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 1bk6_1_B DATA FIRST_RESID 89 DATA SEQUENCE LPQMTQQLNS DDMQEQLSAT VKFRQILSRE HRPPIDVVIQ AGVVPRLVEF DATA SEQUENCE MRENQPEMLQ LEAAWALTNI ASGTSAQTKV VVDADAVPLF IQLLYTGSVE DATA SEQUENCE VKEQAIWALG NVAGDSTDYR DYVLQCNAME PILGLFNSNK PSLIRTATWT DATA SEQUENCE LSNLCRGKKP QPDWSVVSQA LPTLAKLIYS MDTETLVDAC WAISYLSDGP DATA SEQUENCE QEAIQAVIDV RIPKRLVELL SHESTLVQTP ALRAVGNIVT GNDLQTQVVI DATA SEQUENCE NAGVLPALRL LLSSPKENIK KEACWTISNI TAGNTEQIQA VIDANLIPPL DATA SEQUENCE VKLLEVAEYK TKKEACWAIS NASSGGLQRP DIIRYLVSQG CIKPLCDLLE DATA SEQUENCE IADNRIIEVT LDALENIIKM GEADKEARGL NINENADFIE KAGGMEKIFN DATA SEQUENCE CQQNENDKIY EKAYKIIETY FG 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 89 L HA 0.000 nan 4.340 nan 0.000 0.249 89 L C 0.000 176.840 176.870 -0.050 0.000 1.165 89 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 89 L CB 0.000 42.002 42.059 -0.095 0.000 0.961 90 P HA 0.111 nan 4.420 nan 0.000 0.219 90 P C 1.946 179.255 177.300 0.015 0.000 1.150 90 P CA 2.436 65.545 63.100 0.015 0.000 0.814 90 P CB 0.287 31.994 31.700 0.011 0.000 0.787 91 Q N -0.132 119.662 119.800 -0.009 0.000 2.135 91 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 91 Q C 2.068 178.068 176.000 -0.000 0.000 0.981 91 Q CA 2.273 58.071 55.803 -0.008 0.000 0.856 91 Q CB -1.681 27.042 28.738 -0.025 0.000 0.902 91 Q HN 0.303 nan 8.270 nan 0.000 0.425 92 M N 0.110 119.687 119.600 -0.038 0.000 2.086 92 M HA -0.132 4.349 4.480 0.000 0.000 0.261 92 M C 2.489 178.886 176.300 0.162 0.000 1.067 92 M CA 2.124 57.397 55.300 -0.045 0.000 1.116 92 M CB -0.426 31.957 32.600 -0.360 0.000 1.348 92 M HN 0.497 nan 8.290 nan 0.000 0.407 93 T N 0.329 115.008 114.554 0.208 0.000 2.720 93 T HA -0.201 4.149 4.350 0.000 0.000 0.268 93 T C 1.786 176.573 174.700 0.145 0.000 1.037 93 T CA 1.406 63.657 62.100 0.253 0.000 1.144 93 T CB -0.343 68.634 68.868 0.183 0.000 0.864 93 T HN 0.463 nan 8.240 nan 0.000 0.444 94 Q N 0.774 120.630 119.800 0.094 0.000 2.045 94 Q HA -0.200 4.141 4.340 0.000 0.000 0.206 94 Q C 2.643 178.688 176.000 0.076 0.000 0.991 94 Q CA 1.572 57.414 55.803 0.066 0.000 0.851 94 Q CB -0.251 28.512 28.738 0.042 0.000 0.911 94 Q HN 0.614 nan 8.270 nan 0.000 0.418 95 Q N 0.254 120.104 119.800 0.083 0.000 2.002 95 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 95 Q C 2.226 178.303 176.000 0.128 0.000 0.988 95 Q CA 1.262 57.117 55.803 0.087 0.000 0.843 95 Q CB -0.304 28.480 28.738 0.076 0.000 0.908 95 Q HN 0.255 nan 8.270 nan 0.000 0.420 96 L N 1.471 122.808 121.223 0.189 0.000 2.137 96 L HA -0.220 4.120 4.340 0.000 0.000 0.213 96 L C 1.101 178.085 176.870 0.189 0.000 1.085 96 L CA 1.633 56.615 54.840 0.235 0.000 0.760 96 L CB -0.245 41.957 42.059 0.238 0.000 0.893 96 L HN 0.223 nan 8.230 nan 0.000 0.434 97 N N -1.190 117.580 118.700 0.117 0.000 2.268 97 N HA 0.048 4.788 4.740 0.000 0.000 0.204 97 N C 0.317 175.874 175.510 0.078 0.000 1.124 97 N CA 0.192 53.289 53.050 0.078 0.000 0.838 97 N CB 0.220 38.730 38.487 0.038 0.000 0.994 97 N HN 0.237 nan 8.380 nan 0.000 0.489 98 S N 0.363 116.118 115.700 0.092 0.000 2.601 98 S HA 0.102 4.572 4.470 0.000 0.000 0.271 98 S C 0.893 175.534 174.600 0.069 0.000 1.305 98 S CA -0.406 57.834 58.200 0.066 0.000 1.022 98 S CB 1.130 64.363 63.200 0.055 0.000 0.940 98 S HN 0.083 nan 8.310 nan 0.000 0.525 99 D N 1.091 121.520 120.400 0.047 0.000 2.277 99 D HA -0.027 4.613 4.640 0.000 0.000 0.208 99 D C 0.079 176.397 176.300 0.030 0.000 0.962 99 D CA 0.561 54.586 54.000 0.042 0.000 0.865 99 D CB -0.062 40.756 40.800 0.029 0.000 0.939 99 D HN 0.596 nan 8.370 nan 0.000 0.510 100 D N 1.214 121.627 120.400 0.023 0.000 2.346 100 D HA -0.049 4.591 4.640 0.000 0.000 0.260 100 D C 1.377 177.674 176.300 -0.005 0.000 1.252 100 D CA -0.207 53.797 54.000 0.008 0.000 0.895 100 D CB 1.110 41.914 40.800 0.008 0.000 1.097 100 D HN -0.163 nan 8.370 nan 0.000 0.489 101 M N 4.527 124.114 119.600 -0.021 0.000 2.151 101 M HA -0.295 4.185 4.480 0.000 0.000 0.256 101 M C 2.003 178.262 176.300 -0.068 0.000 1.072 101 M CA 2.036 57.302 55.300 -0.057 0.000 1.090 101 M CB -0.583 31.986 32.600 -0.052 0.000 1.294 101 M HN 0.593 nan 8.290 nan 0.000 0.415 102 Q N -0.607 119.167 119.800 -0.044 0.000 2.077 102 Q HA -0.228 4.112 4.340 0.000 0.000 0.206 102 Q C 1.860 177.841 176.000 -0.031 0.000 0.989 102 Q CA 2.651 58.431 55.803 -0.038 0.000 0.853 102 Q CB -0.172 28.551 28.738 -0.024 0.000 0.907 102 Q HN 0.668 nan 8.270 nan 0.000 0.418 103 E N 0.083 120.274 120.200 -0.015 0.000 2.204 103 E HA -0.186 4.164 4.350 0.000 0.000 0.195 103 E C 1.874 178.483 176.600 0.015 0.000 0.990 103 E CA 1.319 57.721 56.400 0.003 0.000 0.821 103 E CB -0.148 29.563 29.700 0.017 0.000 0.750 103 E HN 0.605 nan 8.360 nan 0.000 0.477 104 Q N -0.596 119.196 119.800 -0.012 0.000 2.083 104 Q HA -0.005 4.336 4.340 0.000 0.000 0.198 104 Q C 2.364 178.315 176.000 -0.082 0.000 0.969 104 Q CA 1.156 56.945 55.803 -0.024 0.000 0.838 104 Q CB -0.253 28.388 28.738 -0.163 0.000 0.900 104 Q HN 0.290 nan 8.270 nan 0.000 0.436 105 L N 0.483 121.630 121.223 -0.126 0.000 2.141 105 L HA -0.106 4.234 4.340 0.000 0.000 0.209 105 L C 2.323 179.172 176.870 -0.035 0.000 1.094 105 L CA 1.681 56.457 54.840 -0.107 0.000 0.763 105 L CB -0.565 41.433 42.059 -0.101 0.000 0.908 105 L HN 0.072 nan 8.230 nan 0.000 0.437 106 S N -0.944 114.744 115.700 -0.019 0.000 2.383 106 S HA -0.097 4.373 4.470 0.000 0.000 0.227 106 S C 2.108 176.717 174.600 0.014 0.000 1.026 106 S CA 1.070 59.264 58.200 -0.010 0.000 0.981 106 S CB -0.307 62.886 63.200 -0.012 0.000 0.818 106 S HN 0.627 nan 8.310 nan 0.000 0.472 107 A N 0.451 123.312 122.820 0.068 0.000 1.897 107 A HA 0.018 4.338 4.320 0.000 0.000 0.215 107 A C 2.327 180.080 177.584 0.282 0.000 1.181 107 A CA 1.938 54.072 52.037 0.161 0.000 0.620 107 A CB -1.398 17.755 19.000 0.255 0.000 0.821 107 A HN 0.563 nan 8.150 nan 0.000 0.443 108 T N -0.276 114.414 114.554 0.227 0.000 2.833 108 T HA -0.089 4.261 4.350 0.000 0.000 0.269 108 T C 1.824 176.591 174.700 0.111 0.000 1.054 108 T CA 1.486 63.721 62.100 0.224 0.000 1.135 108 T CB -0.276 68.691 68.868 0.165 0.000 0.869 108 T HN 0.149 nan 8.240 nan 0.000 0.466 109 V N 1.129 121.061 119.914 0.031 0.000 2.323 109 V HA -0.159 3.961 4.120 0.000 0.000 0.244 109 V C 2.690 178.729 176.094 -0.092 0.000 1.041 109 V CA 1.464 63.729 62.300 -0.059 0.000 1.025 109 V CB -0.511 31.276 31.823 -0.059 0.000 0.656 109 V HN 0.336 nan 8.190 nan 0.000 0.451 110 K N -0.697 119.661 120.400 -0.069 0.000 2.032 110 K HA -0.156 4.164 4.320 0.000 0.000 0.209 110 K C 1.915 178.417 176.600 -0.164 0.000 1.048 110 K CA 1.679 57.880 56.287 -0.144 0.000 0.927 110 K CB -0.848 31.536 32.500 -0.193 0.000 0.712 110 K HN 0.531 nan 8.250 nan 0.000 0.441 111 F N 1.136 121.038 119.950 -0.081 0.000 2.126 111 F HA -0.113 4.415 4.527 0.000 0.000 0.299 111 F C 2.735 178.452 175.800 -0.138 0.000 1.096 111 F CA 1.531 59.484 58.000 -0.078 0.000 1.255 111 F CB -0.267 38.712 39.000 -0.035 0.000 0.997 111 F HN 0.010 nan 8.300 nan 0.000 0.479 112 R N 0.872 121.360 120.500 -0.021 0.000 2.115 112 R HA -0.143 4.197 4.340 0.000 0.000 0.230 112 R C 1.937 177.992 176.300 -0.407 0.000 1.111 112 R CA 1.430 57.356 56.100 -0.291 0.000 0.976 112 R CB -0.501 29.507 30.300 -0.487 0.000 0.870 112 R HN 0.393 nan 8.270 nan 0.000 0.445 113 Q N 0.389 120.006 119.800 -0.306 0.000 2.050 113 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 113 Q C 2.105 178.005 176.000 -0.166 0.000 0.980 113 Q CA 1.977 57.623 55.803 -0.261 0.000 0.840 113 Q CB -0.261 28.363 28.738 -0.191 0.000 0.898 113 Q HN 0.533 nan 8.270 nan 0.000 0.424 114 I N -2.377 118.118 120.570 -0.125 0.000 3.334 114 I HA -0.066 4.104 4.170 0.000 0.000 0.282 114 I C 1.262 177.355 176.117 -0.040 0.000 1.313 114 I CA 0.789 62.043 61.300 -0.077 0.000 1.396 114 I CB -0.056 37.897 38.000 -0.078 0.000 1.054 114 I HN 0.078 nan 8.210 nan 0.000 0.495 115 L N 0.113 121.305 121.223 -0.052 0.000 2.640 115 L HA 0.229 4.569 4.340 0.000 0.000 0.230 115 L C 1.409 178.276 176.870 -0.006 0.000 1.123 115 L CA 0.142 54.975 54.840 -0.011 0.000 0.900 115 L CB 0.164 42.226 42.059 0.004 0.000 1.146 115 L HN 0.121 nan 8.230 nan 0.000 0.484 116 S N -0.645 115.028 115.700 -0.046 0.000 2.602 116 S HA 0.245 4.715 4.470 0.000 0.000 0.240 116 S C 0.807 175.421 174.600 0.023 0.000 0.992 116 S CA -0.481 57.729 58.200 0.017 0.000 0.971 116 S CB 0.126 63.307 63.200 -0.031 0.000 0.855 116 S HN 0.251 nan 8.310 nan 0.000 0.481 117 R N 1.191 121.693 120.500 0.004 0.000 2.980 117 R HA 0.274 4.614 4.340 0.000 0.000 0.285 117 R C 1.755 178.070 176.300 0.026 0.000 1.072 117 R CA 0.719 56.824 56.100 0.007 0.000 1.203 117 R CB 0.085 30.386 30.300 0.001 0.000 1.163 117 R HN 0.364 nan 8.270 nan 0.000 0.545 118 E N -0.176 120.037 120.200 0.022 0.000 2.307 118 E HA 0.005 4.355 4.350 0.000 0.000 0.195 118 E C 1.318 177.932 176.600 0.024 0.000 0.975 118 E CA 1.286 57.702 56.400 0.028 0.000 0.878 118 E CB -0.617 29.097 29.700 0.023 0.000 0.845 118 E HN 0.762 nan 8.360 nan 0.000 0.488 119 H N -0.968 118.113 119.070 0.018 0.000 2.839 119 H HA 0.778 5.334 4.556 0.000 0.000 0.211 119 H C 1.359 176.699 175.328 0.020 0.000 1.535 119 H CA 0.272 56.330 56.048 0.017 0.000 1.621 119 H CB -0.492 29.276 29.762 0.011 0.000 1.522 119 H HN 0.729 nan 8.280 nan 0.000 0.873 120 R N 2.511 123.021 120.500 0.017 0.000 2.291 120 R HA 0.334 4.674 4.340 0.000 0.000 0.333 120 R C -2.394 173.918 176.300 0.020 0.000 1.082 120 R CA -1.005 55.108 56.100 0.021 0.000 0.948 120 R CB -1.403 28.908 30.300 0.018 0.000 1.009 120 R HN 0.836 nan 8.270 nan 0.000 0.460 121 P HA 0.109 nan 4.420 nan 0.000 0.271 121 P C -2.524 174.794 177.300 0.030 0.000 1.233 121 P CA -1.307 61.809 63.100 0.027 0.000 0.764 121 P CB 1.262 32.984 31.700 0.037 0.000 0.825 122 P HA 0.108 nan 4.420 nan 0.000 0.238 122 P C 1.167 178.494 177.300 0.045 0.000 1.729 122 P CA -0.046 63.073 63.100 0.031 0.000 1.055 122 P CB -0.165 31.549 31.700 0.024 0.000 1.980 123 I N 0.472 121.069 120.570 0.045 0.000 2.142 123 I HA -0.205 3.965 4.170 0.000 0.000 0.240 123 I C 2.059 178.205 176.117 0.048 0.000 1.078 123 I CA 1.379 62.710 61.300 0.051 0.000 1.343 123 I CB -0.442 37.589 38.000 0.052 0.000 1.046 123 I HN 0.122 nan 8.210 nan 0.000 0.405 124 D N 0.751 121.176 120.400 0.040 0.000 2.104 124 D HA -0.147 4.493 4.640 0.000 0.000 0.194 124 D C 2.370 178.693 176.300 0.038 0.000 0.994 124 D CA 1.334 55.355 54.000 0.035 0.000 0.830 124 D CB -0.224 40.594 40.800 0.029 0.000 0.959 124 D HN 0.142 nan 8.370 nan 0.000 0.452 125 V N 1.102 121.041 119.914 0.042 0.000 2.252 125 V HA -0.261 3.859 4.120 0.000 0.000 0.249 125 V C 2.772 178.910 176.094 0.073 0.000 1.056 125 V CA 1.337 63.666 62.300 0.049 0.000 1.022 125 V CB -0.762 31.089 31.823 0.046 0.000 0.641 125 V HN 0.052 nan 8.190 nan 0.000 0.445 126 V N -0.104 119.868 119.914 0.096 0.000 2.332 126 V HA -0.278 3.842 4.120 0.000 0.000 0.248 126 V C 2.203 178.327 176.094 0.051 0.000 1.055 126 V CA 2.325 64.707 62.300 0.136 0.000 1.038 126 V CB -0.593 31.322 31.823 0.152 0.000 0.651 126 V HN 0.458 nan 8.190 nan 0.000 0.450 127 I N -0.396 120.193 120.570 0.030 0.000 2.226 127 I HA -0.329 3.841 4.170 0.000 0.000 0.245 127 I C 2.665 178.784 176.117 0.003 0.000 1.100 127 I CA 1.691 62.993 61.300 0.004 0.000 1.374 127 I CB -0.491 37.517 38.000 0.013 0.000 1.057 127 I HN 0.350 nan 8.210 nan 0.000 0.413 128 Q N 0.551 120.363 119.800 0.020 0.000 2.234 128 Q HA -0.170 4.170 4.340 0.000 0.000 0.206 128 Q C 2.307 178.320 176.000 0.021 0.000 0.980 128 Q CA 1.517 57.331 55.803 0.019 0.000 0.869 128 Q CB -0.237 28.515 28.738 0.024 0.000 0.912 128 Q HN 0.589 nan 8.270 nan 0.000 0.436 129 A N 0.221 123.063 122.820 0.038 0.000 2.172 129 A HA 0.101 4.421 4.320 0.000 0.000 0.216 129 A C 1.485 179.073 177.584 0.006 0.000 1.154 129 A CA 0.895 52.962 52.037 0.049 0.000 0.701 129 A CB -0.647 18.428 19.000 0.125 0.000 0.789 129 A HN 0.470 nan 8.150 nan 0.000 0.465 130 G N -1.106 107.680 108.800 -0.023 0.000 2.272 130 G HA2 -0.196 3.764 3.960 0.000 0.000 0.280 130 G HA3 -0.196 3.764 3.960 0.000 0.000 0.280 130 G C 0.754 175.598 174.900 -0.094 0.000 1.067 130 G CA 0.906 45.976 45.100 -0.049 0.000 0.902 130 G HN 1.587 nan 8.290 nan 0.000 0.500 131 V N -3.741 116.083 119.914 -0.149 0.000 3.565 131 V HA 0.224 4.344 4.120 0.000 0.000 0.260 131 V C 2.334 178.266 176.094 -0.270 0.000 1.231 131 V CA 1.270 63.418 62.300 -0.254 0.000 1.100 131 V CB 0.085 31.630 31.823 -0.463 0.000 0.807 131 V HN 0.302 nan 8.190 nan 0.000 0.454 132 V N 2.057 121.852 119.914 -0.199 0.000 2.250 132 V HA -0.190 3.930 4.120 0.000 0.000 0.250 132 V C 0.832 176.818 176.094 -0.179 0.000 1.060 132 V CA 3.211 65.411 62.300 -0.166 0.000 1.030 132 V CB -1.947 29.817 31.823 -0.098 0.000 0.643 132 V HN 0.548 nan 8.190 nan 0.000 0.445 133 P HA -0.197 nan 4.420 nan 0.000 0.218 133 P C 1.516 178.673 177.300 -0.239 0.000 1.149 133 P CA 1.512 64.511 63.100 -0.168 0.000 0.817 133 P CB -0.042 31.581 31.700 -0.129 0.000 0.785 134 R N 0.592 120.916 120.500 -0.293 0.000 2.115 134 R HA 0.028 4.368 4.340 0.000 0.000 0.226 134 R C 2.429 178.297 176.300 -0.720 0.000 1.100 134 R CA 1.159 56.992 56.100 -0.445 0.000 0.980 134 R CB -1.636 28.439 30.300 -0.376 0.000 0.875 134 R HN 0.176 nan 8.270 nan 0.000 0.445 135 L N -0.444 120.477 121.223 -0.503 0.000 2.240 135 L HA -0.019 4.321 4.340 0.000 0.000 0.211 135 L C 1.931 178.645 176.870 -0.260 0.000 1.106 135 L CA 0.390 54.993 54.840 -0.395 0.000 0.793 135 L CB -0.131 41.807 42.059 -0.201 0.000 0.927 135 L HN -0.008 nan 8.230 nan 0.000 0.446 136 V N -0.355 119.408 119.914 -0.252 0.000 2.809 136 V HA -0.181 3.939 4.120 0.000 0.000 0.256 136 V C 2.208 178.200 176.094 -0.170 0.000 1.080 136 V CA 1.314 63.496 62.300 -0.197 0.000 1.102 136 V CB -0.375 31.331 31.823 -0.194 0.000 0.705 136 V HN 0.449 nan 8.190 nan 0.000 0.475 137 E N -0.035 120.020 120.200 -0.243 0.000 2.072 137 E HA -0.141 4.209 4.350 0.000 0.000 0.191 137 E C 1.896 178.513 176.600 0.029 0.000 0.985 137 E CA 1.073 57.383 56.400 -0.150 0.000 0.801 137 E CB -0.158 29.408 29.700 -0.223 0.000 0.750 137 E HN 0.548 nan 8.360 nan 0.000 0.452 138 F N 0.193 120.126 119.950 -0.029 0.000 2.664 138 F HA -0.050 4.477 4.527 0.000 0.000 0.297 138 F C 1.668 177.471 175.800 0.005 0.000 1.164 138 F CA 0.806 58.801 58.000 -0.008 0.000 1.472 138 F CB -0.460 38.539 39.000 -0.001 0.000 1.108 138 F HN 0.038 nan 8.300 nan 0.000 0.596 139 M N -1.127 118.564 119.600 0.151 0.000 2.419 139 M HA 0.120 4.600 4.480 0.000 0.000 0.252 139 M C 0.584 176.924 176.300 0.065 0.000 1.143 139 M CA 0.075 55.435 55.300 0.100 0.000 0.985 139 M CB 0.244 32.873 32.600 0.047 0.000 1.489 139 M HN -0.205 nan 8.290 nan 0.000 0.484 140 R N 0.360 120.900 120.500 0.068 0.000 2.637 140 R HA 0.027 4.367 4.340 0.000 0.000 0.269 140 R C 1.491 177.821 176.300 0.051 0.000 1.089 140 R CA 0.033 56.160 56.100 0.045 0.000 1.177 140 R CB 0.684 31.008 30.300 0.040 0.000 1.091 140 R HN 0.041 nan 8.270 nan 0.000 0.540 141 E N 1.719 121.941 120.200 0.037 0.000 2.055 141 E HA -0.291 4.060 4.350 0.000 0.000 0.209 141 E C 1.297 177.917 176.600 0.033 0.000 1.036 141 E CA 2.424 58.844 56.400 0.034 0.000 0.849 141 E CB -0.577 29.137 29.700 0.022 0.000 0.767 141 E HN 0.849 nan 8.360 nan 0.000 0.461 142 N N 0.573 119.291 118.700 0.030 0.000 2.443 142 N HA -0.111 4.629 4.740 0.000 0.000 0.184 142 N C 0.784 176.310 175.510 0.027 0.000 1.037 142 N CA 0.768 53.833 53.050 0.026 0.000 0.896 142 N CB -0.452 38.049 38.487 0.023 0.000 0.959 142 N HN 0.293 nan 8.380 nan 0.000 0.442 143 Q N 1.012 120.836 119.800 0.040 0.000 2.395 143 Q HA 0.233 4.573 4.340 0.000 0.000 0.271 143 Q C -2.088 173.919 176.000 0.012 0.000 1.026 143 Q CA -1.320 54.502 55.803 0.033 0.000 0.900 143 Q CB -0.154 28.627 28.738 0.072 0.000 1.266 143 Q HN 0.249 nan 8.270 nan 0.000 0.430 144 P HA -0.050 nan 4.420 nan 0.000 0.267 144 P C 0.478 177.777 177.300 -0.002 0.000 1.200 144 P CA 0.105 63.194 63.100 -0.017 0.000 0.772 144 P CB 0.544 32.216 31.700 -0.045 0.000 0.855 145 E N 2.049 122.255 120.200 0.011 0.000 2.153 145 E HA -0.231 4.120 4.350 0.000 0.000 0.194 145 E C 1.599 178.218 176.600 0.032 0.000 0.988 145 E CA 1.105 57.521 56.400 0.028 0.000 0.811 145 E CB -0.217 29.501 29.700 0.029 0.000 0.746 145 E HN 0.294 nan 8.360 nan 0.000 0.466 146 M N 0.110 119.719 119.600 0.015 0.000 2.175 146 M HA -0.070 4.410 4.480 0.000 0.000 0.264 146 M C 1.910 178.219 176.300 0.014 0.000 1.063 146 M CA 1.031 56.344 55.300 0.021 0.000 1.119 146 M CB -0.134 32.468 32.600 0.003 0.000 1.377 146 M HN 0.278 nan 8.290 nan 0.000 0.415 147 L N -0.044 121.159 121.223 -0.034 0.000 2.141 147 L HA -0.158 4.182 4.340 0.000 0.000 0.209 147 L C 2.153 179.042 176.870 0.031 0.000 1.094 147 L CA 1.816 56.604 54.840 -0.087 0.000 0.763 147 L CB -0.613 41.296 42.059 -0.251 0.000 0.908 147 L HN 0.441 nan 8.230 nan 0.000 0.437 148 Q N -1.307 118.532 119.800 0.065 0.000 2.016 148 Q HA -0.213 4.127 4.340 0.000 0.000 0.200 148 Q C 2.162 178.252 176.000 0.150 0.000 0.978 148 Q CA 1.724 57.600 55.803 0.121 0.000 0.833 148 Q CB -0.358 28.440 28.738 0.101 0.000 0.895 148 Q HN 0.448 nan 8.270 nan 0.000 0.427 149 L N 1.323 122.624 121.223 0.131 0.000 1.970 149 L HA -0.221 4.119 4.340 0.000 0.000 0.212 149 L C 2.096 179.103 176.870 0.229 0.000 1.071 149 L CA 1.884 56.819 54.840 0.158 0.000 0.751 149 L CB -0.487 41.652 42.059 0.132 0.000 0.889 149 L HN 0.120 nan 8.230 nan 0.000 0.432 150 E N 0.163 120.483 120.200 0.199 0.000 2.049 150 E HA -0.272 4.078 4.350 0.000 0.000 0.198 150 E C 2.187 178.907 176.600 0.200 0.000 1.007 150 E CA 1.563 58.077 56.400 0.191 0.000 0.809 150 E CB -0.789 28.965 29.700 0.089 0.000 0.749 150 E HN 0.648 nan 8.360 nan 0.000 0.450 151 A N 1.681 124.623 122.820 0.203 0.000 1.865 151 A HA -0.177 4.143 4.320 0.000 0.000 0.217 151 A C 2.491 180.213 177.584 0.229 0.000 1.191 151 A CA 2.741 54.911 52.037 0.222 0.000 0.623 151 A CB -0.907 18.264 19.000 0.285 0.000 0.826 151 A HN 0.299 nan 8.150 nan 0.000 0.444 152 A N -1.569 121.412 122.820 0.269 0.000 1.917 152 A HA -0.230 4.090 4.320 0.000 0.000 0.219 152 A C 2.018 179.771 177.584 0.282 0.000 1.182 152 A CA 1.803 54.044 52.037 0.340 0.000 0.633 152 A CB -0.920 18.271 19.000 0.318 0.000 0.819 152 A HN 0.865 nan 8.150 nan 0.000 0.448 153 W N 0.741 122.054 121.300 0.023 0.000 2.333 153 W HA -0.204 4.455 4.660 -0.000 0.000 0.316 153 W C 2.526 179.009 176.519 -0.061 0.000 1.215 153 W CA 2.022 59.325 57.345 -0.070 0.000 1.278 153 W CB -0.972 28.451 29.460 -0.062 0.000 1.154 153 W HN 0.413 nan 8.180 nan 0.000 0.486 154 A N 0.443 123.390 122.820 0.212 0.000 1.908 154 A HA -0.196 4.124 4.320 0.000 0.000 0.218 154 A C 2.354 180.011 177.584 0.122 0.000 1.181 154 A CA 1.956 54.042 52.037 0.082 0.000 0.627 154 A CB -1.180 17.845 19.000 0.042 0.000 0.818 154 A HN 0.341 nan 8.150 nan 0.000 0.445 155 L N 0.002 121.320 121.223 0.159 0.000 2.083 155 L HA -0.180 4.160 4.340 0.000 0.000 0.209 155 L C 3.045 180.028 176.870 0.188 0.000 1.083 155 L CA 1.819 56.771 54.840 0.186 0.000 0.752 155 L CB -0.841 41.389 42.059 0.284 0.000 0.899 155 L HN 0.707 nan 8.230 nan 0.000 0.433 156 T N -3.511 111.121 114.554 0.131 0.000 2.788 156 T HA -0.140 4.210 4.350 0.000 0.000 0.268 156 T C 1.688 176.405 174.700 0.029 0.000 1.044 156 T CA 1.336 63.441 62.100 0.009 0.000 1.139 156 T CB -0.349 68.393 68.868 -0.209 0.000 0.867 156 T HN 0.219 nan 8.240 nan 0.000 0.454 157 N N 1.297 120.028 118.700 0.051 0.000 2.331 157 N HA 0.170 4.910 4.740 0.000 0.000 0.180 157 N C 1.856 177.417 175.510 0.085 0.000 1.019 157 N CA 0.729 53.816 53.050 0.063 0.000 0.881 157 N CB -0.350 38.187 38.487 0.082 0.000 0.972 157 N HN 0.481 nan 8.380 nan 0.000 0.435 158 I N 0.651 121.275 120.570 0.090 0.000 2.394 158 I HA -0.129 4.041 4.170 0.000 0.000 0.251 158 I C 1.651 177.830 176.117 0.103 0.000 1.136 158 I CA 0.603 61.955 61.300 0.085 0.000 1.425 158 I CB -0.130 37.914 38.000 0.072 0.000 1.079 158 I HN 0.027 nan 8.210 nan 0.000 0.425 159 A N 0.142 123.038 122.820 0.126 0.000 2.259 159 A HA 0.006 4.326 4.320 0.000 0.000 0.208 159 A C 1.889 179.571 177.584 0.163 0.000 1.201 159 A CA 0.840 52.967 52.037 0.150 0.000 0.824 159 A CB -0.466 18.639 19.000 0.175 0.000 0.838 159 A HN 0.460 nan 8.150 nan 0.000 0.485 160 S N -1.657 114.132 115.700 0.148 0.000 2.557 160 S HA 0.395 4.865 4.470 0.000 0.000 0.223 160 S C 1.102 175.780 174.600 0.130 0.000 0.969 160 S CA 0.208 58.508 58.200 0.166 0.000 0.927 160 S CB 0.021 63.325 63.200 0.172 0.000 0.806 160 S HN 0.484 nan 8.310 nan 0.000 0.489 161 G N 2.110 110.977 108.800 0.112 0.000 2.928 161 G HA2 0.444 4.405 3.960 0.000 0.000 0.163 161 G HA3 0.444 4.405 3.960 0.000 0.000 0.163 161 G C 0.284 175.235 174.900 0.085 0.000 1.573 161 G CA 0.189 45.343 45.100 0.089 0.000 1.084 161 G HN 0.534 nan 8.290 nan 0.000 0.569 162 T N -2.519 112.078 114.554 0.071 0.000 2.847 162 T HA 0.362 4.713 4.350 0.000 0.000 0.279 162 T C 1.438 176.181 174.700 0.071 0.000 0.984 162 T CA 0.391 62.527 62.100 0.060 0.000 0.988 162 T CB 1.334 70.228 68.868 0.043 0.000 1.040 162 T HN 0.166 nan 8.240 nan 0.000 0.528 163 S N 0.535 116.265 115.700 0.050 0.000 2.400 163 S HA -0.081 4.390 4.470 0.000 0.000 0.232 163 S C 2.419 177.063 174.600 0.073 0.000 1.025 163 S CA 1.064 59.294 58.200 0.049 0.000 0.993 163 S CB -0.965 62.225 63.200 -0.017 0.000 0.808 163 S HN 0.865 nan 8.310 nan 0.000 0.478 164 A N 1.507 124.359 122.820 0.053 0.000 1.877 164 A HA -0.167 4.153 4.320 0.000 0.000 0.216 164 A C 2.095 179.721 177.584 0.070 0.000 1.186 164 A CA 1.343 53.412 52.037 0.053 0.000 0.620 164 A CB -0.590 18.431 19.000 0.035 0.000 0.822 164 A HN 0.567 nan 8.150 nan 0.000 0.443 165 Q N -0.973 118.870 119.800 0.071 0.000 2.224 165 Q HA -0.084 4.256 4.340 0.000 0.000 0.203 165 Q C 1.883 177.943 176.000 0.099 0.000 0.970 165 Q CA 1.625 57.472 55.803 0.074 0.000 0.865 165 Q CB -0.297 28.483 28.738 0.069 0.000 0.922 165 Q HN 0.632 nan 8.270 nan 0.000 0.445 166 T N 0.999 115.634 114.554 0.135 0.000 2.985 166 T HA -0.080 4.270 4.350 0.000 0.000 0.266 166 T C 1.630 176.444 174.700 0.191 0.000 1.076 166 T CA 0.854 63.062 62.100 0.180 0.000 1.135 166 T CB 0.028 69.045 68.868 0.248 0.000 0.890 166 T HN 0.233 nan 8.240 nan 0.000 0.480 167 K N 1.246 121.768 120.400 0.203 0.000 2.097 167 K HA -0.061 4.259 4.320 0.000 0.000 0.205 167 K C 2.102 178.749 176.600 0.080 0.000 1.050 167 K CA 0.884 57.284 56.287 0.190 0.000 0.938 167 K CB -0.247 32.356 32.500 0.172 0.000 0.718 167 K HN 0.124 nan 8.250 nan 0.000 0.442 168 V N 1.020 120.972 119.914 0.063 0.000 2.282 168 V HA -0.258 3.862 4.120 0.000 0.000 0.249 168 V C 2.343 178.443 176.094 0.010 0.000 1.057 168 V CA 1.740 64.056 62.300 0.027 0.000 1.032 168 V CB -0.316 31.520 31.823 0.023 0.000 0.645 168 V HN 0.181 nan 8.190 nan 0.000 0.447 169 V N -0.573 119.359 119.914 0.030 0.000 2.427 169 V HA -0.164 3.956 4.120 0.000 0.000 0.248 169 V C 2.349 178.438 176.094 -0.007 0.000 1.051 169 V CA 1.579 63.892 62.300 0.023 0.000 1.048 169 V CB -0.205 31.673 31.823 0.092 0.000 0.666 169 V HN 0.415 nan 8.190 nan 0.000 0.456 170 V N -0.047 119.853 119.914 -0.023 0.000 2.453 170 V HA -0.181 3.939 4.120 0.000 0.000 0.247 170 V C 2.149 178.196 176.094 -0.079 0.000 1.048 170 V CA 1.849 64.094 62.300 -0.091 0.000 1.049 170 V CB -0.587 31.034 31.823 -0.337 0.000 0.672 170 V HN 0.537 nan 8.190 nan 0.000 0.457 171 D N 0.678 121.044 120.400 -0.057 0.000 2.310 171 D HA -0.035 4.605 4.640 0.000 0.000 0.212 171 D C 1.866 178.135 176.300 -0.052 0.000 0.965 171 D CA 1.296 55.264 54.000 -0.052 0.000 0.879 171 D CB 0.001 40.784 40.800 -0.028 0.000 0.921 171 D HN 0.470 nan 8.370 nan 0.000 0.510 172 A N 0.455 123.242 122.820 -0.056 0.000 2.302 172 A HA -0.014 4.306 4.320 0.000 0.000 0.219 172 A C 0.290 177.823 177.584 -0.086 0.000 1.243 172 A CA 0.064 52.057 52.037 -0.073 0.000 0.856 172 A CB 0.083 19.031 19.000 -0.086 0.000 0.893 172 A HN -0.016 nan 8.150 nan 0.000 0.491 173 D N -2.303 118.059 120.400 -0.064 0.000 2.945 173 D HA -0.232 4.408 4.640 0.000 0.000 0.225 173 D C 1.079 177.305 176.300 -0.122 0.000 1.158 173 D CA 0.885 54.855 54.000 -0.051 0.000 0.805 173 D CB -1.355 39.417 40.800 -0.046 0.000 1.098 173 D HN 0.617 nan 8.370 nan 0.000 0.426 174 A N -0.255 122.447 122.820 -0.196 0.000 2.014 174 A HA -0.025 4.296 4.320 0.000 0.000 0.218 174 A C 2.403 179.658 177.584 -0.549 0.000 1.163 174 A CA 1.350 53.108 52.037 -0.465 0.000 0.652 174 A CB -0.077 18.588 19.000 -0.559 0.000 0.808 174 A HN 0.245 nan 8.150 nan 0.000 0.449 175 V N 1.444 121.251 119.914 -0.178 0.000 2.231 175 V HA -0.201 3.919 4.120 0.000 0.000 0.248 175 V C 0.092 176.149 176.094 -0.062 0.000 1.054 175 V CA 2.613 64.897 62.300 -0.027 0.000 1.015 175 V CB -1.624 30.152 31.823 -0.077 0.000 0.638 175 V HN 0.477 nan 8.190 nan 0.000 0.444 176 P HA -0.168 nan 4.420 nan 0.000 0.218 176 P C 1.834 179.119 177.300 -0.024 0.000 1.148 176 P CA 1.614 64.686 63.100 -0.047 0.000 0.822 176 P CB -0.020 31.663 31.700 -0.028 0.000 0.784 177 L N -2.383 118.786 121.223 -0.090 0.000 2.131 177 L HA -0.072 4.268 4.340 0.000 0.000 0.206 177 L C 2.701 179.589 176.870 0.029 0.000 1.087 177 L CA 0.979 55.777 54.840 -0.069 0.000 0.767 177 L CB -0.888 41.074 42.059 -0.162 0.000 0.917 177 L HN -0.163 nan 8.230 nan 0.000 0.441 178 F N 0.446 120.404 119.950 0.013 0.000 2.126 178 F HA -0.228 4.299 4.527 0.000 0.000 0.299 178 F C 2.398 178.201 175.800 0.005 0.000 1.096 178 F CA 1.135 59.143 58.000 0.013 0.000 1.255 178 F CB -0.686 38.316 39.000 0.003 0.000 0.997 178 F HN -0.027 nan 8.300 nan 0.000 0.479 179 I N 0.014 120.699 120.570 0.192 0.000 2.315 179 I HA -0.288 3.883 4.170 0.000 0.000 0.248 179 I C 2.458 178.660 176.117 0.142 0.000 1.117 179 I CA 1.378 62.740 61.300 0.103 0.000 1.404 179 I CB -0.651 37.388 38.000 0.065 0.000 1.071 179 I HN 0.258 nan 8.210 nan 0.000 0.419 180 Q N 1.015 120.918 119.800 0.172 0.000 2.297 180 Q HA -0.102 4.238 4.340 0.000 0.000 0.204 180 Q C 2.090 178.211 176.000 0.202 0.000 0.962 180 Q CA 1.111 57.054 55.803 0.233 0.000 0.879 180 Q CB -0.298 28.521 28.738 0.135 0.000 0.947 180 Q HN 0.496 nan 8.270 nan 0.000 0.462 181 L N 0.529 121.843 121.223 0.153 0.000 2.291 181 L HA -0.063 4.277 4.340 0.000 0.000 0.214 181 L C 2.240 179.162 176.870 0.088 0.000 1.120 181 L CA 0.515 55.433 54.840 0.129 0.000 0.799 181 L CB -0.242 41.909 42.059 0.153 0.000 0.925 181 L HN 0.289 nan 8.230 nan 0.000 0.446 182 L N -1.720 119.527 121.223 0.040 0.000 2.131 182 L HA -0.230 4.110 4.340 0.000 0.000 0.210 182 L C 2.340 179.153 176.870 -0.094 0.000 1.092 182 L CA 1.364 56.160 54.840 -0.074 0.000 0.759 182 L CB -0.478 41.471 42.059 -0.183 0.000 0.903 182 L HN 0.216 nan 8.230 nan 0.000 0.435 183 Y N -0.080 120.235 120.300 0.023 0.000 2.163 183 Y HA -0.165 4.385 4.550 0.000 0.000 0.288 183 Y C 3.112 179.023 175.900 0.018 0.000 1.112 183 Y CA 1.679 59.789 58.100 0.017 0.000 1.104 183 Y CB -0.877 37.593 38.460 0.016 0.000 1.016 183 Y HN 0.190 nan 8.280 nan 0.000 0.497 184 T N -1.911 112.770 114.554 0.211 0.000 2.851 184 T HA 0.104 4.455 4.350 0.000 0.000 0.262 184 T C 1.486 176.236 174.700 0.083 0.000 1.043 184 T CA 0.526 62.698 62.100 0.120 0.000 1.140 184 T CB -1.200 67.725 68.868 0.096 0.000 0.872 184 T HN 0.237 nan 8.240 nan 0.000 0.446 185 G N 2.011 110.859 108.800 0.080 0.000 2.630 185 G HA2 0.365 4.325 3.960 0.000 0.000 0.236 185 G HA3 0.365 4.325 3.960 0.000 0.000 0.236 185 G C 0.417 175.342 174.900 0.043 0.000 1.248 185 G CA 0.011 45.147 45.100 0.060 0.000 0.844 185 G HN 0.806 nan 8.290 nan 0.000 0.588 186 S N -0.441 115.281 115.700 0.036 0.000 2.632 186 S HA 0.052 4.522 4.470 0.000 0.000 0.254 186 S C 1.571 176.179 174.600 0.014 0.000 1.291 186 S CA 0.110 58.324 58.200 0.024 0.000 0.974 186 S CB 0.631 63.846 63.200 0.024 0.000 1.016 186 S HN 0.444 nan 8.310 nan 0.000 0.579 187 V N 1.355 121.272 119.914 0.005 0.000 2.488 187 V HA -0.065 4.055 4.120 0.000 0.000 0.246 187 V C 2.681 178.770 176.094 -0.009 0.000 1.046 187 V CA 1.887 64.181 62.300 -0.009 0.000 1.053 187 V CB -1.313 30.502 31.823 -0.014 0.000 0.679 187 V HN 0.817 nan 8.190 nan 0.000 0.458 188 E N 0.189 120.389 120.200 -0.001 0.000 2.051 188 E HA -0.182 4.168 4.350 0.000 0.000 0.192 188 E C 2.288 178.889 176.600 0.002 0.000 0.991 188 E CA 1.533 57.931 56.400 -0.004 0.000 0.799 188 E CB -0.296 29.409 29.700 0.009 0.000 0.748 188 E HN 0.416 nan 8.360 nan 0.000 0.449 189 V N 1.808 121.736 119.914 0.023 0.000 2.287 189 V HA -0.298 3.822 4.120 0.000 0.000 0.248 189 V C 2.152 178.264 176.094 0.031 0.000 1.053 189 V CA 1.918 64.243 62.300 0.042 0.000 1.027 189 V CB -0.437 31.421 31.823 0.058 0.000 0.646 189 V HN 0.216 nan 8.190 nan 0.000 0.447 190 K N -0.570 119.838 120.400 0.014 0.000 2.063 190 K HA -0.221 4.099 4.320 0.000 0.000 0.208 190 K C 2.262 178.854 176.600 -0.014 0.000 1.048 190 K CA 1.444 57.727 56.287 -0.006 0.000 0.928 190 K CB -0.280 32.201 32.500 -0.032 0.000 0.713 190 K HN 0.361 nan 8.250 nan 0.000 0.442 191 E N 0.956 121.149 120.200 -0.013 0.000 2.086 191 E HA -0.232 4.118 4.350 0.000 0.000 0.200 191 E C 2.143 178.774 176.600 0.052 0.000 1.012 191 E CA 1.461 57.865 56.400 0.006 0.000 0.812 191 E CB 0.073 29.767 29.700 -0.009 0.000 0.743 191 E HN 0.269 nan 8.360 nan 0.000 0.453 192 Q N -0.365 119.435 119.800 0.000 0.000 2.046 192 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 192 Q C 2.104 178.076 176.000 -0.047 0.000 0.975 192 Q CA 1.296 57.077 55.803 -0.037 0.000 0.836 192 Q CB -0.560 28.149 28.738 -0.048 0.000 0.896 192 Q HN 0.275 nan 8.270 nan 0.000 0.428 193 A N 0.848 123.641 122.820 -0.044 0.000 1.883 193 A HA -0.189 4.131 4.320 0.000 0.000 0.217 193 A C 2.115 179.595 177.584 -0.174 0.000 1.186 193 A CA 1.544 53.502 52.037 -0.132 0.000 0.624 193 A CB -0.706 18.312 19.000 0.029 0.000 0.822 193 A HN 0.336 nan 8.150 nan 0.000 0.444 194 I N -1.500 119.036 120.570 -0.056 0.000 2.361 194 I HA -0.180 3.990 4.170 0.000 0.000 0.251 194 I C 2.115 178.255 176.117 0.039 0.000 1.133 194 I CA 0.820 62.095 61.300 -0.042 0.000 1.413 194 I CB -0.332 37.640 38.000 -0.048 0.000 1.073 194 I HN 0.636 nan 8.210 nan 0.000 0.424 195 W N 1.419 122.665 121.300 -0.089 0.000 2.378 195 W HA -0.164 4.496 4.660 0.000 0.000 0.313 195 W C 2.439 178.933 176.519 -0.040 0.000 1.197 195 W CA 2.258 59.624 57.345 0.036 0.000 1.304 195 W CB -1.056 28.384 29.460 -0.034 0.000 1.148 195 W HN 0.256 nan 8.180 nan 0.000 0.494 196 A N 0.872 123.717 122.820 0.042 0.000 1.865 196 A HA -0.233 4.088 4.320 0.000 0.000 0.217 196 A C 2.301 179.772 177.584 -0.189 0.000 1.191 196 A CA 2.190 54.074 52.037 -0.256 0.000 0.623 196 A CB -1.284 17.050 19.000 -1.110 0.000 0.826 196 A HN 0.326 nan 8.150 nan 0.000 0.444 197 L N -0.613 120.446 121.223 -0.274 0.000 2.127 197 L HA -0.184 4.156 4.340 0.000 0.000 0.211 197 L C 2.779 179.585 176.870 -0.108 0.000 1.089 197 L CA 1.015 55.780 54.840 -0.126 0.000 0.757 197 L CB -0.801 41.193 42.059 -0.109 0.000 0.899 197 L HN 0.532 nan 8.230 nan 0.000 0.434 198 G N -0.218 108.501 108.800 -0.135 0.000 2.418 198 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 198 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 198 G C 1.419 176.175 174.900 -0.240 0.000 1.158 198 G CA 0.672 45.508 45.100 -0.439 0.000 0.771 198 G HN 0.327 nan 8.290 nan 0.000 0.545 199 N N 0.354 119.126 118.700 0.121 0.000 2.142 199 N HA -0.086 4.654 4.740 0.000 0.000 0.186 199 N C 2.365 177.962 175.510 0.146 0.000 1.023 199 N CA 1.088 54.270 53.050 0.219 0.000 0.852 199 N CB -0.391 38.279 38.487 0.305 0.000 0.998 199 N HN 0.199 nan 8.380 nan 0.000 0.424 200 V N 1.808 121.793 119.914 0.119 0.000 2.261 200 V HA -0.173 3.947 4.120 0.000 0.000 0.246 200 V C 2.432 178.628 176.094 0.170 0.000 1.047 200 V CA 1.850 64.245 62.300 0.158 0.000 1.015 200 V CB -0.999 30.884 31.823 0.100 0.000 0.642 200 V HN 0.279 nan 8.190 nan 0.000 0.446 201 A N 0.291 123.143 122.820 0.053 0.000 2.076 201 A HA -0.083 4.238 4.320 0.000 0.000 0.220 201 A C 2.221 179.803 177.584 -0.004 0.000 1.160 201 A CA 1.767 53.816 52.037 0.020 0.000 0.653 201 A CB -0.883 18.067 19.000 -0.083 0.000 0.801 201 A HN 0.585 nan 8.150 nan 0.000 0.455 202 G N -1.021 107.768 108.800 -0.018 0.000 2.777 202 G HA2 -0.013 3.947 3.960 0.000 0.000 0.211 202 G HA3 -0.013 3.947 3.960 0.000 0.000 0.211 202 G C 1.053 175.978 174.900 0.041 0.000 1.149 202 G CA 0.987 46.077 45.100 -0.016 0.000 0.785 202 G HN 0.586 nan 8.290 nan 0.000 0.536 203 D N 0.234 120.695 120.400 0.102 0.000 2.103 203 D HA 0.011 4.651 4.640 0.000 0.000 0.199 203 D C 1.350 177.628 176.300 -0.037 0.000 0.978 203 D CA 1.415 55.462 54.000 0.077 0.000 0.829 203 D CB 0.266 41.184 40.800 0.197 0.000 0.981 203 D HN 0.355 nan 8.370 nan 0.000 0.464 204 S N -2.873 112.793 115.700 -0.056 0.000 2.565 204 S HA 0.246 4.716 4.470 0.000 0.000 0.269 204 S C 0.804 175.375 174.600 -0.049 0.000 1.153 204 S CA -0.145 57.980 58.200 -0.126 0.000 0.835 204 S CB 0.985 63.996 63.200 -0.315 0.000 1.122 204 S HN 0.133 nan 8.310 nan 0.000 0.462 205 T N -1.461 113.061 114.554 -0.054 0.000 2.929 205 T HA -0.110 4.240 4.350 0.000 0.000 0.271 205 T C 0.865 175.582 174.700 0.027 0.000 1.085 205 T CA 1.666 63.756 62.100 -0.016 0.000 1.125 205 T CB -0.718 68.133 68.868 -0.028 0.000 0.874 205 T HN 0.611 nan 8.240 nan 0.000 0.494 206 D N 0.590 120.995 120.400 0.008 0.000 2.085 206 D HA -0.060 4.580 4.640 0.000 0.000 0.199 206 D C 1.978 178.442 176.300 0.274 0.000 0.981 206 D CA 1.157 55.204 54.000 0.079 0.000 0.834 206 D CB -0.340 40.450 40.800 -0.016 0.000 0.992 206 D HN 0.341 nan 8.370 nan 0.000 0.457 207 Y N 1.582 121.929 120.300 0.078 0.000 2.165 207 Y HA -0.122 4.428 4.550 0.000 0.000 0.286 207 Y C 2.499 178.471 175.900 0.121 0.000 1.155 207 Y CA 0.488 58.676 58.100 0.147 0.000 1.164 207 Y CB -0.882 37.645 38.460 0.113 0.000 0.978 207 Y HN -0.027 nan 8.280 nan 0.000 0.513 208 R N 0.598 121.230 120.500 0.220 0.000 2.096 208 R HA -0.185 4.155 4.340 0.000 0.000 0.240 208 R C 1.502 177.858 176.300 0.095 0.000 1.139 208 R CA 2.116 58.276 56.100 0.099 0.000 0.952 208 R CB -0.234 30.088 30.300 0.037 0.000 0.854 208 R HN 0.280 nan 8.270 nan 0.000 0.436 209 D N -0.571 119.903 120.400 0.123 0.000 2.183 209 D HA -0.167 4.474 4.640 0.000 0.000 0.203 209 D C 1.657 178.053 176.300 0.159 0.000 0.969 209 D CA 0.844 54.911 54.000 0.113 0.000 0.842 209 D CB -0.404 40.458 40.800 0.103 0.000 0.957 209 D HN 0.275 nan 8.370 nan 0.000 0.484 210 Y N 2.353 122.697 120.300 0.074 0.000 2.097 210 Y HA -0.235 4.315 4.550 0.000 0.000 0.282 210 Y C 2.208 178.124 175.900 0.027 0.000 1.152 210 Y CA 0.913 59.044 58.100 0.052 0.000 1.136 210 Y CB -0.656 37.838 38.460 0.057 0.000 0.975 210 Y HN -0.226 nan 8.280 nan 0.000 0.498 211 V N 0.669 120.511 119.914 -0.120 0.000 2.332 211 V HA -0.342 3.778 4.120 0.000 0.000 0.248 211 V C 2.636 178.651 176.094 -0.133 0.000 1.055 211 V CA 2.132 64.302 62.300 -0.216 0.000 1.038 211 V CB -0.891 30.875 31.823 -0.094 0.000 0.651 211 V HN 0.450 nan 8.190 nan 0.000 0.450 212 L N -0.807 120.385 121.223 -0.051 0.000 2.083 212 L HA -0.199 4.141 4.340 0.000 0.000 0.209 212 L C 2.503 179.356 176.870 -0.028 0.000 1.083 212 L CA 1.257 56.077 54.840 -0.034 0.000 0.752 212 L CB -0.449 41.606 42.059 -0.008 0.000 0.899 212 L HN 0.309 nan 8.230 nan 0.000 0.433 213 Q N -1.262 118.531 119.800 -0.011 0.000 2.472 213 Q HA -0.046 4.294 4.340 0.000 0.000 0.208 213 Q C 1.730 177.716 176.000 -0.023 0.000 0.958 213 Q CA 0.669 56.480 55.803 0.012 0.000 0.932 213 Q CB -0.200 28.586 28.738 0.078 0.000 1.007 213 Q HN 0.432 nan 8.270 nan 0.000 0.508 214 C N -0.103 119.132 119.300 -0.107 0.000 2.625 214 C HA 0.132 4.592 4.460 0.000 0.000 0.285 214 C C 0.775 175.733 174.990 -0.054 0.000 1.279 214 C CA 0.257 59.205 59.018 -0.118 0.000 1.698 214 C CB -1.876 25.703 27.740 -0.269 0.000 1.821 214 C HN 0.653 nan 8.230 nan 0.000 0.600 215 N N -0.130 118.550 118.700 -0.034 0.000 2.738 215 N HA -0.251 4.489 4.740 0.000 0.000 0.249 215 N C 0.549 176.057 175.510 -0.004 0.000 1.047 215 N CA 0.872 53.919 53.050 -0.005 0.000 0.707 215 N CB -1.310 37.192 38.487 0.024 0.000 0.937 215 N HN 0.768 nan 8.380 nan 0.000 0.545 216 A N -0.713 122.085 122.820 -0.037 0.000 2.067 216 A HA 0.128 4.448 4.320 0.000 0.000 0.217 216 A C 2.070 179.623 177.584 -0.051 0.000 1.156 216 A CA 1.619 53.627 52.037 -0.048 0.000 0.683 216 A CB -0.324 18.637 19.000 -0.064 0.000 0.808 216 A HN 0.778 nan 8.150 nan 0.000 0.455 217 M N 0.670 120.247 119.600 -0.039 0.000 2.159 217 M HA -0.084 4.396 4.480 0.000 0.000 0.263 217 M C 1.995 178.279 176.300 -0.028 0.000 1.063 217 M CA 2.227 57.506 55.300 -0.035 0.000 1.110 217 M CB -0.790 31.784 32.600 -0.043 0.000 1.374 217 M HN 0.535 nan 8.290 nan 0.000 0.411 218 E N 1.141 121.332 120.200 -0.015 0.000 2.007 218 E HA -0.160 4.190 4.350 0.000 0.000 0.194 218 E C -0.132 176.435 176.600 -0.055 0.000 0.999 218 E CA 1.808 58.211 56.400 0.005 0.000 0.811 218 E CB -2.967 26.781 29.700 0.080 0.000 0.762 218 E HN 0.624 nan 8.360 nan 0.000 0.450 219 P HA -0.064 nan 4.420 nan 0.000 0.218 219 P C 1.667 178.842 177.300 -0.209 0.000 1.149 219 P CA 1.297 64.135 63.100 -0.437 0.000 0.817 219 P CB -0.118 31.013 31.700 -0.949 0.000 0.785 220 I N -0.386 120.117 120.570 -0.111 0.000 2.208 220 I HA -0.225 3.945 4.170 0.000 0.000 0.245 220 I C 2.631 178.840 176.117 0.153 0.000 1.097 220 I CA 1.244 62.540 61.300 -0.005 0.000 1.363 220 I CB -0.618 37.401 38.000 0.032 0.000 1.051 220 I HN -0.136 nan 8.210 nan 0.000 0.413 221 L N 0.308 121.609 121.223 0.130 0.000 2.191 221 L HA -0.131 4.209 4.340 0.000 0.000 0.212 221 L C 2.545 179.555 176.870 0.233 0.000 1.103 221 L CA 1.274 56.237 54.840 0.205 0.000 0.769 221 L CB -0.911 41.175 42.059 0.045 0.000 0.908 221 L HN 0.332 nan 8.230 nan 0.000 0.438 222 G N -0.216 108.638 108.800 0.091 0.000 2.448 222 G HA2 -0.141 3.819 3.960 0.000 0.000 0.218 222 G HA3 -0.141 3.819 3.960 0.000 0.000 0.218 222 G C 1.601 176.513 174.900 0.020 0.000 1.135 222 G CA 0.106 45.236 45.100 0.050 0.000 0.784 222 G HN 0.238 nan 8.290 nan 0.000 0.543 223 L N -0.512 120.681 121.223 -0.049 0.000 2.127 223 L HA -0.028 4.312 4.340 0.000 0.000 0.211 223 L C 2.325 179.036 176.870 -0.266 0.000 1.089 223 L CA 0.708 55.423 54.840 -0.207 0.000 0.757 223 L CB -0.425 41.415 42.059 -0.364 0.000 0.899 223 L HN 0.146 nan 8.230 nan 0.000 0.434 224 F N 0.105 120.038 119.950 -0.028 0.000 2.699 224 F HA -0.084 4.444 4.527 0.000 0.000 0.298 224 F C 2.486 178.279 175.800 -0.012 0.000 1.154 224 F CA 0.992 58.981 58.000 -0.017 0.000 1.457 224 F CB -1.279 37.711 39.000 -0.017 0.000 1.106 224 F HN 0.240 nan 8.300 nan 0.000 0.585 225 N N 0.108 118.870 118.700 0.103 0.000 2.449 225 N HA 0.079 4.819 4.740 0.000 0.000 0.191 225 N C 0.899 176.425 175.510 0.027 0.000 1.161 225 N CA 0.568 53.656 53.050 0.065 0.000 0.863 225 N CB -0.545 37.972 38.487 0.050 0.000 0.980 225 N HN 0.302 nan 8.380 nan 0.000 0.458 226 S N -2.952 112.747 115.700 -0.001 0.000 2.730 226 S HA 0.533 5.003 4.470 0.000 0.000 0.284 226 S C 1.215 175.811 174.600 -0.007 0.000 1.153 226 S CA 0.185 58.375 58.200 -0.017 0.000 0.995 226 S CB 0.863 64.034 63.200 -0.049 0.000 1.058 226 S HN 0.574 nan 8.310 nan 0.000 0.552 227 N N -0.392 118.303 118.700 -0.008 0.000 2.415 227 N HA 0.149 4.889 4.740 0.000 0.000 0.174 227 N C 0.627 176.132 175.510 -0.009 0.000 1.048 227 N CA 0.200 53.249 53.050 -0.001 0.000 0.895 227 N CB -0.343 38.145 38.487 0.002 0.000 1.036 227 N HN 0.749 nan 8.380 nan 0.000 0.449 228 K N 2.251 122.638 120.400 -0.022 0.000 2.351 228 K HA 0.072 4.393 4.320 0.000 0.000 0.287 228 K C -1.476 175.103 176.600 -0.035 0.000 1.068 228 K CA -1.260 55.011 56.287 -0.027 0.000 0.998 228 K CB 0.997 33.478 32.500 -0.032 0.000 0.968 228 K HN 0.171 nan 8.250 nan 0.000 0.464 229 P HA -0.254 nan 4.420 nan 0.000 0.216 229 P C 1.069 178.348 177.300 -0.035 0.000 1.153 229 P CA 1.552 64.641 63.100 -0.018 0.000 0.858 229 P CB 0.129 31.825 31.700 -0.006 0.000 0.789 230 S N 0.331 116.007 115.700 -0.039 0.000 2.359 230 S HA -0.180 4.290 4.470 0.000 0.000 0.224 230 S C 2.120 176.678 174.600 -0.070 0.000 1.035 230 S CA 1.363 59.532 58.200 -0.051 0.000 1.018 230 S CB -1.767 61.410 63.200 -0.038 0.000 0.876 230 S HN 0.057 nan 8.310 nan 0.000 0.448 231 L N 1.578 122.755 121.223 -0.077 0.000 2.046 231 L HA 0.184 4.524 4.340 0.000 0.000 0.208 231 L C 2.239 179.004 176.870 -0.175 0.000 1.077 231 L CA 1.496 56.270 54.840 -0.110 0.000 0.747 231 L CB -0.634 41.357 42.059 -0.113 0.000 0.896 231 L HN 0.409 nan 8.230 nan 0.000 0.432 232 I N -0.815 119.654 120.570 -0.169 0.000 2.493 232 I HA -0.228 3.942 4.170 0.000 0.000 0.254 232 I C 2.650 178.718 176.117 -0.082 0.000 1.160 232 I CA 0.940 62.114 61.300 -0.211 0.000 1.445 232 I CB -0.337 37.610 38.000 -0.089 0.000 1.086 232 I HN 0.330 nan 8.210 nan 0.000 0.433 233 R N 0.497 120.966 120.500 -0.053 0.000 2.093 233 R HA -0.102 4.238 4.340 0.000 0.000 0.224 233 R C 2.148 178.439 176.300 -0.016 0.000 1.101 233 R CA 1.633 57.722 56.100 -0.018 0.000 0.979 233 R CB -0.071 30.199 30.300 -0.050 0.000 0.877 233 R HN 0.208 nan 8.270 nan 0.000 0.441 234 T N 0.403 114.915 114.554 -0.070 0.000 2.857 234 T HA 0.012 4.362 4.350 0.000 0.000 0.266 234 T C 1.740 176.469 174.700 0.048 0.000 1.048 234 T CA 1.056 63.130 62.100 -0.042 0.000 1.139 234 T CB -0.063 68.737 68.868 -0.114 0.000 0.874 234 T HN 0.376 nan 8.240 nan 0.000 0.455 235 A N 1.331 124.114 122.820 -0.061 0.000 1.969 235 A HA -0.067 4.253 4.320 0.000 0.000 0.218 235 A C 2.482 180.170 177.584 0.172 0.000 1.169 235 A CA 1.664 53.656 52.037 -0.076 0.000 0.635 235 A CB -0.993 17.709 19.000 -0.496 0.000 0.810 235 A HN 0.447 nan 8.150 nan 0.000 0.445 236 T N -1.618 113.072 114.554 0.227 0.000 2.857 236 T HA -0.138 4.213 4.350 0.000 0.000 0.266 236 T C 1.454 176.275 174.700 0.201 0.000 1.048 236 T CA 1.295 63.571 62.100 0.294 0.000 1.139 236 T CB -0.280 68.741 68.868 0.256 0.000 0.874 236 T HN 0.779 nan 8.240 nan 0.000 0.455 237 W N 2.315 123.609 121.300 -0.010 0.000 2.352 237 W HA -0.163 4.497 4.660 0.000 0.000 0.322 237 W C 2.200 178.703 176.519 -0.027 0.000 1.208 237 W CA 1.633 58.949 57.345 -0.049 0.000 1.286 237 W CB -1.101 28.268 29.460 -0.152 0.000 1.167 237 W HN 0.071 nan 8.180 nan 0.000 0.469 238 T N 2.048 116.361 114.554 -0.402 0.000 2.685 238 T HA -0.309 4.041 4.350 0.000 0.000 0.268 238 T C 1.697 176.214 174.700 -0.305 0.000 1.034 238 T CA 2.055 63.808 62.100 -0.579 0.000 1.149 238 T CB -0.858 67.834 68.868 -0.293 0.000 0.860 238 T HN 0.184 nan 8.240 nan 0.000 0.449 239 L N 0.843 122.007 121.223 -0.099 0.000 2.083 239 L HA -0.027 4.313 4.340 0.000 0.000 0.209 239 L C 2.619 179.470 176.870 -0.032 0.000 1.083 239 L CA 1.675 56.498 54.840 -0.028 0.000 0.752 239 L CB -0.936 41.156 42.059 0.054 0.000 0.899 239 L HN 0.168 nan 8.230 nan 0.000 0.433 240 S N -0.446 115.236 115.700 -0.030 0.000 2.353 240 S HA -0.208 4.262 4.470 0.000 0.000 0.222 240 S C 1.881 176.517 174.600 0.061 0.000 1.035 240 S CA 1.649 59.893 58.200 0.074 0.000 1.025 240 S CB -0.355 62.901 63.200 0.094 0.000 0.902 240 S HN 0.621 nan 8.310 nan 0.000 0.440 241 N N 1.386 119.988 118.700 -0.162 0.000 2.149 241 N HA -0.031 4.710 4.740 0.000 0.000 0.188 241 N C 1.764 177.208 175.510 -0.110 0.000 1.019 241 N CA 1.046 53.989 53.050 -0.178 0.000 0.857 241 N CB -0.623 37.659 38.487 -0.341 0.000 0.997 241 N HN 0.415 nan 8.380 nan 0.000 0.426 242 L N 0.042 121.207 121.223 -0.097 0.000 2.083 242 L HA -0.156 4.184 4.340 0.000 0.000 0.209 242 L C 2.258 179.120 176.870 -0.013 0.000 1.083 242 L CA 0.867 55.675 54.840 -0.055 0.000 0.752 242 L CB -0.343 41.682 42.059 -0.056 0.000 0.899 242 L HN 0.206 nan 8.230 nan 0.000 0.433 243 C N -1.275 118.049 119.300 0.040 0.000 2.464 243 C HA -0.016 4.444 4.460 0.000 0.000 0.278 243 C C 1.760 176.791 174.990 0.068 0.000 1.375 243 C CA -0.540 58.543 59.018 0.108 0.000 1.761 243 C CB -0.883 26.981 27.740 0.206 0.000 1.944 243 C HN 0.305 nan 8.230 nan 0.000 0.509 244 R N 1.065 121.518 120.500 -0.079 0.000 2.537 244 R HA 0.429 4.770 4.340 0.000 0.000 0.280 244 R C -0.086 176.026 176.300 -0.313 0.000 1.058 244 R CA 1.302 57.063 56.100 -0.566 0.000 1.057 244 R CB -0.078 29.805 30.300 -0.695 0.000 0.973 244 R HN 0.527 nan 8.270 nan 0.000 0.438 245 G N 2.925 111.533 108.800 -0.320 0.000 2.873 245 G HA2 -0.070 3.890 3.960 0.000 0.000 0.507 245 G HA3 -0.070 3.890 3.960 0.000 0.000 0.507 245 G C -0.532 174.317 174.900 -0.085 0.000 1.440 245 G CA -0.364 44.640 45.100 -0.160 0.000 1.016 245 G HN 0.663 nan 8.290 nan 0.000 0.615 246 K N 0.705 121.066 120.400 -0.065 0.000 2.491 246 K HA 0.446 4.766 4.320 0.000 0.000 0.211 246 K C 2.121 178.711 176.600 -0.016 0.000 1.210 246 K CA 1.112 57.387 56.287 -0.021 0.000 1.003 246 K CB 0.067 32.561 32.500 -0.010 0.000 1.009 246 K HN 0.800 nan 8.250 nan 0.000 0.577 247 K N 2.057 122.440 120.400 -0.028 0.000 2.613 247 K HA 0.120 4.440 4.320 0.000 0.000 0.186 247 K C -2.175 174.418 176.600 -0.011 0.000 1.126 247 K CA 0.275 56.549 56.287 -0.021 0.000 1.230 247 K CB -1.737 30.745 32.500 -0.029 0.000 1.713 247 K HN 0.112 nan 8.250 nan 0.000 0.491 248 P HA 0.049 nan 4.420 nan 0.000 0.264 248 P C -0.837 176.468 177.300 0.009 0.000 1.229 248 P CA 0.236 63.337 63.100 0.003 0.000 0.780 248 P CB 0.110 31.812 31.700 0.003 0.000 0.808 249 Q N 4.833 124.647 119.800 0.023 0.000 2.394 249 Q HA 0.208 4.548 4.340 0.000 0.000 0.248 249 Q C -1.619 174.417 176.000 0.061 0.000 0.992 249 Q CA -1.455 54.373 55.803 0.041 0.000 0.888 249 Q CB 0.035 28.811 28.738 0.063 0.000 1.257 249 Q HN 0.458 nan 8.270 nan 0.000 0.462 250 P HA -0.112 nan 4.420 nan 0.000 0.270 250 P C -0.480 176.884 177.300 0.106 0.000 1.223 250 P CA -0.164 62.978 63.100 0.070 0.000 0.785 250 P CB 0.515 32.248 31.700 0.056 0.000 0.923 251 D N 2.016 122.463 120.400 0.078 0.000 2.455 251 D HA -0.121 4.519 4.640 0.000 0.000 0.265 251 D C 1.169 177.529 176.300 0.100 0.000 1.284 251 D CA 0.093 54.146 54.000 0.088 0.000 0.944 251 D CB -0.037 40.791 40.800 0.046 0.000 1.121 251 D HN 0.445 nan 8.370 nan 0.000 0.525 252 W N 3.798 125.105 121.300 0.012 0.000 2.342 252 W HA -0.251 4.410 4.660 0.000 0.000 0.297 252 W C 1.700 178.225 176.519 0.009 0.000 1.213 252 W CA 1.618 58.970 57.345 0.012 0.000 1.251 252 W CB -0.110 29.357 29.460 0.012 0.000 1.136 252 W HN 0.498 nan 8.180 nan 0.000 0.526 253 S N -0.136 115.545 115.700 -0.033 0.000 2.474 253 S HA -0.139 4.331 4.470 0.000 0.000 0.235 253 S C 1.589 176.083 174.600 -0.176 0.000 0.997 253 S CA 1.382 59.519 58.200 -0.105 0.000 0.949 253 S CB -0.611 62.599 63.200 0.017 0.000 0.766 253 S HN 0.074 nan 8.310 nan 0.000 0.517 254 V N 1.964 121.782 119.914 -0.160 0.000 2.391 254 V HA -0.028 4.092 4.120 0.000 0.000 0.237 254 V C 2.701 178.665 176.094 -0.217 0.000 1.046 254 V CA 1.076 63.291 62.300 -0.142 0.000 1.053 254 V CB -0.700 31.078 31.823 -0.074 0.000 0.704 254 V HN 0.527 nan 8.190 nan 0.000 0.475 255 V N 0.701 120.474 119.914 -0.236 0.000 2.469 255 V HA -0.209 3.911 4.120 0.000 0.000 0.251 255 V C 2.550 178.382 176.094 -0.437 0.000 1.064 255 V CA 2.220 64.365 62.300 -0.259 0.000 1.066 255 V CB -1.644 30.083 31.823 -0.160 0.000 0.667 255 V HN 0.641 nan 8.190 nan 0.000 0.461 256 S N 0.388 115.609 115.700 -0.798 0.000 2.419 256 S HA -0.329 4.141 4.470 0.000 0.000 0.235 256 S C 1.946 176.279 174.600 -0.445 0.000 1.019 256 S CA 1.814 59.437 58.200 -0.961 0.000 0.982 256 S CB -0.832 61.520 63.200 -1.413 0.000 0.789 256 S HN 0.742 nan 8.310 nan 0.000 0.490 257 Q N 0.818 120.421 119.800 -0.329 0.000 2.364 257 Q HA 0.088 4.428 4.340 0.000 0.000 0.209 257 Q C 2.287 178.184 176.000 -0.171 0.000 0.977 257 Q CA 1.134 56.817 55.803 -0.199 0.000 0.885 257 Q CB -0.440 28.208 28.738 -0.151 0.000 0.941 257 Q HN 0.837 nan 8.270 nan 0.000 0.464 258 A N 0.276 122.980 122.820 -0.194 0.000 2.169 258 A HA -0.013 4.307 4.320 0.000 0.000 0.212 258 A C 1.864 179.344 177.584 -0.173 0.000 1.153 258 A CA 0.195 52.119 52.037 -0.187 0.000 0.756 258 A CB -0.274 18.617 19.000 -0.182 0.000 0.813 258 A HN 0.266 nan 8.150 nan 0.000 0.471 259 L N -0.301 120.835 121.223 -0.145 0.000 1.997 259 L HA -0.195 4.145 4.340 0.000 0.000 0.216 259 L C -0.361 176.459 176.870 -0.083 0.000 1.074 259 L CA 1.949 56.732 54.840 -0.094 0.000 0.763 259 L CB -1.643 40.380 42.059 -0.059 0.000 0.890 259 L HN 0.235 nan 8.230 nan 0.000 0.434 260 P HA -0.142 nan 4.420 nan 0.000 0.215 260 P C 1.606 178.853 177.300 -0.087 0.000 1.153 260 P CA 1.513 64.573 63.100 -0.066 0.000 0.853 260 P CB -0.050 31.614 31.700 -0.060 0.000 0.788 261 T N -0.402 114.062 114.554 -0.150 0.000 2.708 261 T HA -0.113 4.237 4.350 0.000 0.000 0.266 261 T C 1.629 176.207 174.700 -0.203 0.000 1.037 261 T CA 1.095 63.059 62.100 -0.227 0.000 1.146 261 T CB -0.924 67.674 68.868 -0.449 0.000 0.865 261 T HN -0.074 nan 8.240 nan 0.000 0.435 262 L N 1.492 122.598 121.223 -0.194 0.000 2.013 262 L HA -0.091 4.249 4.340 0.000 0.000 0.212 262 L C 2.867 179.709 176.870 -0.047 0.000 1.073 262 L CA 1.808 56.572 54.840 -0.127 0.000 0.753 262 L CB -1.379 40.617 42.059 -0.105 0.000 0.890 262 L HN 0.261 nan 8.230 nan 0.000 0.432 263 A N -0.807 122.000 122.820 -0.022 0.000 1.958 263 A HA -0.281 4.039 4.320 0.000 0.000 0.221 263 A C 2.531 180.199 177.584 0.140 0.000 1.178 263 A CA 2.374 54.440 52.037 0.049 0.000 0.642 263 A CB -0.552 18.469 19.000 0.036 0.000 0.816 263 A HN 0.368 nan 8.150 nan 0.000 0.453 264 K N -0.606 119.842 120.400 0.079 0.000 2.044 264 K HA 0.150 4.470 4.320 0.000 0.000 0.204 264 K C 2.005 178.711 176.600 0.177 0.000 1.049 264 K CA 1.009 57.370 56.287 0.122 0.000 0.945 264 K CB -1.081 31.438 32.500 0.032 0.000 0.724 264 K HN 0.617 nan 8.250 nan 0.000 0.440 265 L N 1.305 122.572 121.223 0.073 0.000 2.137 265 L HA -0.128 4.212 4.340 0.000 0.000 0.213 265 L C 2.189 179.091 176.870 0.053 0.000 1.085 265 L CA 1.450 56.328 54.840 0.063 0.000 0.760 265 L CB -0.931 41.131 42.059 0.006 0.000 0.893 265 L HN 0.363 nan 8.230 nan 0.000 0.434 266 I N -4.569 116.014 120.570 0.022 0.000 3.605 266 I HA -0.149 4.021 4.170 0.000 0.000 0.301 266 I C 0.748 176.716 176.117 -0.248 0.000 1.267 266 I CA 0.724 61.955 61.300 -0.114 0.000 1.236 266 I CB -0.505 37.380 38.000 -0.191 0.000 1.010 266 I HN 0.098 nan 8.210 nan 0.000 0.491 267 Y N 0.468 120.768 120.300 0.000 0.000 2.682 267 Y HA 0.341 4.891 4.550 0.000 0.000 0.251 267 Y C 1.305 177.216 175.900 0.018 0.000 1.172 267 Y CA -0.496 57.610 58.100 0.009 0.000 1.186 267 Y CB 0.292 38.755 38.460 0.004 0.000 1.216 267 Y HN 0.129 nan 8.280 nan 0.000 0.540 268 S N 0.250 116.019 115.700 0.117 0.000 2.592 268 S HA 0.154 4.624 4.470 0.000 0.000 0.271 268 S C 1.342 175.985 174.600 0.072 0.000 1.326 268 S CA -0.383 57.872 58.200 0.092 0.000 1.024 268 S CB 0.607 63.853 63.200 0.075 0.000 0.921 268 S HN 0.285 nan 8.310 nan 0.000 0.527 269 M N 1.940 121.578 119.600 0.065 0.000 2.388 269 M HA 0.102 4.582 4.480 0.000 0.000 0.265 269 M C 0.456 176.786 176.300 0.050 0.000 1.088 269 M CA 0.503 55.836 55.300 0.055 0.000 1.134 269 M CB -1.471 31.155 32.600 0.043 0.000 1.384 269 M HN 0.662 nan 8.290 nan 0.000 0.447 270 D N 1.028 121.454 120.400 0.044 0.000 2.346 270 D HA 0.047 4.687 4.640 0.000 0.000 0.260 270 D C 0.896 177.217 176.300 0.034 0.000 1.252 270 D CA 0.371 54.391 54.000 0.033 0.000 0.895 270 D CB 1.110 41.926 40.800 0.027 0.000 1.097 270 D HN 0.047 nan 8.370 nan 0.000 0.489 271 T N 2.924 117.500 114.554 0.036 0.000 2.720 271 T HA -0.187 4.163 4.350 0.000 0.000 0.268 271 T C 1.570 176.275 174.700 0.009 0.000 1.037 271 T CA 1.131 63.249 62.100 0.030 0.000 1.144 271 T CB -0.136 68.760 68.868 0.047 0.000 0.864 271 T HN 0.533 nan 8.240 nan 0.000 0.444 272 E N 0.142 120.346 120.200 0.006 0.000 2.051 272 E HA -0.135 4.215 4.350 0.000 0.000 0.192 272 E C 2.403 179.017 176.600 0.023 0.000 0.991 272 E CA 1.378 57.778 56.400 0.001 0.000 0.799 272 E CB -0.041 29.639 29.700 -0.033 0.000 0.748 272 E HN 0.372 nan 8.360 nan 0.000 0.449 273 T N 1.652 116.222 114.554 0.027 0.000 2.674 273 T HA -0.172 4.178 4.350 0.000 0.000 0.265 273 T C 1.841 176.570 174.700 0.048 0.000 1.039 273 T CA 0.959 63.092 62.100 0.055 0.000 1.150 273 T CB -0.366 68.539 68.868 0.062 0.000 0.864 273 T HN 0.169 nan 8.240 nan 0.000 0.427 274 L N 1.147 122.382 121.223 0.020 0.000 1.997 274 L HA -0.189 4.151 4.340 0.000 0.000 0.216 274 L C 2.509 179.354 176.870 -0.042 0.000 1.074 274 L CA 1.690 56.519 54.840 -0.020 0.000 0.763 274 L CB -0.541 41.495 42.059 -0.038 0.000 0.890 274 L HN 0.149 nan 8.230 nan 0.000 0.434 275 V N 0.132 120.032 119.914 -0.024 0.000 2.255 275 V HA -0.344 3.777 4.120 0.000 0.000 0.247 275 V C 2.165 178.331 176.094 0.119 0.000 1.051 275 V CA 2.296 64.600 62.300 0.006 0.000 1.018 275 V CB -0.658 31.203 31.823 0.064 0.000 0.641 275 V HN 0.517 nan 8.190 nan 0.000 0.445 276 D N -0.138 120.359 120.400 0.162 0.000 2.264 276 D HA -0.068 4.572 4.640 0.000 0.000 0.208 276 D C 2.131 178.505 176.300 0.123 0.000 0.966 276 D CA 1.379 55.509 54.000 0.217 0.000 0.864 276 D CB -0.089 40.841 40.800 0.217 0.000 0.933 276 D HN 0.469 nan 8.370 nan 0.000 0.499 277 A N 0.306 123.156 122.820 0.050 0.000 1.898 277 A HA -0.148 4.172 4.320 0.000 0.000 0.216 277 A C 2.521 180.067 177.584 -0.063 0.000 1.181 277 A CA 0.940 52.974 52.037 -0.004 0.000 0.620 277 A CB -0.784 18.206 19.000 -0.017 0.000 0.819 277 A HN 0.319 nan 8.150 nan 0.000 0.442 278 C N -2.636 116.594 119.300 -0.116 0.000 2.429 278 C HA -0.157 4.303 4.460 0.000 0.000 0.277 278 C C 2.407 177.222 174.990 -0.291 0.000 1.262 278 C CA 0.567 59.450 59.018 -0.226 0.000 1.733 278 C CB -1.836 25.711 27.740 -0.321 0.000 2.010 278 C HN 0.824 nan 8.230 nan 0.000 0.483 279 W N 1.032 122.171 121.300 -0.267 0.000 2.342 279 W HA -0.124 4.536 4.660 0.000 0.000 0.297 279 W C 2.658 178.669 176.519 -0.846 0.000 1.213 279 W CA 1.247 58.273 57.345 -0.532 0.000 1.251 279 W CB -0.445 28.758 29.460 -0.429 0.000 1.136 279 W HN 0.311 nan 8.180 nan 0.000 0.526 280 A N 0.273 122.976 122.820 -0.196 0.000 1.877 280 A HA -0.189 4.131 4.320 0.000 0.000 0.216 280 A C 1.824 179.376 177.584 -0.054 0.000 1.186 280 A CA 1.735 53.720 52.037 -0.087 0.000 0.620 280 A CB -0.997 18.010 19.000 0.010 0.000 0.822 280 A HN 0.278 nan 8.150 nan 0.000 0.443 281 I N 0.907 121.432 120.570 -0.076 0.000 2.286 281 I HA -0.259 3.911 4.170 0.000 0.000 0.248 281 I C 2.794 178.904 176.117 -0.013 0.000 1.115 281 I CA 1.615 62.895 61.300 -0.032 0.000 1.392 281 I CB -0.296 37.667 38.000 -0.062 0.000 1.065 281 I HN 0.526 nan 8.210 nan 0.000 0.418 282 S N 0.176 115.816 115.700 -0.100 0.000 2.423 282 S HA -0.160 4.311 4.470 0.000 0.000 0.231 282 S C 1.976 176.673 174.600 0.161 0.000 1.014 282 S CA 0.750 58.932 58.200 -0.030 0.000 0.965 282 S CB -0.539 62.579 63.200 -0.137 0.000 0.785 282 S HN 0.360 nan 8.310 nan 0.000 0.495 283 Y N 1.735 122.126 120.300 0.152 0.000 2.286 283 Y HA 0.315 4.866 4.550 0.000 0.000 0.293 283 Y C 2.150 178.138 175.900 0.147 0.000 1.124 283 Y CA -0.336 57.851 58.100 0.146 0.000 1.178 283 Y CB -0.774 37.766 38.460 0.133 0.000 1.010 283 Y HN 0.250 nan 8.280 nan 0.000 0.536 284 L N -1.217 120.194 121.223 0.314 0.000 2.395 284 L HA -0.090 4.250 4.340 0.000 0.000 0.218 284 L C 1.913 178.957 176.870 0.289 0.000 1.130 284 L CA 0.825 55.876 54.840 0.352 0.000 0.826 284 L CB -0.360 41.883 42.059 0.307 0.000 0.941 284 L HN 0.057 nan 8.230 nan 0.000 0.451 285 S N -0.327 115.487 115.700 0.190 0.000 2.501 285 S HA -0.067 4.403 4.470 0.000 0.000 0.220 285 S C 0.986 175.642 174.600 0.094 0.000 0.997 285 S CA 0.544 58.813 58.200 0.115 0.000 0.919 285 S CB -0.204 63.046 63.200 0.083 0.000 0.778 285 S HN 0.557 nan 8.310 nan 0.000 0.523 286 D N 1.571 122.052 120.400 0.136 0.000 2.396 286 D HA 0.210 4.850 4.640 0.000 0.000 0.255 286 D C 0.752 177.083 176.300 0.051 0.000 1.224 286 D CA -0.022 54.045 54.000 0.113 0.000 0.894 286 D CB -0.509 40.378 40.800 0.146 0.000 0.939 286 D HN 0.301 nan 8.370 nan 0.000 0.506 287 G N 0.059 108.856 108.800 -0.004 0.000 3.107 287 G HA2 0.560 4.520 3.960 0.000 0.000 0.232 287 G HA3 0.560 4.520 3.960 0.000 0.000 0.232 287 G C -2.383 172.439 174.900 -0.130 0.000 1.339 287 G CA -1.297 43.750 45.100 -0.089 0.000 1.033 287 G HN 0.094 nan 8.290 nan 0.000 0.567 288 P HA 0.121 nan 4.420 nan 0.000 0.274 288 P C 0.191 177.374 177.300 -0.194 0.000 1.260 288 P CA -0.092 62.900 63.100 -0.181 0.000 0.793 288 P CB 1.204 32.780 31.700 -0.207 0.000 1.048 289 Q N 0.033 119.748 119.800 -0.142 0.000 2.152 289 Q HA -0.235 4.105 4.340 0.000 0.000 0.206 289 Q C 2.435 178.349 176.000 -0.144 0.000 0.985 289 Q CA 2.611 58.344 55.803 -0.117 0.000 0.863 289 Q CB -0.607 28.081 28.738 -0.082 0.000 0.904 289 Q HN 0.720 nan 8.270 nan 0.000 0.422 290 E N 1.001 121.081 120.200 -0.201 0.000 2.058 290 E HA -0.180 4.170 4.350 0.000 0.000 0.194 290 E C 1.963 178.392 176.600 -0.285 0.000 0.997 290 E CA 1.462 57.732 56.400 -0.217 0.000 0.801 290 E CB -0.867 28.665 29.700 -0.280 0.000 0.746 290 E HN 0.526 nan 8.360 nan 0.000 0.450 291 A N 0.474 122.962 122.820 -0.553 0.000 1.902 291 A HA 0.028 4.348 4.320 0.000 0.000 0.217 291 A C 2.505 180.016 177.584 -0.123 0.000 1.181 291 A CA 1.509 53.173 52.037 -0.622 0.000 0.623 291 A CB -0.373 18.121 19.000 -0.843 0.000 0.818 291 A HN 0.522 nan 8.150 nan 0.000 0.443 292 I N -0.847 119.653 120.570 -0.116 0.000 2.286 292 I HA -0.267 3.903 4.170 0.000 0.000 0.248 292 I C 2.716 178.829 176.117 -0.006 0.000 1.115 292 I CA 1.702 62.979 61.300 -0.039 0.000 1.392 292 I CB -0.289 37.678 38.000 -0.055 0.000 1.065 292 I HN 0.363 nan 8.210 nan 0.000 0.418 293 Q N 1.141 120.933 119.800 -0.014 0.000 2.167 293 Q HA -0.102 4.238 4.340 0.000 0.000 0.202 293 Q C 2.162 178.195 176.000 0.055 0.000 0.970 293 Q CA 1.877 57.687 55.803 0.012 0.000 0.855 293 Q CB -0.222 28.517 28.738 0.003 0.000 0.911 293 Q HN 0.498 nan 8.270 nan 0.000 0.438 294 A N -0.742 122.145 122.820 0.112 0.000 1.877 294 A HA -0.129 4.192 4.320 0.000 0.000 0.216 294 A C 2.224 179.881 177.584 0.123 0.000 1.186 294 A CA 1.662 53.802 52.037 0.172 0.000 0.620 294 A CB -0.870 18.358 19.000 0.380 0.000 0.822 294 A HN 0.248 nan 8.150 nan 0.000 0.443 295 V N 0.333 120.320 119.914 0.122 0.000 2.343 295 V HA -0.277 3.843 4.120 0.000 0.000 0.247 295 V C 2.417 178.537 176.094 0.044 0.000 1.051 295 V CA 2.011 64.358 62.300 0.078 0.000 1.036 295 V CB -0.729 31.134 31.823 0.067 0.000 0.654 295 V HN 0.561 nan 8.190 nan 0.000 0.451 296 I N 0.117 120.708 120.570 0.035 0.000 2.226 296 I HA -0.219 3.951 4.170 0.000 0.000 0.245 296 I C 2.238 178.368 176.117 0.021 0.000 1.100 296 I CA 1.608 62.919 61.300 0.018 0.000 1.374 296 I CB -0.498 37.507 38.000 0.008 0.000 1.057 296 I HN 0.338 nan 8.210 nan 0.000 0.413 297 D N 0.154 120.572 120.400 0.030 0.000 2.219 297 D HA -0.111 4.529 4.640 0.000 0.000 0.205 297 D C 1.843 178.157 176.300 0.024 0.000 0.970 297 D CA 0.981 54.997 54.000 0.026 0.000 0.851 297 D CB 0.004 40.824 40.800 0.033 0.000 0.943 297 D HN 0.173 nan 8.370 nan 0.000 0.488 298 V N 1.058 120.989 119.914 0.028 0.000 3.563 298 V HA 0.016 4.136 4.120 0.000 0.000 0.299 298 V C 0.122 176.231 176.094 0.025 0.000 1.290 298 V CA 0.177 62.490 62.300 0.021 0.000 1.201 298 V CB -1.095 30.739 31.823 0.018 0.000 1.045 298 V HN 0.196 nan 8.190 nan 0.000 0.425 299 R N -0.565 119.949 120.500 0.024 0.000 3.405 299 R HA -0.235 4.105 4.340 0.000 0.000 0.258 299 R C 0.976 177.300 176.300 0.040 0.000 1.030 299 R CA 1.035 57.151 56.100 0.028 0.000 0.691 299 R CB -1.987 28.330 30.300 0.028 0.000 1.093 299 R HN 0.508 nan 8.270 nan 0.000 0.448 300 I N 0.840 121.427 120.570 0.028 0.000 2.296 300 I HA -0.090 4.080 4.170 0.000 0.000 0.242 300 I C -0.396 175.718 176.117 -0.004 0.000 1.087 300 I CA 0.491 61.802 61.300 0.018 0.000 1.393 300 I CB -0.926 37.077 38.000 0.004 0.000 1.093 300 I HN 0.151 nan 8.210 nan 0.000 0.421 301 P HA -0.289 nan 4.420 nan 0.000 0.222 301 P C 1.337 178.623 177.300 -0.023 0.000 1.155 301 P CA 1.923 65.009 63.100 -0.023 0.000 0.890 301 P CB -0.115 31.574 31.700 -0.019 0.000 0.790 302 K N 0.205 120.602 120.400 -0.006 0.000 2.057 302 K HA -0.175 4.145 4.320 0.000 0.000 0.207 302 K C 2.348 178.941 176.600 -0.013 0.000 1.049 302 K CA 1.549 57.835 56.287 -0.002 0.000 0.931 302 K CB -0.820 31.691 32.500 0.019 0.000 0.714 302 K HN -0.142 nan 8.250 nan 0.000 0.440 303 R N 0.316 120.806 120.500 -0.018 0.000 2.062 303 R HA 0.010 4.350 4.340 0.000 0.000 0.231 303 R C 2.068 178.294 176.300 -0.124 0.000 1.136 303 R CA 1.419 57.464 56.100 -0.093 0.000 0.948 303 R CB -1.162 29.034 30.300 -0.173 0.000 0.845 303 R HN 0.256 nan 8.270 nan 0.000 0.430 304 L N 0.153 121.312 121.223 -0.106 0.000 2.103 304 L HA -0.192 4.148 4.340 0.000 0.000 0.215 304 L C 2.242 179.059 176.870 -0.089 0.000 1.080 304 L CA 1.516 56.292 54.840 -0.108 0.000 0.764 304 L CB -0.537 41.470 42.059 -0.086 0.000 0.890 304 L HN 0.107 nan 8.230 nan 0.000 0.435 305 V N -0.982 118.892 119.914 -0.066 0.000 2.379 305 V HA -0.241 3.879 4.120 0.000 0.000 0.245 305 V C 2.293 178.359 176.094 -0.046 0.000 1.044 305 V CA 1.675 63.944 62.300 -0.051 0.000 1.036 305 V CB -0.541 31.260 31.823 -0.037 0.000 0.664 305 V HN 0.499 nan 8.190 nan 0.000 0.453 306 E N 0.327 120.498 120.200 -0.049 0.000 2.160 306 E HA -0.200 4.150 4.350 0.000 0.000 0.195 306 E C 2.113 178.690 176.600 -0.038 0.000 0.991 306 E CA 1.122 57.498 56.400 -0.040 0.000 0.810 306 E CB -0.236 29.438 29.700 -0.043 0.000 0.742 306 E HN 0.504 nan 8.360 nan 0.000 0.466 307 L N 0.757 121.942 121.223 -0.063 0.000 2.376 307 L HA -0.106 4.234 4.340 0.000 0.000 0.219 307 L C 2.166 179.021 176.870 -0.025 0.000 1.133 307 L CA 0.334 55.145 54.840 -0.047 0.000 0.816 307 L CB -0.218 41.773 42.059 -0.114 0.000 0.933 307 L HN 0.186 nan 8.230 nan 0.000 0.449 308 L N -0.516 120.685 121.223 -0.036 0.000 2.201 308 L HA -0.129 4.211 4.340 0.000 0.000 0.212 308 L C 2.065 178.937 176.870 0.003 0.000 1.105 308 L CA 1.133 55.956 54.840 -0.028 0.000 0.775 308 L CB -0.388 41.652 42.059 -0.032 0.000 0.913 308 L HN 0.342 nan 8.230 nan 0.000 0.440 309 S N -2.260 113.448 115.700 0.012 0.000 2.618 309 S HA 0.049 4.519 4.470 0.000 0.000 0.242 309 S C 0.532 175.152 174.600 0.033 0.000 0.972 309 S CA -0.621 57.588 58.200 0.015 0.000 1.004 309 S CB -0.646 62.552 63.200 -0.003 0.000 0.778 309 S HN 0.311 nan 8.310 nan 0.000 0.459 310 H N 2.062 121.106 119.070 -0.044 0.000 2.603 310 H HA 0.195 4.752 4.556 0.000 0.000 0.370 310 H C 0.586 175.896 175.328 -0.029 0.000 1.225 310 H CA 0.559 56.583 56.048 -0.041 0.000 1.410 310 H CB 1.165 30.894 29.762 -0.054 0.000 1.495 310 H HN 0.336 nan 8.280 nan 0.000 0.602 311 E N 0.795 120.920 120.200 -0.125 0.000 2.442 311 E HA 0.063 4.413 4.350 0.000 0.000 0.195 311 E C 0.357 177.046 176.600 0.147 0.000 1.030 311 E CA -0.123 56.281 56.400 0.007 0.000 0.869 311 E CB 0.279 29.930 29.700 -0.082 0.000 0.857 311 E HN 0.202 nan 8.360 nan 0.000 0.505 312 S N 0.724 116.684 115.700 0.434 0.000 2.457 312 S HA 0.186 4.657 4.470 0.000 0.000 0.289 312 S C 0.956 175.618 174.600 0.102 0.000 1.163 312 S CA -0.321 58.016 58.200 0.228 0.000 1.078 312 S CB 0.739 64.071 63.200 0.220 0.000 0.987 312 S HN 0.313 nan 8.310 nan 0.000 0.482 313 T N 3.704 118.290 114.554 0.053 0.000 3.155 313 T HA 0.040 4.390 4.350 0.000 0.000 0.264 313 T C 1.575 176.269 174.700 -0.010 0.000 1.160 313 T CA 0.551 62.662 62.100 0.018 0.000 1.075 313 T CB -0.380 68.504 68.868 0.027 0.000 0.921 313 T HN 0.616 nan 8.240 nan 0.000 0.533 314 L N 0.193 121.408 121.223 -0.014 0.000 2.240 314 L HA 0.072 4.412 4.340 0.000 0.000 0.211 314 L C 2.544 179.343 176.870 -0.118 0.000 1.106 314 L CA 0.492 55.327 54.840 -0.008 0.000 0.793 314 L CB -0.299 41.770 42.059 0.017 0.000 0.927 314 L HN 0.220 nan 8.230 nan 0.000 0.446 315 V N -0.995 118.774 119.914 -0.242 0.000 2.685 315 V HA -0.115 4.005 4.120 0.000 0.000 0.244 315 V C 2.243 178.169 176.094 -0.281 0.000 1.054 315 V CA 0.918 62.993 62.300 -0.375 0.000 1.076 315 V CB -0.086 31.257 31.823 -0.801 0.000 0.725 315 V HN 0.398 nan 8.190 nan 0.000 0.467 316 Q N -0.110 119.584 119.800 -0.177 0.000 2.119 316 Q HA -0.159 4.181 4.340 0.000 0.000 0.201 316 Q C 2.336 178.242 176.000 -0.158 0.000 0.972 316 Q CA 2.019 57.750 55.803 -0.121 0.000 0.847 316 Q CB -0.298 28.413 28.738 -0.044 0.000 0.903 316 Q HN 0.591 nan 8.270 nan 0.000 0.433 317 T N 1.768 116.220 114.554 -0.170 0.000 2.643 317 T HA -0.110 4.240 4.350 0.000 0.000 0.264 317 T C -0.974 173.457 174.700 -0.449 0.000 1.045 317 T CA 1.593 63.572 62.100 -0.201 0.000 1.155 317 T CB -1.112 67.717 68.868 -0.064 0.000 0.863 317 T HN 0.327 nan 8.240 nan 0.000 0.420 318 P HA 0.068 nan 4.420 nan 0.000 0.221 318 P C 1.296 178.232 177.300 -0.606 0.000 1.150 318 P CA 1.139 63.508 63.100 -1.217 0.000 0.800 318 P CB -0.058 30.525 31.700 -1.862 0.000 0.787 319 A N 0.259 122.831 122.820 -0.414 0.000 1.898 319 A HA -0.124 4.196 4.320 0.000 0.000 0.216 319 A C 2.211 179.690 177.584 -0.175 0.000 1.181 319 A CA 1.252 53.135 52.037 -0.258 0.000 0.620 319 A CB -1.564 17.311 19.000 -0.207 0.000 0.819 319 A HN 0.184 nan 8.150 nan 0.000 0.442 320 L N -0.370 120.761 121.223 -0.153 0.000 2.141 320 L HA -0.023 4.317 4.340 0.000 0.000 0.209 320 L C 2.310 179.180 176.870 -0.000 0.000 1.094 320 L CA 2.162 56.965 54.840 -0.061 0.000 0.763 320 L CB -0.573 41.468 42.059 -0.031 0.000 0.908 320 L HN 0.375 nan 8.230 nan 0.000 0.437 321 R N -0.081 120.381 120.500 -0.064 0.000 2.115 321 R HA -0.025 4.315 4.340 0.000 0.000 0.230 321 R C 2.032 178.376 176.300 0.074 0.000 1.111 321 R CA 1.547 57.668 56.100 0.034 0.000 0.976 321 R CB -0.546 29.699 30.300 -0.092 0.000 0.870 321 R HN 0.476 nan 8.270 nan 0.000 0.445 322 A N -0.623 122.175 122.820 -0.035 0.000 1.903 322 A HA 0.037 4.358 4.320 0.000 0.000 0.213 322 A C 2.235 179.809 177.584 -0.017 0.000 1.185 322 A CA 1.092 53.117 52.037 -0.020 0.000 0.628 322 A CB -0.538 18.417 19.000 -0.075 0.000 0.830 322 A HN 0.147 nan 8.150 nan 0.000 0.446 323 V N 0.256 120.145 119.914 -0.041 0.000 2.287 323 V HA -0.233 3.887 4.120 0.000 0.000 0.248 323 V C 2.833 178.876 176.094 -0.086 0.000 1.053 323 V CA 2.161 64.426 62.300 -0.059 0.000 1.027 323 V CB -1.402 30.384 31.823 -0.061 0.000 0.646 323 V HN 0.606 nan 8.190 nan 0.000 0.447 324 G N 0.048 108.814 108.800 -0.057 0.000 2.440 324 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 324 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 324 G C 1.417 176.125 174.900 -0.320 0.000 1.154 324 G CA 1.016 45.965 45.100 -0.252 0.000 0.767 324 G HN 0.529 nan 8.290 nan 0.000 0.552 325 N N 0.600 119.298 118.700 -0.003 0.000 2.223 325 N HA -0.040 4.700 4.740 0.000 0.000 0.185 325 N C 2.217 177.694 175.510 -0.056 0.000 1.016 325 N CA 0.721 53.794 53.050 0.038 0.000 0.863 325 N CB -0.185 38.372 38.487 0.115 0.000 0.983 325 N HN 0.382 nan 8.380 nan 0.000 0.429 326 I N 0.813 121.341 120.570 -0.071 0.000 2.202 326 I HA -0.189 3.981 4.170 0.000 0.000 0.242 326 I C 1.904 177.955 176.117 -0.109 0.000 1.091 326 I CA 0.842 62.098 61.300 -0.074 0.000 1.368 326 I CB -0.348 37.617 38.000 -0.059 0.000 1.058 326 I HN -0.030 nan 8.210 nan 0.000 0.410 327 V N -2.780 117.037 119.914 -0.162 0.000 3.383 327 V HA -0.127 3.994 4.120 0.000 0.000 0.272 327 V C 1.906 177.881 176.094 -0.198 0.000 1.181 327 V CA 1.551 63.743 62.300 -0.179 0.000 1.171 327 V CB -1.380 30.311 31.823 -0.220 0.000 0.800 327 V HN 0.339 nan 8.190 nan 0.000 0.515 328 T N 0.833 115.274 114.554 -0.188 0.000 2.985 328 T HA 0.204 4.554 4.350 0.000 0.000 0.266 328 T C 1.242 175.881 174.700 -0.101 0.000 1.076 328 T CA 0.999 63.006 62.100 -0.154 0.000 1.135 328 T CB -0.269 68.539 68.868 -0.100 0.000 0.890 328 T HN 0.794 nan 8.240 nan 0.000 0.480 329 G N 1.931 110.678 108.800 -0.088 0.000 2.570 329 G HA2 0.311 4.271 3.960 0.000 0.000 0.276 329 G HA3 0.311 4.271 3.960 0.000 0.000 0.276 329 G C 0.074 174.936 174.900 -0.063 0.000 1.346 329 G CA -0.746 44.313 45.100 -0.069 0.000 1.034 329 G HN 0.552 nan 8.290 nan 0.000 0.512 330 N N -0.701 117.968 118.700 -0.051 0.000 2.297 330 N HA -0.005 4.735 4.740 0.000 0.000 0.232 330 N C 0.510 175.995 175.510 -0.042 0.000 1.311 330 N CA 0.317 53.342 53.050 -0.042 0.000 0.897 330 N CB 0.412 38.879 38.487 -0.034 0.000 1.137 330 N HN 0.340 nan 8.380 nan 0.000 0.449 331 D N -0.318 120.061 120.400 -0.035 0.000 2.116 331 D HA -0.147 4.493 4.640 0.000 0.000 0.193 331 D C 1.750 178.031 176.300 -0.032 0.000 0.998 331 D CA 1.302 55.283 54.000 -0.033 0.000 0.836 331 D CB -0.346 40.439 40.800 -0.025 0.000 0.951 331 D HN 0.393 nan 8.370 nan 0.000 0.449 332 L N 0.617 121.823 121.223 -0.027 0.000 2.046 332 L HA -0.155 4.185 4.340 0.000 0.000 0.208 332 L C 2.438 179.292 176.870 -0.028 0.000 1.077 332 L CA 1.524 56.350 54.840 -0.024 0.000 0.747 332 L CB -0.775 41.273 42.059 -0.020 0.000 0.896 332 L HN 0.062 nan 8.230 nan 0.000 0.432 333 Q N -1.395 118.385 119.800 -0.032 0.000 2.167 333 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 333 Q C 2.038 178.012 176.000 -0.043 0.000 0.970 333 Q CA 1.758 57.540 55.803 -0.035 0.000 0.855 333 Q CB -0.255 28.459 28.738 -0.040 0.000 0.911 333 Q HN 0.483 nan 8.270 nan 0.000 0.438 334 T N 0.663 115.187 114.554 -0.050 0.000 2.951 334 T HA -0.085 4.265 4.350 0.000 0.000 0.268 334 T C 1.697 176.368 174.700 -0.049 0.000 1.073 334 T CA 0.640 62.705 62.100 -0.060 0.000 1.134 334 T CB 0.031 68.858 68.868 -0.068 0.000 0.884 334 T HN 0.152 nan 8.240 nan 0.000 0.479 335 Q N 0.657 120.434 119.800 -0.038 0.000 2.167 335 Q HA -0.001 4.339 4.340 0.000 0.000 0.202 335 Q C 2.538 178.521 176.000 -0.028 0.000 0.970 335 Q CA 0.744 56.529 55.803 -0.031 0.000 0.855 335 Q CB -0.514 28.209 28.738 -0.025 0.000 0.911 335 Q HN 0.394 nan 8.270 nan 0.000 0.438 336 V N 0.189 120.086 119.914 -0.028 0.000 2.332 336 V HA -0.222 3.898 4.120 0.000 0.000 0.248 336 V C 2.393 178.471 176.094 -0.026 0.000 1.055 336 V CA 1.497 63.783 62.300 -0.023 0.000 1.038 336 V CB -0.542 31.269 31.823 -0.020 0.000 0.651 336 V HN 0.106 nan 8.190 nan 0.000 0.450 337 V N -0.478 119.415 119.914 -0.036 0.000 2.453 337 V HA -0.162 3.958 4.120 0.000 0.000 0.247 337 V C 2.132 178.203 176.094 -0.039 0.000 1.048 337 V CA 1.640 63.915 62.300 -0.041 0.000 1.049 337 V CB -0.433 31.356 31.823 -0.056 0.000 0.672 337 V HN 0.432 nan 8.190 nan 0.000 0.457 338 I N 0.829 121.376 120.570 -0.038 0.000 2.252 338 I HA -0.191 3.979 4.170 0.000 0.000 0.245 338 I C 2.196 178.297 176.117 -0.026 0.000 1.102 338 I CA 1.291 62.571 61.300 -0.034 0.000 1.385 338 I CB -0.459 37.522 38.000 -0.033 0.000 1.064 338 I HN 0.365 nan 8.210 nan 0.000 0.414 339 N N 1.294 119.980 118.700 -0.023 0.000 2.453 339 N HA -0.070 4.670 4.740 0.000 0.000 0.183 339 N C 1.502 177.002 175.510 -0.016 0.000 1.041 339 N CA 1.124 54.163 53.050 -0.018 0.000 0.900 339 N CB -0.170 38.308 38.487 -0.015 0.000 0.961 339 N HN 0.305 nan 8.380 nan 0.000 0.443 340 A N 0.107 122.916 122.820 -0.018 0.000 2.302 340 A HA 0.412 4.733 4.320 0.000 0.000 0.219 340 A C 1.381 178.955 177.584 -0.017 0.000 1.243 340 A CA 0.459 52.487 52.037 -0.016 0.000 0.856 340 A CB -0.511 18.477 19.000 -0.019 0.000 0.893 340 A HN 0.255 nan 8.150 nan 0.000 0.491 341 G N -1.309 107.480 108.800 -0.019 0.000 2.176 341 G HA2 -0.243 3.717 3.960 0.000 0.000 0.252 341 G HA3 -0.243 3.717 3.960 0.000 0.000 0.252 341 G C 0.926 175.813 174.900 -0.021 0.000 1.024 341 G CA 0.579 45.668 45.100 -0.018 0.000 0.755 341 G HN 1.000 nan 8.290 nan 0.000 0.507 342 V N 0.021 119.919 119.914 -0.027 0.000 2.515 342 V HA -0.036 4.084 4.120 0.000 0.000 0.250 342 V C 2.716 178.794 176.094 -0.027 0.000 1.058 342 V CA 2.512 64.794 62.300 -0.031 0.000 1.064 342 V CB -0.222 31.576 31.823 -0.042 0.000 0.675 342 V HN 0.559 nan 8.190 nan 0.000 0.461 343 L N 0.176 121.384 121.223 -0.025 0.000 1.989 343 L HA -0.112 4.228 4.340 0.000 0.000 0.211 343 L C 0.152 177.014 176.870 -0.013 0.000 1.071 343 L CA 1.993 56.821 54.840 -0.019 0.000 0.749 343 L CB -2.059 39.989 42.059 -0.018 0.000 0.890 343 L HN 0.337 nan 8.230 nan 0.000 0.431 344 P HA -0.143 nan 4.420 nan 0.000 0.218 344 P C 1.358 178.654 177.300 -0.007 0.000 1.149 344 P CA 1.568 64.663 63.100 -0.008 0.000 0.817 344 P CB 0.015 31.709 31.700 -0.009 0.000 0.785 345 A N -0.910 121.903 122.820 -0.011 0.000 1.968 345 A HA -0.098 4.222 4.320 0.000 0.000 0.217 345 A C 2.077 179.656 177.584 -0.008 0.000 1.169 345 A CA 1.151 53.181 52.037 -0.011 0.000 0.638 345 A CB -1.467 17.522 19.000 -0.017 0.000 0.812 345 A HN 0.138 nan 8.150 nan 0.000 0.446 346 L N -1.321 119.897 121.223 -0.008 0.000 2.240 346 L HA -0.035 4.305 4.340 0.000 0.000 0.211 346 L C 2.659 179.532 176.870 0.005 0.000 1.106 346 L CA 0.848 55.687 54.840 -0.002 0.000 0.793 346 L CB -0.353 41.702 42.059 -0.006 0.000 0.927 346 L HN 0.409 nan 8.230 nan 0.000 0.446 347 R N -0.084 120.418 120.500 0.004 0.000 2.105 347 R HA -0.165 4.175 4.340 0.000 0.000 0.239 347 R C 2.225 178.530 176.300 0.008 0.000 1.135 347 R CA 1.406 57.511 56.100 0.008 0.000 0.967 347 R CB -0.103 30.201 30.300 0.007 0.000 0.861 347 R HN 0.201 nan 8.270 nan 0.000 0.442 348 L N 0.548 121.774 121.223 0.005 0.000 2.044 348 L HA -0.048 4.292 4.340 0.000 0.000 0.205 348 L C 2.517 179.392 176.870 0.008 0.000 1.075 348 L CA 1.183 56.026 54.840 0.005 0.000 0.747 348 L CB -1.057 41.004 42.059 0.002 0.000 0.903 348 L HN 0.375 nan 8.230 nan 0.000 0.435 349 L N -0.664 120.563 121.223 0.008 0.000 2.261 349 L HA -0.210 4.130 4.340 0.000 0.000 0.216 349 L C 2.396 179.277 176.870 0.017 0.000 1.114 349 L CA 1.079 55.926 54.840 0.012 0.000 0.777 349 L CB -0.598 41.468 42.059 0.012 0.000 0.910 349 L HN 0.339 nan 8.230 nan 0.000 0.440 350 L N -1.404 119.830 121.223 0.017 0.000 2.376 350 L HA -0.095 4.245 4.340 0.000 0.000 0.219 350 L C 2.111 178.991 176.870 0.017 0.000 1.133 350 L CA 0.593 55.445 54.840 0.020 0.000 0.816 350 L CB -0.304 41.767 42.059 0.020 0.000 0.933 350 L HN 0.152 nan 8.230 nan 0.000 0.449 351 S N -1.122 114.587 115.700 0.014 0.000 2.575 351 S HA 0.003 4.473 4.470 0.000 0.000 0.215 351 S C 0.964 175.572 174.600 0.013 0.000 0.966 351 S CA -0.137 58.071 58.200 0.013 0.000 0.911 351 S CB 0.086 63.292 63.200 0.010 0.000 0.780 351 S HN 0.361 nan 8.310 nan 0.000 0.514 352 S N 3.631 119.339 115.700 0.015 0.000 2.593 352 S HA 0.022 4.492 4.470 0.000 0.000 0.300 352 S C -0.913 173.697 174.600 0.016 0.000 1.267 352 S CA -0.952 57.257 58.200 0.015 0.000 1.065 352 S CB 0.734 63.944 63.200 0.016 0.000 0.807 352 S HN 0.187 nan 8.310 nan 0.000 0.499 353 P HA -0.041 nan 4.420 nan 0.000 0.219 353 P C 0.242 177.553 177.300 0.018 0.000 1.150 353 P CA 0.489 63.599 63.100 0.016 0.000 0.814 353 P CB 0.006 31.715 31.700 0.016 0.000 0.787 354 K N 1.120 121.531 120.400 0.020 0.000 2.383 354 K HA 0.015 4.335 4.320 0.000 0.000 0.286 354 K C 1.312 177.925 176.600 0.021 0.000 1.051 354 K CA 0.150 56.450 56.287 0.022 0.000 0.974 354 K CB 0.301 32.815 32.500 0.023 0.000 0.968 354 K HN 0.005 nan 8.250 nan 0.000 0.475 355 E N 3.659 123.871 120.200 0.021 0.000 2.051 355 E HA -0.164 4.187 4.350 0.000 0.000 0.192 355 E C 1.323 177.934 176.600 0.017 0.000 0.991 355 E CA 1.996 58.408 56.400 0.020 0.000 0.799 355 E CB -0.117 29.595 29.700 0.021 0.000 0.748 355 E HN 0.713 nan 8.360 nan 0.000 0.449 356 N N 0.052 118.761 118.700 0.016 0.000 2.443 356 N HA -0.103 4.637 4.740 0.000 0.000 0.184 356 N C 1.726 177.244 175.510 0.013 0.000 1.037 356 N CA 0.831 53.886 53.050 0.009 0.000 0.896 356 N CB -0.056 38.438 38.487 0.011 0.000 0.959 356 N HN 0.330 nan 8.380 nan 0.000 0.442 357 I N 1.031 121.613 120.570 0.020 0.000 2.406 357 I HA -0.172 3.998 4.170 0.000 0.000 0.249 357 I C 1.976 178.112 176.117 0.032 0.000 1.122 357 I CA 0.842 62.156 61.300 0.023 0.000 1.431 357 I CB 0.006 38.017 38.000 0.018 0.000 1.087 357 I HN 0.024 nan 8.210 nan 0.000 0.424 358 K N 0.850 121.267 120.400 0.028 0.000 2.057 358 K HA -0.229 4.091 4.320 0.000 0.000 0.207 358 K C 2.112 178.738 176.600 0.044 0.000 1.049 358 K CA 1.273 57.580 56.287 0.033 0.000 0.931 358 K CB -0.137 32.379 32.500 0.026 0.000 0.714 358 K HN 0.194 nan 8.250 nan 0.000 0.440 359 K N 1.722 122.144 120.400 0.036 0.000 1.978 359 K HA -0.208 4.112 4.320 0.000 0.000 0.214 359 K C 1.804 178.459 176.600 0.091 0.000 1.049 359 K CA 1.863 58.173 56.287 0.038 0.000 0.939 359 K CB 0.001 32.500 32.500 -0.002 0.000 0.721 359 K HN 0.130 nan 8.250 nan 0.000 0.441 360 E N -0.057 120.196 120.200 0.087 0.000 2.265 360 E HA -0.182 4.168 4.350 0.000 0.000 0.196 360 E C 1.853 178.622 176.600 0.280 0.000 0.996 360 E CA 0.766 57.298 56.400 0.220 0.000 0.832 360 E CB -0.071 29.719 29.700 0.150 0.000 0.756 360 E HN 0.448 nan 8.360 nan 0.000 0.491 361 A N 0.883 123.791 122.820 0.146 0.000 1.898 361 A HA -0.155 4.165 4.320 0.000 0.000 0.216 361 A C 2.403 180.044 177.584 0.096 0.000 1.181 361 A CA 0.944 53.039 52.037 0.097 0.000 0.620 361 A CB -0.677 18.356 19.000 0.056 0.000 0.819 361 A HN 0.334 nan 8.150 nan 0.000 0.442 362 C N -2.670 116.700 119.300 0.116 0.000 2.440 362 C HA -0.099 4.362 4.460 0.000 0.000 0.278 362 C C 2.318 177.399 174.990 0.152 0.000 1.295 362 C CA 0.508 59.593 59.018 0.111 0.000 1.738 362 C CB -1.519 26.284 27.740 0.105 0.000 1.987 362 C HN 0.879 nan 8.230 nan 0.000 0.492 363 W N 2.029 123.317 121.300 -0.020 0.000 2.333 363 W HA -0.177 4.483 4.660 0.000 0.000 0.316 363 W C 2.301 178.791 176.519 -0.048 0.000 1.215 363 W CA 2.436 59.751 57.345 -0.050 0.000 1.278 363 W CB -0.935 28.487 29.460 -0.064 0.000 1.154 363 W HN 0.196 nan 8.180 nan 0.000 0.486 364 T N 1.695 116.162 114.554 -0.146 0.000 2.652 364 T HA -0.262 4.088 4.350 0.000 0.000 0.267 364 T C 1.904 176.460 174.700 -0.240 0.000 1.039 364 T CA 2.507 64.380 62.100 -0.379 0.000 1.153 364 T CB -0.687 68.075 68.868 -0.178 0.000 0.863 364 T HN 0.193 nan 8.240 nan 0.000 0.428 365 I N 1.967 122.478 120.570 -0.098 0.000 2.185 365 I HA -0.255 3.915 4.170 0.000 0.000 0.246 365 I C 2.837 178.918 176.117 -0.059 0.000 1.088 365 I CA 1.658 62.924 61.300 -0.057 0.000 1.347 365 I CB -0.590 37.408 38.000 -0.003 0.000 1.041 365 I HN 0.363 nan 8.210 nan 0.000 0.415 366 S N 0.808 116.478 115.700 -0.049 0.000 2.399 366 S HA -0.159 4.311 4.470 0.000 0.000 0.231 366 S C 1.733 176.284 174.600 -0.081 0.000 1.022 366 S CA 1.196 59.391 58.200 -0.007 0.000 0.983 366 S CB -0.462 62.785 63.200 0.078 0.000 0.803 366 S HN 0.437 nan 8.310 nan 0.000 0.480 367 N N 1.179 119.746 118.700 -0.222 0.000 2.494 367 N HA 0.214 4.954 4.740 0.000 0.000 0.182 367 N C 1.434 176.849 175.510 -0.158 0.000 1.076 367 N CA 0.789 53.698 53.050 -0.236 0.000 0.908 367 N CB -0.170 38.076 38.487 -0.401 0.000 0.967 367 N HN 0.556 nan 8.380 nan 0.000 0.449 368 I N 0.193 120.686 120.570 -0.129 0.000 3.035 368 I HA -0.086 4.084 4.170 0.000 0.000 0.271 368 I C 1.677 177.767 176.117 -0.045 0.000 1.190 368 I CA 0.821 62.069 61.300 -0.087 0.000 1.472 368 I CB -0.113 37.838 38.000 -0.081 0.000 1.116 368 I HN 0.063 nan 8.210 nan 0.000 0.443 369 T N -1.457 113.082 114.554 -0.025 0.000 3.148 369 T HA 0.224 4.574 4.350 0.000 0.000 0.253 369 T C 1.432 176.142 174.700 0.016 0.000 1.134 369 T CA 0.528 62.631 62.100 0.006 0.000 1.051 369 T CB 0.134 69.020 68.868 0.030 0.000 0.959 369 T HN 0.251 nan 8.240 nan 0.000 0.525 370 A N 0.627 123.446 122.820 -0.001 0.000 2.275 370 A HA 0.683 5.004 4.320 0.000 0.000 0.212 370 A C 1.432 179.013 177.584 -0.005 0.000 1.201 370 A CA 0.053 52.096 52.037 0.010 0.000 0.843 370 A CB -0.489 18.508 19.000 -0.006 0.000 0.873 370 A HN 0.596 nan 8.150 nan 0.000 0.492 371 G N 0.518 109.308 108.800 -0.016 0.000 2.531 371 G HA2 0.360 4.320 3.960 0.000 0.000 0.253 371 G HA3 0.360 4.320 3.960 0.000 0.000 0.253 371 G C 0.152 175.047 174.900 -0.008 0.000 1.439 371 G CA -0.130 44.959 45.100 -0.019 0.000 1.056 371 G HN 0.610 nan 8.290 nan 0.000 0.555 372 N N -1.625 117.069 118.700 -0.011 0.000 2.288 372 N HA 0.125 4.865 4.740 0.000 0.000 0.237 372 N C 1.120 176.628 175.510 -0.004 0.000 1.311 372 N CA 0.504 53.551 53.050 -0.006 0.000 0.909 372 N CB -0.209 38.273 38.487 -0.009 0.000 1.167 372 N HN 0.242 nan 8.380 nan 0.000 0.476 373 T N -1.392 113.161 114.554 -0.001 0.000 2.720 373 T HA -0.186 4.164 4.350 0.000 0.000 0.268 373 T C 2.014 176.710 174.700 -0.005 0.000 1.037 373 T CA 2.260 64.360 62.100 -0.000 0.000 1.144 373 T CB -0.946 67.923 68.868 0.001 0.000 0.864 373 T HN 0.724 nan 8.240 nan 0.000 0.444 374 E N 1.774 121.968 120.200 -0.010 0.000 2.077 374 E HA -0.214 4.136 4.350 0.000 0.000 0.193 374 E C 1.951 178.541 176.600 -0.017 0.000 0.989 374 E CA 1.431 57.823 56.400 -0.014 0.000 0.800 374 E CB -1.027 28.664 29.700 -0.015 0.000 0.746 374 E HN 0.748 nan 8.360 nan 0.000 0.452 375 Q N -0.577 119.214 119.800 -0.016 0.000 2.224 375 Q HA 0.040 4.380 4.340 0.000 0.000 0.203 375 Q C 2.440 178.431 176.000 -0.014 0.000 0.970 375 Q CA 1.261 57.052 55.803 -0.019 0.000 0.865 375 Q CB -0.170 28.554 28.738 -0.023 0.000 0.922 375 Q HN 0.610 nan 8.270 nan 0.000 0.445 376 I N 0.390 120.957 120.570 -0.006 0.000 2.315 376 I HA -0.253 3.917 4.170 0.000 0.000 0.248 376 I C 2.452 178.569 176.117 0.000 0.000 1.117 376 I CA 0.953 62.256 61.300 0.005 0.000 1.404 376 I CB -0.099 37.909 38.000 0.014 0.000 1.071 376 I HN 0.210 nan 8.210 nan 0.000 0.419 377 Q N 1.348 121.140 119.800 -0.013 0.000 2.119 377 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 377 Q C 2.176 178.152 176.000 -0.040 0.000 0.972 377 Q CA 1.987 57.770 55.803 -0.033 0.000 0.847 377 Q CB -0.248 28.467 28.738 -0.037 0.000 0.903 377 Q HN 0.464 nan 8.270 nan 0.000 0.433 378 A N -0.524 122.279 122.820 -0.029 0.000 1.883 378 A HA -0.169 4.151 4.320 0.000 0.000 0.217 378 A C 2.257 179.827 177.584 -0.023 0.000 1.186 378 A CA 1.824 53.844 52.037 -0.028 0.000 0.624 378 A CB -0.975 18.011 19.000 -0.025 0.000 0.822 378 A HN 0.273 nan 8.150 nan 0.000 0.444 379 V N 0.157 120.063 119.914 -0.012 0.000 2.343 379 V HA -0.270 3.850 4.120 0.000 0.000 0.247 379 V C 2.415 178.518 176.094 0.014 0.000 1.051 379 V CA 1.997 64.298 62.300 0.003 0.000 1.036 379 V CB -0.663 31.168 31.823 0.013 0.000 0.654 379 V HN 0.572 nan 8.190 nan 0.000 0.451 380 I N 0.057 120.629 120.570 0.004 0.000 2.226 380 I HA -0.219 3.951 4.170 0.000 0.000 0.245 380 I C 2.218 178.283 176.117 -0.087 0.000 1.100 380 I CA 1.570 62.860 61.300 -0.017 0.000 1.374 380 I CB -0.444 37.490 38.000 -0.109 0.000 1.057 380 I HN 0.342 nan 8.210 nan 0.000 0.413 381 D N 1.003 121.350 120.400 -0.088 0.000 2.224 381 D HA -0.076 4.564 4.640 0.000 0.000 0.205 381 D C 2.138 178.413 176.300 -0.042 0.000 0.965 381 D CA 1.199 55.150 54.000 -0.083 0.000 0.852 381 D CB 0.021 40.779 40.800 -0.071 0.000 0.947 381 D HN 0.322 nan 8.370 nan 0.000 0.494 382 A N 0.438 123.245 122.820 -0.022 0.000 2.168 382 A HA -0.109 4.211 4.320 0.000 0.000 0.215 382 A C 0.797 178.386 177.584 0.007 0.000 1.152 382 A CA 0.362 52.394 52.037 -0.008 0.000 0.716 382 A CB -0.140 18.857 19.000 -0.005 0.000 0.794 382 A HN 0.192 nan 8.150 nan 0.000 0.465 383 N N -1.980 116.733 118.700 0.022 0.000 2.862 383 N HA -0.132 4.608 4.740 0.000 0.000 0.246 383 N C -0.012 175.533 175.510 0.058 0.000 1.101 383 N CA 0.572 53.655 53.050 0.054 0.000 0.679 383 N CB -1.102 37.408 38.487 0.038 0.000 0.986 383 N HN 0.269 nan 8.380 nan 0.000 0.557 384 L N 0.106 121.366 121.223 0.063 0.000 2.463 384 L HA 0.214 4.554 4.340 0.000 0.000 0.219 384 L C 2.295 179.200 176.870 0.058 0.000 1.088 384 L CA 0.299 55.169 54.840 0.050 0.000 0.849 384 L CB -0.146 41.936 42.059 0.037 0.000 1.012 384 L HN 0.291 nan 8.230 nan 0.000 0.468 385 I N 0.734 121.361 120.570 0.096 0.000 2.127 385 I HA -0.186 3.984 4.170 0.000 0.000 0.241 385 I C -0.018 176.105 176.117 0.009 0.000 1.075 385 I CA 1.649 62.987 61.300 0.063 0.000 1.334 385 I CB -2.342 35.721 38.000 0.103 0.000 1.040 385 I HN 0.161 nan 8.210 nan 0.000 0.405 386 P HA -0.144 nan 4.420 nan 0.000 0.214 386 P C -1.144 176.153 177.300 -0.005 0.000 1.169 386 P CA 2.337 65.431 63.100 -0.009 0.000 0.908 386 P CB -1.296 30.413 31.700 0.015 0.000 0.791 387 P HA -0.133 nan 4.420 nan 0.000 0.218 387 P C 1.592 178.897 177.300 0.008 0.000 1.149 387 P CA 1.169 64.275 63.100 0.009 0.000 0.817 387 P CB -0.289 31.421 31.700 0.015 0.000 0.785 388 L N 0.026 121.255 121.223 0.011 0.000 2.017 388 L HA -0.122 4.218 4.340 0.000 0.000 0.208 388 L C 2.773 179.643 176.870 0.001 0.000 1.073 388 L CA 1.556 56.404 54.840 0.014 0.000 0.745 388 L CB -1.501 40.571 42.059 0.021 0.000 0.894 388 L HN -0.189 nan 8.230 nan 0.000 0.432 389 V N -0.706 119.199 119.914 -0.015 0.000 2.343 389 V HA -0.295 3.825 4.120 0.000 0.000 0.247 389 V C 2.598 178.680 176.094 -0.020 0.000 1.051 389 V CA 1.748 64.030 62.300 -0.029 0.000 1.036 389 V CB -0.558 31.230 31.823 -0.057 0.000 0.654 389 V HN 0.393 nan 8.190 nan 0.000 0.451 390 K N 0.456 120.847 120.400 -0.014 0.000 2.026 390 K HA -0.111 4.209 4.320 0.000 0.000 0.208 390 K C 1.905 178.505 176.600 0.000 0.000 1.048 390 K CA 1.694 57.976 56.287 -0.008 0.000 0.929 390 K CB -0.590 31.907 32.500 -0.005 0.000 0.713 390 K HN 0.395 nan 8.250 nan 0.000 0.439 391 L N 0.488 121.715 121.223 0.006 0.000 2.141 391 L HA -0.106 4.234 4.340 0.000 0.000 0.209 391 L C 2.248 179.125 176.870 0.012 0.000 1.094 391 L CA 0.439 55.286 54.840 0.012 0.000 0.763 391 L CB -0.390 41.679 42.059 0.017 0.000 0.908 391 L HN 0.284 nan 8.230 nan 0.000 0.437 392 L N 0.811 122.038 121.223 0.007 0.000 2.191 392 L HA -0.196 4.144 4.340 0.000 0.000 0.212 392 L C 2.332 179.207 176.870 0.009 0.000 1.103 392 L CA 2.187 57.030 54.840 0.005 0.000 0.769 392 L CB -0.456 41.600 42.059 -0.005 0.000 0.908 392 L HN 0.553 nan 8.230 nan 0.000 0.438 393 E N -0.696 119.507 120.200 0.005 0.000 2.307 393 E HA -0.057 4.293 4.350 0.000 0.000 0.195 393 E C 1.473 178.083 176.600 0.017 0.000 0.975 393 E CA 1.032 57.437 56.400 0.008 0.000 0.878 393 E CB 0.028 29.726 29.700 -0.004 0.000 0.845 393 E HN 0.353 nan 8.360 nan 0.000 0.488 394 V N -2.718 117.207 119.914 0.017 0.000 3.502 394 V HA 0.555 4.675 4.120 0.000 0.000 0.288 394 V C 0.975 177.086 176.094 0.028 0.000 1.461 394 V CA -0.162 62.151 62.300 0.022 0.000 1.029 394 V CB 0.226 32.057 31.823 0.014 0.000 0.843 394 V HN 0.296 nan 8.190 nan 0.000 0.438 395 A N 1.048 123.886 122.820 0.029 0.000 2.325 395 A HA 0.495 4.815 4.320 0.000 0.000 0.260 395 A C 0.580 178.193 177.584 0.049 0.000 1.133 395 A CA -0.136 51.920 52.037 0.032 0.000 0.801 395 A CB -0.006 19.008 19.000 0.023 0.000 1.092 395 A HN 0.481 nan 8.150 nan 0.000 0.504 396 E N -1.398 118.832 120.200 0.049 0.000 2.391 396 E HA 0.044 4.394 4.350 0.000 0.000 0.255 396 E C 0.577 177.239 176.600 0.104 0.000 1.187 396 E CA -0.089 56.357 56.400 0.076 0.000 0.941 396 E CB 0.117 29.854 29.700 0.062 0.000 1.010 396 E HN 0.654 nan 8.360 nan 0.000 0.458 397 Y N 2.369 122.682 120.300 0.021 0.000 2.145 397 Y HA -0.249 4.301 4.550 0.000 0.000 0.286 397 Y C 2.243 178.165 175.900 0.037 0.000 1.145 397 Y CA 2.468 60.584 58.100 0.027 0.000 1.148 397 Y CB -0.090 38.383 38.460 0.023 0.000 0.981 397 Y HN 0.517 nan 8.280 nan 0.000 0.507 398 K N -1.769 118.605 120.400 -0.044 0.000 2.360 398 K HA -0.137 4.183 4.320 0.000 0.000 0.201 398 K C 1.529 178.056 176.600 -0.121 0.000 1.046 398 K CA 1.863 58.078 56.287 -0.119 0.000 0.940 398 K CB -0.512 31.980 32.500 -0.013 0.000 0.748 398 K HN 0.243 nan 8.250 nan 0.000 0.465 399 T N 1.055 115.562 114.554 -0.078 0.000 2.953 399 T HA 0.053 4.403 4.350 0.000 0.000 0.247 399 T C 1.474 176.147 174.700 -0.046 0.000 1.029 399 T CA 0.600 62.678 62.100 -0.036 0.000 1.144 399 T CB 0.063 68.931 68.868 -0.000 0.000 0.870 399 T HN 0.249 nan 8.240 nan 0.000 0.446 400 K N 1.493 121.851 120.400 -0.070 0.000 2.074 400 K HA -0.156 4.164 4.320 0.000 0.000 0.209 400 K C 2.281 178.829 176.600 -0.088 0.000 1.048 400 K CA 1.257 57.512 56.287 -0.054 0.000 0.926 400 K CB -0.138 32.349 32.500 -0.022 0.000 0.713 400 K HN 0.204 nan 8.250 nan 0.000 0.444 401 K N 1.190 121.446 120.400 -0.239 0.000 2.059 401 K HA -0.261 4.059 4.320 0.000 0.000 0.212 401 K C 2.024 178.695 176.600 0.119 0.000 1.050 401 K CA 1.900 58.074 56.287 -0.188 0.000 0.927 401 K CB 0.033 32.319 32.500 -0.357 0.000 0.714 401 K HN -0.008 nan 8.250 nan 0.000 0.447 402 E N -0.218 120.047 120.200 0.109 0.000 2.072 402 E HA -0.047 4.303 4.350 0.000 0.000 0.190 402 E C 1.709 178.430 176.600 0.202 0.000 0.982 402 E CA 1.238 57.766 56.400 0.213 0.000 0.803 402 E CB -0.223 29.561 29.700 0.140 0.000 0.755 402 E HN 0.413 nan 8.360 nan 0.000 0.453 403 A N 0.260 123.143 122.820 0.105 0.000 1.908 403 A HA -0.270 4.051 4.320 0.000 0.000 0.218 403 A C 2.535 180.165 177.584 0.076 0.000 1.181 403 A CA 1.702 53.785 52.037 0.077 0.000 0.627 403 A CB -1.332 17.690 19.000 0.037 0.000 0.818 403 A HN 0.506 nan 8.150 nan 0.000 0.445 404 C N -1.614 117.717 119.300 0.053 0.000 2.388 404 C HA -0.199 4.261 4.460 0.000 0.000 0.277 404 C C 2.371 177.356 174.990 -0.009 0.000 1.210 404 C CA 1.371 60.377 59.018 -0.019 0.000 1.743 404 C CB -1.719 25.964 27.740 -0.095 0.000 2.047 404 C HN 0.739 nan 8.230 nan 0.000 0.458 405 W N 1.066 122.369 121.300 0.005 0.000 2.315 405 W HA -0.127 4.533 4.660 0.000 0.000 0.323 405 W C 2.779 179.303 176.519 0.009 0.000 1.233 405 W CA 2.302 59.656 57.345 0.014 0.000 1.267 405 W CB -1.121 28.359 29.460 0.033 0.000 1.160 405 W HN 0.468 nan 8.180 nan 0.000 0.474 406 A N 0.466 123.444 122.820 0.264 0.000 1.881 406 A HA -0.293 4.027 4.320 0.000 0.000 0.219 406 A C 1.882 179.522 177.584 0.093 0.000 1.215 406 A CA 2.603 54.725 52.037 0.143 0.000 0.648 406 A CB -1.250 17.811 19.000 0.101 0.000 0.832 406 A HN 0.337 nan 8.150 nan 0.000 0.455 407 I N -0.986 119.621 120.570 0.063 0.000 2.226 407 I HA -0.215 3.955 4.170 0.000 0.000 0.245 407 I C 2.848 178.975 176.117 0.017 0.000 1.100 407 I CA 1.537 62.854 61.300 0.028 0.000 1.374 407 I CB -0.343 37.658 38.000 0.002 0.000 1.057 407 I HN 0.448 nan 8.210 nan 0.000 0.413 408 S N 1.078 116.779 115.700 0.002 0.000 2.356 408 S HA -0.166 4.304 4.470 0.000 0.000 0.223 408 S C 1.868 176.480 174.600 0.019 0.000 1.032 408 S CA 1.560 59.742 58.200 -0.029 0.000 1.005 408 S CB -0.283 62.840 63.200 -0.129 0.000 0.867 408 S HN 0.413 nan 8.310 nan 0.000 0.449 409 N N 1.772 120.519 118.700 0.079 0.000 2.223 409 N HA -0.038 4.702 4.740 0.000 0.000 0.185 409 N C 1.817 177.363 175.510 0.059 0.000 1.016 409 N CA 1.202 54.310 53.050 0.095 0.000 0.863 409 N CB -0.676 37.894 38.487 0.138 0.000 0.983 409 N HN 0.525 nan 8.380 nan 0.000 0.429 410 A N 1.107 123.958 122.820 0.052 0.000 1.898 410 A HA -0.126 4.194 4.320 0.000 0.000 0.216 410 A C 2.383 179.989 177.584 0.038 0.000 1.181 410 A CA 1.857 53.921 52.037 0.045 0.000 0.620 410 A CB -0.744 18.286 19.000 0.051 0.000 0.819 410 A HN 0.449 nan 8.150 nan 0.000 0.442 411 S N -0.157 115.559 115.700 0.027 0.000 2.442 411 S HA -0.123 4.348 4.470 0.000 0.000 0.236 411 S C 1.906 176.518 174.600 0.021 0.000 1.007 411 S CA 1.474 59.686 58.200 0.019 0.000 0.965 411 S CB -0.593 62.609 63.200 0.002 0.000 0.773 411 S HN 0.442 nan 8.310 nan 0.000 0.504 412 S N 2.078 117.793 115.700 0.025 0.000 2.348 412 S HA 0.028 4.498 4.470 0.000 0.000 0.221 412 S C 1.955 176.570 174.600 0.025 0.000 1.033 412 S CA 1.135 59.351 58.200 0.026 0.000 1.010 412 S CB -1.170 62.050 63.200 0.033 0.000 0.891 412 S HN 0.773 nan 8.310 nan 0.000 0.442 413 G N 0.558 109.374 108.800 0.026 0.000 2.959 413 G HA2 0.144 4.104 3.960 0.000 0.000 0.203 413 G HA3 0.144 4.104 3.960 0.000 0.000 0.203 413 G C 1.007 175.922 174.900 0.024 0.000 1.176 413 G CA 0.584 45.698 45.100 0.023 0.000 0.860 413 G HN 0.536 nan 8.290 nan 0.000 0.507 414 G N -0.019 108.796 108.800 0.025 0.000 2.494 414 G HA2 0.169 4.129 3.960 0.000 0.000 0.216 414 G HA3 0.169 4.129 3.960 0.000 0.000 0.216 414 G C 1.833 176.746 174.900 0.022 0.000 1.140 414 G CA 1.057 46.172 45.100 0.026 0.000 0.801 414 G HN 0.615 nan 8.290 nan 0.000 0.536 415 L N 0.041 121.277 121.223 0.021 0.000 2.012 415 L HA 0.162 4.502 4.340 0.000 0.000 0.210 415 L C 2.998 179.879 176.870 0.018 0.000 1.073 415 L CA 3.163 58.015 54.840 0.021 0.000 0.748 415 L CB -1.788 40.284 42.059 0.021 0.000 0.891 415 L HN 0.514 nan 8.230 nan 0.000 0.431 416 Q N 0.188 119.998 119.800 0.016 0.000 1.994 416 Q HA -0.036 4.304 4.340 0.000 0.000 0.198 416 Q C 1.904 177.912 176.000 0.013 0.000 0.976 416 Q CA 1.221 57.032 55.803 0.013 0.000 0.828 416 Q CB -0.327 28.418 28.738 0.011 0.000 0.894 416 Q HN 0.831 nan 8.270 nan 0.000 0.432 417 R N 1.215 121.724 120.500 0.015 0.000 2.287 417 R HA 0.220 4.560 4.340 0.000 0.000 0.316 417 R C -2.017 174.297 176.300 0.024 0.000 1.050 417 R CA -1.664 54.446 56.100 0.016 0.000 0.983 417 R CB 1.523 31.831 30.300 0.012 0.000 1.140 417 R HN 0.353 nan 8.270 nan 0.000 0.528 418 P HA -0.187 nan 4.420 nan 0.000 0.220 418 P C -0.110 177.213 177.300 0.038 0.000 1.144 418 P CA 1.279 64.396 63.100 0.028 0.000 0.800 418 P CB 0.459 32.173 31.700 0.024 0.000 0.772 419 D N -0.237 120.186 120.400 0.038 0.000 2.178 419 D HA -0.065 4.575 4.640 0.000 0.000 0.202 419 D C 2.095 178.447 176.300 0.087 0.000 0.974 419 D CA 0.647 54.680 54.000 0.054 0.000 0.841 419 D CB -0.625 40.196 40.800 0.035 0.000 0.953 419 D HN 0.204 nan 8.370 nan 0.000 0.478 420 I N 0.718 121.332 120.570 0.074 0.000 2.151 420 I HA -0.261 3.909 4.170 0.000 0.000 0.243 420 I C 1.959 178.149 176.117 0.122 0.000 1.080 420 I CA 0.723 62.087 61.300 0.108 0.000 1.339 420 I CB -0.233 37.809 38.000 0.070 0.000 1.039 420 I HN 0.080 nan 8.210 nan 0.000 0.409 421 I N 0.600 121.215 120.570 0.074 0.000 2.226 421 I HA -0.268 3.903 4.170 0.000 0.000 0.245 421 I C 2.669 178.819 176.117 0.056 0.000 1.100 421 I CA 1.618 62.948 61.300 0.051 0.000 1.374 421 I CB -1.276 36.744 38.000 0.033 0.000 1.057 421 I HN 0.280 nan 8.210 nan 0.000 0.413 422 R N -0.483 120.063 120.500 0.076 0.000 2.091 422 R HA -0.240 4.100 4.340 0.000 0.000 0.238 422 R C 2.388 178.744 176.300 0.093 0.000 1.136 422 R CA 1.703 57.851 56.100 0.081 0.000 0.959 422 R CB -0.602 29.748 30.300 0.084 0.000 0.856 422 R HN 0.307 nan 8.270 nan 0.000 0.437 423 Y N 1.536 121.839 120.300 0.005 0.000 2.049 423 Y HA -0.253 4.297 4.550 0.000 0.000 0.277 423 Y C 1.959 177.853 175.900 -0.009 0.000 1.143 423 Y CA 1.427 59.526 58.100 -0.002 0.000 1.115 423 Y CB -0.649 37.810 38.460 -0.002 0.000 0.975 423 Y HN -0.113 nan 8.280 nan 0.000 0.487 424 L N -0.417 120.711 121.223 -0.157 0.000 2.021 424 L HA -0.271 4.070 4.340 0.000 0.000 0.215 424 L C 2.597 179.342 176.870 -0.209 0.000 1.074 424 L CA 1.718 56.421 54.840 -0.228 0.000 0.760 424 L CB -1.495 40.525 42.059 -0.064 0.000 0.889 424 L HN 0.197 nan 8.230 nan 0.000 0.433 425 V N -0.659 119.183 119.914 -0.119 0.000 2.427 425 V HA -0.235 3.886 4.120 0.000 0.000 0.248 425 V C 2.548 178.536 176.094 -0.178 0.000 1.051 425 V CA 1.614 63.845 62.300 -0.115 0.000 1.048 425 V CB -0.732 31.081 31.823 -0.017 0.000 0.666 425 V HN 0.703 nan 8.190 nan 0.000 0.456 426 S N -0.489 115.119 115.700 -0.154 0.000 2.442 426 S HA -0.202 4.268 4.470 0.000 0.000 0.236 426 S C 1.706 176.183 174.600 -0.206 0.000 1.007 426 S CA 0.916 59.029 58.200 -0.145 0.000 0.965 426 S CB -0.288 62.878 63.200 -0.057 0.000 0.773 426 S HN 0.573 nan 8.310 nan 0.000 0.504 427 Q N 0.874 120.491 119.800 -0.305 0.000 2.403 427 Q HA 0.267 4.608 4.340 0.000 0.000 0.203 427 Q C 1.176 177.053 176.000 -0.206 0.000 0.932 427 Q CA 0.604 56.234 55.803 -0.288 0.000 0.945 427 Q CB -0.111 28.369 28.738 -0.431 0.000 1.045 427 Q HN 0.810 nan 8.270 nan 0.000 0.511 428 G N 1.536 110.212 108.800 -0.208 0.000 2.291 428 G HA2 -0.292 3.668 3.960 0.000 0.000 0.271 428 G HA3 -0.292 3.668 3.960 0.000 0.000 0.271 428 G C 0.761 175.577 174.900 -0.141 0.000 1.099 428 G CA 0.311 45.301 45.100 -0.183 0.000 0.919 428 G HN 0.509 nan 8.290 nan 0.000 0.496 429 C N -1.788 117.432 119.300 -0.135 0.000 2.590 429 C HA 0.475 4.936 4.460 0.000 0.000 0.272 429 C C 2.520 177.465 174.990 -0.074 0.000 1.338 429 C CA 0.700 59.661 59.018 -0.094 0.000 1.746 429 C CB -0.888 26.799 27.740 -0.088 0.000 2.020 429 C HN 0.564 nan 8.230 nan 0.000 0.531 430 I N 2.053 122.572 120.570 -0.085 0.000 2.091 430 I HA -0.230 3.940 4.170 0.000 0.000 0.239 430 I C 2.867 178.961 176.117 -0.038 0.000 1.061 430 I CA 2.210 63.479 61.300 -0.051 0.000 1.317 430 I CB -0.521 37.450 38.000 -0.048 0.000 1.031 430 I HN 0.271 nan 8.210 nan 0.000 0.401 431 K N 1.423 121.790 120.400 -0.055 0.000 2.032 431 K HA -0.159 4.161 4.320 0.000 0.000 0.209 431 K C -0.710 175.874 176.600 -0.026 0.000 1.048 431 K CA 1.922 58.187 56.287 -0.036 0.000 0.927 431 K CB -1.403 31.068 32.500 -0.048 0.000 0.712 431 K HN 0.153 nan 8.250 nan 0.000 0.441 432 P HA -0.088 nan 4.420 nan 0.000 0.221 432 P C 0.967 178.258 177.300 -0.015 0.000 1.150 432 P CA 0.679 63.766 63.100 -0.021 0.000 0.800 432 P CB 0.124 31.808 31.700 -0.026 0.000 0.787 433 L N -0.858 120.351 121.223 -0.023 0.000 2.023 433 L HA -0.114 4.226 4.340 0.000 0.000 0.205 433 L C 2.364 179.224 176.870 -0.016 0.000 1.073 433 L CA 1.735 56.561 54.840 -0.023 0.000 0.745 433 L CB -1.463 40.578 42.059 -0.031 0.000 0.900 433 L HN 0.016 nan 8.230 nan 0.000 0.435 434 C N -0.224 119.069 119.300 -0.013 0.000 2.413 434 C HA -0.161 4.299 4.460 0.000 0.000 0.276 434 C C 2.277 177.262 174.990 -0.008 0.000 1.248 434 C CA 0.719 59.730 59.018 -0.011 0.000 1.742 434 C CB -0.952 26.784 27.740 -0.006 0.000 2.017 434 C HN 0.541 nan 8.230 nan 0.000 0.481 435 D N 0.499 120.896 120.400 -0.005 0.000 2.264 435 D HA -0.076 4.564 4.640 0.000 0.000 0.208 435 D C 1.800 178.106 176.300 0.010 0.000 0.966 435 D CA 0.570 54.571 54.000 0.001 0.000 0.864 435 D CB -0.453 40.348 40.800 0.002 0.000 0.933 435 D HN 0.333 nan 8.370 nan 0.000 0.499 436 L N 0.419 121.651 121.223 0.015 0.000 2.201 436 L HA -0.026 4.314 4.340 0.000 0.000 0.212 436 L C 1.911 178.800 176.870 0.032 0.000 1.105 436 L CA 1.062 55.926 54.840 0.040 0.000 0.775 436 L CB -0.357 41.725 42.059 0.039 0.000 0.913 436 L HN 0.004 nan 8.230 nan 0.000 0.440 437 L N -0.687 120.540 121.223 0.007 0.000 2.187 437 L HA -0.198 4.142 4.340 0.000 0.000 0.213 437 L C 2.402 179.268 176.870 -0.007 0.000 1.100 437 L CA 1.147 55.985 54.840 -0.003 0.000 0.765 437 L CB -0.495 41.555 42.059 -0.016 0.000 0.904 437 L HN 0.295 nan 8.230 nan 0.000 0.437 438 E N 0.776 120.972 120.200 -0.007 0.000 2.274 438 E HA -0.160 4.190 4.350 0.000 0.000 0.194 438 E C 1.682 178.264 176.600 -0.030 0.000 0.996 438 E CA 1.000 57.391 56.400 -0.016 0.000 0.840 438 E CB 0.110 29.802 29.700 -0.012 0.000 0.772 438 E HN 0.694 nan 8.360 nan 0.000 0.491 439 I N -4.303 116.249 120.570 -0.031 0.000 4.439 439 I HA 0.507 4.677 4.170 0.000 0.000 0.331 439 I C 0.803 176.829 176.117 -0.152 0.000 1.345 439 I CA -0.405 60.840 61.300 -0.091 0.000 1.193 439 I CB 0.282 38.226 38.000 -0.093 0.000 1.221 439 I HN -0.041 nan 8.210 nan 0.000 0.429 440 A N 2.402 125.206 122.820 -0.026 0.000 2.366 440 A HA 0.357 4.677 4.320 0.000 0.000 0.250 440 A C -0.421 177.170 177.584 0.011 0.000 1.099 440 A CA 0.192 52.267 52.037 0.063 0.000 0.794 440 A CB -0.073 19.012 19.000 0.142 0.000 1.056 440 A HN 0.624 nan 8.150 nan 0.000 0.499 441 D N -0.573 119.889 120.400 0.104 0.000 2.332 441 D HA 0.308 4.948 4.640 0.000 0.000 0.252 441 D C 0.531 176.873 176.300 0.070 0.000 1.050 441 D CA -0.699 53.343 54.000 0.069 0.000 0.970 441 D CB 0.376 41.244 40.800 0.113 0.000 1.141 441 D HN 0.332 nan 8.370 nan 0.000 0.485 442 N N 0.159 118.888 118.700 0.048 0.000 2.073 442 N HA -0.263 4.477 4.740 0.000 0.000 0.199 442 N C 1.510 177.043 175.510 0.038 0.000 1.023 442 N CA 1.469 54.541 53.050 0.036 0.000 0.880 442 N CB -0.317 38.191 38.487 0.034 0.000 1.052 442 N HN 0.390 nan 8.380 nan 0.000 0.449 443 R N 0.541 121.081 120.500 0.067 0.000 2.081 443 R HA 0.077 4.418 4.340 0.000 0.000 0.235 443 R C 1.727 178.035 176.300 0.014 0.000 1.131 443 R CA 0.883 57.028 56.100 0.075 0.000 0.960 443 R CB -0.524 29.867 30.300 0.151 0.000 0.856 443 R HN 0.221 nan 8.270 nan 0.000 0.436 444 I N 0.461 121.052 120.570 0.036 0.000 2.614 444 I HA -0.164 4.006 4.170 0.000 0.000 0.258 444 I C 1.922 177.993 176.117 -0.077 0.000 1.189 444 I CA 1.001 62.272 61.300 -0.049 0.000 1.462 444 I CB -0.671 37.367 38.000 0.065 0.000 1.092 444 I HN 0.211 nan 8.210 nan 0.000 0.442 445 I N 0.450 121.001 120.570 -0.030 0.000 2.439 445 I HA -0.216 3.954 4.170 0.000 0.000 0.251 445 I C 2.302 178.379 176.117 -0.067 0.000 1.139 445 I CA 0.959 62.237 61.300 -0.037 0.000 1.438 445 I CB -0.188 37.803 38.000 -0.015 0.000 1.085 445 I HN 0.232 nan 8.210 nan 0.000 0.427 446 E N 0.464 120.618 120.200 -0.076 0.000 2.072 446 E HA -0.149 4.201 4.350 0.000 0.000 0.191 446 E C 2.314 178.823 176.600 -0.152 0.000 0.985 446 E CA 1.153 57.500 56.400 -0.088 0.000 0.801 446 E CB 0.061 29.722 29.700 -0.065 0.000 0.750 446 E HN 0.276 nan 8.360 nan 0.000 0.452 447 V N 1.002 120.755 119.914 -0.268 0.000 2.515 447 V HA -0.195 3.925 4.120 0.000 0.000 0.250 447 V C 2.185 178.116 176.094 -0.271 0.000 1.058 447 V CA 1.882 63.933 62.300 -0.415 0.000 1.064 447 V CB -0.515 30.788 31.823 -0.866 0.000 0.675 447 V HN 0.301 nan 8.190 nan 0.000 0.461 448 T N 0.331 114.768 114.554 -0.196 0.000 2.812 448 T HA 0.010 4.360 4.350 0.000 0.000 0.264 448 T C 1.870 176.520 174.700 -0.083 0.000 1.042 448 T CA 1.140 63.166 62.100 -0.124 0.000 1.140 448 T CB -0.184 68.634 68.868 -0.083 0.000 0.870 448 T HN 0.287 nan 8.240 nan 0.000 0.445 449 L N 0.885 122.065 121.223 -0.071 0.000 2.141 449 L HA -0.070 4.270 4.340 0.000 0.000 0.209 449 L C 2.343 179.194 176.870 -0.032 0.000 1.094 449 L CA 0.945 55.762 54.840 -0.038 0.000 0.763 449 L CB -0.483 41.561 42.059 -0.025 0.000 0.908 449 L HN 0.169 nan 8.230 nan 0.000 0.437 450 D N 0.295 120.661 120.400 -0.056 0.000 2.117 450 D HA -0.118 4.522 4.640 0.000 0.000 0.198 450 D C 2.225 178.502 176.300 -0.038 0.000 0.982 450 D CA 1.435 55.410 54.000 -0.041 0.000 0.828 450 D CB 0.118 40.883 40.800 -0.059 0.000 0.967 450 D HN 0.287 nan 8.370 nan 0.000 0.464 451 A N 0.894 123.678 122.820 -0.059 0.000 1.855 451 A HA -0.100 4.220 4.320 0.000 0.000 0.215 451 A C 2.411 179.974 177.584 -0.035 0.000 1.191 451 A CA 0.815 52.823 52.037 -0.047 0.000 0.613 451 A CB -0.862 18.101 19.000 -0.063 0.000 0.829 451 A HN 0.180 nan 8.150 nan 0.000 0.442 452 L N -0.676 120.528 121.223 -0.033 0.000 2.079 452 L HA -0.228 4.112 4.340 0.000 0.000 0.210 452 L C 2.686 179.534 176.870 -0.036 0.000 1.081 452 L CA 1.879 56.706 54.840 -0.021 0.000 0.752 452 L CB -0.398 41.657 42.059 -0.005 0.000 0.896 452 L HN 0.637 nan 8.230 nan 0.000 0.433 453 E N 0.117 120.303 120.200 -0.025 0.000 2.047 453 E HA -0.203 4.147 4.350 0.000 0.000 0.191 453 E C 1.906 178.474 176.600 -0.052 0.000 0.987 453 E CA 1.038 57.421 56.400 -0.028 0.000 0.799 453 E CB 0.136 29.857 29.700 0.036 0.000 0.752 453 E HN 0.475 nan 8.360 nan 0.000 0.449 454 N N 0.889 119.574 118.700 -0.026 0.000 2.120 454 N HA -0.158 4.582 4.740 0.000 0.000 0.188 454 N C 2.093 177.581 175.510 -0.037 0.000 1.024 454 N CA 1.196 54.236 53.050 -0.017 0.000 0.852 454 N CB -0.282 38.203 38.487 -0.004 0.000 1.003 454 N HN 0.295 nan 8.380 nan 0.000 0.424 455 I N 1.175 121.719 120.570 -0.043 0.000 2.208 455 I HA -0.236 3.935 4.170 0.000 0.000 0.245 455 I C 2.028 178.094 176.117 -0.085 0.000 1.097 455 I CA 0.852 62.129 61.300 -0.039 0.000 1.363 455 I CB -0.175 37.812 38.000 -0.022 0.000 1.051 455 I HN 0.067 nan 8.210 nan 0.000 0.413 456 I N 0.955 121.418 120.570 -0.178 0.000 2.315 456 I HA -0.229 3.941 4.170 0.000 0.000 0.248 456 I C 2.428 178.330 176.117 -0.358 0.000 1.117 456 I CA 1.572 62.643 61.300 -0.382 0.000 1.404 456 I CB -0.908 36.634 38.000 -0.764 0.000 1.071 456 I HN 0.278 nan 8.210 nan 0.000 0.419 457 K N 0.420 120.701 120.400 -0.198 0.000 2.063 457 K HA -0.205 4.115 4.320 0.000 0.000 0.208 457 K C 2.437 179.039 176.600 0.005 0.000 1.048 457 K CA 2.244 58.525 56.287 -0.010 0.000 0.928 457 K CB -0.316 32.213 32.500 0.047 0.000 0.713 457 K HN 0.346 nan 8.250 nan 0.000 0.442 458 M N 0.719 120.309 119.600 -0.016 0.000 2.077 458 M HA 0.027 4.507 4.480 0.000 0.000 0.261 458 M C 2.565 178.863 176.300 -0.004 0.000 1.070 458 M CA 2.424 57.725 55.300 0.001 0.000 1.125 458 M CB -2.015 30.588 32.600 0.006 0.000 1.339 458 M HN 0.363 nan 8.290 nan 0.000 0.409 459 G N -0.437 108.347 108.800 -0.026 0.000 2.479 459 G HA2 -0.143 3.817 3.960 0.000 0.000 0.220 459 G HA3 -0.143 3.817 3.960 0.000 0.000 0.220 459 G C 1.480 176.364 174.900 -0.027 0.000 1.115 459 G CA 1.413 46.495 45.100 -0.030 0.000 0.757 459 G HN 0.705 nan 8.290 nan 0.000 0.560 460 E N 0.742 120.939 120.200 -0.005 0.000 2.060 460 E HA 0.214 4.564 4.350 0.000 0.000 0.189 460 E C 2.665 179.286 176.600 0.035 0.000 0.974 460 E CA 1.034 57.462 56.400 0.046 0.000 0.808 460 E CB -0.515 29.285 29.700 0.167 0.000 0.768 460 E HN 0.200 nan 8.360 nan 0.000 0.453 461 A N 0.387 123.227 122.820 0.034 0.000 2.070 461 A HA -0.169 4.151 4.320 0.000 0.000 0.220 461 A C 1.497 179.090 177.584 0.015 0.000 1.159 461 A CA 1.901 53.954 52.037 0.026 0.000 0.656 461 A CB -0.512 18.504 19.000 0.027 0.000 0.800 461 A HN 0.254 nan 8.150 nan 0.000 0.453 462 D N -1.337 119.068 120.400 0.009 0.000 2.240 462 D HA -0.023 4.617 4.640 0.000 0.000 0.206 462 D C 2.097 178.394 176.300 -0.004 0.000 0.963 462 D CA 1.161 55.163 54.000 0.003 0.000 0.863 462 D CB -0.013 40.788 40.800 0.002 0.000 0.973 462 D HN 0.268 nan 8.370 nan 0.000 0.501 463 K N 0.739 121.134 120.400 -0.008 0.000 2.113 463 K HA -0.199 4.121 4.320 0.000 0.000 0.208 463 K C 2.063 178.658 176.600 -0.009 0.000 1.047 463 K CA 1.906 58.183 56.287 -0.015 0.000 0.928 463 K CB -0.697 31.793 32.500 -0.017 0.000 0.716 463 K HN 0.422 nan 8.250 nan 0.000 0.446 464 E N 0.017 120.217 120.200 -0.001 0.000 1.997 464 E HA 0.085 4.435 4.350 0.000 0.000 0.196 464 E C 2.283 178.882 176.600 -0.001 0.000 0.990 464 E CA 1.512 57.912 56.400 0.000 0.000 0.845 464 E CB -1.558 28.145 29.700 0.005 0.000 0.795 464 E HN 0.703 nan 8.360 nan 0.000 0.479 465 A N 0.803 123.624 122.820 0.002 0.000 1.877 465 A HA -0.128 4.192 4.320 0.000 0.000 0.218 465 A C 2.728 180.313 177.584 0.000 0.000 1.301 465 A CA 4.149 56.188 52.037 0.002 0.000 0.699 465 A CB -1.477 17.526 19.000 0.005 0.000 0.844 465 A HN 1.165 nan 8.150 nan 0.000 0.464 466 R N -0.663 119.837 120.500 -0.000 0.000 2.377 466 R HA 0.263 4.603 4.340 0.000 0.000 0.207 466 R C 2.049 178.346 176.300 -0.006 0.000 1.075 466 R CA 1.583 57.682 56.100 -0.002 0.000 1.035 466 R CB -2.110 28.189 30.300 -0.002 0.000 0.857 466 R HN 2.433 nan 8.270 nan 0.000 0.475 467 G N -2.235 106.561 108.800 -0.006 0.000 2.338 467 G HA2 0.156 4.116 3.960 0.000 0.000 0.296 467 G HA3 0.156 4.116 3.960 0.000 0.000 0.296 467 G C 0.347 175.239 174.900 -0.014 0.000 1.040 467 G CA 0.633 45.727 45.100 -0.009 0.000 1.004 467 G HN 1.574 nan 8.290 nan 0.000 0.509 468 L N -1.655 119.557 121.223 -0.018 0.000 2.399 468 L HA 0.874 5.214 4.340 0.000 0.000 0.266 468 L C 1.492 178.344 176.870 -0.030 0.000 1.114 468 L CA 0.732 55.556 54.840 -0.027 0.000 0.804 468 L CB -0.480 41.558 42.059 -0.036 0.000 1.146 468 L HN 1.164 nan 8.230 nan 0.000 0.451 469 N N 1.693 120.373 118.700 -0.034 0.000 2.250 469 N HA 0.241 4.981 4.740 0.000 0.000 0.181 469 N C 0.809 176.293 175.510 -0.044 0.000 1.017 469 N CA 1.475 54.505 53.050 -0.034 0.000 0.866 469 N CB -0.203 38.266 38.487 -0.031 0.000 0.985 469 N HN 0.755 nan 8.380 nan 0.000 0.429 470 I N -0.908 119.627 120.570 -0.058 0.000 3.023 470 I HA 0.263 4.433 4.170 0.000 0.000 0.312 470 I C -0.844 175.217 176.117 -0.094 0.000 1.056 470 I CA -1.111 60.142 61.300 -0.078 0.000 1.033 470 I CB 2.023 39.968 38.000 -0.092 0.000 1.233 470 I HN 0.169 nan 8.210 nan 0.000 0.462 471 N N 2.285 120.915 118.700 -0.116 0.000 2.558 471 N HA 0.113 4.854 4.740 0.000 0.000 0.233 471 N C 0.712 176.108 175.510 -0.191 0.000 1.038 471 N CA 0.510 53.485 53.050 -0.125 0.000 0.934 471 N CB 1.341 39.758 38.487 -0.116 0.000 1.175 471 N HN 0.782 nan 8.380 nan 0.000 0.512 472 E N 3.654 123.725 120.200 -0.215 0.000 2.113 472 E HA -0.299 4.051 4.350 0.000 0.000 0.210 472 E C 1.264 177.535 176.600 -0.548 0.000 1.040 472 E CA 1.963 58.122 56.400 -0.401 0.000 0.847 472 E CB -0.772 28.755 29.700 -0.288 0.000 0.755 472 E HN 0.731 nan 8.360 nan 0.000 0.459 473 N N 0.329 118.910 118.700 -0.199 0.000 2.223 473 N HA -0.007 4.733 4.740 0.000 0.000 0.185 473 N C 2.160 177.676 175.510 0.010 0.000 1.016 473 N CA 1.549 54.621 53.050 0.036 0.000 0.863 473 N CB -0.419 38.110 38.487 0.069 0.000 0.983 473 N HN 0.576 nan 8.380 nan 0.000 0.429 474 A N 1.146 123.899 122.820 -0.111 0.000 1.902 474 A HA -0.174 4.147 4.320 0.000 0.000 0.217 474 A C 2.202 179.802 177.584 0.026 0.000 1.181 474 A CA 2.430 54.399 52.037 -0.114 0.000 0.623 474 A CB -1.252 17.524 19.000 -0.374 0.000 0.818 474 A HN 0.475 nan 8.150 nan 0.000 0.443 475 D N -1.399 118.937 120.400 -0.106 0.000 2.178 475 D HA -0.092 4.548 4.640 0.000 0.000 0.201 475 D C 1.646 177.974 176.300 0.047 0.000 0.980 475 D CA 1.449 55.406 54.000 -0.073 0.000 0.842 475 D CB -0.545 40.125 40.800 -0.218 0.000 0.948 475 D HN 0.364 nan 8.370 nan 0.000 0.472 476 F N 0.315 120.291 119.950 0.044 0.000 2.146 476 F HA 0.119 4.647 4.527 0.000 0.000 0.298 476 F C 2.478 178.308 175.800 0.051 0.000 1.096 476 F CA 0.135 58.156 58.000 0.034 0.000 1.275 476 F CB -0.485 38.523 39.000 0.013 0.000 1.008 476 F HN 0.162 nan 8.300 nan 0.000 0.480 477 I N 0.117 120.861 120.570 0.290 0.000 2.315 477 I HA -0.218 3.952 4.170 0.000 0.000 0.248 477 I C 2.676 178.886 176.117 0.156 0.000 1.117 477 I CA 1.426 62.849 61.300 0.206 0.000 1.404 477 I CB -0.958 37.193 38.000 0.252 0.000 1.071 477 I HN 0.238 nan 8.210 nan 0.000 0.419 478 E N 1.620 121.949 120.200 0.215 0.000 2.077 478 E HA -0.227 4.123 4.350 0.000 0.000 0.193 478 E C 2.082 178.734 176.600 0.086 0.000 0.989 478 E CA 1.210 57.694 56.400 0.140 0.000 0.800 478 E CB -0.453 29.363 29.700 0.194 0.000 0.746 478 E HN 0.345 nan 8.360 nan 0.000 0.452 479 K N 0.027 120.494 120.400 0.113 0.000 1.991 479 K HA 0.006 4.326 4.320 0.000 0.000 0.212 479 K C 2.473 179.108 176.600 0.059 0.000 1.049 479 K CA 1.358 57.699 56.287 0.089 0.000 0.932 479 K CB -0.907 31.671 32.500 0.130 0.000 0.717 479 K HN 0.421 nan 8.250 nan 0.000 0.441 480 A N 0.370 123.227 122.820 0.062 0.000 2.225 480 A HA 0.068 4.388 4.320 0.000 0.000 0.215 480 A C 1.449 179.041 177.584 0.014 0.000 1.164 480 A CA 1.529 53.583 52.037 0.030 0.000 0.710 480 A CB -0.702 18.313 19.000 0.025 0.000 0.780 480 A HN 0.507 nan 8.150 nan 0.000 0.473 481 G N -2.719 106.089 108.800 0.013 0.000 2.143 481 G HA2 -0.167 3.793 3.960 0.000 0.000 0.249 481 G HA3 -0.167 3.793 3.960 0.000 0.000 0.249 481 G C 1.209 176.094 174.900 -0.025 0.000 0.981 481 G CA 0.732 45.827 45.100 -0.008 0.000 0.665 481 G HN 1.269 nan 8.290 nan 0.000 0.528 482 G N 0.090 108.877 108.800 -0.021 0.000 2.402 482 G HA2 -0.050 3.910 3.960 0.000 0.000 0.216 482 G HA3 -0.050 3.910 3.960 0.000 0.000 0.216 482 G C 1.680 176.511 174.900 -0.115 0.000 1.162 482 G CA 1.707 46.781 45.100 -0.044 0.000 0.777 482 G HN 0.655 nan 8.290 nan 0.000 0.539 483 M N 0.659 120.142 119.600 -0.195 0.000 2.082 483 M HA -0.134 4.346 4.480 0.000 0.000 0.258 483 M C 2.535 178.718 176.300 -0.196 0.000 1.069 483 M CA 2.384 57.451 55.300 -0.388 0.000 1.102 483 M CB -0.231 32.106 32.600 -0.439 0.000 1.336 483 M HN 0.344 nan 8.290 nan 0.000 0.404 484 E N 0.567 120.702 120.200 -0.108 0.000 2.051 484 E HA -0.218 4.132 4.350 0.000 0.000 0.192 484 E C 1.814 178.433 176.600 0.031 0.000 0.991 484 E CA 2.023 58.403 56.400 -0.033 0.000 0.799 484 E CB -0.353 29.324 29.700 -0.039 0.000 0.748 484 E HN 0.709 nan 8.360 nan 0.000 0.449 485 K N -0.338 120.054 120.400 -0.013 0.000 2.057 485 K HA -0.010 4.310 4.320 0.000 0.000 0.207 485 K C 2.367 178.951 176.600 -0.027 0.000 1.049 485 K CA 1.652 57.931 56.287 -0.013 0.000 0.931 485 K CB -0.379 32.107 32.500 -0.023 0.000 0.714 485 K HN 0.346 nan 8.250 nan 0.000 0.440 486 I N 0.351 120.891 120.570 -0.051 0.000 2.226 486 I HA -0.276 3.894 4.170 0.000 0.000 0.245 486 I C 2.245 178.317 176.117 -0.075 0.000 1.100 486 I CA 1.118 62.377 61.300 -0.069 0.000 1.374 486 I CB -0.250 37.687 38.000 -0.106 0.000 1.057 486 I HN 0.063 nan 8.210 nan 0.000 0.413 487 F N 2.093 121.939 119.950 -0.174 0.000 2.161 487 F HA -0.234 4.293 4.527 0.000 0.000 0.300 487 F C 2.067 177.769 175.800 -0.163 0.000 1.089 487 F CA 1.869 59.763 58.000 -0.176 0.000 1.282 487 F CB -0.579 38.330 39.000 -0.152 0.000 1.010 487 F HN 0.111 nan 8.300 nan 0.000 0.485 488 N N -1.166 117.483 118.700 -0.086 0.000 2.396 488 N HA -0.150 4.591 4.740 0.000 0.000 0.180 488 N C 1.467 176.868 175.510 -0.182 0.000 1.028 488 N CA 0.940 53.915 53.050 -0.126 0.000 0.893 488 N CB -0.301 38.175 38.487 -0.018 0.000 0.967 488 N HN 0.254 nan 8.380 nan 0.000 0.440 489 C N 1.171 120.369 119.300 -0.170 0.000 2.511 489 C HA 0.011 4.471 4.460 0.000 0.000 0.277 489 C C 2.075 176.966 174.990 -0.166 0.000 1.451 489 C CA 0.238 59.181 59.018 -0.126 0.000 1.735 489 C CB -1.250 26.440 27.740 -0.083 0.000 1.704 489 C HN 0.474 nan 8.230 nan 0.000 0.571 490 Q N -0.060 119.517 119.800 -0.373 0.000 2.435 490 Q HA -0.049 4.291 4.340 0.000 0.000 0.207 490 Q C 1.675 177.514 176.000 -0.269 0.000 0.956 490 Q CA 0.724 56.219 55.803 -0.514 0.000 0.917 490 Q CB -0.012 28.021 28.738 -1.176 0.000 0.997 490 Q HN 0.742 nan 8.270 nan 0.000 0.497 491 Q N 0.219 119.899 119.800 -0.201 0.000 2.220 491 Q HA 0.107 4.447 4.340 0.000 0.000 0.205 491 Q C -0.078 175.898 176.000 -0.039 0.000 0.865 491 Q CA -0.256 55.474 55.803 -0.122 0.000 0.960 491 Q CB 0.384 29.054 28.738 -0.113 0.000 1.097 491 Q HN 0.224 nan 8.270 nan 0.000 0.493 492 N N 2.307 121.017 118.700 0.017 0.000 2.520 492 N HA -0.059 4.681 4.740 0.000 0.000 0.273 492 N C 1.062 176.664 175.510 0.154 0.000 1.155 492 N CA 0.297 53.387 53.050 0.066 0.000 0.967 492 N CB 1.118 39.643 38.487 0.063 0.000 1.092 492 N HN 0.154 nan 8.380 nan 0.000 0.457 493 E N 2.378 122.643 120.200 0.108 0.000 2.268 493 E HA -0.192 4.158 4.350 0.000 0.000 0.195 493 E C 0.120 176.830 176.600 0.183 0.000 0.995 493 E CA 0.642 57.123 56.400 0.135 0.000 0.836 493 E CB -0.424 29.319 29.700 0.072 0.000 0.763 493 E HN 0.501 nan 8.360 nan 0.000 0.491 494 N N 1.834 120.611 118.700 0.130 0.000 2.442 494 N HA -0.028 4.712 4.740 0.000 0.000 0.265 494 N C -0.392 175.076 175.510 -0.070 0.000 1.138 494 N CA 0.075 53.154 53.050 0.048 0.000 0.956 494 N CB 1.042 39.538 38.487 0.016 0.000 1.067 494 N HN -0.153 nan 8.380 nan 0.000 0.474 495 D N 3.868 124.144 120.400 -0.206 0.000 2.106 495 D HA -0.207 4.433 4.640 0.000 0.000 0.191 495 D C 2.004 177.966 176.300 -0.563 0.000 0.997 495 D CA 2.678 56.288 54.000 -0.650 0.000 0.834 495 D CB -0.090 40.517 40.800 -0.322 0.000 0.956 495 D HN 0.754 nan 8.370 nan 0.000 0.448 496 K N 0.699 120.946 120.400 -0.255 0.000 2.113 496 K HA -0.161 4.159 4.320 0.000 0.000 0.208 496 K C 2.054 178.570 176.600 -0.138 0.000 1.047 496 K CA 1.590 57.782 56.287 -0.159 0.000 0.928 496 K CB -1.178 31.274 32.500 -0.079 0.000 0.716 496 K HN 0.271 nan 8.250 nan 0.000 0.446 497 I N -0.409 120.088 120.570 -0.122 0.000 2.206 497 I HA -0.138 4.032 4.170 0.000 0.000 0.239 497 I C 2.821 178.934 176.117 -0.006 0.000 1.078 497 I CA 1.465 62.735 61.300 -0.050 0.000 1.367 497 I CB -0.415 37.580 38.000 -0.009 0.000 1.078 497 I HN 0.592 nan 8.210 nan 0.000 0.413 498 Y N 1.727 122.041 120.300 0.023 0.000 2.224 498 Y HA -0.190 4.360 4.550 0.000 0.000 0.289 498 Y C 2.345 178.361 175.900 0.193 0.000 1.146 498 Y CA 1.218 59.346 58.100 0.047 0.000 1.182 498 Y CB -1.669 36.852 38.460 0.101 0.000 0.983 498 Y HN -0.035 nan 8.280 nan 0.000 0.524 499 E N 0.582 120.789 120.200 0.012 0.000 2.072 499 E HA -0.176 4.174 4.350 0.000 0.000 0.191 499 E C 2.095 178.780 176.600 0.142 0.000 0.985 499 E CA 1.427 57.902 56.400 0.125 0.000 0.801 499 E CB -0.407 29.225 29.700 -0.114 0.000 0.750 499 E HN 0.584 nan 8.360 nan 0.000 0.452 500 K N 0.994 121.425 120.400 0.051 0.000 2.057 500 K HA -0.051 4.270 4.320 0.000 0.000 0.207 500 K C 2.072 178.725 176.600 0.089 0.000 1.049 500 K CA 1.527 57.849 56.287 0.059 0.000 0.931 500 K CB -0.692 31.818 32.500 0.018 0.000 0.714 500 K HN 0.211 nan 8.250 nan 0.000 0.440 501 A N -0.338 122.519 122.820 0.062 0.000 1.877 501 A HA -0.152 4.168 4.320 0.000 0.000 0.216 501 A C 2.129 179.724 177.584 0.019 0.000 1.186 501 A CA 1.680 53.713 52.037 -0.007 0.000 0.620 501 A CB -1.068 17.851 19.000 -0.135 0.000 0.822 501 A HN 0.442 nan 8.150 nan 0.000 0.443 502 Y N 0.260 120.598 120.300 0.064 0.000 2.165 502 Y HA -0.181 4.369 4.550 0.000 0.000 0.286 502 Y C 3.000 178.953 175.900 0.087 0.000 1.155 502 Y CA 2.237 60.377 58.100 0.068 0.000 1.164 502 Y CB -0.510 37.992 38.460 0.070 0.000 0.978 502 Y HN 0.400 nan 8.280 nan 0.000 0.513 503 K N 0.771 121.317 120.400 0.244 0.000 2.057 503 K HA -0.122 4.198 4.320 0.000 0.000 0.207 503 K C 1.862 178.568 176.600 0.177 0.000 1.049 503 K CA 1.906 58.291 56.287 0.164 0.000 0.931 503 K CB -1.352 31.224 32.500 0.126 0.000 0.714 503 K HN 0.456 nan 8.250 nan 0.000 0.440 504 I N 0.409 121.113 120.570 0.224 0.000 2.142 504 I HA -0.236 3.934 4.170 0.000 0.000 0.240 504 I C 2.416 178.782 176.117 0.416 0.000 1.078 504 I CA 1.028 62.542 61.300 0.357 0.000 1.343 504 I CB -0.245 37.931 38.000 0.293 0.000 1.046 504 I HN 0.213 nan 8.210 nan 0.000 0.405 505 I N 0.755 121.506 120.570 0.302 0.000 2.163 505 I HA -0.318 3.852 4.170 0.000 0.000 0.243 505 I C 2.544 178.849 176.117 0.314 0.000 1.085 505 I CA 1.695 63.200 61.300 0.341 0.000 1.347 505 I CB -1.225 36.918 38.000 0.240 0.000 1.044 505 I HN 0.412 nan 8.210 nan 0.000 0.408 506 E N 0.684 121.012 120.200 0.214 0.000 2.017 506 E HA -0.218 4.132 4.350 0.000 0.000 0.193 506 E C 2.077 178.695 176.600 0.029 0.000 0.997 506 E CA 2.332 58.809 56.400 0.129 0.000 0.804 506 E CB 0.044 29.808 29.700 0.106 0.000 0.757 506 E HN 0.372 nan 8.360 nan 0.000 0.448 507 T N -0.500 114.013 114.554 -0.070 0.000 2.759 507 T HA -0.168 4.182 4.350 0.000 0.000 0.269 507 T C 0.838 175.178 174.700 -0.600 0.000 1.042 507 T CA 1.596 63.457 62.100 -0.398 0.000 1.140 507 T CB -0.212 68.273 68.868 -0.638 0.000 0.864 507 T HN 0.322 nan 8.240 nan 0.000 0.455 508 Y N -1.704 118.625 120.300 0.049 0.000 2.471 508 Y HA 0.425 4.975 4.550 0.000 0.000 0.249 508 Y C 0.113 175.706 175.900 -0.512 0.000 1.116 508 Y CA -0.985 56.990 58.100 -0.209 0.000 1.240 508 Y CB 0.636 38.927 38.460 -0.283 0.000 1.251 508 Y HN 0.088 nan 8.280 nan 0.000 0.527 509 F N 0.173 120.203 119.950 0.135 0.000 2.566 509 F HA 0.640 5.167 4.527 0.000 0.000 0.347 509 F C 0.664 176.498 175.800 0.057 0.000 1.515 509 F CA -1.043 57.012 58.000 0.092 0.000 1.103 509 F CB 0.587 39.644 39.000 0.096 0.000 1.385 509 F HN -0.074 nan 8.300 nan 0.000 0.560 510 G N 0.000 108.876 108.800 0.126 0.000 5.446 510 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 510 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 510 G CA 0.000 45.154 45.100 0.089 0.000 0.502 510 G HN 0.000 nan 8.290 nan 0.000 0.925