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 1nfk_1_A DATA FIRST_RESID 39 DATA SEQUENCE GPYLQILEQP KQRGFRFRYV CEGPSHGGLP GASSEKNKKS YPQVKICNYV DATA SEQUENCE GPAKVIVQLV TNGKNIHLHA HSLVGKHcED GVcTVTAGPK DMVVGFANLG DATA SEQUENCE ILHVTKKKVF ETLEARMTEA CIRGYNPGLL VHSDLAYLQA EGGGDRQLTD DATA SEQUENCE REKEIIRQAA VQQTKEMDLS VVRLMFTAFL PDSTGSFTRR LEPVVSDAIY DATA SEQUENCE DSKAPNASNL KIVRMDRTAG CVTGGEEIYL LCDKVQKDDI QIRFYEEEEN DATA SEQUENCE GGVWEGFGDF SPTDVHRQFA IVFKTPKYKD VNITKPASVF VQLRRKSDLE DATA SEQUENCE TSEPKPFLYY PE 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 39 G HA2 0.000 nan 3.960 nan 0.000 0.244 39 G HA3 0.000 3.968 3.960 0.013 0.000 0.244 39 G C 0.000 174.867 174.900 -0.055 0.000 0.946 39 G CA 0.000 45.069 45.100 -0.052 0.000 0.502 40 P HA 0.016 nan 4.420 nan 0.000 0.267 40 P C -2.015 175.398 177.300 0.189 0.000 1.200 40 P CA 0.153 63.308 63.100 0.092 0.000 0.772 40 P CB 0.486 32.248 31.700 0.103 0.000 0.855 41 Y N -2.135 118.166 120.300 0.002 0.000 2.744 41 Y HA 0.272 nan 4.550 nan 0.000 0.330 41 Y C -2.720 173.159 175.900 -0.034 0.000 1.263 41 Y CA -3.130 54.961 58.100 -0.015 0.000 1.065 41 Y CB 1.204 39.654 38.460 -0.017 0.000 1.306 41 Y HN -0.073 8.335 8.280 0.401 0.113 0.459 42 L N 0.478 121.569 121.223 -0.221 0.000 2.333 42 L HA 0.561 nan 4.340 nan 0.000 0.280 42 L C -1.275 175.253 176.870 -0.571 0.000 1.004 42 L CA -1.474 53.169 54.840 -0.329 0.000 0.820 42 L CB 1.158 43.108 42.059 -0.181 0.000 1.247 42 L HN 0.226 8.379 8.230 -0.128 0.000 0.416 43 Q N 4.331 123.803 119.800 -0.546 0.000 2.359 43 Q HA 0.396 nan 4.340 nan 0.000 0.274 43 Q C -1.698 174.079 176.000 -0.371 0.000 1.074 43 Q CA -2.543 52.959 55.803 -0.503 0.000 0.810 43 Q CB 4.853 33.246 28.738 -0.576 0.000 1.342 43 Q HN 0.533 8.544 8.270 -0.432 0.000 0.427 44 I N 3.069 123.437 120.570 -0.338 0.000 2.337 44 I HA 0.052 nan 4.170 nan 0.000 0.291 44 I C -0.536 175.452 176.117 -0.214 0.000 1.046 44 I CA 0.462 61.562 61.300 -0.334 0.000 1.324 44 I CB -0.245 37.554 38.000 -0.335 0.000 1.409 44 I HN 0.380 8.411 8.210 -0.299 0.000 0.494 45 L N 7.466 128.575 121.223 -0.190 0.000 2.051 45 L HA 0.006 nan 4.340 nan 0.000 0.202 45 L C 0.177 176.979 176.870 -0.113 0.000 1.097 45 L CA 1.762 56.522 54.840 -0.134 0.000 0.762 45 L CB 0.554 42.538 42.059 -0.125 0.000 0.913 45 L HN 0.396 8.388 8.230 -0.219 0.106 0.447 46 E N -1.814 118.320 120.200 -0.110 0.000 2.089 46 E HA 0.004 nan 4.350 nan 0.000 0.284 46 E C -1.137 175.427 176.600 -0.060 0.000 1.023 46 E CA -1.307 55.044 56.400 -0.082 0.000 0.819 46 E CB 0.650 30.295 29.700 -0.091 0.000 1.076 46 E HN -0.670 7.525 8.360 -0.119 0.093 0.396 47 Q N 6.924 126.696 119.800 -0.047 0.000 2.368 47 Q HA 0.287 nan 4.340 nan 0.000 0.237 47 Q C -1.958 174.045 176.000 0.005 0.000 0.987 47 Q CA -2.784 53.006 55.803 -0.022 0.000 0.896 47 Q CB 0.728 29.452 28.738 -0.022 0.000 1.241 47 Q HN 0.275 8.515 8.270 -0.050 0.000 0.485 48 P HA 0.097 nan 4.420 nan 0.000 0.286 48 P C -1.396 175.908 177.300 0.007 0.000 1.261 48 P CA -1.022 62.083 63.100 0.007 0.000 0.821 48 P CB 1.030 32.724 31.700 -0.010 0.000 1.013 49 K N 3.097 123.504 120.400 0.011 0.000 2.401 49 K HA -0.174 nan 4.320 nan 0.000 0.278 49 K C 0.331 176.968 176.600 0.063 0.000 1.018 49 K CA 0.456 56.766 56.287 0.038 0.000 0.981 49 K CB 0.600 33.128 32.500 0.047 0.000 0.933 49 K HN -0.088 8.161 8.250 -0.002 0.000 0.477 50 Q N 2.870 122.723 119.800 0.089 0.000 2.062 50 Q HA -0.156 nan 4.340 nan 0.000 0.196 50 Q C 0.430 176.564 176.000 0.223 0.000 0.967 50 Q CA 3.089 58.980 55.803 0.146 0.000 0.832 50 Q CB 0.744 29.603 28.738 0.202 0.000 0.899 50 Q HN 0.286 8.603 8.270 0.078 0.000 0.442 51 R N -2.415 118.191 120.500 0.176 0.000 2.787 51 R HA 0.212 nan 4.340 nan 0.000 0.271 51 R C 0.238 176.615 176.300 0.130 0.000 0.993 51 R CA -0.647 55.545 56.100 0.153 0.000 0.993 51 R CB 1.571 31.925 30.300 0.090 0.000 1.155 51 R HN -0.401 7.949 8.270 0.134 0.000 0.486 52 G N 0.511 109.378 108.800 0.111 0.000 2.218 52 G HA2 -0.356 nan 3.960 nan 0.000 0.216 52 G HA3 -0.356 nan 3.960 nan 0.000 0.216 52 G C -1.212 173.785 174.900 0.162 0.000 0.994 52 G CA -0.218 44.949 45.100 0.110 0.000 0.637 52 G HN 0.615 8.959 8.290 0.090 0.000 0.505 53 F N 3.466 123.448 119.950 0.053 0.000 2.421 53 F HA 0.248 nan 4.527 nan 0.000 0.337 53 F C -2.119 173.721 175.800 0.066 0.000 1.105 53 F CA -2.170 55.880 58.000 0.083 0.000 1.049 53 F CB 2.549 41.627 39.000 0.131 0.000 1.139 53 F HN -0.419 8.061 8.300 0.299 0.000 0.479 54 R N 4.981 125.084 120.500 -0.661 0.000 2.346 54 R HA 0.404 nan 4.340 nan 0.000 0.311 54 R C -1.199 174.921 176.300 -0.300 0.000 0.983 54 R CA -1.660 54.191 56.100 -0.415 0.000 0.880 54 R CB 1.072 31.210 30.300 -0.271 0.000 1.100 54 R HN 0.123 7.813 8.270 -0.967 0.000 0.453 55 F N 3.262 123.070 119.950 -0.236 0.000 2.471 55 F HA 0.027 nan 4.527 nan 0.000 0.353 55 F C 0.567 176.247 175.800 -0.200 0.000 1.113 55 F CA -1.502 56.391 58.000 -0.178 0.000 1.262 55 F CB -0.065 38.847 39.000 -0.148 0.000 1.146 55 F HN 0.077 8.633 8.300 -0.130 -0.334 0.578 56 R N -0.234 120.261 120.500 -0.008 0.000 2.604 56 R HA 0.385 nan 4.340 nan 0.000 0.287 56 R C -1.490 174.758 176.300 -0.086 0.000 0.970 56 R CA -2.589 53.492 56.100 -0.032 0.000 0.946 56 R CB 2.707 32.999 30.300 -0.013 0.000 1.127 56 R HN 0.216 8.477 8.270 -0.015 0.000 0.473 57 Y N -0.026 120.271 120.300 -0.004 0.000 2.354 57 Y HA 0.128 nan 4.550 nan 0.000 0.322 57 Y C 1.781 177.679 175.900 -0.002 0.000 1.253 57 Y CA 0.399 58.496 58.100 -0.006 0.000 1.272 57 Y CB 0.770 39.198 38.460 -0.053 0.000 1.255 57 Y HN 0.092 8.811 8.280 0.240 -0.295 0.500 58 V N 1.565 121.575 119.914 0.160 0.000 2.317 58 V HA -0.479 nan 4.120 nan 0.000 0.251 58 V C 1.969 178.110 176.094 0.078 0.000 1.065 58 V CA 3.954 66.309 62.300 0.092 0.000 1.049 58 V CB -1.307 30.566 31.823 0.082 0.000 0.651 58 V HN 0.838 9.142 8.190 0.189 0.000 0.450 59 C N -4.207 115.147 119.300 0.089 0.000 2.422 59 C HA -0.226 nan 4.460 nan 0.000 0.279 59 C C 1.362 176.373 174.990 0.036 0.000 1.305 59 C CA 1.472 60.518 59.018 0.047 0.000 1.757 59 C CB -1.606 26.144 27.740 0.017 0.000 1.962 59 C HN -0.082 8.206 8.230 0.128 0.019 0.499 60 E N 0.668 120.902 120.200 0.057 0.000 2.204 60 E HA -0.192 nan 4.350 nan 0.000 0.194 60 E C 0.317 176.925 176.600 0.013 0.000 0.989 60 E CA 0.609 57.027 56.400 0.031 0.000 0.824 60 E CB 0.248 29.977 29.700 0.048 0.000 0.756 60 E HN -0.179 8.097 8.360 0.101 0.144 0.477 61 G N -0.704 108.112 108.800 0.027 0.000 2.592 61 G HA2 -0.147 nan 3.960 nan 0.000 0.684 61 G HA3 -0.147 nan 3.960 nan 0.000 0.684 61 G C -2.975 171.948 174.900 0.037 0.000 1.291 61 G CA -1.164 43.953 45.100 0.028 0.000 0.891 61 G HN -0.792 7.496 8.290 0.038 0.025 0.544 62 P HA 0.101 nan 4.420 nan 0.000 0.272 62 P C -1.165 176.200 177.300 0.108 0.000 1.240 62 P CA -0.518 62.631 63.100 0.082 0.000 0.791 62 P CB 0.940 32.697 31.700 0.094 0.000 0.978 63 S N -0.990 114.782 115.700 0.120 0.000 2.584 63 S HA 0.009 nan 4.470 nan 0.000 0.273 63 S C 0.111 174.872 174.600 0.269 0.000 1.311 63 S CA -0.469 57.813 58.200 0.137 0.000 1.034 63 S CB 0.798 64.100 63.200 0.170 0.000 0.939 63 S HN 0.064 8.440 8.310 0.109 0.000 0.513 64 H N 5.203 124.307 119.070 0.058 0.000 2.726 64 H HA 0.040 nan 4.556 nan 0.000 0.244 64 H C 0.059 175.441 175.328 0.089 0.000 1.669 64 H CA -0.383 55.699 56.048 0.057 0.000 1.293 64 H CB -0.760 29.026 29.762 0.039 0.000 1.640 64 H HN 0.468 8.889 8.280 0.234 0.000 0.553 65 G N 2.368 111.266 108.800 0.162 0.000 2.250 65 G HA2 -0.190 nan 3.960 nan 0.000 0.189 65 G HA3 -0.190 nan 3.960 nan 0.000 0.189 65 G C -2.297 172.692 174.900 0.149 0.000 1.298 65 G CA -0.545 44.634 45.100 0.131 0.000 1.246 65 G HN -0.240 8.128 8.290 0.131 0.000 0.513 66 G N -1.590 107.305 108.800 0.158 0.000 2.495 66 G HA2 0.068 nan 3.960 nan 0.000 0.294 66 G HA3 0.068 nan 3.960 nan 0.000 0.294 66 G C -1.960 172.784 174.900 -0.260 0.000 1.397 66 G CA -0.447 44.681 45.100 0.046 0.000 0.790 66 G HN -0.385 8.006 8.290 0.169 0.000 0.486 67 L N 2.029 122.859 121.223 -0.655 0.000 2.660 67 L HA 0.041 nan 4.340 nan 0.000 0.272 67 L C -1.129 175.557 176.870 -0.307 0.000 1.194 67 L CA -1.138 53.175 54.840 -0.877 0.000 0.945 67 L CB 0.241 41.921 42.059 -0.632 0.000 1.212 67 L HN 0.285 8.104 8.230 -0.489 0.118 0.490 68 P HA 0.260 nan 4.420 nan 0.000 0.278 68 P C -1.266 176.036 177.300 0.003 0.000 1.266 68 P CA -1.031 62.061 63.100 -0.013 0.000 0.807 68 P CB 1.562 33.283 31.700 0.036 0.000 1.094 69 G N -3.198 105.620 108.800 0.031 0.000 2.400 69 G HA2 0.246 nan 3.960 nan 0.000 0.301 69 G HA3 0.246 nan 3.960 nan 0.000 0.301 69 G C 0.321 175.224 174.900 0.005 0.000 1.154 69 G CA -2.019 43.087 45.100 0.009 0.000 0.852 69 G HN 0.151 8.389 8.290 0.049 0.082 0.511 70 A N 5.509 128.329 122.820 -0.000 0.000 1.971 70 A HA -0.302 nan 4.320 nan 0.000 0.222 70 A C 0.812 178.397 177.584 0.002 0.000 1.182 70 A CA 2.799 54.838 52.037 0.004 0.000 0.649 70 A CB -0.035 18.963 19.000 -0.002 0.000 0.818 70 A HN 0.450 8.496 8.150 -0.004 0.101 0.458 71 S N -3.627 112.066 115.700 -0.011 0.000 2.614 71 S HA 0.133 nan 4.470 nan 0.000 0.230 71 S C -0.143 174.452 174.600 -0.008 0.000 0.952 71 S CA -0.685 57.508 58.200 -0.012 0.000 0.949 71 S CB 0.490 63.675 63.200 -0.024 0.000 0.786 71 S HN -0.613 7.877 8.310 -0.021 -0.192 0.478 72 S N 1.631 117.332 115.700 0.002 0.000 2.593 72 S HA 0.001 nan 4.470 nan 0.000 0.269 72 S C -1.295 173.319 174.600 0.022 0.000 1.334 72 S CA 0.061 58.269 58.200 0.013 0.000 1.015 72 S CB 1.070 64.289 63.200 0.032 0.000 0.912 72 S HN -0.085 8.073 8.310 0.007 0.156 0.541 73 E N 1.046 121.262 120.200 0.026 0.000 2.401 73 E HA 0.073 nan 4.350 nan 0.000 0.280 73 E C -0.744 175.876 176.600 0.032 0.000 1.039 73 E CA -1.002 55.414 56.400 0.028 0.000 0.814 73 E CB 2.483 32.194 29.700 0.018 0.000 1.275 73 E HN -0.406 7.969 8.360 0.025 0.000 0.448 74 K N 2.180 122.600 120.400 0.034 0.000 2.103 74 K HA -0.369 nan 4.320 nan 0.000 0.207 74 K C 1.454 178.072 176.600 0.029 0.000 1.048 74 K CA 3.514 59.822 56.287 0.035 0.000 0.930 74 K CB -0.302 32.218 32.500 0.034 0.000 0.716 74 K HN 0.548 8.818 8.250 0.034 0.000 0.444 75 N N -1.738 116.976 118.700 0.023 0.000 2.205 75 N HA -0.238 nan 4.740 nan 0.000 0.186 75 N C 0.452 175.972 175.510 0.017 0.000 1.015 75 N CA 2.159 55.221 53.050 0.019 0.000 0.862 75 N CB 0.359 38.855 38.487 0.015 0.000 0.986 75 N HN -0.519 8.099 8.380 0.022 -0.225 0.429 76 K N -1.619 118.791 120.400 0.018 0.000 2.690 76 K HA 0.083 nan 4.320 nan 0.000 0.305 76 K C -1.539 175.071 176.600 0.016 0.000 1.200 76 K CA -0.255 56.041 56.287 0.015 0.000 1.071 76 K CB 2.143 34.645 32.500 0.003 0.000 1.366 76 K HN -0.531 7.602 8.250 0.019 0.128 0.513 77 K N 3.302 123.723 120.400 0.034 0.000 2.156 77 K HA -0.084 nan 4.320 nan 0.000 0.242 77 K C -1.072 175.549 176.600 0.035 0.000 1.033 77 K CA 1.145 57.464 56.287 0.052 0.000 0.878 77 K CB 0.684 33.236 32.500 0.088 0.000 1.057 77 K HN 0.455 8.729 8.250 0.041 0.000 0.505 78 S N -2.414 113.318 115.700 0.054 0.000 2.595 78 S HA 0.262 nan 4.470 nan 0.000 0.270 78 S C -1.984 172.666 174.600 0.082 0.000 1.145 78 S CA -1.175 56.998 58.200 -0.045 0.000 0.825 78 S CB 2.446 65.557 63.200 -0.147 0.000 1.107 78 S HN -0.101 8.263 8.310 0.089 0.000 0.461 79 Y N -4.512 115.788 120.300 0.000 0.000 2.602 79 Y HA 0.556 nan 4.550 nan 0.000 0.342 79 Y C -2.824 173.096 175.900 0.032 0.000 1.029 79 Y CA -3.483 54.623 58.100 0.010 0.000 1.080 79 Y CB -0.222 38.250 38.460 0.020 0.000 1.284 79 Y HN 0.146 7.981 8.280 -0.743 0.000 0.485 80 P HA 0.044 nan 4.420 nan 0.000 0.267 80 P C -2.288 175.154 177.300 0.238 0.000 1.200 80 P CA 0.196 63.404 63.100 0.181 0.000 0.772 80 P CB 0.426 32.266 31.700 0.233 0.000 0.855 81 Q N -0.860 118.994 119.800 0.089 0.000 2.391 81 Q HA 0.832 nan 4.340 nan 0.000 0.279 81 Q C -1.888 174.036 176.000 -0.126 0.000 1.028 81 Q CA -0.674 55.140 55.803 0.019 0.000 0.836 81 Q CB 4.469 33.162 28.738 -0.075 0.000 1.414 81 Q HN 0.434 8.605 8.270 0.011 0.105 0.397 82 V N -2.621 117.212 119.914 -0.136 0.000 3.114 82 V HA 0.908 nan 4.120 nan 0.000 0.308 82 V C -2.968 173.020 176.094 -0.177 0.000 1.168 82 V CA -2.637 59.516 62.300 -0.244 0.000 1.015 82 V CB 3.965 35.542 31.823 -0.411 0.000 1.050 82 V HN 0.865 9.013 8.190 -0.070 0.000 0.433 83 K N 0.342 120.626 120.400 -0.195 0.000 2.498 83 K HA 0.811 nan 4.320 nan 0.000 0.254 83 K C -1.966 174.536 176.600 -0.162 0.000 0.933 83 K CA -1.565 54.627 56.287 -0.158 0.000 0.806 83 K CB 4.626 37.047 32.500 -0.133 0.000 1.301 83 K HN 0.543 8.649 8.250 -0.240 0.000 0.432 84 I N 4.748 125.240 120.570 -0.130 0.000 2.301 84 I HA 0.213 nan 4.170 nan 0.000 0.292 84 I C -0.468 175.631 176.117 -0.031 0.000 1.046 84 I CA -0.852 60.395 61.300 -0.088 0.000 1.282 84 I CB -0.000 37.954 38.000 -0.076 0.000 1.409 84 I HN -0.055 8.072 8.210 -0.139 0.000 0.484 85 C N 9.107 128.446 119.300 0.065 0.000 2.534 85 C HA 0.011 nan 4.460 nan 0.000 0.385 85 C C 0.110 175.212 174.990 0.188 0.000 1.264 85 C CA 0.713 59.842 59.018 0.184 0.000 2.342 85 C CB 0.107 28.120 27.740 0.456 0.000 2.564 85 C HN 0.973 9.128 8.230 0.031 0.093 0.603 86 N N -0.301 118.497 118.700 0.164 0.000 2.747 86 N HA -0.400 nan 4.740 nan 0.000 0.249 86 N C -0.466 175.184 175.510 0.232 0.000 1.107 86 N CA 1.266 54.411 53.050 0.158 0.000 0.707 86 N CB -1.923 36.623 38.487 0.098 0.000 1.054 86 N HN 0.611 9.082 8.380 0.152 0.000 0.555 87 Y N -3.488 116.843 120.300 0.051 0.000 2.662 87 Y HA -0.631 nan 4.550 nan 0.000 0.485 87 Y C 0.438 176.372 175.900 0.057 0.000 0.993 87 Y CA 2.905 61.033 58.100 0.046 0.000 3.171 87 Y CB -0.430 38.052 38.460 0.037 0.000 0.961 87 Y HN -0.352 8.013 8.280 0.207 0.039 0.582 88 V N -4.800 115.306 119.914 0.320 0.000 5.691 88 V HA -0.294 nan 4.120 nan 0.000 0.288 88 V C -0.400 175.832 176.094 0.231 0.000 0.615 88 V CA 0.038 62.465 62.300 0.211 0.000 0.619 88 V CB -1.985 29.928 31.823 0.150 0.000 0.296 88 V HN 0.001 8.338 8.190 0.306 0.037 0.834 89 G N -1.107 107.881 108.800 0.313 0.000 2.880 89 G HA2 -0.214 nan 3.960 nan 0.000 0.686 89 G HA3 -0.214 nan 3.960 nan 0.000 0.686 89 G C -1.545 173.514 174.900 0.265 0.000 1.505 89 G CA 0.124 45.396 45.100 0.287 0.000 1.057 89 G HN 0.363 8.887 8.290 0.390 0.000 0.599 90 P HA -0.153 nan 4.420 nan 0.000 0.258 90 P C -1.466 176.007 177.300 0.288 0.000 1.187 90 P CA 0.826 64.039 63.100 0.189 0.000 0.767 90 P CB 0.094 31.916 31.700 0.203 0.000 0.770 91 A N 4.511 127.383 122.820 0.086 0.000 3.200 91 A HA 0.589 nan 4.320 nan 0.000 0.208 91 A C -1.727 175.605 177.584 -0.419 0.000 1.360 91 A CA -1.403 50.609 52.037 -0.043 0.000 0.892 91 A CB 3.054 22.095 19.000 0.069 0.000 1.600 91 A HN 0.208 8.366 8.150 0.014 0.000 0.501 92 K N -3.224 116.980 120.400 -0.326 0.000 2.498 92 K HA 0.697 nan 4.320 nan 0.000 0.254 92 K C -1.958 174.627 176.600 -0.025 0.000 0.933 92 K CA -0.622 55.517 56.287 -0.247 0.000 0.806 92 K CB 4.710 37.001 32.500 -0.348 0.000 1.301 92 K HN -0.309 7.861 8.250 -0.133 0.000 0.432 93 V N 1.991 121.912 119.914 0.012 0.000 2.540 93 V HA 0.882 nan 4.120 nan 0.000 0.302 93 V C -1.246 174.919 176.094 0.119 0.000 1.035 93 V CA -1.476 60.869 62.300 0.074 0.000 0.873 93 V CB 2.130 34.046 31.823 0.155 0.000 0.992 93 V HN 1.124 9.195 8.190 -0.009 0.113 0.428 94 I N 2.237 122.843 120.570 0.061 0.000 2.493 94 I HA 0.873 nan 4.170 nan 0.000 0.298 94 I C -1.739 174.298 176.117 -0.134 0.000 0.998 94 I CA -1.883 59.407 61.300 -0.017 0.000 1.137 94 I CB 2.320 40.285 38.000 -0.058 0.000 1.310 94 I HN 0.802 9.016 8.210 0.007 0.000 0.445 95 V N 3.540 123.302 119.914 -0.254 0.000 2.715 95 V HA 0.700 nan 4.120 nan 0.000 0.310 95 V C -1.155 174.685 176.094 -0.423 0.000 1.054 95 V CA -1.686 60.307 62.300 -0.512 0.000 0.928 95 V CB 1.490 32.859 31.823 -0.757 0.000 1.007 95 V HN 0.149 8.225 8.190 -0.190 0.000 0.437 96 Q N 0.997 120.531 119.800 -0.445 0.000 2.462 96 Q HA 0.705 nan 4.340 nan 0.000 0.285 96 Q C -1.586 174.220 176.000 -0.323 0.000 1.035 96 Q CA -1.571 54.034 55.803 -0.329 0.000 0.799 96 Q CB 4.738 33.318 28.738 -0.263 0.000 1.452 96 Q HN 0.417 8.362 8.270 -0.542 0.000 0.404 97 L N 2.242 123.318 121.223 -0.245 0.000 2.260 97 L HA 0.602 nan 4.340 nan 0.000 0.289 97 L C -1.400 175.395 176.870 -0.126 0.000 1.057 97 L CA -0.419 54.282 54.840 -0.232 0.000 0.811 97 L CB 0.158 42.074 42.059 -0.238 0.000 1.184 97 L HN 0.600 8.707 8.230 -0.205 0.000 0.429 98 V N -1.209 118.626 119.914 -0.131 0.000 3.103 98 V HA 0.834 nan 4.120 nan 0.000 0.318 98 V C -0.433 175.669 176.094 0.013 0.000 1.114 98 V CA -3.448 58.825 62.300 -0.044 0.000 1.020 98 V CB 3.167 34.946 31.823 -0.074 0.000 1.085 98 V HN 0.386 8.461 8.190 -0.192 0.000 0.446 99 T N -2.276 112.322 114.554 0.073 0.000 2.788 99 T HA 0.141 nan 4.350 nan 0.000 0.280 99 T C -0.506 174.196 174.700 0.004 0.000 0.984 99 T CA -0.919 61.248 62.100 0.112 0.000 0.972 99 T CB 1.012 69.924 68.868 0.075 0.000 1.039 99 T HN -0.128 8.138 8.240 0.044 0.000 0.530 100 N N 1.155 119.860 118.700 0.009 0.000 2.839 100 N HA 0.113 nan 4.740 nan 0.000 0.314 100 N C -0.600 174.904 175.510 -0.010 0.000 1.449 100 N CA -0.498 52.541 53.050 -0.019 0.000 1.050 100 N CB -0.615 37.857 38.487 -0.025 0.000 1.364 100 N HN 0.390 8.800 8.380 0.051 0.000 0.512 101 G N -0.225 108.555 108.800 -0.034 0.000 3.075 101 G HA2 0.266 nan 3.960 nan 0.000 0.253 101 G HA3 0.266 nan 3.960 nan 0.000 0.253 101 G C -0.487 174.373 174.900 -0.067 0.000 1.353 101 G CA -0.920 44.156 45.100 -0.040 0.000 1.051 101 G HN -0.571 7.627 8.290 -0.051 0.061 0.553 102 K N -1.620 118.741 120.400 -0.066 0.000 2.147 102 K HA -0.109 nan 4.320 nan 0.000 0.205 102 K C 0.011 176.540 176.600 -0.118 0.000 1.049 102 K CA 1.013 57.258 56.287 -0.072 0.000 0.936 102 K CB 0.176 32.645 32.500 -0.052 0.000 0.722 102 K HN 0.241 8.460 8.250 -0.051 0.000 0.446 103 N N -4.068 114.510 118.700 -0.204 0.000 2.540 103 N HA 0.105 nan 4.740 nan 0.000 0.275 103 N C -1.390 173.811 175.510 -0.514 0.000 1.053 103 N CA -1.180 51.674 53.050 -0.327 0.000 0.876 103 N CB 0.912 39.178 38.487 -0.370 0.000 1.284 103 N HN -0.464 7.773 8.380 -0.205 0.019 0.518 104 I N -3.251 117.133 120.570 -0.311 0.000 2.664 104 I HA -0.116 nan 4.170 nan 0.000 0.284 104 I C -0.666 175.314 176.117 -0.228 0.000 1.154 104 I CA 0.536 61.700 61.300 -0.228 0.000 1.402 104 I CB -0.354 37.575 38.000 -0.119 0.000 1.395 104 I HN 0.219 8.299 8.210 -0.216 0.000 0.545 105 H N 6.092 125.130 119.070 -0.053 0.000 2.960 105 H HA 0.471 nan 4.556 nan 0.000 0.302 105 H C -1.096 174.197 175.328 -0.060 0.000 1.515 105 H CA -2.500 53.511 56.048 -0.061 0.000 1.431 105 H CB 3.235 32.952 29.762 -0.075 0.000 1.890 105 H HN -0.355 7.898 8.280 -0.045 0.000 0.762 106 L N -1.025 120.250 121.223 0.087 0.000 2.395 106 L HA -0.046 nan 4.340 nan 0.000 0.269 106 L C -0.576 176.278 176.870 -0.028 0.000 1.133 106 L CA -0.460 54.384 54.840 0.008 0.000 0.812 106 L CB 0.866 42.910 42.059 -0.024 0.000 1.125 106 L HN -0.153 8.129 8.230 0.086 0.000 0.452 107 H N 2.345 121.350 119.070 -0.108 0.000 2.508 107 H HA 0.102 nan 4.556 nan 0.000 0.344 107 H C -0.791 174.444 175.328 -0.154 0.000 1.192 107 H CA -0.213 55.739 56.048 -0.160 0.000 1.290 107 H CB 3.203 32.837 29.762 -0.214 0.000 1.571 107 H HN 0.245 8.552 8.280 0.046 0.000 0.555 108 A N 1.152 123.818 122.820 -0.257 0.000 2.275 108 A HA 0.150 nan 4.320 nan 0.000 0.212 108 A C -0.955 176.687 177.584 0.098 0.000 1.201 108 A CA 0.295 52.280 52.037 -0.087 0.000 0.843 108 A CB 1.252 20.176 19.000 -0.128 0.000 0.873 108 A HN 0.048 7.757 8.150 -0.736 0.000 0.492 109 H N -1.820 117.344 119.070 0.157 0.000 2.509 109 H HA 0.099 nan 4.556 nan 0.000 0.359 109 H C -0.656 174.614 175.328 -0.096 0.000 1.253 109 H CA -1.480 54.548 56.048 -0.033 0.000 1.373 109 H CB 1.944 31.577 29.762 -0.215 0.000 1.555 109 H HN -0.319 8.125 8.280 0.375 0.062 0.586 110 S N -0.502 115.195 115.700 -0.004 0.000 2.538 110 S HA 0.260 nan 4.470 nan 0.000 0.288 110 S C -1.664 172.865 174.600 -0.117 0.000 1.108 110 S CA -0.577 57.584 58.200 -0.064 0.000 0.971 110 S CB 2.222 65.400 63.200 -0.036 0.000 1.041 110 S HN 0.111 8.404 8.310 -0.029 0.000 0.483 111 L N 4.962 126.103 121.223 -0.137 0.000 2.367 111 L HA 0.379 nan 4.340 nan 0.000 0.275 111 L C -1.362 175.454 176.870 -0.090 0.000 1.129 111 L CA -0.243 54.510 54.840 -0.145 0.000 0.839 111 L CB -0.013 41.935 42.059 -0.185 0.000 1.133 111 L HN 0.170 8.317 8.230 -0.139 0.000 0.453 112 V N 2.553 122.428 119.914 -0.065 0.000 2.769 112 V HA 0.416 nan 4.120 nan 0.000 0.312 112 V C -1.120 174.954 176.094 -0.032 0.000 1.061 112 V CA -1.912 60.366 62.300 -0.037 0.000 0.931 112 V CB 2.636 34.447 31.823 -0.020 0.000 1.010 112 V HN 0.630 8.663 8.190 -0.067 0.116 0.433 113 G N 3.417 112.197 108.800 -0.033 0.000 2.323 113 G HA2 0.082 nan 3.960 nan 0.000 0.291 113 G HA3 0.082 nan 3.960 nan 0.000 0.291 113 G C -0.524 174.328 174.900 -0.080 0.000 1.278 113 G CA 0.529 45.599 45.100 -0.051 0.000 0.860 113 G HN -0.387 7.885 8.290 -0.030 0.000 0.504 114 K N 1.564 121.868 120.400 -0.159 0.000 2.031 114 K HA -0.165 nan 4.320 nan 0.000 0.205 114 K C 0.442 176.890 176.600 -0.253 0.000 1.049 114 K CA 2.024 58.154 56.287 -0.260 0.000 0.939 114 K CB 0.383 32.616 32.500 -0.445 0.000 0.717 114 K HN 0.638 8.788 8.250 -0.167 0.000 0.438 115 H N -2.203 116.871 119.070 0.007 0.000 2.640 115 H HA 0.178 nan 4.556 nan 0.000 0.312 115 H C -1.828 173.508 175.328 0.014 0.000 1.110 115 H CA -1.500 54.555 56.048 0.013 0.000 1.098 115 H CB -0.904 28.870 29.762 0.019 0.000 1.485 115 H HN -0.188 7.935 8.280 -0.262 0.000 0.526 116 c N -1.004 117.631 118.600 0.058 0.000 2.382 116 c HA 0.465 nan 4.570 nan 0.000 0.327 116 c C -1.257 172.845 174.090 0.019 0.000 1.250 116 c CA -1.406 54.938 56.329 0.025 0.000 1.707 116 c CB 1.234 43.738 42.510 -0.010 0.000 2.272 116 c HN -0.506 7.643 8.230 0.015 0.090 0.506 117 E N 2.791 123.000 120.200 0.015 0.000 2.313 117 E HA 0.173 nan 4.350 nan 0.000 0.280 117 E C -0.883 175.729 176.600 0.018 0.000 0.898 117 E CA -1.042 55.372 56.400 0.023 0.000 0.803 117 E CB 1.730 31.456 29.700 0.044 0.000 1.286 117 E HN 0.956 9.207 8.360 0.003 0.111 0.401 118 D N 4.088 124.496 120.400 0.014 0.000 2.746 118 D HA -0.368 nan 4.640 nan 0.000 0.236 118 D C 0.093 176.388 176.300 -0.008 0.000 1.129 118 D CA 1.150 55.158 54.000 0.014 0.000 0.691 118 D CB -1.047 39.775 40.800 0.038 0.000 1.077 118 D HN 0.721 9.098 8.370 0.012 0.000 0.432 119 G N -6.554 102.228 108.800 -0.030 0.000 2.212 119 G HA2 -0.484 nan 3.960 nan 0.000 0.266 119 G HA3 -0.484 nan 3.960 nan 0.000 0.266 119 G C -0.897 173.939 174.900 -0.106 0.000 0.978 119 G CA 0.676 45.739 45.100 -0.062 0.000 0.632 119 G HN 0.373 8.648 8.290 -0.025 0.000 0.537 120 V N 0.789 120.641 119.914 -0.104 0.000 2.459 120 V HA 0.395 nan 4.120 nan 0.000 0.295 120 V C -1.268 174.757 176.094 -0.115 0.000 1.029 120 V CA -1.429 60.764 62.300 -0.178 0.000 0.874 120 V CB 1.992 33.645 31.823 -0.283 0.000 0.985 120 V HN -0.777 7.188 8.190 -0.060 0.190 0.438 121 c N 8.067 126.592 118.600 -0.124 0.000 2.366 121 c HA 0.791 nan 4.570 nan 0.000 0.345 121 c C -0.800 173.294 174.090 0.008 0.000 1.209 121 c CA -1.587 54.728 56.329 -0.025 0.000 2.050 121 c CB 1.939 44.440 42.510 -0.015 0.000 2.359 121 c HN 0.378 8.494 8.230 -0.190 0.000 0.527 122 T N 5.197 119.800 114.554 0.082 0.000 3.031 122 T HA 0.516 nan 4.350 nan 0.000 0.305 122 T C -1.838 172.895 174.700 0.055 0.000 0.985 122 T CA 0.226 62.368 62.100 0.071 0.000 1.008 122 T CB 1.668 70.570 68.868 0.056 0.000 1.005 122 T HN 0.717 9.042 8.240 0.122 -0.011 0.444 123 V N 5.717 125.657 119.914 0.044 0.000 2.914 123 V HA 0.638 nan 4.120 nan 0.000 0.314 123 V C -2.180 173.842 176.094 -0.121 0.000 1.084 123 V CA -2.192 60.061 62.300 -0.077 0.000 0.963 123 V CB 4.391 36.212 31.823 -0.004 0.000 1.025 123 V HN 0.884 9.129 8.190 0.092 0.000 0.432 124 T N 2.395 116.833 114.554 -0.193 0.000 2.867 124 T HA 0.569 nan 4.350 nan 0.000 0.282 124 T C -1.173 173.432 174.700 -0.159 0.000 1.000 124 T CA -2.510 59.473 62.100 -0.194 0.000 1.042 124 T CB 1.347 70.096 68.868 -0.199 0.000 0.973 124 T HN 0.034 8.124 8.240 -0.249 0.000 0.465 125 A N 4.287 127.016 122.820 -0.151 0.000 2.391 125 A HA 0.266 nan 4.320 nan 0.000 0.316 125 A C -0.202 177.331 177.584 -0.086 0.000 1.381 125 A CA -1.151 50.813 52.037 -0.120 0.000 0.998 125 A CB 0.190 19.123 19.000 -0.111 0.000 1.147 125 A HN 0.307 8.218 8.150 -0.190 0.125 0.545 126 G N 2.988 111.743 108.800 -0.076 0.000 2.720 126 G HA2 -0.070 nan 3.960 nan 0.000 0.237 126 G HA3 -0.070 nan 3.960 nan 0.000 0.237 126 G C -0.660 174.232 174.900 -0.012 0.000 1.239 126 G CA -1.721 43.358 45.100 -0.035 0.000 0.847 126 G HN -0.243 7.992 8.290 -0.092 0.000 0.593 127 P HA -0.238 nan 4.420 nan 0.000 0.215 127 P C 1.155 178.530 177.300 0.125 0.000 1.163 127 P CA 2.404 65.563 63.100 0.098 0.000 0.894 127 P CB 0.328 32.084 31.700 0.093 0.000 0.791 128 K N -3.517 116.929 120.400 0.076 0.000 2.141 128 K HA -0.010 nan 4.320 nan 0.000 0.202 128 K C 0.357 176.944 176.600 -0.022 0.000 1.045 128 K CA 0.975 57.321 56.287 0.098 0.000 0.971 128 K CB 0.158 32.707 32.500 0.081 0.000 0.795 128 K HN -0.179 8.099 8.250 0.046 0.000 0.459 129 D N -0.037 120.329 120.400 -0.058 0.000 2.313 129 D HA 0.042 nan 4.640 nan 0.000 0.239 129 D C -1.007 175.197 176.300 -0.160 0.000 1.142 129 D CA 0.015 53.957 54.000 -0.098 0.000 0.847 129 D CB 0.711 41.473 40.800 -0.063 0.000 1.082 129 D HN -0.337 8.013 8.370 -0.034 0.000 0.480 130 M N 1.999 121.471 119.600 -0.213 0.000 2.549 130 M HA 0.191 nan 4.480 nan 0.000 0.273 130 M C -1.137 175.064 176.300 -0.165 0.000 1.213 130 M CA -2.110 53.050 55.300 -0.232 0.000 0.976 130 M CB -0.512 31.885 32.600 -0.338 0.000 1.457 130 M HN 0.122 8.292 8.290 -0.201 0.000 0.485 131 V N 0.890 120.721 119.914 -0.138 0.000 2.370 131 V HA 0.501 nan 4.120 nan 0.000 0.283 131 V C -0.677 175.331 176.094 -0.143 0.000 1.023 131 V CA -0.842 61.382 62.300 -0.128 0.000 0.857 131 V CB 1.181 32.941 31.823 -0.106 0.000 0.985 131 V HN -0.601 7.549 8.190 -0.130 -0.038 0.443 132 V N 7.185 126.998 119.914 -0.169 0.000 2.384 132 V HA 0.465 nan 4.120 nan 0.000 0.287 132 V C -0.947 174.938 176.094 -0.349 0.000 1.020 132 V CA -2.053 60.084 62.300 -0.273 0.000 0.850 132 V CB 1.024 32.680 31.823 -0.280 0.000 0.987 132 V HN 1.054 9.153 8.190 -0.151 0.000 0.436 133 G N 4.013 112.599 108.800 -0.357 0.000 2.417 133 G HA2 0.751 nan 3.960 nan 0.000 0.334 133 G HA3 0.751 nan 3.960 nan 0.000 0.334 133 G C -1.331 173.330 174.900 -0.398 0.000 1.150 133 G CA -1.241 43.755 45.100 -0.173 0.000 0.923 133 G HN 0.051 8.151 8.290 -0.316 0.000 0.485 134 F N 2.090 122.177 119.950 0.228 0.000 2.564 134 F HA 0.091 nan 4.527 nan 0.000 0.361 134 F C -1.496 174.327 175.800 0.039 0.000 1.161 134 F CA -1.131 56.939 58.000 0.116 0.000 1.198 134 F CB 0.677 39.749 39.000 0.120 0.000 1.424 134 F HN 0.394 8.962 8.300 0.447 0.000 0.517 135 A N 1.142 123.890 122.820 -0.120 0.000 2.306 135 A HA 0.201 nan 4.320 nan 0.000 0.314 135 A C -0.360 177.083 177.584 -0.234 0.000 1.164 135 A CA -0.572 51.171 52.037 -0.490 0.000 0.822 135 A CB 1.689 19.885 19.000 -1.340 0.000 1.130 135 A HN -0.095 7.951 8.150 -0.173 0.000 0.496 136 N N -1.389 117.208 118.700 -0.170 0.000 2.806 136 N HA -0.299 nan 4.740 nan 0.000 0.248 136 N C -1.690 173.788 175.510 -0.053 0.000 1.081 136 N CA 0.408 53.401 53.050 -0.096 0.000 0.680 136 N CB -0.545 37.870 38.487 -0.119 0.000 0.941 136 N HN 0.286 8.566 8.380 -0.166 0.000 0.554 137 L N -0.435 120.756 121.223 -0.054 0.000 2.280 137 L HA 0.275 nan 4.340 nan 0.000 0.287 137 L C -0.831 176.006 176.870 -0.055 0.000 1.023 137 L CA -0.992 53.812 54.840 -0.059 0.000 0.819 137 L CB 1.795 43.804 42.059 -0.084 0.000 1.212 137 L HN -0.186 7.998 8.230 -0.077 0.000 0.420 138 G N 4.534 113.339 108.800 0.008 0.000 2.434 138 G HA2 0.483 nan 3.960 nan 0.000 0.330 138 G HA3 0.483 nan 3.960 nan 0.000 0.330 138 G C -2.234 172.683 174.900 0.028 0.000 1.155 138 G CA -1.663 43.505 45.100 0.114 0.000 0.917 138 G HN 0.718 9.001 8.290 -0.012 0.000 0.493 139 I N 1.283 121.898 120.570 0.076 0.000 2.406 139 I HA 0.356 nan 4.170 nan 0.000 0.290 139 I C -1.633 174.380 176.117 -0.174 0.000 0.999 139 I CA -1.125 60.073 61.300 -0.170 0.000 1.124 139 I CB 2.868 40.592 38.000 -0.460 0.000 1.289 139 I HN 0.199 8.573 8.210 0.273 0.000 0.441 140 L N 7.617 128.721 121.223 -0.197 0.000 2.282 140 L HA 0.486 nan 4.340 nan 0.000 0.288 140 L C -1.945 174.730 176.870 -0.325 0.000 1.033 140 L CA -1.366 53.374 54.840 -0.167 0.000 0.807 140 L CB 2.029 44.041 42.059 -0.079 0.000 1.209 140 L HN 0.705 8.703 8.230 -0.190 0.118 0.423 141 H N 8.500 127.255 119.070 -0.525 0.000 2.604 141 H HA 0.336 nan 4.556 nan 0.000 0.306 141 H C -1.271 173.760 175.328 -0.496 0.000 1.075 141 H CA -1.001 54.511 56.048 -0.892 0.000 1.357 141 H CB 1.161 30.278 29.762 -1.075 0.000 1.426 141 H HN 1.001 9.034 8.280 -0.234 0.106 0.470 142 V N 1.563 121.535 119.914 0.096 0.000 2.904 142 V HA 0.341 nan 4.120 nan 0.000 0.305 142 V C -0.763 175.616 176.094 0.475 0.000 1.067 142 V CA -1.912 60.569 62.300 0.302 0.000 1.044 142 V CB 0.975 32.959 31.823 0.267 0.000 1.050 142 V HN -0.564 7.667 8.190 0.069 0.000 0.475 143 T N -3.878 110.900 114.554 0.374 0.000 2.882 143 T HA 0.172 nan 4.350 nan 0.000 0.287 143 T C 0.350 175.201 174.700 0.252 0.000 1.014 143 T CA -0.831 61.471 62.100 0.336 0.000 1.049 143 T CB 1.004 70.000 68.868 0.214 0.000 1.001 143 T HN -0.130 8.285 8.240 0.292 0.000 0.525 144 K N -0.226 120.299 120.400 0.210 0.000 2.280 144 K HA -0.214 nan 4.320 nan 0.000 0.202 144 K C 2.418 179.091 176.600 0.121 0.000 1.047 144 K CA 2.433 58.814 56.287 0.157 0.000 0.942 144 K CB -0.140 32.436 32.500 0.126 0.000 0.739 144 K HN 0.368 8.738 8.250 0.200 0.000 0.457 145 K N -0.699 119.768 120.400 0.112 0.000 2.001 145 K HA -0.186 nan 4.320 nan 0.000 0.208 145 K C 1.587 178.251 176.600 0.107 0.000 1.048 145 K CA 1.987 58.327 56.287 0.089 0.000 0.932 145 K CB -0.455 32.089 32.500 0.073 0.000 0.715 145 K HN -0.081 8.209 8.250 0.118 0.031 0.437 146 K N -1.067 119.405 120.400 0.121 0.000 2.589 146 K HA 0.049 nan 4.320 nan 0.000 0.204 146 K C 1.073 177.747 176.600 0.123 0.000 1.029 146 K CA 0.010 56.370 56.287 0.122 0.000 1.177 146 K CB -0.419 32.149 32.500 0.113 0.000 0.902 146 K HN -0.714 7.614 8.250 0.130 0.000 0.501 147 V N 0.908 120.899 119.914 0.129 0.000 2.231 147 V HA -0.386 nan 4.120 nan 0.000 0.240 147 V C 1.232 177.382 176.094 0.093 0.000 1.039 147 V CA 4.823 67.180 62.300 0.095 0.000 0.998 147 V CB -0.495 31.374 31.823 0.076 0.000 0.639 147 V HN -0.685 7.504 8.190 0.134 0.082 0.451 148 F N 0.167 120.115 119.950 -0.005 0.000 2.087 148 F HA -0.562 nan 4.527 nan 0.000 0.299 148 F C 0.982 176.778 175.800 -0.007 0.000 1.100 148 F CA 4.157 62.149 58.000 -0.013 0.000 1.226 148 F CB -0.020 38.976 39.000 -0.007 0.000 0.983 148 F HN -0.151 8.312 8.300 0.271 0.000 0.479 149 E N -1.441 118.883 120.200 0.207 0.000 2.021 149 E HA -0.524 nan 4.350 nan 0.000 0.200 149 E C 2.108 178.676 176.600 -0.054 0.000 1.015 149 E CA 3.630 60.086 56.400 0.094 0.000 0.824 149 E CB -0.130 29.656 29.700 0.144 0.000 0.762 149 E HN 0.314 8.865 8.360 0.330 0.006 0.454 150 T N 2.576 117.121 114.554 -0.015 0.000 2.720 150 T HA -0.253 nan 4.350 nan 0.000 0.268 150 T C 2.306 176.954 174.700 -0.088 0.000 1.037 150 T CA 4.496 66.579 62.100 -0.029 0.000 1.144 150 T CB -0.547 68.330 68.868 0.016 0.000 0.864 150 T HN -0.407 7.852 8.240 0.033 0.000 0.444 151 L N 1.335 122.477 121.223 -0.134 0.000 1.989 151 L HA -0.496 nan 4.340 nan 0.000 0.211 151 L C 1.257 177.987 176.870 -0.233 0.000 1.071 151 L CA 3.790 58.523 54.840 -0.178 0.000 0.749 151 L CB -0.349 41.587 42.059 -0.204 0.000 0.890 151 L HN 0.449 8.612 8.230 -0.113 0.000 0.431 152 E N -1.345 118.625 120.200 -0.383 0.000 2.097 152 E HA -0.479 nan 4.350 nan 0.000 0.196 152 E C 2.253 178.735 176.600 -0.196 0.000 1.000 152 E CA 3.368 59.541 56.400 -0.379 0.000 0.804 152 E CB -0.103 29.257 29.700 -0.567 0.000 0.740 152 E HN 0.193 8.252 8.360 -0.502 0.000 0.454 153 A N -1.185 121.548 122.820 -0.144 0.000 1.898 153 A HA -0.260 nan 4.320 nan 0.000 0.216 153 A C 2.213 179.765 177.584 -0.053 0.000 1.181 153 A CA 3.201 55.193 52.037 -0.076 0.000 0.620 153 A CB -0.785 18.187 19.000 -0.046 0.000 0.819 153 A HN -0.543 7.510 8.150 -0.161 0.000 0.442 154 R N -1.505 118.960 120.500 -0.057 0.000 2.091 154 R HA -0.341 nan 4.340 nan 0.000 0.238 154 R C 2.819 179.108 176.300 -0.019 0.000 1.136 154 R CA 2.476 58.560 56.100 -0.026 0.000 0.959 154 R CB -0.535 29.742 30.300 -0.039 0.000 0.856 154 R HN -0.033 8.191 8.270 -0.076 0.000 0.437 155 M N -2.028 117.537 119.600 -0.058 0.000 2.296 155 M HA -0.229 nan 4.480 nan 0.000 0.265 155 M C 2.427 178.700 176.300 -0.045 0.000 1.064 155 M CA 4.005 59.273 55.300 -0.053 0.000 1.109 155 M CB -0.363 32.183 32.600 -0.090 0.000 1.396 155 M HN 0.246 8.481 8.290 -0.092 0.000 0.430 156 T N 3.639 118.161 114.554 -0.053 0.000 2.698 156 T HA -0.286 nan 4.350 nan 0.000 0.260 156 T C 1.944 176.623 174.700 -0.035 0.000 1.044 156 T CA 5.262 67.334 62.100 -0.046 0.000 1.149 156 T CB -0.688 68.152 68.868 -0.047 0.000 0.864 156 T HN -0.143 7.941 8.240 -0.066 0.116 0.419 157 E N 0.875 121.066 120.200 -0.015 0.000 2.153 157 E HA -0.314 nan 4.350 nan 0.000 0.194 157 E C 2.059 178.651 176.600 -0.013 0.000 0.988 157 E CA 2.986 59.382 56.400 -0.007 0.000 0.811 157 E CB -0.251 29.475 29.700 0.043 0.000 0.746 157 E HN 0.118 8.470 8.360 -0.012 0.000 0.466 158 A N -0.635 122.221 122.820 0.061 0.000 1.902 158 A HA -0.232 nan 4.320 nan 0.000 0.217 158 A C 2.370 179.938 177.584 -0.027 0.000 1.181 158 A CA 3.349 55.457 52.037 0.118 0.000 0.623 158 A CB -0.790 18.291 19.000 0.134 0.000 0.818 158 A HN 0.241 8.313 8.150 0.056 0.111 0.443 159 C N -1.177 118.095 119.300 -0.045 0.000 2.453 159 C HA -0.247 nan 4.460 nan 0.000 0.277 159 C C 2.387 177.315 174.990 -0.103 0.000 1.262 159 C CA 4.415 63.388 59.018 -0.075 0.000 1.718 159 C CB -1.139 26.557 27.740 -0.073 0.000 2.031 159 C HN -0.452 7.760 8.230 -0.031 0.000 0.480 160 I N -2.982 117.522 120.570 -0.109 0.000 2.353 160 I HA -0.283 nan 4.170 nan 0.000 0.248 160 I C 1.130 177.134 176.117 -0.189 0.000 1.119 160 I CA 3.139 64.369 61.300 -0.116 0.000 1.417 160 I CB -0.166 37.782 38.000 -0.086 0.000 1.078 160 I HN 0.039 8.194 8.210 -0.091 0.000 0.421 161 R N -0.389 119.919 120.500 -0.320 0.000 2.335 161 R HA 0.097 nan 4.340 nan 0.000 0.223 161 R C 0.185 176.116 176.300 -0.615 0.000 0.940 161 R CA -1.846 53.918 56.100 -0.559 0.000 1.086 161 R CB -1.237 28.483 30.300 -0.966 0.000 1.073 161 R HN -0.011 8.077 8.270 -0.303 0.000 0.504 162 G N -1.134 107.473 108.800 -0.321 0.000 2.283 162 G HA2 -0.385 nan 3.960 nan 0.000 0.280 162 G HA3 -0.385 nan 3.960 nan 0.000 0.280 162 G C 0.223 175.124 174.900 0.003 0.000 1.029 162 G CA 0.831 45.842 45.100 -0.148 0.000 0.840 162 G HN -0.474 7.481 8.290 -0.243 0.190 0.505 163 Y N 1.455 121.779 120.300 0.039 0.000 2.930 163 Y HA -0.099 nan 4.550 nan 0.000 0.386 163 Y C -1.162 174.769 175.900 0.052 0.000 1.185 163 Y CA -3.109 55.033 58.100 0.070 0.000 1.922 163 Y CB -2.477 36.006 38.460 0.039 0.000 2.006 163 Y HN -0.018 8.056 8.280 -0.137 0.124 0.431 164 N N -1.742 117.083 118.700 0.208 0.000 2.648 164 N HA -0.292 nan 4.740 nan 0.000 0.265 164 N C -2.025 173.530 175.510 0.074 0.000 1.100 164 N CA -0.045 53.078 53.050 0.121 0.000 0.715 164 N CB -1.277 37.270 38.487 0.099 0.000 0.881 164 N HN -0.494 7.937 8.380 0.222 0.082 0.548 165 P HA -0.039 nan 4.420 nan 0.000 0.227 165 P C 0.788 178.083 177.300 -0.008 0.000 1.161 165 P CA 2.359 65.457 63.100 -0.004 0.000 0.788 165 P CB 0.156 31.820 31.700 -0.061 0.000 0.822 166 G N -2.107 106.692 108.800 -0.002 0.000 2.453 166 G HA2 -0.174 nan 3.960 nan 0.000 0.215 166 G HA3 -0.174 nan 3.960 nan 0.000 0.215 166 G C 0.528 175.450 174.900 0.035 0.000 1.147 166 G CA 0.792 45.900 45.100 0.013 0.000 0.802 166 G HN 0.056 8.349 8.290 0.004 0.000 0.535 167 L N -0.358 120.887 121.223 0.037 0.000 2.022 167 L HA -0.084 nan 4.340 nan 0.000 0.204 167 L C 0.647 177.553 176.870 0.060 0.000 1.076 167 L CA 1.768 56.628 54.840 0.033 0.000 0.749 167 L CB 0.202 42.276 42.059 0.025 0.000 0.903 167 L HN -0.629 7.623 8.230 0.037 0.000 0.439 168 L N -5.211 116.053 121.223 0.068 0.000 2.209 168 L HA -0.142 nan 4.340 nan 0.000 0.207 168 L C 1.817 178.758 176.870 0.118 0.000 1.094 168 L CA 1.863 56.766 54.840 0.105 0.000 0.790 168 L CB 0.002 42.094 42.059 0.055 0.000 0.932 168 L HN -0.673 7.589 8.230 0.053 0.000 0.447 169 V N -2.722 117.221 119.914 0.048 0.000 2.403 169 V HA -0.111 nan 4.120 nan 0.000 0.228 169 V C 0.427 176.512 176.094 -0.016 0.000 1.082 169 V CA 1.690 63.984 62.300 -0.011 0.000 1.073 169 V CB 0.235 32.053 31.823 -0.009 0.000 0.696 169 V HN -0.979 7.239 8.190 0.046 0.000 0.485 170 H N 0.214 119.256 119.070 -0.047 0.000 2.865 170 H HA 0.291 nan 4.556 nan 0.000 0.362 170 H C -1.398 173.926 175.328 -0.007 0.000 1.114 170 H CA -1.502 54.526 56.048 -0.034 0.000 1.208 170 H CB 3.640 33.369 29.762 -0.054 0.000 1.727 170 H HN -0.200 8.124 8.280 0.073 0.000 0.534 171 S N 5.361 121.109 115.700 0.080 0.000 3.570 171 S HA -0.142 nan 4.470 nan 0.000 0.259 171 S C -0.532 174.236 174.600 0.280 0.000 1.150 171 S CA 0.743 59.026 58.200 0.138 0.000 1.139 171 S CB -1.024 62.198 63.200 0.037 0.000 1.624 171 S HN 0.405 8.495 8.310 -0.367 0.000 0.525 172 D N -0.864 119.648 120.400 0.186 0.000 4.346 172 D HA -0.198 nan 4.640 nan 0.000 0.101 172 D C -1.858 174.439 176.300 -0.005 0.000 0.504 172 D CA 0.165 54.236 54.000 0.119 0.000 0.899 172 D CB -1.388 39.483 40.800 0.119 0.000 1.532 172 D HN 0.308 8.723 8.370 0.127 0.031 0.355 173 L N -1.625 119.518 121.223 -0.134 0.000 2.479 173 L HA 0.214 nan 4.340 nan 0.000 0.255 173 L C -1.348 175.130 176.870 -0.652 0.000 1.026 173 L CA -0.571 54.014 54.840 -0.424 0.000 0.842 173 L CB 2.850 44.785 42.059 -0.207 0.000 1.444 173 L HN -0.772 7.417 8.230 -0.068 0.000 0.409 174 A N -1.058 121.211 122.820 -0.919 0.000 2.750 174 A HA -0.278 nan 4.320 nan 0.000 0.298 174 A C -0.989 176.332 177.584 -0.437 0.000 1.500 174 A CA 1.270 52.946 52.037 -0.602 0.000 0.891 174 A CB -1.499 17.354 19.000 -0.246 0.000 0.972 174 A HN 0.244 7.818 8.150 -0.960 0.000 0.531 175 Y N -5.833 114.479 120.300 0.019 0.000 2.421 175 Y HA -0.417 nan 4.550 nan 0.000 0.424 175 Y C -0.622 175.291 175.900 0.021 0.000 1.157 175 Y CA 0.249 58.363 58.100 0.022 0.000 1.624 175 Y CB -2.279 36.190 38.460 0.015 0.000 1.127 175 Y HN -0.337 6.623 8.280 -2.081 0.072 0.443 176 L N -0.080 121.191 121.223 0.079 0.000 0.665 176 L HA -0.311 nan 4.340 nan 0.000 0.356 176 L C -1.464 175.435 176.870 0.048 0.000 1.065 176 L CA -0.046 54.838 54.840 0.074 0.000 1.222 176 L CB 0.765 42.877 42.059 0.089 0.000 0.078 176 L HN -0.126 8.129 8.230 0.042 0.000 0.091 177 Q N 0.747 120.588 119.800 0.069 0.000 3.062 177 Q HA 0.335 nan 4.340 nan 0.000 0.229 177 Q C -1.230 174.790 176.000 0.032 0.000 1.163 177 Q CA -0.709 55.143 55.803 0.082 0.000 0.322 177 Q CB 0.536 29.378 28.738 0.172 0.000 5.731 177 Q HN 0.389 8.706 8.270 0.079 0.000 0.328 178 A N 0.453 123.298 122.820 0.042 0.000 5.893 178 A HA -0.248 nan 4.320 nan 0.000 0.235 178 A C -1.539 175.876 177.584 -0.282 0.000 2.342 178 A CA 0.791 52.782 52.037 -0.076 0.000 0.703 178 A CB -1.533 17.439 19.000 -0.047 0.000 0.914 178 A HN 0.171 8.406 8.150 0.143 0.000 0.339 179 E N 0.246 120.287 120.200 -0.264 0.000 4.296 179 E HA 0.162 nan 4.350 nan 0.000 0.184 179 E C 0.482 176.976 176.600 -0.178 0.000 1.198 179 E CA 0.181 56.400 56.400 -0.302 0.000 0.767 179 E CB 1.798 31.289 29.700 -0.349 0.000 2.656 179 E HN 0.143 8.399 8.360 -0.173 0.000 0.516 180 G N 0.509 109.239 108.800 -0.117 0.000 4.084 180 G HA2 0.132 nan 3.960 nan 0.000 0.293 180 G HA3 0.132 nan 3.960 nan 0.000 0.293 180 G C -0.752 174.112 174.900 -0.059 0.000 1.303 180 G CA 0.127 45.179 45.100 -0.079 0.000 1.289 180 G HN 0.311 8.541 8.290 -0.100 0.000 0.609 181 G N 0.229 108.990 108.800 -0.065 0.000 3.748 181 G HA2 0.002 nan 3.960 nan 0.000 0.292 181 G HA3 0.002 nan 3.960 nan 0.000 0.292 181 G C -1.217 173.658 174.900 -0.041 0.000 3.340 181 G CA 0.170 45.242 45.100 -0.046 0.000 0.603 181 G HN -0.747 7.419 8.290 -0.082 0.074 0.290 182 G N -0.530 108.248 108.800 -0.036 0.000 2.332 182 G HA2 -0.084 nan 3.960 nan 0.000 0.216 182 G HA3 -0.084 nan 3.960 nan 0.000 0.216 182 G C -2.285 172.603 174.900 -0.020 0.000 1.041 182 G CA -0.289 44.797 45.100 -0.022 0.000 0.836 182 G HN -0.019 8.247 8.290 -0.039 0.000 0.530 183 D N -3.874 116.506 120.400 -0.033 0.000 2.706 183 D HA 0.330 nan 4.640 nan 0.000 0.227 183 D C -1.758 174.516 176.300 -0.042 0.000 1.233 183 D CA -0.238 53.741 54.000 -0.035 0.000 0.768 183 D CB 1.359 42.121 40.800 -0.063 0.000 1.490 183 D HN -0.461 7.886 8.370 -0.039 0.000 0.458 184 R N -0.498 119.982 120.500 -0.033 0.000 3.875 184 R HA -0.000 nan 4.340 nan 0.000 0.255 184 R C -1.196 175.089 176.300 -0.024 0.000 0.953 184 R CA -0.622 55.459 56.100 -0.033 0.000 0.771 184 R CB 0.913 31.199 30.300 -0.023 0.000 1.781 184 R HN -0.007 8.250 8.270 -0.022 0.000 0.393 185 Q N -0.064 119.726 119.800 -0.018 0.000 2.304 185 Q HA -0.069 nan 4.340 nan 0.000 0.315 185 Q C -0.087 175.912 176.000 -0.002 0.000 1.075 185 Q CA 0.813 56.609 55.803 -0.012 0.000 0.988 185 Q CB 0.132 28.864 28.738 -0.009 0.000 1.146 185 Q HN -0.123 8.136 8.270 -0.018 0.000 0.383 186 L N 3.767 124.988 121.223 -0.003 0.000 2.439 186 L HA 0.391 nan 4.340 nan 0.000 0.261 186 L C -0.617 176.260 176.870 0.012 0.000 1.153 186 L CA -0.571 54.272 54.840 0.006 0.000 0.808 186 L CB 0.703 42.759 42.059 -0.006 0.000 1.126 186 L HN 0.014 8.238 8.230 -0.010 0.000 0.460 187 T N -1.289 113.279 114.554 0.024 0.000 2.927 187 T HA 0.262 nan 4.350 nan 0.000 0.281 187 T C 0.887 175.597 174.700 0.016 0.000 0.998 187 T CA -1.470 60.643 62.100 0.022 0.000 1.019 187 T CB 2.543 71.430 68.868 0.031 0.000 1.061 187 T HN 0.128 8.728 8.240 0.036 -0.338 0.518 188 D N 2.150 122.557 120.400 0.012 0.000 2.116 188 D HA -0.221 nan 4.640 nan 0.000 0.193 188 D C 2.523 178.829 176.300 0.009 0.000 0.998 188 D CA 4.017 58.023 54.000 0.009 0.000 0.836 188 D CB -0.383 40.422 40.800 0.008 0.000 0.951 188 D HN 0.317 8.694 8.370 0.011 0.000 0.449 189 R N -0.952 119.556 120.500 0.013 0.000 2.096 189 R HA -0.285 nan 4.340 nan 0.000 0.240 189 R C 2.248 178.553 176.300 0.009 0.000 1.139 189 R CA 2.589 58.696 56.100 0.012 0.000 0.952 189 R CB -0.675 29.639 30.300 0.022 0.000 0.854 189 R HN 0.231 8.510 8.270 0.015 0.000 0.436 190 E N -0.461 119.751 120.200 0.021 0.000 2.017 190 E HA -0.380 nan 4.350 nan 0.000 0.193 190 E C 2.481 179.072 176.600 -0.015 0.000 0.997 190 E CA 3.241 59.644 56.400 0.006 0.000 0.804 190 E CB -0.374 29.338 29.700 0.020 0.000 0.757 190 E HN -0.668 7.710 8.360 0.034 0.002 0.448 191 K N -0.898 119.498 120.400 -0.008 0.000 2.113 191 K HA -0.407 nan 4.320 nan 0.000 0.208 191 K C 2.970 179.566 176.600 -0.007 0.000 1.047 191 K CA 3.357 59.638 56.287 -0.011 0.000 0.928 191 K CB -0.219 32.280 32.500 -0.002 0.000 0.716 191 K HN -0.032 8.218 8.250 0.000 0.000 0.446 192 E N -0.579 119.619 120.200 -0.003 0.000 2.047 192 E HA -0.231 nan 4.350 nan 0.000 0.191 192 E C 2.315 178.906 176.600 -0.014 0.000 0.987 192 E CA 2.921 59.321 56.400 -0.000 0.000 0.799 192 E CB -0.388 29.312 29.700 -0.000 0.000 0.752 192 E HN -0.142 8.019 8.360 -0.002 0.198 0.449 193 I N 0.566 121.112 120.570 -0.039 0.000 2.226 193 I HA -0.511 nan 4.170 nan 0.000 0.245 193 I C 1.882 177.969 176.117 -0.050 0.000 1.100 193 I CA 4.289 65.539 61.300 -0.083 0.000 1.374 193 I CB -0.077 37.842 38.000 -0.135 0.000 1.057 193 I HN 0.108 8.117 8.210 -0.033 0.181 0.413 194 I N -1.278 119.268 120.570 -0.040 0.000 2.335 194 I HA -0.589 nan 4.170 nan 0.000 0.251 194 I C 1.602 177.696 176.117 -0.039 0.000 1.129 194 I CA 4.070 65.344 61.300 -0.043 0.000 1.402 194 I CB -0.648 37.319 38.000 -0.055 0.000 1.069 194 I HN 0.518 8.589 8.210 -0.041 0.114 0.424 195 R N -0.195 120.304 120.500 -0.002 0.000 2.062 195 R HA -0.358 nan 4.340 nan 0.000 0.229 195 R C 1.987 178.348 176.300 0.102 0.000 1.128 195 R CA 3.696 59.831 56.100 0.060 0.000 0.960 195 R CB -0.357 30.006 30.300 0.105 0.000 0.855 195 R HN -0.360 7.788 8.270 -0.001 0.122 0.432 196 Q N -0.961 118.878 119.800 0.066 0.000 2.135 196 Q HA -0.371 nan 4.340 nan 0.000 0.204 196 Q C 2.471 178.517 176.000 0.077 0.000 0.981 196 Q CA 2.920 58.766 55.803 0.072 0.000 0.856 196 Q CB -0.223 28.539 28.738 0.040 0.000 0.902 196 Q HN -0.422 7.871 8.270 0.038 0.000 0.425 197 A N -0.569 122.287 122.820 0.061 0.000 1.845 197 A HA -0.329 nan 4.320 nan 0.000 0.215 197 A C 1.675 179.241 177.584 -0.031 0.000 1.195 197 A CA 3.006 55.061 52.037 0.030 0.000 0.616 197 A CB -0.926 18.087 19.000 0.021 0.000 0.832 197 A HN -0.146 8.027 8.150 0.046 0.004 0.443 198 A N -2.604 120.181 122.820 -0.058 0.000 1.948 198 A HA -0.338 nan 4.320 nan 0.000 0.220 198 A C 2.172 179.844 177.584 0.146 0.000 1.177 198 A CA 3.141 55.110 52.037 -0.113 0.000 0.636 198 A CB -0.678 18.047 19.000 -0.459 0.000 0.815 198 A HN -0.403 7.706 8.150 -0.069 0.000 0.449 199 V N -0.921 119.166 119.914 0.288 0.000 2.270 199 V HA -0.462 nan 4.120 nan 0.000 0.245 199 V C 3.013 179.187 176.094 0.134 0.000 1.043 199 V CA 4.696 67.173 62.300 0.294 0.000 1.014 199 V CB -0.777 31.157 31.823 0.186 0.000 0.645 199 V HN 0.103 8.426 8.190 0.240 0.011 0.447 200 Q N -1.383 118.462 119.800 0.075 0.000 1.993 200 Q HA -0.329 nan 4.340 nan 0.000 0.202 200 Q C 2.843 178.850 176.000 0.012 0.000 0.984 200 Q CA 3.032 58.855 55.803 0.034 0.000 0.837 200 Q CB -0.573 28.178 28.738 0.021 0.000 0.902 200 Q HN -0.236 8.080 8.270 0.077 0.000 0.423 201 Q N -1.854 117.927 119.800 -0.030 0.000 2.297 201 Q HA -0.263 nan 4.340 nan 0.000 0.208 201 Q C 2.240 178.217 176.000 -0.037 0.000 0.981 201 Q CA 2.528 58.293 55.803 -0.064 0.000 0.876 201 Q CB -0.385 28.252 28.738 -0.169 0.000 0.921 201 Q HN 0.118 8.362 8.270 -0.043 0.000 0.446 202 T N 0.891 115.452 114.554 0.011 0.000 2.821 202 T HA -0.121 nan 4.350 nan 0.000 0.267 202 T C 1.348 176.061 174.700 0.022 0.000 1.046 202 T CA 3.677 65.797 62.100 0.034 0.000 1.139 202 T CB -0.218 68.741 68.868 0.152 0.000 0.871 202 T HN -0.469 7.768 8.240 0.046 0.031 0.454 203 K N 0.294 120.710 120.400 0.027 0.000 2.211 203 K HA -0.164 nan 4.320 nan 0.000 0.203 203 K C 0.456 177.064 176.600 0.013 0.000 1.050 203 K CA 2.152 58.452 56.287 0.021 0.000 0.945 203 K CB 0.264 32.777 32.500 0.022 0.000 0.732 203 K HN -0.236 7.926 8.250 0.036 0.109 0.451 204 E N -3.073 117.130 120.200 0.005 0.000 2.651 204 E HA 0.120 nan 4.350 nan 0.000 0.213 204 E C -1.292 175.302 176.600 -0.010 0.000 1.028 204 E CA -1.205 55.199 56.400 0.007 0.000 1.183 204 E CB -1.025 28.688 29.700 0.021 0.000 1.188 204 E HN -0.669 7.528 8.360 -0.001 0.163 0.444 205 M N 1.469 121.048 119.600 -0.036 0.000 2.311 205 M HA 0.124 nan 4.480 nan 0.000 0.325 205 M C -1.735 174.539 176.300 -0.044 0.000 1.061 205 M CA -0.274 54.969 55.300 -0.095 0.000 0.957 205 M CB 2.084 34.553 32.600 -0.218 0.000 1.646 205 M HN -0.828 7.385 8.290 -0.024 0.063 0.434 206 D N 5.398 125.799 120.400 0.000 0.000 2.274 206 D HA 0.161 nan 4.640 nan 0.000 0.239 206 D C 0.208 176.590 176.300 0.137 0.000 1.104 206 D CA -1.253 52.795 54.000 0.081 0.000 0.840 206 D CB 0.852 41.716 40.800 0.106 0.000 1.100 206 D HN 0.285 8.654 8.370 -0.002 0.000 0.477 207 L N 4.204 125.525 121.223 0.164 0.000 2.591 207 L HA 0.059 nan 4.340 nan 0.000 0.228 207 L C 0.409 177.505 176.870 0.376 0.000 1.133 207 L CA 0.778 55.767 54.840 0.249 0.000 0.880 207 L CB -0.685 41.589 42.059 0.359 0.000 1.033 207 L HN 0.380 8.706 8.230 0.161 0.000 0.450 208 S N -2.328 113.533 115.700 0.268 0.000 2.492 208 S HA 0.017 nan 4.470 nan 0.000 0.218 208 S C -1.136 173.568 174.600 0.172 0.000 1.016 208 S CA 1.319 59.628 58.200 0.181 0.000 0.916 208 S CB 1.585 64.869 63.200 0.141 0.000 0.791 208 S HN -0.160 8.518 8.310 0.220 -0.236 0.513 209 V N -0.097 119.936 119.914 0.199 0.000 2.680 209 V HA 0.775 nan 4.120 nan 0.000 0.309 209 V C -2.065 174.023 176.094 -0.011 0.000 1.052 209 V CA -1.172 61.164 62.300 0.061 0.000 0.908 209 V CB 2.596 34.422 31.823 0.005 0.000 1.001 209 V HN -0.927 7.388 8.190 0.209 0.000 0.431 210 V N 7.225 127.065 119.914 -0.124 0.000 3.120 210 V HA 0.612 nan 4.120 nan 0.000 0.303 210 V C -2.564 173.383 176.094 -0.245 0.000 1.238 210 V CA -0.830 61.289 62.300 -0.301 0.000 1.008 210 V CB 5.119 36.659 31.823 -0.472 0.000 1.064 210 V HN 0.824 8.928 8.190 -0.144 0.000 0.434 211 R N 1.501 121.857 120.500 -0.239 0.000 2.888 211 R HA 0.903 nan 4.340 nan 0.000 0.266 211 R C -1.523 174.625 176.300 -0.253 0.000 1.020 211 R CA -2.303 53.675 56.100 -0.203 0.000 0.963 211 R CB 4.669 34.882 30.300 -0.146 0.000 1.197 211 R HN 0.535 8.659 8.270 -0.244 0.000 0.481 212 L N -0.061 121.003 121.223 -0.265 0.000 2.307 212 L HA 0.717 nan 4.340 nan 0.000 0.284 212 L C -1.701 174.906 176.870 -0.437 0.000 1.023 212 L CA -1.208 53.362 54.840 -0.450 0.000 0.810 212 L CB 1.819 43.535 42.059 -0.572 0.000 1.231 212 L HN 0.294 8.409 8.230 -0.192 0.000 0.423 213 M N 3.961 123.259 119.600 -0.504 0.000 2.181 213 M HA 0.560 nan 4.480 nan 0.000 0.323 213 M C -2.092 173.935 176.300 -0.456 0.000 1.004 213 M CA -1.120 53.989 55.300 -0.318 0.000 0.941 213 M CB 2.948 35.428 32.600 -0.199 0.000 1.579 213 M HN 0.649 8.620 8.290 -0.531 0.000 0.427 214 F N 6.163 126.003 119.950 -0.185 0.000 2.443 214 F HA 0.725 nan 4.527 nan 0.000 0.335 214 F C -1.116 174.579 175.800 -0.176 0.000 1.104 214 F CA -1.643 56.243 58.000 -0.189 0.000 1.013 214 F CB 2.365 41.264 39.000 -0.167 0.000 1.136 214 F HN 0.181 8.602 8.300 0.200 0.000 0.470 215 T N 4.370 118.901 114.554 -0.038 0.000 2.991 215 T HA 0.422 nan 4.350 nan 0.000 0.303 215 T C -2.194 172.288 174.700 -0.363 0.000 1.015 215 T CA -0.119 61.851 62.100 -0.216 0.000 1.007 215 T CB 2.498 71.214 68.868 -0.255 0.000 1.034 215 T HN 0.784 9.004 8.240 -0.034 0.000 0.446 216 A N 5.796 128.369 122.820 -0.411 0.000 2.320 216 A HA 1.043 nan 4.320 nan 0.000 0.334 216 A C -2.225 175.016 177.584 -0.571 0.000 1.147 216 A CA -2.144 49.677 52.037 -0.359 0.000 0.820 216 A CB 2.426 21.339 19.000 -0.145 0.000 1.218 216 A HN 0.511 8.463 8.150 -0.329 0.000 0.482 217 F N -0.506 119.483 119.950 0.065 0.000 2.496 217 F HA 0.511 nan 4.527 nan 0.000 0.341 217 F C -1.051 174.894 175.800 0.242 0.000 1.134 217 F CA -1.627 56.456 58.000 0.138 0.000 0.968 217 F CB 2.209 41.305 39.000 0.159 0.000 1.205 217 F HN 0.525 8.834 8.300 0.015 0.000 0.436 218 L N 3.545 125.012 121.223 0.407 0.000 2.334 218 L HA 0.411 nan 4.340 nan 0.000 0.277 218 L C -1.178 175.889 176.870 0.329 0.000 1.075 218 L CA -3.092 51.961 54.840 0.355 0.000 0.804 218 L CB 0.395 42.583 42.059 0.215 0.000 1.174 218 L HN 0.803 9.133 8.230 0.344 0.106 0.438 219 P HA -0.190 nan 4.420 nan 0.000 0.254 219 P C -1.281 175.983 177.300 -0.061 0.000 1.186 219 P CA 0.062 63.095 63.100 -0.112 0.000 0.868 219 P CB -0.782 30.802 31.700 -0.192 0.000 0.856 220 D N 5.464 125.829 120.400 -0.059 0.000 2.210 220 D HA 0.107 nan 4.640 nan 0.000 0.249 220 D C 0.269 176.530 176.300 -0.065 0.000 1.062 220 D CA -0.303 53.681 54.000 -0.028 0.000 0.891 220 D CB 2.328 43.131 40.800 0.006 0.000 1.186 220 D HN -0.055 8.267 8.370 -0.079 0.000 0.432 221 S N 0.554 116.230 115.700 -0.041 0.000 4.159 221 S HA -0.411 nan 4.470 nan 0.000 0.539 221 S C -0.944 173.617 174.600 -0.064 0.000 1.863 221 S CA 2.267 60.440 58.200 -0.045 0.000 4.247 221 S CB -0.184 62.990 63.200 -0.044 0.000 0.246 221 S HN 0.419 8.715 8.310 -0.023 0.000 0.455 222 T N -1.008 113.491 114.554 -0.092 0.000 3.483 222 T HA 0.225 nan 4.350 nan 0.000 0.329 222 T C 0.233 174.838 174.700 -0.158 0.000 1.014 222 T CA -0.502 61.533 62.100 -0.108 0.000 1.056 222 T CB 1.996 70.822 68.868 -0.069 0.000 1.090 222 T HN 0.082 8.265 8.240 -0.096 0.000 0.460 223 G N 5.917 114.567 108.800 -0.250 0.000 4.655 223 G HA2 -0.359 nan 3.960 nan 0.000 0.220 223 G HA3 -0.359 nan 3.960 nan 0.000 0.220 223 G C -0.373 174.206 174.900 -0.536 0.000 1.403 223 G CA 0.105 45.001 45.100 -0.341 0.000 0.931 223 G HN 0.238 8.375 8.290 -0.255 0.000 0.654 224 S N 6.006 121.534 115.700 -0.286 0.000 2.946 224 S HA -0.285 nan 4.470 nan 0.000 0.349 224 S C -0.344 174.110 174.600 -0.243 0.000 1.189 224 S CA 0.821 58.901 58.200 -0.199 0.000 1.285 224 S CB 0.104 63.243 63.200 -0.102 0.000 1.010 224 S HN -0.306 7.833 8.310 -0.192 0.056 0.538 225 F N 5.571 125.513 119.950 -0.012 0.000 2.456 225 F HA -0.114 nan 4.527 nan 0.000 0.358 225 F C -0.301 175.470 175.800 -0.050 0.000 1.095 225 F CA 0.977 58.995 58.000 0.030 0.000 1.216 225 F CB 0.290 39.340 39.000 0.083 0.000 1.125 225 F HN -0.212 8.132 8.300 0.074 0.000 0.549 226 T N -2.250 112.424 114.554 0.200 0.000 3.333 226 T HA 0.100 nan 4.350 nan 0.000 0.289 226 T C 0.035 174.921 174.700 0.310 0.000 0.866 226 T CA 0.350 62.526 62.100 0.126 0.000 0.872 226 T CB 1.541 70.422 68.868 0.022 0.000 1.227 226 T HN 0.344 8.734 8.240 0.249 0.000 0.676 227 R N 3.441 124.132 120.500 0.318 0.000 2.351 227 R HA 0.052 nan 4.340 nan 0.000 0.321 227 R C -1.028 175.460 176.300 0.312 0.000 1.182 227 R CA -0.310 55.943 56.100 0.255 0.000 1.011 227 R CB -0.334 30.073 30.300 0.178 0.000 1.048 227 R HN 0.279 8.727 8.270 0.296 0.000 0.490 228 R N 5.900 126.586 120.500 0.310 0.000 2.216 228 R HA 0.103 nan 4.340 nan 0.000 0.332 228 R C -0.735 175.575 176.300 0.018 0.000 1.056 228 R CA -0.396 55.765 56.100 0.103 0.000 0.901 228 R CB 0.239 30.684 30.300 0.242 0.000 1.039 228 R HN -0.119 8.332 8.270 0.302 0.000 0.456 229 L N 6.879 128.069 121.223 -0.055 0.000 2.436 229 L HA 0.041 nan 4.340 nan 0.000 0.265 229 L C 0.229 177.082 176.870 -0.028 0.000 1.168 229 L CA -0.316 54.520 54.840 -0.008 0.000 0.815 229 L CB 0.667 42.727 42.059 0.001 0.000 1.109 229 L HN -0.227 7.917 8.230 -0.143 0.000 0.462 230 E N 0.803 121.010 120.200 0.011 0.000 2.694 230 E HA -0.146 nan 4.350 nan 0.000 0.250 230 E C -1.782 174.806 176.600 -0.019 0.000 0.963 230 E CA -0.991 55.413 56.400 0.006 0.000 0.949 230 E CB -0.058 29.659 29.700 0.029 0.000 0.911 230 E HN 0.062 8.443 8.360 0.036 0.000 0.500 231 P HA 0.056 nan 4.420 nan 0.000 0.271 231 P C -1.818 175.477 177.300 -0.010 0.000 1.216 231 P CA -0.519 62.562 63.100 -0.032 0.000 0.776 231 P CB 0.675 32.351 31.700 -0.039 0.000 0.881 232 V N 2.434 122.357 119.914 0.014 0.000 2.540 232 V HA 0.282 nan 4.120 nan 0.000 0.302 232 V C -1.653 174.487 176.094 0.076 0.000 1.035 232 V CA -1.411 60.901 62.300 0.020 0.000 0.873 232 V CB 3.290 35.099 31.823 -0.023 0.000 0.992 232 V HN -0.141 8.072 8.190 0.038 0.000 0.428 233 V N 8.114 128.045 119.914 0.028 0.000 2.465 233 V HA 0.528 nan 4.120 nan 0.000 0.279 233 V C -0.703 175.411 176.094 0.034 0.000 1.045 233 V CA -2.233 60.075 62.300 0.013 0.000 0.938 233 V CB 1.447 33.249 31.823 -0.035 0.000 0.986 233 V HN 0.308 8.501 8.190 0.005 0.000 0.467 234 S N 8.677 124.414 115.700 0.061 0.000 2.633 234 S HA 0.190 nan 4.470 nan 0.000 0.257 234 S C -0.732 173.862 174.600 -0.010 0.000 1.265 234 S CA -0.249 57.987 58.200 0.060 0.000 0.980 234 S CB 1.419 64.679 63.200 0.100 0.000 1.017 234 S HN 0.562 8.784 8.310 0.039 0.111 0.577 235 D N 0.142 120.533 120.400 -0.015 0.000 2.340 235 D HA 0.117 nan 4.640 nan 0.000 0.251 235 D C -0.289 175.960 176.300 -0.084 0.000 1.080 235 D CA -0.777 53.202 54.000 -0.034 0.000 0.971 235 D CB 0.902 41.699 40.800 -0.006 0.000 1.137 235 D HN -0.601 7.916 8.370 -0.001 -0.147 0.475 236 A N -0.470 122.269 122.820 -0.134 0.000 2.561 236 A HA 0.006 nan 4.320 nan 0.000 0.234 236 A C -0.001 177.354 177.584 -0.381 0.000 1.055 236 A CA 0.919 52.763 52.037 -0.322 0.000 0.756 236 A CB 0.408 19.121 19.000 -0.478 0.000 0.986 236 A HN 0.159 8.258 8.150 -0.085 0.000 0.505 237 I N 2.083 122.423 120.570 -0.383 0.000 2.418 237 I HA 0.313 nan 4.170 nan 0.000 0.287 237 I C -1.454 174.541 176.117 -0.203 0.000 1.008 237 I CA -0.776 60.432 61.300 -0.154 0.000 1.104 237 I CB 1.847 39.863 38.000 0.027 0.000 1.264 237 I HN 0.593 8.594 8.210 -0.349 0.000 0.438 238 Y N 6.198 126.550 120.300 0.086 0.000 2.387 238 Y HA 0.253 nan 4.550 nan 0.000 0.336 238 Y C -0.769 174.969 175.900 -0.270 0.000 1.067 238 Y CA -1.681 56.390 58.100 -0.050 0.000 1.114 238 Y CB 1.725 40.158 38.460 -0.044 0.000 1.208 238 Y HN 0.543 8.915 8.280 0.154 0.000 0.458 239 D N 1.909 122.007 120.400 -0.504 0.000 2.371 239 D HA 0.014 nan 4.640 nan 0.000 0.256 239 D C 1.236 177.349 176.300 -0.310 0.000 1.193 239 D CA -0.486 52.996 54.000 -0.863 0.000 0.881 239 D CB 0.966 41.166 40.800 -1.000 0.000 1.143 239 D HN 0.185 8.336 8.370 -0.365 0.000 0.473 240 S N 5.856 121.423 115.700 -0.221 0.000 2.547 240 S HA -0.183 nan 4.470 nan 0.000 0.235 240 S C 0.949 175.488 174.600 -0.101 0.000 0.980 240 S CA 2.054 60.190 58.200 -0.107 0.000 0.941 240 S CB 0.096 63.257 63.200 -0.065 0.000 0.763 240 S HN 0.239 8.401 8.310 -0.246 0.000 0.532 241 K N -0.232 120.091 120.400 -0.129 0.000 2.437 241 K HA 0.101 nan 4.320 nan 0.000 0.205 241 K C -0.716 175.856 176.600 -0.047 0.000 1.026 241 K CA -1.741 54.506 56.287 -0.068 0.000 1.153 241 K CB -0.367 32.109 32.500 -0.041 0.000 0.863 241 K HN -0.678 7.626 8.250 -0.205 -0.177 0.502 242 A N 0.589 123.370 122.820 -0.065 0.000 2.274 242 A HA 0.617 nan 4.320 nan 0.000 0.309 242 A C -1.680 175.879 177.584 -0.041 0.000 1.226 242 A CA -2.824 49.194 52.037 -0.031 0.000 0.853 242 A CB 0.459 19.442 19.000 -0.028 0.000 1.146 242 A HN -0.247 7.663 8.150 -0.097 0.182 0.518 243 P HA -0.317 nan 4.420 nan 0.000 0.218 243 P C -0.699 176.558 177.300 -0.071 0.000 1.152 243 P CA 2.690 65.755 63.100 -0.059 0.000 0.857 243 P CB -0.007 31.662 31.700 -0.051 0.000 0.787 244 N N -7.520 111.141 118.700 -0.065 0.000 2.276 244 N HA -0.047 nan 4.740 nan 0.000 0.212 244 N C -0.697 174.743 175.510 -0.116 0.000 1.127 244 N CA -0.865 52.133 53.050 -0.087 0.000 0.834 244 N CB -1.433 37.005 38.487 -0.081 0.000 1.014 244 N HN -0.045 8.283 8.380 -0.048 0.022 0.491 245 A N -1.209 121.553 122.820 -0.097 0.000 2.596 245 A HA 0.229 nan 4.320 nan 0.000 0.276 245 A C -1.812 175.730 177.584 -0.071 0.000 0.962 245 A CA -0.847 51.127 52.037 -0.104 0.000 1.010 245 A CB 0.126 19.078 19.000 -0.080 0.000 1.220 245 A HN 0.081 8.015 8.150 -0.078 0.170 0.549 246 S N -1.124 114.534 115.700 -0.070 0.000 2.584 246 S HA -0.064 nan 4.470 nan 0.000 0.270 246 S C 0.033 174.605 174.600 -0.047 0.000 1.346 246 S CA -0.498 57.668 58.200 -0.057 0.000 1.018 246 S CB 0.600 63.761 63.200 -0.065 0.000 0.899 246 S HN -0.567 7.635 8.310 -0.078 0.061 0.542 247 N N 4.792 123.473 118.700 -0.031 0.000 2.415 247 N HA -0.057 nan 4.740 nan 0.000 0.250 247 N C -0.818 174.679 175.510 -0.023 0.000 1.127 247 N CA -0.020 53.017 53.050 -0.021 0.000 0.945 247 N CB -0.561 37.922 38.487 -0.007 0.000 1.196 247 N HN 0.352 8.714 8.380 -0.029 0.000 0.499 248 L N 3.926 125.129 121.223 -0.032 0.000 2.453 248 L HA -0.083 nan 4.340 nan 0.000 0.272 248 L C -1.157 175.701 176.870 -0.020 0.000 1.182 248 L CA -0.011 54.808 54.840 -0.035 0.000 0.858 248 L CB 0.370 42.402 42.059 -0.045 0.000 1.120 248 L HN 0.201 8.409 8.230 -0.036 0.000 0.474 249 K N 2.889 123.281 120.400 -0.013 0.000 2.557 249 K HA 0.300 nan 4.320 nan 0.000 0.257 249 K C -2.022 174.582 176.600 0.008 0.000 0.933 249 K CA -0.705 55.584 56.287 0.002 0.000 0.820 249 K CB 3.701 36.211 32.500 0.017 0.000 1.330 249 K HN 0.080 8.318 8.250 -0.019 0.000 0.432 250 I N 4.695 125.272 120.570 0.011 0.000 2.321 250 I HA 0.187 nan 4.170 nan 0.000 0.291 250 I C 0.050 176.191 176.117 0.040 0.000 0.998 250 I CA -0.033 61.279 61.300 0.020 0.000 1.227 250 I CB 0.626 38.633 38.000 0.013 0.000 1.368 250 I HN 0.120 8.633 8.210 0.012 -0.295 0.466 251 V N 3.972 123.918 119.914 0.052 0.000 2.992 251 V HA 0.183 nan 4.120 nan 0.000 0.250 251 V C -0.764 175.365 176.094 0.059 0.000 1.090 251 V CA -0.094 62.239 62.300 0.054 0.000 1.101 251 V CB 1.347 33.204 31.823 0.057 0.000 0.743 251 V HN 0.729 8.953 8.190 0.057 0.000 0.468 252 R N -3.237 117.304 120.500 0.070 0.000 3.329 252 R HA 0.226 nan 4.340 nan 0.000 0.251 252 R C -2.979 173.380 176.300 0.098 0.000 1.023 252 R CA 0.124 56.270 56.100 0.077 0.000 1.009 252 R CB 1.266 31.605 30.300 0.065 0.000 1.250 252 R HN -0.661 7.653 8.270 0.073 0.000 0.518 253 M N 0.144 119.811 119.600 0.111 0.000 2.393 253 M HA 0.633 nan 4.480 nan 0.000 0.299 253 M C -0.401 175.969 176.300 0.117 0.000 1.103 253 M CA -0.999 54.386 55.300 0.143 0.000 0.910 253 M CB 3.029 35.742 32.600 0.188 0.000 1.659 253 M HN 0.191 8.541 8.290 0.101 0.000 0.445 254 D N 1.025 121.488 120.400 0.105 0.000 2.182 254 D HA -0.263 nan 4.640 nan 0.000 0.201 254 D C 0.137 176.466 176.300 0.048 0.000 0.986 254 D CA 2.127 56.157 54.000 0.050 0.000 0.847 254 D CB 0.140 40.937 40.800 -0.005 0.000 0.942 254 D HN 0.233 8.686 8.370 0.137 0.000 0.467 255 R N -1.594 118.957 120.500 0.085 0.000 2.502 255 R HA 0.218 nan 4.340 nan 0.000 0.300 255 R C -0.805 175.605 176.300 0.184 0.000 0.984 255 R CA -0.469 55.683 56.100 0.087 0.000 0.882 255 R CB 2.295 32.632 30.300 0.062 0.000 1.180 255 R HN -0.306 8.007 8.270 0.114 0.025 0.444 256 T N -1.264 113.351 114.554 0.101 0.000 3.214 256 T HA 0.137 nan 4.350 nan 0.000 0.264 256 T C -1.944 172.557 174.700 -0.331 0.000 1.012 256 T CA -1.007 61.162 62.100 0.116 0.000 0.901 256 T CB -0.071 68.854 68.868 0.095 0.000 1.070 256 T HN 0.343 8.607 8.240 0.040 0.000 0.561 257 A N -0.817 121.645 122.820 -0.596 0.000 2.594 257 A HA 0.515 nan 4.320 nan 0.000 0.296 257 A C -2.110 174.935 177.584 -0.900 0.000 1.061 257 A CA -0.193 51.226 52.037 -1.031 0.000 0.689 257 A CB 2.493 21.229 19.000 -0.440 0.000 1.280 257 A HN -0.796 7.124 8.150 -0.266 0.070 0.406 258 G N -0.761 107.268 108.800 -1.285 0.000 2.677 258 G HA2 0.322 nan 3.960 nan 0.000 0.291 258 G HA3 0.322 nan 3.960 nan 0.000 0.291 258 G C -2.456 171.726 174.900 -1.197 0.000 1.435 258 G CA -0.482 44.063 45.100 -0.925 0.000 0.826 258 G HN -0.209 7.143 8.290 -1.564 0.000 0.491 259 C N 2.399 121.342 119.300 -0.594 0.000 2.652 259 C HA 0.508 nan 4.460 nan 0.000 0.412 259 C C 0.613 175.647 174.990 0.074 0.000 1.294 259 C CA -0.707 58.202 59.018 -0.183 0.000 2.127 259 C CB 0.261 28.111 27.740 0.183 0.000 2.691 259 C HN -0.095 8.235 8.230 -0.280 -0.267 0.615 260 V N 2.742 122.768 119.914 0.186 0.000 2.694 260 V HA -0.060 nan 4.120 nan 0.000 0.306 260 V C -0.652 175.533 176.094 0.153 0.000 1.054 260 V CA 1.313 63.735 62.300 0.202 0.000 1.161 260 V CB -0.390 31.491 31.823 0.096 0.000 0.916 260 V HN 0.494 8.766 8.190 0.136 0.000 0.490 261 T N 4.638 119.280 114.554 0.147 0.000 3.103 261 T HA -0.119 nan 4.350 nan 0.000 0.119 261 T C -1.331 173.476 174.700 0.179 0.000 2.604 261 T CA 0.296 62.466 62.100 0.115 0.000 1.076 261 T CB 0.172 69.096 68.868 0.094 0.000 2.600 261 T HN 0.507 8.829 8.240 0.136 0.000 0.229 262 G N 0.875 109.760 108.800 0.142 0.000 2.521 262 G HA2 -0.118 nan 3.960 nan 0.000 0.589 262 G HA3 -0.118 nan 3.960 nan 0.000 0.589 262 G C -1.811 173.147 174.900 0.097 0.000 1.501 262 G CA -0.212 44.967 45.100 0.131 0.000 0.887 262 G HN -0.056 8.299 8.290 0.109 0.000 0.654 263 G N 0.787 109.631 108.800 0.074 0.000 3.784 263 G HA2 -0.183 nan 3.960 nan 0.000 0.220 263 G HA3 -0.183 nan 3.960 nan 0.000 0.220 263 G C -1.005 173.923 174.900 0.046 0.000 0.895 263 G CA 0.276 45.419 45.100 0.071 0.000 0.939 263 G HN 0.283 8.608 8.290 0.058 0.000 0.708 264 E N 1.815 122.030 120.200 0.025 0.000 2.259 264 E HA 0.006 nan 4.350 nan 0.000 0.281 264 E C -1.079 175.494 176.600 -0.045 0.000 1.037 264 E CA -0.639 55.761 56.400 0.001 0.000 0.854 264 E CB 1.358 31.056 29.700 -0.004 0.000 1.051 264 E HN -0.482 7.894 8.360 0.026 0.000 0.409 265 E N 5.951 126.130 120.200 -0.035 0.000 2.316 265 E HA 0.239 nan 4.350 nan 0.000 0.275 265 E C -0.663 175.865 176.600 -0.119 0.000 1.029 265 E CA -0.003 56.358 56.400 -0.066 0.000 0.871 265 E CB 0.747 30.466 29.700 0.031 0.000 1.022 265 E HN 0.322 8.680 8.360 -0.004 0.000 0.418 266 I N 6.799 127.164 120.570 -0.342 0.000 2.498 266 I HA 0.209 nan 4.170 nan 0.000 0.290 266 I C -1.726 174.324 176.117 -0.112 0.000 1.032 266 I CA -1.496 59.617 61.300 -0.311 0.000 1.073 266 I CB 3.541 41.170 38.000 -0.618 0.000 1.251 266 I HN 1.058 8.839 8.210 -0.532 0.111 0.426 267 Y N 5.579 125.817 120.300 -0.103 0.000 2.383 267 Y HA 0.437 nan 4.550 nan 0.000 0.344 267 Y C -1.612 174.332 175.900 0.074 0.000 0.986 267 Y CA -1.253 56.846 58.100 -0.001 0.000 1.175 267 Y CB -0.060 38.398 38.460 -0.005 0.000 1.152 267 Y HN -0.399 8.497 8.280 0.292 -0.441 0.511 268 L N 4.125 125.487 121.223 0.230 0.000 2.322 268 L HA 0.817 nan 4.340 nan 0.000 0.281 268 L C -2.187 174.754 176.870 0.118 0.000 1.014 268 L CA -1.600 53.362 54.840 0.203 0.000 0.815 268 L CB 3.303 45.512 42.059 0.250 0.000 1.247 268 L HN 0.986 9.322 8.230 0.178 0.000 0.421 269 L N 4.946 126.239 121.223 0.115 0.000 2.280 269 L HA 0.609 nan 4.340 nan 0.000 0.287 269 L C -1.249 175.676 176.870 0.093 0.000 1.023 269 L CA -1.146 53.761 54.840 0.111 0.000 0.819 269 L CB -0.151 41.977 42.059 0.114 0.000 1.212 269 L HN 0.561 8.864 8.230 0.120 0.000 0.420 270 C N 0.942 120.300 119.300 0.097 0.000 2.967 270 C HA 0.654 nan 4.460 nan 0.000 0.372 270 C C -0.946 174.135 174.990 0.151 0.000 1.455 270 C CA -3.421 55.642 59.018 0.075 0.000 1.638 270 C CB 3.144 30.885 27.740 0.001 0.000 2.096 270 C HN 0.469 8.657 8.230 0.114 0.110 0.466 271 D N 0.341 120.799 120.400 0.096 0.000 2.277 271 D HA 0.134 nan 4.640 nan 0.000 0.250 271 D C -1.113 175.141 176.300 -0.077 0.000 1.032 271 D CA -1.085 53.001 54.000 0.144 0.000 0.947 271 D CB 1.043 41.898 40.800 0.092 0.000 1.159 271 D HN -0.123 8.272 8.370 0.042 0.000 0.460 272 K N 0.330 120.560 120.400 -0.284 0.000 2.434 272 K HA -0.279 nan 4.320 nan 0.000 0.266 272 K C -0.650 175.752 176.600 -0.329 0.000 1.096 272 K CA 1.360 57.274 56.287 -0.623 0.000 1.182 272 K CB -0.325 31.869 32.500 -0.509 0.000 0.813 272 K HN 0.110 8.357 8.250 -0.004 0.000 0.490 273 V N -0.599 119.117 119.914 -0.329 0.000 3.074 273 V HA 0.406 nan 4.120 nan 0.000 0.314 273 V C -1.949 174.041 176.094 -0.174 0.000 1.117 273 V CA -2.690 59.494 62.300 -0.193 0.000 1.014 273 V CB 3.088 34.826 31.823 -0.142 0.000 1.057 273 V HN -0.018 7.906 8.190 -0.443 0.000 0.438 274 Q N 0.757 120.489 119.800 -0.114 0.000 2.398 274 Q HA 0.282 nan 4.340 nan 0.000 0.251 274 Q C 0.913 176.883 176.000 -0.050 0.000 0.999 274 Q CA -1.341 54.410 55.803 -0.086 0.000 0.874 274 Q CB 0.571 29.265 28.738 -0.073 0.000 1.215 274 Q HN 0.299 8.510 8.270 -0.099 0.000 0.470 275 K N 6.111 126.488 120.400 -0.038 0.000 2.144 275 K HA -0.420 nan 4.320 nan 0.000 0.209 275 K C 0.129 176.746 176.600 0.028 0.000 1.047 275 K CA 2.905 59.200 56.287 0.013 0.000 0.927 275 K CB -0.539 31.967 32.500 0.011 0.000 0.716 275 K HN 0.735 8.949 8.250 -0.060 0.000 0.454 276 D N -3.148 117.248 120.400 -0.008 0.000 2.328 276 D HA 0.083 nan 4.640 nan 0.000 0.221 276 D C -0.489 175.787 176.300 -0.040 0.000 1.072 276 D CA 1.037 55.024 54.000 -0.022 0.000 0.850 276 D CB 0.289 41.073 40.800 -0.027 0.000 0.922 276 D HN -0.235 8.103 8.370 -0.021 0.020 0.516 277 D N -1.533 118.845 120.400 -0.036 0.000 2.525 277 D HA 0.168 nan 4.640 nan 0.000 0.231 277 D C -1.835 174.437 176.300 -0.047 0.000 1.216 277 D CA 0.002 53.969 54.000 -0.054 0.000 0.813 277 D CB 2.209 42.973 40.800 -0.060 0.000 1.108 277 D HN 0.032 8.209 8.370 -0.024 0.178 0.524 278 I N 0.019 120.585 120.570 -0.006 0.000 2.566 278 I HA 0.459 nan 4.170 nan 0.000 0.303 278 I C -2.738 173.433 176.117 0.091 0.000 0.983 278 I CA -2.181 59.133 61.300 0.024 0.000 1.235 278 I CB 2.570 40.586 38.000 0.027 0.000 1.386 278 I HN -0.852 7.367 8.210 0.015 0.000 0.494 279 Q N 2.248 122.099 119.800 0.085 0.000 2.426 279 Q HA 0.372 nan 4.340 nan 0.000 0.278 279 Q C -2.014 174.066 176.000 0.134 0.000 1.007 279 Q CA -1.947 53.937 55.803 0.135 0.000 0.850 279 Q CB 3.838 32.537 28.738 -0.064 0.000 1.427 279 Q HN -0.128 8.163 8.270 0.035 0.000 0.391 280 I N 2.061 122.739 120.570 0.180 0.000 2.304 280 I HA 0.379 nan 4.170 nan 0.000 0.291 280 I C -1.311 174.847 176.117 0.069 0.000 1.018 280 I CA -0.300 60.960 61.300 -0.067 0.000 1.260 280 I CB 0.866 38.578 38.000 -0.479 0.000 1.390 280 I HN 0.694 9.110 8.210 0.344 0.000 0.475 281 R N 7.426 127.898 120.500 -0.047 0.000 2.265 281 R HA 0.522 nan 4.340 nan 0.000 0.328 281 R C -1.240 174.961 176.300 -0.164 0.000 0.969 281 R CA -1.629 54.411 56.100 -0.101 0.000 0.832 281 R CB 2.067 32.389 30.300 0.037 0.000 1.139 281 R HN 0.981 9.077 8.270 -0.104 0.111 0.457 282 F N 7.442 127.293 119.950 -0.164 0.000 2.408 282 F HA 0.483 nan 4.527 nan 0.000 0.344 282 F C -1.460 174.339 175.800 -0.000 0.000 1.112 282 F CA -0.398 57.609 58.000 0.012 0.000 1.096 282 F CB 1.752 40.836 39.000 0.140 0.000 1.129 282 F HN 0.947 9.098 8.300 -0.073 0.105 0.486 283 Y N -0.010 120.455 120.300 0.276 0.000 2.625 283 Y HA 0.638 nan 4.550 nan 0.000 0.338 283 Y C -3.098 173.083 175.900 0.469 0.000 1.123 283 Y CA -2.434 55.798 58.100 0.221 0.000 1.046 283 Y CB 3.384 41.864 38.460 0.034 0.000 1.299 283 Y HN 0.999 9.377 8.280 0.164 0.000 0.464 284 E N 0.818 121.331 120.200 0.521 0.000 2.255 284 E HA 0.345 nan 4.350 nan 0.000 0.256 284 E C -1.301 175.545 176.600 0.411 0.000 0.887 284 E CA -2.194 54.450 56.400 0.406 0.000 0.782 284 E CB 2.878 32.850 29.700 0.454 0.000 1.214 284 E HN 0.345 8.926 8.360 0.576 0.124 0.417 285 E N 6.648 127.089 120.200 0.401 0.000 2.053 285 E HA -0.136 nan 4.350 nan 0.000 0.297 285 E C 0.036 176.774 176.600 0.230 0.000 1.173 285 E CA 0.214 56.823 56.400 0.348 0.000 1.219 285 E CB -2.082 27.848 29.700 0.383 0.000 1.103 285 E HN 0.671 9.253 8.360 0.371 0.000 0.476 286 E N 2.002 122.323 120.200 0.201 0.000 2.511 286 E HA -0.208 nan 4.350 nan 0.000 0.196 286 E C 0.410 177.078 176.600 0.114 0.000 1.066 286 E CA 0.751 57.238 56.400 0.144 0.000 0.871 286 E CB -0.208 29.572 29.700 0.132 0.000 0.863 286 E HN -0.087 8.365 8.360 0.228 0.045 0.520 287 E N -3.112 117.159 120.200 0.118 0.000 3.989 287 E HA -0.476 nan 4.350 nan 0.000 0.213 287 E C 0.968 177.609 176.600 0.067 0.000 1.243 287 E CA 2.493 58.946 56.400 0.088 0.000 2.156 287 E CB -2.201 27.546 29.700 0.079 0.000 1.852 287 E HN 0.508 8.859 8.360 0.146 0.096 0.298 288 N N 4.968 123.703 118.700 0.060 0.000 2.814 288 N HA -0.192 nan 4.740 nan 0.000 0.304 288 N C -0.374 175.164 175.510 0.047 0.000 1.211 288 N CA 0.836 53.914 53.050 0.047 0.000 1.158 288 N CB -0.794 37.718 38.487 0.041 0.000 1.458 288 N HN -0.292 8.100 8.380 0.063 0.026 0.519 289 G N 0.596 109.425 108.800 0.047 0.000 2.291 289 G HA2 -0.189 nan 3.960 nan 0.000 0.249 289 G HA3 -0.189 nan 3.960 nan 0.000 0.249 289 G C -1.552 173.379 174.900 0.051 0.000 1.340 289 G CA -0.481 44.646 45.100 0.045 0.000 1.017 289 G HN -0.117 8.152 8.290 0.047 0.049 0.470 290 G N -0.064 108.769 108.800 0.055 0.000 2.546 290 G HA2 0.084 nan 3.960 nan 0.000 0.320 290 G HA3 0.084 nan 3.960 nan 0.000 0.320 290 G C -0.337 174.618 174.900 0.091 0.000 0.984 290 G CA -0.819 44.316 45.100 0.058 0.000 1.183 290 G HN -0.208 8.114 8.290 0.052 0.000 0.443 291 V N 0.366 120.343 119.914 0.105 0.000 3.484 291 V HA 0.142 nan 4.120 nan 0.000 0.304 291 V C -0.652 175.563 176.094 0.203 0.000 1.116 291 V CA -0.975 61.428 62.300 0.171 0.000 1.187 291 V CB 0.682 32.619 31.823 0.190 0.000 1.062 291 V HN -0.179 8.060 8.190 0.082 0.000 0.489 292 W N 2.754 124.128 121.300 0.123 0.000 2.237 292 W HA 0.091 nan 4.660 nan 0.000 0.335 292 W C -1.219 175.385 176.519 0.143 0.000 1.230 292 W CA 0.216 57.621 57.345 0.100 0.000 1.253 292 W CB 1.698 31.215 29.460 0.096 0.000 1.129 292 W HN 0.301 8.632 8.180 0.415 0.098 0.590 293 E N 5.395 124.827 120.200 -1.280 0.000 2.343 293 E HA 0.410 nan 4.350 nan 0.000 0.286 293 E C -2.126 173.547 176.600 -1.545 0.000 0.915 293 E CA -0.611 55.131 56.400 -1.097 0.000 0.784 293 E CB 3.083 32.466 29.700 -0.528 0.000 1.251 293 E HN -0.262 6.883 8.360 -2.025 0.000 0.407 294 G N 2.580 110.539 108.800 -1.401 0.000 2.660 294 G HA2 0.383 nan 3.960 nan 0.000 0.294 294 G HA3 0.383 nan 3.960 nan 0.000 0.294 294 G C -3.155 171.310 174.900 -0.724 0.000 1.369 294 G CA -0.748 43.829 45.100 -0.870 0.000 0.912 294 G HN 0.854 8.385 8.290 -1.090 0.106 0.479 295 F N -0.729 119.288 119.950 0.112 0.000 2.493 295 F HA 0.435 nan 4.527 nan 0.000 0.329 295 F C 0.133 176.101 175.800 0.280 0.000 1.126 295 F CA -1.700 56.407 58.000 0.177 0.000 0.937 295 F CB 2.563 41.589 39.000 0.043 0.000 1.146 295 F HN 0.215 8.547 8.300 0.054 0.000 0.442 296 G N 2.932 112.064 108.800 0.554 0.000 2.414 296 G HA2 -0.252 nan 3.960 nan 0.000 0.236 296 G HA3 -0.252 nan 3.960 nan 0.000 0.236 296 G C -1.566 173.647 174.900 0.523 0.000 1.293 296 G CA 0.053 45.520 45.100 0.612 0.000 0.869 296 G HN 0.307 8.892 8.290 0.492 0.000 0.556 297 D N 3.788 124.507 120.400 0.533 0.000 2.280 297 D HA 0.371 nan 4.640 nan 0.000 0.236 297 D C -1.356 175.222 176.300 0.463 0.000 1.082 297 D CA -1.005 53.198 54.000 0.339 0.000 0.834 297 D CB 1.675 42.619 40.800 0.240 0.000 1.100 297 D HN 0.152 8.768 8.370 0.591 0.109 0.486 298 F N 0.636 120.671 119.950 0.141 0.000 2.900 298 F HA 0.465 nan 4.527 nan 0.000 0.321 298 F C -2.436 173.398 175.800 0.058 0.000 1.160 298 F CA -1.544 56.522 58.000 0.110 0.000 0.890 298 F CB 1.930 41.015 39.000 0.141 0.000 1.334 298 F HN -0.387 7.803 8.300 -0.184 0.000 0.459 299 S N 0.121 115.960 115.700 0.232 0.000 2.739 299 S HA 0.601 nan 4.470 nan 0.000 0.306 299 S C -0.721 174.018 174.600 0.232 0.000 1.115 299 S CA -2.535 55.717 58.200 0.087 0.000 0.985 299 S CB 1.760 65.005 63.200 0.075 0.000 1.133 299 S HN 0.242 9.127 8.310 0.384 -0.345 0.541 300 P HA -0.058 nan 4.420 nan 0.000 0.218 300 P C 0.773 178.146 177.300 0.121 0.000 1.149 300 P CA 2.145 65.322 63.100 0.128 0.000 0.817 300 P CB -0.157 31.571 31.700 0.047 0.000 0.785 301 T N -7.831 106.784 114.554 0.101 0.000 3.051 301 T HA -0.196 nan 4.350 nan 0.000 0.269 301 T C 0.917 175.673 174.700 0.093 0.000 1.127 301 T CA 2.099 64.248 62.100 0.081 0.000 1.107 301 T CB -1.232 67.675 68.868 0.064 0.000 0.898 301 T HN -0.099 8.170 8.240 0.091 0.026 0.517 302 D N 0.016 120.498 120.400 0.136 0.000 2.333 302 D HA 0.157 nan 4.640 nan 0.000 0.208 302 D C 0.235 176.547 176.300 0.019 0.000 0.984 302 D CA 1.629 55.681 54.000 0.088 0.000 0.873 302 D CB 0.971 41.863 40.800 0.153 0.000 0.935 302 D HN -0.268 8.039 8.370 0.204 0.186 0.521 303 V N 0.060 119.999 119.914 0.043 0.000 2.415 303 V HA -0.039 nan 4.120 nan 0.000 0.267 303 V C -0.832 175.289 176.094 0.046 0.000 1.042 303 V CA -0.394 61.902 62.300 -0.007 0.000 1.000 303 V CB -1.489 30.333 31.823 -0.001 0.000 1.015 303 V HN -0.653 7.450 8.190 0.104 0.150 0.478 304 H N 9.653 128.697 119.070 -0.043 0.000 2.761 304 H HA 0.165 nan 4.556 nan 0.000 0.284 304 H C -0.081 175.270 175.328 0.039 0.000 1.105 304 H CA -0.558 55.487 56.048 -0.005 0.000 1.352 304 H CB 0.505 30.259 29.762 -0.014 0.000 1.423 304 H HN 0.566 8.802 8.280 0.103 0.107 0.464 305 R N 6.476 126.801 120.500 -0.292 0.000 3.502 305 R HA -0.403 nan 4.340 nan 0.000 0.266 305 R C -1.080 175.161 176.300 -0.099 0.000 1.077 305 R CA 0.840 56.809 56.100 -0.217 0.000 0.718 305 R CB -2.941 27.150 30.300 -0.349 0.000 1.120 305 R HN 0.944 9.102 8.270 -0.186 0.000 0.457 306 Q N -8.421 111.270 119.800 -0.183 0.000 2.305 306 Q HA -0.431 nan 4.340 nan 0.000 0.203 306 Q C 0.251 175.925 176.000 -0.543 0.000 0.663 306 Q CA 2.745 58.316 55.803 -0.387 0.000 1.389 306 Q CB -0.811 27.582 28.738 -0.574 0.000 1.566 306 Q HN 0.389 8.569 8.270 -0.137 0.009 0.755 307 F N -3.690 116.231 119.950 -0.049 0.000 2.683 307 F HA 0.107 nan 4.527 nan 0.000 0.306 307 F C -1.903 173.904 175.800 0.011 0.000 1.102 307 F CA -0.845 57.145 58.000 -0.018 0.000 1.244 307 F CB 1.208 40.201 39.000 -0.011 0.000 1.029 307 F HN -0.504 7.778 8.300 0.097 0.076 0.545 308 A N -1.676 121.218 122.820 0.122 0.000 2.594 308 A HA 0.647 nan 4.320 nan 0.000 0.296 308 A C -2.529 175.043 177.584 -0.020 0.000 1.061 308 A CA 0.176 52.263 52.037 0.084 0.000 0.689 308 A CB 3.148 22.242 19.000 0.157 0.000 1.280 308 A HN -0.756 7.428 8.150 0.058 0.000 0.406 309 I N 0.202 120.718 120.570 -0.091 0.000 2.534 309 I HA 0.400 nan 4.170 nan 0.000 0.288 309 I C -1.625 174.411 176.117 -0.135 0.000 1.077 309 I CA -0.893 60.271 61.300 -0.227 0.000 1.051 309 I CB 3.527 41.240 38.000 -0.479 0.000 1.234 309 I HN 0.800 8.987 8.210 -0.038 0.000 0.425 310 V N 7.411 127.201 119.914 -0.206 0.000 2.311 310 V HA 0.590 nan 4.120 nan 0.000 0.275 310 V C -1.540 174.565 176.094 0.017 0.000 1.022 310 V CA -0.661 61.504 62.300 -0.226 0.000 0.830 310 V CB -0.901 30.631 31.823 -0.485 0.000 1.012 310 V HN -0.142 7.916 8.190 -0.219 0.000 0.452 311 F N 5.312 125.218 119.950 -0.072 0.000 2.679 311 F HA 0.855 nan 4.527 nan 0.000 0.341 311 F C -2.515 173.373 175.800 0.147 0.000 1.095 311 F CA -3.491 54.566 58.000 0.094 0.000 1.004 311 F CB 2.773 41.849 39.000 0.126 0.000 1.388 311 F HN 0.510 8.783 8.300 -0.045 0.000 0.505 312 K N -0.342 120.232 120.400 0.290 0.000 2.376 312 K HA 0.594 nan 4.320 nan 0.000 0.257 312 K C -0.217 176.544 176.600 0.268 0.000 0.939 312 K CA -1.676 54.684 56.287 0.121 0.000 0.809 312 K CB 3.338 35.925 32.500 0.146 0.000 1.121 312 K HN 0.445 8.912 8.250 0.547 0.110 0.425 313 T N 2.966 117.588 114.554 0.114 0.000 2.939 313 T HA 0.047 nan 4.350 nan 0.000 0.319 313 T C -1.452 173.309 174.700 0.102 0.000 1.082 313 T CA -1.145 61.001 62.100 0.076 0.000 1.133 313 T CB -0.918 67.898 68.868 -0.086 0.000 1.019 313 T HN 0.219 8.444 8.240 -0.024 0.000 0.548 314 P HA 0.153 nan 4.420 nan 0.000 0.284 314 P C -1.849 175.577 177.300 0.209 0.000 1.287 314 P CA -1.744 61.451 63.100 0.159 0.000 0.824 314 P CB 1.632 33.442 31.700 0.184 0.000 1.180 315 K N -0.424 120.096 120.400 0.201 0.000 2.339 315 K HA 0.057 nan 4.320 nan 0.000 0.286 315 K C 0.022 176.682 176.600 0.101 0.000 1.050 315 K CA -0.137 56.238 56.287 0.147 0.000 0.956 315 K CB 0.655 33.215 32.500 0.100 0.000 0.990 315 K HN 0.028 8.391 8.250 0.188 0.000 0.475 316 Y N 7.320 127.379 120.300 -0.401 0.000 2.335 316 Y HA -0.174 nan 4.550 nan 0.000 0.348 316 Y C -0.004 175.469 175.900 -0.712 0.000 1.280 316 Y CA -0.813 56.657 58.100 -1.050 0.000 1.504 316 Y CB 0.789 38.341 38.460 -1.514 0.000 1.366 316 Y HN -0.240 8.067 8.280 -0.088 -0.080 0.621 317 K N 3.919 123.154 120.400 -1.942 0.000 4.568 317 K HA -0.468 nan 4.320 nan 0.000 0.264 317 K C 0.025 176.316 176.600 -0.515 0.000 0.689 317 K CA 1.269 56.813 56.287 -1.240 0.000 0.540 317 K CB -2.237 29.368 32.500 -1.492 0.000 2.203 317 K HN 0.500 6.816 8.250 -3.223 0.000 0.385 318 D N -1.924 118.347 120.400 -0.215 0.000 4.137 318 D HA -0.481 nan 4.640 nan 0.000 0.214 318 D C 0.192 176.440 176.300 -0.087 0.000 1.236 318 D CA 2.860 56.812 54.000 -0.080 0.000 2.360 318 D CB -0.355 40.407 40.800 -0.063 0.000 1.205 318 D HN 0.404 8.687 8.370 -0.109 0.021 0.406 319 V N -6.211 113.623 119.914 -0.133 0.000 3.671 319 V HA 0.227 nan 4.120 nan 0.000 0.202 319 V C -0.545 175.493 176.094 -0.093 0.000 1.188 319 V CA -0.181 62.069 62.300 -0.083 0.000 1.325 319 V CB 1.223 33.012 31.823 -0.057 0.000 1.470 319 V HN 0.112 8.112 8.190 -0.193 0.074 0.520 320 N N -2.113 116.521 118.700 -0.111 0.000 5.180 320 N HA -0.164 nan 4.740 nan 0.000 0.366 320 N C -0.982 174.521 175.510 -0.011 0.000 1.572 320 N CA 0.709 53.714 53.050 -0.074 0.000 2.673 320 N CB 0.529 38.978 38.487 -0.063 0.000 0.511 320 N HN -0.101 8.209 8.380 -0.117 0.000 0.723 321 I N -7.153 113.419 120.570 0.004 0.000 4.505 321 I HA 0.101 nan 4.170 nan 0.000 0.294 321 I C 0.704 176.836 176.117 0.025 0.000 1.144 321 I CA 0.745 62.053 61.300 0.013 0.000 1.325 321 I CB 0.071 38.071 38.000 -0.001 0.000 1.663 321 I HN 0.307 8.519 8.210 0.003 0.000 0.454 322 T N 3.306 117.874 114.554 0.024 0.000 5.087 322 T HA -0.339 nan 4.350 nan 0.000 0.414 322 T C -0.068 174.643 174.700 0.018 0.000 1.002 322 T CA 2.095 64.212 62.100 0.028 0.000 0.971 322 T CB -0.119 68.790 68.868 0.068 0.000 0.926 322 T HN -0.142 8.106 8.240 0.013 0.000 0.363 323 K N 0.230 120.637 120.400 0.013 0.000 2.399 323 K HA 0.504 nan 4.320 nan 0.000 0.260 323 K C -2.483 174.113 176.600 -0.007 0.000 1.049 323 K CA -2.939 53.350 56.287 0.003 0.000 0.890 323 K CB 1.608 34.106 32.500 -0.003 0.000 1.430 323 K HN -0.179 8.078 8.250 0.012 0.000 0.459 324 P HA -0.085 nan 4.420 nan 0.000 0.257 324 P C -1.470 175.784 177.300 -0.077 0.000 1.227 324 P CA 0.285 63.368 63.100 -0.028 0.000 0.981 324 P CB -0.490 31.202 31.700 -0.014 0.000 1.044 325 A N 6.290 129.024 122.820 -0.142 0.000 2.350 325 A HA 0.224 nan 4.320 nan 0.000 0.293 325 A C -0.989 176.474 177.584 -0.203 0.000 1.231 325 A CA -0.853 51.072 52.037 -0.187 0.000 0.883 325 A CB 0.647 19.456 19.000 -0.319 0.000 1.133 325 A HN -0.178 7.872 8.150 -0.167 0.000 0.533 326 S N 5.158 120.775 115.700 -0.138 0.000 2.545 326 S HA 0.634 nan 4.470 nan 0.000 0.275 326 S C -0.620 173.894 174.600 -0.145 0.000 1.299 326 S CA 0.742 58.846 58.200 -0.159 0.000 1.048 326 S CB 0.739 63.832 63.200 -0.177 0.000 0.938 326 S HN 0.333 8.581 8.310 -0.104 0.000 0.496 327 V N -2.090 117.736 119.914 -0.146 0.000 3.076 327 V HA 0.808 nan 4.120 nan 0.000 0.311 327 V C -1.828 174.063 176.094 -0.339 0.000 1.346 327 V CA -2.307 59.942 62.300 -0.085 0.000 1.056 327 V CB 2.550 34.546 31.823 0.288 0.000 1.093 327 V HN -0.100 8.006 8.190 -0.139 0.000 0.468 328 F N -1.475 118.355 119.950 -0.200 0.000 2.593 328 F HA 0.779 nan 4.527 nan 0.000 0.320 328 F C -1.178 174.509 175.800 -0.189 0.000 1.060 328 F CA -1.466 56.376 58.000 -0.263 0.000 0.940 328 F CB 4.528 43.192 39.000 -0.559 0.000 1.268 328 F HN 0.389 8.582 8.300 -0.179 0.000 0.475 329 V N 0.093 120.060 119.914 0.089 0.000 2.769 329 V HA 0.745 nan 4.120 nan 0.000 0.312 329 V C -1.875 174.180 176.094 -0.065 0.000 1.061 329 V CA -1.674 60.479 62.300 -0.245 0.000 0.931 329 V CB 2.077 33.626 31.823 -0.457 0.000 1.010 329 V HN 1.092 9.312 8.190 0.234 0.110 0.433 330 Q N 1.405 121.126 119.800 -0.131 0.000 2.578 330 Q HA 0.637 nan 4.340 nan 0.000 0.284 330 Q C -2.344 173.596 176.000 -0.099 0.000 0.960 330 Q CA -1.060 54.712 55.803 -0.050 0.000 0.809 330 Q CB 4.264 33.036 28.738 0.056 0.000 1.462 330 Q HN 0.206 8.316 8.270 -0.267 0.000 0.392 331 L N 1.093 122.270 121.223 -0.077 0.000 2.334 331 L HA 0.731 nan 4.340 nan 0.000 0.277 331 L C -1.593 175.253 176.870 -0.040 0.000 1.075 331 L CA -0.542 54.255 54.840 -0.072 0.000 0.804 331 L CB 1.583 43.597 42.059 -0.075 0.000 1.174 331 L HN 0.436 8.630 8.230 -0.059 0.000 0.438 332 R N 1.682 122.169 120.500 -0.022 0.000 2.584 332 R HA 0.590 nan 4.340 nan 0.000 0.276 332 R C -2.474 173.804 176.300 -0.036 0.000 1.046 332 R CA -1.403 54.682 56.100 -0.025 0.000 0.906 332 R CB 4.494 34.795 30.300 0.000 0.000 1.215 332 R HN 0.644 8.908 8.270 -0.009 0.000 0.449 333 R N 5.039 125.505 120.500 -0.056 0.000 2.267 333 R HA 0.095 nan 4.340 nan 0.000 0.319 333 R C 0.351 176.603 176.300 -0.079 0.000 1.067 333 R CA 0.084 56.143 56.100 -0.069 0.000 0.936 333 R CB 1.042 31.293 30.300 -0.081 0.000 1.006 333 R HN 0.528 8.763 8.270 -0.058 0.000 0.452 334 K N 6.332 126.677 120.400 -0.090 0.000 2.555 334 K HA -0.172 nan 4.320 nan 0.000 0.193 334 K C 0.312 176.855 176.600 -0.095 0.000 1.032 334 K CA 2.121 58.344 56.287 -0.107 0.000 1.004 334 K CB -0.531 31.884 32.500 -0.141 0.000 0.804 334 K HN 0.610 8.809 8.250 -0.085 0.000 0.496 335 S N -0.011 115.636 115.700 -0.090 0.000 2.388 335 S HA -0.161 nan 4.470 nan 0.000 0.223 335 S C 0.796 175.341 174.600 -0.091 0.000 1.034 335 S CA 2.135 60.283 58.200 -0.087 0.000 0.963 335 S CB 0.451 63.598 63.200 -0.089 0.000 0.827 335 S HN -0.247 8.095 8.310 -0.089 -0.086 0.481 336 D N -1.486 118.854 120.400 -0.100 0.000 2.540 336 D HA 0.103 nan 4.640 nan 0.000 0.229 336 D C 0.294 176.542 176.300 -0.087 0.000 1.250 336 D CA -0.829 53.108 54.000 -0.104 0.000 0.817 336 D CB -0.112 40.600 40.800 -0.147 0.000 1.060 336 D HN -0.585 7.725 8.370 -0.101 0.000 0.508 337 L N -3.733 117.442 121.223 -0.079 0.000 4.111 337 L HA -0.502 nan 4.340 nan 0.000 0.428 337 L C -0.698 176.131 176.870 -0.069 0.000 1.149 337 L CA 1.206 56.005 54.840 -0.068 0.000 0.981 337 L CB -2.360 39.663 42.059 -0.061 0.000 1.914 337 L HN -0.079 8.102 8.230 -0.082 0.000 1.016 338 E N -1.536 118.619 120.200 -0.075 0.000 2.390 338 E HA 0.046 nan 4.350 nan 0.000 0.261 338 E C -0.545 176.016 176.600 -0.064 0.000 1.076 338 E CA 0.328 56.686 56.400 -0.071 0.000 0.905 338 E CB 1.624 31.277 29.700 -0.080 0.000 0.984 338 E HN -0.678 7.824 8.360 -0.084 -0.192 0.427 339 T N 1.413 115.930 114.554 -0.060 0.000 2.906 339 T HA 0.576 nan 4.350 nan 0.000 0.295 339 T C -0.952 173.719 174.700 -0.048 0.000 1.075 339 T CA -1.923 60.143 62.100 -0.058 0.000 1.005 339 T CB 2.018 70.840 68.868 -0.077 0.000 1.136 339 T HN -0.135 8.070 8.240 -0.058 0.000 0.498 340 S N 3.790 119.465 115.700 -0.041 0.000 2.693 340 S HA 0.338 nan 4.470 nan 0.000 0.276 340 S C 0.086 174.670 174.600 -0.026 0.000 1.192 340 S CA -0.940 57.241 58.200 -0.031 0.000 0.994 340 S CB 2.393 65.575 63.200 -0.029 0.000 1.012 340 S HN 0.705 8.990 8.310 -0.042 0.000 0.550 341 E N 0.108 120.298 120.200 -0.016 0.000 2.415 341 E HA 0.006 nan 4.350 nan 0.000 0.262 341 E C -1.717 174.881 176.600 -0.005 0.000 1.038 341 E CA -1.420 54.970 56.400 -0.016 0.000 0.921 341 E CB -0.591 29.108 29.700 -0.002 0.000 0.950 341 E HN 0.057 8.410 8.360 -0.012 0.000 0.438 342 P HA -0.018 nan 4.420 nan 0.000 0.274 342 P C -1.405 175.970 177.300 0.125 0.000 1.231 342 P CA -0.401 62.711 63.100 0.019 0.000 0.790 342 P CB 1.039 32.590 31.700 -0.248 0.000 0.951 343 K N 0.876 121.403 120.400 0.213 0.000 2.463 343 K HA 0.568 nan 4.320 nan 0.000 0.255 343 K C -2.340 174.453 176.600 0.322 0.000 0.942 343 K CA -3.029 53.388 56.287 0.216 0.000 0.814 343 K CB 3.085 35.657 32.500 0.121 0.000 1.122 343 K HN 0.673 8.942 8.250 0.203 0.103 0.425 344 P HA 0.293 nan 4.420 nan 0.000 0.276 344 P C -1.572 175.801 177.300 0.123 0.000 1.243 344 P CA -0.152 62.983 63.100 0.059 0.000 0.768 344 P CB 0.286 31.956 31.700 -0.051 0.000 0.856 345 F N 5.723 125.623 119.950 -0.084 0.000 2.509 345 F HA 0.402 nan 4.527 nan 0.000 0.334 345 F C -2.002 173.730 175.800 -0.112 0.000 1.060 345 F CA -2.024 55.960 58.000 -0.027 0.000 0.997 345 F CB 3.966 43.052 39.000 0.144 0.000 1.271 345 F HN -0.146 8.199 8.300 0.074 0.000 0.488 346 L N 1.362 122.186 121.223 -0.664 0.000 2.541 346 L HA 0.396 nan 4.340 nan 0.000 0.266 346 L C -2.649 173.793 176.870 -0.713 0.000 0.966 346 L CA 0.188 54.735 54.840 -0.489 0.000 0.871 346 L CB 3.453 45.313 42.059 -0.330 0.000 1.232 346 L HN -0.136 7.176 8.230 -1.530 0.000 0.408 347 Y N 6.443 126.409 120.300 -0.556 0.000 2.310 347 Y HA 0.339 nan 4.550 nan 0.000 0.326 347 Y C -1.099 174.553 175.900 -0.414 0.000 1.151 347 Y CA -0.165 57.568 58.100 -0.612 0.000 1.195 347 Y CB 2.151 40.189 38.460 -0.703 0.000 1.210 347 Y HN 0.098 8.266 8.280 -0.187 0.000 0.483 348 Y N -1.776 118.478 120.300 -0.077 0.000 2.477 348 Y HA 0.513 nan 4.550 nan 0.000 0.347 348 Y C -2.608 173.276 175.900 -0.027 0.000 0.981 348 Y CA -4.461 53.593 58.100 -0.077 0.000 1.033 348 Y CB 0.269 38.667 38.460 -0.103 0.000 1.245 348 Y HN 0.372 8.266 8.280 -0.642 0.000 0.455 349 P HA -0.055 nan 4.420 nan 0.000 0.271 349 P C -1.632 175.762 177.300 0.157 0.000 1.238 349 P CA -0.288 62.893 63.100 0.135 0.000 0.794 349 P CB 0.359 32.099 31.700 0.067 0.000 0.959 350 E N 0.000 120.262 120.200 0.103 0.000 2.725 350 E HA 0.000 nan 4.350 nan 0.000 0.291 350 E CA 0.000 56.449 56.400 0.081 0.000 0.976 350 E CB 0.000 29.741 29.700 0.068 0.000 0.812 350 E HN 0.000 8.409 8.360 0.082 0.000 0.440