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 4nse_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 67 G C 0.000 174.840 174.900 -0.099 0.000 0.946 67 G CA 0.000 45.084 45.100 -0.026 0.000 0.502 68 P HA 0.256 nan 4.420 nan 0.000 0.265 68 P C 0.216 177.422 177.300 -0.156 0.000 1.187 68 P CA -0.124 62.817 63.100 -0.265 0.000 0.766 68 P CB 0.774 32.088 31.700 -0.643 0.000 0.820 69 K N 2.141 122.339 120.400 -0.338 0.000 2.878 69 K HA 0.131 4.456 4.320 0.007 0.000 0.242 69 K C -0.849 175.260 176.600 -0.817 0.000 0.985 69 K CA 0.334 56.296 56.287 -0.542 0.000 1.168 69 K CB -1.093 31.028 32.500 -0.632 0.000 0.993 69 K HN 0.295 nan 8.250 nan 0.000 0.476 70 F N -1.025 118.957 119.950 0.054 0.000 2.629 70 F HA 0.399 4.930 4.527 0.008 0.000 0.316 70 F C -2.072 173.835 175.800 0.178 0.000 1.081 70 F CA -3.039 55.016 58.000 0.091 0.000 0.954 70 F CB 0.802 39.854 39.000 0.086 0.000 1.337 70 F HN -0.164 nan 8.300 nan 0.000 0.474 71 P HA 0.031 nan 4.420 nan 0.000 0.260 71 P C -0.696 176.659 177.300 0.092 0.000 1.185 71 P CA 0.099 63.292 63.100 0.156 0.000 0.763 71 P CB 0.354 32.122 31.700 0.113 0.000 0.776 72 R N 3.345 123.827 120.500 -0.030 0.000 2.265 72 R HA 0.389 4.733 4.340 0.007 0.000 0.314 72 R C -1.089 175.073 176.300 -0.230 0.000 1.053 72 R CA -0.433 55.453 56.100 -0.357 0.000 0.931 72 R CB 0.459 30.587 30.300 -0.287 0.000 1.024 72 R HN 0.211 nan 8.270 nan 0.000 0.457 73 V N 4.888 124.633 119.914 -0.282 0.000 2.540 73 V HA 0.390 4.514 4.120 0.007 0.000 0.302 73 V C -0.388 175.594 176.094 -0.187 0.000 1.035 73 V CA -0.788 61.426 62.300 -0.145 0.000 0.873 73 V CB 1.659 33.443 31.823 -0.064 0.000 0.992 73 V HN 0.738 nan 8.190 nan 0.000 0.428 74 K N 3.463 123.763 120.400 -0.166 0.000 2.318 74 K HA 0.447 4.772 4.320 0.007 0.000 0.249 74 K C -0.801 175.663 176.600 -0.227 0.000 0.942 74 K CA -0.714 55.391 56.287 -0.304 0.000 0.808 74 K CB 1.692 33.830 32.500 -0.604 0.000 1.189 74 K HN 0.733 nan 8.250 nan 0.000 0.428 75 N N 4.050 122.622 118.700 -0.214 0.000 2.469 75 N HA 0.105 4.849 4.740 0.007 0.000 0.253 75 N C -0.232 175.232 175.510 -0.077 0.000 0.970 75 N CA -0.373 52.667 53.050 -0.018 0.000 0.940 75 N CB 0.489 39.000 38.487 0.039 0.000 1.128 75 N HN 0.678 nan 8.380 nan 0.000 0.503 76 W N 2.083 123.456 121.300 0.122 0.000 2.595 76 W HA 0.043 4.708 4.660 0.007 0.000 0.257 76 W C 2.099 178.656 176.519 0.062 0.000 1.267 76 W CA 0.070 57.473 57.345 0.097 0.000 1.300 76 W CB 0.240 29.776 29.460 0.127 0.000 1.120 76 W HN 0.657 nan 8.180 nan 0.000 0.618 77 E N 0.499 120.846 120.200 0.244 0.000 2.112 77 E HA -0.119 4.235 4.350 0.007 0.000 0.190 77 E C 1.696 178.335 176.600 0.066 0.000 0.979 77 E CA 1.004 57.458 56.400 0.090 0.000 0.814 77 E CB -0.187 29.557 29.700 0.073 0.000 0.762 77 E HN 0.283 nan 8.360 nan 0.000 0.460 78 L N -0.885 120.375 121.223 0.061 0.000 2.590 78 L HA 0.328 4.672 4.340 0.007 0.000 0.227 78 L C 1.489 178.351 176.870 -0.014 0.000 1.099 78 L CA 0.338 55.192 54.840 0.023 0.000 0.872 78 L CB 0.556 42.630 42.059 0.025 0.000 1.088 78 L HN 0.370 nan 8.230 nan 0.000 0.479 79 G N 0.880 109.650 108.800 -0.051 0.000 2.166 79 G HA2 -0.318 3.646 3.960 0.007 0.000 0.260 79 G HA3 -0.318 3.646 3.960 0.007 0.000 0.260 79 G C 0.364 175.180 174.900 -0.141 0.000 0.986 79 G CA 0.538 45.565 45.100 -0.122 0.000 0.683 79 G HN 0.476 nan 8.290 nan 0.000 0.527 80 S N -0.213 115.419 115.700 -0.113 0.000 2.610 80 S HA 0.809 5.283 4.470 0.007 0.000 0.273 80 S C 0.118 174.631 174.600 -0.145 0.000 1.274 80 S CA -0.870 57.272 58.200 -0.098 0.000 1.023 80 S CB 2.201 65.370 63.200 -0.052 0.000 0.962 80 S HN 0.392 nan 8.310 nan 0.000 0.523 81 I N 2.076 122.570 120.570 -0.128 0.000 2.646 81 I HA 0.617 4.791 4.170 0.007 0.000 0.299 81 I C 0.281 176.313 176.117 -0.143 0.000 1.036 81 I CA -0.253 60.939 61.300 -0.180 0.000 1.074 81 I CB 1.666 39.555 38.000 -0.185 0.000 1.258 81 I HN 1.059 nan 8.210 nan 0.000 0.430 82 T N 1.604 116.025 114.554 -0.222 0.000 2.868 82 T HA 0.683 5.037 4.350 0.007 0.000 0.306 82 T C -1.361 173.169 174.700 -0.284 0.000 1.224 82 T CA -0.692 61.331 62.100 -0.128 0.000 1.012 82 T CB 1.809 70.643 68.868 -0.057 0.000 1.221 82 T HN 0.259 nan 8.240 nan 0.000 0.499 83 Y N 0.294 120.589 120.300 -0.009 0.000 2.429 83 Y HA 0.548 5.102 4.550 0.007 0.000 0.342 83 Y C 0.026 175.906 175.900 -0.034 0.000 1.004 83 Y CA -0.929 57.179 58.100 0.013 0.000 1.075 83 Y CB 1.800 40.290 38.460 0.050 0.000 1.214 83 Y HN 0.720 nan 8.280 nan 0.000 0.455 84 D N 1.726 122.197 120.400 0.118 0.000 2.443 84 D HA 0.110 4.754 4.640 0.007 0.000 0.221 84 D C 0.573 176.811 176.300 -0.105 0.000 1.097 84 D CA -0.004 54.005 54.000 0.016 0.000 0.865 84 D CB 1.225 42.060 40.800 0.059 0.000 1.034 84 D HN 0.811 nan 8.370 nan 0.000 0.511 85 T N 1.092 115.457 114.554 -0.315 0.000 3.051 85 T HA -0.080 4.274 4.350 0.007 0.000 0.255 85 T C 1.910 176.400 174.700 -0.349 0.000 1.085 85 T CA -0.131 61.569 62.100 -0.666 0.000 1.109 85 T CB 0.113 68.474 68.868 -0.846 0.000 0.921 85 T HN 0.259 nan 8.240 nan 0.000 0.488 86 L N 2.487 123.577 121.223 -0.221 0.000 2.131 86 L HA 0.002 4.346 4.340 0.007 0.000 0.210 86 L C 2.610 179.315 176.870 -0.275 0.000 1.092 86 L CA 1.191 55.944 54.840 -0.144 0.000 0.759 86 L CB -0.972 41.087 42.059 -0.001 0.000 0.903 86 L HN 0.671 nan 8.230 nan 0.000 0.435 87 C N -1.809 117.133 119.300 -0.596 0.000 2.422 87 C HA 0.110 4.575 4.460 0.007 0.000 0.286 87 C C 2.757 177.518 174.990 -0.382 0.000 1.412 87 C CA 0.085 58.481 59.018 -1.038 0.000 1.786 87 C CB -2.253 24.845 27.740 -1.070 0.000 1.835 87 C HN 0.569 nan 8.230 nan 0.000 0.533 88 A N 0.169 122.885 122.820 -0.173 0.000 2.067 88 A HA -0.075 4.250 4.320 0.007 0.000 0.219 88 A C 2.305 179.872 177.584 -0.028 0.000 1.158 88 A CA 1.283 53.306 52.037 -0.023 0.000 0.661 88 A CB -0.413 18.638 19.000 0.085 0.000 0.801 88 A HN 0.679 nan 8.150 nan 0.000 0.452 89 Q N 0.046 119.815 119.800 -0.052 0.000 2.432 89 Q HA 0.055 4.399 4.340 0.007 0.000 0.205 89 Q C 0.860 176.875 176.000 0.025 0.000 0.945 89 Q CA 0.374 56.175 55.803 -0.002 0.000 0.924 89 Q CB -0.375 28.369 28.738 0.009 0.000 1.016 89 Q HN 0.513 nan 8.270 nan 0.000 0.503 90 S N 1.149 116.858 115.700 0.015 0.000 2.544 90 S HA -0.028 4.446 4.470 0.007 0.000 0.290 90 S C 0.891 175.522 174.600 0.052 0.000 1.276 90 S CA 0.083 58.325 58.200 0.070 0.000 1.075 90 S CB 0.458 63.715 63.200 0.095 0.000 0.849 90 S HN 0.117 nan 8.310 nan 0.000 0.494 91 Q N 2.195 122.030 119.800 0.059 0.000 2.246 91 Q HA 0.218 4.562 4.340 0.007 0.000 0.222 91 Q C -0.134 175.892 176.000 0.043 0.000 0.851 91 Q CA 0.172 56.003 55.803 0.047 0.000 0.945 91 Q CB 0.629 29.396 28.738 0.049 0.000 1.122 91 Q HN 0.798 nan 8.270 nan 0.000 0.508 92 Q N 1.383 121.213 119.800 0.049 0.000 2.330 92 Q HA 0.219 4.563 4.340 0.007 0.000 0.269 92 Q C -1.325 174.704 176.000 0.048 0.000 1.022 92 Q CA -0.363 55.465 55.803 0.041 0.000 0.796 92 Q CB 1.176 29.933 28.738 0.032 0.000 1.271 92 Q HN -0.134 nan 8.270 nan 0.000 0.450 93 D N 2.633 123.057 120.400 0.041 0.000 2.382 93 D HA 0.303 4.947 4.640 0.007 0.000 0.245 93 D C 0.280 176.607 176.300 0.045 0.000 1.120 93 D CA 0.382 54.408 54.000 0.043 0.000 0.890 93 D CB 1.168 41.989 40.800 0.035 0.000 1.201 93 D HN 0.702 nan 8.370 nan 0.000 0.433 94 G N 0.993 109.825 108.800 0.053 0.000 2.531 94 G HA2 0.303 4.268 3.960 0.007 0.000 0.281 94 G HA3 0.303 4.268 3.960 0.007 0.000 0.281 94 G C -1.591 173.336 174.900 0.045 0.000 1.382 94 G CA -0.655 44.475 45.100 0.051 0.000 1.045 94 G HN 0.303 nan 8.290 nan 0.000 0.533 95 P HA 0.120 nan 4.420 nan 0.000 0.235 95 P C 0.417 177.741 177.300 0.041 0.000 1.177 95 P CA 0.057 63.183 63.100 0.044 0.000 0.785 95 P CB 0.171 31.901 31.700 0.050 0.000 0.885 96 C N 1.153 120.480 119.300 0.045 0.000 2.604 96 C HA 0.530 4.994 4.460 0.007 0.000 0.396 96 C C 1.143 176.154 174.990 0.034 0.000 1.282 96 C CA 0.160 59.203 59.018 0.040 0.000 2.292 96 C CB 0.423 28.191 27.740 0.045 0.000 2.633 96 C HN 0.358 nan 8.230 nan 0.000 0.620 97 T N -1.156 113.415 114.554 0.028 0.000 2.883 97 T HA 0.424 4.778 4.350 0.007 0.000 0.296 97 T C -2.426 172.286 174.700 0.020 0.000 1.117 97 T CA -1.229 60.885 62.100 0.023 0.000 1.006 97 T CB 1.421 70.301 68.868 0.019 0.000 1.191 97 T HN 0.262 nan 8.240 nan 0.000 0.508 98 P HA 0.012 nan 4.420 nan 0.000 0.221 98 P C 1.590 178.896 177.300 0.011 0.000 1.145 98 P CA 0.484 63.592 63.100 0.013 0.000 0.795 98 P CB 0.164 31.870 31.700 0.010 0.000 0.775 99 R N -0.161 120.346 120.500 0.011 0.000 2.075 99 R HA 0.033 4.377 4.340 0.007 0.000 0.232 99 R C 1.236 177.543 176.300 0.011 0.000 1.126 99 R CA 1.237 57.343 56.100 0.010 0.000 0.963 99 R CB -0.552 29.754 30.300 0.010 0.000 0.858 99 R HN 0.298 nan 8.270 nan 0.000 0.435 100 R N -0.652 119.856 120.500 0.014 0.000 2.643 100 R HA 0.185 4.529 4.340 0.007 0.000 0.269 100 R C -1.318 174.995 176.300 0.020 0.000 1.037 100 R CA -0.670 55.439 56.100 0.015 0.000 0.894 100 R CB 0.353 30.662 30.300 0.015 0.000 1.238 100 R HN 0.025 nan 8.270 nan 0.000 0.459 101 C N 3.655 122.967 119.300 0.020 0.000 2.325 101 C HA 0.492 4.956 4.460 0.007 0.000 0.347 101 C C 0.327 175.338 174.990 0.034 0.000 1.263 101 C CA -0.562 58.472 59.018 0.027 0.000 1.806 101 C CB -0.818 26.934 27.740 0.020 0.000 2.405 101 C HN 0.659 nan 8.230 nan 0.000 0.537 102 L N 6.202 127.451 121.223 0.044 0.000 3.062 102 L HA 0.346 4.690 4.340 0.007 0.000 0.255 102 L C 1.912 178.824 176.870 0.070 0.000 1.274 102 L CA 0.670 55.541 54.840 0.052 0.000 1.047 102 L CB -0.091 41.996 42.059 0.048 0.000 1.402 102 L HN 1.022 nan 8.230 nan 0.000 0.550 103 G N -0.853 107.991 108.800 0.073 0.000 2.471 103 G HA2 -0.228 3.736 3.960 0.007 0.000 0.219 103 G HA3 -0.228 3.736 3.960 0.007 0.000 0.219 103 G C 1.483 176.467 174.900 0.140 0.000 1.125 103 G CA 1.039 46.198 45.100 0.097 0.000 0.775 103 G HN 0.526 nan 8.290 nan 0.000 0.548 104 S N -0.267 115.510 115.700 0.129 0.000 2.558 104 S HA 0.305 4.779 4.470 0.007 0.000 0.217 104 S C 0.927 175.631 174.600 0.173 0.000 0.975 104 S CA -0.487 57.809 58.200 0.160 0.000 0.912 104 S CB -0.126 63.142 63.200 0.113 0.000 0.776 104 S HN 0.137 nan 8.310 nan 0.000 0.526 105 L N 2.264 123.574 121.223 0.144 0.000 2.410 105 L HA 0.207 4.551 4.340 0.007 0.000 0.273 105 L C 1.482 178.473 176.870 0.201 0.000 1.152 105 L CA -0.452 54.471 54.840 0.139 0.000 0.855 105 L CB 0.825 42.942 42.059 0.097 0.000 1.129 105 L HN 0.048 nan 8.230 nan 0.000 0.463 106 V N 4.667 124.714 119.914 0.221 0.000 2.270 106 V HA -0.175 3.949 4.120 0.007 0.000 0.245 106 V C 0.986 177.208 176.094 0.213 0.000 1.043 106 V CA 1.435 63.925 62.300 0.317 0.000 1.014 106 V CB -0.205 31.785 31.823 0.278 0.000 0.645 106 V HN 0.572 nan 8.190 nan 0.000 0.447 107 L N 2.779 124.062 121.223 0.099 0.000 2.445 107 L HA 0.422 4.766 4.340 0.007 0.000 0.252 107 L C -2.402 174.506 176.870 0.064 0.000 1.105 107 L CA -1.189 53.683 54.840 0.053 0.000 0.943 107 L CB 0.705 42.715 42.059 -0.081 0.000 1.277 107 L HN 0.228 nan 8.230 nan 0.000 0.465 108 P HA 0.311 nan 4.420 nan 0.000 0.282 108 P C 0.018 177.356 177.300 0.064 0.000 1.259 108 P CA -0.716 62.425 63.100 0.067 0.000 0.826 108 P CB 1.387 33.129 31.700 0.071 0.000 1.064 109 R N 0.757 121.284 120.500 0.045 0.000 2.357 109 R HA -0.012 4.332 4.340 0.007 0.000 0.202 109 R C 1.269 177.595 176.300 0.043 0.000 1.047 109 R CA 0.538 56.662 56.100 0.040 0.000 1.034 109 R CB -0.012 30.304 30.300 0.026 0.000 0.875 109 R HN 0.400 nan 8.270 nan 0.000 0.473 110 K N 0.134 120.563 120.400 0.048 0.000 2.314 110 K HA 0.003 4.327 4.320 0.007 0.000 0.198 110 K C 1.417 178.042 176.600 0.042 0.000 1.045 110 K CA 0.410 56.722 56.287 0.042 0.000 0.988 110 K CB 0.195 32.719 32.500 0.041 0.000 0.783 110 K HN 0.104 nan 8.250 nan 0.000 0.484 111 L N 1.139 122.400 121.223 0.063 0.000 2.667 111 L HA 0.168 4.513 4.340 0.007 0.000 0.232 111 L C 0.358 177.281 176.870 0.089 0.000 1.138 111 L CA 0.291 55.160 54.840 0.049 0.000 0.921 111 L CB 0.122 42.214 42.059 0.054 0.000 1.180 111 L HN 0.016 nan 8.230 nan 0.000 0.487 112 Q N 0.095 119.956 119.800 0.102 0.000 2.309 112 Q HA 0.464 4.808 4.340 0.007 0.000 0.264 112 Q C -1.097 174.934 176.000 0.052 0.000 1.008 112 Q CA -0.527 55.340 55.803 0.107 0.000 0.853 112 Q CB 1.475 30.271 28.738 0.097 0.000 1.314 112 Q HN 0.301 nan 8.270 nan 0.000 0.448 113 T N 1.259 115.839 114.554 0.044 0.000 2.912 113 T HA 0.399 4.753 4.350 0.007 0.000 0.326 113 T C -0.228 174.478 174.700 0.010 0.000 1.080 113 T CA -0.835 61.277 62.100 0.019 0.000 1.000 113 T CB 0.940 69.814 68.868 0.010 0.000 1.008 113 T HN 0.661 nan 8.240 nan 0.000 0.473 114 R N 3.833 124.334 120.500 0.002 0.000 2.758 114 R HA 0.237 4.581 4.340 0.007 0.000 0.263 114 R C -1.717 174.573 176.300 -0.018 0.000 1.010 114 R CA -0.732 55.361 56.100 -0.012 0.000 1.114 114 R CB -0.028 30.266 30.300 -0.011 0.000 0.985 114 R HN 0.440 nan 8.270 nan 0.000 0.439 115 P HA 0.069 nan 4.420 nan 0.000 0.273 115 P C -1.329 175.958 177.300 -0.021 0.000 1.250 115 P CA -0.314 62.769 63.100 -0.028 0.000 0.793 115 P CB 0.925 32.601 31.700 -0.041 0.000 1.011 116 S N -0.169 115.519 115.700 -0.019 0.000 2.552 116 S HA 0.445 4.920 4.470 0.007 0.000 0.314 116 S C -1.560 173.034 174.600 -0.011 0.000 1.099 116 S CA -0.977 57.215 58.200 -0.014 0.000 1.070 116 S CB 1.304 64.495 63.200 -0.016 0.000 0.998 116 S HN 0.398 nan 8.310 nan 0.000 0.474 117 P HA 0.317 nan 4.420 nan 0.000 0.257 117 P C 0.361 177.660 177.300 -0.002 0.000 1.281 117 P CA 0.028 63.126 63.100 -0.004 0.000 0.826 117 P CB 0.035 31.733 31.700 -0.003 0.000 1.237 118 G N 1.248 110.046 108.800 -0.003 0.000 2.755 118 G HA2 0.471 4.436 3.960 0.007 0.000 0.297 118 G HA3 0.471 4.436 3.960 0.007 0.000 0.297 118 G C -3.365 171.532 174.900 -0.004 0.000 1.441 118 G CA -0.947 44.153 45.100 -0.001 0.000 0.964 118 G HN -0.217 nan 8.290 nan 0.000 0.540 119 P HA 0.240 nan 4.420 nan 0.000 0.269 119 P C -2.394 174.904 177.300 -0.002 0.000 1.215 119 P CA -0.830 62.266 63.100 -0.007 0.000 0.780 119 P CB 0.303 32.001 31.700 -0.002 0.000 0.898 120 P HA 0.142 nan 4.420 nan 0.000 0.271 120 P C -2.283 175.024 177.300 0.012 0.000 1.220 120 P CA -1.368 61.735 63.100 0.004 0.000 0.768 120 P CB -0.805 30.898 31.700 0.004 0.000 0.848 121 P HA -0.098 nan 4.420 nan 0.000 0.258 121 P C 0.993 178.304 177.300 0.018 0.000 1.172 121 P CA 0.335 63.443 63.100 0.014 0.000 0.762 121 P CB 0.230 31.937 31.700 0.012 0.000 0.764 122 A N 3.933 126.764 122.820 0.019 0.000 2.159 122 A HA -0.254 4.071 4.320 0.007 0.000 0.222 122 A C 1.893 179.488 177.584 0.018 0.000 1.163 122 A CA 1.865 53.915 52.037 0.022 0.000 0.664 122 A CB -0.634 18.377 19.000 0.019 0.000 0.803 122 A HN 0.492 nan 8.150 nan 0.000 0.470 123 E N -0.942 119.267 120.200 0.016 0.000 2.127 123 E HA -0.067 4.287 4.350 0.007 0.000 0.191 123 E C 2.219 178.829 176.600 0.018 0.000 0.964 123 E CA 1.212 57.620 56.400 0.013 0.000 0.832 123 E CB -0.374 29.332 29.700 0.010 0.000 0.790 123 E HN 0.902 nan 8.360 nan 0.000 0.465 124 Q N 0.774 120.587 119.800 0.021 0.000 2.079 124 Q HA -0.097 4.247 4.340 0.007 0.000 0.200 124 Q C 2.042 178.064 176.000 0.037 0.000 0.974 124 Q CA 1.147 56.966 55.803 0.026 0.000 0.840 124 Q CB -0.305 28.446 28.738 0.022 0.000 0.898 124 Q HN 0.273 nan 8.270 nan 0.000 0.430 125 L N 0.170 121.418 121.223 0.042 0.000 2.046 125 L HA -0.122 4.222 4.340 0.007 0.000 0.208 125 L C 2.181 179.094 176.870 0.072 0.000 1.077 125 L CA 1.341 56.222 54.840 0.069 0.000 0.747 125 L CB -0.663 41.440 42.059 0.073 0.000 0.896 125 L HN 0.460 nan 8.230 nan 0.000 0.432 126 L N 0.191 121.434 121.223 0.034 0.000 2.017 126 L HA -0.173 4.172 4.340 0.007 0.000 0.208 126 L C 2.928 179.803 176.870 0.008 0.000 1.073 126 L CA 2.087 56.925 54.840 -0.004 0.000 0.745 126 L CB -1.171 40.881 42.059 -0.012 0.000 0.894 126 L HN 0.435 nan 8.230 nan 0.000 0.432 127 S N -1.056 114.658 115.700 0.024 0.000 2.382 127 S HA -0.244 4.230 4.470 0.007 0.000 0.228 127 S C 1.757 176.394 174.600 0.062 0.000 1.027 127 S CA 1.013 59.233 58.200 0.034 0.000 0.991 127 S CB -0.448 62.771 63.200 0.031 0.000 0.823 127 S HN 0.520 nan 8.310 nan 0.000 0.469 128 Q N 1.181 121.028 119.800 0.077 0.000 2.123 128 Q HA 0.100 4.444 4.340 0.007 0.000 0.199 128 Q C 2.618 178.723 176.000 0.175 0.000 0.966 128 Q CA 1.223 57.095 55.803 0.115 0.000 0.845 128 Q CB -0.480 28.319 28.738 0.102 0.000 0.907 128 Q HN 0.731 nan 8.270 nan 0.000 0.439 129 A N 1.477 124.382 122.820 0.142 0.000 1.873 129 A HA -0.180 4.144 4.320 0.007 0.000 0.215 129 A C 2.029 179.673 177.584 0.101 0.000 1.186 129 A CA 1.174 53.280 52.037 0.116 0.000 0.616 129 A CB -0.368 18.481 19.000 -0.251 0.000 0.823 129 A HN 0.190 nan 8.150 nan 0.000 0.442 130 R N -0.540 119.985 120.500 0.043 0.000 2.081 130 R HA -0.175 4.169 4.340 0.007 0.000 0.235 130 R C 2.025 178.394 176.300 0.114 0.000 1.131 130 R CA 1.691 57.824 56.100 0.055 0.000 0.960 130 R CB -0.532 29.783 30.300 0.024 0.000 0.856 130 R HN 0.722 nan 8.270 nan 0.000 0.436 131 D N 0.157 120.636 120.400 0.132 0.000 2.097 131 D HA -0.211 4.434 4.640 0.007 0.000 0.195 131 D C 1.668 178.092 176.300 0.206 0.000 0.989 131 D CA 1.011 55.101 54.000 0.151 0.000 0.827 131 D CB -0.067 40.818 40.800 0.142 0.000 0.966 131 D HN 0.128 nan 8.370 nan 0.000 0.456 132 F N 0.901 120.939 119.950 0.147 0.000 2.134 132 F HA -0.090 4.440 4.527 0.006 0.000 0.299 132 F C 1.913 177.854 175.800 0.235 0.000 1.097 132 F CA 1.002 59.125 58.000 0.205 0.000 1.264 132 F CB -0.309 38.820 39.000 0.215 0.000 1.001 132 F HN 0.000 nan 8.300 nan 0.000 0.479 133 I N 0.987 121.525 120.570 -0.054 0.000 2.208 133 I HA -0.314 3.860 4.170 0.007 0.000 0.245 133 I C 1.940 178.048 176.117 -0.014 0.000 1.097 133 I CA 1.239 62.503 61.300 -0.060 0.000 1.363 133 I CB -1.705 36.378 38.000 0.138 0.000 1.051 133 I HN 0.227 nan 8.210 nan 0.000 0.413 134 N N 0.855 119.598 118.700 0.073 0.000 2.166 134 N HA -0.172 4.572 4.740 0.007 0.000 0.186 134 N C 1.841 177.317 175.510 -0.056 0.000 1.019 134 N CA 0.978 54.082 53.050 0.089 0.000 0.856 134 N CB -0.318 38.268 38.487 0.164 0.000 0.993 134 N HN 0.512 nan 8.380 nan 0.000 0.426 135 Q N -0.703 119.065 119.800 -0.053 0.000 2.079 135 Q HA -0.148 4.196 4.340 0.007 0.000 0.200 135 Q C 1.664 177.449 176.000 -0.358 0.000 0.974 135 Q CA 1.063 56.847 55.803 -0.032 0.000 0.840 135 Q CB -0.201 28.677 28.738 0.232 0.000 0.898 135 Q HN 0.433 nan 8.270 nan 0.000 0.430 136 Y N 0.140 119.988 120.300 -0.754 0.000 2.089 136 Y HA -0.290 4.263 4.550 0.006 0.000 0.282 136 Y C 1.778 177.130 175.900 -0.913 0.000 1.139 136 Y CA 1.576 58.955 58.100 -1.203 0.000 1.123 136 Y CB -0.583 37.230 38.460 -1.079 0.000 0.980 136 Y HN 0.066 nan 8.280 nan 0.000 0.493 137 Y N -0.193 119.653 120.300 -0.757 0.000 2.274 137 Y HA -0.229 4.325 4.550 0.008 0.000 0.290 137 Y C 2.808 178.377 175.900 -0.552 0.000 1.145 137 Y CA 1.821 59.477 58.100 -0.740 0.000 1.203 137 Y CB -0.658 37.264 38.460 -0.898 0.000 0.984 137 Y HN 0.091 nan 8.280 nan 0.000 0.533 138 S N -0.649 114.855 115.700 -0.325 0.000 2.382 138 S HA -0.217 4.257 4.470 0.007 0.000 0.228 138 S C 2.281 176.723 174.600 -0.263 0.000 1.027 138 S CA 1.358 59.436 58.200 -0.205 0.000 0.991 138 S CB -0.614 62.518 63.200 -0.114 0.000 0.823 138 S HN 0.653 nan 8.310 nan 0.000 0.469 139 S N 2.482 117.926 115.700 -0.426 0.000 2.399 139 S HA -0.065 4.409 4.470 0.007 0.000 0.231 139 S C 1.725 176.094 174.600 -0.384 0.000 1.022 139 S CA 1.163 59.135 58.200 -0.381 0.000 0.983 139 S CB -0.792 62.056 63.200 -0.586 0.000 0.803 139 S HN 0.734 nan 8.310 nan 0.000 0.480 140 I N -3.116 117.118 120.570 -0.560 0.000 3.883 140 I HA 0.368 4.542 4.170 0.007 0.000 0.326 140 I C -0.283 175.679 176.117 -0.258 0.000 1.283 140 I CA -0.366 60.673 61.300 -0.434 0.000 1.161 140 I CB -0.110 37.520 38.000 -0.618 0.000 1.012 140 I HN -0.095 nan 8.210 nan 0.000 0.421 141 K N 2.165 122.436 120.400 -0.215 0.000 3.181 141 K HA -0.123 4.202 4.320 0.007 0.000 0.269 141 K C -0.310 176.250 176.600 -0.067 0.000 1.097 141 K CA 0.417 56.634 56.287 -0.116 0.000 0.783 141 K CB -1.703 30.746 32.500 -0.086 0.000 1.267 141 K HN 0.544 nan 8.250 nan 0.000 0.484 142 R N -0.557 119.918 120.500 -0.042 0.000 2.668 142 R HA 0.105 4.449 4.340 0.007 0.000 0.435 142 R C 0.057 176.413 176.300 0.095 0.000 1.059 142 R CA -0.345 55.783 56.100 0.047 0.000 1.073 142 R CB 0.892 31.271 30.300 0.132 0.000 1.401 142 R HN 0.174 nan 8.270 nan 0.000 0.590 143 S N -0.220 115.526 115.700 0.077 0.000 2.533 143 S HA 0.328 4.802 4.470 0.007 0.000 0.282 143 S C 1.374 176.082 174.600 0.180 0.000 1.304 143 S CA 1.462 59.790 58.200 0.213 0.000 1.063 143 S CB 0.429 63.696 63.200 0.111 0.000 0.881 143 S HN 0.752 nan 8.310 nan 0.000 0.493 144 G N 3.184 112.107 108.800 0.206 0.000 2.225 144 G HA2 -0.305 3.660 3.960 0.007 0.000 0.254 144 G HA3 -0.305 3.660 3.960 0.007 0.000 0.254 144 G C 0.369 175.238 174.900 -0.052 0.000 0.988 144 G CA 0.519 45.591 45.100 -0.047 0.000 0.625 144 G HN 1.613 nan 8.290 nan 0.000 0.527 145 S N -0.440 115.263 115.700 0.006 0.000 2.598 145 S HA 0.357 4.832 4.470 0.007 0.000 0.256 145 S C 1.352 175.914 174.600 -0.064 0.000 1.350 145 S CA 0.919 59.107 58.200 -0.020 0.000 0.984 145 S CB 1.190 64.395 63.200 0.009 0.000 0.930 145 S HN 0.664 nan 8.310 nan 0.000 0.577 146 Q N 0.608 120.379 119.800 -0.049 0.000 2.119 146 Q HA -0.039 4.305 4.340 0.007 0.000 0.201 146 Q C 2.224 178.182 176.000 -0.070 0.000 0.972 146 Q CA 1.340 57.109 55.803 -0.056 0.000 0.847 146 Q CB -0.779 27.940 28.738 -0.030 0.000 0.903 146 Q HN 0.923 nan 8.270 nan 0.000 0.433 147 A N -0.084 122.702 122.820 -0.055 0.000 1.933 147 A HA -0.247 4.077 4.320 0.007 0.000 0.218 147 A C 1.826 179.233 177.584 -0.295 0.000 1.175 147 A CA 1.721 53.730 52.037 -0.046 0.000 0.628 147 A CB -0.972 18.092 19.000 0.107 0.000 0.814 147 A HN 0.708 nan 8.150 nan 0.000 0.444 148 H N -0.789 117.856 119.070 -0.708 0.000 2.293 148 H HA -0.110 4.451 4.556 0.008 0.000 0.300 148 H C 1.987 177.007 175.328 -0.513 0.000 1.082 148 H CA 1.204 56.580 56.048 -1.121 0.000 1.308 148 H CB 0.146 29.445 29.762 -0.773 0.000 1.375 148 H HN 0.381 nan 8.280 nan 0.000 0.495 149 E N 0.733 120.793 120.200 -0.234 0.000 2.110 149 E HA -0.161 4.193 4.350 0.007 0.000 0.193 149 E C 2.094 178.626 176.600 -0.113 0.000 0.988 149 E CA 0.984 57.264 56.400 -0.201 0.000 0.804 149 E CB -0.143 29.455 29.700 -0.170 0.000 0.745 149 E HN 0.679 nan 8.360 nan 0.000 0.458 150 E N 0.344 120.491 120.200 -0.089 0.000 2.072 150 E HA -0.173 4.181 4.350 0.007 0.000 0.191 150 E C 2.182 178.776 176.600 -0.009 0.000 0.985 150 E CA 0.832 57.209 56.400 -0.037 0.000 0.801 150 E CB -0.025 29.666 29.700 -0.015 0.000 0.750 150 E HN -0.074 nan 8.360 nan 0.000 0.452 151 R N 1.200 121.698 120.500 -0.003 0.000 2.081 151 R HA -0.084 4.260 4.340 0.007 0.000 0.235 151 R C 2.094 178.421 176.300 0.045 0.000 1.131 151 R CA 1.181 57.325 56.100 0.073 0.000 0.960 151 R CB -0.606 29.811 30.300 0.195 0.000 0.856 151 R HN 0.150 nan 8.270 nan 0.000 0.436 152 L N 0.174 121.405 121.223 0.014 0.000 2.079 152 L HA -0.214 4.130 4.340 0.007 0.000 0.210 152 L C 2.612 179.460 176.870 -0.037 0.000 1.081 152 L CA 1.643 56.476 54.840 -0.012 0.000 0.752 152 L CB -0.439 41.596 42.059 -0.042 0.000 0.896 152 L HN 0.358 nan 8.230 nan 0.000 0.433 153 Q N -0.497 119.284 119.800 -0.033 0.000 2.079 153 Q HA -0.262 4.083 4.340 0.007 0.000 0.200 153 Q C 2.158 178.153 176.000 -0.010 0.000 0.974 153 Q CA 1.587 57.374 55.803 -0.026 0.000 0.840 153 Q CB -0.065 28.659 28.738 -0.024 0.000 0.898 153 Q HN 0.481 nan 8.270 nan 0.000 0.430 154 E N 0.034 120.239 120.200 0.008 0.000 2.110 154 E HA -0.169 4.185 4.350 0.007 0.000 0.193 154 E C 1.916 178.534 176.600 0.030 0.000 0.988 154 E CA 1.039 57.458 56.400 0.032 0.000 0.804 154 E CB 0.238 29.973 29.700 0.059 0.000 0.745 154 E HN 0.132 nan 8.360 nan 0.000 0.458 155 V N 0.970 120.874 119.914 -0.017 0.000 2.307 155 V HA -0.217 3.907 4.120 0.007 0.000 0.245 155 V C 2.082 178.115 176.094 -0.103 0.000 1.045 155 V CA 2.028 64.259 62.300 -0.116 0.000 1.024 155 V CB -0.486 31.149 31.823 -0.314 0.000 0.651 155 V HN 0.248 nan 8.190 nan 0.000 0.449 156 E N 0.278 120.431 120.200 -0.078 0.000 2.051 156 E HA -0.201 4.153 4.350 0.007 0.000 0.192 156 E C 2.326 178.919 176.600 -0.012 0.000 0.991 156 E CA 1.425 57.796 56.400 -0.049 0.000 0.799 156 E CB -0.376 29.300 29.700 -0.040 0.000 0.748 156 E HN 0.585 nan 8.360 nan 0.000 0.449 157 A N 1.148 123.969 122.820 0.001 0.000 1.877 157 A HA -0.265 4.059 4.320 0.007 0.000 0.216 157 A C 2.041 179.648 177.584 0.038 0.000 1.186 157 A CA 1.560 53.608 52.037 0.019 0.000 0.620 157 A CB -0.493 18.521 19.000 0.022 0.000 0.822 157 A HN 0.190 nan 8.150 nan 0.000 0.443 158 E N -0.465 119.769 120.200 0.057 0.000 2.058 158 E HA -0.160 4.194 4.350 0.007 0.000 0.194 158 E C 2.009 178.665 176.600 0.093 0.000 0.997 158 E CA 1.645 58.104 56.400 0.097 0.000 0.801 158 E CB -0.158 29.635 29.700 0.156 0.000 0.746 158 E HN 0.385 nan 8.360 nan 0.000 0.450 159 V N 0.883 120.843 119.914 0.076 0.000 2.427 159 V HA -0.204 3.921 4.120 0.007 0.000 0.248 159 V C 2.284 178.406 176.094 0.046 0.000 1.051 159 V CA 1.533 63.876 62.300 0.071 0.000 1.048 159 V CB -0.579 31.277 31.823 0.055 0.000 0.666 159 V HN 0.320 nan 8.190 nan 0.000 0.456 160 A N -1.104 121.735 122.820 0.032 0.000 2.131 160 A HA -0.195 4.130 4.320 0.007 0.000 0.220 160 A C 2.449 180.051 177.584 0.030 0.000 1.158 160 A CA 2.210 54.262 52.037 0.025 0.000 0.665 160 A CB -0.317 18.692 19.000 0.016 0.000 0.795 160 A HN 0.486 nan 8.150 nan 0.000 0.460 161 S N -1.986 113.738 115.700 0.040 0.000 2.641 161 S HA -0.027 4.447 4.470 0.007 0.000 0.239 161 S C 1.942 176.570 174.600 0.047 0.000 1.081 161 S CA 1.280 59.504 58.200 0.041 0.000 0.904 161 S CB -0.135 63.091 63.200 0.044 0.000 0.803 161 S HN 0.754 nan 8.310 nan 0.000 0.510 162 T N -2.388 112.202 114.554 0.060 0.000 3.022 162 T HA 0.404 4.758 4.350 0.007 0.000 0.250 162 T C 1.477 176.206 174.700 0.049 0.000 1.060 162 T CA 1.035 63.173 62.100 0.063 0.000 1.013 162 T CB 0.229 69.153 68.868 0.093 0.000 0.982 162 T HN 0.936 nan 8.240 nan 0.000 0.508 163 G N 0.250 109.078 108.800 0.047 0.000 2.143 163 G HA2 -0.143 3.822 3.960 0.007 0.000 0.249 163 G HA3 -0.143 3.822 3.960 0.007 0.000 0.249 163 G C 0.163 175.083 174.900 0.035 0.000 0.981 163 G CA 0.554 45.676 45.100 0.037 0.000 0.665 163 G HN 1.096 nan 8.290 nan 0.000 0.528 164 T N -1.714 112.869 114.554 0.050 0.000 2.654 164 T HA 0.646 5.000 4.350 0.007 0.000 0.303 164 T C -1.318 173.434 174.700 0.088 0.000 1.656 164 T CA 0.457 62.574 62.100 0.027 0.000 0.971 164 T CB 1.106 69.907 68.868 -0.113 0.000 1.811 164 T HN 1.685 nan 8.240 nan 0.000 0.483 165 Y N -0.551 119.619 120.300 -0.217 0.000 2.728 165 Y HA 0.844 5.398 4.550 0.007 0.000 0.330 165 Y C -1.184 174.429 175.900 -0.478 0.000 1.234 165 Y CA -1.149 56.836 58.100 -0.192 0.000 1.070 165 Y CB 0.911 39.354 38.460 -0.029 0.000 1.300 165 Y HN 0.726 nan 8.280 nan 0.000 0.467 166 H N 1.087 120.182 119.070 0.042 0.000 2.690 166 H HA 0.557 5.118 4.556 0.007 0.000 0.368 166 H C -1.181 174.200 175.328 0.089 0.000 1.150 166 H CA -0.836 55.188 56.048 -0.041 0.000 1.174 166 H CB 2.599 32.374 29.762 0.022 0.000 1.684 166 H HN 0.603 nan 8.280 nan 0.000 0.538 167 L N 2.177 123.488 121.223 0.148 0.000 2.357 167 L HA 0.394 4.738 4.340 0.007 0.000 0.273 167 L C 0.952 177.900 176.870 0.129 0.000 1.080 167 L CA -0.684 54.265 54.840 0.182 0.000 0.803 167 L CB 0.906 43.053 42.059 0.147 0.000 1.174 167 L HN 0.347 nan 8.230 nan 0.000 0.443 168 R N 1.328 121.877 120.500 0.082 0.000 2.679 168 R HA 0.002 4.346 4.340 0.007 0.000 0.269 168 R C 1.175 177.469 176.300 -0.011 0.000 1.076 168 R CA -0.379 55.736 56.100 0.024 0.000 1.160 168 R CB 0.743 31.029 30.300 -0.022 0.000 1.054 168 R HN 0.681 nan 8.270 nan 0.000 0.507 169 E N 1.466 121.660 120.200 -0.011 0.000 2.097 169 E HA -0.254 4.100 4.350 0.007 0.000 0.196 169 E C 1.385 177.965 176.600 -0.034 0.000 1.000 169 E CA 2.268 58.654 56.400 -0.024 0.000 0.804 169 E CB 0.087 29.777 29.700 -0.017 0.000 0.740 169 E HN 0.688 nan 8.360 nan 0.000 0.454 170 S N 0.082 115.758 115.700 -0.040 0.000 2.423 170 S HA -0.136 4.339 4.470 0.007 0.000 0.231 170 S C 1.723 176.279 174.600 -0.074 0.000 1.014 170 S CA 1.150 59.341 58.200 -0.015 0.000 0.965 170 S CB -0.226 62.995 63.200 0.035 0.000 0.785 170 S HN 0.349 nan 8.310 nan 0.000 0.495 171 E N 0.815 120.862 120.200 -0.256 0.000 2.107 171 E HA 0.014 4.369 4.350 0.007 0.000 0.191 171 E C 1.994 178.703 176.600 0.180 0.000 0.982 171 E CA 0.856 57.124 56.400 -0.220 0.000 0.809 171 E CB -0.289 29.291 29.700 -0.201 0.000 0.756 171 E HN 0.430 nan 8.360 nan 0.000 0.459 172 L N 0.918 122.160 121.223 0.033 0.000 2.056 172 L HA -0.126 4.218 4.340 0.007 0.000 0.207 172 L C 2.171 179.003 176.870 -0.062 0.000 1.078 172 L CA 1.318 56.114 54.840 -0.073 0.000 0.749 172 L CB -0.222 41.742 42.059 -0.158 0.000 0.901 172 L HN -0.080 nan 8.230 nan 0.000 0.433 173 V N -0.407 119.506 119.914 -0.002 0.000 2.407 173 V HA -0.280 3.845 4.120 0.007 0.000 0.248 173 V C 2.296 178.460 176.094 0.115 0.000 1.055 173 V CA 1.943 64.254 62.300 0.019 0.000 1.049 173 V CB -0.927 30.915 31.823 0.031 0.000 0.662 173 V HN 0.575 nan 8.190 nan 0.000 0.455 174 F N 2.172 122.186 119.950 0.106 0.000 2.084 174 F HA 0.036 4.566 4.527 0.006 0.000 0.296 174 F C 2.201 178.128 175.800 0.212 0.000 1.111 174 F CA 1.708 59.833 58.000 0.210 0.000 1.224 174 F CB -1.005 38.199 39.000 0.340 0.000 0.991 174 F HN 0.118 nan 8.300 nan 0.000 0.471 175 G N -0.125 108.633 108.800 -0.070 0.000 2.422 175 G HA2 -0.197 3.767 3.960 0.007 0.000 0.218 175 G HA3 -0.197 3.767 3.960 0.007 0.000 0.218 175 G C 1.808 176.505 174.900 -0.338 0.000 1.146 175 G CA 0.851 45.778 45.100 -0.288 0.000 0.769 175 G HN 0.655 nan 8.290 nan 0.000 0.547 176 A N 0.823 123.497 122.820 -0.244 0.000 1.902 176 A HA 0.010 4.334 4.320 0.007 0.000 0.217 176 A C 2.303 179.847 177.584 -0.066 0.000 1.181 176 A CA 1.909 53.818 52.037 -0.214 0.000 0.623 176 A CB -0.319 18.593 19.000 -0.147 0.000 0.818 176 A HN 0.376 nan 8.150 nan 0.000 0.443 177 K N -1.122 119.286 120.400 0.013 0.000 2.148 177 K HA -0.139 4.185 4.320 0.007 0.000 0.204 177 K C 2.312 178.992 176.600 0.132 0.000 1.050 177 K CA 1.415 57.833 56.287 0.217 0.000 0.942 177 K CB -0.073 32.602 32.500 0.293 0.000 0.724 177 K HN 0.462 nan 8.250 nan 0.000 0.446 178 Q N 0.764 120.451 119.800 -0.187 0.000 2.123 178 Q HA -0.037 4.307 4.340 0.007 0.000 0.199 178 Q C 1.857 177.700 176.000 -0.261 0.000 0.966 178 Q CA 1.579 57.171 55.803 -0.351 0.000 0.845 178 Q CB -0.142 28.238 28.738 -0.597 0.000 0.907 178 Q HN 0.306 nan 8.270 nan 0.000 0.439 179 A N -0.460 122.191 122.820 -0.281 0.000 1.902 179 A HA -0.189 4.136 4.320 0.007 0.000 0.217 179 A C 1.824 179.383 177.584 -0.041 0.000 1.181 179 A CA 1.501 53.321 52.037 -0.362 0.000 0.623 179 A CB -1.187 17.276 19.000 -0.895 0.000 0.818 179 A HN 0.719 nan 8.150 nan 0.000 0.443 180 W N 0.891 122.152 121.300 -0.066 0.000 2.379 180 W HA -0.091 4.572 4.660 0.005 0.000 0.307 180 W C 2.310 178.800 176.519 -0.048 0.000 1.200 180 W CA 1.433 58.817 57.345 0.064 0.000 1.297 180 W CB -0.700 28.815 29.460 0.091 0.000 1.140 180 W HN 0.358 nan 8.180 nan 0.000 0.507 181 R N 0.361 120.808 120.500 -0.088 0.000 2.127 181 R HA -0.191 4.153 4.340 0.007 0.000 0.238 181 R C 1.481 177.622 176.300 -0.266 0.000 1.134 181 R CA 1.808 57.640 56.100 -0.446 0.000 0.975 181 R CB -0.519 29.221 30.300 -0.933 0.000 0.865 181 R HN 0.086 nan 8.270 nan 0.000 0.447 182 N N 0.204 118.799 118.700 -0.174 0.000 2.412 182 N HA 0.030 4.774 4.740 0.007 0.000 0.184 182 N C -0.409 175.048 175.510 -0.089 0.000 1.101 182 N CA 0.589 53.556 53.050 -0.139 0.000 0.881 182 N CB 0.465 38.867 38.487 -0.140 0.000 0.969 182 N HN 0.164 nan 8.380 nan 0.000 0.459 183 A N 1.904 124.720 122.820 -0.006 0.000 2.473 183 A HA 0.230 4.554 4.320 0.007 0.000 0.282 183 A C -1.262 176.294 177.584 -0.046 0.000 1.163 183 A CA -0.914 51.119 52.037 -0.006 0.000 0.827 183 A CB 0.304 19.353 19.000 0.082 0.000 1.098 183 A HN 0.019 nan 8.150 nan 0.000 0.515 184 P HA -0.120 nan 4.420 nan 0.000 0.218 184 P C 1.093 178.321 177.300 -0.120 0.000 1.149 184 P CA 1.150 64.176 63.100 -0.124 0.000 0.817 184 P CB 0.156 31.743 31.700 -0.187 0.000 0.785 185 R N -2.115 118.266 120.500 -0.199 0.000 2.310 185 R HA 0.139 4.483 4.340 0.007 0.000 0.202 185 R C 0.234 176.506 176.300 -0.046 0.000 0.933 185 R CA -0.107 55.873 56.100 -0.200 0.000 1.054 185 R CB -0.461 29.495 30.300 -0.574 0.000 0.985 185 R HN 0.181 nan 8.270 nan 0.000 0.489 186 C N 0.494 119.773 119.300 -0.034 0.000 2.265 186 C HA 0.238 4.702 4.460 0.007 0.000 0.332 186 C C 1.794 176.751 174.990 -0.056 0.000 1.248 186 C CA -0.700 58.330 59.018 0.020 0.000 1.727 186 C CB 0.641 28.464 27.740 0.139 0.000 2.348 186 C HN 0.286 nan 8.230 nan 0.000 0.519 187 V N 5.986 125.820 119.914 -0.134 0.000 3.541 187 V HA 0.228 4.352 4.120 0.007 0.000 0.267 187 V C 1.709 177.816 176.094 0.022 0.000 1.213 187 V CA 1.994 64.105 62.300 -0.315 0.000 1.149 187 V CB -0.091 31.552 31.823 -0.299 0.000 0.822 187 V HN 1.067 nan 8.190 nan 0.000 0.462 188 G N -0.590 108.266 108.800 0.093 0.000 3.371 188 G HA2 0.061 4.025 3.960 0.007 0.000 0.248 188 G HA3 0.061 4.025 3.960 0.007 0.000 0.248 188 G C 1.200 176.163 174.900 0.104 0.000 1.161 188 G CA -0.348 44.826 45.100 0.124 0.000 0.796 188 G HN 0.430 nan 8.290 nan 0.000 0.539 189 R N -0.150 120.341 120.500 -0.015 0.000 2.341 189 R HA 0.090 4.435 4.340 0.007 0.000 0.213 189 R C 1.939 177.824 176.300 -0.692 0.000 1.082 189 R CA 0.227 56.033 56.100 -0.490 0.000 1.017 189 R CB -0.152 29.836 30.300 -0.520 0.000 0.860 189 R HN 0.451 nan 8.270 nan 0.000 0.473 190 I N 0.823 121.180 120.570 -0.354 0.000 2.756 190 I HA -0.214 3.961 4.170 0.007 0.000 0.262 190 I C 1.151 177.192 176.117 -0.128 0.000 1.225 190 I CA 1.160 62.400 61.300 -0.101 0.000 1.472 190 I CB 0.174 38.216 38.000 0.070 0.000 1.094 190 I HN 0.205 nan 8.210 nan 0.000 0.454 191 Q N 0.360 120.012 119.800 -0.248 0.000 2.319 191 Q HA -0.071 4.273 4.340 0.007 0.000 0.202 191 Q C 1.597 177.175 176.000 -0.703 0.000 0.896 191 Q CA 0.174 55.816 55.803 -0.268 0.000 0.942 191 Q CB -0.135 28.601 28.738 -0.003 0.000 1.083 191 Q HN 0.772 nan 8.270 nan 0.000 0.510 192 W N 0.442 121.054 121.300 -1.146 0.000 2.313 192 W HA -0.163 4.504 4.660 0.011 0.000 0.293 192 W C 1.137 177.353 176.519 -0.505 0.000 1.216 192 W CA 1.304 57.837 57.345 -1.353 0.000 1.223 192 W CB -1.238 27.598 29.460 -1.040 0.000 1.138 192 W HN 0.064 nan 8.180 nan 0.000 0.535 193 G N 1.145 109.088 108.800 -1.428 0.000 2.448 193 G HA2 -0.209 3.755 3.960 0.007 0.000 0.218 193 G HA3 -0.209 3.755 3.960 0.007 0.000 0.218 193 G C 0.953 175.577 174.900 -0.460 0.000 1.135 193 G CA 0.201 44.597 45.100 -1.173 0.000 0.784 193 G HN 0.251 nan 8.290 nan 0.000 0.543 194 K N 0.267 120.501 120.400 -0.276 0.000 2.229 194 K HA 0.480 4.804 4.320 0.007 0.000 0.247 194 K C -1.508 175.170 176.600 0.131 0.000 1.117 194 K CA -0.548 55.712 56.287 -0.046 0.000 1.036 194 K CB 0.087 32.595 32.500 0.014 0.000 1.654 194 K HN 0.103 nan 8.250 nan 0.000 0.405 195 L N 2.903 124.191 121.223 0.108 0.000 2.438 195 L HA 0.314 4.659 4.340 0.007 0.000 0.270 195 L C -1.220 175.641 176.870 -0.015 0.000 0.972 195 L CA -0.479 54.456 54.840 0.159 0.000 0.831 195 L CB 1.889 44.129 42.059 0.301 0.000 1.273 195 L HN 0.358 nan 8.230 nan 0.000 0.405 196 Q N 3.547 123.285 119.800 -0.102 0.000 2.323 196 Q HA 0.407 4.752 4.340 0.007 0.000 0.257 196 Q C -1.467 174.187 176.000 -0.577 0.000 1.022 196 Q CA -0.045 55.524 55.803 -0.389 0.000 0.919 196 Q CB 0.963 29.392 28.738 -0.515 0.000 1.220 196 Q HN 0.524 nan 8.270 nan 0.000 0.427 197 V N 6.643 126.269 119.914 -0.481 0.000 2.334 197 V HA 0.286 4.410 4.120 0.007 0.000 0.267 197 V C -0.517 175.292 176.094 -0.476 0.000 1.040 197 V CA -0.434 61.632 62.300 -0.389 0.000 0.866 197 V CB -0.266 31.432 31.823 -0.208 0.000 1.019 197 V HN 0.612 nan 8.190 nan 0.000 0.468 198 F N 2.911 122.722 119.950 -0.231 0.000 2.421 198 F HA 0.310 4.838 4.527 0.003 0.000 0.358 198 F C 0.719 176.334 175.800 -0.307 0.000 1.115 198 F CA -0.841 57.007 58.000 -0.253 0.000 1.160 198 F CB 0.596 39.443 39.000 -0.256 0.000 1.123 198 F HN 0.396 nan 8.300 nan 0.000 0.508 199 D N 3.274 123.622 120.400 -0.087 0.000 2.336 199 D HA 0.365 5.009 4.640 0.007 0.000 0.249 199 D C 0.094 176.206 176.300 -0.312 0.000 1.213 199 D CA 0.147 54.031 54.000 -0.193 0.000 0.870 199 D CB 1.206 41.937 40.800 -0.117 0.000 1.076 199 D HN 0.629 nan 8.370 nan 0.000 0.483 200 A N 4.602 127.079 122.820 -0.571 0.000 2.637 200 A HA 0.153 4.477 4.320 0.007 0.000 0.293 200 A C 1.489 178.774 177.584 -0.499 0.000 1.216 200 A CA -0.390 51.078 52.037 -0.948 0.000 0.956 200 A CB 0.076 17.939 19.000 -1.894 0.000 1.174 200 A HN 0.538 nan 8.150 nan 0.000 0.525 201 R N 0.515 120.861 120.500 -0.255 0.000 2.357 201 R HA -0.081 4.264 4.340 0.007 0.000 0.202 201 R C 0.706 176.974 176.300 -0.054 0.000 1.047 201 R CA 1.223 57.258 56.100 -0.110 0.000 1.034 201 R CB 0.052 30.347 30.300 -0.007 0.000 0.875 201 R HN 0.694 nan 8.270 nan 0.000 0.473 202 D N -0.913 119.472 120.400 -0.025 0.000 2.366 202 D HA -0.068 4.577 4.640 0.007 0.000 0.205 202 D C 0.488 176.857 176.300 0.115 0.000 1.022 202 D CA -0.273 53.761 54.000 0.055 0.000 0.868 202 D CB -0.536 40.316 40.800 0.086 0.000 0.953 202 D HN -0.024 nan 8.370 nan 0.000 0.514 203 C N 1.968 121.344 119.300 0.127 0.000 2.437 203 C HA 0.245 4.709 4.460 0.007 0.000 0.399 203 C C 1.694 176.838 174.990 0.257 0.000 1.478 203 C CA 0.868 60.038 59.018 0.252 0.000 1.538 203 C CB -0.914 27.012 27.740 0.310 0.000 2.506 203 C HN 0.501 nan 8.230 nan 0.000 0.603 204 S N 2.591 118.485 115.700 0.323 0.000 2.733 204 S HA 0.320 4.794 4.470 0.007 0.000 0.247 204 S C -0.004 174.775 174.600 0.298 0.000 1.043 204 S CA 0.284 58.698 58.200 0.356 0.000 1.066 204 S CB -0.120 63.209 63.200 0.215 0.000 1.045 204 S HN 1.322 nan 8.310 nan 0.000 0.586 205 S N -0.426 115.451 115.700 0.295 0.000 2.570 205 S HA 0.804 5.278 4.470 0.007 0.000 0.270 205 S C 0.810 175.507 174.600 0.162 0.000 1.149 205 S CA -0.304 58.001 58.200 0.176 0.000 0.837 205 S CB 0.986 64.265 63.200 0.131 0.000 1.124 205 S HN 0.517 nan 8.310 nan 0.000 0.465 206 A N 0.865 123.740 122.820 0.092 0.000 1.933 206 A HA -0.085 4.239 4.320 0.007 0.000 0.218 206 A C 2.120 179.658 177.584 -0.076 0.000 1.175 206 A CA 2.213 54.276 52.037 0.044 0.000 0.628 206 A CB -1.217 17.874 19.000 0.150 0.000 0.814 206 A HN 0.919 nan 8.150 nan 0.000 0.444 207 Q N 0.057 119.911 119.800 0.090 0.000 2.061 207 Q HA -0.209 4.135 4.340 0.007 0.000 0.204 207 Q C 1.946 177.948 176.000 0.004 0.000 0.984 207 Q CA 2.334 58.176 55.803 0.066 0.000 0.846 207 Q CB -0.338 28.517 28.738 0.194 0.000 0.902 207 Q HN 0.754 nan 8.270 nan 0.000 0.421 208 E N -0.872 119.372 120.200 0.073 0.000 2.106 208 E HA -0.174 4.181 4.350 0.007 0.000 0.192 208 E C 1.912 178.628 176.600 0.193 0.000 0.984 208 E CA 1.125 57.587 56.400 0.103 0.000 0.806 208 E CB -0.079 29.726 29.700 0.174 0.000 0.750 208 E HN 0.460 nan 8.360 nan 0.000 0.458 209 M N -0.138 119.560 119.600 0.163 0.000 2.108 209 M HA -0.178 4.307 4.480 0.007 0.000 0.261 209 M C 2.160 178.529 176.300 0.113 0.000 1.066 209 M CA 1.324 56.696 55.300 0.119 0.000 1.107 209 M CB -0.391 32.055 32.600 -0.257 0.000 1.356 209 M HN 0.195 nan 8.290 nan 0.000 0.406 210 F N 1.386 121.141 119.950 -0.326 0.000 2.134 210 F HA -0.187 4.346 4.527 0.010 0.000 0.299 210 F C 2.318 178.024 175.800 -0.157 0.000 1.097 210 F CA 1.888 59.651 58.000 -0.395 0.000 1.264 210 F CB -0.875 37.599 39.000 -0.877 0.000 1.001 210 F HN 0.068 nan 8.300 nan 0.000 0.479 211 T N -0.488 113.920 114.554 -0.244 0.000 2.708 211 T HA -0.237 4.117 4.350 0.007 0.000 0.266 211 T C 1.754 176.304 174.700 -0.249 0.000 1.037 211 T CA 1.842 63.741 62.100 -0.335 0.000 1.146 211 T CB -0.812 67.897 68.868 -0.264 0.000 0.865 211 T HN 0.259 nan 8.240 nan 0.000 0.435 212 Y N 1.132 121.384 120.300 -0.080 0.000 2.165 212 Y HA -0.028 4.526 4.550 0.006 0.000 0.286 212 Y C 2.258 178.117 175.900 -0.068 0.000 1.155 212 Y CA 0.372 58.429 58.100 -0.070 0.000 1.164 212 Y CB -0.629 37.859 38.460 0.048 0.000 0.978 212 Y HN 0.195 nan 8.280 nan 0.000 0.513 213 I N -1.670 119.007 120.570 0.179 0.000 2.226 213 I HA -0.370 3.805 4.170 0.007 0.000 0.245 213 I C 2.346 178.429 176.117 -0.056 0.000 1.100 213 I CA 1.135 62.480 61.300 0.075 0.000 1.374 213 I CB -0.557 37.491 38.000 0.081 0.000 1.057 213 I HN 0.251 nan 8.210 nan 0.000 0.413 214 C N 0.642 119.803 119.300 -0.232 0.000 2.425 214 C HA -0.127 4.337 4.460 0.007 0.000 0.277 214 C C 2.621 177.518 174.990 -0.156 0.000 1.280 214 C CA 0.795 59.649 59.018 -0.273 0.000 1.744 214 C CB -1.396 26.036 27.740 -0.514 0.000 1.989 214 C HN 0.542 nan 8.230 nan 0.000 0.491 215 N N -0.179 118.418 118.700 -0.170 0.000 2.188 215 N HA -0.123 4.621 4.740 0.007 0.000 0.184 215 N C 1.456 176.871 175.510 -0.158 0.000 1.018 215 N CA 1.290 54.229 53.050 -0.185 0.000 0.858 215 N CB -0.710 37.610 38.487 -0.279 0.000 0.989 215 N HN 0.753 nan 8.380 nan 0.000 0.426 216 H N 0.617 119.545 119.070 -0.236 0.000 2.293 216 H HA 0.057 4.619 4.556 0.009 0.000 0.300 216 H C 2.131 177.480 175.328 0.035 0.000 1.082 216 H CA 1.538 57.508 56.048 -0.131 0.000 1.308 216 H CB -0.030 29.706 29.762 -0.043 0.000 1.375 216 H HN 0.077 nan 8.280 nan 0.000 0.495 217 I N 0.651 121.361 120.570 0.235 0.000 2.208 217 I HA -0.275 3.899 4.170 0.007 0.000 0.245 217 I C 2.386 178.575 176.117 0.121 0.000 1.097 217 I CA 1.447 62.843 61.300 0.159 0.000 1.363 217 I CB -0.253 37.770 38.000 0.037 0.000 1.051 217 I HN 0.321 nan 8.210 nan 0.000 0.413 218 K N -0.102 120.342 120.400 0.072 0.000 2.025 218 K HA -0.217 4.108 4.320 0.007 0.000 0.207 218 K C 2.239 178.895 176.600 0.093 0.000 1.049 218 K CA 1.647 57.966 56.287 0.054 0.000 0.933 218 K CB -0.371 32.137 32.500 0.013 0.000 0.714 218 K HN 0.238 nan 8.250 nan 0.000 0.438 219 Y N 1.405 121.715 120.300 0.017 0.000 2.114 219 Y HA -0.245 4.306 4.550 0.001 0.000 0.284 219 Y C 2.231 178.192 175.900 0.102 0.000 1.143 219 Y CA 1.618 59.761 58.100 0.072 0.000 1.135 219 Y CB -0.345 38.200 38.460 0.142 0.000 0.980 219 Y HN 0.046 nan 8.280 nan 0.000 0.499 220 A N -0.717 122.271 122.820 0.280 0.000 1.902 220 A HA -0.177 4.147 4.320 0.007 0.000 0.217 220 A C 2.195 179.848 177.584 0.115 0.000 1.181 220 A CA 2.289 54.453 52.037 0.212 0.000 0.623 220 A CB -1.311 17.872 19.000 0.305 0.000 0.818 220 A HN 0.531 nan 8.150 nan 0.000 0.443 221 T N -0.259 114.356 114.554 0.102 0.000 2.737 221 T HA -0.104 4.250 4.350 0.007 0.000 0.265 221 T C 1.146 175.855 174.700 0.015 0.000 1.038 221 T CA 1.225 63.369 62.100 0.073 0.000 1.144 221 T CB -0.406 68.501 68.868 0.065 0.000 0.866 221 T HN 0.633 nan 8.240 nan 0.000 0.434 222 N N 1.138 119.821 118.700 -0.029 0.000 2.701 222 N HA -0.258 4.486 4.740 0.007 0.000 0.250 222 N C -0.381 175.102 175.510 -0.045 0.000 1.046 222 N CA 0.626 53.631 53.050 -0.074 0.000 0.733 222 N CB -1.317 37.085 38.487 -0.142 0.000 0.973 222 N HN 0.534 nan 8.380 nan 0.000 0.541 223 R N -2.648 117.838 120.500 -0.023 0.000 3.525 223 R HA -0.194 4.150 4.340 0.007 0.000 0.276 223 R C 1.311 177.594 176.300 -0.028 0.000 1.116 223 R CA 1.160 57.246 56.100 -0.023 0.000 0.745 223 R CB -1.939 28.344 30.300 -0.028 0.000 1.185 223 R HN 0.886 nan 8.270 nan 0.000 0.454 224 G N -0.534 108.257 108.800 -0.016 0.000 2.284 224 G HA2 -0.328 3.636 3.960 0.007 0.000 0.216 224 G HA3 -0.328 3.636 3.960 0.007 0.000 0.216 224 G C -0.010 174.875 174.900 -0.025 0.000 1.009 224 G CA 0.029 45.118 45.100 -0.019 0.000 0.625 224 G HN 0.371 nan 8.290 nan 0.000 0.501 225 N N 1.600 120.273 118.700 -0.045 0.000 3.188 225 N HA 0.458 5.202 4.740 0.007 0.000 0.279 225 N C 0.440 175.916 175.510 -0.057 0.000 1.213 225 N CA -0.384 52.621 53.050 -0.076 0.000 1.138 225 N CB -0.395 38.043 38.487 -0.082 0.000 1.417 225 N HN 0.280 nan 8.380 nan 0.000 0.526 226 L N 1.706 122.924 121.223 -0.008 0.000 2.529 226 L HA 0.061 4.406 4.340 0.007 0.000 0.287 226 L C 0.893 177.864 176.870 0.168 0.000 1.241 226 L CA 1.010 55.914 54.840 0.107 0.000 0.857 226 L CB 0.210 42.421 42.059 0.254 0.000 1.113 226 L HN 0.296 nan 8.230 nan 0.000 0.504 227 R N 1.092 121.714 120.500 0.204 0.000 2.574 227 R HA 0.426 4.770 4.340 0.007 0.000 0.288 227 R C -0.803 175.668 176.300 0.286 0.000 1.004 227 R CA -0.706 55.539 56.100 0.241 0.000 0.895 227 R CB 1.749 32.059 30.300 0.016 0.000 1.191 227 R HN 0.572 nan 8.270 nan 0.000 0.444 228 S N 1.461 117.334 115.700 0.289 0.000 2.549 228 S HA 0.471 4.946 4.470 0.007 0.000 0.283 228 S C -0.220 174.440 174.600 0.101 0.000 1.320 228 S CA -0.154 58.117 58.200 0.119 0.000 1.058 228 S CB 1.152 64.388 63.200 0.060 0.000 0.882 228 S HN 0.701 nan 8.310 nan 0.000 0.498 229 A N 2.622 125.459 122.820 0.029 0.000 2.601 229 A HA 0.829 5.154 4.320 0.007 0.000 0.291 229 A C -1.315 176.287 177.584 0.031 0.000 1.075 229 A CA -0.689 51.307 52.037 -0.067 0.000 0.671 229 A CB 1.171 20.092 19.000 -0.132 0.000 1.277 229 A HN 0.815 nan 8.150 nan 0.000 0.417 230 I N 0.145 120.734 120.570 0.033 0.000 2.752 230 I HA 0.654 4.829 4.170 0.007 0.000 0.295 230 I C -1.358 174.867 176.117 0.180 0.000 1.219 230 I CA -0.160 61.284 61.300 0.240 0.000 1.030 230 I CB 2.441 40.554 38.000 0.188 0.000 1.259 230 I HN 0.604 nan 8.210 nan 0.000 0.423 231 T N 6.165 120.854 114.554 0.225 0.000 2.791 231 T HA 0.431 4.785 4.350 0.007 0.000 0.288 231 T C -0.737 173.792 174.700 -0.286 0.000 0.999 231 T CA -0.354 61.723 62.100 -0.038 0.000 0.952 231 T CB 1.487 70.319 68.868 -0.060 0.000 0.938 231 T HN 0.275 nan 8.240 nan 0.000 0.444 232 V N 5.179 124.850 119.914 -0.405 0.000 2.333 232 V HA 0.439 4.564 4.120 0.007 0.000 0.274 232 V C -0.288 175.508 176.094 -0.497 0.000 1.028 232 V CA -0.736 61.329 62.300 -0.391 0.000 0.851 232 V CB -0.349 31.190 31.823 -0.474 0.000 1.000 232 V HN 0.710 nan 8.190 nan 0.000 0.456 233 F N 5.323 125.187 119.950 -0.144 0.000 2.368 233 F HA 0.482 5.015 4.527 0.009 0.000 0.315 233 F C -1.746 173.948 175.800 -0.175 0.000 1.145 233 F CA -2.422 55.409 58.000 -0.280 0.000 1.095 233 F CB 0.218 39.030 39.000 -0.312 0.000 1.286 233 F HN 0.295 nan 8.300 nan 0.000 0.530 234 P HA -0.041 nan 4.420 nan 0.000 0.263 234 P C -0.909 176.416 177.300 0.042 0.000 1.175 234 P CA 0.015 63.051 63.100 -0.107 0.000 0.761 234 P CB 0.217 31.750 31.700 -0.278 0.000 0.794 235 Q N 3.282 123.027 119.800 -0.090 0.000 2.500 235 Q HA 0.171 4.515 4.340 0.007 0.000 0.215 235 Q C -0.050 175.843 176.000 -0.179 0.000 1.062 235 Q CA -0.500 55.020 55.803 -0.471 0.000 0.996 235 Q CB 0.588 28.707 28.738 -1.032 0.000 1.239 235 Q HN 0.307 nan 8.270 nan 0.000 0.578 236 R N -0.023 120.345 120.500 -0.219 0.000 2.421 236 R HA 0.291 4.635 4.340 0.007 0.000 0.305 236 R C -1.026 175.219 176.300 -0.091 0.000 1.039 236 R CA 0.304 56.349 56.100 -0.092 0.000 1.003 236 R CB 0.450 30.689 30.300 -0.103 0.000 0.959 236 R HN 0.650 nan 8.270 nan 0.000 0.427 237 A N 6.860 129.670 122.820 -0.017 0.000 2.331 237 A HA 0.482 4.807 4.320 0.007 0.000 0.320 237 A C -2.272 175.311 177.584 -0.001 0.000 1.138 237 A CA -1.830 50.202 52.037 -0.008 0.000 0.790 237 A CB 1.064 20.090 19.000 0.044 0.000 1.206 237 A HN 0.516 nan 8.150 nan 0.000 0.470 238 P HA 0.205 nan 4.420 nan 0.000 0.268 238 P C 0.689 177.996 177.300 0.012 0.000 1.204 238 P CA 1.449 64.549 63.100 -0.001 0.000 0.768 238 P CB 0.728 32.427 31.700 -0.001 0.000 0.842 239 G N 1.996 110.803 108.800 0.011 0.000 2.298 239 G HA2 -0.210 3.755 3.960 0.007 0.000 0.287 239 G HA3 -0.210 3.755 3.960 0.007 0.000 0.287 239 G C -0.027 174.883 174.900 0.018 0.000 1.075 239 G CA -0.081 45.028 45.100 0.014 0.000 0.960 239 G HN 0.882 nan 8.290 nan 0.000 0.502 240 R N -0.767 119.742 120.500 0.015 0.000 2.907 240 R HA 0.461 4.805 4.340 0.007 0.000 0.246 240 R C 0.573 176.878 176.300 0.009 0.000 1.082 240 R CA 0.041 56.151 56.100 0.016 0.000 1.003 240 R CB 0.352 30.672 30.300 0.033 0.000 1.261 240 R HN 0.963 nan 8.270 nan 0.000 0.474 241 G N 1.691 110.486 108.800 -0.008 0.000 2.667 241 G HA2 0.164 4.128 3.960 0.007 0.000 0.250 241 G HA3 0.164 4.128 3.960 0.007 0.000 0.250 241 G C -0.402 174.488 174.900 -0.017 0.000 1.212 241 G CA -0.251 44.840 45.100 -0.015 0.000 0.874 241 G HN 0.555 nan 8.290 nan 0.000 0.561 242 D N -0.863 119.539 120.400 0.004 0.000 2.340 242 D HA 0.340 4.984 4.640 0.007 0.000 0.251 242 D C -0.535 175.777 176.300 0.019 0.000 1.080 242 D CA 0.011 54.044 54.000 0.056 0.000 0.971 242 D CB 1.132 41.977 40.800 0.074 0.000 1.137 242 D HN 0.100 nan 8.370 nan 0.000 0.475 243 F N 1.179 121.157 119.950 0.047 0.000 2.411 243 F HA 0.321 4.854 4.527 0.009 0.000 0.355 243 F C 0.816 176.639 175.800 0.038 0.000 1.117 243 F CA -0.188 57.824 58.000 0.020 0.000 1.139 243 F CB 0.700 39.711 39.000 0.018 0.000 1.120 243 F HN -0.222 nan 8.300 nan 0.000 0.493 244 R N 4.440 125.051 120.500 0.186 0.000 2.673 244 R HA 0.517 4.861 4.340 0.007 0.000 0.281 244 R C -1.136 175.306 176.300 0.237 0.000 0.991 244 R CA -0.820 55.412 56.100 0.221 0.000 0.896 244 R CB 2.278 32.748 30.300 0.284 0.000 1.201 244 R HN 0.628 nan 8.270 nan 0.000 0.457 245 I N 2.425 123.119 120.570 0.207 0.000 2.328 245 I HA 0.146 4.320 4.170 0.007 0.000 0.287 245 I C 0.526 176.847 176.117 0.339 0.000 1.012 245 I CA -0.470 60.942 61.300 0.188 0.000 1.195 245 I CB 1.103 39.154 38.000 0.086 0.000 1.350 245 I HN 0.510 nan 8.210 nan 0.000 0.464 246 W N 3.551 124.891 121.300 0.066 0.000 2.402 246 W HA -0.095 4.569 4.660 0.007 0.000 0.286 246 W C 0.973 177.615 176.519 0.204 0.000 1.221 246 W CA 0.080 57.545 57.345 0.200 0.000 1.257 246 W CB -0.932 28.648 29.460 0.199 0.000 1.120 246 W HN 0.412 nan 8.180 nan 0.000 0.551 247 N N 0.091 118.961 118.700 0.284 0.000 2.479 247 N HA 0.004 4.748 4.740 0.007 0.000 0.257 247 N C 1.388 176.961 175.510 0.105 0.000 1.232 247 N CA 0.863 53.998 53.050 0.141 0.000 0.920 247 N CB 0.780 39.283 38.487 0.027 0.000 1.105 247 N HN -0.093 nan 8.380 nan 0.000 0.444 248 S N 1.009 116.762 115.700 0.087 0.000 2.406 248 S HA -0.061 4.413 4.470 0.007 0.000 0.228 248 S C 0.320 174.914 174.600 -0.011 0.000 1.020 248 S CA 0.769 59.004 58.200 0.059 0.000 0.965 248 S CB 0.040 63.293 63.200 0.089 0.000 0.798 248 S HN 0.656 nan 8.310 nan 0.000 0.488 249 Q N -0.813 118.962 119.800 -0.041 0.000 2.456 249 Q HA 0.504 4.849 4.340 0.007 0.000 0.284 249 Q C 0.273 176.179 176.000 -0.157 0.000 1.061 249 Q CA -0.593 55.141 55.803 -0.115 0.000 0.799 249 Q CB 1.878 30.569 28.738 -0.078 0.000 1.445 249 Q HN 0.107 nan 8.270 nan 0.000 0.411 250 L N -0.016 121.086 121.223 -0.202 0.000 2.083 250 L HA 0.003 4.348 4.340 0.007 0.000 0.209 250 L C 0.487 177.202 176.870 -0.259 0.000 1.083 250 L CA 0.932 55.656 54.840 -0.194 0.000 0.752 250 L CB 0.030 41.968 42.059 -0.201 0.000 0.899 250 L HN 0.268 nan 8.230 nan 0.000 0.433 251 V N 0.992 120.655 119.914 -0.418 0.000 2.409 251 V HA 0.481 4.606 4.120 0.007 0.000 0.291 251 V C -0.210 175.330 176.094 -0.922 0.000 1.020 251 V CA -0.645 61.237 62.300 -0.696 0.000 0.848 251 V CB 1.574 32.834 31.823 -0.938 0.000 0.990 251 V HN 0.204 nan 8.190 nan 0.000 0.430 252 R N 2.786 122.895 120.500 -0.651 0.000 2.643 252 R HA 0.476 4.820 4.340 0.007 0.000 0.269 252 R C -1.835 174.282 176.300 -0.304 0.000 1.037 252 R CA -0.818 55.035 56.100 -0.412 0.000 0.894 252 R CB 2.411 32.617 30.300 -0.157 0.000 1.238 252 R HN 0.557 nan 8.270 nan 0.000 0.459 253 Y N 0.407 120.716 120.300 0.015 0.000 2.301 253 Y HA 0.432 4.987 4.550 0.008 0.000 0.325 253 Y C 0.977 176.849 175.900 -0.046 0.000 1.203 253 Y CA -0.545 57.571 58.100 0.026 0.000 1.255 253 Y CB 1.043 39.589 38.460 0.143 0.000 1.232 253 Y HN 0.678 nan 8.280 nan 0.000 0.501 254 A N 1.404 124.259 122.820 0.059 0.000 2.386 254 A HA 0.571 4.895 4.320 0.007 0.000 0.248 254 A C 0.549 177.905 177.584 -0.380 0.000 1.082 254 A CA 0.217 52.120 52.037 -0.224 0.000 0.789 254 A CB -0.222 18.583 19.000 -0.325 0.000 1.025 254 A HN 0.943 nan 8.150 nan 0.000 0.490 255 G N 0.769 109.335 108.800 -0.390 0.000 2.814 255 G HA2 0.528 4.493 3.960 0.007 0.000 0.300 255 G HA3 0.528 4.493 3.960 0.007 0.000 0.300 255 G C -1.161 173.599 174.900 -0.235 0.000 1.406 255 G CA -0.241 44.688 45.100 -0.284 0.000 1.041 255 G HN 0.482 nan 8.290 nan 0.000 0.532 256 Y N 1.244 121.564 120.300 0.034 0.000 2.383 256 Y HA 0.377 4.932 4.550 0.007 0.000 0.344 256 Y C 1.022 176.925 175.900 0.005 0.000 0.986 256 Y CA -1.254 56.865 58.100 0.030 0.000 1.175 256 Y CB 1.109 39.583 38.460 0.024 0.000 1.152 256 Y HN 0.538 nan 8.280 nan 0.000 0.511 257 R N 3.762 124.354 120.500 0.153 0.000 2.351 257 R HA 0.100 4.445 4.340 0.007 0.000 0.318 257 R C -0.199 176.142 176.300 0.070 0.000 1.055 257 R CA -0.384 55.765 56.100 0.082 0.000 0.968 257 R CB 0.303 30.639 30.300 0.060 0.000 0.974 257 R HN 0.608 nan 8.270 nan 0.000 0.439 258 Q N 2.518 122.348 119.800 0.049 0.000 2.414 258 Q HA 0.003 4.347 4.340 0.007 0.000 0.206 258 Q C 0.925 176.934 176.000 0.015 0.000 1.058 258 Q CA -0.067 55.753 55.803 0.029 0.000 1.025 258 Q CB 0.516 29.266 28.738 0.021 0.000 1.196 258 Q HN 0.688 nan 8.270 nan 0.000 0.586 259 Q N 0.495 120.297 119.800 0.005 0.000 2.046 259 Q HA -0.170 4.174 4.340 0.007 0.000 0.200 259 Q C 1.191 177.192 176.000 0.002 0.000 0.975 259 Q CA 1.757 57.560 55.803 0.000 0.000 0.836 259 Q CB -0.065 28.669 28.738 -0.006 0.000 0.896 259 Q HN 0.663 nan 8.270 nan 0.000 0.428 260 D N -1.061 119.340 120.400 0.002 0.000 2.350 260 D HA -0.043 4.601 4.640 0.007 0.000 0.216 260 D C 1.205 177.508 176.300 0.005 0.000 0.968 260 D CA 1.194 55.196 54.000 0.002 0.000 0.894 260 D CB -0.082 40.718 40.800 0.001 0.000 0.909 260 D HN 0.410 nan 8.370 nan 0.000 0.520 261 G N -0.382 108.424 108.800 0.008 0.000 2.307 261 G HA2 -0.268 3.697 3.960 0.007 0.000 0.210 261 G HA3 -0.268 3.697 3.960 0.007 0.000 0.210 261 G C 0.619 175.527 174.900 0.012 0.000 1.005 261 G CA 0.243 45.349 45.100 0.011 0.000 0.634 261 G HN 0.813 nan 8.290 nan 0.000 0.496 262 S N -0.501 115.205 115.700 0.010 0.000 2.641 262 S HA 0.588 5.062 4.470 0.007 0.000 0.251 262 S C 0.169 174.774 174.600 0.009 0.000 1.332 262 S CA 0.461 58.665 58.200 0.007 0.000 0.968 262 S CB 1.706 64.909 63.200 0.004 0.000 0.987 262 S HN 1.238 nan 8.310 nan 0.000 0.587 263 V N 0.941 120.852 119.914 -0.005 0.000 2.638 263 V HA 0.516 4.640 4.120 0.007 0.000 0.306 263 V C -0.059 176.016 176.094 -0.031 0.000 1.052 263 V CA -0.779 61.515 62.300 -0.010 0.000 0.885 263 V CB 1.689 33.490 31.823 -0.037 0.000 0.999 263 V HN 0.923 nan 8.190 nan 0.000 0.424 264 R N 2.860 123.372 120.500 0.021 0.000 2.265 264 R HA 0.676 5.021 4.340 0.007 0.000 0.319 264 R C 0.603 176.874 176.300 -0.049 0.000 1.006 264 R CA 0.959 57.073 56.100 0.023 0.000 0.880 264 R CB 1.042 31.422 30.300 0.133 0.000 1.077 264 R HN 1.190 nan 8.270 nan 0.000 0.454 265 G N 2.957 111.648 108.800 -0.182 0.000 2.464 265 G HA2 -0.238 3.726 3.960 0.007 0.000 0.216 265 G HA3 -0.238 3.726 3.960 0.007 0.000 0.216 265 G C -1.308 173.269 174.900 -0.537 0.000 1.186 265 G CA -0.157 44.778 45.100 -0.274 0.000 1.010 265 G HN 0.621 nan 8.290 nan 0.000 0.585 266 D N 1.695 121.916 120.400 -0.298 0.000 2.359 266 D HA 0.546 5.191 4.640 0.007 0.000 0.230 266 D C -1.151 175.058 176.300 -0.152 0.000 1.118 266 D CA -1.835 52.006 54.000 -0.265 0.000 0.844 266 D CB 1.543 42.460 40.800 0.195 0.000 1.059 266 D HN -0.027 nan 8.370 nan 0.000 0.493 267 P HA -0.104 nan 4.420 nan 0.000 0.221 267 P C 0.896 178.194 177.300 -0.004 0.000 1.145 267 P CA 0.884 63.941 63.100 -0.073 0.000 0.795 267 P CB 0.337 32.000 31.700 -0.062 0.000 0.775 268 A N -0.245 122.587 122.820 0.022 0.000 1.969 268 A HA -0.130 4.194 4.320 0.007 0.000 0.218 268 A C 1.699 179.325 177.584 0.071 0.000 1.169 268 A CA 1.359 53.438 52.037 0.071 0.000 0.635 268 A CB -0.963 18.099 19.000 0.102 0.000 0.810 268 A HN 0.152 nan 8.150 nan 0.000 0.445 269 N N 0.138 118.869 118.700 0.051 0.000 2.322 269 N HA 0.117 4.861 4.740 0.007 0.000 0.216 269 N C 1.103 176.608 175.510 -0.007 0.000 1.144 269 N CA 0.208 53.277 53.050 0.031 0.000 0.830 269 N CB 0.529 39.033 38.487 0.028 0.000 1.034 269 N HN 0.235 nan 8.380 nan 0.000 0.484 270 V N 0.809 120.723 119.914 0.000 0.000 2.343 270 V HA -0.226 3.899 4.120 0.007 0.000 0.247 270 V C 2.421 178.513 176.094 -0.004 0.000 1.051 270 V CA 1.718 64.016 62.300 -0.004 0.000 1.036 270 V CB -0.259 31.570 31.823 0.010 0.000 0.654 270 V HN 0.377 nan 8.190 nan 0.000 0.451 271 E N -0.226 119.972 120.200 -0.004 0.000 2.047 271 E HA -0.232 4.122 4.350 0.007 0.000 0.191 271 E C 2.144 178.654 176.600 -0.152 0.000 0.987 271 E CA 1.446 57.812 56.400 -0.056 0.000 0.799 271 E CB -0.147 29.545 29.700 -0.012 0.000 0.752 271 E HN 0.486 nan 8.360 nan 0.000 0.449 272 I N 0.856 121.350 120.570 -0.127 0.000 2.286 272 I HA -0.221 3.953 4.170 0.007 0.000 0.248 272 I C 2.024 178.078 176.117 -0.105 0.000 1.115 272 I CA 1.561 62.764 61.300 -0.162 0.000 1.392 272 I CB -0.367 37.598 38.000 -0.058 0.000 1.065 272 I HN 0.098 nan 8.210 nan 0.000 0.418 273 T N 0.314 114.832 114.554 -0.060 0.000 2.746 273 T HA -0.186 4.168 4.350 0.007 0.000 0.267 273 T C 1.714 176.482 174.700 0.114 0.000 1.039 273 T CA 1.827 63.932 62.100 0.007 0.000 1.142 273 T CB -0.318 68.561 68.868 0.019 0.000 0.866 273 T HN 0.483 nan 8.240 nan 0.000 0.444 274 E N 0.534 120.770 120.200 0.060 0.000 2.268 274 E HA 0.032 4.386 4.350 0.007 0.000 0.195 274 E C 2.076 178.703 176.600 0.045 0.000 0.995 274 E CA 0.505 56.946 56.400 0.068 0.000 0.836 274 E CB -0.174 29.542 29.700 0.027 0.000 0.763 274 E HN 0.423 nan 8.360 nan 0.000 0.491 275 L N -0.045 121.172 121.223 -0.011 0.000 2.179 275 L HA -0.130 4.214 4.340 0.007 0.000 0.208 275 L C 2.369 179.344 176.870 0.174 0.000 1.096 275 L CA 0.426 55.293 54.840 0.044 0.000 0.779 275 L CB -0.129 41.869 42.059 -0.101 0.000 0.922 275 L HN 0.287 nan 8.230 nan 0.000 0.443 276 C N -0.071 119.285 119.300 0.093 0.000 2.446 276 C HA -0.126 4.338 4.460 0.007 0.000 0.277 276 C C 2.692 177.853 174.990 0.286 0.000 1.275 276 C CA 0.509 59.590 59.018 0.106 0.000 1.727 276 C CB -0.522 27.161 27.740 -0.094 0.000 2.010 276 C HN 0.417 nan 8.230 nan 0.000 0.486 277 I N 0.333 121.091 120.570 0.314 0.000 2.252 277 I HA -0.241 3.934 4.170 0.007 0.000 0.245 277 I C 2.592 178.776 176.117 0.112 0.000 1.102 277 I CA 1.462 62.911 61.300 0.247 0.000 1.385 277 I CB -0.590 37.532 38.000 0.202 0.000 1.064 277 I HN 0.436 nan 8.210 nan 0.000 0.414 278 Q N -0.277 119.564 119.800 0.068 0.000 2.291 278 Q HA -0.204 4.140 4.340 0.007 0.000 0.206 278 Q C 0.867 176.754 176.000 -0.187 0.000 0.976 278 Q CA 1.164 56.931 55.803 -0.060 0.000 0.875 278 Q CB -0.099 28.586 28.738 -0.089 0.000 0.927 278 Q HN 0.629 nan 8.270 nan 0.000 0.450 279 H N -1.681 117.386 119.070 -0.004 0.000 2.487 279 H HA 0.244 4.804 4.556 0.008 0.000 0.290 279 H C 0.675 175.986 175.328 -0.028 0.000 1.081 279 H CA 0.419 56.440 56.048 -0.046 0.000 1.116 279 H CB 0.805 30.502 29.762 -0.109 0.000 1.560 279 H HN 0.353 nan 8.280 nan 0.000 0.548 280 G N -0.058 108.785 108.800 0.071 0.000 2.157 280 G HA2 -0.271 3.693 3.960 0.007 0.000 0.239 280 G HA3 -0.271 3.693 3.960 0.007 0.000 0.239 280 G C -0.103 174.865 174.900 0.114 0.000 0.982 280 G CA -0.117 45.014 45.100 0.052 0.000 0.650 280 G HN 0.388 nan 8.290 nan 0.000 0.527 281 W N 2.487 123.772 121.300 -0.025 0.000 2.311 281 W HA 0.640 5.305 4.660 0.008 0.000 0.310 281 W C 0.247 176.762 176.519 -0.006 0.000 1.274 281 W CA 0.077 57.411 57.345 -0.019 0.000 1.215 281 W CB 0.799 30.258 29.460 -0.001 0.000 1.227 281 W HN 0.037 nan 8.180 nan 0.000 0.523 282 T N 9.851 124.084 114.554 -0.535 0.000 2.747 282 T HA 0.192 4.546 4.350 0.007 0.000 0.301 282 T C -2.042 171.947 174.700 -1.185 0.000 0.952 282 T CA -0.904 60.838 62.100 -0.596 0.000 0.983 282 T CB 0.380 69.044 68.868 -0.341 0.000 0.930 282 T HN 0.246 nan 8.240 nan 0.000 0.494 283 P HA 0.287 nan 4.420 nan 0.000 0.272 283 P C 0.384 177.276 177.300 -0.680 0.000 1.223 283 P CA -0.235 62.133 63.100 -1.221 0.000 0.784 283 P CB 0.972 32.331 31.700 -0.567 0.000 0.923 284 G N 0.919 109.466 108.800 -0.423 0.000 2.782 284 G HA2 0.356 4.321 3.960 0.007 0.000 0.201 284 G HA3 0.356 4.321 3.960 0.007 0.000 0.201 284 G C -0.158 174.475 174.900 -0.446 0.000 1.374 284 G CA -0.783 44.183 45.100 -0.224 0.000 1.039 284 G HN 0.779 nan 8.290 nan 0.000 0.576 285 N N -1.376 117.189 118.700 -0.225 0.000 2.577 285 N HA 0.301 5.045 4.740 0.007 0.000 0.285 285 N C 0.164 175.688 175.510 0.024 0.000 1.658 285 N CA -0.547 52.325 53.050 -0.297 0.000 0.865 285 N CB 0.830 39.147 38.487 -0.284 0.000 1.419 285 N HN 0.681 nan 8.380 nan 0.000 0.495 286 G N 0.199 109.132 108.800 0.221 0.000 2.601 286 G HA2 0.311 4.276 3.960 0.007 0.000 0.317 286 G HA3 0.311 4.276 3.960 0.007 0.000 0.317 286 G C 0.497 175.488 174.900 0.152 0.000 1.246 286 G CA -0.609 44.594 45.100 0.171 0.000 1.012 286 G HN 0.086 nan 8.290 nan 0.000 0.494 287 R N -1.147 119.328 120.500 -0.042 0.000 2.210 287 R HA 0.102 4.446 4.340 0.007 0.000 0.203 287 R C -0.107 175.752 176.300 -0.734 0.000 1.010 287 R CA 0.622 56.508 56.100 -0.357 0.000 1.008 287 R CB 0.082 30.064 30.300 -0.530 0.000 0.923 287 R HN 0.407 nan 8.270 nan 0.000 0.469 288 F N 1.061 120.940 119.950 -0.118 0.000 2.597 288 F HA 0.264 4.795 4.527 0.007 0.000 0.336 288 F C -0.683 175.041 175.800 -0.127 0.000 1.432 288 F CA -1.222 56.448 58.000 -0.549 0.000 1.120 288 F CB 0.577 39.142 39.000 -0.724 0.000 1.253 288 F HN -0.353 nan 8.300 nan 0.000 0.546 289 D N 1.513 122.053 120.400 0.233 0.000 2.347 289 D HA 0.214 4.859 4.640 0.007 0.000 0.235 289 D C 0.144 176.688 176.300 0.407 0.000 1.149 289 D CA 0.072 54.287 54.000 0.358 0.000 0.850 289 D CB 1.987 43.053 40.800 0.443 0.000 1.061 289 D HN -0.059 nan 8.370 nan 0.000 0.487 290 V N 3.806 123.932 119.914 0.353 0.000 2.529 290 V HA 0.015 4.140 4.120 0.007 0.000 0.292 290 V C 0.975 177.078 176.094 0.014 0.000 1.028 290 V CA -0.271 62.118 62.300 0.148 0.000 1.074 290 V CB 0.213 32.080 31.823 0.073 0.000 0.958 290 V HN 0.338 nan 8.190 nan 0.000 0.481 291 L N 8.092 129.216 121.223 -0.165 0.000 2.436 291 L HA 0.392 4.737 4.340 0.007 0.000 0.265 291 L C -1.693 174.932 176.870 -0.408 0.000 1.168 291 L CA -1.422 53.155 54.840 -0.438 0.000 0.815 291 L CB 1.009 42.821 42.059 -0.411 0.000 1.109 291 L HN 0.487 nan 8.230 nan 0.000 0.462 292 P HA 0.220 nan 4.420 nan 0.000 0.278 292 P C -1.179 175.948 177.300 -0.287 0.000 1.266 292 P CA -0.658 62.214 63.100 -0.380 0.000 0.807 292 P CB 1.134 32.541 31.700 -0.489 0.000 1.094 293 L N 1.054 122.182 121.223 -0.158 0.000 2.379 293 L HA 0.314 4.658 4.340 0.007 0.000 0.269 293 L C 0.394 177.203 176.870 -0.101 0.000 1.084 293 L CA -0.428 54.356 54.840 -0.092 0.000 0.802 293 L CB -0.077 41.980 42.059 -0.003 0.000 1.175 293 L HN 0.292 nan 8.230 nan 0.000 0.448 294 L N 3.972 125.133 121.223 -0.103 0.000 2.408 294 L HA 0.447 4.791 4.340 0.007 0.000 0.257 294 L C -0.542 176.191 176.870 -0.228 0.000 1.053 294 L CA 0.050 54.745 54.840 -0.243 0.000 0.922 294 L CB 0.368 42.249 42.059 -0.297 0.000 1.261 294 L HN 0.357 nan 8.230 nan 0.000 0.458 295 L N 3.013 124.166 121.223 -0.117 0.000 2.312 295 L HA 0.535 4.880 4.340 0.007 0.000 0.281 295 L C 0.040 176.814 176.870 -0.161 0.000 1.070 295 L CA -0.326 54.461 54.840 -0.088 0.000 0.805 295 L CB 1.331 43.355 42.059 -0.057 0.000 1.174 295 L HN 0.517 nan 8.230 nan 0.000 0.434 296 Q N 2.514 122.238 119.800 -0.127 0.000 2.309 296 Q HA 0.661 5.005 4.340 0.007 0.000 0.270 296 Q C -1.238 174.665 176.000 -0.161 0.000 1.023 296 Q CA -0.573 55.153 55.803 -0.130 0.000 0.758 296 Q CB 2.134 30.865 28.738 -0.011 0.000 1.247 296 Q HN 0.796 nan 8.270 nan 0.000 0.455 297 A N 4.820 127.495 122.820 -0.241 0.000 2.279 297 A HA 0.684 5.009 4.320 0.007 0.000 0.303 297 A C -2.449 174.850 177.584 -0.476 0.000 1.108 297 A CA -1.734 49.985 52.037 -0.530 0.000 0.830 297 A CB 0.279 19.096 19.000 -0.305 0.000 1.106 297 A HN 0.631 nan 8.150 nan 0.000 0.493 298 P HA -0.000 nan 4.420 nan 0.000 0.257 298 P C -0.474 176.731 177.300 -0.159 0.000 1.162 298 P CA 1.070 63.968 63.100 -0.336 0.000 0.762 298 P CB 0.113 31.631 31.700 -0.304 0.000 0.753 299 D N 0.040 120.389 120.400 -0.085 0.000 3.059 299 D HA -0.193 4.451 4.640 0.007 0.000 0.213 299 D C -0.161 176.122 176.300 -0.028 0.000 1.144 299 D CA 1.316 55.295 54.000 -0.035 0.000 0.975 299 D CB -0.750 40.035 40.800 -0.025 0.000 1.125 299 D HN 0.558 nan 8.370 nan 0.000 0.412 300 E N -0.084 120.085 120.200 -0.051 0.000 2.212 300 E HA 0.640 4.994 4.350 0.007 0.000 0.270 300 E C 0.101 176.679 176.600 -0.037 0.000 0.956 300 E CA -0.627 55.747 56.400 -0.043 0.000 0.825 300 E CB 1.520 31.182 29.700 -0.064 0.000 1.167 300 E HN 0.189 nan 8.360 nan 0.000 0.400 301 A N 3.180 125.981 122.820 -0.031 0.000 2.425 301 A HA 0.265 4.590 4.320 0.007 0.000 0.242 301 A C -2.053 175.429 177.584 -0.171 0.000 1.077 301 A CA -1.019 50.992 52.037 -0.044 0.000 0.781 301 A CB -0.370 18.628 19.000 -0.003 0.000 1.020 301 A HN 0.383 nan 8.150 nan 0.000 0.494 302 P HA 0.171 nan 4.420 nan 0.000 0.271 302 P C -0.730 176.299 177.300 -0.452 0.000 1.216 302 P CA 0.206 62.938 63.100 -0.613 0.000 0.771 302 P CB 0.682 31.520 31.700 -1.437 0.000 0.864 303 E N 1.314 121.337 120.200 -0.294 0.000 2.179 303 E HA 0.373 4.728 4.350 0.007 0.000 0.275 303 E C -0.604 175.756 176.600 -0.400 0.000 0.945 303 E CA -1.066 55.157 56.400 -0.296 0.000 0.792 303 E CB 1.329 30.919 29.700 -0.184 0.000 1.125 303 E HN 0.309 nan 8.360 nan 0.000 0.397 304 L N 3.558 124.448 121.223 -0.555 0.000 2.305 304 L HA 0.409 4.753 4.340 0.007 0.000 0.281 304 L C -1.554 174.807 176.870 -0.849 0.000 1.085 304 L CA 0.287 54.830 54.840 -0.495 0.000 0.813 304 L CB 0.045 41.926 42.059 -0.296 0.000 1.157 304 L HN 0.404 nan 8.230 nan 0.000 0.436 305 F N 4.071 123.785 119.950 -0.394 0.000 2.561 305 F HA 0.496 5.028 4.527 0.008 0.000 0.313 305 F C -0.373 175.126 175.800 -0.502 0.000 1.126 305 F CA -0.869 56.745 58.000 -0.644 0.000 0.918 305 F CB 1.923 40.180 39.000 -1.238 0.000 1.199 305 F HN 0.048 nan 8.300 nan 0.000 0.444 306 V N 4.519 124.314 119.914 -0.198 0.000 2.439 306 V HA 0.327 4.452 4.120 0.007 0.000 0.282 306 V C 0.117 176.298 176.094 0.145 0.000 1.039 306 V CA -0.781 61.508 62.300 -0.019 0.000 0.913 306 V CB 1.519 33.376 31.823 0.057 0.000 0.983 306 V HN 0.544 nan 8.190 nan 0.000 0.460 307 L N 6.950 128.279 121.223 0.176 0.000 2.367 307 L HA 0.309 4.653 4.340 0.007 0.000 0.275 307 L C -2.152 174.824 176.870 0.177 0.000 1.129 307 L CA -1.497 53.496 54.840 0.254 0.000 0.839 307 L CB 0.812 42.952 42.059 0.136 0.000 1.133 307 L HN 0.437 nan 8.230 nan 0.000 0.453 308 P HA 0.093 nan 4.420 nan 0.000 0.266 308 P C -2.033 175.314 177.300 0.079 0.000 1.215 308 P CA -1.004 62.164 63.100 0.114 0.000 0.763 308 P CB 0.477 32.230 31.700 0.088 0.000 0.806 309 P HA -0.242 nan 4.420 nan 0.000 0.217 309 P C 0.919 178.247 177.300 0.046 0.000 1.151 309 P CA 1.540 64.679 63.100 0.064 0.000 0.849 309 P CB -0.016 31.725 31.700 0.069 0.000 0.787 310 E N -1.294 118.930 120.200 0.039 0.000 2.265 310 E HA -0.136 4.218 4.350 0.007 0.000 0.196 310 E C 1.668 178.280 176.600 0.020 0.000 0.996 310 E CA 0.763 57.179 56.400 0.026 0.000 0.832 310 E CB -1.003 28.709 29.700 0.021 0.000 0.756 310 E HN 0.190 nan 8.360 nan 0.000 0.491 311 L N -0.033 121.203 121.223 0.021 0.000 2.131 311 L HA 0.003 4.348 4.340 0.007 0.000 0.206 311 L C 0.481 177.361 176.870 0.016 0.000 1.087 311 L CA 0.741 55.588 54.840 0.012 0.000 0.767 311 L CB 0.109 42.170 42.059 0.003 0.000 0.917 311 L HN -0.059 nan 8.230 nan 0.000 0.441 312 V N 1.959 121.885 119.914 0.020 0.000 2.338 312 V HA 0.097 4.221 4.120 0.007 0.000 0.255 312 V C 0.034 176.147 176.094 0.033 0.000 1.082 312 V CA -0.595 61.715 62.300 0.016 0.000 0.951 312 V CB 0.447 32.273 31.823 0.005 0.000 1.102 312 V HN 0.027 nan 8.190 nan 0.000 0.489 313 L N 6.006 127.252 121.223 0.038 0.000 2.319 313 L HA 0.458 4.802 4.340 0.007 0.000 0.280 313 L C 0.165 177.064 176.870 0.047 0.000 1.099 313 L CA 0.670 55.528 54.840 0.030 0.000 0.828 313 L CB 0.531 42.601 42.059 0.019 0.000 1.150 313 L HN 0.647 nan 8.230 nan 0.000 0.442 314 E N 3.229 123.441 120.200 0.019 0.000 2.320 314 E HA 0.633 4.987 4.350 0.007 0.000 0.264 314 E C -1.447 175.103 176.600 -0.084 0.000 0.923 314 E CA -1.050 55.361 56.400 0.019 0.000 0.796 314 E CB 2.454 32.193 29.700 0.064 0.000 1.262 314 E HN 0.378 nan 8.360 nan 0.000 0.428 315 V N 2.972 122.807 119.914 -0.132 0.000 2.443 315 V HA 0.311 4.436 4.120 0.007 0.000 0.293 315 V C -2.340 173.691 176.094 -0.105 0.000 1.021 315 V CA -1.804 60.360 62.300 -0.228 0.000 0.848 315 V CB 1.419 32.872 31.823 -0.617 0.000 0.998 315 V HN 0.546 nan 8.190 nan 0.000 0.424 316 P HA 0.293 nan 4.420 nan 0.000 0.282 316 P C -0.683 176.625 177.300 0.013 0.000 1.262 316 P CA -0.173 62.901 63.100 -0.044 0.000 0.773 316 P CB 1.140 32.822 31.700 -0.031 0.000 0.879 317 L N 3.964 125.229 121.223 0.070 0.000 2.331 317 L HA 0.341 4.685 4.340 0.007 0.000 0.278 317 L C 1.215 178.239 176.870 0.258 0.000 1.106 317 L CA -0.004 54.940 54.840 0.173 0.000 0.824 317 L CB 0.206 42.426 42.059 0.268 0.000 1.142 317 L HN 0.500 nan 8.230 nan 0.000 0.443 318 E N 1.982 122.302 120.200 0.201 0.000 2.416 318 E HA 0.415 4.770 4.350 0.007 0.000 0.273 318 E C -1.294 175.332 176.600 0.043 0.000 0.935 318 E CA -0.966 55.565 56.400 0.218 0.000 0.784 318 E CB 2.163 31.968 29.700 0.176 0.000 1.301 318 E HN 0.470 nan 8.360 nan 0.000 0.454 319 H N 1.562 120.507 119.070 -0.208 0.000 2.457 319 H HA 0.226 4.786 4.556 0.008 0.000 0.335 319 H C -1.742 173.279 175.328 -0.512 0.000 1.115 319 H CA -2.320 53.441 56.048 -0.479 0.000 1.219 319 H CB 2.065 31.469 29.762 -0.597 0.000 1.471 319 H HN 0.443 nan 8.280 nan 0.000 0.491 320 P HA -0.128 nan 4.420 nan 0.000 0.221 320 P C 0.853 177.973 177.300 -0.301 0.000 1.145 320 P CA 1.602 64.180 63.100 -0.870 0.000 0.795 320 P CB 0.517 31.686 31.700 -0.886 0.000 0.775 321 T N -4.023 110.507 114.554 -0.041 0.000 3.176 321 T HA 0.167 4.522 4.350 0.007 0.000 0.259 321 T C 0.973 175.649 174.700 -0.040 0.000 0.978 321 T CA -0.289 61.814 62.100 0.006 0.000 1.050 321 T CB -0.679 68.209 68.868 0.034 0.000 1.136 321 T HN -0.074 nan 8.240 nan 0.000 0.465 322 L N 3.057 124.204 121.223 -0.126 0.000 2.536 322 L HA 0.262 4.607 4.340 0.007 0.000 0.282 322 L C 1.361 177.922 176.870 -0.515 0.000 1.174 322 L CA -0.055 54.447 54.840 -0.563 0.000 0.989 322 L CB 0.011 41.341 42.059 -1.215 0.000 1.311 322 L HN 0.354 nan 8.230 nan 0.000 0.455 323 E N 3.230 123.279 120.200 -0.251 0.000 2.209 323 E HA -0.215 4.140 4.350 0.007 0.000 0.196 323 E C 1.627 178.204 176.600 -0.037 0.000 0.993 323 E CA 1.564 57.910 56.400 -0.089 0.000 0.819 323 E CB 0.013 29.724 29.700 0.017 0.000 0.745 323 E HN 0.841 nan 8.360 nan 0.000 0.477 324 W N -0.204 121.146 121.300 0.083 0.000 2.595 324 W HA -0.031 4.633 4.660 0.008 0.000 0.257 324 W C 1.477 178.044 176.519 0.080 0.000 1.267 324 W CA -0.204 57.177 57.345 0.061 0.000 1.300 324 W CB -0.829 28.644 29.460 0.023 0.000 1.120 324 W HN -0.058 nan 8.180 nan 0.000 0.618 325 F N 3.043 122.717 119.950 -0.460 0.000 2.161 325 F HA -0.128 4.403 4.527 0.007 0.000 0.300 325 F C 2.668 178.476 175.800 0.015 0.000 1.089 325 F CA 2.740 60.580 58.000 -0.268 0.000 1.282 325 F CB -0.657 38.055 39.000 -0.480 0.000 1.010 325 F HN -0.072 nan 8.300 nan 0.000 0.485 326 A N 0.055 123.007 122.820 0.220 0.000 1.940 326 A HA -0.089 4.235 4.320 0.007 0.000 0.219 326 A C 2.331 179.984 177.584 0.115 0.000 1.176 326 A CA 1.583 53.726 52.037 0.178 0.000 0.631 326 A CB -1.461 17.617 19.000 0.130 0.000 0.814 326 A HN 0.426 nan 8.150 nan 0.000 0.446 327 A N -1.027 121.866 122.820 0.121 0.000 2.172 327 A HA 0.098 4.422 4.320 0.007 0.000 0.216 327 A C 1.756 179.384 177.584 0.073 0.000 1.154 327 A CA 1.180 53.279 52.037 0.103 0.000 0.701 327 A CB -0.395 18.683 19.000 0.130 0.000 0.789 327 A HN 0.370 nan 8.150 nan 0.000 0.465 328 L N -0.911 120.332 121.223 0.033 0.000 2.362 328 L HA 0.056 4.400 4.340 0.007 0.000 0.219 328 L C 1.907 178.801 176.870 0.040 0.000 1.134 328 L CA 1.307 56.140 54.840 -0.013 0.000 0.807 328 L CB -1.245 40.697 42.059 -0.195 0.000 0.927 328 L HN 0.679 nan 8.230 nan 0.000 0.447 329 G N -0.631 108.198 108.800 0.050 0.000 2.176 329 G HA2 -0.285 3.679 3.960 0.007 0.000 0.252 329 G HA3 -0.285 3.679 3.960 0.007 0.000 0.252 329 G C 0.317 175.249 174.900 0.053 0.000 1.024 329 G CA 0.339 45.482 45.100 0.071 0.000 0.755 329 G HN 0.315 nan 8.290 nan 0.000 0.507 330 L N 0.066 121.291 121.223 0.004 0.000 2.375 330 L HA 0.790 5.135 4.340 0.007 0.000 0.271 330 L C 1.086 177.771 176.870 -0.307 0.000 1.107 330 L CA -0.666 54.107 54.840 -0.112 0.000 0.806 330 L CB 0.968 43.064 42.059 0.061 0.000 1.146 330 L HN 0.547 nan 8.230 nan 0.000 0.447 331 R N 1.759 121.824 120.500 -0.724 0.000 2.733 331 R HA 0.495 4.839 4.340 0.007 0.000 0.272 331 R C -2.170 174.012 176.300 -0.197 0.000 1.029 331 R CA -0.985 54.859 56.100 -0.427 0.000 0.888 331 R CB 1.869 31.884 30.300 -0.474 0.000 1.251 331 R HN 0.658 nan 8.270 nan 0.000 0.464 332 W N 1.735 122.969 121.300 -0.110 0.000 3.213 332 W HA 0.331 4.995 4.660 0.007 0.000 0.318 332 W C -1.158 175.436 176.519 0.126 0.000 1.248 332 W CA -0.964 56.412 57.345 0.051 0.000 1.187 332 W CB 1.940 31.358 29.460 -0.069 0.000 1.403 332 W HN 0.689 nan 8.180 nan 0.000 0.556 333 Y N 1.189 121.364 120.300 -0.209 0.000 2.326 333 Y HA 0.504 5.058 4.550 0.007 0.000 0.333 333 Y C 0.807 176.907 175.900 0.334 0.000 1.240 333 Y CA 0.243 58.327 58.100 -0.027 0.000 1.365 333 Y CB 0.217 38.535 38.460 -0.235 0.000 1.289 333 Y HN 0.347 nan 8.280 nan 0.000 0.548 334 A N 2.254 125.325 122.820 0.418 0.000 2.072 334 A HA 0.109 4.433 4.320 0.007 0.000 0.216 334 A C 0.378 178.276 177.584 0.524 0.000 1.156 334 A CA 0.244 52.567 52.037 0.477 0.000 0.701 334 A CB -0.255 18.863 19.000 0.198 0.000 0.816 334 A HN 0.678 nan 8.150 nan 0.000 0.458 335 L N 1.814 123.307 121.223 0.451 0.000 2.276 335 L HA 0.423 4.767 4.340 0.007 0.000 0.286 335 L C -2.573 174.413 176.870 0.194 0.000 1.024 335 L CA -2.140 52.858 54.840 0.263 0.000 0.826 335 L CB 1.743 43.896 42.059 0.156 0.000 1.211 335 L HN -0.052 nan 8.230 nan 0.000 0.422 336 P HA 0.284 nan 4.420 nan 0.000 0.283 336 P C -1.310 175.884 177.300 -0.175 0.000 1.412 336 P CA -0.288 62.658 63.100 -0.257 0.000 0.912 336 P CB 1.200 32.380 31.700 -0.866 0.000 1.132 337 A N 4.746 127.470 122.820 -0.159 0.000 2.536 337 A HA 0.390 4.714 4.320 0.007 0.000 0.329 337 A C 0.026 177.366 177.584 -0.406 0.000 1.321 337 A CA -0.656 51.208 52.037 -0.289 0.000 0.804 337 A CB 0.493 19.338 19.000 -0.258 0.000 1.126 337 A HN 0.297 nan 8.150 nan 0.000 0.480 338 V N 2.647 122.152 119.914 -0.682 0.000 2.585 338 V HA 0.192 4.317 4.120 0.007 0.000 0.296 338 V C 1.242 176.918 176.094 -0.696 0.000 1.035 338 V CA 1.306 63.179 62.300 -0.712 0.000 1.084 338 V CB 0.980 32.215 31.823 -0.981 0.000 0.953 338 V HN 1.058 nan 8.190 nan 0.000 0.483 339 S N 1.461 116.968 115.700 -0.322 0.000 2.787 339 S HA 0.056 4.530 4.470 0.007 0.000 0.255 339 S C 0.778 175.361 174.600 -0.028 0.000 1.051 339 S CA 0.057 58.157 58.200 -0.167 0.000 1.124 339 S CB -0.404 62.728 63.200 -0.113 0.000 1.104 339 S HN 0.909 nan 8.310 nan 0.000 0.623 340 N N 0.513 119.207 118.700 -0.011 0.000 2.205 340 N HA 0.280 5.025 4.740 0.007 0.000 0.201 340 N C 0.231 175.798 175.510 0.094 0.000 1.128 340 N CA -0.476 52.604 53.050 0.049 0.000 0.867 340 N CB 0.041 38.553 38.487 0.042 0.000 0.996 340 N HN 0.270 nan 8.380 nan 0.000 0.503 341 M N 1.530 121.207 119.600 0.130 0.000 2.274 341 M HA 0.252 4.736 4.480 0.007 0.000 0.344 341 M C -0.456 175.998 176.300 0.257 0.000 1.161 341 M CA -0.668 54.763 55.300 0.218 0.000 1.126 341 M CB 2.244 35.017 32.600 0.289 0.000 1.522 341 M HN 0.157 nan 8.290 nan 0.000 0.461 342 L N 3.718 125.077 121.223 0.227 0.000 2.292 342 L HA 0.464 4.809 4.340 0.007 0.000 0.284 342 L C -1.165 175.840 176.870 0.226 0.000 1.065 342 L CA -0.863 54.098 54.840 0.202 0.000 0.806 342 L CB 0.943 43.071 42.059 0.115 0.000 1.175 342 L HN 0.591 nan 8.230 nan 0.000 0.431 343 L N 5.499 126.851 121.223 0.216 0.000 2.264 343 L HA 0.444 4.788 4.340 0.007 0.000 0.289 343 L C -0.500 176.394 176.870 0.040 0.000 1.044 343 L CA 0.281 55.136 54.840 0.025 0.000 0.807 343 L CB 1.073 43.128 42.059 -0.006 0.000 1.192 343 L HN 0.638 nan 8.230 nan 0.000 0.425 344 E N 6.673 126.815 120.200 -0.097 0.000 2.145 344 E HA 0.413 4.767 4.350 0.007 0.000 0.270 344 E C -1.615 174.893 176.600 -0.154 0.000 0.906 344 E CA -0.437 55.919 56.400 -0.073 0.000 0.761 344 E CB 1.154 30.812 29.700 -0.070 0.000 1.116 344 E HN 0.733 nan 8.360 nan 0.000 0.408 345 I N 2.488 122.971 120.570 -0.144 0.000 2.478 345 I HA 0.275 4.450 4.170 0.007 0.000 0.287 345 I C 0.846 176.771 176.117 -0.320 0.000 1.042 345 I CA -0.704 60.383 61.300 -0.355 0.000 1.067 345 I CB 2.050 39.754 38.000 -0.493 0.000 1.233 345 I HN 0.788 nan 8.210 nan 0.000 0.431 346 G N 4.134 112.791 108.800 -0.237 0.000 2.321 346 G HA2 -0.147 3.817 3.960 0.007 0.000 0.287 346 G HA3 -0.147 3.817 3.960 0.007 0.000 0.287 346 G C 1.028 176.023 174.900 0.158 0.000 1.018 346 G CA 0.817 45.985 45.100 0.114 0.000 0.855 346 G HN 1.599 nan 8.290 nan 0.000 0.507 347 G N -2.037 106.786 108.800 0.039 0.000 2.195 347 G HA2 -0.235 3.729 3.960 0.007 0.000 0.246 347 G HA3 -0.235 3.729 3.960 0.007 0.000 0.246 347 G C 0.452 175.317 174.900 -0.059 0.000 0.984 347 G CA 0.426 45.543 45.100 0.029 0.000 0.633 347 G HN 1.277 nan 8.290 nan 0.000 0.525 348 L N 1.062 122.196 121.223 -0.148 0.000 2.326 348 L HA 0.508 4.852 4.340 0.007 0.000 0.278 348 L C 0.224 176.910 176.870 -0.307 0.000 1.092 348 L CA -0.390 54.254 54.840 -0.326 0.000 0.810 348 L CB 1.121 42.874 42.059 -0.511 0.000 1.153 348 L HN 0.192 nan 8.230 nan 0.000 0.439 349 E N 3.561 123.542 120.200 -0.365 0.000 2.092 349 E HA 0.295 4.649 4.350 0.007 0.000 0.271 349 E C -1.314 175.087 176.600 -0.330 0.000 0.919 349 E CA -0.338 55.924 56.400 -0.231 0.000 0.760 349 E CB 1.125 30.750 29.700 -0.124 0.000 1.106 349 E HN 0.292 nan 8.360 nan 0.000 0.408 350 F N 2.219 122.145 119.950 -0.039 0.000 2.384 350 F HA 0.069 4.601 4.527 0.009 0.000 0.359 350 F C 1.650 177.491 175.800 0.069 0.000 1.143 350 F CA -0.454 57.550 58.000 0.007 0.000 1.216 350 F CB 0.767 39.755 39.000 -0.021 0.000 1.512 350 F HN 0.430 nan 8.300 nan 0.000 0.573 351 S N 1.297 117.105 115.700 0.180 0.000 2.500 351 S HA 0.090 4.564 4.470 0.007 0.000 0.239 351 S C 0.811 175.541 174.600 0.217 0.000 0.989 351 S CA 0.432 58.733 58.200 0.168 0.000 0.951 351 S CB -0.080 63.193 63.200 0.123 0.000 0.759 351 S HN 0.483 nan 8.310 nan 0.000 0.523 352 A N 0.279 123.273 122.820 0.290 0.000 2.457 352 A HA 0.825 5.149 4.320 0.007 0.000 0.283 352 A C -0.209 177.628 177.584 0.421 0.000 1.166 352 A CA -0.162 52.066 52.037 0.318 0.000 0.740 352 A CB 1.047 20.210 19.000 0.272 0.000 1.181 352 A HN 1.099 nan 8.150 nan 0.000 0.446 353 A N 4.076 127.100 122.820 0.339 0.000 3.399 353 A HA 0.612 4.937 4.320 0.007 0.000 0.262 353 A C -3.021 174.720 177.584 0.260 0.000 1.145 353 A CA -0.859 51.346 52.037 0.281 0.000 0.916 353 A CB 0.288 19.437 19.000 0.249 0.000 1.360 353 A HN 0.515 nan 8.150 nan 0.000 0.628 354 P HA 0.307 nan 4.420 nan 0.000 0.262 354 P C -0.649 176.672 177.300 0.034 0.000 1.182 354 P CA 0.662 63.738 63.100 -0.040 0.000 0.761 354 P CB 0.071 31.704 31.700 -0.111 0.000 0.795 355 F N 0.219 120.125 119.950 -0.073 0.000 2.593 355 F HA 0.806 5.337 4.527 0.006 0.000 0.320 355 F C -0.472 175.259 175.800 -0.116 0.000 1.060 355 F CA -1.247 56.708 58.000 -0.074 0.000 0.940 355 F CB 1.713 40.539 39.000 -0.291 0.000 1.268 355 F HN 0.425 nan 8.300 nan 0.000 0.475 356 S N 0.154 115.945 115.700 0.151 0.000 2.547 356 S HA 0.916 5.390 4.470 0.007 0.000 0.270 356 S C -0.871 173.703 174.600 -0.043 0.000 1.150 356 S CA -0.157 58.064 58.200 0.035 0.000 0.850 356 S CB 1.365 64.648 63.200 0.138 0.000 1.118 356 S HN 1.570 nan 8.310 nan 0.000 0.461 357 G N 0.059 108.789 108.800 -0.117 0.000 3.265 357 G HA2 0.744 4.708 3.960 0.007 0.000 0.171 357 G HA3 0.744 4.708 3.960 0.007 0.000 0.171 357 G C -1.621 173.294 174.900 0.025 0.000 1.110 357 G CA -0.326 44.651 45.100 -0.205 0.000 0.855 357 G HN 1.181 nan 8.290 nan 0.000 0.658 358 W N -1.292 120.013 121.300 0.008 0.000 2.962 358 W HA 0.828 5.491 4.660 0.005 0.000 0.341 358 W C -1.498 175.030 176.519 0.015 0.000 1.155 358 W CA -2.048 55.316 57.345 0.031 0.000 1.165 358 W CB 0.510 30.031 29.460 0.101 0.000 1.435 358 W HN 0.401 nan 8.180 nan 0.000 0.546 359 Y N 2.573 123.066 120.300 0.322 0.000 2.379 359 Y HA 0.258 4.813 4.550 0.008 0.000 0.337 359 Y C 0.815 176.780 175.900 0.109 0.000 1.238 359 Y CA -0.819 57.356 58.100 0.125 0.000 1.405 359 Y CB 1.061 39.512 38.460 -0.014 0.000 1.310 359 Y HN 0.456 nan 8.280 nan 0.000 0.569 360 M N 1.911 121.671 119.600 0.266 0.000 2.268 360 M HA 0.221 4.705 4.480 0.007 0.000 0.344 360 M C 0.963 177.254 176.300 -0.016 0.000 1.106 360 M CA -0.370 55.004 55.300 0.123 0.000 1.010 360 M CB 1.284 33.935 32.600 0.086 0.000 1.649 360 M HN 0.834 nan 8.290 nan 0.000 0.443 361 S N 1.525 117.171 115.700 -0.091 0.000 2.400 361 S HA -0.221 4.254 4.470 0.007 0.000 0.234 361 S C 1.532 175.993 174.600 -0.232 0.000 1.049 361 S CA 2.357 60.428 58.200 -0.215 0.000 1.039 361 S CB -1.496 61.613 63.200 -0.152 0.000 0.856 361 S HN 0.935 nan 8.310 nan 0.000 0.465 362 T N 0.015 114.472 114.554 -0.162 0.000 2.929 362 T HA -0.026 4.328 4.350 0.007 0.000 0.271 362 T C 1.534 176.085 174.700 -0.249 0.000 1.085 362 T CA 1.231 63.195 62.100 -0.226 0.000 1.125 362 T CB -0.597 68.109 68.868 -0.270 0.000 0.874 362 T HN 0.624 nan 8.240 nan 0.000 0.494 363 E N 0.740 120.804 120.200 -0.227 0.000 2.110 363 E HA -0.017 4.337 4.350 0.007 0.000 0.193 363 E C 1.969 178.287 176.600 -0.471 0.000 0.988 363 E CA 1.275 57.536 56.400 -0.233 0.000 0.804 363 E CB -0.231 29.447 29.700 -0.038 0.000 0.745 363 E HN 0.607 nan 8.360 nan 0.000 0.458 364 I N 0.060 120.227 120.570 -0.673 0.000 2.368 364 I HA -0.037 4.138 4.170 0.007 0.000 0.238 364 I C 2.587 178.345 176.117 -0.599 0.000 1.076 364 I CA 0.846 61.584 61.300 -0.937 0.000 1.397 364 I CB -0.552 36.813 38.000 -1.058 0.000 1.141 364 I HN 0.090 nan 8.210 nan 0.000 0.430 365 G N 0.144 108.701 108.800 -0.405 0.000 2.432 365 G HA2 -0.173 3.791 3.960 0.007 0.000 0.219 365 G HA3 -0.173 3.791 3.960 0.007 0.000 0.219 365 G C 1.577 176.368 174.900 -0.182 0.000 1.135 365 G CA 1.578 46.537 45.100 -0.234 0.000 0.767 365 G HN 0.311 nan 8.290 nan 0.000 0.550 366 T N -0.094 114.329 114.554 -0.219 0.000 2.990 366 T HA 0.104 4.458 4.350 0.007 0.000 0.237 366 T C 2.513 177.108 174.700 -0.175 0.000 1.009 366 T CA 0.246 62.239 62.100 -0.179 0.000 1.195 366 T CB 0.056 68.801 68.868 -0.204 0.000 0.885 366 T HN 0.004 nan 8.240 nan 0.000 0.424 367 R N 2.077 122.451 120.500 -0.210 0.000 2.070 367 R HA 0.115 4.459 4.340 0.007 0.000 0.227 367 R C 2.239 178.422 176.300 -0.196 0.000 1.147 367 R CA 1.171 57.156 56.100 -0.192 0.000 0.924 367 R CB -1.338 28.850 30.300 -0.186 0.000 0.827 367 R HN 0.322 nan 8.270 nan 0.000 0.431 368 N N 1.079 119.610 118.700 -0.283 0.000 2.043 368 N HA -0.130 4.614 4.740 0.007 0.000 0.193 368 N C 2.013 177.454 175.510 -0.113 0.000 1.037 368 N CA 1.261 54.140 53.050 -0.285 0.000 0.851 368 N CB -0.391 37.596 38.487 -0.832 0.000 1.027 368 N HN 0.191 nan 8.380 nan 0.000 0.422 369 L N -0.558 120.543 121.223 -0.204 0.000 2.209 369 L HA 0.020 4.365 4.340 0.007 0.000 0.207 369 L C 1.619 178.530 176.870 0.068 0.000 1.094 369 L CA 0.554 55.385 54.840 -0.015 0.000 0.790 369 L CB 0.035 42.053 42.059 -0.068 0.000 0.932 369 L HN 0.194 nan 8.230 nan 0.000 0.447 370 C N -1.631 117.664 119.300 -0.007 0.000 2.912 370 C HA 0.158 4.622 4.460 0.007 0.000 0.274 370 C C 0.757 175.747 174.990 0.000 0.000 1.248 370 C CA -0.973 58.054 59.018 0.015 0.000 1.694 370 C CB -0.431 27.304 27.740 -0.009 0.000 2.024 370 C HN 0.300 nan 8.230 nan 0.000 0.605 371 D N 2.895 123.267 120.400 -0.046 0.000 2.488 371 D HA 0.036 4.680 4.640 0.007 0.000 0.238 371 D C -1.018 175.294 176.300 0.019 0.000 1.138 371 D CA -1.265 52.699 54.000 -0.060 0.000 0.873 371 D CB 0.686 41.316 40.800 -0.285 0.000 1.183 371 D HN 0.196 nan 8.370 nan 0.000 0.458 372 P HA -0.168 nan 4.420 nan 0.000 0.218 372 P C 0.678 178.087 177.300 0.183 0.000 1.148 372 P CA 1.366 64.559 63.100 0.156 0.000 0.822 372 P CB -0.007 31.782 31.700 0.148 0.000 0.784 373 H N -2.312 116.761 119.070 0.006 0.000 2.517 373 H HA 0.351 4.911 4.556 0.007 0.000 0.282 373 H C 1.074 176.401 175.328 -0.002 0.000 1.023 373 H CA -0.265 55.783 56.048 0.001 0.000 1.169 373 H CB -0.147 29.616 29.762 0.002 0.000 1.454 373 H HN -0.007 nan 8.280 nan 0.000 0.556 374 R N -0.206 120.209 120.500 -0.143 0.000 2.769 374 R HA 0.185 4.529 4.340 0.007 0.000 0.117 374 R C 1.214 177.451 176.300 -0.104 0.000 1.152 374 R CA -0.645 55.381 56.100 -0.123 0.000 0.887 374 R CB -0.870 29.376 30.300 -0.091 0.000 1.099 374 R HN 0.097 nan 8.270 nan 0.000 0.398 375 Y N 1.669 121.987 120.300 0.031 0.000 2.352 375 Y HA -0.030 4.525 4.550 0.007 0.000 0.292 375 Y C 0.748 176.678 175.900 0.051 0.000 1.136 375 Y CA 1.338 59.476 58.100 0.062 0.000 1.227 375 Y CB -0.219 38.319 38.460 0.130 0.000 0.991 375 Y HN 0.536 nan 8.280 nan 0.000 0.545 376 N N 0.901 119.688 118.700 0.145 0.000 2.688 376 N HA -0.222 4.522 4.740 0.007 0.000 0.258 376 N C 0.410 176.004 175.510 0.140 0.000 1.016 376 N CA 0.367 53.485 53.050 0.114 0.000 0.747 376 N CB -1.014 37.521 38.487 0.080 0.000 0.895 376 N HN 0.616 nan 8.380 nan 0.000 0.543 377 I N -2.943 117.725 120.570 0.164 0.000 3.883 377 I HA 0.045 4.220 4.170 0.007 0.000 0.326 377 I C 1.736 177.952 176.117 0.166 0.000 1.283 377 I CA -0.450 60.947 61.300 0.160 0.000 1.161 377 I CB 0.030 38.134 38.000 0.173 0.000 1.012 377 I HN 0.114 nan 8.210 nan 0.000 0.421 378 L N 1.876 123.206 121.223 0.178 0.000 2.013 378 L HA -0.234 4.110 4.340 0.007 0.000 0.212 378 L C 2.602 179.680 176.870 0.347 0.000 1.073 378 L CA 2.223 57.202 54.840 0.231 0.000 0.753 378 L CB -0.864 41.299 42.059 0.172 0.000 0.890 378 L HN 0.531 nan 8.230 nan 0.000 0.432 379 E N -1.103 119.301 120.200 0.340 0.000 2.077 379 E HA -0.237 4.118 4.350 0.007 0.000 0.193 379 E C 1.702 178.341 176.600 0.064 0.000 0.989 379 E CA 1.368 57.894 56.400 0.209 0.000 0.800 379 E CB 0.010 29.774 29.700 0.106 0.000 0.746 379 E HN 0.514 nan 8.360 nan 0.000 0.452 380 D N 0.140 120.583 120.400 0.071 0.000 2.104 380 D HA -0.152 4.493 4.640 0.007 0.000 0.194 380 D C 2.090 178.393 176.300 0.006 0.000 0.994 380 D CA 1.233 55.243 54.000 0.016 0.000 0.830 380 D CB -0.253 40.567 40.800 0.033 0.000 0.959 380 D HN 0.132 nan 8.370 nan 0.000 0.452 381 V N 1.445 121.418 119.914 0.098 0.000 2.427 381 V HA -0.196 3.929 4.120 0.007 0.000 0.248 381 V C 2.511 178.693 176.094 0.147 0.000 1.051 381 V CA 1.607 64.013 62.300 0.176 0.000 1.048 381 V CB -0.748 31.261 31.823 0.309 0.000 0.666 381 V HN 0.167 nan 8.190 nan 0.000 0.456 382 A N -0.025 122.890 122.820 0.159 0.000 1.877 382 A HA -0.159 4.166 4.320 0.007 0.000 0.216 382 A C 2.410 179.970 177.584 -0.041 0.000 1.186 382 A CA 2.048 54.170 52.037 0.142 0.000 0.620 382 A CB -0.744 18.413 19.000 0.262 0.000 0.822 382 A HN 0.315 nan 8.150 nan 0.000 0.443 383 V N -0.602 119.239 119.914 -0.123 0.000 2.332 383 V HA -0.359 3.765 4.120 0.007 0.000 0.248 383 V C 2.653 178.592 176.094 -0.258 0.000 1.055 383 V CA 2.176 64.363 62.300 -0.189 0.000 1.038 383 V CB -1.101 30.614 31.823 -0.180 0.000 0.651 383 V HN 0.721 nan 8.190 nan 0.000 0.450 384 C N -0.552 118.525 119.300 -0.371 0.000 2.422 384 C HA -0.114 4.350 4.460 0.007 0.000 0.279 384 C C 2.591 177.156 174.990 -0.709 0.000 1.305 384 C CA 0.920 59.471 59.018 -0.778 0.000 1.757 384 C CB -1.025 25.881 27.740 -1.390 0.000 1.962 384 C HN 0.537 nan 8.230 nan 0.000 0.499 385 M N 0.045 119.482 119.600 -0.271 0.000 2.618 385 M HA 0.049 4.533 4.480 0.007 0.000 0.240 385 M C 0.421 176.705 176.300 -0.028 0.000 1.123 385 M CA 0.808 56.113 55.300 0.008 0.000 1.060 385 M CB -0.425 32.289 32.600 0.190 0.000 1.535 385 M HN 0.261 nan 8.290 nan 0.000 0.507 386 D N 1.573 121.907 120.400 -0.110 0.000 2.718 386 D HA -0.146 4.498 4.640 0.007 0.000 0.242 386 D C -1.140 175.133 176.300 -0.045 0.000 1.123 386 D CA 0.447 54.393 54.000 -0.089 0.000 0.690 386 D CB -0.860 39.897 40.800 -0.073 0.000 1.059 386 D HN 0.310 nan 8.370 nan 0.000 0.429 387 L N 0.028 121.225 121.223 -0.043 0.000 2.352 387 L HA 0.414 4.758 4.340 0.007 0.000 0.269 387 L C 0.888 177.701 176.870 -0.094 0.000 1.034 387 L CA -1.018 53.821 54.840 -0.002 0.000 0.806 387 L CB 1.039 43.165 42.059 0.111 0.000 1.244 387 L HN 0.004 nan 8.230 nan 0.000 0.447 388 D N 1.021 121.390 120.400 -0.052 0.000 2.441 388 D HA -0.016 4.628 4.640 0.007 0.000 0.243 388 D C 1.166 177.278 176.300 -0.313 0.000 1.257 388 D CA -0.033 53.899 54.000 -0.113 0.000 1.027 388 D CB 0.664 41.456 40.800 -0.012 0.000 1.084 388 D HN 0.629 nan 8.370 nan 0.000 0.514 389 T N 0.585 114.770 114.554 -0.616 0.000 3.160 389 T HA -0.019 4.335 4.350 0.007 0.000 0.257 389 T C 1.411 175.717 174.700 -0.657 0.000 1.147 389 T CA 0.261 61.575 62.100 -1.310 0.000 1.064 389 T CB 0.071 68.199 68.868 -1.234 0.000 0.949 389 T HN 0.163 nan 8.240 nan 0.000 0.526 390 R N 0.581 120.910 120.500 -0.285 0.000 2.280 390 R HA 0.298 4.642 4.340 0.007 0.000 0.195 390 R C 0.837 177.152 176.300 0.026 0.000 0.935 390 R CA 0.241 56.281 56.100 -0.100 0.000 1.033 390 R CB 0.180 30.432 30.300 -0.081 0.000 0.964 390 R HN 0.338 nan 8.270 nan 0.000 0.489 391 T N -0.686 113.923 114.554 0.092 0.000 2.879 391 T HA 0.146 4.500 4.350 0.007 0.000 0.290 391 T C 1.122 175.999 174.700 0.296 0.000 0.993 391 T CA -0.482 61.714 62.100 0.160 0.000 0.975 391 T CB 1.391 70.316 68.868 0.096 0.000 0.981 391 T HN 0.279 nan 8.240 nan 0.000 0.439 392 T N 1.510 116.202 114.554 0.230 0.000 2.759 392 T HA -0.145 4.210 4.350 0.007 0.000 0.269 392 T C 2.113 176.871 174.700 0.096 0.000 1.042 392 T CA 1.813 64.006 62.100 0.156 0.000 1.140 392 T CB -0.735 68.174 68.868 0.069 0.000 0.864 392 T HN 0.709 nan 8.240 nan 0.000 0.455 393 S N 1.871 117.626 115.700 0.091 0.000 2.595 393 S HA -0.030 4.444 4.470 0.007 0.000 0.235 393 S C 2.005 176.654 174.600 0.081 0.000 0.974 393 S CA 0.749 58.987 58.200 0.064 0.000 0.942 393 S CB -0.901 62.329 63.200 0.050 0.000 0.766 393 S HN 0.791 nan 8.310 nan 0.000 0.536 394 S N 1.322 117.107 115.700 0.141 0.000 2.528 394 S HA 0.272 4.746 4.470 0.007 0.000 0.219 394 S C 0.928 175.613 174.600 0.141 0.000 0.985 394 S CA 0.087 58.380 58.200 0.155 0.000 0.914 394 S CB -0.900 62.432 63.200 0.219 0.000 0.776 394 S HN 0.629 nan 8.310 nan 0.000 0.526 395 L N 1.208 122.480 121.223 0.082 0.000 3.717 395 L HA -0.175 4.170 4.340 0.007 0.000 0.414 395 L C 1.633 178.505 176.870 0.005 0.000 1.228 395 L CA 0.649 55.474 54.840 -0.024 0.000 0.918 395 L CB -2.436 39.619 42.059 -0.007 0.000 1.865 395 L HN 0.725 nan 8.230 nan 0.000 0.922 396 W N -0.006 121.306 121.300 0.020 0.000 2.363 396 W HA -0.151 4.513 4.660 0.007 0.000 0.296 396 W C 1.751 178.288 176.519 0.031 0.000 1.212 396 W CA 1.372 58.733 57.345 0.025 0.000 1.260 396 W CB -0.739 28.732 29.460 0.019 0.000 1.131 396 W HN 0.277 nan 8.180 nan 0.000 0.530 397 K N 1.066 121.030 120.400 -0.728 0.000 2.026 397 K HA -0.176 4.148 4.320 0.007 0.000 0.208 397 K C 1.549 178.013 176.600 -0.227 0.000 1.048 397 K CA 2.436 58.345 56.287 -0.630 0.000 0.929 397 K CB -0.392 31.592 32.500 -0.861 0.000 0.713 397 K HN 0.054 nan 8.250 nan 0.000 0.439 398 D N 0.590 120.877 120.400 -0.190 0.000 2.097 398 D HA -0.132 4.512 4.640 0.007 0.000 0.195 398 D C 1.735 178.026 176.300 -0.014 0.000 0.989 398 D CA 1.266 55.213 54.000 -0.089 0.000 0.827 398 D CB 0.027 40.783 40.800 -0.073 0.000 0.966 398 D HN 0.133 nan 8.370 nan 0.000 0.456 399 K N 0.505 120.922 120.400 0.030 0.000 2.026 399 K HA -0.024 4.300 4.320 0.007 0.000 0.208 399 K C 2.239 178.906 176.600 0.112 0.000 1.048 399 K CA 1.132 57.467 56.287 0.080 0.000 0.929 399 K CB -0.188 32.380 32.500 0.114 0.000 0.713 399 K HN 0.088 nan 8.250 nan 0.000 0.439 400 A N 1.698 124.605 122.820 0.145 0.000 1.877 400 A HA -0.129 4.195 4.320 0.007 0.000 0.216 400 A C 2.416 180.088 177.584 0.146 0.000 1.186 400 A CA 1.894 54.046 52.037 0.192 0.000 0.620 400 A CB -0.756 18.395 19.000 0.251 0.000 0.822 400 A HN 0.339 nan 8.150 nan 0.000 0.443 401 A N -0.549 122.314 122.820 0.072 0.000 1.908 401 A HA -0.039 4.286 4.320 0.007 0.000 0.218 401 A C 2.235 179.835 177.584 0.027 0.000 1.181 401 A CA 1.886 53.940 52.037 0.028 0.000 0.627 401 A CB -0.979 17.998 19.000 -0.037 0.000 0.818 401 A HN 0.411 nan 8.150 nan 0.000 0.445 402 V N 0.383 120.319 119.914 0.037 0.000 2.295 402 V HA -0.219 3.906 4.120 0.007 0.000 0.246 402 V C 2.520 178.651 176.094 0.062 0.000 1.049 402 V CA 2.156 64.483 62.300 0.044 0.000 1.024 402 V CB -0.701 31.155 31.823 0.055 0.000 0.648 402 V HN 0.540 nan 8.190 nan 0.000 0.447 403 E N -0.180 120.084 120.200 0.106 0.000 2.150 403 E HA -0.092 4.262 4.350 0.007 0.000 0.193 403 E C 2.127 178.768 176.600 0.069 0.000 0.985 403 E CA 1.048 57.540 56.400 0.153 0.000 0.814 403 E CB -0.218 29.569 29.700 0.144 0.000 0.752 403 E HN 0.586 nan 8.360 nan 0.000 0.466 404 I N 1.533 122.164 120.570 0.102 0.000 2.252 404 I HA -0.229 3.945 4.170 0.007 0.000 0.245 404 I C 2.144 178.236 176.117 -0.041 0.000 1.102 404 I CA 0.775 62.132 61.300 0.094 0.000 1.385 404 I CB -0.277 37.839 38.000 0.193 0.000 1.064 404 I HN 0.065 nan 8.210 nan 0.000 0.414 405 N N 0.751 119.427 118.700 -0.040 0.000 2.188 405 N HA -0.168 4.576 4.740 0.007 0.000 0.184 405 N C 1.933 177.390 175.510 -0.088 0.000 1.018 405 N CA 1.139 54.144 53.050 -0.075 0.000 0.858 405 N CB -0.130 38.325 38.487 -0.053 0.000 0.989 405 N HN 0.196 nan 8.380 nan 0.000 0.426 406 L N 1.604 122.772 121.223 -0.092 0.000 2.083 406 L HA -0.060 4.285 4.340 0.007 0.000 0.209 406 L C 2.249 178.973 176.870 -0.244 0.000 1.083 406 L CA 1.400 56.148 54.840 -0.154 0.000 0.752 406 L CB -0.725 41.222 42.059 -0.186 0.000 0.899 406 L HN 0.048 nan 8.230 nan 0.000 0.433 407 A N -1.195 121.424 122.820 -0.335 0.000 1.902 407 A HA -0.142 4.182 4.320 0.007 0.000 0.217 407 A C 2.254 179.756 177.584 -0.137 0.000 1.181 407 A CA 1.943 53.738 52.037 -0.403 0.000 0.623 407 A CB -1.080 17.375 19.000 -0.908 0.000 0.818 407 A HN 0.298 nan 8.150 nan 0.000 0.443 408 V N 0.062 119.914 119.914 -0.104 0.000 2.343 408 V HA -0.259 3.865 4.120 0.007 0.000 0.247 408 V C 2.563 178.655 176.094 -0.004 0.000 1.051 408 V CA 1.932 64.214 62.300 -0.030 0.000 1.036 408 V CB -0.752 30.967 31.823 -0.174 0.000 0.654 408 V HN 0.561 nan 8.190 nan 0.000 0.451 409 L N -0.531 120.656 121.223 -0.060 0.000 2.017 409 L HA -0.215 4.130 4.340 0.007 0.000 0.208 409 L C 2.640 179.534 176.870 0.040 0.000 1.073 409 L CA 2.218 57.040 54.840 -0.030 0.000 0.745 409 L CB -0.770 41.263 42.059 -0.042 0.000 0.894 409 L HN 0.480 nan 8.230 nan 0.000 0.432 410 H N -0.467 118.552 119.070 -0.084 0.000 2.353 410 H HA -0.137 4.424 4.556 0.008 0.000 0.300 410 H C 2.316 177.628 175.328 -0.027 0.000 1.090 410 H CA 1.947 57.941 56.048 -0.091 0.000 1.327 410 H CB 0.063 29.705 29.762 -0.200 0.000 1.383 410 H HN 0.141 nan 8.280 nan 0.000 0.508 411 S N -0.435 115.220 115.700 -0.075 0.000 2.383 411 S HA -0.091 4.384 4.470 0.007 0.000 0.227 411 S C 1.791 176.366 174.600 -0.040 0.000 1.026 411 S CA 1.127 59.274 58.200 -0.087 0.000 0.981 411 S CB -0.360 62.883 63.200 0.071 0.000 0.818 411 S HN 0.332 nan 8.310 nan 0.000 0.472 412 F N 2.016 121.902 119.950 -0.107 0.000 2.206 412 F HA -0.023 4.508 4.527 0.007 0.000 0.298 412 F C 2.586 178.330 175.800 -0.093 0.000 1.090 412 F CA 0.844 58.805 58.000 -0.065 0.000 1.323 412 F CB -0.561 38.426 39.000 -0.021 0.000 1.028 412 F HN 0.208 nan 8.300 nan 0.000 0.492 413 Q N -0.616 119.214 119.800 0.049 0.000 2.119 413 Q HA -0.175 4.169 4.340 0.007 0.000 0.201 413 Q C 2.182 178.122 176.000 -0.100 0.000 0.972 413 Q CA 1.163 56.949 55.803 -0.030 0.000 0.847 413 Q CB -0.399 28.316 28.738 -0.039 0.000 0.903 413 Q HN 0.329 nan 8.270 nan 0.000 0.433 414 L N 0.421 121.529 121.223 -0.193 0.000 2.056 414 L HA -0.061 4.284 4.340 0.007 0.000 0.207 414 L C 1.985 178.768 176.870 -0.144 0.000 1.078 414 L CA 1.750 56.464 54.840 -0.210 0.000 0.749 414 L CB -0.474 41.374 42.059 -0.352 0.000 0.901 414 L HN 0.116 nan 8.230 nan 0.000 0.433 415 A N -1.378 121.351 122.820 -0.152 0.000 2.235 415 A HA -0.008 4.316 4.320 0.007 0.000 0.208 415 A C 0.822 178.337 177.584 -0.114 0.000 1.172 415 A CA 0.225 52.176 52.037 -0.143 0.000 0.786 415 A CB -0.357 18.519 19.000 -0.207 0.000 0.804 415 A HN 0.432 nan 8.150 nan 0.000 0.479 416 K N -1.308 119.038 120.400 -0.090 0.000 3.129 416 K HA -0.132 4.192 4.320 0.007 0.000 0.273 416 K C -0.478 176.089 176.600 -0.056 0.000 1.123 416 K CA 0.863 57.110 56.287 -0.065 0.000 0.800 416 K CB -2.783 29.680 32.500 -0.062 0.000 1.238 416 K HN 0.320 nan 8.250 nan 0.000 0.492 417 V N 1.327 121.213 119.914 -0.047 0.000 2.472 417 V HA 0.180 4.305 4.120 0.007 0.000 0.290 417 V C 0.982 177.155 176.094 0.130 0.000 1.037 417 V CA -0.602 61.700 62.300 0.002 0.000 0.908 417 V CB 1.879 33.623 31.823 -0.132 0.000 0.985 417 V HN 0.218 nan 8.190 nan 0.000 0.454 418 T N 6.257 120.855 114.554 0.075 0.000 2.928 418 T HA 0.474 4.829 4.350 0.007 0.000 0.305 418 T C -0.242 174.531 174.700 0.121 0.000 1.035 418 T CA 0.664 62.740 62.100 -0.041 0.000 1.145 418 T CB 0.143 68.835 68.868 -0.292 0.000 0.963 418 T HN 0.579 nan 8.240 nan 0.000 0.545 419 I N 2.132 122.705 120.570 0.005 0.000 2.882 419 I HA 0.558 4.732 4.170 0.007 0.000 0.298 419 I C -1.710 174.431 176.117 0.041 0.000 1.462 419 I CA -0.935 60.407 61.300 0.071 0.000 1.000 419 I CB 1.917 39.880 38.000 -0.062 0.000 1.340 419 I HN 0.441 nan 8.210 nan 0.000 0.462 420 V N 5.389 125.386 119.914 0.139 0.000 2.577 420 V HA 0.437 4.561 4.120 0.007 0.000 0.303 420 V C -0.967 175.169 176.094 0.070 0.000 1.042 420 V CA -0.291 62.088 62.300 0.132 0.000 0.872 420 V CB 2.116 34.108 31.823 0.283 0.000 0.998 420 V HN 0.876 nan 8.190 nan 0.000 0.423 421 D N 4.254 124.664 120.400 0.016 0.000 2.371 421 D HA 0.116 4.760 4.640 0.007 0.000 0.242 421 D C 1.315 177.580 176.300 -0.057 0.000 1.218 421 D CA 0.368 54.345 54.000 -0.038 0.000 0.945 421 D CB 0.370 41.108 40.800 -0.102 0.000 1.137 421 D HN 0.732 nan 8.370 nan 0.000 0.464 422 H N -0.845 118.124 119.070 -0.169 0.000 2.495 422 H HA -0.100 4.460 4.556 0.007 0.000 0.287 422 H C 0.984 176.191 175.328 -0.203 0.000 1.033 422 H CA 1.142 57.062 56.048 -0.214 0.000 1.307 422 H CB -0.459 29.126 29.762 -0.294 0.000 1.401 422 H HN 0.486 nan 8.280 nan 0.000 0.555 423 H N 1.244 120.130 119.070 -0.307 0.000 2.333 423 H HA 0.171 4.731 4.556 0.007 0.000 0.302 423 H C 2.523 177.833 175.328 -0.030 0.000 1.075 423 H CA 1.350 57.310 56.048 -0.147 0.000 1.348 423 H CB -0.321 29.320 29.762 -0.202 0.000 1.393 423 H HN 0.507 nan 8.280 nan 0.000 0.509 424 A N 1.332 124.202 122.820 0.084 0.000 1.898 424 A HA -0.050 4.275 4.320 0.007 0.000 0.216 424 A C 2.675 180.330 177.584 0.117 0.000 1.181 424 A CA 1.647 53.740 52.037 0.093 0.000 0.620 424 A CB -0.778 18.267 19.000 0.074 0.000 0.819 424 A HN 0.420 nan 8.150 nan 0.000 0.442 425 A N -0.136 122.749 122.820 0.108 0.000 1.902 425 A HA -0.123 4.202 4.320 0.007 0.000 0.217 425 A C 2.453 180.132 177.584 0.157 0.000 1.181 425 A CA 2.620 54.739 52.037 0.136 0.000 0.623 425 A CB -1.369 17.695 19.000 0.106 0.000 0.818 425 A HN 0.735 nan 8.150 nan 0.000 0.443 426 T N -2.862 111.772 114.554 0.133 0.000 2.857 426 T HA -0.055 4.300 4.350 0.007 0.000 0.266 426 T C 1.703 176.536 174.700 0.221 0.000 1.048 426 T CA 1.264 63.467 62.100 0.171 0.000 1.139 426 T CB -0.736 68.205 68.868 0.122 0.000 0.874 426 T HN 0.046 nan 8.240 nan 0.000 0.455 427 V N 2.868 122.887 119.914 0.176 0.000 2.332 427 V HA -0.182 3.943 4.120 0.007 0.000 0.248 427 V C 3.218 179.409 176.094 0.160 0.000 1.055 427 V CA 2.200 64.593 62.300 0.156 0.000 1.038 427 V CB -0.967 30.929 31.823 0.122 0.000 0.651 427 V HN 0.802 nan 8.190 nan 0.000 0.450 428 S N -0.510 115.295 115.700 0.174 0.000 2.428 428 S HA -0.181 4.293 4.470 0.007 0.000 0.230 428 S C 1.916 176.647 174.600 0.219 0.000 1.014 428 S CA 1.325 59.628 58.200 0.173 0.000 0.957 428 S CB -0.649 62.655 63.200 0.173 0.000 0.784 428 S HN 0.537 nan 8.310 nan 0.000 0.499 429 F N 1.677 121.696 119.950 0.115 0.000 2.325 429 F HA 0.219 4.750 4.527 0.007 0.000 0.299 429 F C 2.089 177.981 175.800 0.153 0.000 1.090 429 F CA 0.828 58.913 58.000 0.142 0.000 1.392 429 F CB -0.222 38.840 39.000 0.102 0.000 1.053 429 F HN 0.127 nan 8.300 nan 0.000 0.521 430 M N 0.021 119.710 119.600 0.149 0.000 2.156 430 M HA -0.120 4.364 4.480 0.007 0.000 0.264 430 M C 2.193 178.477 176.300 -0.027 0.000 1.067 430 M CA 1.340 56.671 55.300 0.052 0.000 1.131 430 M CB -1.092 31.579 32.600 0.119 0.000 1.368 430 M HN 0.034 nan 8.290 nan 0.000 0.416 431 K N -0.361 120.053 120.400 0.024 0.000 2.097 431 K HA -0.192 4.133 4.320 0.007 0.000 0.205 431 K C 1.961 178.547 176.600 -0.023 0.000 1.050 431 K CA 1.626 57.921 56.287 0.013 0.000 0.938 431 K CB -0.575 31.956 32.500 0.052 0.000 0.718 431 K HN 0.381 nan 8.250 nan 0.000 0.442 432 H N -0.056 118.932 119.070 -0.136 0.000 2.357 432 H HA 0.028 4.588 4.556 0.007 0.000 0.301 432 H C 1.691 176.852 175.328 -0.278 0.000 1.082 432 H CA 2.033 57.967 56.048 -0.190 0.000 1.342 432 H CB -0.143 29.476 29.762 -0.239 0.000 1.389 432 H HN 0.155 nan 8.280 nan 0.000 0.511 433 L N -0.105 120.803 121.223 -0.525 0.000 2.046 433 L HA -0.164 4.181 4.340 0.007 0.000 0.208 433 L C 2.319 179.018 176.870 -0.285 0.000 1.077 433 L CA 1.717 56.276 54.840 -0.468 0.000 0.747 433 L CB -0.465 41.391 42.059 -0.338 0.000 0.896 433 L HN 0.389 nan 8.230 nan 0.000 0.432 434 D N 0.097 120.383 120.400 -0.189 0.000 2.097 434 D HA -0.190 4.455 4.640 0.007 0.000 0.195 434 D C 1.861 178.087 176.300 -0.123 0.000 0.989 434 D CA 1.339 55.270 54.000 -0.115 0.000 0.827 434 D CB -0.009 40.752 40.800 -0.065 0.000 0.966 434 D HN 0.145 nan 8.370 nan 0.000 0.456 435 N N 0.600 119.216 118.700 -0.139 0.000 2.069 435 N HA -0.128 4.616 4.740 0.007 0.000 0.191 435 N C 1.605 177.029 175.510 -0.143 0.000 1.031 435 N CA 0.908 53.896 53.050 -0.104 0.000 0.852 435 N CB -0.337 38.116 38.487 -0.056 0.000 1.018 435 N HN 0.338 nan 8.380 nan 0.000 0.423 436 E N 0.514 120.546 120.200 -0.280 0.000 2.274 436 E HA -0.135 4.219 4.350 0.007 0.000 0.194 436 E C 1.774 178.269 176.600 -0.175 0.000 0.996 436 E CA 0.416 56.652 56.400 -0.273 0.000 0.840 436 E CB 0.010 29.435 29.700 -0.459 0.000 0.772 436 E HN 0.350 nan 8.360 nan 0.000 0.491 437 Q N 1.511 121.220 119.800 -0.152 0.000 2.046 437 Q HA -0.104 4.240 4.340 0.007 0.000 0.200 437 Q C 1.747 177.700 176.000 -0.077 0.000 0.975 437 Q CA 1.691 57.435 55.803 -0.099 0.000 0.836 437 Q CB 0.050 28.740 28.738 -0.079 0.000 0.896 437 Q HN 0.106 nan 8.270 nan 0.000 0.428 438 K N -0.559 119.799 120.400 -0.070 0.000 2.057 438 K HA 0.010 4.334 4.320 0.007 0.000 0.206 438 K C 2.029 178.599 176.600 -0.049 0.000 1.050 438 K CA 1.112 57.368 56.287 -0.051 0.000 0.935 438 K CB -0.225 32.252 32.500 -0.039 0.000 0.715 438 K HN 0.241 nan 8.250 nan 0.000 0.439 439 A N 1.200 123.988 122.820 -0.053 0.000 1.929 439 A HA -0.074 4.251 4.320 0.007 0.000 0.216 439 A C 1.770 179.324 177.584 -0.051 0.000 1.176 439 A CA 1.219 53.233 52.037 -0.038 0.000 0.628 439 A CB -0.022 18.967 19.000 -0.017 0.000 0.816 439 A HN 0.172 nan 8.150 nan 0.000 0.444 440 R N -2.742 117.713 120.500 -0.075 0.000 2.541 440 R HA 0.258 4.602 4.340 0.007 0.000 0.332 440 R C 0.767 177.017 176.300 -0.083 0.000 0.951 440 R CA 0.494 56.550 56.100 -0.075 0.000 1.136 440 R CB 0.654 30.904 30.300 -0.082 0.000 1.449 440 R HN 0.698 nan 8.270 nan 0.000 0.531 441 G N 1.116 109.864 108.800 -0.088 0.000 2.182 441 G HA2 -0.153 3.811 3.960 0.007 0.000 0.248 441 G HA3 -0.153 3.811 3.960 0.007 0.000 0.248 441 G C 0.207 175.060 174.900 -0.078 0.000 1.042 441 G CA 0.139 45.180 45.100 -0.098 0.000 0.775 441 G HN 0.731 nan 8.290 nan 0.000 0.501 442 G N -2.436 106.330 108.800 -0.056 0.000 2.356 442 G HA2 0.537 4.501 3.960 0.007 0.000 0.300 442 G HA3 0.537 4.501 3.960 0.007 0.000 0.300 442 G C -0.705 174.192 174.900 -0.005 0.000 1.331 442 G CA 0.440 45.539 45.100 -0.002 0.000 0.905 442 G HN 2.058 nan 8.290 nan 0.000 0.587 443 C N 1.935 121.267 119.300 0.052 0.000 2.833 443 C HA 0.686 5.150 4.460 0.007 0.000 0.383 443 C C -2.575 172.411 174.990 -0.008 0.000 1.058 443 C CA -1.098 57.910 59.018 -0.016 0.000 1.259 443 C CB 1.276 28.936 27.740 -0.133 0.000 1.726 443 C HN 0.731 nan 8.230 nan 0.000 0.484 444 P HA 0.376 nan 4.420 nan 0.000 0.266 444 P C -0.582 176.610 177.300 -0.179 0.000 1.215 444 P CA 0.666 63.408 63.100 -0.597 0.000 0.763 444 P CB 0.904 31.984 31.700 -1.033 0.000 0.806 445 A N 3.006 125.795 122.820 -0.052 0.000 2.455 445 A HA 0.390 4.714 4.320 0.007 0.000 0.300 445 A C -0.825 176.811 177.584 0.087 0.000 1.040 445 A CA -0.589 51.504 52.037 0.092 0.000 0.697 445 A CB 1.259 20.430 19.000 0.286 0.000 1.265 445 A HN 0.443 nan 8.150 nan 0.000 0.407 446 D N 2.235 122.669 120.400 0.058 0.000 2.456 446 D HA 0.097 4.742 4.640 0.007 0.000 0.219 446 D C 0.812 177.243 176.300 0.218 0.000 1.126 446 D CA -0.436 53.633 54.000 0.115 0.000 0.890 446 D CB 0.354 41.147 40.800 -0.012 0.000 1.025 446 D HN 0.634 nan 8.370 nan 0.000 0.511 447 W N 4.259 125.609 121.300 0.084 0.000 2.304 447 W HA -0.340 4.325 4.660 0.008 0.000 0.315 447 W C 2.004 178.575 176.519 0.088 0.000 1.233 447 W CA 2.485 59.870 57.345 0.066 0.000 1.261 447 W CB 0.003 29.480 29.460 0.028 0.000 1.150 447 W HN 0.563 nan 8.180 nan 0.000 0.494 448 A N -1.053 122.042 122.820 0.459 0.000 1.940 448 A HA -0.223 4.101 4.320 0.007 0.000 0.219 448 A C 1.518 179.161 177.584 0.097 0.000 1.176 448 A CA 1.799 54.021 52.037 0.309 0.000 0.631 448 A CB -1.390 17.828 19.000 0.363 0.000 0.814 448 A HN 0.536 nan 8.150 nan 0.000 0.446 449 W N -0.859 120.410 121.300 -0.051 0.000 2.737 449 W HA 0.190 4.854 4.660 0.007 0.000 0.262 449 W C 1.822 178.226 176.519 -0.191 0.000 1.282 449 W CA -0.128 57.162 57.345 -0.091 0.000 1.386 449 W CB -0.118 29.316 29.460 -0.043 0.000 1.099 449 W HN 0.149 nan 8.180 nan 0.000 0.621 450 I N -0.255 120.276 120.570 -0.065 0.000 2.406 450 I HA -0.053 4.121 4.170 0.007 0.000 0.249 450 I C 0.677 176.595 176.117 -0.333 0.000 1.122 450 I CA 0.712 61.838 61.300 -0.290 0.000 1.431 450 I CB -1.421 36.328 38.000 -0.418 0.000 1.087 450 I HN -0.399 nan 8.210 nan 0.000 0.424 451 V N 3.816 123.456 119.914 -0.457 0.000 2.508 451 V HA 0.105 4.230 4.120 0.007 0.000 0.281 451 V C -1.970 173.954 176.094 -0.284 0.000 1.041 451 V CA -1.120 60.906 62.300 -0.457 0.000 1.016 451 V CB 0.244 31.574 31.823 -0.820 0.000 0.984 451 V HN 0.112 nan 8.190 nan 0.000 0.478 452 P HA 0.110 nan 4.420 nan 0.000 0.267 452 P C -1.756 175.408 177.300 -0.227 0.000 1.200 452 P CA -1.055 61.916 63.100 -0.215 0.000 0.772 452 P CB 0.093 31.656 31.700 -0.229 0.000 0.855 453 P HA -0.049 nan 4.420 nan 0.000 0.228 453 P C 0.207 177.386 177.300 -0.200 0.000 1.151 453 P CA 1.238 64.216 63.100 -0.204 0.000 0.770 453 P CB -0.031 31.547 31.700 -0.204 0.000 0.786 454 I N -7.313 113.095 120.570 -0.269 0.000 2.969 454 I HA 0.460 4.634 4.170 0.007 0.000 0.307 454 I C 0.044 176.010 176.117 -0.251 0.000 1.149 454 I CA -1.287 59.866 61.300 -0.246 0.000 1.008 454 I CB 1.867 39.706 38.000 -0.269 0.000 1.232 454 I HN -0.429 nan 8.210 nan 0.000 0.435 455 S N 1.862 117.478 115.700 -0.140 0.000 3.477 455 S HA -0.207 4.267 4.470 0.007 0.000 0.357 455 S C 1.377 175.937 174.600 -0.067 0.000 1.083 455 S CA 0.875 59.044 58.200 -0.052 0.000 1.042 455 S CB -1.739 61.515 63.200 0.090 0.000 0.911 455 S HN 1.286 nan 8.310 nan 0.000 0.490 456 G N 2.389 111.111 108.800 -0.130 0.000 2.719 456 G HA2 -0.359 3.605 3.960 0.007 0.000 0.219 456 G HA3 -0.359 3.605 3.960 0.007 0.000 0.219 456 G C 1.439 176.154 174.900 -0.309 0.000 1.234 456 G CA 1.682 46.695 45.100 -0.145 0.000 0.788 456 G HN 1.337 nan 8.290 nan 0.000 0.619 457 S N -0.129 115.109 115.700 -0.770 0.000 2.595 457 S HA 0.132 4.607 4.470 0.007 0.000 0.235 457 S C 1.938 176.435 174.600 -0.173 0.000 0.974 457 S CA 0.742 58.351 58.200 -0.985 0.000 0.942 457 S CB -0.004 62.516 63.200 -1.132 0.000 0.766 457 S HN 0.078 nan 8.310 nan 0.000 0.536 458 L N 2.295 123.484 121.223 -0.056 0.000 2.492 458 L HA 0.240 4.585 4.340 0.007 0.000 0.223 458 L C 1.392 178.380 176.870 0.196 0.000 1.132 458 L CA 0.744 55.647 54.840 0.104 0.000 0.850 458 L CB -0.798 41.349 42.059 0.146 0.000 0.966 458 L HN 0.581 nan 8.230 nan 0.000 0.454 459 T N -4.157 110.500 114.554 0.172 0.000 2.943 459 T HA 0.343 4.698 4.350 0.007 0.000 0.284 459 T C -1.684 173.156 174.700 0.233 0.000 1.015 459 T CA -1.801 60.429 62.100 0.217 0.000 1.042 459 T CB 1.671 70.635 68.868 0.159 0.000 1.055 459 T HN -0.131 nan 8.240 nan 0.000 0.500 460 P HA -0.042 nan 4.420 nan 0.000 0.222 460 P C 1.814 179.292 177.300 0.297 0.000 1.153 460 P CA 0.856 64.147 63.100 0.318 0.000 0.798 460 P CB -0.322 31.523 31.700 0.240 0.000 0.796 461 V N -3.591 116.452 119.914 0.214 0.000 2.594 461 V HA -0.203 3.922 4.120 0.007 0.000 0.253 461 V C 2.362 178.544 176.094 0.147 0.000 1.069 461 V CA 1.208 63.616 62.300 0.179 0.000 1.082 461 V CB -2.247 29.623 31.823 0.078 0.000 0.680 461 V HN -0.117 nan 8.190 nan 0.000 0.469 462 F N 2.073 121.965 119.950 -0.097 0.000 2.126 462 F HA -0.173 4.358 4.527 0.007 0.000 0.299 462 F C 2.505 178.426 175.800 0.201 0.000 1.096 462 F CA 2.286 60.253 58.000 -0.055 0.000 1.255 462 F CB -0.350 38.463 39.000 -0.311 0.000 0.997 462 F HN 0.278 nan 8.300 nan 0.000 0.479 463 H N -0.731 118.690 119.070 0.584 0.000 2.556 463 H HA 0.074 4.634 4.556 0.007 0.000 0.268 463 H C 0.285 175.866 175.328 0.421 0.000 0.996 463 H CA 0.405 56.742 56.048 0.480 0.000 1.157 463 H CB -0.457 29.564 29.762 0.431 0.000 1.355 463 H HN 0.282 nan 8.280 nan 0.000 0.597 464 Q N 1.928 122.000 119.800 0.453 0.000 2.347 464 Q HA 0.174 4.519 4.340 0.007 0.000 0.262 464 Q C -0.562 175.671 176.000 0.389 0.000 0.980 464 Q CA -0.469 55.553 55.803 0.365 0.000 0.867 464 Q CB 0.852 29.773 28.738 0.305 0.000 1.242 464 Q HN 0.239 nan 8.270 nan 0.000 0.453 465 E N 3.199 123.566 120.200 0.278 0.000 2.408 465 E HA 0.299 4.653 4.350 0.007 0.000 0.259 465 E C -0.462 176.271 176.600 0.221 0.000 1.110 465 E CA 0.217 56.734 56.400 0.196 0.000 0.929 465 E CB 0.828 30.609 29.700 0.136 0.000 0.971 465 E HN 0.599 nan 8.360 nan 0.000 0.438 466 M N 0.959 120.684 119.600 0.209 0.000 2.531 466 M HA 0.337 4.821 4.480 0.007 0.000 0.286 466 M C -1.343 175.063 176.300 0.177 0.000 1.232 466 M CA -0.916 54.519 55.300 0.226 0.000 0.877 466 M CB 2.488 35.283 32.600 0.326 0.000 1.726 466 M HN 0.152 nan 8.290 nan 0.000 0.463 467 V N 1.582 121.613 119.914 0.194 0.000 2.417 467 V HA 0.442 4.566 4.120 0.007 0.000 0.291 467 V C -0.623 175.610 176.094 0.232 0.000 1.024 467 V CA -0.697 61.748 62.300 0.242 0.000 0.861 467 V CB 1.569 33.582 31.823 0.317 0.000 0.985 467 V HN 0.879 nan 8.190 nan 0.000 0.436 468 N N 3.499 122.320 118.700 0.202 0.000 2.342 468 N HA 0.697 5.442 4.740 0.007 0.000 0.293 468 N C -1.704 173.892 175.510 0.143 0.000 1.026 468 N CA -0.411 52.662 53.050 0.037 0.000 0.857 468 N CB 1.880 40.392 38.487 0.042 0.000 1.256 468 N HN 0.727 nan 8.380 nan 0.000 0.484 469 Y N 0.799 121.113 120.300 0.024 0.000 2.677 469 Y HA 0.493 5.047 4.550 0.007 0.000 0.334 469 Y C -1.371 174.526 175.900 -0.004 0.000 1.196 469 Y CA -1.163 56.945 58.100 0.014 0.000 1.059 469 Y CB 0.609 39.081 38.460 0.021 0.000 1.315 469 Y HN 0.189 nan 8.280 nan 0.000 0.455 470 I N 3.387 124.026 120.570 0.115 0.000 2.315 470 I HA 0.429 4.603 4.170 0.007 0.000 0.291 470 I C -0.672 175.497 176.117 0.087 0.000 1.006 470 I CA -0.421 60.899 61.300 0.033 0.000 1.265 470 I CB 0.956 38.968 38.000 0.021 0.000 1.387 470 I HN 0.430 nan 8.210 nan 0.000 0.475 471 L N 5.035 126.275 121.223 0.028 0.000 2.354 471 L HA 0.539 4.884 4.340 0.007 0.000 0.269 471 L C -0.117 176.745 176.870 -0.013 0.000 1.005 471 L CA -0.510 54.356 54.840 0.044 0.000 0.819 471 L CB 2.164 44.249 42.059 0.044 0.000 1.311 471 L HN 0.517 nan 8.230 nan 0.000 0.423 472 S N 1.907 117.610 115.700 0.006 0.000 2.503 472 S HA 0.632 5.106 4.470 0.007 0.000 0.301 472 S C -2.535 172.069 174.600 0.006 0.000 1.087 472 S CA -1.462 56.726 58.200 -0.019 0.000 1.042 472 S CB 1.824 65.030 63.200 0.010 0.000 1.043 472 S HN 0.233 nan 8.310 nan 0.000 0.489 473 P HA 0.387 nan 4.420 nan 0.000 0.269 473 P C -1.370 175.796 177.300 -0.224 0.000 1.217 473 P CA -0.022 62.965 63.100 -0.189 0.000 0.783 473 P CB 0.500 32.023 31.700 -0.295 0.000 0.898 474 A N 1.094 123.748 122.820 -0.277 0.000 2.612 474 A HA 0.636 4.960 4.320 0.007 0.000 0.293 474 A C -1.690 175.704 177.584 -0.317 0.000 1.075 474 A CA -0.433 51.445 52.037 -0.264 0.000 0.680 474 A CB 0.696 19.612 19.000 -0.140 0.000 1.279 474 A HN 0.267 nan 8.150 nan 0.000 0.411 475 F N 1.432 121.286 119.950 -0.162 0.000 2.405 475 F HA 0.610 5.141 4.527 0.006 0.000 0.355 475 F C 1.011 176.689 175.800 -0.203 0.000 1.121 475 F CA 0.240 58.143 58.000 -0.162 0.000 1.112 475 F CB 1.451 40.306 39.000 -0.242 0.000 1.126 475 F HN 0.544 nan 8.300 nan 0.000 0.481 476 R N 1.973 122.489 120.500 0.028 0.000 2.892 476 R HA 0.518 4.862 4.340 0.007 0.000 0.265 476 R C -1.437 174.841 176.300 -0.038 0.000 1.025 476 R CA -1.182 54.864 56.100 -0.090 0.000 0.982 476 R CB 1.483 31.766 30.300 -0.028 0.000 1.185 476 R HN 0.342 nan 8.270 nan 0.000 0.484 477 Y N 1.206 121.527 120.300 0.035 0.000 2.301 477 Y HA 0.179 4.733 4.550 0.007 0.000 0.328 477 Y C 0.519 176.419 175.900 0.000 0.000 1.242 477 Y CA -0.327 57.785 58.100 0.020 0.000 1.323 477 Y CB 0.984 39.447 38.460 0.005 0.000 1.266 477 Y HN 0.449 nan 8.280 nan 0.000 0.527 478 Q N 1.446 121.339 119.800 0.154 0.000 2.456 478 Q HA 0.669 5.013 4.340 0.007 0.000 0.284 478 Q C -3.069 172.895 176.000 -0.059 0.000 1.061 478 Q CA -2.456 53.368 55.803 0.035 0.000 0.799 478 Q CB 1.922 30.673 28.738 0.022 0.000 1.445 478 Q HN 0.292 nan 8.270 nan 0.000 0.411 479 P HA 0.058 nan 4.420 nan 0.000 0.270 479 P C -0.977 176.096 177.300 -0.377 0.000 1.223 479 P CA -0.050 62.919 63.100 -0.219 0.000 0.785 479 P CB 0.400 31.988 31.700 -0.186 0.000 0.923 480 D N 2.738 122.772 120.400 -0.609 0.000 2.389 480 D HA 0.016 4.661 4.640 0.007 0.000 0.247 480 D C -1.088 174.574 176.300 -1.063 0.000 1.128 480 D CA -1.013 52.295 54.000 -1.153 0.000 0.884 480 D CB 0.460 40.114 40.800 -1.911 0.000 1.194 480 D HN 0.284 nan 8.370 nan 0.000 0.441 481 P HA -0.097 nan 4.420 nan 0.000 0.225 481 P C 0.245 177.202 177.300 -0.571 0.000 1.148 481 P CA 0.821 63.508 63.100 -0.688 0.000 0.779 481 P CB 0.101 31.369 31.700 -0.720 0.000 0.780 482 W N 0.000 120.896 121.300 -0.673 0.000 2.388 482 W HA 0.000 4.664 4.660 0.007 0.000 0.303 482 W CA 0.000 57.099 57.345 -0.410 0.000 1.226 482 W CB 0.000 29.206 29.460 -0.423 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535