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 3ebf_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.201 176.000 0.335 0.000 1.003 77 Q CA 0.000 55.855 55.803 0.087 0.000 1.022 77 Q CB 0.000 28.747 28.738 0.014 0.000 1.108 78 Y N -3.034 117.365 120.300 0.165 0.000 2.609 78 Y HA 0.853 5.403 4.550 0.000 0.000 0.336 78 Y C -0.968 174.943 175.900 0.018 0.000 1.129 78 Y CA -2.230 55.958 58.100 0.146 0.000 1.040 78 Y CB 0.968 39.463 38.460 0.058 0.000 1.310 78 Y HN 0.099 nan 8.280 nan 0.000 0.460 79 V N 3.616 123.688 119.914 0.263 0.000 2.398 79 V HA 0.511 4.631 4.120 0.000 0.000 0.286 79 V C 0.022 176.269 176.094 0.254 0.000 1.026 79 V CA -0.948 61.404 62.300 0.085 0.000 0.868 79 V CB 1.260 32.977 31.823 -0.176 0.000 0.982 79 V HN 0.772 nan 8.190 nan 0.000 0.443 80 R N 4.453 125.089 120.500 0.226 0.000 2.438 80 R HA 0.483 4.823 4.340 0.000 0.000 0.287 80 R C -0.881 175.489 176.300 0.117 0.000 1.077 80 R CA -0.323 55.914 56.100 0.228 0.000 1.034 80 R CB 0.657 31.072 30.300 0.192 0.000 0.993 80 R HN 0.430 nan 8.270 nan 0.000 0.459 81 I N 2.486 123.098 120.570 0.070 0.000 2.533 81 I HA 0.307 4.477 4.170 0.000 0.000 0.290 81 I C -0.264 175.811 176.117 -0.070 0.000 1.056 81 I CA -0.634 60.671 61.300 0.007 0.000 1.057 81 I CB 1.898 39.880 38.000 -0.029 0.000 1.240 81 I HN 0.555 nan 8.210 nan 0.000 0.423 82 K N 4.863 125.219 120.400 -0.074 0.000 2.318 82 K HA 0.400 4.720 4.320 0.000 0.000 0.249 82 K C -0.734 175.748 176.600 -0.198 0.000 0.942 82 K CA -0.626 55.518 56.287 -0.239 0.000 0.808 82 K CB 1.963 34.162 32.500 -0.501 0.000 1.189 82 K HN 0.559 nan 8.250 nan 0.000 0.428 83 N N 3.834 122.399 118.700 -0.224 0.000 2.469 83 N HA 0.110 4.850 4.740 0.000 0.000 0.253 83 N C -0.370 175.077 175.510 -0.104 0.000 0.970 83 N CA -0.365 52.666 53.050 -0.031 0.000 0.940 83 N CB 0.482 38.972 38.487 0.005 0.000 1.128 83 N HN 0.644 nan 8.380 nan 0.000 0.503 84 W N 2.336 123.716 121.300 0.133 0.000 2.961 84 W HA 0.226 4.886 4.660 0.000 0.000 0.240 84 W C 1.969 178.534 176.519 0.078 0.000 1.305 84 W CA -0.023 57.393 57.345 0.118 0.000 1.465 84 W CB 0.201 29.760 29.460 0.165 0.000 1.135 84 W HN 0.659 nan 8.180 nan 0.000 0.688 85 G N -0.648 108.276 108.800 0.207 0.000 2.492 85 G HA2 -0.108 3.852 3.960 0.000 0.000 0.214 85 G HA3 -0.108 3.852 3.960 0.000 0.000 0.214 85 G C 1.426 176.333 174.900 0.012 0.000 1.147 85 G CA 1.073 46.191 45.100 0.030 0.000 0.809 85 G HN 0.258 nan 8.290 nan 0.000 0.533 86 S N -1.872 113.833 115.700 0.007 0.000 2.632 86 S HA 0.399 4.869 4.470 0.000 0.000 0.237 86 S C 1.805 176.368 174.600 -0.063 0.000 1.037 86 S CA 1.015 59.200 58.200 -0.025 0.000 1.009 86 S CB 0.533 63.717 63.200 -0.026 0.000 0.974 86 S HN 1.429 nan 8.310 nan 0.000 0.544 87 G N 1.630 110.366 108.800 -0.106 0.000 2.212 87 G HA2 -0.346 3.614 3.960 0.000 0.000 0.266 87 G HA3 -0.346 3.614 3.960 0.000 0.000 0.266 87 G C -0.105 174.681 174.900 -0.190 0.000 0.978 87 G CA 0.456 45.449 45.100 -0.180 0.000 0.632 87 G HN 0.768 nan 8.290 nan 0.000 0.537 88 E N 0.679 120.789 120.200 -0.150 0.000 2.452 88 E HA 0.309 4.659 4.350 0.000 0.000 0.261 88 E C 0.306 176.789 176.600 -0.194 0.000 0.987 88 E CA -0.251 56.057 56.400 -0.153 0.000 0.926 88 E CB 0.159 29.784 29.700 -0.124 0.000 0.934 88 E HN 0.215 nan 8.360 nan 0.000 0.452 89 I N 5.286 125.736 120.570 -0.201 0.000 2.493 89 I HA 0.367 4.537 4.170 0.000 0.000 0.298 89 I C 0.023 175.964 176.117 -0.293 0.000 0.998 89 I CA -0.628 60.544 61.300 -0.214 0.000 1.137 89 I CB 1.148 39.051 38.000 -0.161 0.000 1.310 89 I HN 0.572 nan 8.210 nan 0.000 0.445 90 L N 4.894 125.946 121.223 -0.285 0.000 2.371 90 L HA 0.480 4.820 4.340 0.000 0.000 0.262 90 L C -0.735 176.054 176.870 -0.135 0.000 1.006 90 L CA -0.695 53.912 54.840 -0.389 0.000 0.818 90 L CB 2.533 44.170 42.059 -0.704 0.000 1.354 90 L HN 0.544 nan 8.230 nan 0.000 0.415 91 H N 0.860 119.831 119.070 -0.165 0.000 2.587 91 H HA 0.208 4.764 4.556 0.000 0.000 0.325 91 H C -1.226 174.215 175.328 0.188 0.000 1.012 91 H CA -0.783 55.177 56.048 -0.146 0.000 1.213 91 H CB 2.240 31.655 29.762 -0.578 0.000 1.431 91 H HN 0.410 nan 8.280 nan 0.000 0.492 92 D N 2.727 123.378 120.400 0.418 0.000 2.317 92 D HA 0.041 4.681 4.640 0.000 0.000 0.234 92 D C 0.759 177.289 176.300 0.383 0.000 1.112 92 D CA -0.168 54.089 54.000 0.429 0.000 0.840 92 D CB 1.477 42.511 40.800 0.390 0.000 1.078 92 D HN 0.734 nan 8.370 nan 0.000 0.486 93 T N 0.976 115.689 114.554 0.264 0.000 2.955 93 T HA -0.038 4.312 4.350 0.000 0.000 0.251 93 T C 1.869 176.560 174.700 -0.014 0.000 1.002 93 T CA -0.234 61.991 62.100 0.208 0.000 0.970 93 T CB 0.043 69.039 68.868 0.213 0.000 1.091 93 T HN 0.235 nan 8.240 nan 0.000 0.495 94 L N 3.399 124.610 121.223 -0.021 0.000 2.079 94 L HA -0.144 4.196 4.340 0.000 0.000 0.210 94 L C 2.635 179.318 176.870 -0.311 0.000 1.081 94 L CA 2.121 56.908 54.840 -0.088 0.000 0.752 94 L CB -0.975 41.080 42.059 -0.006 0.000 0.896 94 L HN 0.609 nan 8.230 nan 0.000 0.433 95 H N -2.285 116.374 119.070 -0.684 0.000 2.492 95 H HA -0.226 4.330 4.556 0.000 0.000 0.296 95 H C 1.834 176.797 175.328 -0.608 0.000 1.095 95 H CA 2.042 57.350 56.048 -1.233 0.000 1.281 95 H CB -1.077 27.979 29.762 -1.177 0.000 1.374 95 H HN 0.577 nan 8.280 nan 0.000 0.545 96 H N 0.528 119.039 119.070 -0.933 0.000 2.456 96 H HA -0.017 4.540 4.556 0.000 0.000 0.296 96 H C 1.940 177.096 175.328 -0.287 0.000 1.079 96 H CA 1.217 56.924 56.048 -0.569 0.000 1.322 96 H CB 0.255 29.742 29.762 -0.458 0.000 1.388 96 H HN 0.160 nan 8.280 nan 0.000 0.538 97 K N 0.782 121.104 120.400 -0.129 0.000 2.555 97 K HA 0.120 4.440 4.320 0.000 0.000 0.193 97 K C 0.053 176.637 176.600 -0.026 0.000 1.032 97 K CA 0.224 56.483 56.287 -0.046 0.000 1.004 97 K CB 0.175 32.664 32.500 -0.018 0.000 0.804 97 K HN 0.246 nan 8.250 nan 0.000 0.496 98 A N 0.143 122.918 122.820 -0.074 0.000 2.327 98 A HA 0.343 4.663 4.320 0.000 0.000 0.283 98 A C 0.465 178.046 177.584 -0.006 0.000 1.127 98 A CA -0.056 51.968 52.037 -0.022 0.000 0.810 98 A CB 0.384 19.361 19.000 -0.039 0.000 1.066 98 A HN 0.320 nan 8.150 nan 0.000 0.492 99 T N -1.482 113.086 114.554 0.023 0.000 3.460 99 T HA 0.404 4.754 4.350 0.000 0.000 0.304 99 T C -0.144 174.591 174.700 0.058 0.000 0.991 99 T CA 0.334 62.461 62.100 0.045 0.000 0.975 99 T CB -0.952 67.960 68.868 0.073 0.000 1.196 99 T HN 1.126 nan 8.240 nan 0.000 0.490 100 S N 0.358 116.090 115.700 0.053 0.000 2.647 100 S HA 0.500 4.970 4.470 0.000 0.000 0.300 100 S C -0.872 173.791 174.600 0.106 0.000 1.129 100 S CA -0.825 57.417 58.200 0.070 0.000 1.029 100 S CB 1.222 64.456 63.200 0.056 0.000 1.007 100 S HN 0.215 nan 8.310 nan 0.000 0.484 101 D N 2.168 122.628 120.400 0.099 0.000 2.648 101 D HA 0.052 4.692 4.640 0.000 0.000 0.229 101 D C -0.122 176.295 176.300 0.195 0.000 1.119 101 D CA 0.894 54.967 54.000 0.123 0.000 0.850 101 D CB 0.244 41.092 40.800 0.080 0.000 1.169 101 D HN 0.442 nan 8.370 nan 0.000 0.489 102 F N 0.827 120.792 119.950 0.024 0.000 2.272 102 F HA 0.072 4.599 4.527 0.000 0.000 0.316 102 F C 2.198 178.019 175.800 0.036 0.000 1.068 102 F CA -0.291 57.726 58.000 0.029 0.000 1.114 102 F CB 0.085 39.109 39.000 0.040 0.000 1.611 102 F HN 0.344 nan 8.300 nan 0.000 0.519 103 T N -0.809 113.410 114.554 -0.558 0.000 2.612 103 T HA -0.086 4.264 4.350 0.000 0.000 0.259 103 T C 1.233 175.897 174.700 -0.060 0.000 1.065 103 T CA 0.872 62.764 62.100 -0.347 0.000 1.167 103 T CB -1.306 67.269 68.868 -0.489 0.000 0.863 103 T HN 0.500 nan 8.240 nan 0.000 0.407 104 C N 2.931 122.264 119.300 0.054 0.000 2.745 104 C HA 0.252 4.712 4.460 0.000 0.000 0.402 104 C C 1.394 176.435 174.990 0.084 0.000 1.261 104 C CA -0.577 58.498 59.018 0.095 0.000 1.908 104 C CB -0.473 27.360 27.740 0.156 0.000 2.707 104 C HN 0.633 nan 8.230 nan 0.000 0.672 105 K N 0.830 121.265 120.400 0.059 0.000 2.443 105 K HA 0.263 4.583 4.320 0.000 0.000 0.284 105 K C 1.497 178.126 176.600 0.048 0.000 0.992 105 K CA 0.157 56.473 56.287 0.048 0.000 1.292 105 K CB 0.075 32.594 32.500 0.032 0.000 1.705 105 K HN 0.727 nan 8.250 nan 0.000 0.778 106 S N 0.259 115.979 115.700 0.035 0.000 2.446 106 S HA -0.044 4.426 4.470 0.000 0.000 0.225 106 S C 1.051 175.666 174.600 0.024 0.000 1.016 106 S CA 0.754 58.972 58.200 0.029 0.000 0.943 106 S CB -0.173 63.041 63.200 0.023 0.000 0.786 106 S HN 0.602 nan 8.310 nan 0.000 0.508 107 K N -0.137 120.277 120.400 0.023 0.000 2.625 107 K HA 0.332 4.652 4.320 0.000 0.000 0.190 107 K C -0.233 176.378 176.600 0.019 0.000 1.174 107 K CA -0.200 56.098 56.287 0.018 0.000 1.103 107 K CB 0.610 33.118 32.500 0.014 0.000 0.900 107 K HN 0.094 nan 8.250 nan 0.000 0.540 108 S N 1.334 117.048 115.700 0.024 0.000 2.664 108 S HA 0.242 4.712 4.470 0.000 0.000 0.262 108 S C -0.937 173.682 174.600 0.032 0.000 1.229 108 S CA -0.587 57.627 58.200 0.024 0.000 1.151 108 S CB 0.735 63.947 63.200 0.020 0.000 1.054 108 S HN 0.415 nan 8.310 nan 0.000 0.483 109 C N 6.675 125.995 119.300 0.034 0.000 2.482 109 C HA 0.520 4.980 4.460 0.000 0.000 0.378 109 C C 0.504 175.519 174.990 0.042 0.000 1.284 109 C CA -0.460 58.587 59.018 0.048 0.000 1.826 109 C CB -1.639 26.129 27.740 0.047 0.000 2.473 109 C HN 0.845 nan 8.230 nan 0.000 0.562 110 L N 6.913 128.159 121.223 0.040 0.000 3.073 110 L HA 0.328 4.668 4.340 0.000 0.000 0.242 110 L C 1.895 178.787 176.870 0.036 0.000 1.317 110 L CA 0.520 55.374 54.840 0.024 0.000 1.081 110 L CB -0.270 41.787 42.059 -0.004 0.000 1.456 110 L HN 0.983 nan 8.230 nan 0.000 0.525 111 G N 0.054 108.897 108.800 0.072 0.000 2.442 111 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 111 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 111 G C 1.534 176.513 174.900 0.132 0.000 1.141 111 G CA 1.113 46.282 45.100 0.114 0.000 0.763 111 G HN 0.542 nan 8.290 nan 0.000 0.554 112 S N 0.006 115.773 115.700 0.113 0.000 2.631 112 S HA 0.310 4.780 4.470 0.000 0.000 0.217 112 S C 0.741 175.419 174.600 0.130 0.000 0.958 112 S CA -0.542 57.741 58.200 0.138 0.000 0.920 112 S CB -0.035 63.230 63.200 0.108 0.000 0.776 112 S HN 0.058 nan 8.310 nan 0.000 0.517 113 I N 2.420 123.048 120.570 0.096 0.000 2.533 113 I HA 0.156 4.326 4.170 0.000 0.000 0.284 113 I C 1.572 177.758 176.117 0.115 0.000 1.109 113 I CA 0.067 61.413 61.300 0.076 0.000 1.412 113 I CB 0.118 38.134 38.000 0.027 0.000 1.396 113 I HN 0.327 nan 8.210 nan 0.000 0.543 114 M N 4.728 124.404 119.600 0.126 0.000 2.123 114 M HA -0.072 4.408 4.480 0.000 0.000 0.263 114 M C 0.240 176.575 176.300 0.057 0.000 1.069 114 M CA 1.469 56.875 55.300 0.177 0.000 1.133 114 M CB -0.028 32.671 32.600 0.165 0.000 1.356 114 M HN 0.513 nan 8.290 nan 0.000 0.415 115 N N 1.165 119.854 118.700 -0.018 0.000 2.844 115 N HA 0.318 5.058 4.740 0.000 0.000 0.268 115 N C -2.514 172.996 175.510 0.000 0.000 1.574 115 N CA -0.744 52.257 53.050 -0.080 0.000 0.838 115 N CB 0.583 38.945 38.487 -0.208 0.000 1.177 115 N HN 0.224 nan 8.380 nan 0.000 0.495 116 P HA 0.221 nan 4.420 nan 0.000 0.276 116 P C 0.619 177.930 177.300 0.018 0.000 1.252 116 P CA -0.352 62.740 63.100 -0.013 0.000 0.802 116 P CB 2.055 33.701 31.700 -0.089 0.000 1.035 117 K N 0.316 120.713 120.400 -0.005 0.000 2.097 117 K HA -0.097 4.223 4.320 0.000 0.000 0.206 117 K C 2.103 178.719 176.600 0.027 0.000 1.049 117 K CA 1.931 58.225 56.287 0.012 0.000 0.933 117 K CB -0.432 32.064 32.500 -0.006 0.000 0.717 117 K HN 0.547 nan 8.250 nan 0.000 0.442 118 S N 0.931 116.619 115.700 -0.021 0.000 2.465 118 S HA -0.101 4.369 4.470 0.000 0.000 0.241 118 S C 1.574 176.238 174.600 0.107 0.000 1.000 118 S CA 0.919 59.113 58.200 -0.009 0.000 0.964 118 S CB -0.270 62.826 63.200 -0.173 0.000 0.763 118 S HN 0.236 nan 8.310 nan 0.000 0.512 119 L N 0.924 122.237 121.223 0.150 0.000 2.728 119 L HA 0.304 4.644 4.340 0.000 0.000 0.238 119 L C -0.141 177.015 176.870 0.477 0.000 1.143 119 L CA -0.109 54.913 54.840 0.303 0.000 0.937 119 L CB 0.267 42.449 42.059 0.204 0.000 1.225 119 L HN 0.174 nan 8.230 nan 0.000 0.507 120 T N -0.053 114.703 114.554 0.337 0.000 2.829 120 T HA 0.456 4.806 4.350 0.000 0.000 0.280 120 T C -0.487 174.221 174.700 0.013 0.000 0.999 120 T CA -0.468 61.775 62.100 0.238 0.000 0.983 120 T CB 2.338 71.292 68.868 0.144 0.000 0.968 120 T HN -0.096 nan 8.240 nan 0.000 0.446 121 R N 1.906 122.376 120.500 -0.051 0.000 2.352 121 R HA 0.580 4.920 4.340 0.000 0.000 0.304 121 R C 0.462 176.707 176.300 -0.091 0.000 1.104 121 R CA -0.468 55.495 56.100 -0.228 0.000 0.991 121 R CB 0.170 30.220 30.300 -0.417 0.000 1.140 121 R HN 0.835 nan 8.270 nan 0.000 0.540 122 G N 3.510 112.260 108.800 -0.083 0.000 2.611 122 G HA2 0.296 4.256 3.960 0.000 0.000 0.273 122 G HA3 0.296 4.256 3.960 0.000 0.000 0.273 122 G C -1.991 172.874 174.900 -0.059 0.000 1.305 122 G CA -0.828 44.234 45.100 -0.064 0.000 1.010 122 G HN 0.572 nan 8.290 nan 0.000 0.509 123 P HA 0.382 nan 4.420 nan 0.000 0.277 123 P C -0.622 176.658 177.300 -0.033 0.000 1.271 123 P CA -0.332 62.742 63.100 -0.043 0.000 0.795 123 P CB 1.368 33.038 31.700 -0.051 0.000 1.101 124 R N -0.577 119.911 120.500 -0.021 0.000 2.869 124 R HA 0.364 4.704 4.340 0.000 0.000 0.263 124 R C -0.339 175.958 176.300 -0.004 0.000 1.066 124 R CA -0.499 55.594 56.100 -0.012 0.000 0.960 124 R CB 1.121 31.416 30.300 -0.008 0.000 1.221 124 R HN 0.450 nan 8.270 nan 0.000 0.474 125 D N -0.570 119.831 120.400 0.002 0.000 2.497 125 D HA 0.168 4.808 4.640 0.000 0.000 0.256 125 D C -0.517 175.794 176.300 0.018 0.000 1.273 125 D CA -0.159 53.846 54.000 0.008 0.000 0.812 125 D CB 0.628 41.428 40.800 -0.001 0.000 1.190 125 D HN 0.238 nan 8.370 nan 0.000 0.524 126 K N 0.162 120.572 120.400 0.017 0.000 2.551 126 K HA 0.522 4.842 4.320 0.000 0.000 0.269 126 K C -2.990 173.621 176.600 0.018 0.000 0.949 126 K CA -1.771 54.528 56.287 0.019 0.000 0.849 126 K CB 2.486 34.994 32.500 0.014 0.000 1.411 126 K HN -0.233 nan 8.250 nan 0.000 0.432 127 P HA 0.009 nan 4.420 nan 0.000 0.271 127 P C -0.703 176.607 177.300 0.017 0.000 1.233 127 P CA -0.163 62.947 63.100 0.017 0.000 0.789 127 P CB 0.360 32.072 31.700 0.019 0.000 0.951 128 T N 3.238 117.805 114.554 0.022 0.000 2.834 128 T HA 0.168 4.518 4.350 0.000 0.000 0.298 128 T C -2.082 172.637 174.700 0.032 0.000 0.966 128 T CA -0.643 61.475 62.100 0.030 0.000 1.141 128 T CB -0.539 68.358 68.868 0.048 0.000 0.905 128 T HN 0.296 nan 8.240 nan 0.000 0.535 129 P HA -0.031 nan 4.420 nan 0.000 0.263 129 P C 1.118 178.426 177.300 0.013 0.000 1.175 129 P CA -0.341 62.768 63.100 0.014 0.000 0.761 129 P CB 0.408 32.112 31.700 0.007 0.000 0.794 130 L N 4.961 126.189 121.223 0.008 0.000 2.013 130 L HA -0.211 4.129 4.340 0.000 0.000 0.212 130 L C 1.945 178.804 176.870 -0.018 0.000 1.073 130 L CA 2.339 57.181 54.840 0.002 0.000 0.753 130 L CB -1.245 40.813 42.059 -0.001 0.000 0.890 130 L HN 0.561 nan 8.230 nan 0.000 0.432 131 E N -0.878 119.308 120.200 -0.023 0.000 2.171 131 E HA -0.302 4.048 4.350 0.000 0.000 0.197 131 E C 1.908 178.464 176.600 -0.073 0.000 0.997 131 E CA 1.732 58.107 56.400 -0.042 0.000 0.810 131 E CB -0.395 29.286 29.700 -0.032 0.000 0.738 131 E HN 0.694 nan 8.360 nan 0.000 0.467 132 E N 0.187 120.352 120.200 -0.058 0.000 2.075 132 E HA -0.095 4.255 4.350 0.000 0.000 0.190 132 E C 2.102 178.628 176.600 -0.123 0.000 0.969 132 E CA 0.312 56.655 56.400 -0.095 0.000 0.815 132 E CB 0.072 29.769 29.700 -0.005 0.000 0.776 132 E HN 0.234 nan 8.360 nan 0.000 0.457 133 L N 1.073 122.296 121.223 -0.001 0.000 1.976 133 L HA -0.145 4.195 4.340 0.000 0.000 0.209 133 L C 2.310 179.197 176.870 0.029 0.000 1.071 133 L CA 1.396 56.282 54.840 0.077 0.000 0.746 133 L CB -0.861 41.262 42.059 0.106 0.000 0.890 133 L HN 0.238 nan 8.230 nan 0.000 0.432 134 L N 0.193 121.400 121.223 -0.027 0.000 2.010 134 L HA -0.198 4.142 4.340 0.000 0.000 0.219 134 L C -0.463 176.372 176.870 -0.058 0.000 1.077 134 L CA 2.483 57.286 54.840 -0.061 0.000 0.773 134 L CB -1.913 40.110 42.059 -0.060 0.000 0.892 134 L HN 0.217 nan 8.230 nan 0.000 0.436 135 P HA -0.144 nan 4.420 nan 0.000 0.216 135 P C 1.271 178.571 177.300 0.000 0.000 1.150 135 P CA 1.535 64.579 63.100 -0.095 0.000 0.837 135 P CB -0.191 31.395 31.700 -0.190 0.000 0.786 136 H N -0.676 118.433 119.070 0.065 0.000 2.357 136 H HA 0.072 4.628 4.556 0.000 0.000 0.301 136 H C 1.997 177.422 175.328 0.162 0.000 1.082 136 H CA 1.416 57.531 56.048 0.111 0.000 1.342 136 H CB -1.066 28.764 29.762 0.113 0.000 1.389 136 H HN 0.040 nan 8.280 nan 0.000 0.511 137 A N 1.171 124.130 122.820 0.232 0.000 1.902 137 A HA -0.122 4.198 4.320 0.000 0.000 0.217 137 A C 2.658 180.327 177.584 0.142 0.000 1.181 137 A CA 1.392 53.517 52.037 0.147 0.000 0.623 137 A CB -0.832 17.965 19.000 -0.338 0.000 0.818 137 A HN 0.307 nan 8.150 nan 0.000 0.443 138 I N -0.693 119.919 120.570 0.070 0.000 2.226 138 I HA -0.217 3.954 4.170 0.000 0.000 0.245 138 I C 2.639 178.832 176.117 0.126 0.000 1.100 138 I CA 1.513 62.855 61.300 0.070 0.000 1.374 138 I CB -0.337 37.679 38.000 0.027 0.000 1.057 138 I HN 0.395 nan 8.210 nan 0.000 0.413 139 E N 1.096 121.393 120.200 0.163 0.000 2.077 139 E HA -0.256 4.094 4.350 0.000 0.000 0.193 139 E C 2.126 178.856 176.600 0.217 0.000 0.989 139 E CA 1.484 57.989 56.400 0.175 0.000 0.800 139 E CB -0.189 29.631 29.700 0.200 0.000 0.746 139 E HN 0.420 nan 8.360 nan 0.000 0.452 140 F N 1.493 121.538 119.950 0.159 0.000 2.113 140 F HA -0.176 4.351 4.527 0.000 0.000 0.297 140 F C 2.117 178.024 175.800 0.178 0.000 1.103 140 F CA 0.958 59.073 58.000 0.191 0.000 1.248 140 F CB -0.333 38.800 39.000 0.222 0.000 0.999 140 F HN -0.041 nan 8.300 nan 0.000 0.475 141 I N 1.010 121.527 120.570 -0.089 0.000 2.208 141 I HA -0.320 3.850 4.170 0.000 0.000 0.245 141 I C 2.028 178.061 176.117 -0.139 0.000 1.097 141 I CA 1.266 62.482 61.300 -0.140 0.000 1.363 141 I CB -1.609 36.455 38.000 0.107 0.000 1.051 141 I HN 0.253 nan 8.210 nan 0.000 0.413 142 N N 0.639 119.321 118.700 -0.029 0.000 2.188 142 N HA -0.195 4.546 4.740 0.000 0.000 0.184 142 N C 1.864 177.264 175.510 -0.183 0.000 1.018 142 N CA 0.988 54.012 53.050 -0.044 0.000 0.858 142 N CB -0.298 38.257 38.487 0.114 0.000 0.989 142 N HN 0.497 nan 8.380 nan 0.000 0.426 143 Q N -0.292 119.434 119.800 -0.124 0.000 2.050 143 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 143 Q C 1.914 177.724 176.000 -0.316 0.000 0.980 143 Q CA 1.303 57.066 55.803 -0.066 0.000 0.840 143 Q CB -0.158 28.674 28.738 0.157 0.000 0.898 143 Q HN 0.474 nan 8.270 nan 0.000 0.424 144 Y N -0.518 119.297 120.300 -0.809 0.000 2.097 144 Y HA -0.315 4.236 4.550 0.000 0.000 0.282 144 Y C 1.676 176.740 175.900 -1.393 0.000 1.152 144 Y CA 1.858 59.104 58.100 -1.423 0.000 1.136 144 Y CB -0.292 37.318 38.460 -1.417 0.000 0.975 144 Y HN 0.143 nan 8.280 nan 0.000 0.498 145 Y N -0.118 119.416 120.300 -1.277 0.000 2.439 145 Y HA 0.013 4.563 4.550 0.000 0.000 0.292 145 Y C 2.529 177.751 175.900 -1.129 0.000 1.130 145 Y CA 1.127 58.226 58.100 -1.669 0.000 1.254 145 Y CB -0.720 36.863 38.460 -1.462 0.000 1.000 145 Y HN 0.242 nan 8.280 nan 0.000 0.554 146 G N -1.324 107.121 108.800 -0.591 0.000 2.650 146 G HA2 -0.166 3.794 3.960 0.000 0.000 0.214 146 G HA3 -0.166 3.794 3.960 0.000 0.000 0.214 146 G C 1.644 176.410 174.900 -0.222 0.000 1.136 146 G CA 0.923 45.850 45.100 -0.288 0.000 0.789 146 G HN 0.450 nan 8.290 nan 0.000 0.536 147 S N -0.268 115.228 115.700 -0.340 0.000 2.501 147 S HA 0.263 4.733 4.470 0.000 0.000 0.220 147 S C 0.771 175.411 174.600 0.066 0.000 0.997 147 S CA -0.687 57.460 58.200 -0.089 0.000 0.919 147 S CB -0.348 62.832 63.200 -0.033 0.000 0.778 147 S HN 0.232 nan 8.310 nan 0.000 0.523 148 F N 2.657 122.437 119.950 -0.284 0.000 2.578 148 F HA 0.177 4.704 4.527 0.000 0.000 0.376 148 F C 1.837 177.572 175.800 -0.107 0.000 1.085 148 F CA -0.607 57.265 58.000 -0.213 0.000 1.260 148 F CB 0.677 39.546 39.000 -0.217 0.000 1.095 148 F HN 0.155 nan 8.300 nan 0.000 0.573 149 K N 1.623 122.074 120.400 0.085 0.000 2.148 149 K HA -0.100 4.220 4.320 0.000 0.000 0.204 149 K C 0.030 176.658 176.600 0.047 0.000 1.050 149 K CA 1.118 57.431 56.287 0.043 0.000 0.942 149 K CB 0.251 32.755 32.500 0.006 0.000 0.724 149 K HN 0.504 nan 8.250 nan 0.000 0.446 150 E N 1.156 121.389 120.200 0.054 0.000 2.149 150 E HA 0.228 4.578 4.350 0.000 0.000 0.255 150 E C -1.015 175.663 176.600 0.131 0.000 0.888 150 E CA -0.325 56.108 56.400 0.056 0.000 0.742 150 E CB 1.434 31.142 29.700 0.013 0.000 1.164 150 E HN 0.310 nan 8.360 nan 0.000 0.422 151 A N 3.359 126.253 122.820 0.124 0.000 2.547 151 A HA 0.043 4.363 4.320 0.000 0.000 0.233 151 A C 0.298 177.988 177.584 0.176 0.000 1.067 151 A CA 0.336 52.465 52.037 0.153 0.000 0.763 151 A CB 0.249 19.297 19.000 0.080 0.000 1.007 151 A HN 0.473 nan 8.150 nan 0.000 0.506 152 K N 2.734 123.272 120.400 0.230 0.000 3.084 152 K HA 0.219 4.539 4.320 0.000 0.000 0.172 152 K C 0.408 177.061 176.600 0.087 0.000 1.078 152 K CA -0.598 55.808 56.287 0.199 0.000 0.875 152 K CB 0.476 33.194 32.500 0.363 0.000 1.064 152 K HN 0.594 nan 8.250 nan 0.000 0.597 153 I N 1.172 121.768 120.570 0.044 0.000 2.113 153 I HA -0.367 3.803 4.170 0.000 0.000 0.242 153 I C 1.946 178.017 176.117 -0.077 0.000 1.057 153 I CA 1.910 63.198 61.300 -0.020 0.000 1.314 153 I CB -0.643 37.337 38.000 -0.032 0.000 1.022 153 I HN 0.543 nan 8.210 nan 0.000 0.408 154 E N 0.471 120.645 120.200 -0.045 0.000 2.058 154 E HA -0.245 4.105 4.350 0.000 0.000 0.194 154 E C 2.149 178.704 176.600 -0.076 0.000 0.997 154 E CA 1.507 57.875 56.400 -0.054 0.000 0.801 154 E CB -0.142 29.547 29.700 -0.018 0.000 0.746 154 E HN 0.567 nan 8.360 nan 0.000 0.450 155 E N -0.429 119.742 120.200 -0.049 0.000 2.110 155 E HA -0.212 4.138 4.350 0.000 0.000 0.193 155 E C 2.042 178.412 176.600 -0.383 0.000 0.988 155 E CA 0.862 57.227 56.400 -0.057 0.000 0.804 155 E CB -0.173 29.622 29.700 0.158 0.000 0.745 155 E HN 0.421 nan 8.360 nan 0.000 0.458 156 H N 0.745 119.312 119.070 -0.839 0.000 2.293 156 H HA -0.115 4.442 4.556 0.000 0.000 0.300 156 H C 2.251 177.223 175.328 -0.593 0.000 1.082 156 H CA 1.223 56.479 56.048 -1.320 0.000 1.308 156 H CB 0.054 29.318 29.762 -0.831 0.000 1.375 156 H HN 0.060 nan 8.280 nan 0.000 0.495 157 L N 0.350 121.391 121.223 -0.303 0.000 2.042 157 L HA -0.187 4.153 4.340 0.000 0.000 0.210 157 L C 3.073 179.858 176.870 -0.142 0.000 1.076 157 L CA 0.965 55.656 54.840 -0.249 0.000 0.749 157 L CB -0.606 41.331 42.059 -0.204 0.000 0.893 157 L HN 0.418 nan 8.230 nan 0.000 0.432 158 A N 0.097 122.849 122.820 -0.113 0.000 1.902 158 A HA -0.254 4.066 4.320 0.000 0.000 0.217 158 A C 2.365 179.935 177.584 -0.024 0.000 1.181 158 A CA 1.879 53.885 52.037 -0.053 0.000 0.623 158 A CB -0.487 18.498 19.000 -0.025 0.000 0.818 158 A HN 0.271 nan 8.150 nan 0.000 0.443 159 R N 0.100 120.584 120.500 -0.026 0.000 2.081 159 R HA -0.016 4.324 4.340 0.000 0.000 0.235 159 R C 1.920 178.248 176.300 0.047 0.000 1.131 159 R CA 1.636 57.773 56.100 0.062 0.000 0.960 159 R CB -0.994 29.414 30.300 0.180 0.000 0.856 159 R HN 0.531 nan 8.270 nan 0.000 0.436 160 L N 0.160 121.391 121.223 0.014 0.000 2.012 160 L HA -0.205 4.135 4.340 0.000 0.000 0.210 160 L C 2.569 179.424 176.870 -0.025 0.000 1.073 160 L CA 2.114 56.955 54.840 0.002 0.000 0.748 160 L CB -0.594 41.440 42.059 -0.040 0.000 0.891 160 L HN 0.395 nan 8.230 nan 0.000 0.431 161 E N 0.035 120.214 120.200 -0.035 0.000 2.038 161 E HA -0.267 4.084 4.350 0.000 0.000 0.195 161 E C 2.224 178.815 176.600 -0.015 0.000 1.000 161 E CA 1.302 57.684 56.400 -0.031 0.000 0.803 161 E CB -0.055 29.626 29.700 -0.033 0.000 0.750 161 E HN 0.458 nan 8.360 nan 0.000 0.448 162 A N 0.466 123.288 122.820 0.003 0.000 1.883 162 A HA -0.185 4.135 4.320 0.000 0.000 0.217 162 A C 2.441 180.036 177.584 0.019 0.000 1.186 162 A CA 1.751 53.801 52.037 0.022 0.000 0.624 162 A CB -0.880 18.148 19.000 0.046 0.000 0.822 162 A HN 0.243 nan 8.150 nan 0.000 0.444 163 V N -0.214 119.705 119.914 0.008 0.000 2.343 163 V HA -0.240 3.880 4.120 0.000 0.000 0.247 163 V C 2.753 178.778 176.094 -0.115 0.000 1.051 163 V CA 2.482 64.748 62.300 -0.058 0.000 1.036 163 V CB -1.273 30.475 31.823 -0.124 0.000 0.654 163 V HN 0.642 nan 8.190 nan 0.000 0.451 164 T N -0.293 114.212 114.554 -0.082 0.000 2.674 164 T HA -0.223 4.127 4.350 0.000 0.000 0.265 164 T C 1.941 176.615 174.700 -0.044 0.000 1.039 164 T CA 1.659 63.714 62.100 -0.074 0.000 1.150 164 T CB -0.229 68.607 68.868 -0.054 0.000 0.864 164 T HN 0.473 nan 8.240 nan 0.000 0.427 165 K N 0.790 121.177 120.400 -0.023 0.000 2.057 165 K HA -0.113 4.207 4.320 0.000 0.000 0.207 165 K C 2.452 179.057 176.600 0.008 0.000 1.049 165 K CA 1.260 57.544 56.287 -0.006 0.000 0.931 165 K CB -0.142 32.359 32.500 0.001 0.000 0.714 165 K HN 0.431 nan 8.250 nan 0.000 0.440 166 E N 1.069 121.281 120.200 0.020 0.000 2.058 166 E HA -0.199 4.151 4.350 0.000 0.000 0.194 166 E C 1.995 178.627 176.600 0.053 0.000 0.997 166 E CA 1.112 57.543 56.400 0.051 0.000 0.801 166 E CB -0.004 29.753 29.700 0.095 0.000 0.746 166 E HN 0.239 nan 8.360 nan 0.000 0.450 167 I N 0.971 121.557 120.570 0.026 0.000 2.179 167 I HA -0.267 3.903 4.170 0.000 0.000 0.242 167 I C 2.214 178.342 176.117 0.019 0.000 1.088 167 I CA 1.397 62.714 61.300 0.028 0.000 1.357 167 I CB -0.266 37.707 38.000 -0.045 0.000 1.051 167 I HN 0.146 nan 8.210 nan 0.000 0.409 168 E N 0.061 120.261 120.200 0.000 0.000 2.204 168 E HA -0.194 4.156 4.350 0.000 0.000 0.195 168 E C 2.057 178.662 176.600 0.009 0.000 0.990 168 E CA 1.877 58.278 56.400 0.000 0.000 0.821 168 E CB -0.121 29.574 29.700 -0.008 0.000 0.750 168 E HN 0.633 nan 8.360 nan 0.000 0.477 169 T N -2.204 112.359 114.554 0.015 0.000 3.039 169 T HA -0.031 4.319 4.350 0.000 0.000 0.250 169 T C 2.109 176.824 174.700 0.023 0.000 1.052 169 T CA 1.054 63.164 62.100 0.017 0.000 1.125 169 T CB 0.011 68.889 68.868 0.017 0.000 0.908 169 T HN 0.181 nan 8.240 nan 0.000 0.473 170 T N -2.406 112.168 114.554 0.034 0.000 3.015 170 T HA 0.510 4.860 4.350 0.000 0.000 0.250 170 T C 1.987 176.711 174.700 0.040 0.000 1.057 170 T CA 0.943 63.066 62.100 0.038 0.000 1.066 170 T CB -0.096 68.801 68.868 0.050 0.000 0.959 170 T HN 0.924 nan 8.240 nan 0.000 0.488 171 G N 0.151 108.978 108.800 0.046 0.000 2.234 171 G HA2 -0.179 3.781 3.960 0.000 0.000 0.235 171 G HA3 -0.179 3.781 3.960 0.000 0.000 0.235 171 G C 0.266 175.211 174.900 0.075 0.000 0.997 171 G CA 0.558 45.686 45.100 0.046 0.000 0.623 171 G HN 1.002 nan 8.290 nan 0.000 0.514 172 T N -1.286 113.331 114.554 0.105 0.000 2.626 172 T HA 0.721 5.071 4.350 0.000 0.000 0.299 172 T C -1.537 173.332 174.700 0.282 0.000 1.181 172 T CA 0.568 62.772 62.100 0.174 0.000 1.053 172 T CB 1.405 70.318 68.868 0.075 0.000 1.566 172 T HN 1.670 nan 8.240 nan 0.000 0.486 173 Y N -0.619 119.693 120.300 0.019 0.000 2.689 173 Y HA 0.776 5.326 4.550 0.000 0.000 0.333 173 Y C -1.670 174.253 175.900 0.039 0.000 1.208 173 Y CA -1.218 56.903 58.100 0.036 0.000 1.055 173 Y CB 0.776 39.269 38.460 0.056 0.000 1.304 173 Y HN 0.439 nan 8.280 nan 0.000 0.455 174 Q N 2.198 122.013 119.800 0.025 0.000 2.312 174 Q HA 0.548 4.888 4.340 0.000 0.000 0.263 174 Q C -0.937 175.068 176.000 0.008 0.000 0.995 174 Q CA -0.805 54.963 55.803 -0.058 0.000 0.853 174 Q CB 3.031 31.782 28.738 0.021 0.000 1.300 174 Q HN 0.848 nan 8.270 nan 0.000 0.448 175 L N 1.210 122.415 121.223 -0.030 0.000 2.421 175 L HA 0.392 4.732 4.340 0.000 0.000 0.263 175 L C 1.084 177.983 176.870 0.048 0.000 1.122 175 L CA -0.519 54.356 54.840 0.058 0.000 0.804 175 L CB 0.848 42.935 42.059 0.047 0.000 1.150 175 L HN 0.686 nan 8.230 nan 0.000 0.457 176 T N -1.494 113.080 114.554 0.034 0.000 2.816 176 T HA 0.169 4.519 4.350 0.000 0.000 0.282 176 T C 0.866 175.563 174.700 -0.006 0.000 0.993 176 T CA -0.720 61.388 62.100 0.013 0.000 0.994 176 T CB 1.107 69.975 68.868 0.000 0.000 1.025 176 T HN 0.452 nan 8.240 nan 0.000 0.529 177 L N 0.659 121.881 121.223 -0.002 0.000 2.012 177 L HA -0.015 4.325 4.340 0.000 0.000 0.210 177 L C 1.957 178.830 176.870 0.005 0.000 1.073 177 L CA 1.990 56.823 54.840 -0.011 0.000 0.748 177 L CB -1.240 40.812 42.059 -0.011 0.000 0.891 177 L HN 0.721 nan 8.230 nan 0.000 0.431 178 D N -0.341 120.073 120.400 0.023 0.000 2.144 178 D HA -0.183 4.457 4.640 0.000 0.000 0.199 178 D C 2.124 178.489 176.300 0.109 0.000 0.984 178 D CA 1.358 55.413 54.000 0.091 0.000 0.834 178 D CB 0.023 40.913 40.800 0.149 0.000 0.955 178 D HN 0.548 nan 8.370 nan 0.000 0.465 179 E N -0.178 119.946 120.200 -0.126 0.000 2.072 179 E HA -0.133 4.217 4.350 0.000 0.000 0.191 179 E C 2.012 178.759 176.600 0.244 0.000 0.985 179 E CA 0.256 56.559 56.400 -0.162 0.000 0.801 179 E CB -0.041 29.524 29.700 -0.225 0.000 0.750 179 E HN 0.114 nan 8.360 nan 0.000 0.452 180 L N 1.226 122.498 121.223 0.082 0.000 2.017 180 L HA -0.157 4.183 4.340 0.000 0.000 0.208 180 L C 2.017 178.897 176.870 0.017 0.000 1.073 180 L CA 1.555 56.386 54.840 -0.015 0.000 0.745 180 L CB -0.285 41.706 42.059 -0.113 0.000 0.894 180 L HN 0.118 nan 8.230 nan 0.000 0.432 181 I N -1.162 119.444 120.570 0.061 0.000 2.163 181 I HA -0.338 3.832 4.170 0.000 0.000 0.243 181 I C 2.406 178.627 176.117 0.172 0.000 1.085 181 I CA 1.859 63.199 61.300 0.067 0.000 1.347 181 I CB -0.466 37.572 38.000 0.063 0.000 1.044 181 I HN 0.351 nan 8.210 nan 0.000 0.408 182 F N 1.756 121.804 119.950 0.163 0.000 2.134 182 F HA -0.223 4.304 4.527 0.000 0.000 0.299 182 F C 2.461 178.410 175.800 0.249 0.000 1.097 182 F CA 1.472 59.628 58.000 0.259 0.000 1.264 182 F CB -0.214 39.041 39.000 0.425 0.000 1.001 182 F HN -0.007 nan 8.300 nan 0.000 0.479 183 A N 0.203 123.157 122.820 0.224 0.000 1.877 183 A HA -0.212 4.108 4.320 0.000 0.000 0.216 183 A C 2.278 179.765 177.584 -0.162 0.000 1.186 183 A CA 2.506 54.535 52.037 -0.014 0.000 0.620 183 A CB -1.678 17.258 19.000 -0.107 0.000 0.822 183 A HN 0.557 nan 8.150 nan 0.000 0.443 184 T N -1.608 112.888 114.554 -0.097 0.000 2.788 184 T HA -0.150 4.201 4.350 0.000 0.000 0.268 184 T C 1.770 176.502 174.700 0.052 0.000 1.044 184 T CA 1.678 63.748 62.100 -0.049 0.000 1.139 184 T CB -0.340 68.518 68.868 -0.016 0.000 0.867 184 T HN 0.555 nan 8.240 nan 0.000 0.454 185 K N 0.127 120.575 120.400 0.081 0.000 2.103 185 K HA 0.145 4.465 4.320 0.000 0.000 0.204 185 K C 2.463 179.161 176.600 0.163 0.000 1.052 185 K CA 0.935 57.373 56.287 0.253 0.000 0.945 185 K CB -0.183 32.475 32.500 0.264 0.000 0.722 185 K HN 0.250 nan 8.250 nan 0.000 0.443 186 M N 0.584 120.095 119.600 -0.148 0.000 2.175 186 M HA -0.044 4.436 4.480 0.000 0.000 0.264 186 M C 2.413 178.554 176.300 -0.265 0.000 1.063 186 M CA 1.277 56.380 55.300 -0.328 0.000 1.119 186 M CB -0.988 31.314 32.600 -0.497 0.000 1.377 186 M HN 0.142 nan 8.290 nan 0.000 0.415 187 A N -0.677 121.960 122.820 -0.304 0.000 1.933 187 A HA -0.211 4.110 4.320 0.000 0.000 0.218 187 A C 2.012 179.438 177.584 -0.264 0.000 1.175 187 A CA 1.460 53.181 52.037 -0.527 0.000 0.628 187 A CB -1.079 17.186 19.000 -1.225 0.000 0.814 187 A HN 0.675 nan 8.150 nan 0.000 0.444 188 W N 0.891 122.087 121.300 -0.173 0.000 2.379 188 W HA -0.090 4.570 4.660 0.000 0.000 0.307 188 W C 2.287 178.723 176.519 -0.139 0.000 1.200 188 W CA 1.413 58.720 57.345 -0.063 0.000 1.297 188 W CB -0.740 28.703 29.460 -0.028 0.000 1.140 188 W HN 0.353 nan 8.180 nan 0.000 0.507 189 R N 0.398 120.812 120.500 -0.143 0.000 2.139 189 R HA -0.184 4.156 4.340 0.000 0.000 0.243 189 R C 1.125 177.256 176.300 -0.281 0.000 1.145 189 R CA 1.799 57.623 56.100 -0.460 0.000 0.976 189 R CB -0.524 29.227 30.300 -0.916 0.000 0.866 189 R HN 0.085 nan 8.270 nan 0.000 0.449 190 N N 0.052 118.628 118.700 -0.206 0.000 2.314 190 N HA 0.064 4.804 4.740 0.000 0.000 0.200 190 N C -0.806 174.635 175.510 -0.114 0.000 1.135 190 N CA 0.387 53.358 53.050 -0.130 0.000 0.835 190 N CB 1.127 39.583 38.487 -0.053 0.000 0.989 190 N HN 0.147 nan 8.380 nan 0.000 0.478 191 A N 1.662 124.403 122.820 -0.132 0.000 2.539 191 A HA 0.349 4.669 4.320 0.000 0.000 0.306 191 A C -1.296 176.232 177.584 -0.094 0.000 1.392 191 A CA -1.140 50.779 52.037 -0.196 0.000 1.060 191 A CB 0.490 19.433 19.000 -0.094 0.000 1.134 191 A HN -0.035 nan 8.150 nan 0.000 0.542 192 P HA -0.167 nan 4.420 nan 0.000 0.217 192 P C 1.053 178.320 177.300 -0.054 0.000 1.148 192 P CA 1.267 64.342 63.100 -0.042 0.000 0.828 192 P CB 0.145 31.846 31.700 0.003 0.000 0.783 193 R N -2.163 118.267 120.500 -0.117 0.000 2.334 193 R HA 0.159 4.499 4.340 0.000 0.000 0.220 193 R C 0.227 176.540 176.300 0.022 0.000 0.917 193 R CA -0.158 55.900 56.100 -0.071 0.000 1.073 193 R CB -0.473 29.592 30.300 -0.392 0.000 1.056 193 R HN 0.195 nan 8.270 nan 0.000 0.506 194 C N 0.737 120.026 119.300 -0.020 0.000 2.285 194 C HA 0.328 4.788 4.460 0.000 0.000 0.335 194 C C 1.696 176.658 174.990 -0.047 0.000 1.267 194 C CA -0.818 58.215 59.018 0.025 0.000 1.762 194 C CB -0.438 27.377 27.740 0.125 0.000 2.365 194 C HN 0.567 nan 8.230 nan 0.000 0.527 195 I N 4.204 124.725 120.570 -0.081 0.000 3.419 195 I HA 0.191 4.361 4.170 0.000 0.000 0.286 195 I C 1.818 177.995 176.117 0.100 0.000 1.268 195 I CA 1.021 62.229 61.300 -0.153 0.000 1.414 195 I CB 0.116 38.026 38.000 -0.149 0.000 1.074 195 I HN 0.911 nan 8.210 nan 0.000 0.457 196 G N 0.027 108.890 108.800 0.106 0.000 3.371 196 G HA2 0.039 3.999 3.960 0.000 0.000 0.248 196 G HA3 0.039 3.999 3.960 0.000 0.000 0.248 196 G C 1.253 176.199 174.900 0.077 0.000 1.161 196 G CA -0.363 44.800 45.100 0.106 0.000 0.796 196 G HN 0.243 nan 8.290 nan 0.000 0.539 197 R N -0.185 120.304 120.500 -0.018 0.000 2.355 197 R HA 0.061 4.401 4.340 0.000 0.000 0.219 197 R C 1.984 177.786 176.300 -0.830 0.000 1.107 197 R CA 0.284 56.082 56.100 -0.503 0.000 1.021 197 R CB -0.186 29.855 30.300 -0.432 0.000 0.852 197 R HN 0.455 nan 8.270 nan 0.000 0.475 198 I N 0.753 121.012 120.570 -0.518 0.000 2.756 198 I HA -0.233 3.937 4.170 0.000 0.000 0.262 198 I C 1.347 177.330 176.117 -0.224 0.000 1.225 198 I CA 1.188 62.320 61.300 -0.279 0.000 1.472 198 I CB 0.161 38.161 38.000 0.000 0.000 1.094 198 I HN 0.189 nan 8.210 nan 0.000 0.454 199 Q N 0.516 120.121 119.800 -0.324 0.000 2.403 199 Q HA -0.098 4.242 4.340 0.000 0.000 0.203 199 Q C 1.612 177.095 176.000 -0.862 0.000 0.932 199 Q CA 0.332 55.934 55.803 -0.334 0.000 0.945 199 Q CB -0.192 28.540 28.738 -0.011 0.000 1.045 199 Q HN 0.779 nan 8.270 nan 0.000 0.511 200 W N 1.252 121.688 121.300 -1.440 0.000 2.296 200 W HA -0.249 4.411 4.660 0.000 0.000 0.296 200 W C 1.137 177.279 176.519 -0.628 0.000 1.220 200 W CA 1.615 57.940 57.345 -1.700 0.000 1.223 200 W CB -1.214 27.545 29.460 -1.167 0.000 1.139 200 W HN 0.179 nan 8.180 nan 0.000 0.534 201 S N 0.049 114.980 115.700 -1.281 0.000 2.548 201 S HA 0.005 4.475 4.470 0.000 0.000 0.215 201 S C 0.567 174.936 174.600 -0.384 0.000 0.976 201 S CA 0.204 57.821 58.200 -0.972 0.000 0.908 201 S CB -0.588 61.832 63.200 -1.300 0.000 0.781 201 S HN 0.178 nan 8.310 nan 0.000 0.519 202 N N 1.447 120.009 118.700 -0.230 0.000 2.918 202 N HA 0.464 5.204 4.740 0.000 0.000 0.247 202 N C -1.355 174.252 175.510 0.162 0.000 1.117 202 N CA -0.501 52.537 53.050 -0.021 0.000 1.005 202 N CB 0.320 38.816 38.487 0.015 0.000 1.297 202 N HN 0.397 nan 8.380 nan 0.000 0.513 203 L N 1.861 123.143 121.223 0.100 0.000 2.476 203 L HA 0.460 4.800 4.340 0.000 0.000 0.269 203 L C -0.917 175.910 176.870 -0.072 0.000 0.965 203 L CA -0.677 54.212 54.840 0.082 0.000 0.845 203 L CB 1.865 44.026 42.059 0.169 0.000 1.259 203 L HN 0.318 nan 8.230 nan 0.000 0.403 204 Q N 3.044 122.750 119.800 -0.157 0.000 2.286 204 Q HA 0.579 4.919 4.340 0.000 0.000 0.257 204 Q C -1.599 174.027 176.000 -0.623 0.000 0.941 204 Q CA -0.050 55.494 55.803 -0.432 0.000 0.912 204 Q CB 1.371 29.744 28.738 -0.609 0.000 1.192 204 Q HN 0.520 nan 8.270 nan 0.000 0.410 205 V N 5.720 125.254 119.914 -0.633 0.000 2.417 205 V HA 0.459 4.579 4.120 0.000 0.000 0.291 205 V C -0.903 174.798 176.094 -0.655 0.000 1.024 205 V CA -0.606 61.375 62.300 -0.531 0.000 0.861 205 V CB 0.849 32.507 31.823 -0.276 0.000 0.985 205 V HN 0.656 nan 8.190 nan 0.000 0.436 206 F N 2.513 122.300 119.950 -0.272 0.000 2.361 206 F HA 0.401 4.928 4.527 0.000 0.000 0.364 206 F C 0.348 175.969 175.800 -0.298 0.000 1.117 206 F CA -1.186 56.651 58.000 -0.272 0.000 1.071 206 F CB 1.210 40.042 39.000 -0.281 0.000 1.188 206 F HN 0.427 nan 8.300 nan 0.000 0.464 207 D N 3.202 123.556 120.400 -0.077 0.000 2.393 207 D HA 0.401 5.041 4.640 0.000 0.000 0.232 207 D C 0.148 176.308 176.300 -0.233 0.000 1.192 207 D CA 0.121 54.026 54.000 -0.158 0.000 0.882 207 D CB 1.099 41.839 40.800 -0.099 0.000 1.038 207 D HN 0.605 nan 8.370 nan 0.000 0.499 208 A N 4.579 127.144 122.820 -0.425 0.000 2.637 208 A HA 0.163 4.484 4.320 0.000 0.000 0.293 208 A C 1.650 179.049 177.584 -0.308 0.000 1.216 208 A CA -0.396 51.273 52.037 -0.613 0.000 0.956 208 A CB 0.024 18.263 19.000 -1.269 0.000 1.174 208 A HN 0.532 nan 8.150 nan 0.000 0.525 209 R N 1.042 121.432 120.500 -0.182 0.000 2.285 209 R HA -0.092 4.248 4.340 0.000 0.000 0.213 209 R C 1.046 177.309 176.300 -0.062 0.000 1.068 209 R CA 1.231 57.279 56.100 -0.086 0.000 1.004 209 R CB 0.008 30.300 30.300 -0.014 0.000 0.873 209 R HN 0.734 nan 8.270 nan 0.000 0.467 210 N N -0.146 118.533 118.700 -0.035 0.000 2.268 210 N HA -0.046 4.694 4.740 0.000 0.000 0.204 210 N C 0.078 175.629 175.510 0.069 0.000 1.124 210 N CA -0.201 52.862 53.050 0.022 0.000 0.838 210 N CB -0.286 38.225 38.487 0.040 0.000 0.994 210 N HN -0.001 nan 8.380 nan 0.000 0.489 211 C N 1.522 120.852 119.300 0.051 0.000 2.676 211 C HA 0.401 4.861 4.460 0.000 0.000 0.416 211 C C 1.825 176.963 174.990 0.247 0.000 1.299 211 C CA 0.406 59.531 59.018 0.177 0.000 2.048 211 C CB 0.086 27.972 27.740 0.244 0.000 2.713 211 C HN 0.638 nan 8.230 nan 0.000 0.624 212 S N 1.771 117.672 115.700 0.336 0.000 2.691 212 S HA 0.199 4.669 4.470 0.000 0.000 0.258 212 S C 0.303 175.080 174.600 0.296 0.000 1.078 212 S CA 0.444 58.872 58.200 0.381 0.000 1.000 212 S CB -0.186 63.149 63.200 0.226 0.000 0.942 212 S HN 1.005 nan 8.310 nan 0.000 0.521 213 T N -1.229 113.467 114.554 0.236 0.000 2.942 213 T HA 0.847 5.197 4.350 0.000 0.000 0.289 213 T C 1.237 176.010 174.700 0.121 0.000 1.044 213 T CA -0.206 61.977 62.100 0.139 0.000 1.023 213 T CB 1.508 70.446 68.868 0.116 0.000 1.123 213 T HN 0.253 nan 8.240 nan 0.000 0.512 214 A N 0.537 123.399 122.820 0.070 0.000 1.933 214 A HA -0.074 4.246 4.320 0.000 0.000 0.218 214 A C 2.302 179.839 177.584 -0.078 0.000 1.175 214 A CA 2.036 54.097 52.037 0.041 0.000 0.628 214 A CB -1.185 17.929 19.000 0.190 0.000 0.814 214 A HN 0.897 nan 8.150 nan 0.000 0.444 215 Q N 0.398 120.231 119.800 0.056 0.000 2.124 215 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 215 Q C 1.709 177.722 176.000 0.023 0.000 0.977 215 Q CA 2.345 58.162 55.803 0.024 0.000 0.850 215 Q CB -0.408 28.423 28.738 0.155 0.000 0.901 215 Q HN 0.758 nan 8.270 nan 0.000 0.429 216 E N -0.574 119.672 120.200 0.076 0.000 2.107 216 E HA -0.133 4.217 4.350 0.000 0.000 0.191 216 E C 2.060 178.784 176.600 0.205 0.000 0.982 216 E CA 1.211 57.680 56.400 0.115 0.000 0.809 216 E CB -0.142 29.679 29.700 0.202 0.000 0.756 216 E HN 0.447 nan 8.360 nan 0.000 0.459 217 M N 0.154 119.862 119.600 0.180 0.000 2.065 217 M HA -0.173 4.307 4.480 0.000 0.000 0.259 217 M C 2.252 178.629 176.300 0.130 0.000 1.069 217 M CA 1.383 56.780 55.300 0.162 0.000 1.110 217 M CB -0.359 32.129 32.600 -0.186 0.000 1.328 217 M HN 0.122 nan 8.290 nan 0.000 0.405 218 F N 1.421 121.195 119.950 -0.294 0.000 2.120 218 F HA -0.299 4.228 4.527 0.000 0.000 0.300 218 F C 2.284 177.981 175.800 -0.172 0.000 1.095 218 F CA 1.960 59.724 58.000 -0.393 0.000 1.249 218 F CB -0.546 37.894 39.000 -0.934 0.000 0.995 218 F HN 0.187 nan 8.300 nan 0.000 0.480 219 Q N -1.163 118.475 119.800 -0.271 0.000 2.079 219 Q HA -0.203 4.138 4.340 0.000 0.000 0.200 219 Q C 2.227 178.046 176.000 -0.302 0.000 0.974 219 Q CA 1.553 57.136 55.803 -0.367 0.000 0.840 219 Q CB -0.432 28.151 28.738 -0.258 0.000 0.898 219 Q HN 0.532 nan 8.270 nan 0.000 0.430 220 H N 0.211 119.233 119.070 -0.079 0.000 2.357 220 H HA -0.053 4.503 4.556 0.000 0.000 0.301 220 H C 2.117 177.391 175.328 -0.091 0.000 1.082 220 H CA 1.160 57.162 56.048 -0.077 0.000 1.342 220 H CB 0.026 29.825 29.762 0.062 0.000 1.389 220 H HN 0.255 nan 8.280 nan 0.000 0.511 221 I N -0.129 120.508 120.570 0.112 0.000 2.252 221 I HA -0.273 3.898 4.170 0.000 0.000 0.245 221 I C 2.626 178.684 176.117 -0.097 0.000 1.102 221 I CA 0.690 62.012 61.300 0.038 0.000 1.385 221 I CB -0.235 37.801 38.000 0.059 0.000 1.064 221 I HN 0.211 nan 8.210 nan 0.000 0.414 222 C N 0.348 119.492 119.300 -0.259 0.000 2.429 222 C HA -0.135 4.325 4.460 0.000 0.000 0.277 222 C C 2.965 177.854 174.990 -0.169 0.000 1.262 222 C CA 0.578 59.427 59.018 -0.281 0.000 1.733 222 C CB -1.093 26.351 27.740 -0.494 0.000 2.010 222 C HN 0.456 nan 8.230 nan 0.000 0.483 223 R N 0.539 120.919 120.500 -0.200 0.000 2.083 223 R HA -0.153 4.187 4.340 0.000 0.000 0.237 223 R C 2.047 178.239 176.300 -0.181 0.000 1.137 223 R CA 2.081 58.047 56.100 -0.222 0.000 0.951 223 R CB -1.157 28.940 30.300 -0.339 0.000 0.851 223 R HN 0.795 nan 8.270 nan 0.000 0.434 224 H N -0.284 118.610 119.070 -0.294 0.000 2.293 224 H HA -0.048 4.508 4.556 0.000 0.000 0.300 224 H C 2.308 177.678 175.328 0.069 0.000 1.082 224 H CA 2.102 58.080 56.048 -0.117 0.000 1.308 224 H CB -0.083 29.660 29.762 -0.032 0.000 1.375 224 H HN 0.160 nan 8.280 nan 0.000 0.495 225 I N 0.166 120.854 120.570 0.196 0.000 2.163 225 I HA -0.275 3.895 4.170 0.000 0.000 0.243 225 I C 2.486 178.678 176.117 0.124 0.000 1.085 225 I CA 0.934 62.306 61.300 0.120 0.000 1.347 225 I CB -0.225 37.775 38.000 0.000 0.000 1.044 225 I HN 0.341 nan 8.210 nan 0.000 0.408 226 L N 0.314 121.583 121.223 0.078 0.000 1.994 226 L HA -0.277 4.063 4.340 0.000 0.000 0.208 226 L C 2.518 179.450 176.870 0.103 0.000 1.071 226 L CA 1.941 56.818 54.840 0.061 0.000 0.745 226 L CB -1.054 41.017 42.059 0.021 0.000 0.892 226 L HN 0.267 nan 8.230 nan 0.000 0.431 227 Y N 0.252 120.586 120.300 0.057 0.000 2.128 227 Y HA -0.251 4.299 4.550 0.000 0.000 0.284 227 Y C 2.348 178.330 175.900 0.138 0.000 1.154 227 Y CA 2.224 60.392 58.100 0.114 0.000 1.149 227 Y CB -0.620 37.970 38.460 0.217 0.000 0.976 227 Y HN 0.255 nan 8.280 nan 0.000 0.505 228 A N -0.770 122.176 122.820 0.210 0.000 1.930 228 A HA -0.139 4.181 4.320 0.000 0.000 0.217 228 A C 2.202 179.818 177.584 0.054 0.000 1.175 228 A CA 2.109 54.231 52.037 0.142 0.000 0.627 228 A CB -1.266 17.947 19.000 0.355 0.000 0.815 228 A HN 0.528 nan 8.150 nan 0.000 0.443 229 T N -0.087 114.509 114.554 0.069 0.000 2.737 229 T HA -0.120 4.230 4.350 0.000 0.000 0.265 229 T C 1.147 175.846 174.700 -0.002 0.000 1.038 229 T CA 1.301 63.434 62.100 0.055 0.000 1.144 229 T CB -0.439 68.463 68.868 0.057 0.000 0.866 229 T HN 0.672 nan 8.240 nan 0.000 0.434 230 N N 1.500 120.172 118.700 -0.047 0.000 2.708 230 N HA -0.272 4.468 4.740 0.000 0.000 0.251 230 N C -0.044 175.439 175.510 -0.044 0.000 1.017 230 N CA 1.010 54.013 53.050 -0.079 0.000 0.742 230 N CB -1.950 36.441 38.487 -0.161 0.000 0.943 230 N HN 0.460 nan 8.380 nan 0.000 0.539 231 N N -1.548 117.139 118.700 -0.021 0.000 2.735 231 N HA -0.201 4.539 4.740 0.000 0.000 0.248 231 N C 0.989 176.485 175.510 -0.023 0.000 1.083 231 N CA 2.469 55.508 53.050 -0.019 0.000 0.703 231 N CB -1.224 37.249 38.487 -0.022 0.000 1.005 231 N HN 1.297 nan 8.380 nan 0.000 0.550 232 G N -1.024 107.770 108.800 -0.011 0.000 2.284 232 G HA2 -0.315 3.645 3.960 0.000 0.000 0.216 232 G HA3 -0.315 3.645 3.960 0.000 0.000 0.216 232 G C 0.035 174.927 174.900 -0.013 0.000 1.009 232 G CA 0.139 45.233 45.100 -0.009 0.000 0.625 232 G HN 0.696 nan 8.290 nan 0.000 0.501 233 N N 2.180 120.858 118.700 -0.037 0.000 3.034 233 N HA 0.351 5.091 4.740 0.000 0.000 0.265 233 N C 0.782 176.263 175.510 -0.049 0.000 1.166 233 N CA -0.568 52.443 53.050 -0.066 0.000 1.081 233 N CB -0.389 38.054 38.487 -0.074 0.000 1.378 233 N HN 0.324 nan 8.380 nan 0.000 0.520 234 I N 1.905 122.475 120.570 0.001 0.000 2.826 234 I HA -0.072 4.098 4.170 0.000 0.000 0.295 234 I C 0.826 177.046 176.117 0.171 0.000 1.213 234 I CA 0.710 62.078 61.300 0.114 0.000 1.436 234 I CB -0.258 37.903 38.000 0.270 0.000 1.348 234 I HN 0.307 nan 8.210 nan 0.000 0.570 235 R N 3.891 124.473 120.500 0.137 0.000 2.534 235 R HA 0.412 4.752 4.340 0.000 0.000 0.301 235 R C -0.429 176.006 176.300 0.226 0.000 0.961 235 R CA -0.659 55.535 56.100 0.156 0.000 0.871 235 R CB 1.957 32.180 30.300 -0.127 0.000 1.170 235 R HN 0.550 nan 8.270 nan 0.000 0.446 236 S N 1.383 117.218 115.700 0.226 0.000 2.548 236 S HA 0.571 5.041 4.470 0.000 0.000 0.277 236 S C -0.342 174.299 174.600 0.069 0.000 1.315 236 S CA -0.319 57.919 58.200 0.063 0.000 1.050 236 S CB 1.380 64.520 63.200 -0.100 0.000 0.918 236 S HN 0.710 nan 8.310 nan 0.000 0.497 237 A N 2.551 125.376 122.820 0.007 0.000 2.610 237 A HA 0.836 5.157 4.320 0.000 0.000 0.291 237 A C -1.397 176.127 177.584 -0.100 0.000 1.086 237 A CA -0.663 51.284 52.037 -0.150 0.000 0.677 237 A CB 1.137 20.001 19.000 -0.227 0.000 1.278 237 A HN 0.796 nan 8.150 nan 0.000 0.414 238 I N 0.141 120.607 120.570 -0.174 0.000 2.722 238 I HA 0.637 4.807 4.170 0.000 0.000 0.295 238 I C -1.251 174.885 176.117 0.033 0.000 1.161 238 I CA -0.175 61.172 61.300 0.079 0.000 1.032 238 I CB 2.454 40.469 38.000 0.025 0.000 1.244 238 I HN 0.601 nan 8.210 nan 0.000 0.421 239 T N 6.187 120.836 114.554 0.158 0.000 2.791 239 T HA 0.422 4.772 4.350 0.000 0.000 0.288 239 T C -0.690 173.829 174.700 -0.302 0.000 0.999 239 T CA -0.345 61.721 62.100 -0.056 0.000 0.952 239 T CB 1.412 70.260 68.868 -0.034 0.000 0.938 239 T HN 0.260 nan 8.240 nan 0.000 0.444 240 V N 5.215 124.904 119.914 -0.375 0.000 2.364 240 V HA 0.454 4.574 4.120 0.000 0.000 0.272 240 V C -0.255 175.578 176.094 -0.435 0.000 1.036 240 V CA -0.667 61.423 62.300 -0.351 0.000 0.880 240 V CB -0.123 31.465 31.823 -0.391 0.000 0.991 240 V HN 0.750 nan 8.190 nan 0.000 0.460 241 F N 5.019 124.933 119.950 -0.060 0.000 2.375 241 F HA 0.484 5.011 4.527 0.000 0.000 0.317 241 F C -1.799 173.925 175.800 -0.127 0.000 1.124 241 F CA -2.512 55.372 58.000 -0.194 0.000 1.050 241 F CB 0.602 39.470 39.000 -0.219 0.000 1.314 241 F HN 0.303 nan 8.300 nan 0.000 0.511 242 P HA -0.055 nan 4.420 nan 0.000 0.261 242 P C -1.134 176.144 177.300 -0.036 0.000 1.173 242 P CA 0.042 63.043 63.100 -0.164 0.000 0.760 242 P CB 0.186 31.640 31.700 -0.410 0.000 0.783 243 Q N 3.247 122.941 119.800 -0.177 0.000 2.454 243 Q HA 0.102 4.442 4.340 0.000 0.000 0.247 243 Q C 0.192 176.028 176.000 -0.272 0.000 1.028 243 Q CA -0.558 54.849 55.803 -0.661 0.000 0.910 243 Q CB 0.716 28.765 28.738 -1.149 0.000 1.276 243 Q HN 0.341 nan 8.270 nan 0.000 0.489 244 R N 0.923 121.272 120.500 -0.252 0.000 2.537 244 R HA 0.009 4.350 4.340 0.000 0.000 0.280 244 R C 0.120 176.372 176.300 -0.079 0.000 1.058 244 R CA 0.762 56.816 56.100 -0.077 0.000 1.057 244 R CB 0.574 30.837 30.300 -0.062 0.000 0.973 244 R HN 0.955 nan 8.270 nan 0.000 0.438 245 S N 2.160 117.859 115.700 -0.001 0.000 2.860 245 S HA -0.033 4.438 4.470 0.000 0.000 0.181 245 S C 0.842 175.452 174.600 0.018 0.000 0.763 245 S CA 0.208 58.403 58.200 -0.008 0.000 0.829 245 S CB -0.072 63.123 63.200 -0.009 0.000 0.793 245 S HN 0.824 nan 8.310 nan 0.000 0.614 246 D N 0.302 120.740 120.400 0.064 0.000 2.369 246 D HA 0.275 4.915 4.640 0.000 0.000 0.211 246 D C 1.405 177.753 176.300 0.080 0.000 1.077 246 D CA 0.766 54.810 54.000 0.074 0.000 0.842 246 D CB -0.049 40.812 40.800 0.103 0.000 0.947 246 D HN 0.873 nan 8.370 nan 0.000 0.509 247 G N 1.250 110.101 108.800 0.085 0.000 2.179 247 G HA2 -0.350 3.610 3.960 0.000 0.000 0.260 247 G HA3 -0.350 3.610 3.960 0.000 0.000 0.260 247 G C 0.997 175.924 174.900 0.044 0.000 0.977 247 G CA 0.475 45.606 45.100 0.052 0.000 0.641 247 G HN 0.463 nan 8.290 nan 0.000 0.533 248 K N -0.515 119.934 120.400 0.082 0.000 2.358 248 K HA 0.275 4.595 4.320 0.000 0.000 0.197 248 K C 0.582 176.994 176.600 -0.314 0.000 1.025 248 K CA 0.345 56.582 56.287 -0.083 0.000 1.104 248 K CB 0.358 32.798 32.500 -0.099 0.000 0.855 248 K HN 0.513 nan 8.250 nan 0.000 0.531 249 H N 0.284 119.364 119.070 0.016 0.000 2.549 249 H HA 0.189 4.745 4.556 0.000 0.000 0.253 249 H C -0.996 174.355 175.328 0.038 0.000 1.170 249 H CA -0.843 55.211 56.048 0.010 0.000 0.943 249 H CB 0.133 29.918 29.762 0.038 0.000 1.849 249 H HN -0.013 nan 8.280 nan 0.000 0.603 250 D N 0.430 120.891 120.400 0.102 0.000 2.443 250 D HA 0.010 4.650 4.640 0.000 0.000 0.239 250 D C -0.015 176.347 176.300 0.103 0.000 1.136 250 D CA 0.478 54.566 54.000 0.147 0.000 0.879 250 D CB 0.561 41.417 40.800 0.094 0.000 1.195 250 D HN 0.107 nan 8.370 nan 0.000 0.443 251 F N 2.022 122.004 119.950 0.053 0.000 2.404 251 F HA 0.432 4.959 4.527 0.000 0.000 0.339 251 F C 0.906 176.726 175.800 0.033 0.000 1.105 251 F CA -0.274 57.732 58.000 0.010 0.000 1.087 251 F CB 0.952 39.941 39.000 -0.017 0.000 1.143 251 F HN -0.124 nan 8.300 nan 0.000 0.491 252 R N 3.039 123.634 120.500 0.158 0.000 2.604 252 R HA 0.498 4.839 4.340 0.000 0.000 0.270 252 R C -1.925 174.512 176.300 0.228 0.000 1.052 252 R CA -1.073 55.139 56.100 0.186 0.000 0.902 252 R CB 2.094 32.512 30.300 0.197 0.000 1.233 252 R HN 0.477 nan 8.270 nan 0.000 0.455 253 L N 1.498 122.847 121.223 0.209 0.000 2.296 253 L HA 0.399 4.739 4.340 0.000 0.000 0.286 253 L C 0.606 177.691 176.870 0.359 0.000 1.023 253 L CA -0.141 54.835 54.840 0.226 0.000 0.812 253 L CB 0.918 43.044 42.059 0.112 0.000 1.223 253 L HN 0.580 nan 8.230 nan 0.000 0.421 254 W N 0.666 122.031 121.300 0.108 0.000 2.905 254 W HA 0.075 4.735 4.660 0.000 0.000 0.251 254 W C 0.615 177.211 176.519 0.127 0.000 1.305 254 W CA -0.501 56.993 57.345 0.248 0.000 1.465 254 W CB -0.887 28.836 29.460 0.439 0.000 1.122 254 W HN 0.495 nan 8.180 nan 0.000 0.659 255 N N -0.752 118.051 118.700 0.171 0.000 2.424 255 N HA 0.071 4.811 4.740 0.000 0.000 0.257 255 N C 1.106 176.476 175.510 -0.234 0.000 1.250 255 N CA 0.393 53.288 53.050 -0.258 0.000 0.946 255 N CB 0.711 39.155 38.487 -0.071 0.000 1.175 255 N HN -0.314 nan 8.380 nan 0.000 0.477 256 S N -0.302 115.209 115.700 -0.314 0.000 2.427 256 S HA 0.069 4.540 4.470 0.000 0.000 0.224 256 S C 0.028 174.542 174.600 -0.143 0.000 1.047 256 S CA 0.736 58.832 58.200 -0.174 0.000 0.953 256 S CB 0.105 63.222 63.200 -0.137 0.000 0.824 256 S HN 0.526 nan 8.310 nan 0.000 0.502 257 Q N -0.444 119.269 119.800 -0.146 0.000 2.413 257 Q HA 0.522 4.862 4.340 0.000 0.000 0.276 257 Q C 0.560 176.465 176.000 -0.159 0.000 1.099 257 Q CA -0.345 55.377 55.803 -0.135 0.000 0.814 257 Q CB 1.385 30.092 28.738 -0.051 0.000 1.379 257 Q HN 0.021 nan 8.270 nan 0.000 0.436 258 L N 0.387 121.504 121.223 -0.176 0.000 2.017 258 L HA -0.008 4.332 4.340 0.000 0.000 0.208 258 L C 0.364 177.105 176.870 -0.215 0.000 1.073 258 L CA 1.068 55.807 54.840 -0.168 0.000 0.745 258 L CB -0.012 41.933 42.059 -0.190 0.000 0.894 258 L HN 0.527 nan 8.230 nan 0.000 0.432 259 I N -0.047 120.327 120.570 -0.328 0.000 2.378 259 I HA 0.448 4.618 4.170 0.000 0.000 0.291 259 I C -0.245 175.337 176.117 -0.892 0.000 0.992 259 I CA -0.254 60.656 61.300 -0.651 0.000 1.154 259 I CB 1.383 38.850 38.000 -0.889 0.000 1.315 259 I HN 0.092 nan 8.210 nan 0.000 0.448 260 R N 4.591 124.643 120.500 -0.748 0.000 2.664 260 R HA 0.507 4.848 4.340 0.000 0.000 0.266 260 R C -2.001 174.114 176.300 -0.309 0.000 1.046 260 R CA -0.653 55.175 56.100 -0.455 0.000 0.885 260 R CB 1.202 31.427 30.300 -0.126 0.000 1.254 260 R HN 0.277 nan 8.270 nan 0.000 0.465 261 Y N 1.091 121.421 120.300 0.050 0.000 2.352 261 Y HA 0.693 5.243 4.550 0.000 0.000 0.326 261 Y C 0.796 176.729 175.900 0.056 0.000 1.166 261 Y CA -0.462 57.696 58.100 0.097 0.000 1.182 261 Y CB 1.624 40.243 38.460 0.266 0.000 1.216 261 Y HN 0.755 nan 8.280 nan 0.000 0.474 262 A N 1.230 124.150 122.820 0.166 0.000 2.313 262 A HA 0.682 5.002 4.320 0.000 0.000 0.261 262 A C 0.407 177.853 177.584 -0.229 0.000 1.090 262 A CA 0.234 52.194 52.037 -0.128 0.000 0.807 262 A CB -0.120 18.720 19.000 -0.267 0.000 1.055 262 A HN 0.909 nan 8.150 nan 0.000 0.492 263 G N -0.529 108.031 108.800 -0.401 0.000 2.643 263 G HA2 0.599 4.559 3.960 0.000 0.000 0.305 263 G HA3 0.599 4.559 3.960 0.000 0.000 0.305 263 G C -1.440 173.233 174.900 -0.378 0.000 1.387 263 G CA -0.302 44.631 45.100 -0.279 0.000 0.982 263 G HN 0.539 nan 8.290 nan 0.000 0.501 264 Y N -0.163 120.167 120.300 0.049 0.000 2.477 264 Y HA 0.521 5.071 4.550 0.000 0.000 0.347 264 Y C 0.209 176.154 175.900 0.074 0.000 0.981 264 Y CA -1.015 57.133 58.100 0.080 0.000 1.033 264 Y CB 2.609 41.154 38.460 0.142 0.000 1.245 264 Y HN 0.499 nan 8.280 nan 0.000 0.455 265 Q N 3.625 123.567 119.800 0.237 0.000 2.390 265 Q HA 0.379 4.719 4.340 0.000 0.000 0.249 265 Q C -0.806 175.280 176.000 0.143 0.000 0.996 265 Q CA -0.764 55.124 55.803 0.142 0.000 0.899 265 Q CB 0.576 29.370 28.738 0.093 0.000 1.216 265 Q HN 0.565 nan 8.270 nan 0.000 0.465 266 M N 4.335 123.998 119.600 0.104 0.000 2.198 266 M HA 0.143 4.623 4.480 0.000 0.000 0.315 266 M C -1.622 174.679 176.300 0.001 0.000 1.134 266 M CA -2.207 53.117 55.300 0.040 0.000 1.171 266 M CB -0.517 32.089 32.600 0.010 0.000 1.413 266 M HN 0.445 nan 8.290 nan 0.000 0.467 267 P HA -0.173 nan 4.420 nan 0.000 0.216 267 P C 0.344 177.625 177.300 -0.031 0.000 1.150 267 P CA 1.425 64.496 63.100 -0.048 0.000 0.837 267 P CB -0.083 31.566 31.700 -0.086 0.000 0.786 268 D N -2.209 118.172 120.400 -0.031 0.000 2.378 268 D HA 0.052 4.692 4.640 0.000 0.000 0.227 268 D C 1.453 177.748 176.300 -0.008 0.000 1.012 268 D CA 0.915 54.902 54.000 -0.021 0.000 0.905 268 D CB -0.971 39.815 40.800 -0.023 0.000 0.895 268 D HN 0.249 nan 8.370 nan 0.000 0.532 269 G N -0.258 108.542 108.800 0.000 0.000 2.241 269 G HA2 -0.304 3.656 3.960 0.000 0.000 0.244 269 G HA3 -0.304 3.656 3.960 0.000 0.000 0.244 269 G C 0.630 175.541 174.900 0.018 0.000 0.998 269 G CA 0.497 45.603 45.100 0.011 0.000 0.621 269 G HN 0.827 nan 8.290 nan 0.000 0.519 270 T N -0.059 114.505 114.554 0.016 0.000 2.813 270 T HA 0.634 4.984 4.350 0.000 0.000 0.297 270 T C 0.457 175.179 174.700 0.036 0.000 1.036 270 T CA -0.412 61.700 62.100 0.020 0.000 1.044 270 T CB 1.545 70.421 68.868 0.013 0.000 0.993 270 T HN 0.415 nan 8.240 nan 0.000 0.535 271 I N 1.641 122.229 120.570 0.030 0.000 2.359 271 I HA 0.445 4.615 4.170 0.000 0.000 0.294 271 I C 0.498 176.633 176.117 0.030 0.000 0.987 271 I CA -0.574 60.748 61.300 0.038 0.000 1.225 271 I CB 1.285 39.291 38.000 0.010 0.000 1.366 271 I HN 0.799 nan 8.210 nan 0.000 0.466 272 R N 3.621 124.170 120.500 0.082 0.000 2.562 272 R HA 0.643 4.983 4.340 0.000 0.000 0.298 272 R C 0.246 176.581 176.300 0.059 0.000 0.961 272 R CA 0.207 56.352 56.100 0.076 0.000 0.881 272 R CB 1.647 32.034 30.300 0.145 0.000 1.159 272 R HN 0.908 nan 8.270 nan 0.000 0.450 273 G N 2.711 111.454 108.800 -0.094 0.000 2.484 273 G HA2 -0.262 3.698 3.960 0.000 0.000 0.225 273 G HA3 -0.262 3.698 3.960 0.000 0.000 0.225 273 G C -1.089 173.515 174.900 -0.493 0.000 1.250 273 G CA -0.032 44.962 45.100 -0.176 0.000 0.926 273 G HN 0.648 nan 8.290 nan 0.000 0.581 274 D N 1.883 122.145 120.400 -0.229 0.000 2.435 274 D HA 0.548 5.188 4.640 0.000 0.000 0.230 274 D C 1.663 177.908 176.300 -0.092 0.000 1.215 274 D CA 0.900 54.790 54.000 -0.183 0.000 0.947 274 D CB 0.518 41.512 40.800 0.323 0.000 1.048 274 D HN 0.947 nan 8.370 nan 0.000 0.512 275 A N 3.723 126.455 122.820 -0.147 0.000 2.042 275 A HA -0.208 4.112 4.320 0.000 0.000 0.222 275 A C 2.055 179.643 177.584 0.007 0.000 1.167 275 A CA 1.917 53.923 52.037 -0.053 0.000 0.649 275 A CB -0.279 18.695 19.000 -0.043 0.000 0.809 275 A HN 0.597 nan 8.150 nan 0.000 0.457 276 A N -0.741 122.106 122.820 0.045 0.000 2.168 276 A HA 0.087 4.407 4.320 0.000 0.000 0.215 276 A C 1.928 179.559 177.584 0.079 0.000 1.152 276 A CA 1.835 53.918 52.037 0.075 0.000 0.716 276 A CB -0.770 18.298 19.000 0.113 0.000 0.794 276 A HN 0.850 nan 8.150 nan 0.000 0.465 277 T N -3.361 111.236 114.554 0.070 0.000 3.174 277 T HA 0.383 4.733 4.350 0.000 0.000 0.269 277 T C 1.336 176.053 174.700 0.029 0.000 1.017 277 T CA -0.055 62.093 62.100 0.080 0.000 0.899 277 T CB -0.385 68.548 68.868 0.108 0.000 1.077 277 T HN 0.209 nan 8.240 nan 0.000 0.552 278 L N 0.893 122.118 121.223 0.003 0.000 1.997 278 L HA -0.171 4.169 4.340 0.000 0.000 0.216 278 L C 2.858 179.714 176.870 -0.024 0.000 1.074 278 L CA 2.074 56.903 54.840 -0.019 0.000 0.763 278 L CB -0.453 41.608 42.059 0.004 0.000 0.890 278 L HN 0.399 nan 8.230 nan 0.000 0.434 279 E N -0.787 119.407 120.200 -0.010 0.000 2.028 279 E HA -0.251 4.099 4.350 0.000 0.000 0.191 279 E C 2.028 178.562 176.600 -0.110 0.000 0.988 279 E CA 1.380 57.748 56.400 -0.054 0.000 0.799 279 E CB -0.241 29.430 29.700 -0.049 0.000 0.755 279 E HN 0.345 nan 8.360 nan 0.000 0.447 280 F N 1.787 121.603 119.950 -0.224 0.000 2.216 280 F HA -0.179 4.348 4.527 0.000 0.000 0.300 280 F C 2.226 177.911 175.800 -0.191 0.000 1.085 280 F CA 1.423 59.259 58.000 -0.274 0.000 1.326 280 F CB -0.295 38.583 39.000 -0.204 0.000 1.027 280 F HN -0.110 nan 8.300 nan 0.000 0.497 281 T N -0.354 114.094 114.554 -0.176 0.000 2.777 281 T HA -0.235 4.115 4.350 0.000 0.000 0.266 281 T C 1.759 176.353 174.700 -0.177 0.000 1.040 281 T CA 1.562 63.515 62.100 -0.245 0.000 1.141 281 T CB -0.292 68.443 68.868 -0.221 0.000 0.868 281 T HN 0.237 nan 8.240 nan 0.000 0.444 282 Q N 0.834 120.556 119.800 -0.130 0.000 2.084 282 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 282 Q C 2.109 178.031 176.000 -0.130 0.000 0.978 282 Q CA 1.180 56.938 55.803 -0.075 0.000 0.844 282 Q CB -0.754 27.951 28.738 -0.055 0.000 0.898 282 Q HN 0.423 nan 8.270 nan 0.000 0.426 283 L N -0.326 120.750 121.223 -0.246 0.000 2.042 283 L HA -0.172 4.168 4.340 0.000 0.000 0.210 283 L C 2.099 178.815 176.870 -0.257 0.000 1.076 283 L CA 1.841 56.527 54.840 -0.256 0.000 0.749 283 L CB -1.031 40.809 42.059 -0.364 0.000 0.893 283 L HN 0.393 nan 8.230 nan 0.000 0.432 284 C N -0.421 118.636 119.300 -0.404 0.000 2.429 284 C HA -0.132 4.328 4.460 0.000 0.000 0.277 284 C C 2.737 177.740 174.990 0.021 0.000 1.262 284 C CA 0.910 59.755 59.018 -0.289 0.000 1.733 284 C CB -0.928 26.519 27.740 -0.488 0.000 2.010 284 C HN 0.593 nan 8.230 nan 0.000 0.483 285 I N 1.062 121.686 120.570 0.090 0.000 2.226 285 I HA -0.180 3.990 4.170 0.000 0.000 0.245 285 I C 1.973 178.098 176.117 0.014 0.000 1.100 285 I CA 1.515 62.881 61.300 0.110 0.000 1.374 285 I CB -0.609 37.444 38.000 0.089 0.000 1.057 285 I HN 0.304 nan 8.210 nan 0.000 0.413 286 D N 0.816 121.198 120.400 -0.029 0.000 2.263 286 D HA -0.084 4.556 4.640 0.000 0.000 0.208 286 D C 1.967 178.229 176.300 -0.064 0.000 0.971 286 D CA 1.096 55.063 54.000 -0.055 0.000 0.867 286 D CB -0.061 40.695 40.800 -0.074 0.000 0.929 286 D HN 0.340 nan 8.370 nan 0.000 0.492 287 L N -1.014 120.177 121.223 -0.053 0.000 2.611 287 L HA 0.250 4.590 4.340 0.000 0.000 0.229 287 L C 1.450 178.291 176.870 -0.048 0.000 1.137 287 L CA 0.291 55.096 54.840 -0.057 0.000 0.901 287 L CB 0.214 42.229 42.059 -0.073 0.000 1.098 287 L HN 0.125 nan 8.230 nan 0.000 0.456 288 G N -1.239 107.547 108.800 -0.023 0.000 2.184 288 G HA2 -0.287 3.673 3.960 0.000 0.000 0.206 288 G HA3 -0.287 3.673 3.960 0.000 0.000 0.206 288 G C -0.130 174.778 174.900 0.015 0.000 0.995 288 G CA -0.433 44.651 45.100 -0.027 0.000 0.651 288 G HN 0.267 nan 8.290 nan 0.000 0.511 289 W N 2.764 123.988 121.300 -0.127 0.000 2.210 289 W HA 0.575 5.235 4.660 0.000 0.000 0.330 289 W C 0.652 177.120 176.519 -0.086 0.000 1.334 289 W CA -0.241 57.036 57.345 -0.113 0.000 1.227 289 W CB 0.625 30.010 29.460 -0.125 0.000 1.178 289 W HN 0.152 nan 8.180 nan 0.000 0.560 290 K N 8.943 128.851 120.400 -0.820 0.000 2.285 290 K HA 0.252 4.572 4.320 0.000 0.000 0.286 290 K C -2.114 173.693 176.600 -1.323 0.000 1.072 290 K CA -1.683 54.139 56.287 -0.775 0.000 0.913 290 K CB 0.608 32.816 32.500 -0.487 0.000 1.067 290 K HN 0.200 nan 8.250 nan 0.000 0.479 291 P HA 0.053 nan 4.420 nan 0.000 0.271 291 P C -0.652 176.136 177.300 -0.853 0.000 1.218 291 P CA -0.045 62.450 63.100 -1.008 0.000 0.780 291 P CB 0.986 32.215 31.700 -0.785 0.000 0.901 292 R N 0.970 121.076 120.500 -0.657 0.000 2.437 292 R HA 0.144 4.484 4.340 0.000 0.000 0.257 292 R C -0.018 176.086 176.300 -0.327 0.000 0.927 292 R CA -0.243 55.658 56.100 -0.332 0.000 1.078 292 R CB -0.347 29.905 30.300 -0.080 0.000 1.161 292 R HN 0.390 nan 8.270 nan 0.000 0.529 293 Y N -0.883 118.944 120.300 -0.789 0.000 3.152 293 Y HA -0.283 4.267 4.550 0.000 0.000 0.212 293 Y C 0.734 176.423 175.900 -0.352 0.000 1.198 293 Y CA 0.670 58.167 58.100 -1.005 0.000 1.220 293 Y CB -1.963 36.141 38.460 -0.593 0.000 1.326 293 Y HN 0.203 nan 8.280 nan 0.000 0.562 294 G N -0.345 108.468 108.800 0.021 0.000 2.521 294 G HA2 0.501 4.461 3.960 0.000 0.000 0.323 294 G HA3 0.501 4.461 3.960 0.000 0.000 0.323 294 G C 0.533 175.521 174.900 0.146 0.000 1.211 294 G CA -0.543 44.624 45.100 0.113 0.000 0.979 294 G HN 0.320 nan 8.290 nan 0.000 0.490 295 R N -1.094 119.382 120.500 -0.040 0.000 2.246 295 R HA 0.187 4.527 4.340 0.000 0.000 0.199 295 R C -0.198 175.682 176.300 -0.700 0.000 0.984 295 R CA 0.573 56.480 56.100 -0.322 0.000 1.015 295 R CB -0.003 30.011 30.300 -0.477 0.000 0.930 295 R HN 0.338 nan 8.270 nan 0.000 0.475 296 F N 0.993 120.895 119.950 -0.080 0.000 2.566 296 F HA 0.315 4.842 4.527 0.000 0.000 0.347 296 F C -1.167 174.493 175.800 -0.233 0.000 1.515 296 F CA -1.314 56.320 58.000 -0.610 0.000 1.103 296 F CB 0.846 39.378 39.000 -0.779 0.000 1.385 296 F HN -0.227 nan 8.300 nan 0.000 0.560 297 D N 1.563 122.095 120.400 0.220 0.000 2.313 297 D HA 0.223 4.863 4.640 0.000 0.000 0.239 297 D C 0.159 176.719 176.300 0.433 0.000 1.142 297 D CA -0.029 54.192 54.000 0.368 0.000 0.847 297 D CB 2.407 43.494 40.800 0.478 0.000 1.082 297 D HN -0.052 nan 8.370 nan 0.000 0.480 298 V N 4.008 124.150 119.914 0.381 0.000 2.458 298 V HA -0.040 4.080 4.120 0.000 0.000 0.287 298 V C 1.099 177.209 176.094 0.026 0.000 1.009 298 V CA -0.153 62.258 62.300 0.185 0.000 1.091 298 V CB -0.132 31.747 31.823 0.093 0.000 0.960 298 V HN 0.352 nan 8.190 nan 0.000 0.476 299 L N 8.656 129.796 121.223 -0.138 0.000 2.482 299 L HA 0.249 4.589 4.340 0.000 0.000 0.273 299 L C -1.592 175.055 176.870 -0.372 0.000 1.228 299 L CA -1.067 53.514 54.840 -0.431 0.000 0.827 299 L CB 0.406 42.319 42.059 -0.244 0.000 1.099 299 L HN 0.481 nan 8.230 nan 0.000 0.494 300 P HA 0.211 nan 4.420 nan 0.000 0.278 300 P C -1.061 176.183 177.300 -0.094 0.000 1.258 300 P CA -0.602 62.320 63.100 -0.296 0.000 0.811 300 P CB 0.987 32.423 31.700 -0.440 0.000 1.063 301 L N 0.828 122.082 121.223 0.053 0.000 2.331 301 L HA 0.254 4.594 4.340 0.000 0.000 0.278 301 L C 0.187 177.143 176.870 0.142 0.000 1.106 301 L CA -0.677 54.244 54.840 0.135 0.000 0.824 301 L CB 0.938 43.125 42.059 0.213 0.000 1.142 301 L HN 0.090 nan 8.230 nan 0.000 0.443 302 V N 5.866 125.877 119.914 0.162 0.000 2.293 302 V HA 0.335 4.455 4.120 0.000 0.000 0.275 302 V C 0.061 176.171 176.094 0.026 0.000 1.021 302 V CA -0.333 62.004 62.300 0.062 0.000 0.815 302 V CB 1.108 33.015 31.823 0.140 0.000 1.025 302 V HN 0.490 nan 8.190 nan 0.000 0.448 303 L N 4.701 125.934 121.223 0.017 0.000 2.296 303 L HA 0.600 4.940 4.340 0.000 0.000 0.286 303 L C -0.034 176.745 176.870 -0.152 0.000 1.023 303 L CA -0.301 54.527 54.840 -0.019 0.000 0.812 303 L CB 1.646 43.724 42.059 0.033 0.000 1.223 303 L HN 0.584 nan 8.230 nan 0.000 0.421 304 Q N 2.966 122.671 119.800 -0.159 0.000 2.347 304 Q HA 0.684 5.024 4.340 0.000 0.000 0.262 304 Q C -1.234 174.596 176.000 -0.284 0.000 0.980 304 Q CA -0.568 55.106 55.803 -0.215 0.000 0.867 304 Q CB 1.910 30.613 28.738 -0.058 0.000 1.242 304 Q HN 0.780 nan 8.270 nan 0.000 0.453 305 A N 3.781 126.356 122.820 -0.409 0.000 2.342 305 A HA 0.415 4.735 4.320 0.000 0.000 0.323 305 A C -0.289 176.780 177.584 -0.859 0.000 1.125 305 A CA -0.344 51.168 52.037 -0.874 0.000 0.785 305 A CB 1.061 19.783 19.000 -0.463 0.000 1.221 305 A HN 0.982 nan 8.150 nan 0.000 0.463 306 D N 1.269 120.820 120.400 -1.415 0.000 2.701 306 D HA -0.141 4.499 4.640 0.000 0.000 0.235 306 D C 1.280 177.446 176.300 -0.224 0.000 1.155 306 D CA 2.772 56.478 54.000 -0.491 0.000 0.649 306 D CB -1.068 39.626 40.800 -0.177 0.000 1.050 306 D HN 2.072 nan 8.370 nan 0.000 0.425 307 G N -1.230 107.428 108.800 -0.236 0.000 2.189 307 G HA2 -0.381 3.579 3.960 0.000 0.000 0.267 307 G HA3 -0.381 3.579 3.960 0.000 0.000 0.267 307 G C 0.338 175.179 174.900 -0.098 0.000 0.975 307 G CA 0.714 45.722 45.100 -0.152 0.000 0.644 307 G HN 0.550 nan 8.290 nan 0.000 0.537 308 Q N 1.191 120.907 119.800 -0.139 0.000 2.492 308 Q HA 0.293 4.633 4.340 0.000 0.000 0.238 308 Q C 0.384 176.323 176.000 -0.101 0.000 1.045 308 Q CA -0.209 55.539 55.803 -0.091 0.000 0.934 308 Q CB 0.360 29.035 28.738 -0.105 0.000 1.276 308 Q HN 0.444 nan 8.270 nan 0.000 0.521 309 D N 2.392 122.753 120.400 -0.066 0.000 2.419 309 D HA 0.076 4.716 4.640 0.000 0.000 0.236 309 D C -1.998 174.066 176.300 -0.393 0.000 1.165 309 D CA -0.720 53.146 54.000 -0.224 0.000 0.882 309 D CB -0.055 40.774 40.800 0.048 0.000 1.201 309 D HN 0.251 nan 8.370 nan 0.000 0.443 310 P HA 0.121 nan 4.420 nan 0.000 0.271 310 P C -0.681 176.387 177.300 -0.387 0.000 1.216 310 P CA -0.081 62.580 63.100 -0.732 0.000 0.776 310 P CB 1.018 31.794 31.700 -1.540 0.000 0.881 311 E N 0.756 120.806 120.200 -0.250 0.000 2.212 311 E HA 0.389 4.739 4.350 0.000 0.000 0.268 311 E C -0.713 175.729 176.600 -0.264 0.000 0.902 311 E CA -1.203 55.057 56.400 -0.233 0.000 0.779 311 E CB 2.048 31.650 29.700 -0.163 0.000 1.172 311 E HN 0.162 nan 8.360 nan 0.000 0.409 312 V N 3.360 123.026 119.914 -0.413 0.000 2.465 312 V HA 0.328 4.448 4.120 0.000 0.000 0.279 312 V C -0.740 174.980 176.094 -0.623 0.000 1.045 312 V CA -0.241 61.859 62.300 -0.334 0.000 0.938 312 V CB 0.076 31.778 31.823 -0.202 0.000 0.986 312 V HN 0.513 nan 8.190 nan 0.000 0.467 313 F N 2.174 121.996 119.950 -0.215 0.000 2.539 313 F HA 0.419 4.946 4.527 0.000 0.000 0.328 313 F C 0.526 176.219 175.800 -0.177 0.000 1.148 313 F CA -0.678 57.092 58.000 -0.385 0.000 0.940 313 F CB 1.432 39.958 39.000 -0.791 0.000 1.194 313 F HN 0.467 nan 8.300 nan 0.000 0.438 314 E N 3.669 123.901 120.200 0.053 0.000 2.373 314 E HA 0.261 4.611 4.350 0.000 0.000 0.267 314 E C -0.316 176.440 176.600 0.259 0.000 1.032 314 E CA -0.241 56.255 56.400 0.160 0.000 0.889 314 E CB 1.453 31.276 29.700 0.203 0.000 0.984 314 E HN 0.484 nan 8.360 nan 0.000 0.425 315 I N 4.224 124.933 120.570 0.232 0.000 2.416 315 I HA 0.094 4.264 4.170 0.000 0.000 0.288 315 I C -2.041 174.197 176.117 0.201 0.000 1.051 315 I CA -2.103 59.347 61.300 0.251 0.000 1.375 315 I CB 0.427 38.500 38.000 0.121 0.000 1.407 315 I HN 0.154 nan 8.210 nan 0.000 0.516 316 P HA 0.018 nan 4.420 nan 0.000 0.258 316 P C -1.994 175.365 177.300 0.098 0.000 1.187 316 P CA -0.699 62.489 63.100 0.146 0.000 0.767 316 P CB 0.079 31.845 31.700 0.110 0.000 0.770 317 P HA -0.230 nan 4.420 nan 0.000 0.217 317 P C 0.885 178.222 177.300 0.062 0.000 1.148 317 P CA 1.438 64.588 63.100 0.084 0.000 0.834 317 P CB -0.015 31.738 31.700 0.088 0.000 0.783 318 D N -1.117 119.315 120.400 0.053 0.000 2.264 318 D HA -0.068 4.572 4.640 0.000 0.000 0.208 318 D C 1.743 178.060 176.300 0.029 0.000 0.966 318 D CA 0.898 54.921 54.000 0.037 0.000 0.864 318 D CB -0.182 40.637 40.800 0.032 0.000 0.933 318 D HN 0.274 nan 8.370 nan 0.000 0.499 319 L N 0.467 121.707 121.223 0.029 0.000 2.492 319 L HA 0.033 4.373 4.340 0.000 0.000 0.223 319 L C 0.557 177.440 176.870 0.022 0.000 1.132 319 L CA 0.138 54.989 54.840 0.017 0.000 0.850 319 L CB 0.418 42.477 42.059 0.000 0.000 0.966 319 L HN -0.227 nan 8.230 nan 0.000 0.454 320 V N 2.154 122.086 119.914 0.029 0.000 2.320 320 V HA 0.147 4.267 4.120 0.000 0.000 0.265 320 V C 0.018 176.140 176.094 0.046 0.000 1.048 320 V CA -0.467 61.850 62.300 0.029 0.000 0.865 320 V CB 1.220 33.058 31.823 0.025 0.000 1.043 320 V HN 0.042 nan 8.190 nan 0.000 0.474 321 L N 5.914 127.168 121.223 0.051 0.000 2.331 321 L HA 0.524 4.864 4.340 0.000 0.000 0.278 321 L C 0.103 177.002 176.870 0.048 0.000 1.106 321 L CA 0.677 55.539 54.840 0.037 0.000 0.824 321 L CB 0.722 42.796 42.059 0.027 0.000 1.142 321 L HN 0.673 nan 8.230 nan 0.000 0.443 322 E N 3.157 123.364 120.200 0.011 0.000 2.359 322 E HA 0.645 4.995 4.350 0.000 0.000 0.266 322 E C -1.528 175.008 176.600 -0.107 0.000 0.920 322 E CA -1.055 55.344 56.400 -0.002 0.000 0.788 322 E CB 2.510 32.240 29.700 0.050 0.000 1.279 322 E HN 0.370 nan 8.360 nan 0.000 0.438 323 V N 1.523 121.343 119.914 -0.158 0.000 2.483 323 V HA 0.261 4.381 4.120 0.000 0.000 0.297 323 V C -0.117 175.926 176.094 -0.085 0.000 1.027 323 V CA -0.856 61.303 62.300 -0.236 0.000 0.855 323 V CB 1.594 33.047 31.823 -0.617 0.000 0.995 323 V HN 0.857 nan 8.190 nan 0.000 0.424 324 T N 3.404 117.926 114.554 -0.053 0.000 2.869 324 T HA 0.510 4.860 4.350 0.000 0.000 0.295 324 T C -0.067 174.669 174.700 0.060 0.000 0.987 324 T CA -0.742 61.358 62.100 0.001 0.000 1.109 324 T CB 0.822 69.694 68.868 0.007 0.000 0.932 324 T HN 0.319 nan 8.240 nan 0.000 0.518 325 M N 3.276 122.956 119.600 0.133 0.000 2.146 325 M HA 0.378 4.858 4.480 0.000 0.000 0.352 325 M C 0.260 176.724 176.300 0.273 0.000 1.343 325 M CA 0.197 55.636 55.300 0.232 0.000 1.115 325 M CB -0.045 32.783 32.600 0.380 0.000 1.657 325 M HN 0.803 nan 8.290 nan 0.000 0.471 326 E N 1.047 121.354 120.200 0.177 0.000 2.359 326 E HA 0.442 4.792 4.350 0.000 0.000 0.266 326 E C -1.063 175.528 176.600 -0.015 0.000 0.920 326 E CA -0.797 55.704 56.400 0.168 0.000 0.788 326 E CB 2.672 32.473 29.700 0.169 0.000 1.279 326 E HN 0.507 nan 8.360 nan 0.000 0.438 327 H N 2.197 121.142 119.070 -0.208 0.000 2.538 327 H HA 0.220 4.776 4.556 0.000 0.000 0.353 327 H C -2.002 173.005 175.328 -0.537 0.000 1.109 327 H CA -2.379 53.379 56.048 -0.484 0.000 1.192 327 H CB 1.970 31.390 29.762 -0.570 0.000 1.555 327 H HN 0.300 nan 8.280 nan 0.000 0.518 328 P HA -0.103 nan 4.420 nan 0.000 0.228 328 P C 0.456 177.586 177.300 -0.284 0.000 1.151 328 P CA 1.007 63.603 63.100 -0.841 0.000 0.770 328 P CB 0.767 31.891 31.700 -0.959 0.000 0.786 329 K N -1.355 119.040 120.400 -0.008 0.000 2.485 329 K HA 0.134 4.454 4.320 0.000 0.000 0.200 329 K C 0.909 177.495 176.600 -0.024 0.000 1.344 329 K CA 0.258 56.511 56.287 -0.058 0.000 0.948 329 K CB -0.273 32.121 32.500 -0.176 0.000 1.454 329 K HN 0.250 nan 8.250 nan 0.000 0.502 330 Y N 3.222 123.343 120.300 -0.299 0.000 2.584 330 Y HA 0.048 4.599 4.550 0.000 0.000 0.351 330 Y C 1.326 176.907 175.900 -0.533 0.000 1.030 330 Y CA -0.429 57.257 58.100 -0.690 0.000 1.332 330 Y CB 0.390 37.963 38.460 -1.478 0.000 1.148 330 Y HN 0.113 nan 8.280 nan 0.000 0.528 331 E N 4.012 124.143 120.200 -0.116 0.000 2.204 331 E HA -0.178 4.172 4.350 0.000 0.000 0.194 331 E C 1.542 178.164 176.600 0.036 0.000 0.989 331 E CA 0.950 57.349 56.400 -0.001 0.000 0.824 331 E CB -0.052 29.695 29.700 0.079 0.000 0.756 331 E HN 0.862 nan 8.360 nan 0.000 0.477 332 W N -0.061 121.320 121.300 0.134 0.000 2.595 332 W HA -0.032 4.628 4.660 0.000 0.000 0.257 332 W C 1.393 177.965 176.519 0.088 0.000 1.267 332 W CA -0.176 57.211 57.345 0.070 0.000 1.300 332 W CB -0.857 28.597 29.460 -0.009 0.000 1.120 332 W HN -0.049 nan 8.180 nan 0.000 0.618 333 F N 2.556 122.300 119.950 -0.342 0.000 2.126 333 F HA -0.253 4.274 4.527 0.000 0.000 0.299 333 F C 2.980 178.806 175.800 0.043 0.000 1.096 333 F CA 2.761 60.650 58.000 -0.186 0.000 1.255 333 F CB -0.540 38.276 39.000 -0.307 0.000 0.997 333 F HN -0.099 nan 8.300 nan 0.000 0.479 334 Q N 0.160 120.099 119.800 0.232 0.000 2.226 334 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 334 Q C 1.837 177.907 176.000 0.115 0.000 0.975 334 Q CA 1.588 57.499 55.803 0.181 0.000 0.866 334 Q CB -0.154 28.672 28.738 0.146 0.000 0.915 334 Q HN 0.529 nan 8.270 nan 0.000 0.440 335 E N -0.025 120.251 120.200 0.126 0.000 2.333 335 E HA -0.152 4.198 4.350 0.000 0.000 0.198 335 E C 1.681 178.319 176.600 0.064 0.000 1.007 335 E CA 0.515 56.980 56.400 0.107 0.000 0.845 335 E CB 0.023 29.812 29.700 0.147 0.000 0.766 335 E HN 0.433 nan 8.360 nan 0.000 0.507 336 L N -0.449 120.780 121.223 0.010 0.000 2.275 336 L HA -0.006 4.334 4.340 0.000 0.000 0.215 336 L C 1.543 178.424 176.870 0.018 0.000 1.119 336 L CA 0.601 55.410 54.840 -0.052 0.000 0.790 336 L CB -0.401 41.500 42.059 -0.264 0.000 0.919 336 L HN 0.258 nan 8.230 nan 0.000 0.443 337 G N 0.741 109.573 108.800 0.055 0.000 2.198 337 G HA2 -0.273 3.687 3.960 0.000 0.000 0.257 337 G HA3 -0.273 3.687 3.960 0.000 0.000 0.257 337 G C 0.046 175.044 174.900 0.164 0.000 1.042 337 G CA -0.057 45.111 45.100 0.115 0.000 0.791 337 G HN 0.233 nan 8.290 nan 0.000 0.502 338 L N -0.529 120.730 121.223 0.061 0.000 2.379 338 L HA 0.806 5.146 4.340 0.000 0.000 0.269 338 L C 0.655 177.448 176.870 -0.129 0.000 1.084 338 L CA -0.464 54.358 54.840 -0.030 0.000 0.802 338 L CB 1.600 43.542 42.059 -0.194 0.000 1.175 338 L HN 0.514 nan 8.230 nan 0.000 0.448 339 K N 0.576 120.749 120.400 -0.378 0.000 2.617 339 K HA 0.506 4.826 4.320 0.000 0.000 0.293 339 K C -2.032 174.598 176.600 0.050 0.000 1.034 339 K CA -1.068 55.111 56.287 -0.180 0.000 0.884 339 K CB 2.129 34.439 32.500 -0.317 0.000 1.541 339 K HN 0.579 nan 8.250 nan 0.000 0.409 340 W N 1.456 122.728 121.300 -0.047 0.000 3.066 340 W HA 0.347 5.007 4.660 0.000 0.000 0.330 340 W C -1.388 175.164 176.519 0.056 0.000 1.253 340 W CA -0.770 56.593 57.345 0.030 0.000 1.187 340 W CB 1.611 30.977 29.460 -0.156 0.000 1.434 340 W HN 0.686 nan 8.180 nan 0.000 0.572 341 Y N 0.773 120.926 120.300 -0.245 0.000 2.301 341 Y HA 0.581 5.131 4.550 0.000 0.000 0.328 341 Y C 0.779 176.864 175.900 0.309 0.000 1.242 341 Y CA -0.112 57.960 58.100 -0.046 0.000 1.323 341 Y CB 0.248 38.571 38.460 -0.229 0.000 1.266 341 Y HN 0.335 nan 8.280 nan 0.000 0.527 342 A N 1.955 125.002 122.820 0.378 0.000 2.123 342 A HA 0.124 4.444 4.320 0.000 0.000 0.214 342 A C 0.349 178.281 177.584 0.580 0.000 1.152 342 A CA 0.201 52.522 52.037 0.474 0.000 0.728 342 A CB -0.259 18.856 19.000 0.193 0.000 0.814 342 A HN 0.655 nan 8.150 nan 0.000 0.464 343 L N 1.980 123.499 121.223 0.493 0.000 2.277 343 L HA 0.436 4.776 4.340 0.000 0.000 0.284 343 L C -2.633 174.388 176.870 0.252 0.000 1.028 343 L CA -2.212 52.817 54.840 0.316 0.000 0.835 343 L CB 1.606 43.778 42.059 0.187 0.000 1.215 343 L HN -0.057 nan 8.230 nan 0.000 0.425 344 P HA 0.412 nan 4.420 nan 0.000 0.295 344 P C -1.499 175.710 177.300 -0.153 0.000 1.354 344 P CA -0.327 62.607 63.100 -0.277 0.000 0.814 344 P CB 1.464 32.599 31.700 -0.943 0.000 0.935 345 A N 4.078 126.830 122.820 -0.114 0.000 2.375 345 A HA 0.475 4.795 4.320 0.000 0.000 0.295 345 A C -0.554 176.857 177.584 -0.289 0.000 1.066 345 A CA -0.685 51.233 52.037 -0.198 0.000 0.722 345 A CB 1.397 20.278 19.000 -0.198 0.000 1.206 345 A HN 0.280 nan 8.150 nan 0.000 0.435 346 V N 2.337 121.946 119.914 -0.508 0.000 2.488 346 V HA 0.406 4.526 4.120 0.000 0.000 0.277 346 V C 1.189 176.903 176.094 -0.634 0.000 1.046 346 V CA 0.914 62.836 62.300 -0.630 0.000 0.986 346 V CB 0.995 32.195 31.823 -1.037 0.000 0.989 346 V HN 1.169 nan 8.190 nan 0.000 0.475 347 A N 4.147 126.753 122.820 -0.356 0.000 2.259 347 A HA 0.113 4.433 4.320 0.000 0.000 0.213 347 A C 1.314 178.816 177.584 -0.138 0.000 1.209 347 A CA 0.443 52.343 52.037 -0.229 0.000 0.910 347 A CB -0.132 18.784 19.000 -0.139 0.000 0.946 347 A HN 0.917 nan 8.150 nan 0.000 0.497 348 N N -1.324 117.293 118.700 -0.139 0.000 2.238 348 N HA 0.294 5.034 4.740 0.000 0.000 0.222 348 N C 0.219 175.727 175.510 -0.003 0.000 1.133 348 N CA -0.240 52.775 53.050 -0.059 0.000 0.854 348 N CB 0.166 38.612 38.487 -0.069 0.000 1.041 348 N HN 0.305 nan 8.380 nan 0.000 0.510 349 M N 1.029 120.621 119.600 -0.013 0.000 2.513 349 M HA 0.393 4.873 4.480 0.000 0.000 0.291 349 M C -0.692 175.729 176.300 0.201 0.000 1.190 349 M CA -0.891 54.477 55.300 0.113 0.000 0.960 349 M CB 2.035 34.713 32.600 0.129 0.000 1.517 349 M HN 0.101 nan 8.290 nan 0.000 0.499 350 L N 1.934 123.324 121.223 0.278 0.000 2.362 350 L HA 0.558 4.898 4.340 0.000 0.000 0.275 350 L C -1.590 175.519 176.870 0.398 0.000 0.998 350 L CA -1.025 54.001 54.840 0.311 0.000 0.820 350 L CB 1.541 43.743 42.059 0.238 0.000 1.270 350 L HN 0.578 nan 8.230 nan 0.000 0.415 351 L N 4.954 126.417 121.223 0.399 0.000 2.265 351 L HA 0.465 4.805 4.340 0.000 0.000 0.288 351 L C -0.409 176.629 176.870 0.281 0.000 1.058 351 L CA 0.412 55.422 54.840 0.282 0.000 0.809 351 L CB 1.008 43.194 42.059 0.211 0.000 1.179 351 L HN 0.633 nan 8.230 nan 0.000 0.429 352 E N 4.855 125.169 120.200 0.190 0.000 2.166 352 E HA 0.509 4.859 4.350 0.000 0.000 0.275 352 E C -1.865 174.757 176.600 0.037 0.000 0.941 352 E CA -0.439 56.066 56.400 0.175 0.000 0.784 352 E CB 1.927 31.814 29.700 0.312 0.000 1.115 352 E HN 0.516 nan 8.360 nan 0.000 0.399 353 V N 3.265 123.172 119.914 -0.012 0.000 2.752 353 V HA 0.474 4.594 4.120 0.000 0.000 0.302 353 V C 0.356 176.343 176.094 -0.178 0.000 1.133 353 V CA 0.439 62.612 62.300 -0.212 0.000 0.919 353 V CB 1.335 32.912 31.823 -0.410 0.000 1.026 353 V HN 0.871 nan 8.190 nan 0.000 0.429 354 G N 4.393 113.138 108.800 -0.091 0.000 2.416 354 G HA2 0.058 4.018 3.960 0.000 0.000 0.301 354 G HA3 0.058 4.018 3.960 0.000 0.000 0.301 354 G C 1.612 176.689 174.900 0.294 0.000 0.985 354 G CA 1.590 46.820 45.100 0.216 0.000 0.934 354 G HN 2.714 nan 8.290 nan 0.000 0.513 355 G N -1.880 107.013 108.800 0.156 0.000 2.284 355 G HA2 -0.244 3.717 3.960 0.000 0.000 0.230 355 G HA3 -0.244 3.717 3.960 0.000 0.000 0.230 355 G C 0.615 175.570 174.900 0.091 0.000 1.021 355 G CA 0.349 45.565 45.100 0.194 0.000 0.619 355 G HN 1.233 nan 8.290 nan 0.000 0.510 356 L N 0.874 122.112 121.223 0.026 0.000 2.452 356 L HA 0.579 4.919 4.340 0.000 0.000 0.267 356 L C 0.422 177.215 176.870 -0.128 0.000 1.188 356 L CA 0.026 54.781 54.840 -0.141 0.000 0.821 356 L CB 0.714 42.608 42.059 -0.274 0.000 1.102 356 L HN 0.243 nan 8.230 nan 0.000 0.470 357 E N 1.798 121.834 120.200 -0.273 0.000 2.241 357 E HA 0.382 4.732 4.350 0.000 0.000 0.263 357 E C -1.597 174.820 176.600 -0.304 0.000 0.882 357 E CA -0.416 55.897 56.400 -0.145 0.000 0.769 357 E CB 1.833 31.487 29.700 -0.077 0.000 1.185 357 E HN 0.241 nan 8.360 nan 0.000 0.415 358 F N 3.486 123.464 119.950 0.045 0.000 2.311 358 F HA 0.310 4.837 4.527 0.000 0.000 0.371 358 F C -1.788 174.085 175.800 0.122 0.000 1.083 358 F CA -2.256 55.788 58.000 0.074 0.000 1.113 358 F CB 1.347 40.384 39.000 0.062 0.000 1.349 358 F HN 0.358 nan 8.300 nan 0.000 0.470 359 P HA -0.049 nan 4.420 nan 0.000 0.226 359 P C -0.146 177.290 177.300 0.227 0.000 1.153 359 P CA 0.730 63.944 63.100 0.191 0.000 0.777 359 P CB 0.460 32.246 31.700 0.142 0.000 0.794 360 A N 0.049 123.056 122.820 0.311 0.000 2.410 360 A HA 0.552 4.872 4.320 0.000 0.000 0.289 360 A C -0.353 177.493 177.584 0.437 0.000 1.200 360 A CA -0.444 51.803 52.037 0.349 0.000 0.751 360 A CB 0.276 19.484 19.000 0.347 0.000 1.161 360 A HN 0.259 nan 8.150 nan 0.000 0.459 361 C N 1.037 120.521 119.300 0.308 0.000 3.319 361 C HA 0.489 4.949 4.460 0.000 0.000 0.258 361 C C -2.890 172.188 174.990 0.146 0.000 1.068 361 C CA -1.619 57.536 59.018 0.229 0.000 1.193 361 C CB -0.101 27.786 27.740 0.246 0.000 1.770 361 C HN 0.583 nan 8.230 nan 0.000 0.604 362 P HA 0.365 nan 4.420 nan 0.000 0.268 362 P C -0.642 176.643 177.300 -0.025 0.000 1.204 362 P CA 0.872 63.889 63.100 -0.139 0.000 0.768 362 P CB 0.565 32.202 31.700 -0.105 0.000 0.842 363 F N 0.779 120.656 119.950 -0.121 0.000 2.613 363 F HA 0.696 5.223 4.527 0.000 0.000 0.314 363 F C -0.544 175.156 175.800 -0.168 0.000 1.075 363 F CA -1.166 56.765 58.000 -0.115 0.000 0.945 363 F CB 1.717 40.504 39.000 -0.355 0.000 1.310 363 F HN 0.354 nan 8.300 nan 0.000 0.467 364 N N -0.236 118.550 118.700 0.144 0.000 2.610 364 N HA 0.751 5.492 4.740 0.000 0.000 0.264 364 N C -1.224 174.215 175.510 -0.119 0.000 1.348 364 N CA -0.423 52.631 53.050 0.007 0.000 0.819 364 N CB 1.944 40.483 38.487 0.087 0.000 1.521 364 N HN 1.065 nan 8.380 nan 0.000 0.497 365 G N -0.925 107.768 108.800 -0.178 0.000 3.187 365 G HA2 0.649 4.609 3.960 0.000 0.000 0.175 365 G HA3 0.649 4.609 3.960 0.000 0.000 0.175 365 G C -1.823 173.042 174.900 -0.058 0.000 1.112 365 G CA -0.599 44.320 45.100 -0.301 0.000 0.821 365 G HN 0.711 nan 8.290 nan 0.000 0.636 366 W N -1.651 119.632 121.300 -0.028 0.000 2.929 366 W HA 0.837 5.497 4.660 0.000 0.000 0.345 366 W C -1.395 175.095 176.519 -0.050 0.000 1.151 366 W CA -2.061 55.283 57.345 -0.002 0.000 1.111 366 W CB 0.377 29.880 29.460 0.071 0.000 1.449 366 W HN 0.411 nan 8.180 nan 0.000 0.572 367 Y N 1.969 122.452 120.300 0.304 0.000 2.314 367 Y HA 0.343 4.893 4.550 0.000 0.000 0.334 367 Y C 0.602 176.536 175.900 0.056 0.000 1.266 367 Y CA -0.706 57.438 58.100 0.073 0.000 1.391 367 Y CB 1.218 39.607 38.460 -0.118 0.000 1.306 367 Y HN 0.397 nan 8.280 nan 0.000 0.558 368 M N 1.739 121.467 119.600 0.213 0.000 2.181 368 M HA 0.368 4.848 4.480 0.000 0.000 0.323 368 M C 1.018 177.280 176.300 -0.062 0.000 1.004 368 M CA -0.206 55.141 55.300 0.079 0.000 0.941 368 M CB 1.407 34.036 32.600 0.050 0.000 1.579 368 M HN 0.838 nan 8.290 nan 0.000 0.427 369 G N 1.776 110.492 108.800 -0.139 0.000 2.606 369 G HA2 -0.351 3.609 3.960 0.000 0.000 0.221 369 G HA3 -0.351 3.609 3.960 0.000 0.000 0.221 369 G C 1.132 175.844 174.900 -0.314 0.000 1.152 369 G CA 2.026 46.966 45.100 -0.267 0.000 0.765 369 G HN 0.876 nan 8.290 nan 0.000 0.595 370 T N -0.795 113.593 114.554 -0.277 0.000 2.849 370 T HA -0.061 4.289 4.350 0.000 0.000 0.270 370 T C 1.941 176.445 174.700 -0.326 0.000 1.066 370 T CA 1.678 63.572 62.100 -0.343 0.000 1.130 370 T CB -0.327 68.285 68.868 -0.426 0.000 0.864 370 T HN 0.565 nan 8.240 nan 0.000 0.481 371 E N 0.902 120.936 120.200 -0.277 0.000 2.085 371 E HA -0.067 4.283 4.350 0.000 0.000 0.194 371 E C 2.067 178.365 176.600 -0.503 0.000 0.994 371 E CA 1.448 57.696 56.400 -0.253 0.000 0.801 371 E CB -0.308 29.393 29.700 0.001 0.000 0.743 371 E HN 0.598 nan 8.360 nan 0.000 0.453 372 I N 0.189 120.293 120.570 -0.776 0.000 2.364 372 I HA -0.043 4.127 4.170 0.000 0.000 0.241 372 I C 2.611 178.098 176.117 -1.050 0.000 1.082 372 I CA 0.840 61.373 61.300 -1.277 0.000 1.401 372 I CB -0.503 36.607 38.000 -1.484 0.000 1.126 372 I HN 0.094 nan 8.210 nan 0.000 0.429 373 G N 0.563 108.994 108.800 -0.614 0.000 2.442 373 G HA2 -0.149 3.811 3.960 0.000 0.000 0.219 373 G HA3 -0.149 3.811 3.960 0.000 0.000 0.219 373 G C 1.557 176.383 174.900 -0.123 0.000 1.141 373 G CA 1.262 46.223 45.100 -0.231 0.000 0.763 373 G HN 0.244 nan 8.290 nan 0.000 0.554 374 V N 0.011 119.791 119.914 -0.222 0.000 2.490 374 V HA 0.094 4.214 4.120 0.000 0.000 0.238 374 V C 2.757 178.772 176.094 -0.132 0.000 1.056 374 V CA 0.842 63.052 62.300 -0.150 0.000 1.075 374 V CB -0.248 31.456 31.823 -0.200 0.000 0.746 374 V HN 0.105 nan 8.190 nan 0.000 0.479 375 R N 0.788 121.168 120.500 -0.199 0.000 2.052 375 R HA -0.030 4.310 4.340 0.000 0.000 0.226 375 R C 1.966 178.198 176.300 -0.114 0.000 1.145 375 R CA 1.518 57.529 56.100 -0.148 0.000 0.952 375 R CB -1.161 29.038 30.300 -0.168 0.000 0.847 375 R HN 0.470 nan 8.270 nan 0.000 0.431 376 D N 0.489 120.715 120.400 -0.291 0.000 2.092 376 D HA -0.138 4.503 4.640 0.000 0.000 0.193 376 D C 1.911 178.239 176.300 0.047 0.000 0.994 376 D CA 1.227 55.045 54.000 -0.303 0.000 0.828 376 D CB -0.208 39.876 40.800 -1.193 0.000 0.963 376 D HN 0.097 nan 8.370 nan 0.000 0.450 377 F N 0.296 120.178 119.950 -0.114 0.000 2.270 377 F HA 0.027 4.554 4.527 0.000 0.000 0.295 377 F C 2.449 178.314 175.800 0.109 0.000 1.087 377 F CA -0.171 57.860 58.000 0.051 0.000 1.365 377 F CB -0.742 38.269 39.000 0.018 0.000 1.056 377 F HN 0.040 nan 8.300 nan 0.000 0.506 378 C N -1.200 118.236 119.300 0.227 0.000 2.735 378 C HA 0.172 4.632 4.460 0.000 0.000 0.271 378 C C 0.448 175.498 174.990 0.099 0.000 1.281 378 C CA -0.699 58.408 59.018 0.148 0.000 1.719 378 C CB -0.719 27.074 27.740 0.087 0.000 2.024 378 C HN 0.089 nan 8.230 nan 0.000 0.566 379 D N 1.797 122.248 120.400 0.084 0.000 2.455 379 D HA 0.064 4.704 4.640 0.000 0.000 0.241 379 D C 1.560 177.912 176.300 0.088 0.000 1.138 379 D CA 0.512 54.549 54.000 0.061 0.000 0.877 379 D CB 0.992 41.822 40.800 0.051 0.000 1.187 379 D HN 0.423 nan 8.370 nan 0.000 0.451 380 T N -0.302 114.291 114.554 0.066 0.000 2.881 380 T HA -0.228 4.122 4.350 0.000 0.000 0.270 380 T C 1.304 176.042 174.700 0.064 0.000 1.068 380 T CA 0.773 62.914 62.100 0.070 0.000 1.131 380 T CB -0.026 68.877 68.868 0.057 0.000 0.871 380 T HN 0.482 nan 8.240 nan 0.000 0.479 381 Q N 0.594 120.430 119.800 0.059 0.000 2.322 381 Q HA 0.188 4.528 4.340 0.000 0.000 0.203 381 Q C 0.859 176.897 176.000 0.063 0.000 0.923 381 Q CA -0.122 55.712 55.803 0.053 0.000 0.949 381 Q CB 0.155 28.922 28.738 0.048 0.000 1.039 381 Q HN 0.389 nan 8.270 nan 0.000 0.496 382 R N -0.362 120.194 120.500 0.093 0.000 2.624 382 R HA 0.248 4.588 4.340 0.000 0.000 0.104 382 R C 1.275 177.627 176.300 0.087 0.000 1.178 382 R CA -0.255 55.930 56.100 0.141 0.000 0.986 382 R CB -1.048 29.404 30.300 0.252 0.000 0.855 382 R HN 0.084 nan 8.270 nan 0.000 0.386 383 Y N 1.545 121.989 120.300 0.240 0.000 2.519 383 Y HA 0.023 4.573 4.550 0.000 0.000 0.287 383 Y C 0.516 176.518 175.900 0.170 0.000 1.128 383 Y CA 0.423 58.671 58.100 0.247 0.000 1.282 383 Y CB -0.299 38.405 38.460 0.407 0.000 1.027 383 Y HN 0.450 nan 8.280 nan 0.000 0.551 384 N N 1.145 120.000 118.700 0.258 0.000 2.689 384 N HA -0.235 4.505 4.740 0.000 0.000 0.263 384 N C 0.401 176.012 175.510 0.169 0.000 0.987 384 N CA 0.832 53.988 53.050 0.178 0.000 0.782 384 N CB -1.217 37.340 38.487 0.116 0.000 0.903 384 N HN 0.669 nan 8.380 nan 0.000 0.547 385 I N -3.150 117.535 120.570 0.191 0.000 3.883 385 I HA 0.112 4.282 4.170 0.000 0.000 0.326 385 I C 1.674 177.879 176.117 0.147 0.000 1.283 385 I CA -0.389 60.991 61.300 0.134 0.000 1.161 385 I CB -0.087 37.954 38.000 0.068 0.000 1.012 385 I HN 0.166 nan 8.210 nan 0.000 0.421 386 L N 2.116 123.449 121.223 0.182 0.000 1.997 386 L HA -0.261 4.079 4.340 0.000 0.000 0.216 386 L C 2.574 179.655 176.870 0.352 0.000 1.074 386 L CA 2.510 57.489 54.840 0.231 0.000 0.763 386 L CB -0.743 41.415 42.059 0.166 0.000 0.890 386 L HN 0.541 nan 8.230 nan 0.000 0.434 387 E N -1.036 119.353 120.200 0.314 0.000 2.051 387 E HA -0.306 4.044 4.350 0.000 0.000 0.192 387 E C 2.079 178.691 176.600 0.020 0.000 0.991 387 E CA 1.283 57.798 56.400 0.192 0.000 0.799 387 E CB -0.155 29.588 29.700 0.073 0.000 0.748 387 E HN 0.549 nan 8.360 nan 0.000 0.449 388 E N 0.234 120.446 120.200 0.021 0.000 2.070 388 E HA -0.188 4.162 4.350 0.000 0.000 0.197 388 E C 1.998 178.557 176.600 -0.067 0.000 1.004 388 E CA 1.824 58.195 56.400 -0.049 0.000 0.805 388 E CB -0.395 29.286 29.700 -0.032 0.000 0.744 388 E HN 0.212 nan 8.360 nan 0.000 0.451 389 V N 0.367 120.309 119.914 0.047 0.000 2.332 389 V HA -0.217 3.903 4.120 0.000 0.000 0.248 389 V C 2.322 178.472 176.094 0.093 0.000 1.055 389 V CA 1.957 64.337 62.300 0.134 0.000 1.038 389 V CB -1.216 30.786 31.823 0.299 0.000 0.651 389 V HN 0.520 nan 8.190 nan 0.000 0.450 390 G N -0.331 108.564 108.800 0.158 0.000 2.440 390 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 390 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 390 G C 1.755 176.567 174.900 -0.147 0.000 1.154 390 G CA 0.754 45.933 45.100 0.131 0.000 0.767 390 G HN 0.423 nan 8.290 nan 0.000 0.552 391 R N -0.041 120.309 120.500 -0.250 0.000 2.081 391 R HA 0.014 4.354 4.340 0.000 0.000 0.235 391 R C 2.723 178.798 176.300 -0.376 0.000 1.131 391 R CA 1.027 56.941 56.100 -0.311 0.000 0.960 391 R CB -0.264 29.866 30.300 -0.284 0.000 0.856 391 R HN 0.270 nan 8.270 nan 0.000 0.436 392 R N 0.008 120.195 120.500 -0.522 0.000 2.237 392 R HA 0.002 4.342 4.340 0.000 0.000 0.219 392 R C 1.814 177.546 176.300 -0.947 0.000 1.080 392 R CA 0.842 56.368 56.100 -0.956 0.000 0.995 392 R CB -0.022 29.300 30.300 -1.631 0.000 0.875 392 R HN 0.265 nan 8.270 nan 0.000 0.462 393 M N -0.620 118.689 119.600 -0.486 0.000 2.502 393 M HA 0.133 4.613 4.480 0.000 0.000 0.243 393 M C 0.663 176.861 176.300 -0.171 0.000 1.130 393 M CA 0.382 55.538 55.300 -0.241 0.000 1.055 393 M CB 0.818 33.433 32.600 0.024 0.000 1.457 393 M HN 0.340 nan 8.290 nan 0.000 0.488 394 G N 2.202 110.871 108.800 -0.218 0.000 2.246 394 G HA2 -0.231 3.729 3.960 0.000 0.000 0.273 394 G HA3 -0.231 3.729 3.960 0.000 0.000 0.273 394 G C -0.161 174.678 174.900 -0.102 0.000 1.055 394 G CA -0.067 44.937 45.100 -0.160 0.000 0.851 394 G HN 0.399 nan 8.290 nan 0.000 0.500 395 L N -1.147 120.013 121.223 -0.104 0.000 2.431 395 L HA 0.491 4.831 4.340 0.000 0.000 0.260 395 L C 0.934 177.702 176.870 -0.169 0.000 1.098 395 L CA -0.942 53.868 54.840 -0.049 0.000 0.800 395 L CB 0.700 42.813 42.059 0.091 0.000 1.210 395 L HN 0.149 nan 8.230 nan 0.000 0.465 396 E N 0.069 120.204 120.200 -0.108 0.000 2.148 396 E HA -0.005 4.346 4.350 0.000 0.000 0.308 396 E C 0.725 177.037 176.600 -0.481 0.000 1.278 396 E CA -0.070 56.227 56.400 -0.172 0.000 1.368 396 E CB -0.005 29.687 29.700 -0.014 0.000 1.229 396 E HN 0.631 nan 8.360 nan 0.000 0.494 397 T N -1.770 112.212 114.554 -0.954 0.000 3.139 397 T HA -0.141 4.209 4.350 0.000 0.000 0.267 397 T C 0.922 174.970 174.700 -1.086 0.000 1.164 397 T CA 0.718 61.677 62.100 -1.901 0.000 1.075 397 T CB -0.072 67.738 68.868 -1.762 0.000 0.904 397 T HN 0.380 nan 8.240 nan 0.000 0.540 398 H N 0.167 119.011 119.070 -0.378 0.000 2.672 398 H HA 0.296 4.852 4.556 0.000 0.000 0.277 398 H C -0.108 175.212 175.328 -0.012 0.000 1.074 398 H CA -0.029 55.934 56.048 -0.141 0.000 1.173 398 H CB 0.781 30.471 29.762 -0.120 0.000 1.558 398 H HN 0.358 nan 8.280 nan 0.000 0.539 399 T N 1.880 116.509 114.554 0.125 0.000 3.009 399 T HA 0.213 4.563 4.350 0.000 0.000 0.346 399 T C 1.489 176.374 174.700 0.308 0.000 1.092 399 T CA -0.350 61.858 62.100 0.180 0.000 1.080 399 T CB 1.334 70.278 68.868 0.127 0.000 1.037 399 T HN 0.069 nan 8.240 nan 0.000 0.487 400 L N 1.770 123.168 121.223 0.292 0.000 2.021 400 L HA -0.217 4.123 4.340 0.000 0.000 0.215 400 L C 2.856 179.820 176.870 0.158 0.000 1.074 400 L CA 1.782 56.773 54.840 0.251 0.000 0.760 400 L CB -0.462 41.684 42.059 0.146 0.000 0.889 400 L HN 0.747 nan 8.230 nan 0.000 0.433 401 A N -0.241 122.655 122.820 0.127 0.000 2.139 401 A HA -0.230 4.090 4.320 0.000 0.000 0.221 401 A C 2.375 180.019 177.584 0.099 0.000 1.159 401 A CA 1.846 53.936 52.037 0.089 0.000 0.662 401 A CB -0.626 18.419 19.000 0.074 0.000 0.796 401 A HN 0.613 nan 8.150 nan 0.000 0.463 402 S N -0.814 114.980 115.700 0.157 0.000 2.515 402 S HA 0.083 4.553 4.470 0.000 0.000 0.231 402 S C 0.902 175.587 174.600 0.143 0.000 0.987 402 S CA 0.757 59.054 58.200 0.161 0.000 0.936 402 S CB -0.686 62.643 63.200 0.215 0.000 0.766 402 S HN 0.912 nan 8.310 nan 0.000 0.528 403 L N 0.168 121.448 121.223 0.094 0.000 4.089 403 L HA -0.170 4.170 4.340 0.000 0.000 0.408 403 L C 1.644 178.507 176.870 -0.013 0.000 1.184 403 L CA 0.728 55.560 54.840 -0.012 0.000 0.947 403 L CB -2.618 39.447 42.059 0.010 0.000 2.066 403 L HN 0.747 nan 8.230 nan 0.000 0.851 404 W N 0.357 121.673 121.300 0.026 0.000 2.363 404 W HA -0.158 4.502 4.660 0.000 0.000 0.296 404 W C 1.691 178.233 176.519 0.038 0.000 1.212 404 W CA 1.401 58.762 57.345 0.027 0.000 1.260 404 W CB -0.763 28.698 29.460 0.003 0.000 1.131 404 W HN 0.272 nan 8.180 nan 0.000 0.530 405 K N 0.688 120.448 120.400 -1.068 0.000 2.097 405 K HA -0.163 4.157 4.320 0.000 0.000 0.206 405 K C 1.627 178.027 176.600 -0.332 0.000 1.049 405 K CA 1.971 57.687 56.287 -0.952 0.000 0.933 405 K CB -0.345 31.543 32.500 -1.020 0.000 0.717 405 K HN 0.068 nan 8.250 nan 0.000 0.442 406 D N 0.373 120.643 120.400 -0.217 0.000 2.178 406 D HA -0.105 4.535 4.640 0.000 0.000 0.202 406 D C 1.966 178.268 176.300 0.003 0.000 0.974 406 D CA 0.983 54.934 54.000 -0.083 0.000 0.841 406 D CB 0.056 40.823 40.800 -0.055 0.000 0.953 406 D HN 0.192 nan 8.370 nan 0.000 0.478 407 R N 0.669 121.195 120.500 0.045 0.000 2.090 407 R HA 0.036 4.376 4.340 0.000 0.000 0.228 407 R C 2.341 178.744 176.300 0.173 0.000 1.110 407 R CA 0.947 57.119 56.100 0.120 0.000 0.973 407 R CB -0.097 30.297 30.300 0.157 0.000 0.869 407 R HN 0.046 nan 8.270 nan 0.000 0.440 408 A N 0.635 123.565 122.820 0.184 0.000 1.841 408 A HA -0.134 4.186 4.320 0.000 0.000 0.214 408 A C 2.235 179.946 177.584 0.212 0.000 1.195 408 A CA 1.417 53.607 52.037 0.255 0.000 0.611 408 A CB -0.969 18.207 19.000 0.293 0.000 0.835 408 A HN 0.185 nan 8.150 nan 0.000 0.443 409 V N 0.145 120.126 119.914 0.111 0.000 2.380 409 V HA -0.253 3.867 4.120 0.000 0.000 0.251 409 V C 2.557 178.707 176.094 0.093 0.000 1.063 409 V CA 2.998 65.350 62.300 0.087 0.000 1.055 409 V CB -0.906 30.918 31.823 0.002 0.000 0.657 409 V HN 0.671 nan 8.190 nan 0.000 0.455 410 T N -0.354 114.258 114.554 0.097 0.000 2.777 410 T HA -0.125 4.225 4.350 0.000 0.000 0.266 410 T C 1.768 176.535 174.700 0.112 0.000 1.040 410 T CA 1.480 63.637 62.100 0.096 0.000 1.141 410 T CB -0.238 68.687 68.868 0.095 0.000 0.868 410 T HN 0.514 nan 8.240 nan 0.000 0.444 411 E N 0.852 121.161 120.200 0.181 0.000 2.208 411 E HA 0.056 4.406 4.350 0.000 0.000 0.193 411 E C 2.174 178.872 176.600 0.164 0.000 0.988 411 E CA 0.525 57.064 56.400 0.231 0.000 0.828 411 E CB -0.293 29.627 29.700 0.367 0.000 0.763 411 E HN 0.536 nan 8.360 nan 0.000 0.478 412 I N 1.395 122.094 120.570 0.215 0.000 2.286 412 I HA -0.222 3.949 4.170 0.000 0.000 0.245 412 I C 1.972 178.130 176.117 0.069 0.000 1.104 412 I CA 0.672 62.104 61.300 0.220 0.000 1.397 412 I CB -0.241 37.972 38.000 0.354 0.000 1.072 412 I HN 0.013 nan 8.210 nan 0.000 0.417 413 N N 0.631 119.354 118.700 0.039 0.000 2.166 413 N HA -0.117 4.623 4.740 0.000 0.000 0.186 413 N C 1.939 177.417 175.510 -0.052 0.000 1.019 413 N CA 1.079 54.116 53.050 -0.022 0.000 0.856 413 N CB -0.252 38.232 38.487 -0.006 0.000 0.993 413 N HN 0.145 nan 8.380 nan 0.000 0.426 414 V N 1.499 121.366 119.914 -0.078 0.000 2.427 414 V HA -0.171 3.949 4.120 0.000 0.000 0.248 414 V C 2.384 178.310 176.094 -0.279 0.000 1.051 414 V CA 1.698 63.892 62.300 -0.177 0.000 1.048 414 V CB -0.831 30.841 31.823 -0.251 0.000 0.666 414 V HN 0.273 nan 8.190 nan 0.000 0.456 415 A N -0.216 122.381 122.820 -0.371 0.000 1.877 415 A HA -0.159 4.161 4.320 0.000 0.000 0.216 415 A C 2.399 179.904 177.584 -0.131 0.000 1.186 415 A CA 2.092 53.861 52.037 -0.445 0.000 0.620 415 A CB -0.699 17.724 19.000 -0.962 0.000 0.822 415 A HN 0.321 nan 8.150 nan 0.000 0.443 416 V N 0.238 120.118 119.914 -0.056 0.000 2.255 416 V HA -0.288 3.832 4.120 0.000 0.000 0.247 416 V C 2.605 178.715 176.094 0.026 0.000 1.051 416 V CA 2.125 64.440 62.300 0.025 0.000 1.018 416 V CB -0.847 30.912 31.823 -0.107 0.000 0.641 416 V HN 0.576 nan 8.190 nan 0.000 0.445 417 L N -0.548 120.646 121.223 -0.048 0.000 2.046 417 L HA -0.228 4.112 4.340 0.000 0.000 0.208 417 L C 2.652 179.539 176.870 0.027 0.000 1.077 417 L CA 2.130 56.952 54.840 -0.030 0.000 0.747 417 L CB -0.968 41.071 42.059 -0.034 0.000 0.896 417 L HN 0.518 nan 8.230 nan 0.000 0.432 418 H N -0.135 118.879 119.070 -0.092 0.000 2.353 418 H HA -0.133 4.423 4.556 0.000 0.000 0.300 418 H C 2.246 177.551 175.328 -0.040 0.000 1.090 418 H CA 1.817 57.801 56.048 -0.106 0.000 1.327 418 H CB 0.377 30.003 29.762 -0.226 0.000 1.383 418 H HN 0.257 nan 8.280 nan 0.000 0.508 419 S N 0.221 115.874 115.700 -0.077 0.000 2.355 419 S HA -0.099 4.371 4.470 0.000 0.000 0.222 419 S C 1.967 176.544 174.600 -0.039 0.000 1.031 419 S CA 1.096 59.247 58.200 -0.081 0.000 0.993 419 S CB -0.473 62.769 63.200 0.069 0.000 0.859 419 S HN 0.281 nan 8.310 nan 0.000 0.453 420 F N 2.106 121.990 119.950 -0.110 0.000 2.134 420 F HA -0.092 4.435 4.527 0.000 0.000 0.299 420 F C 2.635 178.373 175.800 -0.103 0.000 1.097 420 F CA 1.040 58.994 58.000 -0.077 0.000 1.264 420 F CB -0.655 38.316 39.000 -0.048 0.000 1.001 420 F HN 0.218 nan 8.300 nan 0.000 0.479 421 Q N -0.090 119.742 119.800 0.054 0.000 2.050 421 Q HA -0.242 4.098 4.340 0.000 0.000 0.202 421 Q C 2.259 178.195 176.000 -0.107 0.000 0.980 421 Q CA 1.730 57.511 55.803 -0.035 0.000 0.840 421 Q CB -0.296 28.408 28.738 -0.056 0.000 0.898 421 Q HN 0.340 nan 8.270 nan 0.000 0.424 422 K N 0.596 120.870 120.400 -0.210 0.000 2.032 422 K HA -0.218 4.102 4.320 0.000 0.000 0.209 422 K C 1.680 178.195 176.600 -0.142 0.000 1.048 422 K CA 1.352 57.505 56.287 -0.223 0.000 0.927 422 K CB 0.153 32.434 32.500 -0.366 0.000 0.712 422 K HN 0.002 nan 8.250 nan 0.000 0.441 423 Q N 0.896 120.611 119.800 -0.142 0.000 2.466 423 Q HA 0.071 4.411 4.340 0.000 0.000 0.210 423 Q C -0.579 175.360 176.000 -0.101 0.000 0.961 423 Q CA 0.306 56.032 55.803 -0.128 0.000 0.953 423 Q CB 0.069 28.698 28.738 -0.183 0.000 1.011 423 Q HN 0.316 nan 8.270 nan 0.000 0.516 424 N N -0.906 117.747 118.700 -0.079 0.000 2.740 424 N HA -0.158 4.582 4.740 0.000 0.000 0.248 424 N C -1.277 174.208 175.510 -0.042 0.000 1.062 424 N CA 0.597 53.613 53.050 -0.056 0.000 0.704 424 N CB -1.604 36.850 38.487 -0.055 0.000 0.968 424 N HN 0.030 nan 8.380 nan 0.000 0.547 425 V N 0.810 120.715 119.914 -0.014 0.000 2.435 425 V HA 0.266 4.386 4.120 0.000 0.000 0.290 425 V C 0.949 177.140 176.094 0.162 0.000 1.030 425 V CA -0.600 61.728 62.300 0.047 0.000 0.881 425 V CB 2.021 33.812 31.823 -0.054 0.000 0.983 425 V HN 0.168 nan 8.190 nan 0.000 0.445 426 T N 6.271 120.869 114.554 0.073 0.000 2.934 426 T HA 0.409 4.759 4.350 0.000 0.000 0.306 426 T C -0.234 174.510 174.700 0.073 0.000 1.042 426 T CA 0.906 62.967 62.100 -0.064 0.000 1.145 426 T CB 0.044 68.729 68.868 -0.304 0.000 0.982 426 T HN 0.584 nan 8.240 nan 0.000 0.544 427 I N 2.211 122.749 120.570 -0.054 0.000 2.897 427 I HA 0.563 4.733 4.170 0.000 0.000 0.299 427 I C -1.778 174.330 176.117 -0.014 0.000 1.527 427 I CA -1.030 60.260 61.300 -0.017 0.000 0.979 427 I CB 2.005 39.885 38.000 -0.199 0.000 1.360 427 I HN 0.672 nan 8.210 nan 0.000 0.495 428 M N 5.863 125.508 119.600 0.075 0.000 2.386 428 M HA 0.386 4.866 4.480 0.000 0.000 0.293 428 M C -1.619 174.724 176.300 0.072 0.000 1.120 428 M CA -0.604 54.755 55.300 0.099 0.000 0.909 428 M CB 1.744 34.485 32.600 0.235 0.000 1.661 428 M HN 0.609 nan 8.290 nan 0.000 0.452 429 D N 3.327 123.764 120.400 0.063 0.000 2.358 429 D HA 0.039 4.680 4.640 0.000 0.000 0.244 429 D C 0.597 176.952 176.300 0.091 0.000 1.163 429 D CA -0.154 53.901 54.000 0.091 0.000 0.945 429 D CB 0.559 41.402 40.800 0.072 0.000 1.152 429 D HN 0.858 nan 8.370 nan 0.000 0.451 430 H N 0.284 119.290 119.070 -0.108 0.000 2.457 430 H HA -0.126 4.430 4.556 0.000 0.000 0.294 430 H C 1.365 176.589 175.328 -0.173 0.000 1.064 430 H CA 1.150 57.096 56.048 -0.171 0.000 1.330 430 H CB -0.706 28.896 29.762 -0.267 0.000 1.395 430 H HN 0.525 nan 8.280 nan 0.000 0.541 431 H N 0.968 119.841 119.070 -0.329 0.000 2.299 431 H HA -0.040 4.516 4.556 0.000 0.000 0.302 431 H C 1.982 177.280 175.328 -0.049 0.000 1.078 431 H CA 1.965 57.894 56.048 -0.199 0.000 1.323 431 H CB -0.335 29.278 29.762 -0.248 0.000 1.381 431 H HN 0.380 nan 8.280 nan 0.000 0.498 432 T N 1.283 115.891 114.554 0.090 0.000 2.720 432 T HA -0.110 4.240 4.350 0.000 0.000 0.268 432 T C 2.337 177.102 174.700 0.109 0.000 1.037 432 T CA 1.237 63.391 62.100 0.089 0.000 1.144 432 T CB -0.429 68.485 68.868 0.077 0.000 0.864 432 T HN 0.438 nan 8.240 nan 0.000 0.444 433 A N 1.362 124.247 122.820 0.109 0.000 1.902 433 A HA -0.101 4.219 4.320 0.000 0.000 0.217 433 A C 2.627 180.303 177.584 0.155 0.000 1.181 433 A CA 1.956 54.075 52.037 0.136 0.000 0.623 433 A CB -0.878 18.191 19.000 0.115 0.000 0.818 433 A HN 0.441 nan 8.150 nan 0.000 0.443 434 S N -0.192 115.580 115.700 0.121 0.000 2.356 434 S HA -0.167 4.303 4.470 0.000 0.000 0.223 434 S C 1.858 176.575 174.600 0.196 0.000 1.032 434 S CA 1.505 59.797 58.200 0.155 0.000 1.005 434 S CB -0.356 62.906 63.200 0.103 0.000 0.867 434 S HN 0.704 nan 8.310 nan 0.000 0.449 435 E N 0.909 121.198 120.200 0.148 0.000 2.110 435 E HA -0.129 4.221 4.350 0.000 0.000 0.193 435 E C 2.269 178.948 176.600 0.132 0.000 0.988 435 E CA 1.167 57.644 56.400 0.127 0.000 0.804 435 E CB -0.267 29.490 29.700 0.095 0.000 0.745 435 E HN 0.422 nan 8.360 nan 0.000 0.458 436 S N 0.537 116.326 115.700 0.150 0.000 2.359 436 S HA -0.196 4.274 4.470 0.000 0.000 0.224 436 S C 1.792 176.503 174.600 0.186 0.000 1.035 436 S CA 1.056 59.349 58.200 0.154 0.000 1.018 436 S CB -0.317 62.984 63.200 0.169 0.000 0.876 436 S HN 0.326 nan 8.310 nan 0.000 0.448 437 F N 1.729 121.743 119.950 0.107 0.000 2.171 437 F HA 0.012 4.539 4.527 0.000 0.000 0.300 437 F C 2.114 178.005 175.800 0.151 0.000 1.090 437 F CA 1.413 59.494 58.000 0.136 0.000 1.293 437 F CB -0.320 38.741 39.000 0.102 0.000 1.013 437 F HN 0.198 nan 8.300 nan 0.000 0.486 438 M N 0.189 119.834 119.600 0.075 0.000 2.117 438 M HA -0.178 4.303 4.480 0.000 0.000 0.262 438 M C 2.204 178.457 176.300 -0.078 0.000 1.065 438 M CA 1.539 56.833 55.300 -0.011 0.000 1.114 438 M CB -1.209 31.446 32.600 0.091 0.000 1.361 438 M HN 0.093 nan 8.290 nan 0.000 0.408 439 K N -0.324 120.065 120.400 -0.017 0.000 2.057 439 K HA -0.198 4.122 4.320 0.000 0.000 0.206 439 K C 1.982 178.555 176.600 -0.045 0.000 1.050 439 K CA 1.762 58.042 56.287 -0.012 0.000 0.935 439 K CB -0.608 31.912 32.500 0.033 0.000 0.715 439 K HN 0.389 nan 8.250 nan 0.000 0.439 440 H N -0.239 118.735 119.070 -0.161 0.000 2.357 440 H HA -0.023 4.533 4.556 0.000 0.000 0.301 440 H C 1.992 177.160 175.328 -0.267 0.000 1.082 440 H CA 2.366 58.301 56.048 -0.189 0.000 1.342 440 H CB -0.161 29.479 29.762 -0.204 0.000 1.389 440 H HN 0.278 nan 8.280 nan 0.000 0.511 441 M N -0.091 119.160 119.600 -0.581 0.000 2.117 441 M HA -0.227 4.253 4.480 0.000 0.000 0.262 441 M C 2.119 178.330 176.300 -0.148 0.000 1.065 441 M CA 1.949 56.972 55.300 -0.462 0.000 1.114 441 M CB 0.017 32.364 32.600 -0.422 0.000 1.361 441 M HN 0.411 nan 8.290 nan 0.000 0.408 442 Q N -0.016 119.703 119.800 -0.135 0.000 2.119 442 Q HA -0.148 4.192 4.340 0.000 0.000 0.201 442 Q C 1.714 177.682 176.000 -0.054 0.000 0.972 442 Q CA 1.642 57.410 55.803 -0.057 0.000 0.847 442 Q CB -0.153 28.546 28.738 -0.066 0.000 0.903 442 Q HN 0.578 nan 8.270 nan 0.000 0.433 443 N N 0.404 119.035 118.700 -0.114 0.000 2.166 443 N HA -0.146 4.594 4.740 0.000 0.000 0.186 443 N C 1.502 176.933 175.510 -0.132 0.000 1.019 443 N CA 0.966 53.961 53.050 -0.092 0.000 0.856 443 N CB -0.098 38.352 38.487 -0.062 0.000 0.993 443 N HN 0.241 nan 8.380 nan 0.000 0.426 444 E N 0.178 120.215 120.200 -0.273 0.000 2.110 444 E HA -0.125 4.225 4.350 0.000 0.000 0.193 444 E C 1.786 178.235 176.600 -0.252 0.000 0.988 444 E CA 0.754 56.960 56.400 -0.324 0.000 0.804 444 E CB -0.352 29.030 29.700 -0.529 0.000 0.745 444 E HN 0.493 nan 8.360 nan 0.000 0.458 445 Y N 0.965 121.171 120.300 -0.157 0.000 2.242 445 Y HA -0.092 4.458 4.550 0.000 0.000 0.291 445 Y C 2.564 178.416 175.900 -0.080 0.000 1.137 445 Y CA 1.173 59.216 58.100 -0.096 0.000 1.181 445 Y CB -0.002 38.402 38.460 -0.093 0.000 0.989 445 Y HN -0.040 nan 8.280 nan 0.000 0.527 446 R N -0.642 119.880 120.500 0.038 0.000 2.073 446 R HA -0.101 4.239 4.340 0.000 0.000 0.229 446 R C 2.483 178.771 176.300 -0.019 0.000 1.120 446 R CA 1.055 57.158 56.100 0.004 0.000 0.967 446 R CB -0.548 29.747 30.300 -0.007 0.000 0.862 446 R HN 0.299 nan 8.270 nan 0.000 0.436 447 A N 1.774 124.568 122.820 -0.043 0.000 1.855 447 A HA -0.169 4.151 4.320 0.000 0.000 0.215 447 A C 1.678 179.229 177.584 -0.055 0.000 1.191 447 A CA 1.596 53.608 52.037 -0.041 0.000 0.613 447 A CB -0.135 18.840 19.000 -0.042 0.000 0.829 447 A HN 0.433 nan 8.150 nan 0.000 0.442 448 R N -2.741 117.696 120.500 -0.104 0.000 2.582 448 R HA 0.415 4.756 4.340 0.000 0.000 0.453 448 R C 0.632 176.859 176.300 -0.122 0.000 0.969 448 R CA 0.306 56.347 56.100 -0.098 0.000 1.113 448 R CB -0.770 29.466 30.300 -0.107 0.000 1.507 448 R HN 0.886 nan 8.270 nan 0.000 0.587 449 G N -0.041 108.681 108.800 -0.130 0.000 2.323 449 G HA2 -0.042 3.918 3.960 0.000 0.000 0.292 449 G HA3 -0.042 3.918 3.960 0.000 0.000 0.292 449 G C 0.258 174.959 174.900 -0.331 0.000 1.040 449 G CA 0.248 45.280 45.100 -0.113 0.000 0.942 449 G HN 1.003 nan 8.290 nan 0.000 0.506 450 G N -2.598 105.701 108.800 -0.834 0.000 2.340 450 G HA2 0.552 4.512 3.960 0.000 0.000 0.300 450 G HA3 0.552 4.512 3.960 0.000 0.000 0.300 450 G C -0.860 173.595 174.900 -0.743 0.000 1.488 450 G CA 0.226 44.734 45.100 -0.986 0.000 0.878 450 G HN 1.864 nan 8.290 nan 0.000 0.618 451 C N 2.549 121.598 119.300 -0.419 0.000 3.044 451 C HA 0.621 5.081 4.460 0.000 0.000 0.382 451 C C -2.519 172.387 174.990 -0.140 0.000 1.071 451 C CA -1.158 57.732 59.018 -0.214 0.000 1.296 451 C CB 0.904 28.558 27.740 -0.143 0.000 1.730 451 C HN 0.701 nan 8.230 nan 0.000 0.513 452 P HA 0.353 nan 4.420 nan 0.000 0.263 452 P C -0.560 176.631 177.300 -0.182 0.000 1.195 452 P CA 0.763 63.444 63.100 -0.699 0.000 0.762 452 P CB 0.920 32.107 31.700 -0.854 0.000 0.799 453 A N 2.782 125.562 122.820 -0.068 0.000 2.459 453 A HA 0.396 4.716 4.320 0.000 0.000 0.296 453 A C -1.021 176.627 177.584 0.107 0.000 1.039 453 A CA -0.561 51.533 52.037 0.096 0.000 0.698 453 A CB 1.275 20.450 19.000 0.291 0.000 1.261 453 A HN 0.443 nan 8.150 nan 0.000 0.405 454 D N 2.156 122.617 120.400 0.101 0.000 2.467 454 D HA 0.141 4.781 4.640 0.000 0.000 0.220 454 D C 0.827 177.272 176.300 0.241 0.000 1.103 454 D CA -0.494 53.617 54.000 0.185 0.000 0.886 454 D CB 0.338 41.224 40.800 0.144 0.000 1.025 454 D HN 0.612 nan 8.370 nan 0.000 0.514 455 W N 4.408 125.760 121.300 0.087 0.000 2.304 455 W HA -0.247 4.413 4.660 0.000 0.000 0.315 455 W C 1.771 178.334 176.519 0.074 0.000 1.233 455 W CA 1.343 58.721 57.345 0.055 0.000 1.261 455 W CB -0.111 29.362 29.460 0.021 0.000 1.150 455 W HN 0.474 nan 8.180 nan 0.000 0.494 456 I N -1.081 119.811 120.570 0.537 0.000 2.315 456 I HA -0.312 3.858 4.170 0.000 0.000 0.251 456 I C 1.749 177.993 176.117 0.212 0.000 1.125 456 I CA 1.464 63.015 61.300 0.418 0.000 1.392 456 I CB -0.619 37.637 38.000 0.426 0.000 1.065 456 I HN 0.126 nan 8.210 nan 0.000 0.424 457 W N 0.043 121.343 121.300 -0.001 0.000 2.683 457 W HA 0.154 4.814 4.660 0.000 0.000 0.267 457 W C 2.233 178.653 176.519 -0.165 0.000 1.243 457 W CA 0.161 57.471 57.345 -0.059 0.000 1.380 457 W CB -0.313 29.138 29.460 -0.015 0.000 1.063 457 W HN -0.074 nan 8.180 nan 0.000 0.599 458 L N -0.128 121.070 121.223 -0.042 0.000 2.156 458 L HA -0.047 4.293 4.340 0.000 0.000 0.208 458 L C 0.652 177.328 176.870 -0.324 0.000 1.095 458 L CA 0.440 55.126 54.840 -0.257 0.000 0.770 458 L CB -0.994 40.821 42.059 -0.407 0.000 0.914 458 L HN -0.396 nan 8.230 nan 0.000 0.439 459 V N 1.434 121.070 119.914 -0.463 0.000 2.470 459 V HA 0.113 4.233 4.120 0.000 0.000 0.276 459 V C -1.834 174.086 176.094 -0.291 0.000 1.040 459 V CA -1.330 60.683 62.300 -0.479 0.000 1.008 459 V CB 0.299 31.593 31.823 -0.881 0.000 0.990 459 V HN 0.042 nan 8.190 nan 0.000 0.477 460 P HA 0.047 nan 4.420 nan 0.000 0.267 460 P C -1.688 175.496 177.300 -0.193 0.000 1.201 460 P CA -0.839 62.152 63.100 -0.183 0.000 0.775 460 P CB 0.051 31.680 31.700 -0.118 0.000 0.854 461 P HA -0.068 nan 4.420 nan 0.000 0.231 461 P C 0.002 177.204 177.300 -0.163 0.000 1.158 461 P CA 1.088 64.072 63.100 -0.193 0.000 0.763 461 P CB 0.102 31.673 31.700 -0.215 0.000 0.805 462 V N -5.464 114.335 119.914 -0.191 0.000 3.078 462 V HA 0.588 4.708 4.120 0.000 0.000 0.311 462 V C 0.352 176.412 176.094 -0.057 0.000 1.138 462 V CA -0.542 61.679 62.300 -0.132 0.000 1.007 462 V CB 1.315 33.040 31.823 -0.164 0.000 1.045 462 V HN 0.055 nan 8.190 nan 0.000 0.432 463 S N -0.040 115.657 115.700 -0.004 0.000 3.549 463 S HA -0.208 4.262 4.470 0.000 0.000 0.366 463 S C 1.428 176.021 174.600 -0.012 0.000 1.012 463 S CA 1.281 59.501 58.200 0.033 0.000 1.141 463 S CB -2.270 61.023 63.200 0.154 0.000 0.910 463 S HN 2.516 nan 8.310 nan 0.000 0.471 464 G N 2.838 111.608 108.800 -0.051 0.000 2.764 464 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 464 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 464 G C 1.558 176.312 174.900 -0.245 0.000 1.259 464 G CA 1.969 47.037 45.100 -0.053 0.000 0.793 464 G HN 1.783 nan 8.290 nan 0.000 0.633 465 S N 0.091 115.331 115.700 -0.768 0.000 2.595 465 S HA 0.097 4.567 4.470 0.000 0.000 0.235 465 S C 1.988 176.501 174.600 -0.146 0.000 0.974 465 S CA 0.589 58.165 58.200 -1.041 0.000 0.942 465 S CB -0.059 62.369 63.200 -1.288 0.000 0.766 465 S HN 0.219 nan 8.310 nan 0.000 0.536 466 I N 2.794 123.332 120.570 -0.054 0.000 3.251 466 I HA 0.052 4.222 4.170 0.000 0.000 0.277 466 I C 1.334 177.546 176.117 0.158 0.000 1.268 466 I CA 0.614 61.963 61.300 0.082 0.000 1.449 466 I CB -1.752 36.313 38.000 0.109 0.000 1.083 466 I HN 0.496 nan 8.210 nan 0.000 0.464 467 T N -0.974 113.662 114.554 0.136 0.000 2.928 467 T HA 0.336 4.686 4.350 0.000 0.000 0.284 467 T C -1.410 173.446 174.700 0.259 0.000 1.008 467 T CA -1.695 60.503 62.100 0.165 0.000 1.057 467 T CB 2.226 71.141 68.868 0.078 0.000 1.018 467 T HN -0.087 nan 8.240 nan 0.000 0.493 468 P HA -0.056 nan 4.420 nan 0.000 0.219 468 P C 1.855 179.360 177.300 0.343 0.000 1.150 468 P CA 0.935 64.233 63.100 0.331 0.000 0.814 468 P CB -0.344 31.487 31.700 0.219 0.000 0.787 469 V N -3.187 116.873 119.914 0.243 0.000 2.469 469 V HA -0.227 3.893 4.120 0.000 0.000 0.251 469 V C 2.371 178.565 176.094 0.166 0.000 1.064 469 V CA 1.463 63.882 62.300 0.198 0.000 1.066 469 V CB -2.338 29.530 31.823 0.074 0.000 0.667 469 V HN -0.110 nan 8.190 nan 0.000 0.461 470 F N 1.973 121.899 119.950 -0.040 0.000 2.161 470 F HA -0.157 4.370 4.527 0.000 0.000 0.300 470 F C 2.400 178.323 175.800 0.205 0.000 1.089 470 F CA 2.183 60.174 58.000 -0.015 0.000 1.282 470 F CB -0.385 38.485 39.000 -0.217 0.000 1.010 470 F HN 0.299 nan 8.300 nan 0.000 0.485 471 H N -0.990 118.447 119.070 0.612 0.000 2.539 471 H HA 0.110 4.666 4.556 0.000 0.000 0.267 471 H C 0.309 175.895 175.328 0.431 0.000 0.982 471 H CA 0.206 56.563 56.048 0.516 0.000 1.146 471 H CB -0.157 29.874 29.762 0.448 0.000 1.382 471 H HN 0.248 nan 8.280 nan 0.000 0.577 472 Q N 2.028 122.107 119.800 0.465 0.000 2.303 472 Q HA 0.144 4.485 4.340 0.000 0.000 0.257 472 Q C -0.561 175.662 176.000 0.372 0.000 0.941 472 Q CA -0.364 55.656 55.803 0.361 0.000 0.931 472 Q CB 0.721 29.642 28.738 0.304 0.000 1.215 472 Q HN 0.236 nan 8.270 nan 0.000 0.437 473 E N 3.699 124.068 120.200 0.281 0.000 2.373 473 E HA 0.253 4.603 4.350 0.000 0.000 0.267 473 E C -0.482 176.247 176.600 0.215 0.000 1.032 473 E CA 0.257 56.787 56.400 0.217 0.000 0.889 473 E CB 0.826 30.641 29.700 0.191 0.000 0.984 473 E HN 0.603 nan 8.360 nan 0.000 0.425 474 M N 2.192 121.926 119.600 0.224 0.000 2.572 474 M HA 0.377 4.857 4.480 0.000 0.000 0.299 474 M C -1.320 175.093 176.300 0.189 0.000 1.205 474 M CA -1.107 54.341 55.300 0.248 0.000 0.876 474 M CB 1.598 34.394 32.600 0.328 0.000 1.728 474 M HN 0.196 nan 8.290 nan 0.000 0.458 475 L N 2.312 123.659 121.223 0.206 0.000 2.325 475 L HA 0.474 4.814 4.340 0.000 0.000 0.281 475 L C -0.698 176.244 176.870 0.121 0.000 1.004 475 L CA -0.197 54.757 54.840 0.190 0.000 0.823 475 L CB 1.334 43.559 42.059 0.278 0.000 1.236 475 L HN 0.564 nan 8.230 nan 0.000 0.415 476 N N 3.614 122.335 118.700 0.035 0.000 2.424 476 N HA 0.557 5.297 4.740 0.000 0.000 0.271 476 N C -1.502 173.755 175.510 -0.422 0.000 0.985 476 N CA -0.184 52.778 53.050 -0.147 0.000 0.921 476 N CB 0.620 39.128 38.487 0.035 0.000 1.149 476 N HN 0.386 nan 8.380 nan 0.000 0.492 477 Y N -0.090 119.960 120.300 -0.415 0.000 2.638 477 Y HA 0.627 5.177 4.550 0.000 0.000 0.335 477 Y C -1.199 174.539 175.900 -0.270 0.000 1.155 477 Y CA -1.361 56.406 58.100 -0.555 0.000 1.046 477 Y CB 0.631 38.896 38.460 -0.327 0.000 1.303 477 Y HN 0.001 nan 8.280 nan 0.000 0.460 478 V N 3.741 123.594 119.914 -0.100 0.000 2.350 478 V HA 0.394 4.514 4.120 0.000 0.000 0.276 478 V C 0.110 176.089 176.094 -0.191 0.000 1.028 478 V CA -0.437 61.659 62.300 -0.341 0.000 0.860 478 V CB 0.585 32.075 31.823 -0.555 0.000 0.990 478 V HN 0.734 nan 8.190 nan 0.000 0.453 479 L N 2.869 124.020 121.223 -0.120 0.000 2.805 479 L HA 0.750 5.090 4.340 0.000 0.000 0.242 479 L C 0.310 177.165 176.870 -0.024 0.000 1.180 479 L CA -0.467 54.373 54.840 0.000 0.000 1.001 479 L CB 1.502 43.599 42.059 0.065 0.000 1.864 479 L HN 0.631 nan 8.230 nan 0.000 0.551 480 S N -0.867 114.852 115.700 0.031 0.000 2.543 480 S HA 0.485 4.955 4.470 0.000 0.000 0.273 480 S C -2.737 171.900 174.600 0.061 0.000 1.152 480 S CA -1.012 57.214 58.200 0.042 0.000 0.910 480 S CB 1.865 65.080 63.200 0.026 0.000 1.105 480 S HN 0.123 nan 8.310 nan 0.000 0.465 481 P HA 0.396 nan 4.420 nan 0.000 0.269 481 P C -1.268 175.981 177.300 -0.086 0.000 1.217 481 P CA 0.036 63.083 63.100 -0.089 0.000 0.783 481 P CB 0.198 31.775 31.700 -0.205 0.000 0.898 482 F N 0.911 120.643 119.950 -0.364 0.000 2.654 482 F HA 0.440 4.967 4.527 0.000 0.000 0.308 482 F C -1.600 173.879 175.800 -0.535 0.000 1.108 482 F CA -0.770 56.935 58.000 -0.492 0.000 0.957 482 F CB 1.206 39.887 39.000 -0.532 0.000 1.309 482 F HN 0.160 nan 8.300 nan 0.000 0.446 483 Y N 4.250 124.038 120.300 -0.853 0.000 2.385 483 Y HA 0.457 5.008 4.550 0.000 0.000 0.341 483 Y C -0.920 174.647 175.900 -0.556 0.000 0.965 483 Y CA -0.771 57.035 58.100 -0.491 0.000 1.180 483 Y CB 0.446 38.625 38.460 -0.468 0.000 1.139 483 Y HN 0.387 nan 8.280 nan 0.000 0.502 484 Y N 1.211 121.561 120.300 0.084 0.000 2.488 484 Y HA 0.420 4.970 4.550 0.000 0.000 0.325 484 Y C -0.291 175.610 175.900 0.002 0.000 1.204 484 Y CA -1.081 57.063 58.100 0.073 0.000 1.229 484 Y CB 0.888 39.452 38.460 0.174 0.000 1.274 484 Y HN 0.413 nan 8.280 nan 0.000 0.493 485 Y N 0.453 120.917 120.300 0.273 0.000 2.295 485 Y HA 0.376 4.926 4.550 0.000 0.000 0.331 485 Y C 0.035 175.989 175.900 0.090 0.000 1.311 485 Y CA -0.968 57.203 58.100 0.117 0.000 1.430 485 Y CB 0.608 39.105 38.460 0.063 0.000 1.339 485 Y HN 0.423 nan 8.280 nan 0.000 0.552 486 Q N 0.348 120.258 119.800 0.184 0.000 2.495 486 Q HA 0.460 4.800 4.340 0.000 0.000 0.287 486 Q C -1.355 174.603 176.000 -0.070 0.000 1.078 486 Q CA -1.201 54.624 55.803 0.036 0.000 0.793 486 Q CB 2.591 31.322 28.738 -0.011 0.000 1.459 486 Q HN 0.343 nan 8.270 nan 0.000 0.422 487 I N 1.642 122.134 120.570 -0.131 0.000 2.529 487 I HA 0.041 4.211 4.170 0.000 0.000 0.284 487 I C 0.488 176.370 176.117 -0.392 0.000 1.082 487 I CA 0.234 61.407 61.300 -0.213 0.000 1.406 487 I CB 0.309 38.199 38.000 -0.183 0.000 1.405 487 I HN 0.617 nan 8.210 nan 0.000 0.548 488 E N 8.239 128.106 120.200 -0.555 0.000 2.585 488 E HA -0.065 4.285 4.350 0.000 0.000 0.252 488 E C -1.248 174.627 176.600 -1.208 0.000 0.981 488 E CA -0.868 54.870 56.400 -1.102 0.000 0.943 488 E CB 0.429 29.281 29.700 -1.414 0.000 0.923 488 E HN 0.403 nan 8.360 nan 0.000 0.486 489 P HA -0.200 nan 4.420 nan 0.000 0.217 489 P C 0.754 177.456 177.300 -0.996 0.000 1.148 489 P CA 1.498 63.952 63.100 -1.076 0.000 0.828 489 P CB -0.137 30.719 31.700 -1.407 0.000 0.783 490 W N 0.767 121.571 121.300 -0.828 0.000 2.825 490 W HA 0.178 4.838 4.660 0.000 0.000 0.243 490 W C 1.571 178.078 176.519 -0.019 0.000 1.293 490 W CA 0.289 57.433 57.345 -0.334 0.000 1.403 490 W CB -1.284 28.148 29.460 -0.047 0.000 1.134 490 W HN -0.091 nan 8.180 nan 0.000 0.666 491 K N 0.282 120.518 120.400 -0.274 0.000 2.323 491 K HA 0.058 4.378 4.320 0.000 0.000 0.197 491 K C 1.596 178.173 176.600 -0.039 0.000 1.043 491 K CA 1.510 57.747 56.287 -0.084 0.000 0.997 491 K CB 0.007 32.389 32.500 -0.197 0.000 0.807 491 K HN 0.283 nan 8.250 nan 0.000 0.497 492 T N -3.078 111.421 114.554 -0.092 0.000 3.043 492 T HA 0.055 4.405 4.350 0.000 0.000 0.272 492 T C 0.116 174.816 174.700 -0.001 0.000 0.990 492 T CA -0.426 61.647 62.100 -0.046 0.000 0.897 492 T CB -0.216 68.598 68.868 -0.090 0.000 1.111 492 T HN 0.048 nan 8.240 nan 0.000 0.529 493 H N 1.688 120.709 119.070 -0.083 0.000 2.886 493 H HA 0.433 4.990 4.556 0.000 0.000 0.329 493 H C -0.288 175.010 175.328 -0.049 0.000 1.044 493 H CA -0.763 55.223 56.048 -0.104 0.000 1.456 493 H CB 0.159 29.831 29.762 -0.150 0.000 1.464 493 H HN 0.317 nan 8.280 nan 0.000 0.573 494 I N 6.476 126.656 120.570 -0.649 0.000 2.307 494 I HA 0.050 4.220 4.170 0.000 0.000 0.287 494 I C -0.309 175.409 176.117 -0.664 0.000 1.054 494 I CA -0.528 60.531 61.300 -0.402 0.000 1.218 494 I CB 0.137 37.999 38.000 -0.230 0.000 1.398 494 I HN 0.528 nan 8.210 nan 0.000 0.475 495 W N 4.118 125.206 121.300 -0.352 0.000 2.170 495 W HA 0.233 4.893 4.660 0.000 0.000 0.342 495 W C 1.499 177.969 176.519 -0.081 0.000 1.294 495 W CA 0.221 57.488 57.345 -0.131 0.000 1.246 495 W CB 0.435 29.940 29.460 0.075 0.000 1.156 495 W HN 0.620 nan 8.180 nan 0.000 0.572 496 Q N 1.527 121.456 119.800 0.215 0.000 2.165 496 Q HA 0.113 4.453 4.340 0.000 0.000 0.197 496 Q C 0.792 176.877 176.000 0.141 0.000 0.952 496 Q CA 1.542 57.416 55.803 0.118 0.000 0.848 496 Q CB -1.036 27.748 28.738 0.077 0.000 0.931 496 Q HN 0.688 nan 8.270 nan 0.000 0.470 497 N N 0.000 118.821 118.700 0.202 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.125 53.050 0.125 0.000 0.885 497 N CB 0.000 38.540 38.487 0.089 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667