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 1tlf_1_B DATA FIRST_RESID 61 DATA SEQUENCE SLLIGVATSS LALHAPSQIV AAIKSRADQL GASVVVSMVE RSGVEACKAA DATA SEQUENCE VHNLLAQRVS GLIINYPLDD QDAIAVEAAC TNVPALFLDV SDQTPINSII DATA SEQUENCE FSHEDGTRLG VEHLVALGHQ QIALLAGPLS SVSARLRLAG WHKYLTRNQI DATA SEQUENCE QPIAEREGDW SAMSGFQQTM QMLNEGIVPT AMLVANDQMA LGAMRAITES DATA SEQUENCE GLRVGADISV VGYDDTEDSS CYIPPLTTIK QDFRLLGQTS VDRLLQLSQG DATA SEQUENCE QAVKGNQLLP VSLVKRKTTL APNTQTASPR ALADSLMQLA RQVSRL 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 61 S HA 0.000 nan 4.470 nan 0.000 0.327 61 S C 0.000 174.594 174.600 -0.010 0.000 1.055 61 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 61 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 62 L N 3.923 125.140 121.223 -0.010 0.000 2.906 62 L HA -0.161 nan 4.340 nan 0.000 0.292 62 L C -0.962 175.898 176.870 -0.015 0.000 1.130 62 L CA 0.324 55.156 54.840 -0.013 0.000 0.940 62 L CB 0.453 42.506 42.059 -0.012 0.000 1.336 62 L HN 0.119 8.344 8.230 -0.009 0.000 0.469 63 L N 6.801 128.014 121.223 -0.018 0.000 2.369 63 L HA 0.192 nan 4.340 nan 0.000 0.279 63 L C -1.293 175.561 176.870 -0.026 0.000 1.108 63 L CA -0.227 54.599 54.840 -0.022 0.000 0.852 63 L CB -0.035 42.010 42.059 -0.024 0.000 1.169 63 L HN -0.040 8.179 8.230 -0.018 0.000 0.452 64 I N 5.769 126.323 120.570 -0.026 0.000 2.412 64 I HA 0.456 nan 4.170 nan 0.000 0.296 64 I C -1.558 174.537 176.117 -0.038 0.000 0.987 64 I CA -1.364 59.917 61.300 -0.031 0.000 1.180 64 I CB 2.596 40.580 38.000 -0.027 0.000 1.340 64 I HN 1.021 9.091 8.210 -0.024 0.126 0.455 65 G N 4.830 113.602 108.800 -0.048 0.000 2.416 65 G HA2 0.585 nan 3.960 nan 0.000 0.324 65 G HA3 0.585 nan 3.960 nan 0.000 0.324 65 G C -2.543 172.320 174.900 -0.062 0.000 1.194 65 G CA -1.534 43.534 45.100 -0.054 0.000 0.922 65 G HN 0.573 8.832 8.290 -0.052 0.000 0.467 66 V N 3.499 123.381 119.914 -0.053 0.000 2.409 66 V HA 0.674 nan 4.120 nan 0.000 0.291 66 V C -1.769 174.294 176.094 -0.052 0.000 1.020 66 V CA -2.043 60.225 62.300 -0.053 0.000 0.848 66 V CB 1.877 33.678 31.823 -0.035 0.000 0.990 66 V HN 0.956 9.118 8.190 -0.046 0.000 0.430 67 A N 8.299 131.080 122.820 -0.065 0.000 2.249 67 A HA 0.736 nan 4.320 nan 0.000 0.314 67 A C -2.330 175.238 177.584 -0.027 0.000 1.290 67 A CA -1.723 50.273 52.037 -0.067 0.000 0.893 67 A CB 1.471 20.409 19.000 -0.104 0.000 1.165 67 A HN 0.299 8.401 8.150 -0.080 0.000 0.530 68 T N 3.939 118.492 114.554 -0.001 0.000 2.907 68 T HA 0.698 nan 4.350 nan 0.000 0.292 68 T C -1.200 173.580 174.700 0.134 0.000 1.043 68 T CA -2.337 59.797 62.100 0.056 0.000 1.003 68 T CB 2.194 71.072 68.868 0.017 0.000 1.084 68 T HN 0.542 8.772 8.240 -0.017 0.000 0.483 69 S N 5.006 120.824 115.700 0.197 0.000 2.626 69 S HA 0.158 nan 4.470 nan 0.000 0.257 69 S C -0.151 174.508 174.600 0.098 0.000 1.288 69 S CA -0.467 57.875 58.200 0.236 0.000 0.980 69 S CB 0.695 63.959 63.200 0.107 0.000 0.975 69 S HN 0.312 8.709 8.310 0.145 0.000 0.577 70 S N 0.492 116.245 115.700 0.089 0.000 2.931 70 S HA -0.209 nan 4.470 nan 0.000 0.342 70 S C 0.735 175.341 174.600 0.011 0.000 1.220 70 S CA 0.360 58.590 58.200 0.050 0.000 1.045 70 S CB 0.195 63.426 63.200 0.052 0.000 0.758 70 S HN 0.091 8.473 8.310 0.120 0.000 0.508 71 L N 7.721 128.953 121.223 0.015 0.000 2.376 71 L HA -0.182 nan 4.340 nan 0.000 0.219 71 L C 0.993 177.874 176.870 0.018 0.000 1.133 71 L CA 1.726 56.569 54.840 0.005 0.000 0.816 71 L CB -0.269 41.795 42.059 0.008 0.000 0.933 71 L HN 0.506 8.751 8.230 0.025 0.000 0.449 72 A N -1.149 121.685 122.820 0.023 0.000 1.978 72 A HA -0.253 nan 4.320 nan 0.000 0.220 72 A C 0.086 177.683 177.584 0.021 0.000 1.170 72 A CA 2.192 54.251 52.037 0.036 0.000 0.636 72 A CB -0.407 18.612 19.000 0.032 0.000 0.810 72 A HN -0.485 7.639 8.150 0.024 0.040 0.448 73 L N -3.519 117.683 121.223 -0.036 0.000 2.452 73 L HA -0.217 nan 4.340 nan 0.000 0.267 73 L C 1.194 178.032 176.870 -0.053 0.000 1.188 73 L CA 0.256 55.012 54.840 -0.140 0.000 0.821 73 L CB 0.199 42.157 42.059 -0.168 0.000 1.102 73 L HN -0.879 7.318 8.230 -0.025 0.018 0.470 74 H N 1.822 120.839 119.070 -0.088 0.000 2.372 74 H HA -0.215 nan 4.556 nan 0.000 0.301 74 H C 1.947 177.132 175.328 -0.239 0.000 1.065 74 H CA 2.471 58.452 56.048 -0.111 0.000 1.364 74 H CB -0.573 29.160 29.762 -0.049 0.000 1.406 74 H HN 0.813 9.217 8.280 -0.428 -0.381 0.521 75 A N -0.017 122.659 122.820 -0.240 0.000 1.851 75 A HA -0.170 nan 4.320 nan 0.000 0.216 75 A C -0.801 176.433 177.584 -0.582 0.000 1.195 75 A CA 4.632 56.261 52.037 -0.680 0.000 0.622 75 A CB -2.558 16.043 19.000 -0.666 0.000 0.831 75 A HN 0.631 8.661 8.150 -0.201 0.000 0.444 76 P HA -0.285 nan 4.420 nan 0.000 0.216 76 P C 2.033 179.239 177.300 -0.156 0.000 1.154 76 P CA 3.502 66.475 63.100 -0.212 0.000 0.865 76 P CB -0.408 31.210 31.700 -0.137 0.000 0.789 77 S N -1.963 113.661 115.700 -0.126 0.000 2.368 77 S HA -0.295 nan 4.470 nan 0.000 0.224 77 S C 2.275 176.820 174.600 -0.092 0.000 1.029 77 S CA 4.213 62.368 58.200 -0.074 0.000 0.988 77 S CB -0.210 62.974 63.200 -0.026 0.000 0.838 77 S HN -0.579 7.651 8.310 -0.121 0.008 0.462 78 Q N 1.917 121.623 119.800 -0.157 0.000 2.079 78 Q HA -0.300 nan 4.340 nan 0.000 0.200 78 Q C 2.601 178.545 176.000 -0.093 0.000 0.974 78 Q CA 3.312 59.040 55.803 -0.124 0.000 0.840 78 Q CB 0.158 28.805 28.738 -0.153 0.000 0.898 78 Q HN -0.203 7.858 8.270 -0.212 0.081 0.430 79 I N -0.045 120.413 120.570 -0.186 0.000 2.315 79 I HA -0.437 nan 4.170 nan 0.000 0.248 79 I C 1.867 177.974 176.117 -0.017 0.000 1.117 79 I CA 4.377 65.644 61.300 -0.054 0.000 1.404 79 I CB -0.140 37.814 38.000 -0.076 0.000 1.071 79 I HN 0.465 8.476 8.210 -0.331 0.000 0.419 80 V N -0.380 119.508 119.914 -0.042 0.000 2.548 80 V HA -0.378 nan 4.120 nan 0.000 0.249 80 V C 1.730 177.817 176.094 -0.012 0.000 1.055 80 V CA 4.204 66.490 62.300 -0.023 0.000 1.065 80 V CB -1.251 30.554 31.823 -0.029 0.000 0.681 80 V HN 0.005 8.150 8.190 -0.075 0.000 0.462 81 A N -1.251 121.561 122.820 -0.013 0.000 1.970 81 A HA -0.205 nan 4.320 nan 0.000 0.216 81 A C 1.680 179.270 177.584 0.011 0.000 1.170 81 A CA 3.027 55.063 52.037 -0.003 0.000 0.645 81 A CB -0.754 18.243 19.000 -0.006 0.000 0.816 81 A HN -0.086 7.967 8.150 -0.026 0.082 0.447 82 A N -0.443 122.392 122.820 0.026 0.000 1.858 82 A HA -0.296 nan 4.320 nan 0.000 0.216 82 A C 1.831 179.433 177.584 0.031 0.000 1.190 82 A CA 2.944 55.008 52.037 0.045 0.000 0.617 82 A CB -0.753 18.300 19.000 0.087 0.000 0.827 82 A HN -0.104 8.059 8.150 0.022 0.000 0.443 83 I N -1.669 118.916 120.570 0.025 0.000 2.145 83 I HA -0.645 nan 4.170 nan 0.000 0.244 83 I C 1.813 177.933 176.117 0.006 0.000 1.075 83 I CA 4.138 65.446 61.300 0.013 0.000 1.332 83 I CB -0.400 37.602 38.000 0.004 0.000 1.033 83 I HN -0.071 8.155 8.210 0.026 0.000 0.410 84 K N -1.282 119.120 120.400 0.003 0.000 2.152 84 K HA -0.350 nan 4.320 nan 0.000 0.206 84 K C 2.510 179.112 176.600 0.003 0.000 1.048 84 K CA 3.208 59.495 56.287 -0.000 0.000 0.933 84 K CB -0.601 31.897 32.500 -0.003 0.000 0.721 84 K HN -0.307 7.883 8.250 0.003 0.062 0.447 85 S N 0.180 115.884 115.700 0.008 0.000 2.348 85 S HA -0.290 nan 4.470 nan 0.000 0.221 85 S C 2.245 176.849 174.600 0.007 0.000 1.033 85 S CA 3.689 61.894 58.200 0.009 0.000 1.010 85 S CB -0.329 62.880 63.200 0.014 0.000 0.891 85 S HN -0.266 7.925 8.310 0.011 0.126 0.442 86 R N 0.575 121.080 120.500 0.009 0.000 2.082 86 R HA -0.306 nan 4.340 nan 0.000 0.234 86 R C 2.146 178.447 176.300 0.002 0.000 1.136 86 R CA 2.363 58.466 56.100 0.006 0.000 0.935 86 R CB -0.473 29.831 30.300 0.007 0.000 0.842 86 R HN -0.709 7.569 8.270 0.012 0.000 0.430 87 A N -0.966 121.853 122.820 -0.000 0.000 1.915 87 A HA -0.367 nan 4.320 nan 0.000 0.220 87 A C 2.283 179.865 177.584 -0.003 0.000 1.198 87 A CA 3.287 55.322 52.037 -0.003 0.000 0.647 87 A CB -0.927 18.070 19.000 -0.006 0.000 0.825 87 A HN -0.089 8.062 8.150 0.001 0.000 0.456 88 D N -3.510 116.889 120.400 -0.002 0.000 2.263 88 D HA -0.177 nan 4.640 nan 0.000 0.208 88 D C 2.454 178.753 176.300 -0.001 0.000 0.971 88 D CA 2.612 56.611 54.000 -0.002 0.000 0.867 88 D CB -0.404 40.395 40.800 -0.001 0.000 0.929 88 D HN -0.277 8.094 8.370 -0.001 -0.002 0.492 89 Q N -1.965 117.835 119.800 -0.000 0.000 2.339 89 Q HA -0.068 nan 4.340 nan 0.000 0.205 89 Q C 1.400 177.400 176.000 -0.001 0.000 0.925 89 Q CA 1.583 57.386 55.803 -0.000 0.000 0.898 89 Q CB 1.149 29.887 28.738 0.001 0.000 1.013 89 Q HN -0.067 8.045 8.270 0.000 0.159 0.504 90 L N -2.586 118.636 121.223 -0.002 0.000 2.848 90 L HA 0.254 nan 4.340 nan 0.000 0.240 90 L C -0.170 176.698 176.870 -0.004 0.000 1.232 90 L CA -0.732 54.107 54.840 -0.002 0.000 1.031 90 L CB -0.905 41.152 42.059 -0.003 0.000 1.338 90 L HN -0.215 8.014 8.230 -0.001 0.000 0.509 91 G N -1.764 107.034 108.800 -0.004 0.000 2.280 91 G HA2 -0.355 nan 3.960 nan 0.000 0.282 91 G HA3 -0.355 nan 3.960 nan 0.000 0.282 91 G C -0.294 174.603 174.900 -0.006 0.000 1.000 91 G CA 0.457 45.555 45.100 -0.004 0.000 0.751 91 G HN -0.209 7.978 8.290 -0.003 0.100 0.515 92 A N 0.622 123.439 122.820 -0.006 0.000 2.260 92 A HA 0.452 nan 4.320 nan 0.000 0.278 92 A C -1.324 176.254 177.584 -0.009 0.000 1.269 92 A CA -0.042 51.990 52.037 -0.008 0.000 0.824 92 A CB 1.448 20.443 19.000 -0.009 0.000 1.238 92 A HN -0.059 7.957 8.150 -0.005 0.131 0.507 93 S N -2.209 113.484 115.700 -0.012 0.000 2.541 93 S HA 0.340 nan 4.470 nan 0.000 0.271 93 S C -1.687 172.903 174.600 -0.016 0.000 1.133 93 S CA -0.976 57.216 58.200 -0.013 0.000 0.876 93 S CB 3.190 66.381 63.200 -0.014 0.000 1.105 93 S HN 0.190 8.492 8.310 -0.013 0.000 0.470 94 V N 2.289 122.193 119.914 -0.016 0.000 2.735 94 V HA 0.656 nan 4.120 nan 0.000 0.310 94 V C -1.508 174.574 176.094 -0.021 0.000 1.061 94 V CA -0.711 61.577 62.300 -0.019 0.000 0.913 94 V CB 3.106 34.919 31.823 -0.017 0.000 1.005 94 V HN 0.181 8.362 8.190 -0.014 0.000 0.428 95 V N 5.816 125.714 119.914 -0.026 0.000 2.525 95 V HA 0.433 nan 4.120 nan 0.000 0.299 95 V C -1.491 174.585 176.094 -0.031 0.000 1.034 95 V CA -0.875 61.408 62.300 -0.028 0.000 0.863 95 V CB 4.137 35.941 31.823 -0.032 0.000 0.999 95 V HN 0.651 8.823 8.190 -0.029 0.000 0.423 96 V N 7.435 127.333 119.914 -0.026 0.000 2.612 96 V HA 0.699 nan 4.120 nan 0.000 0.301 96 V C -1.111 174.967 176.094 -0.027 0.000 1.046 96 V CA -2.084 60.200 62.300 -0.026 0.000 0.946 96 V CB 2.228 34.039 31.823 -0.019 0.000 1.003 96 V HN 0.226 8.402 8.190 -0.022 0.000 0.459 97 S N 3.722 119.403 115.700 -0.032 0.000 2.672 97 S HA 0.409 nan 4.470 nan 0.000 0.291 97 S C -1.628 172.953 174.600 -0.032 0.000 1.145 97 S CA -0.935 57.245 58.200 -0.033 0.000 1.013 97 S CB 1.610 64.782 63.200 -0.045 0.000 1.017 97 S HN 0.712 9.001 8.310 -0.034 0.000 0.487 98 M N 6.636 126.223 119.600 -0.022 0.000 2.249 98 M HA 0.494 nan 4.480 nan 0.000 0.351 98 M C -0.523 175.757 176.300 -0.032 0.000 1.180 98 M CA -0.586 54.706 55.300 -0.012 0.000 1.127 98 M CB 0.885 33.487 32.600 0.005 0.000 1.546 98 M HN -0.031 8.249 8.290 -0.018 0.000 0.461 99 V N 1.867 121.758 119.914 -0.039 0.000 2.617 99 V HA 0.039 nan 4.120 nan 0.000 0.298 99 V C -0.458 175.641 176.094 0.009 0.000 1.048 99 V CA -1.384 60.849 62.300 -0.111 0.000 0.964 99 V CB 0.560 32.135 31.823 -0.412 0.000 1.004 99 V HN 0.275 8.470 8.190 0.008 0.000 0.466 100 E N 3.321 123.522 120.200 0.002 0.000 2.403 100 E HA 0.007 nan 4.350 nan 0.000 0.187 100 E C -0.166 176.496 176.600 0.104 0.000 1.073 100 E CA -0.738 55.692 56.400 0.049 0.000 0.888 100 E CB 0.043 29.758 29.700 0.025 0.000 1.035 100 E HN 0.377 8.709 8.360 -0.047 0.000 0.471 101 R N -2.995 117.628 120.500 0.205 0.000 3.205 101 R HA -0.286 nan 4.340 nan 0.000 0.249 101 R C -0.626 175.795 176.300 0.202 0.000 0.937 101 R CA 1.057 57.328 56.100 0.286 0.000 0.641 101 R CB -2.196 28.217 30.300 0.189 0.000 1.114 101 R HN 0.228 8.530 8.270 0.228 0.105 0.451 102 S N -2.319 113.505 115.700 0.207 0.000 2.740 102 S HA 0.221 nan 4.470 nan 0.000 0.244 102 S C 0.092 174.780 174.600 0.146 0.000 1.101 102 S CA -0.523 57.754 58.200 0.129 0.000 1.123 102 S CB 1.152 64.394 63.200 0.069 0.000 1.012 102 S HN -0.282 8.167 8.310 0.231 0.000 0.491 103 G N 0.897 109.851 108.800 0.256 0.000 2.575 103 G HA2 -0.462 nan 3.960 nan 0.000 0.267 103 G HA3 -0.462 nan 3.960 nan 0.000 0.267 103 G C 0.109 175.135 174.900 0.211 0.000 1.264 103 G CA 0.518 45.769 45.100 0.253 0.000 0.935 103 G HN -0.519 7.975 8.290 0.341 0.000 0.568 104 V N 1.447 121.446 119.914 0.142 0.000 2.250 104 V HA -0.459 nan 4.120 nan 0.000 0.250 104 V C 2.177 178.292 176.094 0.036 0.000 1.060 104 V CA 3.494 65.849 62.300 0.092 0.000 1.030 104 V CB -0.623 31.241 31.823 0.069 0.000 0.643 104 V HN 0.507 8.774 8.190 0.129 0.000 0.445 105 E N -0.283 119.933 120.200 0.026 0.000 2.038 105 E HA -0.391 nan 4.350 nan 0.000 0.195 105 E C 1.904 178.488 176.600 -0.027 0.000 1.000 105 E CA 2.877 59.278 56.400 0.001 0.000 0.803 105 E CB -1.033 28.669 29.700 0.003 0.000 0.750 105 E HN 0.102 8.486 8.360 0.040 0.000 0.448 106 A N -0.785 122.018 122.820 -0.029 0.000 1.940 106 A HA -0.261 nan 4.320 nan 0.000 0.219 106 A C 2.457 179.937 177.584 -0.173 0.000 1.176 106 A CA 3.085 55.079 52.037 -0.072 0.000 0.631 106 A CB -0.822 18.154 19.000 -0.040 0.000 0.814 106 A HN -0.476 7.678 8.150 0.006 0.000 0.446 107 C N -2.020 117.138 119.300 -0.238 0.000 2.446 107 C HA -0.314 nan 4.460 nan 0.000 0.277 107 C C 1.931 176.837 174.990 -0.140 0.000 1.275 107 C CA 3.364 62.180 59.018 -0.336 0.000 1.727 107 C CB -1.711 25.874 27.740 -0.259 0.000 2.010 107 C HN -0.001 8.055 8.230 -0.147 0.085 0.486 108 K N -0.278 120.087 120.400 -0.058 0.000 2.002 108 K HA -0.410 nan 4.320 nan 0.000 0.209 108 K C 2.135 178.741 176.600 0.009 0.000 1.048 108 K CA 3.506 59.788 56.287 -0.009 0.000 0.930 108 K CB -0.263 32.240 32.500 0.006 0.000 0.714 108 K HN 0.091 8.106 8.250 -0.049 0.205 0.438 109 A N -1.697 121.120 122.820 -0.004 0.000 1.958 109 A HA -0.333 nan 4.320 nan 0.000 0.221 109 A C 1.980 179.608 177.584 0.073 0.000 1.178 109 A CA 3.037 55.098 52.037 0.040 0.000 0.642 109 A CB -1.062 17.937 19.000 -0.002 0.000 0.816 109 A HN -0.155 7.977 8.150 -0.029 0.000 0.453 110 A N -2.502 120.310 122.820 -0.014 0.000 1.858 110 A HA -0.329 nan 4.320 nan 0.000 0.216 110 A C 1.979 179.544 177.584 -0.031 0.000 1.190 110 A CA 3.171 55.183 52.037 -0.041 0.000 0.617 110 A CB -0.700 18.236 19.000 -0.107 0.000 0.827 110 A HN -0.571 7.529 8.150 -0.055 0.016 0.443 111 V N -0.220 119.676 119.914 -0.030 0.000 2.252 111 V HA -0.562 nan 4.120 nan 0.000 0.249 111 V C 1.611 177.702 176.094 -0.005 0.000 1.056 111 V CA 5.021 67.304 62.300 -0.028 0.000 1.022 111 V CB -1.479 30.335 31.823 -0.014 0.000 0.641 111 V HN -0.459 7.640 8.190 -0.040 0.067 0.445 112 H N -0.392 118.656 119.070 -0.038 0.000 2.390 112 H HA -0.512 nan 4.556 nan 0.000 0.298 112 H C 2.192 177.503 175.328 -0.028 0.000 1.106 112 H CA 4.473 60.505 56.048 -0.028 0.000 1.297 112 H CB -0.210 29.538 29.762 -0.023 0.000 1.375 112 H HN 0.594 8.846 8.280 0.137 0.110 0.509 113 N N -0.719 117.888 118.700 -0.155 0.000 2.244 113 N HA -0.217 nan 4.740 nan 0.000 0.183 113 N C 1.898 177.307 175.510 -0.167 0.000 1.016 113 N CA 2.660 55.599 53.050 -0.185 0.000 0.866 113 N CB 0.037 38.500 38.487 -0.041 0.000 0.980 113 N HN -0.023 8.140 8.380 0.017 0.228 0.430 114 L N -1.019 120.132 121.223 -0.121 0.000 2.044 114 L HA -0.269 nan 4.340 nan 0.000 0.205 114 L C 2.266 179.073 176.870 -0.105 0.000 1.075 114 L CA 3.122 57.903 54.840 -0.098 0.000 0.747 114 L CB 0.122 42.133 42.059 -0.080 0.000 0.903 114 L HN 0.002 8.054 8.230 -0.098 0.119 0.435 115 L N -0.570 120.584 121.223 -0.116 0.000 2.012 115 L HA -0.407 nan 4.340 nan 0.000 0.210 115 L C 1.802 178.601 176.870 -0.118 0.000 1.073 115 L CA 3.107 57.889 54.840 -0.097 0.000 0.748 115 L CB -0.631 41.383 42.059 -0.076 0.000 0.891 115 L HN 0.452 8.611 8.230 -0.118 0.000 0.431 116 A N -3.245 119.456 122.820 -0.198 0.000 2.259 116 A HA -0.193 nan 4.320 nan 0.000 0.212 116 A C 0.941 178.452 177.584 -0.122 0.000 1.178 116 A CA 2.156 54.081 52.037 -0.187 0.000 0.734 116 A CB -0.860 17.951 19.000 -0.316 0.000 0.774 116 A HN -0.344 7.637 8.150 -0.282 0.000 0.481 117 Q N -1.898 117.839 119.800 -0.106 0.000 2.220 117 Q HA 0.034 nan 4.340 nan 0.000 0.205 117 Q C -0.468 175.498 176.000 -0.055 0.000 0.865 117 Q CA -1.275 54.484 55.803 -0.074 0.000 0.960 117 Q CB 0.415 29.111 28.738 -0.070 0.000 1.097 117 Q HN -0.468 7.557 8.270 -0.117 0.175 0.493 118 R N -2.634 117.833 120.500 -0.054 0.000 3.776 118 R HA -0.398 nan 4.340 nan 0.000 0.312 118 R C -1.266 175.012 176.300 -0.038 0.000 1.181 118 R CA 0.617 56.693 56.100 -0.040 0.000 0.836 118 R CB -1.723 28.557 30.300 -0.032 0.000 1.324 118 R HN -0.183 7.883 8.270 -0.064 0.165 0.501 119 V N -0.696 119.190 119.914 -0.045 0.000 2.493 119 V HA -0.094 nan 4.120 nan 0.000 0.292 119 V C 0.924 176.997 176.094 -0.035 0.000 1.016 119 V CA 1.402 63.676 62.300 -0.043 0.000 1.097 119 V CB 0.164 31.955 31.823 -0.053 0.000 0.947 119 V HN -0.533 7.604 8.190 -0.054 0.020 0.479 120 S N 7.807 123.489 115.700 -0.030 0.000 2.603 120 S HA 0.097 nan 4.470 nan 0.000 0.220 120 S C -0.572 174.014 174.600 -0.024 0.000 0.967 120 S CA 0.481 58.667 58.200 -0.024 0.000 0.920 120 S CB 0.493 63.682 63.200 -0.019 0.000 0.773 120 S HN 0.618 8.811 8.310 -0.030 0.099 0.529 121 G N -0.942 107.839 108.800 -0.033 0.000 2.616 121 G HA2 0.269 nan 3.960 nan 0.000 0.294 121 G HA3 0.269 nan 3.960 nan 0.000 0.294 121 G C -3.364 171.503 174.900 -0.056 0.000 1.489 121 G CA 0.682 45.760 45.100 -0.037 0.000 0.836 121 G HN -0.906 7.299 8.290 -0.037 0.063 0.527 122 L N 0.824 122.002 121.223 -0.076 0.000 2.386 122 L HA 0.927 nan 4.340 nan 0.000 0.271 122 L C -1.569 175.206 176.870 -0.157 0.000 0.993 122 L CA -1.042 53.728 54.840 -0.118 0.000 0.819 122 L CB 4.269 46.241 42.059 -0.145 0.000 1.294 122 L HN 0.321 8.510 8.230 -0.068 0.000 0.414 123 I N 2.713 123.190 120.570 -0.156 0.000 2.439 123 I HA 0.375 nan 4.170 nan 0.000 0.285 123 I C -1.508 174.496 176.117 -0.188 0.000 1.021 123 I CA -0.746 60.460 61.300 -0.156 0.000 1.091 123 I CB 2.832 40.786 38.000 -0.076 0.000 1.242 123 I HN 0.764 8.896 8.210 -0.130 0.000 0.439 124 I N 7.882 128.273 120.570 -0.298 0.000 2.310 124 I HA 0.107 nan 4.170 nan 0.000 0.287 124 I C -1.611 174.496 176.117 -0.016 0.000 1.073 124 I CA -1.384 59.785 61.300 -0.219 0.000 1.216 124 I CB -0.495 37.247 38.000 -0.431 0.000 1.415 124 I HN 0.956 8.809 8.210 -0.410 0.112 0.480 125 N N 8.451 127.171 118.700 0.033 0.000 3.034 125 N HA 0.114 nan 4.740 nan 0.000 0.265 125 N C -2.513 173.103 175.510 0.177 0.000 1.166 125 N CA -0.891 52.209 53.050 0.083 0.000 1.081 125 N CB 0.532 39.043 38.487 0.039 0.000 1.378 125 N HN -0.041 8.340 8.380 0.003 0.000 0.520 126 Y N 3.387 123.712 120.300 0.042 0.000 2.442 126 Y HA 0.203 nan 4.550 nan 0.000 0.330 126 Y C -2.727 173.228 175.900 0.091 0.000 1.100 126 Y CA -2.598 55.535 58.100 0.055 0.000 1.034 126 Y CB 3.717 42.206 38.460 0.049 0.000 1.285 126 Y HN -0.664 7.726 8.280 0.246 0.037 0.440 127 P HA -0.023 nan 4.420 nan 0.000 0.264 127 P C -1.793 175.472 177.300 -0.058 0.000 1.236 127 P CA 0.276 63.282 63.100 -0.156 0.000 0.811 127 P CB -0.294 31.286 31.700 -0.200 0.000 0.840 128 L N 6.610 127.889 121.223 0.093 0.000 2.343 128 L HA 0.131 nan 4.340 nan 0.000 0.278 128 L C -1.421 175.485 176.870 0.059 0.000 0.996 128 L CA -1.176 53.749 54.840 0.142 0.000 0.831 128 L CB 2.390 44.595 42.059 0.244 0.000 1.232 128 L HN -0.203 8.086 8.230 0.097 0.000 0.413 129 D N 4.330 124.755 120.400 0.042 0.000 2.450 129 D HA -0.094 nan 4.640 nan 0.000 0.247 129 D C 0.760 177.058 176.300 -0.002 0.000 1.162 129 D CA 0.753 54.759 54.000 0.009 0.000 0.879 129 D CB 0.604 41.408 40.800 0.008 0.000 1.163 129 D HN 0.258 8.664 8.370 0.059 0.000 0.472 130 D N 4.102 124.487 120.400 -0.025 0.000 3.048 130 D HA -0.567 nan 4.640 nan 0.000 0.192 130 D C 2.236 178.509 176.300 -0.045 0.000 1.125 130 D CA 4.265 58.237 54.000 -0.046 0.000 0.878 130 D CB -0.345 40.431 40.800 -0.041 0.000 0.924 130 D HN 0.444 8.799 8.370 -0.026 0.000 0.496 131 Q N -1.706 118.080 119.800 -0.023 0.000 2.061 131 Q HA -0.306 nan 4.340 nan 0.000 0.204 131 Q C 2.457 178.453 176.000 -0.007 0.000 0.984 131 Q CA 3.055 58.849 55.803 -0.016 0.000 0.846 131 Q CB -0.255 28.480 28.738 -0.005 0.000 0.902 131 Q HN 0.270 8.522 8.270 -0.016 0.008 0.421 132 D N -0.910 119.497 120.400 0.013 0.000 2.264 132 D HA -0.182 nan 4.640 nan 0.000 0.208 132 D C 1.673 178.004 176.300 0.051 0.000 0.966 132 D CA 2.724 56.751 54.000 0.045 0.000 0.864 132 D CB -0.739 40.107 40.800 0.077 0.000 0.933 132 D HN 0.161 8.539 8.370 0.013 0.000 0.499 133 A N 0.524 123.333 122.820 -0.018 0.000 1.855 133 A HA -0.196 nan 4.320 nan 0.000 0.215 133 A C 1.959 179.414 177.584 -0.215 0.000 1.191 133 A CA 3.094 55.041 52.037 -0.150 0.000 0.613 133 A CB -0.510 18.317 19.000 -0.289 0.000 0.829 133 A HN -0.502 7.475 8.150 -0.031 0.154 0.442 134 I N -1.493 118.980 120.570 -0.161 0.000 2.208 134 I HA -0.607 nan 4.170 nan 0.000 0.245 134 I C 1.795 177.903 176.117 -0.015 0.000 1.097 134 I CA 4.003 65.239 61.300 -0.106 0.000 1.363 134 I CB -0.395 37.563 38.000 -0.070 0.000 1.051 134 I HN -0.391 7.739 8.210 -0.133 0.000 0.413 135 A N -0.163 122.664 122.820 0.011 0.000 1.883 135 A HA -0.294 nan 4.320 nan 0.000 0.217 135 A C 2.268 179.905 177.584 0.088 0.000 1.186 135 A CA 3.523 55.586 52.037 0.044 0.000 0.624 135 A CB -0.801 18.224 19.000 0.041 0.000 0.822 135 A HN -0.052 8.033 8.150 -0.004 0.063 0.444 136 V N -1.116 118.885 119.914 0.146 0.000 2.626 136 V HA -0.438 nan 4.120 nan 0.000 0.252 136 V C 1.897 178.160 176.094 0.282 0.000 1.067 136 V CA 3.733 66.163 62.300 0.218 0.000 1.081 136 V CB -1.198 30.821 31.823 0.327 0.000 0.686 136 V HN 0.096 8.187 8.190 0.136 0.181 0.468 137 E N -0.011 120.379 120.200 0.317 0.000 2.031 137 E HA -0.374 nan 4.350 nan 0.000 0.193 137 E C 2.414 179.108 176.600 0.157 0.000 0.994 137 E CA 3.432 60.020 56.400 0.313 0.000 0.800 137 E CB -0.173 29.605 29.700 0.131 0.000 0.752 137 E HN 0.033 8.400 8.360 0.205 0.116 0.447 138 A N -0.574 122.305 122.820 0.098 0.000 1.986 138 A HA -0.208 nan 4.320 nan 0.000 0.220 138 A C 0.986 178.608 177.584 0.063 0.000 1.171 138 A CA 2.483 54.559 52.037 0.064 0.000 0.640 138 A CB -0.726 18.300 19.000 0.044 0.000 0.811 138 A HN 0.115 8.317 8.150 0.087 0.000 0.451 139 A N -4.507 118.359 122.820 0.076 0.000 2.066 139 A HA -0.005 nan 4.320 nan 0.000 0.218 139 A C 0.708 178.324 177.584 0.054 0.000 1.157 139 A CA 0.992 53.067 52.037 0.063 0.000 0.670 139 A CB 0.382 19.421 19.000 0.065 0.000 0.804 139 A HN -0.593 7.474 8.150 0.096 0.140 0.453 140 C N 1.070 120.408 119.300 0.064 0.000 2.896 140 C HA 0.003 nan 4.460 nan 0.000 0.499 140 C C -0.032 174.978 174.990 0.033 0.000 1.022 140 C CA -1.115 57.927 59.018 0.039 0.000 1.127 140 C CB -3.020 24.749 27.740 0.048 0.000 1.452 140 C HN -0.299 7.817 8.230 0.093 0.171 0.580 141 T N 1.703 116.272 114.554 0.026 0.000 2.758 141 T HA -0.118 nan 4.350 nan 0.000 0.281 141 T C -0.171 174.537 174.700 0.013 0.000 0.963 141 T CA 1.146 63.258 62.100 0.021 0.000 1.201 141 T CB -0.607 68.272 68.868 0.020 0.000 0.906 141 T HN 0.150 8.360 8.240 0.026 0.046 0.528 142 N N -1.501 117.209 118.700 0.016 0.000 2.661 142 N HA -0.455 nan 4.740 nan 0.000 0.249 142 N C -1.220 174.294 175.510 0.007 0.000 1.142 142 N CA 0.730 53.786 53.050 0.011 0.000 0.727 142 N CB -1.371 37.121 38.487 0.008 0.000 1.099 142 N HN 0.472 8.864 8.380 0.021 0.000 0.558 143 V N -0.789 119.129 119.914 0.007 0.000 2.604 143 V HA 0.321 nan 4.120 nan 0.000 0.305 143 V C -2.503 173.594 176.094 0.005 0.000 1.043 143 V CA -2.695 59.603 62.300 -0.002 0.000 0.888 143 V CB 1.908 33.721 31.823 -0.016 0.000 0.995 143 V HN -0.641 7.507 8.190 0.012 0.049 0.429 144 P HA 0.024 nan 4.420 nan 0.000 0.267 144 P C -1.913 175.388 177.300 0.001 0.000 1.205 144 P CA 0.063 63.172 63.100 0.016 0.000 0.765 144 P CB 0.880 32.586 31.700 0.010 0.000 0.828 145 A N 3.712 126.555 122.820 0.037 0.000 2.287 145 A HA 0.572 nan 4.320 nan 0.000 0.317 145 A C -2.214 175.388 177.584 0.030 0.000 1.220 145 A CA -1.028 50.989 52.037 -0.032 0.000 0.835 145 A CB 1.769 20.799 19.000 0.051 0.000 1.180 145 A HN -0.020 8.182 8.150 0.087 0.000 0.500 146 L N 3.219 124.374 121.223 -0.114 0.000 2.319 146 L HA 0.683 nan 4.340 nan 0.000 0.281 146 L C -2.310 174.505 176.870 -0.093 0.000 1.005 146 L CA -1.710 53.140 54.840 0.016 0.000 0.828 146 L CB 2.394 44.454 42.059 0.001 0.000 1.227 146 L HN 0.571 8.564 8.230 -0.210 0.111 0.415 147 F N 6.557 126.519 119.950 0.020 0.000 2.379 147 F HA 0.517 nan 4.527 nan 0.000 0.332 147 F C -0.382 175.436 175.800 0.030 0.000 1.096 147 F CA -0.139 57.880 58.000 0.032 0.000 1.105 147 F CB 1.573 40.595 39.000 0.037 0.000 1.189 147 F HN 0.932 9.588 8.300 0.593 0.000 0.515 148 L N -0.382 120.960 121.223 0.198 0.000 2.840 148 L HA 0.223 nan 4.340 nan 0.000 0.249 148 L C -0.680 176.276 176.870 0.144 0.000 1.119 148 L CA 0.637 55.559 54.840 0.136 0.000 0.930 148 L CB 1.230 43.345 42.059 0.093 0.000 1.295 148 L HN 0.213 8.560 8.230 0.195 0.000 0.534 149 D N -0.748 119.747 120.400 0.158 0.000 2.795 149 D HA 0.185 nan 4.640 nan 0.000 0.335 149 D C -1.551 174.810 176.300 0.102 0.000 1.262 149 D CA -0.860 53.207 54.000 0.112 0.000 0.885 149 D CB 0.498 41.339 40.800 0.068 0.000 1.047 149 D HN -0.530 7.964 8.370 0.208 0.000 0.500 150 V N -5.188 114.783 119.914 0.095 0.000 3.165 150 V HA 0.819 nan 4.120 nan 0.000 0.307 150 V C -1.898 174.206 176.094 0.017 0.000 1.281 150 V CA -3.834 58.495 62.300 0.048 0.000 1.056 150 V CB 3.421 35.259 31.823 0.025 0.000 1.178 150 V HN -0.917 7.336 8.190 0.106 0.000 0.475 151 S N -0.290 115.404 115.700 -0.009 0.000 2.672 151 S HA 0.201 nan 4.470 nan 0.000 0.276 151 S C 0.270 174.885 174.600 0.024 0.000 1.207 151 S CA -1.369 56.825 58.200 -0.010 0.000 1.002 151 S CB 1.612 64.798 63.200 -0.023 0.000 0.998 151 S HN -0.014 8.282 8.310 -0.023 0.000 0.542 152 D N -0.573 119.867 120.400 0.066 0.000 2.312 152 D HA -0.087 nan 4.640 nan 0.000 0.211 152 D C 0.515 176.839 176.300 0.041 0.000 0.964 152 D CA 1.462 55.509 54.000 0.079 0.000 0.877 152 D CB -0.009 40.872 40.800 0.135 0.000 0.924 152 D HN 0.409 8.827 8.370 0.080 0.000 0.515 153 Q N -0.577 119.238 119.800 0.026 0.000 2.721 153 Q HA 0.235 nan 4.340 nan 0.000 0.257 153 Q C -1.494 174.496 176.000 -0.017 0.000 1.070 153 Q CA -0.644 55.164 55.803 0.008 0.000 0.910 153 Q CB 0.334 29.081 28.738 0.016 0.000 1.163 153 Q HN -0.495 7.744 8.270 0.027 0.047 0.501 154 T N 3.122 117.655 114.554 -0.034 0.000 3.237 154 T HA 0.247 nan 4.350 nan 0.000 0.319 154 T C -2.642 172.015 174.700 -0.072 0.000 1.037 154 T CA -0.985 61.076 62.100 -0.066 0.000 1.048 154 T CB 2.054 70.856 68.868 -0.110 0.000 1.081 154 T HN -0.333 7.890 8.240 -0.027 0.000 0.455 155 P HA 0.283 nan 4.420 nan 0.000 0.256 155 P C -1.609 175.647 177.300 -0.074 0.000 1.688 155 P CA 0.174 63.244 63.100 -0.051 0.000 1.162 155 P CB -1.377 30.302 31.700 -0.035 0.000 1.870 156 I N -2.364 118.155 120.570 -0.085 0.000 3.263 156 I HA 0.302 nan 4.170 nan 0.000 0.314 156 I C -1.929 174.183 176.117 -0.008 0.000 1.269 156 I CA -2.399 58.842 61.300 -0.098 0.000 0.942 156 I CB 3.619 41.409 38.000 -0.351 0.000 1.305 156 I HN -0.449 7.699 8.210 -0.067 0.022 0.474 157 N N 3.359 122.114 118.700 0.092 0.000 2.448 157 N HA 0.175 nan 4.740 nan 0.000 0.250 157 N C -1.468 174.154 175.510 0.186 0.000 1.136 157 N CA -0.091 53.036 53.050 0.128 0.000 0.953 157 N CB -0.526 38.047 38.487 0.144 0.000 1.251 157 N HN 0.452 8.918 8.380 0.142 0.000 0.502 158 S N 1.370 117.135 115.700 0.108 0.000 2.526 158 S HA 0.748 nan 4.470 nan 0.000 0.293 158 S C -1.233 173.403 174.600 0.060 0.000 1.092 158 S CA -1.248 57.022 58.200 0.117 0.000 0.980 158 S CB 2.939 66.185 63.200 0.078 0.000 1.048 158 S HN -0.190 8.052 8.310 0.064 0.106 0.483 159 I N 3.432 124.029 120.570 0.046 0.000 2.464 159 I HA 0.384 nan 4.170 nan 0.000 0.277 159 I C -1.044 175.043 176.117 -0.050 0.000 1.040 159 I CA -0.371 60.915 61.300 -0.023 0.000 1.153 159 I CB 0.644 38.616 38.000 -0.047 0.000 1.274 159 I HN 0.008 8.264 8.210 0.077 0.000 0.469 160 I N 0.624 121.169 120.570 -0.041 0.000 2.797 160 I HA 0.490 nan 4.170 nan 0.000 0.307 160 I C -1.767 174.329 176.117 -0.036 0.000 1.033 160 I CA -2.321 58.975 61.300 -0.006 0.000 1.071 160 I CB 4.182 42.237 38.000 0.091 0.000 1.255 160 I HN 0.476 8.579 8.210 -0.025 0.091 0.445 161 F N 0.985 120.994 119.950 0.099 0.000 2.380 161 F HA 0.219 nan 4.527 nan 0.000 0.325 161 F C 0.054 175.933 175.800 0.132 0.000 1.136 161 F CA -0.127 57.929 58.000 0.094 0.000 1.171 161 F CB 0.944 40.003 39.000 0.098 0.000 1.230 161 F HN -0.085 8.400 8.300 0.307 0.000 0.554 162 S N 1.112 117.008 115.700 0.327 0.000 2.405 162 S HA 0.155 nan 4.470 nan 0.000 0.291 162 S C 0.793 175.512 174.600 0.199 0.000 1.137 162 S CA -1.265 57.042 58.200 0.178 0.000 1.061 162 S CB -0.076 63.175 63.200 0.085 0.000 1.001 162 S HN 0.383 8.912 8.310 0.364 0.000 0.507 163 H N 5.874 125.052 119.070 0.181 0.000 2.502 163 H HA -0.009 nan 4.556 nan 0.000 0.283 163 H C 1.635 177.070 175.328 0.178 0.000 1.015 163 H CA 1.926 58.091 56.048 0.195 0.000 1.298 163 H CB -0.100 29.723 29.762 0.102 0.000 1.411 163 H HN 0.368 8.790 8.280 0.237 0.000 0.556 164 E N -0.170 119.821 120.200 -0.347 0.000 2.077 164 E HA -0.349 nan 4.350 nan 0.000 0.193 164 E C 2.012 178.571 176.600 -0.068 0.000 0.989 164 E CA 3.029 59.367 56.400 -0.103 0.000 0.800 164 E CB -0.598 29.042 29.700 -0.100 0.000 0.746 164 E HN 0.026 8.005 8.360 -0.588 0.029 0.452 165 D N -0.836 119.528 120.400 -0.060 0.000 2.123 165 D HA -0.126 nan 4.640 nan 0.000 0.200 165 D C 2.369 178.629 176.300 -0.066 0.000 0.976 165 D CA 2.754 56.706 54.000 -0.079 0.000 0.831 165 D CB -0.447 40.328 40.800 -0.041 0.000 0.974 165 D HN -0.741 7.599 8.370 -0.051 0.000 0.469 166 G N -0.880 107.939 108.800 0.031 0.000 2.446 166 G HA2 -0.369 nan 3.960 nan 0.000 0.217 166 G HA3 -0.369 nan 3.960 nan 0.000 0.217 166 G C 1.241 176.212 174.900 0.118 0.000 1.168 166 G CA 2.583 47.680 45.100 -0.005 0.000 0.771 166 G HN -0.192 8.100 8.290 0.096 0.056 0.551 167 T N 0.224 114.938 114.554 0.266 0.000 2.821 167 T HA -0.247 nan 4.350 nan 0.000 0.267 167 T C 1.826 176.586 174.700 0.100 0.000 1.046 167 T CA 3.528 65.846 62.100 0.363 0.000 1.139 167 T CB -0.541 68.547 68.868 0.367 0.000 0.871 167 T HN 0.165 8.447 8.240 0.255 0.110 0.454 168 R N 2.650 122.974 120.500 -0.294 0.000 2.066 168 R HA -0.255 nan 4.340 nan 0.000 0.232 168 R C 1.968 178.141 176.300 -0.211 0.000 1.131 168 R CA 3.222 58.980 56.100 -0.570 0.000 0.955 168 R CB -0.172 29.625 30.300 -0.838 0.000 0.851 168 R HN -0.375 7.659 8.270 -0.269 0.075 0.432 169 L N -2.977 118.159 121.223 -0.145 0.000 2.083 169 L HA -0.314 nan 4.340 nan 0.000 0.209 169 L C 2.520 179.369 176.870 -0.035 0.000 1.083 169 L CA 2.512 57.295 54.840 -0.095 0.000 0.752 169 L CB -0.608 41.373 42.059 -0.129 0.000 0.899 169 L HN 0.340 8.476 8.230 -0.157 0.000 0.433 170 G N -0.915 107.881 108.800 -0.007 0.000 2.434 170 G HA2 -0.309 nan 3.960 nan 0.000 0.214 170 G HA3 -0.309 nan 3.960 nan 0.000 0.214 170 G C 0.986 175.923 174.900 0.062 0.000 1.202 170 G CA 2.016 47.142 45.100 0.043 0.000 0.788 170 G HN -0.560 7.713 8.290 -0.011 0.011 0.539 171 V N 2.648 122.605 119.914 0.071 0.000 2.287 171 V HA -0.498 nan 4.120 nan 0.000 0.248 171 V C 2.383 178.520 176.094 0.073 0.000 1.053 171 V CA 4.144 66.489 62.300 0.075 0.000 1.027 171 V CB -0.631 31.293 31.823 0.168 0.000 0.646 171 V HN 0.080 8.335 8.190 0.108 0.000 0.447 172 E N -2.465 117.770 120.200 0.058 0.000 2.153 172 E HA -0.432 nan 4.350 nan 0.000 0.194 172 E C 2.147 178.808 176.600 0.101 0.000 0.988 172 E CA 3.066 59.503 56.400 0.062 0.000 0.811 172 E CB -0.363 29.352 29.700 0.024 0.000 0.746 172 E HN 0.349 8.611 8.360 0.022 0.111 0.466 173 H N 1.029 120.097 119.070 -0.004 0.000 2.276 173 H HA -0.221 nan 4.556 nan 0.000 0.301 173 H C 2.308 177.662 175.328 0.043 0.000 1.073 173 H CA 2.921 58.972 56.048 0.005 0.000 1.311 173 H CB 0.564 30.318 29.762 -0.014 0.000 1.379 173 H HN -0.717 7.554 8.280 0.169 0.111 0.494 174 L N -2.806 118.411 121.223 -0.010 0.000 2.131 174 L HA -0.355 nan 4.340 nan 0.000 0.210 174 L C 2.268 179.189 176.870 0.085 0.000 1.092 174 L CA 2.913 57.755 54.840 0.003 0.000 0.759 174 L CB 0.059 42.086 42.059 -0.053 0.000 0.903 174 L HN -0.265 8.013 8.230 0.079 0.000 0.435 175 V N -6.034 113.910 119.914 0.049 0.000 2.719 175 V HA -0.191 nan 4.120 nan 0.000 0.252 175 V C 2.054 178.152 176.094 0.007 0.000 1.065 175 V CA 2.819 65.146 62.300 0.044 0.000 1.086 175 V CB -1.314 30.541 31.823 0.053 0.000 0.700 175 V HN -0.023 8.186 8.190 0.050 0.011 0.467 176 A N 1.291 124.109 122.820 -0.002 0.000 1.969 176 A HA -0.203 nan 4.320 nan 0.000 0.218 176 A C 1.432 178.976 177.584 -0.067 0.000 1.169 176 A CA 2.738 54.764 52.037 -0.017 0.000 0.635 176 A CB -0.455 18.555 19.000 0.016 0.000 0.810 176 A HN -0.227 7.819 8.150 0.012 0.111 0.445 177 L N -6.276 114.874 121.223 -0.122 0.000 2.376 177 L HA -0.178 nan 4.340 nan 0.000 0.219 177 L C 0.320 177.031 176.870 -0.265 0.000 1.133 177 L CA 0.406 55.127 54.840 -0.199 0.000 0.816 177 L CB 0.089 41.990 42.059 -0.264 0.000 0.933 177 L HN -0.719 7.443 8.230 -0.113 0.000 0.449 178 G N -6.031 102.640 108.800 -0.215 0.000 2.143 178 G HA2 -0.344 nan 3.960 nan 0.000 0.175 178 G HA3 -0.344 nan 3.960 nan 0.000 0.175 178 G C -0.376 174.394 174.900 -0.217 0.000 1.004 178 G CA -0.516 44.470 45.100 -0.190 0.000 0.671 178 G HN -0.711 7.326 8.290 -0.136 0.172 0.512 179 H N -0.137 118.901 119.070 -0.053 0.000 2.652 179 H HA -0.022 nan 4.556 nan 0.000 0.349 179 H C -0.361 174.948 175.328 -0.032 0.000 1.099 179 H CA 0.744 56.763 56.048 -0.049 0.000 1.417 179 H CB 0.975 30.697 29.762 -0.067 0.000 1.457 179 H HN -0.453 7.755 8.280 -0.121 0.000 0.568 180 Q N 1.810 121.673 119.800 0.105 0.000 2.527 180 Q HA 0.202 nan 4.340 nan 0.000 0.252 180 Q C -0.164 175.865 176.000 0.047 0.000 0.827 180 Q CA 1.086 56.922 55.803 0.056 0.000 0.979 180 Q CB 1.352 30.108 28.738 0.031 0.000 1.248 180 Q HN 0.390 8.736 8.270 0.127 0.000 0.578 181 Q N 1.060 120.889 119.800 0.049 0.000 2.490 181 Q HA 0.108 nan 4.340 nan 0.000 0.226 181 Q C -1.509 174.485 176.000 -0.010 0.000 1.132 181 Q CA -0.579 55.237 55.803 0.021 0.000 0.928 181 Q CB 0.155 28.905 28.738 0.019 0.000 1.299 181 Q HN -0.175 8.138 8.270 0.071 0.000 0.528 182 I N 3.274 123.827 120.570 -0.029 0.000 2.406 182 I HA 0.456 nan 4.170 nan 0.000 0.290 182 I C -1.905 174.160 176.117 -0.087 0.000 0.999 182 I CA -1.419 59.828 61.300 -0.089 0.000 1.124 182 I CB 2.801 40.741 38.000 -0.100 0.000 1.289 182 I HN -0.232 7.973 8.210 -0.009 0.000 0.441 183 A N 6.735 129.485 122.820 -0.116 0.000 2.320 183 A HA 0.891 nan 4.320 nan 0.000 0.334 183 A C -2.071 175.412 177.584 -0.168 0.000 1.147 183 A CA -2.340 49.639 52.037 -0.098 0.000 0.820 183 A CB 2.345 21.300 19.000 -0.073 0.000 1.218 183 A HN 0.639 8.705 8.150 -0.140 0.000 0.482 184 L N -0.992 120.157 121.223 -0.125 0.000 2.334 184 L HA 0.891 nan 4.340 nan 0.000 0.272 184 L C -0.978 175.871 176.870 -0.036 0.000 1.020 184 L CA -1.287 53.446 54.840 -0.178 0.000 0.812 184 L CB 2.211 44.284 42.059 0.023 0.000 1.264 184 L HN -0.043 8.154 8.230 -0.055 0.000 0.439 185 L N 1.963 123.195 121.223 0.014 0.000 2.480 185 L HA 0.378 nan 4.340 nan 0.000 0.253 185 L C -2.107 174.905 176.870 0.237 0.000 1.324 185 L CA -1.285 53.607 54.840 0.088 0.000 0.916 185 L CB 1.558 43.638 42.059 0.035 0.000 1.160 185 L HN 0.190 8.353 8.230 -0.112 0.000 0.503 186 A N 4.344 127.316 122.820 0.253 0.000 2.429 186 A HA 0.068 nan 4.320 nan 0.000 0.242 186 A C -0.752 176.749 177.584 -0.140 0.000 1.088 186 A CA 0.313 52.425 52.037 0.125 0.000 0.784 186 A CB 1.129 20.130 19.000 0.002 0.000 1.038 186 A HN 0.422 8.691 8.150 0.199 0.000 0.501 187 G N -3.006 105.554 108.800 -0.400 0.000 2.535 187 G HA2 0.280 nan 3.960 nan 0.000 0.282 187 G HA3 0.280 nan 3.960 nan 0.000 0.282 187 G C -2.378 172.056 174.900 -0.776 0.000 1.350 187 G CA -2.469 42.005 45.100 -1.044 0.000 1.039 187 G HN 0.225 8.314 8.290 -0.335 0.000 0.509 188 P HA -0.037 nan 4.420 nan 0.000 0.266 188 P C 0.056 177.157 177.300 -0.332 0.000 1.215 188 P CA -0.085 62.722 63.100 -0.489 0.000 0.763 188 P CB 0.474 31.903 31.700 -0.452 0.000 0.806 189 L N 3.800 124.893 121.223 -0.217 0.000 2.551 189 L HA -0.325 nan 4.340 nan 0.000 0.230 189 L C 1.561 178.365 176.870 -0.110 0.000 1.163 189 L CA 2.165 56.916 54.840 -0.148 0.000 0.826 189 L CB -1.620 40.377 42.059 -0.102 0.000 0.943 189 L HN -0.045 8.223 8.230 -0.199 -0.157 0.452 190 S N -4.330 111.305 115.700 -0.109 0.000 2.607 190 S HA -0.122 nan 4.470 nan 0.000 0.224 190 S C 0.465 175.026 174.600 -0.064 0.000 0.969 190 S CA 0.549 58.707 58.200 -0.070 0.000 0.927 190 S CB -0.312 62.854 63.200 -0.057 0.000 0.772 190 S HN -0.147 8.003 8.310 -0.138 0.076 0.533 191 S N 1.503 117.158 115.700 -0.076 0.000 2.508 191 S HA 0.158 nan 4.470 nan 0.000 0.284 191 S C 0.389 174.968 174.600 -0.035 0.000 1.192 191 S CA -2.078 56.108 58.200 -0.023 0.000 1.070 191 S CB 1.170 64.423 63.200 0.088 0.000 1.004 191 S HN -0.227 7.825 8.310 -0.117 0.188 0.493 192 V N 6.234 126.132 119.914 -0.026 0.000 2.270 192 V HA -0.289 nan 4.120 nan 0.000 0.245 192 V C 1.667 177.714 176.094 -0.078 0.000 1.043 192 V CA 3.529 65.798 62.300 -0.052 0.000 1.014 192 V CB -0.409 31.391 31.823 -0.038 0.000 0.645 192 V HN 0.816 8.995 8.190 -0.018 0.000 0.447 193 S N -0.218 115.464 115.700 -0.029 0.000 2.368 193 S HA -0.319 nan 4.470 nan 0.000 0.225 193 S C 1.636 176.204 174.600 -0.053 0.000 1.030 193 S CA 3.826 61.998 58.200 -0.046 0.000 0.999 193 S CB -0.689 62.522 63.200 0.019 0.000 0.844 193 S HN -0.034 8.283 8.310 0.012 0.000 0.459 194 A N 1.000 123.850 122.820 0.049 0.000 1.902 194 A HA -0.267 nan 4.320 nan 0.000 0.217 194 A C 2.026 179.478 177.584 -0.221 0.000 1.181 194 A CA 3.045 55.023 52.037 -0.098 0.000 0.623 194 A CB -0.607 18.229 19.000 -0.273 0.000 0.818 194 A HN -0.495 7.732 8.150 0.128 0.000 0.443 195 R N -2.427 117.970 120.500 -0.172 0.000 2.148 195 R HA -0.247 nan 4.340 nan 0.000 0.223 195 R C 2.696 178.873 176.300 -0.205 0.000 1.088 195 R CA 3.001 58.999 56.100 -0.170 0.000 0.985 195 R CB -0.116 30.115 30.300 -0.115 0.000 0.880 195 R HN -0.364 7.761 8.270 -0.126 0.070 0.451 196 L N -0.312 120.753 121.223 -0.264 0.000 2.023 196 L HA -0.323 nan 4.340 nan 0.000 0.205 196 L C 1.908 178.601 176.870 -0.294 0.000 1.073 196 L CA 3.127 57.746 54.840 -0.367 0.000 0.745 196 L CB -0.559 41.064 42.059 -0.727 0.000 0.900 196 L HN 0.190 8.170 8.230 -0.242 0.105 0.435 197 R N -1.639 118.633 120.500 -0.380 0.000 2.083 197 R HA -0.368 nan 4.340 nan 0.000 0.237 197 R C 2.568 178.263 176.300 -1.008 0.000 1.137 197 R CA 3.392 59.153 56.100 -0.565 0.000 0.951 197 R CB -0.346 29.533 30.300 -0.703 0.000 0.851 197 R HN -0.212 7.837 8.270 -0.369 0.000 0.434 198 L N -1.308 119.387 121.223 -0.881 0.000 2.013 198 L HA -0.355 nan 4.340 nan 0.000 0.212 198 L C 1.523 178.169 176.870 -0.373 0.000 1.073 198 L CA 3.060 57.442 54.840 -0.763 0.000 0.753 198 L CB -0.403 41.447 42.059 -0.349 0.000 0.890 198 L HN -0.162 7.683 8.230 -0.643 0.000 0.432 199 A N -2.409 120.310 122.820 -0.169 0.000 1.873 199 A HA -0.368 nan 4.320 nan 0.000 0.218 199 A C 1.992 179.627 177.584 0.084 0.000 1.193 199 A CA 3.193 55.252 52.037 0.037 0.000 0.629 199 A CB -0.956 18.059 19.000 0.025 0.000 0.826 199 A HN -0.402 7.622 8.150 -0.211 0.000 0.447 200 G N -1.834 107.008 108.800 0.070 0.000 2.469 200 G HA2 -0.327 nan 3.960 nan 0.000 0.219 200 G HA3 -0.327 nan 3.960 nan 0.000 0.219 200 G C 1.034 176.186 174.900 0.420 0.000 1.150 200 G CA 1.999 47.269 45.100 0.283 0.000 0.763 200 G HN -0.069 8.213 8.290 -0.014 0.000 0.561 201 W N 0.529 121.938 121.300 0.182 0.000 2.338 201 W HA -0.292 nan 4.660 nan 0.000 0.304 201 W C 2.128 178.701 176.519 0.090 0.000 1.212 201 W CA 2.323 59.729 57.345 0.102 0.000 1.264 201 W CB -1.004 28.426 29.460 -0.050 0.000 1.142 201 W HN -0.254 7.847 8.180 -0.119 0.007 0.512 202 H N -0.895 118.353 119.070 0.297 0.000 2.276 202 H HA -0.374 nan 4.556 nan 0.000 0.301 202 H C 2.557 177.934 175.328 0.082 0.000 1.073 202 H CA 3.783 59.927 56.048 0.161 0.000 1.311 202 H CB 0.051 29.869 29.762 0.093 0.000 1.379 202 H HN -0.882 7.402 8.280 0.172 0.100 0.494 203 K N 0.224 120.699 120.400 0.125 0.000 2.127 203 K HA -0.460 nan 4.320 nan 0.000 0.208 203 K C 2.669 179.084 176.600 -0.308 0.000 1.047 203 K CA 3.182 59.369 56.287 -0.167 0.000 0.927 203 K CB -0.028 32.244 32.500 -0.380 0.000 0.716 203 K HN 0.210 8.456 8.250 0.169 0.105 0.450 204 Y N -2.895 117.497 120.300 0.153 0.000 2.436 204 Y HA -0.110 nan 4.550 nan 0.000 0.288 204 Y C 1.972 177.946 175.900 0.124 0.000 1.112 204 Y CA 2.831 61.009 58.100 0.130 0.000 1.220 204 Y CB 0.474 39.017 38.460 0.139 0.000 1.073 204 Y HN -0.142 8.252 8.280 0.216 0.015 0.552 205 L N -0.183 121.202 121.223 0.270 0.000 2.012 205 L HA -0.525 nan 4.340 nan 0.000 0.210 205 L C 2.292 179.248 176.870 0.143 0.000 1.073 205 L CA 3.588 58.545 54.840 0.195 0.000 0.748 205 L CB -0.301 41.876 42.059 0.197 0.000 0.891 205 L HN 0.521 8.745 8.230 0.306 0.190 0.431 206 T N -4.047 110.583 114.554 0.127 0.000 2.821 206 T HA -0.296 nan 4.350 nan 0.000 0.267 206 T C 2.432 177.170 174.700 0.063 0.000 1.046 206 T CA 3.290 65.438 62.100 0.079 0.000 1.139 206 T CB -0.745 68.155 68.868 0.052 0.000 0.871 206 T HN 0.371 8.698 8.240 0.146 0.000 0.454 207 R N 1.742 122.282 120.500 0.066 0.000 2.115 207 R HA -0.317 nan 4.340 nan 0.000 0.239 207 R C 2.417 178.764 176.300 0.078 0.000 1.133 207 R CA 2.410 58.551 56.100 0.068 0.000 0.935 207 R CB -0.784 29.586 30.300 0.116 0.000 0.853 207 R HN -0.510 7.715 8.270 0.066 0.085 0.433 208 N N 1.460 120.220 118.700 0.099 0.000 2.484 208 N HA -0.039 nan 4.740 nan 0.000 0.245 208 N C -0.922 174.627 175.510 0.065 0.000 1.184 208 N CA -0.007 53.092 53.050 0.081 0.000 0.884 208 N CB -1.001 37.540 38.487 0.091 0.000 1.182 208 N HN -0.415 8.040 8.380 0.124 0.000 0.493 209 Q N -3.519 116.316 119.800 0.058 0.000 2.386 209 Q HA -0.492 nan 4.340 nan 0.000 0.361 209 Q C -1.333 174.696 176.000 0.049 0.000 1.325 209 Q CA 1.590 57.421 55.803 0.048 0.000 1.097 209 Q CB -2.017 26.742 28.738 0.035 0.000 1.303 209 Q HN 0.106 8.215 8.270 0.058 0.196 0.377 210 I N -2.067 118.541 120.570 0.063 0.000 2.647 210 I HA 0.163 nan 4.170 nan 0.000 0.295 210 I C -1.961 174.202 176.117 0.077 0.000 1.078 210 I CA -1.445 59.892 61.300 0.062 0.000 1.048 210 I CB 3.172 41.209 38.000 0.062 0.000 1.239 210 I HN -0.114 8.139 8.210 0.075 0.002 0.421 211 Q N 4.528 124.370 119.800 0.069 0.000 2.347 211 Q HA 0.484 nan 4.340 nan 0.000 0.271 211 Q C -2.148 173.895 176.000 0.073 0.000 1.064 211 Q CA -3.979 51.877 55.803 0.087 0.000 0.800 211 Q CB 2.446 31.227 28.738 0.072 0.000 1.304 211 Q HN 0.299 8.602 8.270 0.054 0.000 0.438 212 P HA 0.051 nan 4.420 nan 0.000 0.266 212 P C -0.828 176.499 177.300 0.046 0.000 1.195 212 P CA 0.321 63.453 63.100 0.055 0.000 0.768 212 P CB 0.446 32.193 31.700 0.077 0.000 0.838 213 I N -3.735 116.846 120.570 0.020 0.000 3.793 213 I HA 0.201 nan 4.170 nan 0.000 0.315 213 I C -1.292 174.831 176.117 0.011 0.000 1.275 213 I CA -0.480 60.828 61.300 0.014 0.000 1.214 213 I CB 0.330 38.332 38.000 0.004 0.000 1.018 213 I HN -0.187 8.026 8.210 0.005 0.000 0.439 214 A N -1.682 121.146 122.820 0.013 0.000 2.599 214 A HA 0.269 nan 4.320 nan 0.000 0.294 214 A C -2.811 174.788 177.584 0.024 0.000 1.055 214 A CA 0.104 52.147 52.037 0.011 0.000 0.683 214 A CB 2.146 21.139 19.000 -0.011 0.000 1.278 214 A HN -0.701 7.374 8.150 0.017 0.085 0.412 215 E N -0.072 120.149 120.200 0.034 0.000 2.335 215 E HA 0.484 nan 4.350 nan 0.000 0.280 215 E C -1.959 174.663 176.600 0.037 0.000 0.918 215 E CA -0.548 55.886 56.400 0.057 0.000 0.765 215 E CB 2.963 32.728 29.700 0.107 0.000 1.218 215 E HN 0.233 8.608 8.360 0.025 0.000 0.425 216 R N 2.920 123.441 120.500 0.035 0.000 2.728 216 R HA 0.381 nan 4.340 nan 0.000 0.274 216 R C -1.312 174.991 176.300 0.005 0.000 1.030 216 R CA -0.722 55.383 56.100 0.009 0.000 0.876 216 R CB 2.133 32.427 30.300 -0.010 0.000 1.259 216 R HN 0.423 8.726 8.270 0.056 0.000 0.468 217 E N 0.479 120.661 120.200 -0.030 0.000 2.343 217 E HA 0.610 4.960 4.350 0.000 0.000 0.278 217 E C -1.471 175.073 176.600 -0.094 0.000 0.910 217 E CA -0.499 55.858 56.400 -0.072 0.000 0.757 217 E CB 3.333 32.968 29.700 -0.107 0.000 1.218 217 E HN 0.092 nan 8.360 nan 0.000 0.435 218 G N 0.966 109.691 108.800 -0.125 0.000 2.938 218 G HA2 0.394 nan 3.960 nan 0.000 0.258 218 G HA3 0.394 nan 3.960 nan 0.000 0.258 218 G C -1.440 173.333 174.900 -0.212 0.000 1.356 218 G CA -0.354 44.678 45.100 -0.113 0.000 1.052 218 G HN 0.071 8.274 8.290 -0.145 0.000 0.550 219 D N -2.992 117.324 120.400 -0.140 0.000 2.501 219 D HA 0.159 nan 4.640 nan 0.000 0.226 219 D C 0.364 176.651 176.300 -0.021 0.000 1.198 219 D CA -1.675 52.220 54.000 -0.174 0.000 0.830 219 D CB 0.025 40.792 40.800 -0.056 0.000 1.014 219 D HN -0.446 7.890 8.370 -0.057 0.000 0.496 220 W N -4.780 116.515 121.300 -0.007 0.000 2.025 220 W HA -0.446 nan 4.660 nan 0.000 0.270 220 W C -0.942 175.558 176.519 -0.030 0.000 1.076 220 W CA 0.215 57.550 57.345 -0.017 0.000 0.477 220 W CB -1.612 27.824 29.460 -0.039 0.000 2.104 220 W HN -0.458 7.620 8.180 -0.058 0.067 1.210 221 S N -2.322 113.485 115.700 0.178 0.000 2.638 221 S HA 0.276 nan 4.470 nan 0.000 0.298 221 S C -0.162 174.496 174.600 0.095 0.000 1.111 221 S CA -1.353 56.905 58.200 0.098 0.000 1.027 221 S CB 2.547 65.791 63.200 0.074 0.000 1.064 221 S HN -0.667 7.681 8.310 0.141 0.046 0.525 222 A N 1.745 124.608 122.820 0.072 0.000 2.014 222 A HA -0.173 nan 4.320 nan 0.000 0.218 222 A C 1.283 178.929 177.584 0.104 0.000 1.163 222 A CA 3.075 55.158 52.037 0.077 0.000 0.652 222 A CB -0.665 18.359 19.000 0.040 0.000 0.808 222 A HN 0.608 8.786 8.150 0.048 0.000 0.449 223 M N -1.764 117.894 119.600 0.096 0.000 2.156 223 M HA -0.217 nan 4.480 nan 0.000 0.264 223 M C 1.269 177.668 176.300 0.166 0.000 1.067 223 M CA 1.169 56.555 55.300 0.143 0.000 1.131 223 M CB -0.390 32.269 32.600 0.098 0.000 1.368 223 M HN -0.295 8.015 8.290 0.073 0.024 0.416 224 S N -0.784 114.976 115.700 0.100 0.000 2.423 224 S HA -0.199 nan 4.470 nan 0.000 0.231 224 S C 2.735 177.368 174.600 0.055 0.000 1.014 224 S CA 3.397 61.633 58.200 0.059 0.000 0.965 224 S CB -1.017 62.200 63.200 0.028 0.000 0.785 224 S HN -0.073 8.289 8.310 0.087 0.000 0.495 225 G N 1.358 110.215 108.800 0.094 0.000 2.394 225 G HA2 -0.214 nan 3.960 nan 0.000 0.214 225 G HA3 -0.214 nan 3.960 nan 0.000 0.214 225 G C 0.379 175.337 174.900 0.097 0.000 1.176 225 G CA 1.435 46.588 45.100 0.088 0.000 0.786 225 G HN -0.423 7.809 8.290 0.111 0.124 0.533 226 F N 3.208 123.158 119.950 -0.000 0.000 2.026 226 F HA -0.370 nan 4.527 nan 0.000 0.296 226 F C 1.196 176.992 175.800 -0.007 0.000 1.133 226 F CA 2.583 60.578 58.000 -0.008 0.000 1.188 226 F CB 0.066 39.059 39.000 -0.010 0.000 0.968 226 F HN -0.187 8.209 8.300 0.271 0.067 0.476 227 Q N -2.416 117.279 119.800 -0.174 0.000 2.062 227 Q HA -0.513 nan 4.340 nan 0.000 0.209 227 Q C 2.801 178.671 176.000 -0.216 0.000 0.996 227 Q CA 3.572 59.223 55.803 -0.253 0.000 0.859 227 Q CB -0.397 28.311 28.738 -0.050 0.000 0.920 227 Q HN 0.584 8.838 8.270 0.144 0.102 0.415 228 Q N -2.164 117.566 119.800 -0.117 0.000 2.119 228 Q HA -0.194 nan 4.340 nan 0.000 0.201 228 Q C 2.907 178.845 176.000 -0.104 0.000 0.972 228 Q CA 2.618 58.368 55.803 -0.089 0.000 0.847 228 Q CB -0.389 28.320 28.738 -0.048 0.000 0.903 228 Q HN -0.303 7.926 8.270 -0.068 0.000 0.433 229 T N 3.647 118.130 114.554 -0.118 0.000 2.770 229 T HA -0.205 nan 4.350 nan 0.000 0.263 229 T C 1.766 176.371 174.700 -0.158 0.000 1.039 229 T CA 4.522 66.559 62.100 -0.106 0.000 1.142 229 T CB -0.268 68.562 68.868 -0.064 0.000 0.868 229 T HN -0.039 8.131 8.240 -0.117 0.000 0.435 230 M N 1.916 121.340 119.600 -0.293 0.000 2.149 230 M HA -0.432 nan 4.480 nan 0.000 0.261 230 M C 1.525 177.700 176.300 -0.209 0.000 1.064 230 M CA 2.956 58.054 55.300 -0.337 0.000 1.102 230 M CB -0.365 31.821 32.600 -0.690 0.000 1.369 230 M HN 0.540 8.602 8.290 -0.380 0.000 0.408 231 Q N -2.115 117.574 119.800 -0.186 0.000 2.119 231 Q HA -0.354 nan 4.340 nan 0.000 0.201 231 Q C 2.733 178.683 176.000 -0.084 0.000 0.972 231 Q CA 2.894 58.627 55.803 -0.118 0.000 0.847 231 Q CB -0.167 28.511 28.738 -0.099 0.000 0.903 231 Q HN 0.074 8.104 8.270 -0.218 0.109 0.433 232 M N 0.407 119.959 119.600 -0.081 0.000 2.132 232 M HA -0.330 nan 4.480 nan 0.000 0.263 232 M C 1.556 177.824 176.300 -0.052 0.000 1.065 232 M CA 3.325 58.590 55.300 -0.057 0.000 1.122 232 M CB 0.117 32.685 32.600 -0.053 0.000 1.365 232 M HN -0.649 7.486 8.290 -0.096 0.098 0.411 233 L N -2.148 119.037 121.223 -0.062 0.000 2.072 233 L HA -0.451 nan 4.340 nan 0.000 0.205 233 L C 2.233 179.076 176.870 -0.045 0.000 1.079 233 L CA 2.907 57.717 54.840 -0.049 0.000 0.752 233 L CB -0.583 41.446 42.059 -0.051 0.000 0.906 233 L HN 0.113 8.296 8.230 -0.079 0.000 0.436 234 N N -1.120 117.545 118.700 -0.057 0.000 2.513 234 N HA -0.271 nan 4.740 nan 0.000 0.187 234 N C 0.363 175.851 175.510 -0.035 0.000 1.056 234 N CA 2.171 55.192 53.050 -0.047 0.000 0.907 234 N CB 0.180 38.631 38.487 -0.059 0.000 0.954 234 N HN 0.143 8.477 8.380 -0.076 0.000 0.445 235 E N -3.039 117.140 120.200 -0.035 0.000 2.569 235 E HA 0.136 nan 4.350 nan 0.000 0.205 235 E C 0.388 176.975 176.600 -0.021 0.000 1.006 235 E CA -0.846 55.539 56.400 -0.026 0.000 0.985 235 E CB -0.508 29.176 29.700 -0.027 0.000 1.060 235 E HN -0.659 7.507 8.360 -0.040 0.170 0.460 236 G N -0.200 108.588 108.800 -0.021 0.000 2.184 236 G HA2 -0.456 nan 3.960 nan 0.000 0.264 236 G HA3 -0.456 nan 3.960 nan 0.000 0.264 236 G C -0.362 174.528 174.900 -0.016 0.000 0.975 236 G CA 0.893 45.983 45.100 -0.016 0.000 0.642 236 G HN 0.364 8.472 8.290 -0.024 0.168 0.536 237 I N 2.634 123.192 120.570 -0.020 0.000 2.406 237 I HA -0.117 nan 4.170 nan 0.000 0.293 237 I C -1.017 175.087 176.117 -0.022 0.000 1.101 237 I CA 0.022 61.311 61.300 -0.019 0.000 1.334 237 I CB -1.306 36.682 38.000 -0.021 0.000 1.421 237 I HN -0.473 7.652 8.210 -0.024 0.071 0.513 238 V N 8.326 128.230 119.914 -0.017 0.000 2.443 238 V HA 0.438 nan 4.120 nan 0.000 0.272 238 V C -1.847 174.239 176.094 -0.014 0.000 1.002 238 V CA -3.395 58.895 62.300 -0.018 0.000 0.840 238 V CB 1.835 33.650 31.823 -0.013 0.000 1.042 238 V HN -0.148 8.034 8.190 -0.013 0.000 0.446 239 P HA 0.449 nan 4.420 nan 0.000 0.279 239 P C -0.778 176.513 177.300 -0.016 0.000 1.282 239 P CA -0.594 62.492 63.100 -0.022 0.000 0.788 239 P CB 1.921 33.592 31.700 -0.047 0.000 1.139 240 T N -6.831 107.727 114.554 0.007 0.000 3.054 240 T HA 0.028 nan 4.350 nan 0.000 0.259 240 T C -0.329 174.317 174.700 -0.091 0.000 1.092 240 T CA 0.604 62.741 62.100 0.062 0.000 1.121 240 T CB 0.627 69.639 68.868 0.240 0.000 0.912 240 T HN 0.302 8.449 8.240 0.011 0.100 0.489 241 A N 0.299 122.982 122.820 -0.228 0.000 2.602 241 A HA 0.873 nan 4.320 nan 0.000 0.290 241 A C -3.120 174.312 177.584 -0.254 0.000 1.114 241 A CA -0.406 51.395 52.037 -0.394 0.000 0.683 241 A CB 2.949 21.439 19.000 -0.849 0.000 1.281 241 A HN -0.392 7.642 8.150 -0.147 0.028 0.416 242 M N -1.824 117.629 119.600 -0.245 0.000 2.446 242 M HA 0.666 nan 4.480 nan 0.000 0.294 242 M C -1.820 174.317 176.300 -0.271 0.000 1.158 242 M CA -0.577 54.593 55.300 -0.218 0.000 0.899 242 M CB 4.934 37.450 32.600 -0.141 0.000 1.687 242 M HN 0.479 8.515 8.290 -0.259 0.098 0.455 243 L N 2.502 123.478 121.223 -0.412 0.000 2.294 243 L HA 0.627 nan 4.340 nan 0.000 0.283 243 L C -1.761 174.775 176.870 -0.557 0.000 1.015 243 L CA -0.839 53.634 54.840 -0.612 0.000 0.831 243 L CB 1.070 42.390 42.059 -1.232 0.000 1.217 243 L HN 0.412 8.389 8.230 -0.420 0.000 0.420 244 V N 3.725 123.546 119.914 -0.156 0.000 2.612 244 V HA 0.347 nan 4.120 nan 0.000 0.301 244 V C -0.756 175.588 176.094 0.417 0.000 1.046 244 V CA -2.157 60.200 62.300 0.094 0.000 0.946 244 V CB 1.162 33.053 31.823 0.114 0.000 1.003 244 V HN 0.687 8.829 8.190 -0.080 0.000 0.459 245 A N 3.119 126.276 122.820 0.562 0.000 2.235 245 A HA -0.014 nan 4.320 nan 0.000 0.208 245 A C -1.766 176.131 177.584 0.522 0.000 1.172 245 A CA 1.304 53.700 52.037 0.597 0.000 0.786 245 A CB 0.664 19.915 19.000 0.418 0.000 0.804 245 A HN 0.489 8.908 8.150 0.448 0.000 0.479 246 N N -6.322 112.652 118.700 0.458 0.000 3.521 246 N HA -0.083 nan 4.740 nan 0.000 0.228 246 N C -0.777 174.913 175.510 0.300 0.000 1.328 246 N CA -0.554 52.714 53.050 0.362 0.000 0.907 246 N CB 1.209 39.876 38.487 0.299 0.000 1.487 246 N HN -0.868 7.682 8.380 0.408 0.075 0.503 247 D N 0.490 121.046 120.400 0.261 0.000 2.224 247 D HA -0.199 nan 4.640 nan 0.000 0.205 247 D C 1.428 177.930 176.300 0.336 0.000 0.965 247 D CA 3.404 57.574 54.000 0.283 0.000 0.852 247 D CB -0.107 40.831 40.800 0.229 0.000 0.947 247 D HN 0.179 8.692 8.370 0.239 0.000 0.494 248 Q N -0.430 119.526 119.800 0.259 0.000 2.084 248 Q HA -0.253 nan 4.340 nan 0.000 0.202 248 Q C 2.352 178.458 176.000 0.176 0.000 0.978 248 Q CA 3.254 59.180 55.803 0.205 0.000 0.844 248 Q CB -0.109 28.656 28.738 0.044 0.000 0.898 248 Q HN 0.044 8.421 8.270 0.216 0.022 0.426 249 M N -1.885 117.832 119.600 0.195 0.000 2.319 249 M HA -0.267 nan 4.480 nan 0.000 0.265 249 M C 1.818 178.205 176.300 0.145 0.000 1.068 249 M CA 3.060 58.459 55.300 0.164 0.000 1.118 249 M CB -0.061 32.649 32.600 0.182 0.000 1.395 249 M HN 0.012 8.789 8.290 0.233 -0.348 0.435 250 A N 0.602 123.529 122.820 0.179 0.000 1.940 250 A HA -0.270 nan 4.320 nan 0.000 0.219 250 A C 1.684 179.328 177.584 0.101 0.000 1.176 250 A CA 3.051 55.181 52.037 0.155 0.000 0.631 250 A CB -1.018 18.107 19.000 0.208 0.000 0.814 250 A HN -0.319 7.841 8.150 0.220 0.121 0.446 251 L N -1.510 119.751 121.223 0.063 0.000 1.989 251 L HA -0.348 nan 4.340 nan 0.000 0.211 251 L C 2.053 178.887 176.870 -0.060 0.000 1.071 251 L CA 2.842 57.590 54.840 -0.154 0.000 0.749 251 L CB -0.586 41.278 42.059 -0.325 0.000 0.890 251 L HN -0.195 8.030 8.230 0.150 0.095 0.431 252 G N -2.759 106.060 108.800 0.032 0.000 2.418 252 G HA2 -0.426 nan 3.960 nan 0.000 0.217 252 G HA3 -0.426 nan 3.960 nan 0.000 0.217 252 G C 0.615 175.624 174.900 0.181 0.000 1.158 252 G CA 1.875 47.054 45.100 0.131 0.000 0.771 252 G HN -0.576 7.744 8.290 0.051 0.000 0.545 253 A N 2.294 125.179 122.820 0.109 0.000 1.883 253 A HA -0.334 nan 4.320 nan 0.000 0.217 253 A C 2.076 179.701 177.584 0.068 0.000 1.186 253 A CA 3.103 55.184 52.037 0.074 0.000 0.624 253 A CB -0.741 18.286 19.000 0.045 0.000 0.822 253 A HN -0.149 8.057 8.150 0.094 0.000 0.444 254 M N -1.954 117.676 119.600 0.049 0.000 2.117 254 M HA -0.438 nan 4.480 nan 0.000 0.262 254 M C 2.508 178.834 176.300 0.044 0.000 1.065 254 M CA 3.850 59.169 55.300 0.032 0.000 1.114 254 M CB -0.095 32.509 32.600 0.007 0.000 1.361 254 M HN 0.014 8.330 8.290 0.043 0.000 0.408 255 R N -0.200 120.330 120.500 0.050 0.000 2.096 255 R HA -0.290 nan 4.340 nan 0.000 0.235 255 R C 1.936 178.358 176.300 0.203 0.000 1.127 255 R CA 2.636 58.770 56.100 0.056 0.000 0.968 255 R CB -0.905 29.372 30.300 -0.039 0.000 0.861 255 R HN 0.039 8.262 8.270 0.034 0.067 0.440 256 A N -0.447 122.564 122.820 0.319 0.000 1.872 256 A HA -0.153 nan 4.320 nan 0.000 0.214 256 A C 2.071 179.726 177.584 0.119 0.000 1.187 256 A CA 2.807 55.018 52.037 0.289 0.000 0.614 256 A CB -0.722 18.316 19.000 0.063 0.000 0.826 256 A HN 0.192 8.279 8.150 0.264 0.221 0.442 257 I N -2.013 118.601 120.570 0.073 0.000 2.099 257 I HA -0.632 nan 4.170 nan 0.000 0.239 257 I C 2.520 178.662 176.117 0.042 0.000 1.066 257 I CA 4.506 65.828 61.300 0.036 0.000 1.324 257 I CB -0.224 37.790 38.000 0.023 0.000 1.037 257 I HN 0.180 8.438 8.210 0.080 0.000 0.401 258 T N -0.916 113.667 114.554 0.047 0.000 2.607 258 T HA -0.457 nan 4.350 nan 0.000 0.267 258 T C 1.768 176.496 174.700 0.047 0.000 1.049 258 T CA 3.907 66.030 62.100 0.037 0.000 1.162 258 T CB -1.030 67.855 68.868 0.027 0.000 0.863 258 T HN 0.092 8.363 8.240 0.051 0.000 0.424 259 E N 2.445 122.692 120.200 0.078 0.000 2.352 259 E HA -0.255 nan 4.350 nan 0.000 0.203 259 E C 0.986 177.629 176.600 0.072 0.000 1.024 259 E CA 2.028 58.487 56.400 0.099 0.000 0.842 259 E CB -0.273 29.557 29.700 0.217 0.000 0.753 259 E HN -0.235 8.182 8.360 0.095 0.000 0.508 260 S N -2.374 113.357 115.700 0.052 0.000 2.526 260 S HA 0.170 nan 4.470 nan 0.000 0.245 260 S C -0.164 174.449 174.600 0.021 0.000 1.103 260 S CA -1.144 57.073 58.200 0.028 0.000 1.095 260 S CB 0.226 63.434 63.200 0.014 0.000 0.826 260 S HN -0.418 7.713 8.310 0.053 0.210 0.468 261 G N 1.381 110.195 108.800 0.023 0.000 2.395 261 G HA2 -0.306 nan 3.960 nan 0.000 0.300 261 G HA3 -0.306 nan 3.960 nan 0.000 0.300 261 G C -0.729 174.179 174.900 0.014 0.000 0.998 261 G CA 1.122 46.232 45.100 0.017 0.000 1.046 261 G HN 0.019 8.242 8.290 0.029 0.085 0.513 262 L N -1.667 119.565 121.223 0.016 0.000 2.370 262 L HA 0.256 nan 4.340 nan 0.000 0.266 262 L C -1.307 175.573 176.870 0.016 0.000 1.002 262 L CA -1.924 52.924 54.840 0.014 0.000 0.818 262 L CB 3.355 45.420 42.059 0.011 0.000 1.325 262 L HN -0.895 7.350 8.230 0.021 -0.003 0.418 263 R N 1.778 122.287 120.500 0.015 0.000 2.294 263 R HA 0.240 nan 4.340 nan 0.000 0.319 263 R C -1.000 175.311 176.300 0.018 0.000 0.984 263 R CA -1.054 55.056 56.100 0.017 0.000 0.861 263 R CB 1.045 31.355 30.300 0.016 0.000 1.104 263 R HN 0.054 8.628 8.270 0.014 -0.296 0.451 264 V N 4.071 123.997 119.914 0.020 0.000 2.655 264 V HA -0.138 nan 4.120 nan 0.000 0.300 264 V C 1.580 177.690 176.094 0.026 0.000 1.044 264 V CA 2.051 64.364 62.300 0.021 0.000 1.095 264 V CB -0.634 31.205 31.823 0.027 0.000 0.952 264 V HN 0.654 8.856 8.190 0.020 0.000 0.485 265 G N 7.796 116.612 108.800 0.026 0.000 3.444 265 G HA2 -0.464 nan 3.960 nan 0.000 0.222 265 G HA3 -0.464 nan 3.960 nan 0.000 0.222 265 G C -0.104 174.824 174.900 0.047 0.000 1.358 265 G CA 1.334 46.457 45.100 0.039 0.000 0.880 265 G HN 0.953 9.139 8.290 0.016 0.114 0.555 266 A N 2.508 125.348 122.820 0.034 0.000 1.835 266 A HA -0.181 nan 4.320 nan 0.000 0.215 266 A C 0.524 178.128 177.584 0.034 0.000 1.199 266 A CA 2.828 54.883 52.037 0.029 0.000 0.615 266 A CB -0.118 18.895 19.000 0.020 0.000 0.838 266 A HN -0.265 7.815 8.150 0.030 0.088 0.444 267 D N -2.921 117.496 120.400 0.029 0.000 2.255 267 D HA 0.101 nan 4.640 nan 0.000 0.224 267 D C 0.351 176.669 176.300 0.031 0.000 0.997 267 D CA 1.682 55.698 54.000 0.027 0.000 0.906 267 D CB 1.443 42.253 40.800 0.017 0.000 1.047 267 D HN -0.199 8.077 8.370 0.024 0.109 0.458 268 I N 0.940 121.518 120.570 0.013 0.000 2.355 268 I HA 0.069 nan 4.170 nan 0.000 0.288 268 I C -0.775 175.323 176.117 -0.030 0.000 0.999 268 I CA -0.958 60.334 61.300 -0.014 0.000 1.163 268 I CB 0.988 38.976 38.000 -0.021 0.000 1.316 268 I HN -0.053 8.165 8.210 0.013 0.000 0.454 269 S N 8.177 123.825 115.700 -0.086 0.000 2.584 269 S HA 0.512 nan 4.470 nan 0.000 0.273 269 S C -1.514 173.012 174.600 -0.124 0.000 1.311 269 S CA 0.367 58.503 58.200 -0.107 0.000 1.034 269 S CB 0.652 63.728 63.200 -0.206 0.000 0.939 269 S HN 0.369 8.606 8.310 -0.122 0.000 0.513 270 V N 2.895 122.772 119.914 -0.061 0.000 2.709 270 V HA 0.559 nan 4.120 nan 0.000 0.308 270 V C -1.462 174.625 176.094 -0.011 0.000 1.062 270 V CA -0.455 61.819 62.300 -0.042 0.000 0.901 270 V CB 3.220 35.046 31.823 0.005 0.000 1.003 270 V HN 0.379 8.554 8.190 -0.025 0.000 0.425 271 V N 5.946 125.846 119.914 -0.024 0.000 2.409 271 V HA 0.542 nan 4.120 nan 0.000 0.290 271 V C -0.900 175.225 176.094 0.051 0.000 1.017 271 V CA -1.369 60.938 62.300 0.012 0.000 0.841 271 V CB 2.360 34.179 31.823 -0.007 0.000 1.003 271 V HN 0.234 8.385 8.190 -0.065 0.000 0.426 272 G N 6.060 114.914 108.800 0.091 0.000 2.537 272 G HA2 0.412 nan 3.960 nan 0.000 0.297 272 G HA3 0.412 nan 3.960 nan 0.000 0.297 272 G C -2.883 172.145 174.900 0.214 0.000 1.310 272 G CA -1.708 43.495 45.100 0.172 0.000 1.027 272 G HN -0.160 8.172 8.290 0.070 0.000 0.505 273 Y N -1.565 118.819 120.300 0.141 0.000 2.354 273 Y HA 0.287 nan 4.550 nan 0.000 0.330 273 Y C -1.913 174.025 175.900 0.063 0.000 1.011 273 Y CA -0.950 57.217 58.100 0.113 0.000 1.099 273 Y CB 2.595 41.178 38.460 0.204 0.000 1.179 273 Y HN -0.484 7.988 8.280 0.364 0.026 0.442 274 D N 5.559 126.076 120.400 0.195 0.000 1.875 274 D HA -0.194 nan 4.640 nan 0.000 0.263 274 D C -1.408 174.851 176.300 -0.068 0.000 0.443 274 D CA 1.397 55.457 54.000 0.101 0.000 1.294 274 D CB 0.970 41.928 40.800 0.263 0.000 1.423 274 D HN 0.846 9.094 8.370 -0.029 0.104 0.792 275 D N -0.603 119.804 120.400 0.011 0.000 2.862 275 D HA -0.295 nan 4.640 nan 0.000 0.243 275 D C -1.090 175.233 176.300 0.037 0.000 1.049 275 D CA 0.885 54.865 54.000 -0.033 0.000 0.789 275 D CB -0.434 40.303 40.800 -0.106 0.000 1.055 275 D HN 0.086 8.745 8.370 0.067 -0.249 0.433 276 T N -4.934 109.675 114.554 0.090 0.000 2.802 276 T HA 0.060 nan 4.350 nan 0.000 0.305 276 T C 1.608 176.293 174.700 -0.025 0.000 1.053 276 T CA -1.256 60.908 62.100 0.107 0.000 1.058 276 T CB 1.079 70.039 68.868 0.154 0.000 0.988 276 T HN -0.745 7.739 8.240 0.088 -0.190 0.539 277 E N 0.939 121.122 120.200 -0.030 0.000 2.169 277 E HA -0.494 nan 4.350 nan 0.000 0.202 277 E C 1.323 177.840 176.600 -0.138 0.000 1.016 277 E CA 4.135 60.491 56.400 -0.074 0.000 0.817 277 E CB -0.485 29.172 29.700 -0.071 0.000 0.736 277 E HN 0.582 8.944 8.360 0.003 0.000 0.462 278 D N -3.401 116.876 120.400 -0.204 0.000 2.234 278 D HA -0.038 nan 4.640 nan 0.000 0.205 278 D C 1.305 177.176 176.300 -0.715 0.000 0.962 278 D CA 1.484 55.301 54.000 -0.304 0.000 0.855 278 D CB -0.629 40.103 40.800 -0.114 0.000 0.951 278 D HN 0.228 8.463 8.370 -0.179 0.028 0.500 279 S N -0.946 114.244 115.700 -0.850 0.000 2.381 279 S HA -0.254 nan 4.470 nan 0.000 0.230 279 S C 0.126 174.468 174.600 -0.430 0.000 1.052 279 S CA 2.592 60.246 58.200 -0.910 0.000 1.068 279 S CB 0.439 63.392 63.200 -0.411 0.000 0.918 279 S HN -0.365 7.620 8.310 -0.541 0.000 0.448 280 S N 0.506 116.063 115.700 -0.239 0.000 2.533 280 S HA -0.120 nan 4.470 nan 0.000 0.282 280 S C 0.056 174.605 174.600 -0.086 0.000 1.304 280 S CA 1.405 59.538 58.200 -0.112 0.000 1.063 280 S CB 0.497 63.648 63.200 -0.081 0.000 0.881 280 S HN -0.286 7.876 8.310 -0.240 0.004 0.493 281 C N -0.880 118.414 119.300 -0.010 0.000 4.584 281 C HA -0.196 nan 4.460 nan 0.000 0.288 281 C C -1.549 173.537 174.990 0.160 0.000 1.284 281 C CA 0.228 59.274 59.018 0.046 0.000 2.038 281 C CB -2.599 25.156 27.740 0.025 0.000 1.246 281 C HN 0.447 8.678 8.230 0.002 0.000 0.765 282 Y N 0.022 120.332 120.300 0.016 0.000 2.593 282 Y HA 0.283 nan 4.550 nan 0.000 0.330 282 Y C -0.563 175.348 175.900 0.018 0.000 1.223 282 Y CA -2.535 55.578 58.100 0.021 0.000 1.350 282 Y CB 2.176 40.655 38.460 0.031 0.000 1.499 282 Y HN -0.492 7.889 8.280 0.167 0.000 0.554 283 I N -1.400 119.257 120.570 0.145 0.000 2.493 283 I HA 0.396 nan 4.170 nan 0.000 0.279 283 I C -2.166 173.981 176.117 0.050 0.000 1.045 283 I CA -3.340 58.004 61.300 0.074 0.000 1.106 283 I CB 0.812 38.834 38.000 0.037 0.000 1.216 283 I HN 0.041 8.300 8.210 0.081 0.000 0.459 284 P HA 0.230 nan 4.420 nan 0.000 0.277 284 P C -2.376 174.987 177.300 0.104 0.000 1.276 284 P CA -1.319 61.822 63.100 0.069 0.000 0.788 284 P CB -0.630 31.102 31.700 0.052 0.000 1.114 285 P HA -0.063 nan 4.420 nan 0.000 0.269 285 P C -1.262 176.091 177.300 0.088 0.000 1.215 285 P CA -0.485 62.667 63.100 0.087 0.000 0.780 285 P CB 0.683 32.408 31.700 0.043 0.000 0.898 286 L N 1.821 123.094 121.223 0.085 0.000 2.265 286 L HA 0.346 nan 4.340 nan 0.000 0.288 286 L C -0.826 176.061 176.870 0.029 0.000 1.058 286 L CA -0.987 53.903 54.840 0.083 0.000 0.809 286 L CB 2.074 44.212 42.059 0.133 0.000 1.179 286 L HN -0.271 7.994 8.230 0.057 0.000 0.429 287 T N 8.287 122.863 114.554 0.036 0.000 2.761 287 T HA 0.387 nan 4.350 nan 0.000 0.296 287 T C -1.634 173.059 174.700 -0.010 0.000 0.934 287 T CA -0.837 61.265 62.100 0.003 0.000 1.091 287 T CB 0.626 69.516 68.868 0.037 0.000 0.896 287 T HN 0.640 8.914 8.240 0.058 0.000 0.515 288 T N 7.266 121.784 114.554 -0.060 0.000 2.843 288 T HA 0.627 nan 4.350 nan 0.000 0.302 288 T C -1.564 173.036 174.700 -0.167 0.000 1.232 288 T CA -1.248 60.806 62.100 -0.076 0.000 1.009 288 T CB 3.006 71.851 68.868 -0.039 0.000 1.254 288 T HN 0.186 8.376 8.240 -0.084 0.000 0.504 289 I N 3.855 124.268 120.570 -0.263 0.000 2.436 289 I HA 0.282 nan 4.170 nan 0.000 0.289 289 I C -0.872 175.017 176.117 -0.381 0.000 1.083 289 I CA -1.300 59.739 61.300 -0.436 0.000 1.372 289 I CB -1.001 36.422 38.000 -0.961 0.000 1.408 289 I HN 0.200 8.274 8.210 -0.227 0.000 0.516 290 K N 8.569 128.784 120.400 -0.309 0.000 2.349 290 K HA 0.057 nan 4.320 nan 0.000 0.288 290 K C -1.168 175.172 176.600 -0.434 0.000 1.058 290 K CA -0.636 55.470 56.287 -0.301 0.000 0.953 290 K CB 0.102 32.477 32.500 -0.209 0.000 0.997 290 K HN 0.667 8.639 8.250 -0.273 0.114 0.477 291 Q N 6.125 125.527 119.800 -0.663 0.000 2.363 291 Q HA 0.159 nan 4.340 nan 0.000 0.265 291 Q C -1.784 173.576 176.000 -1.067 0.000 1.032 291 Q CA -1.402 53.630 55.803 -1.286 0.000 0.746 291 Q CB 2.408 30.142 28.738 -1.672 0.000 1.237 291 Q HN 0.481 8.311 8.270 -0.585 0.089 0.475 292 D N 4.686 124.873 120.400 -0.356 0.000 2.383 292 D HA -0.051 nan 4.640 nan 0.000 0.245 292 D C 0.155 176.496 176.300 0.069 0.000 1.263 292 D CA -0.747 53.190 54.000 -0.105 0.000 0.936 292 D CB -0.205 40.624 40.800 0.048 0.000 1.053 292 D HN 0.411 8.742 8.370 -0.065 0.000 0.507 293 F N 5.518 125.582 119.950 0.190 0.000 2.407 293 F HA -0.166 nan 4.527 nan 0.000 0.299 293 F C 1.603 177.465 175.800 0.103 0.000 1.097 293 F CA 2.168 60.273 58.000 0.175 0.000 1.422 293 F CB -0.200 38.862 39.000 0.103 0.000 1.067 293 F HN -0.276 7.890 8.300 -0.224 0.000 0.539 294 R N -0.439 120.187 120.500 0.210 0.000 2.148 294 R HA -0.226 nan 4.340 nan 0.000 0.223 294 R C 1.889 178.245 176.300 0.093 0.000 1.088 294 R CA 3.098 59.272 56.100 0.125 0.000 0.985 294 R CB -0.233 30.116 30.300 0.081 0.000 0.880 294 R HN -0.406 8.101 8.270 0.179 -0.129 0.451 295 L N -0.123 121.158 121.223 0.096 0.000 2.049 295 L HA -0.165 nan 4.340 nan 0.000 0.203 295 L C 1.201 178.090 176.870 0.032 0.000 1.074 295 L CA 2.376 57.246 54.840 0.050 0.000 0.749 295 L CB -0.059 42.026 42.059 0.043 0.000 0.907 295 L HN -0.761 7.555 8.230 0.122 -0.013 0.439 296 L N -1.607 119.655 121.223 0.065 0.000 1.978 296 L HA -0.500 nan 4.340 nan 0.000 0.218 296 L C 2.184 179.081 176.870 0.045 0.000 1.075 296 L CA 3.418 58.275 54.840 0.028 0.000 0.767 296 L CB -0.476 41.690 42.059 0.178 0.000 0.890 296 L HN -0.228 8.089 8.230 0.145 0.000 0.434 297 G N -3.675 105.176 108.800 0.086 0.000 2.491 297 G HA2 -0.487 nan 3.960 nan 0.000 0.218 297 G HA3 -0.487 nan 3.960 nan 0.000 0.218 297 G C 0.534 175.450 174.900 0.028 0.000 1.180 297 G CA 2.214 47.347 45.100 0.055 0.000 0.774 297 G HN -0.069 8.303 8.290 0.137 0.000 0.562 298 Q N 1.109 120.925 119.800 0.026 0.000 2.124 298 Q HA -0.313 nan 4.340 nan 0.000 0.202 298 Q C 2.476 178.477 176.000 0.002 0.000 0.977 298 Q CA 3.049 58.860 55.803 0.013 0.000 0.850 298 Q CB -0.649 28.097 28.738 0.013 0.000 0.901 298 Q HN -0.500 7.793 8.270 0.038 0.000 0.429 299 T N 2.705 117.255 114.554 -0.007 0.000 2.777 299 T HA -0.289 nan 4.350 nan 0.000 0.266 299 T C 2.474 177.166 174.700 -0.014 0.000 1.040 299 T CA 4.584 66.673 62.100 -0.019 0.000 1.141 299 T CB -0.889 67.953 68.868 -0.044 0.000 0.868 299 T HN 0.279 8.516 8.240 -0.005 0.000 0.444 300 S N 2.354 118.048 115.700 -0.009 0.000 2.345 300 S HA -0.248 nan 4.470 nan 0.000 0.220 300 S C 1.821 176.417 174.600 -0.007 0.000 1.031 300 S CA 4.104 62.300 58.200 -0.006 0.000 0.996 300 S CB -0.456 62.742 63.200 -0.002 0.000 0.882 300 S HN -0.100 8.206 8.310 -0.006 0.000 0.445 301 V N 2.641 122.552 119.914 -0.004 0.000 2.261 301 V HA -0.483 nan 4.120 nan 0.000 0.246 301 V C 1.688 177.779 176.094 -0.005 0.000 1.047 301 V CA 4.705 67.002 62.300 -0.005 0.000 1.015 301 V CB -1.106 30.715 31.823 -0.002 0.000 0.642 301 V HN 0.112 8.302 8.190 0.000 0.000 0.446 302 D N -0.676 119.721 120.400 -0.004 0.000 2.106 302 D HA -0.322 nan 4.640 nan 0.000 0.191 302 D C 2.350 178.648 176.300 -0.004 0.000 0.997 302 D CA 4.125 58.123 54.000 -0.004 0.000 0.834 302 D CB -0.432 40.366 40.800 -0.004 0.000 0.956 302 D HN -0.177 8.192 8.370 -0.003 0.000 0.448 303 R N -0.109 120.389 120.500 -0.004 0.000 2.115 303 R HA -0.181 nan 4.340 nan 0.000 0.230 303 R C 2.479 178.779 176.300 -0.000 0.000 1.111 303 R CA 2.818 58.917 56.100 -0.001 0.000 0.976 303 R CB 0.107 30.407 30.300 -0.001 0.000 0.870 303 R HN -0.104 8.056 8.270 -0.005 0.107 0.445 304 L N 0.742 121.963 121.223 -0.004 0.000 2.027 304 L HA -0.266 nan 4.340 nan 0.000 0.206 304 L C 1.709 178.576 176.870 -0.006 0.000 1.074 304 L CA 3.200 58.036 54.840 -0.007 0.000 0.745 304 L CB -0.425 41.625 42.059 -0.015 0.000 0.898 304 L HN 0.343 8.355 8.230 -0.005 0.214 0.433 305 L N -2.028 119.191 121.223 -0.006 0.000 1.970 305 L HA -0.605 nan 4.340 nan 0.000 0.212 305 L C 2.276 179.144 176.870 -0.003 0.000 1.071 305 L CA 3.429 58.266 54.840 -0.005 0.000 0.751 305 L CB -0.587 41.469 42.059 -0.005 0.000 0.889 305 L HN 0.347 8.466 8.230 -0.006 0.107 0.432 306 Q N -1.917 117.882 119.800 -0.001 0.000 2.045 306 Q HA -0.429 nan 4.340 nan 0.000 0.206 306 Q C 2.800 178.801 176.000 0.002 0.000 0.991 306 Q CA 3.014 58.817 55.803 0.000 0.000 0.851 306 Q CB -0.131 28.608 28.738 0.001 0.000 0.911 306 Q HN -0.174 8.095 8.270 -0.002 0.000 0.418 307 L N -0.836 120.389 121.223 0.004 0.000 2.129 307 L HA -0.251 nan 4.340 nan 0.000 0.212 307 L C 1.559 178.432 176.870 0.006 0.000 1.087 307 L CA 2.662 57.507 54.840 0.007 0.000 0.757 307 L CB -0.149 41.917 42.059 0.011 0.000 0.896 307 L HN 0.208 8.319 8.230 0.003 0.121 0.434 308 S N -1.953 113.748 115.700 0.001 0.000 2.503 308 S HA -0.152 nan 4.470 nan 0.000 0.217 308 S C 1.320 175.920 174.600 -0.000 0.000 0.999 308 S CA 1.675 59.875 58.200 -0.000 0.000 0.914 308 S CB 0.366 63.564 63.200 -0.004 0.000 0.782 308 S HN -0.147 8.043 8.310 -0.000 0.120 0.520 309 Q N 0.732 120.532 119.800 -0.000 0.000 2.482 309 Q HA -0.049 nan 4.340 nan 0.000 0.209 309 Q C 0.731 176.732 176.000 0.001 0.000 0.961 309 Q CA 0.686 56.488 55.803 -0.000 0.000 0.945 309 Q CB 0.549 29.286 28.738 -0.001 0.000 1.012 309 Q HN 0.069 8.069 8.270 0.000 0.270 0.515 310 G N -2.176 106.625 108.800 0.002 0.000 2.259 310 G HA2 -0.400 nan 3.960 nan 0.000 0.217 310 G HA3 -0.400 nan 3.960 nan 0.000 0.217 310 G C 0.040 174.943 174.900 0.005 0.000 1.001 310 G CA -0.316 44.786 45.100 0.004 0.000 0.627 310 G HN -0.404 7.702 8.290 0.003 0.186 0.501 311 Q N 1.747 121.549 119.800 0.004 0.000 2.326 311 Q HA -0.192 nan 4.340 nan 0.000 0.314 311 Q C -0.005 175.999 176.000 0.006 0.000 1.091 311 Q CA 0.543 56.349 55.803 0.004 0.000 0.974 311 Q CB 0.658 29.398 28.738 0.003 0.000 1.220 311 Q HN -0.398 7.792 8.270 0.003 0.082 0.398 312 A N 5.091 127.915 122.820 0.006 0.000 2.666 312 A HA 0.031 nan 4.320 nan 0.000 0.312 312 A C -0.458 177.131 177.584 0.008 0.000 1.471 312 A CA -0.106 51.935 52.037 0.007 0.000 1.134 312 A CB -1.123 17.880 19.000 0.006 0.000 1.129 312 A HN 0.346 8.498 8.150 0.005 0.000 0.539 313 V N -2.557 117.363 119.914 0.010 0.000 2.788 313 V HA -0.001 nan 4.120 nan 0.000 0.241 313 V C 0.790 176.893 176.094 0.014 0.000 1.083 313 V CA -0.209 62.097 62.300 0.011 0.000 1.103 313 V CB 0.308 32.138 31.823 0.011 0.000 0.800 313 V HN -0.063 8.134 8.190 0.012 0.000 0.476 314 K N -0.648 119.763 120.400 0.019 0.000 2.844 314 K HA -0.453 nan 4.320 nan 0.000 0.177 314 K C 1.066 177.681 176.600 0.025 0.000 0.804 314 K CA 1.578 57.878 56.287 0.022 0.000 0.458 314 K CB -1.707 30.802 32.500 0.015 0.000 0.759 314 K HN 0.036 8.298 8.250 0.020 0.000 0.761 315 G N 0.393 109.203 108.800 0.018 0.000 2.467 315 G HA2 -0.177 nan 3.960 nan 0.000 0.243 315 G HA3 -0.177 nan 3.960 nan 0.000 0.243 315 G C -0.927 173.984 174.900 0.020 0.000 1.521 315 G CA -0.706 44.404 45.100 0.016 0.000 1.055 315 G HN 0.104 8.402 8.290 0.013 0.000 0.553 316 N N -0.313 118.395 118.700 0.014 0.000 2.508 316 N HA -0.067 nan 4.740 nan 0.000 0.264 316 N C -1.032 174.483 175.510 0.009 0.000 1.216 316 N CA 0.726 53.786 53.050 0.016 0.000 0.943 316 N CB 0.576 39.074 38.487 0.017 0.000 1.113 316 N HN 0.145 8.531 8.380 0.010 0.000 0.447 317 Q N 3.801 123.602 119.800 0.002 0.000 2.337 317 Q HA 0.173 nan 4.340 nan 0.000 0.260 317 Q C -1.719 174.260 176.000 -0.034 0.000 0.982 317 Q CA -0.989 54.803 55.803 -0.018 0.000 0.734 317 Q CB 2.723 31.443 28.738 -0.030 0.000 1.272 317 Q HN 0.281 8.555 8.270 0.007 0.000 0.461 318 L N 4.581 125.794 121.223 -0.018 0.000 2.313 318 L HA 0.272 nan 4.340 nan 0.000 0.282 318 L C -0.799 176.046 176.870 -0.041 0.000 1.092 318 L CA 0.264 55.100 54.840 -0.007 0.000 0.831 318 L CB 0.065 42.135 42.059 0.020 0.000 1.159 318 L HN 0.326 8.551 8.230 -0.008 0.000 0.442 319 L N 6.151 127.319 121.223 -0.092 0.000 2.322 319 L HA 0.414 nan 4.340 nan 0.000 0.279 319 L C -1.312 175.625 176.870 0.112 0.000 1.036 319 L CA -2.797 51.967 54.840 -0.127 0.000 0.807 319 L CB 0.592 42.292 42.059 -0.598 0.000 1.226 319 L HN 0.651 8.719 8.230 -0.086 0.111 0.433 320 P HA -0.381 nan 4.420 nan 0.000 0.211 320 P C -1.231 176.147 177.300 0.130 0.000 0.906 320 P CA 2.004 65.170 63.100 0.111 0.000 1.017 320 P CB 0.115 31.858 31.700 0.070 0.000 0.717 321 V N -3.383 116.600 119.914 0.115 0.000 3.345 321 V HA -0.260 nan 4.120 nan 0.000 0.481 321 V C -1.596 174.450 176.094 -0.081 0.000 0.682 321 V CA -0.100 62.182 62.300 -0.031 0.000 2.024 321 V CB -0.520 31.299 31.823 -0.006 0.000 2.475 321 V HN -0.366 7.910 8.190 0.142 0.000 0.501 322 S N 3.931 119.547 115.700 -0.140 0.000 2.806 322 S HA 0.417 nan 4.470 nan 0.000 0.306 322 S C -2.492 171.998 174.600 -0.184 0.000 1.167 322 S CA -1.514 56.605 58.200 -0.135 0.000 0.847 322 S CB 3.392 66.529 63.200 -0.105 0.000 1.216 322 S HN -0.051 8.149 8.310 -0.183 0.000 0.532 323 L N 0.541 121.660 121.223 -0.173 0.000 2.325 323 L HA 0.494 nan 4.340 nan 0.000 0.281 323 L C -1.484 175.277 176.870 -0.183 0.000 1.004 323 L CA -1.042 53.675 54.840 -0.205 0.000 0.823 323 L CB 2.120 44.035 42.059 -0.241 0.000 1.236 323 L HN 0.130 8.271 8.230 -0.148 0.000 0.415 324 V N 8.864 128.677 119.914 -0.167 0.000 2.320 324 V HA 0.128 nan 4.120 nan 0.000 0.265 324 V C -0.904 175.118 176.094 -0.121 0.000 1.048 324 V CA -1.205 61.018 62.300 -0.128 0.000 0.865 324 V CB -0.657 31.101 31.823 -0.108 0.000 1.043 324 V HN 1.167 9.140 8.190 -0.176 0.112 0.474 325 K N 8.877 129.206 120.400 -0.119 0.000 2.349 325 K HA 0.182 nan 4.320 nan 0.000 0.288 325 K C -0.717 175.865 176.600 -0.031 0.000 1.058 325 K CA 0.583 56.817 56.287 -0.088 0.000 0.953 325 K CB 0.189 32.638 32.500 -0.086 0.000 0.997 325 K HN 0.228 8.408 8.250 -0.117 0.000 0.477 326 R N 2.976 123.475 120.500 -0.001 0.000 3.416 326 R HA 0.209 nan 4.340 nan 0.000 0.236 326 R C -0.650 175.672 176.300 0.037 0.000 1.576 326 R CA -1.231 54.876 56.100 0.012 0.000 1.011 326 R CB 2.318 32.622 30.300 0.006 0.000 1.670 326 R HN 0.003 8.281 8.270 0.013 0.000 0.519 327 K N 0.030 120.454 120.400 0.041 0.000 2.577 327 K HA 0.145 nan 4.320 nan 0.000 0.210 327 K C -0.376 176.256 176.600 0.054 0.000 1.048 327 K CA 0.202 56.516 56.287 0.046 0.000 1.188 327 K CB 0.231 32.754 32.500 0.039 0.000 0.910 327 K HN -0.140 8.133 8.250 0.038 0.000 0.483 328 T N -6.543 108.049 114.554 0.062 0.000 3.293 328 T HA 0.237 nan 4.350 nan 0.000 0.276 328 T C -1.297 173.437 174.700 0.057 0.000 1.003 328 T CA -1.804 60.331 62.100 0.059 0.000 0.916 328 T CB -0.613 68.295 68.868 0.066 0.000 1.134 328 T HN -0.204 8.021 8.240 0.066 0.055 0.530 329 T N 3.081 117.677 114.554 0.070 0.000 3.295 329 T HA 0.515 nan 4.350 nan 0.000 0.331 329 T C -1.683 173.059 174.700 0.069 0.000 1.142 329 T CA 0.707 62.851 62.100 0.074 0.000 1.078 329 T CB 1.650 70.593 68.868 0.124 0.000 1.150 329 T HN -0.317 7.900 8.240 0.070 0.066 0.465 330 L N 3.354 124.624 121.223 0.079 0.000 2.502 330 L HA 0.538 nan 4.340 nan 0.000 0.253 330 L C -1.552 175.325 176.870 0.012 0.000 1.070 330 L CA -1.847 53.016 54.840 0.038 0.000 0.871 330 L CB 4.218 46.295 42.059 0.030 0.000 1.487 330 L HN 0.137 8.446 8.230 0.131 0.000 0.408 331 A N -0.405 122.368 122.820 -0.078 0.000 2.332 331 A HA 0.248 nan 4.320 nan 0.000 0.258 331 A C -1.516 175.952 177.584 -0.192 0.000 1.087 331 A CA -0.864 51.047 52.037 -0.210 0.000 0.802 331 A CB -0.505 18.407 19.000 -0.148 0.000 1.042 331 A HN 0.134 8.253 8.150 -0.051 0.000 0.489 332 P HA -0.054 nan 4.420 nan 0.000 0.213 332 P C -0.559 176.697 177.300 -0.073 0.000 1.170 332 P CA 0.276 63.284 63.100 -0.153 0.000 0.889 332 P CB 0.446 32.029 31.700 -0.195 0.000 0.782 333 N N -1.102 117.550 118.700 -0.079 0.000 1.982 333 N HA -0.314 nan 4.740 nan 0.000 0.354 333 N C -0.492 175.002 175.510 -0.027 0.000 1.170 333 N CA 0.270 53.292 53.050 -0.047 0.000 0.800 333 N CB 0.823 39.284 38.487 -0.044 0.000 1.027 333 N HN 0.072 8.386 8.380 -0.110 0.000 0.549 334 T N 1.928 116.470 114.554 -0.019 0.000 2.897 334 T HA 0.047 nan 4.350 nan 0.000 0.294 334 T C -0.335 174.359 174.700 -0.010 0.000 1.004 334 T CA -0.585 61.509 62.100 -0.010 0.000 1.106 334 T CB 0.815 69.680 68.868 -0.006 0.000 0.949 334 T HN -0.221 8.006 8.240 -0.021 0.000 0.520 335 Q N 1.794 121.590 119.800 -0.007 0.000 2.320 335 Q HA 0.146 nan 4.340 nan 0.000 0.268 335 Q C 0.007 176.005 176.000 -0.003 0.000 1.023 335 Q CA -0.433 55.367 55.803 -0.006 0.000 0.744 335 Q CB 0.860 29.595 28.738 -0.006 0.000 1.246 335 Q HN 0.167 8.434 8.270 -0.005 0.000 0.462 336 T N 3.458 118.010 114.554 -0.003 0.000 2.951 336 T HA -0.003 nan 4.350 nan 0.000 0.268 336 T C 0.022 174.721 174.700 -0.001 0.000 1.073 336 T CA 0.694 62.793 62.100 -0.002 0.000 1.134 336 T CB 0.269 69.136 68.868 -0.002 0.000 0.884 336 T HN 0.329 8.566 8.240 -0.004 0.000 0.479 337 A N 0.165 122.984 122.820 -0.002 0.000 3.112 337 A HA -0.142 nan 4.320 nan 0.000 0.660 337 A C -0.839 176.744 177.584 -0.001 0.000 0.470 337 A CA 0.634 52.671 52.037 -0.001 0.000 0.194 337 A CB -0.696 18.304 19.000 -0.000 0.000 3.812 337 A HN 0.301 8.450 8.150 -0.002 0.000 0.537 338 S N -0.767 114.932 115.700 -0.001 0.000 2.562 338 S HA 0.221 nan 4.470 nan 0.000 0.275 338 S C -0.976 173.624 174.600 -0.000 0.000 1.281 338 S CA -2.635 55.564 58.200 -0.001 0.000 1.045 338 S CB 1.105 64.305 63.200 -0.001 0.000 0.962 338 S HN 0.085 8.395 8.310 -0.001 0.000 0.503 339 P HA -0.206 nan 4.420 nan 0.000 0.217 339 P C 1.673 178.973 177.300 -0.000 0.000 1.148 339 P CA 2.755 65.855 63.100 -0.000 0.000 0.828 339 P CB 0.071 31.771 31.700 -0.000 0.000 0.783 340 R N -2.952 117.548 120.500 -0.000 0.000 2.070 340 R HA -0.227 nan 4.340 nan 0.000 0.232 340 R C 1.904 178.204 176.300 0.000 0.000 1.138 340 R CA 2.807 58.907 56.100 -0.000 0.000 0.936 340 R CB -0.732 29.568 30.300 -0.000 0.000 0.839 340 R HN 0.282 8.539 8.270 -0.000 0.013 0.429 341 A N -0.186 122.634 122.820 -0.000 0.000 1.865 341 A HA -0.230 nan 4.320 nan 0.000 0.217 341 A C 2.643 180.227 177.584 0.000 0.000 1.191 341 A CA 2.985 55.023 52.037 0.000 0.000 0.623 341 A CB -0.815 18.185 19.000 -0.000 0.000 0.826 341 A HN -0.281 7.805 8.150 -0.000 0.063 0.444 342 L N -2.483 118.740 121.223 0.000 0.000 2.017 342 L HA -0.462 nan 4.340 nan 0.000 0.208 342 L C 2.174 179.044 176.870 0.001 0.000 1.073 342 L CA 2.795 57.635 54.840 0.001 0.000 0.745 342 L CB -0.632 41.428 42.059 0.001 0.000 0.894 342 L HN 0.465 8.695 8.230 0.000 0.000 0.432 343 A N -0.704 122.116 122.820 0.001 0.000 1.903 343 A HA -0.510 nan 4.320 nan 0.000 0.219 343 A C 1.972 179.556 177.584 0.001 0.000 1.191 343 A CA 3.429 55.467 52.037 0.001 0.000 0.638 343 A CB -1.215 17.785 19.000 0.000 0.000 0.823 343 A HN -0.046 8.104 8.150 0.000 0.000 0.451 344 D N -1.879 118.521 120.400 0.001 0.000 2.104 344 D HA -0.331 nan 4.640 nan 0.000 0.194 344 D C 2.696 178.997 176.300 0.001 0.000 0.994 344 D CA 3.472 57.473 54.000 0.001 0.000 0.830 344 D CB -0.638 40.163 40.800 0.001 0.000 0.959 344 D HN -0.168 8.206 8.370 0.001 -0.004 0.452 345 S N 0.608 116.309 115.700 0.001 0.000 2.370 345 S HA -0.337 nan 4.470 nan 0.000 0.226 345 S C 2.351 176.952 174.600 0.002 0.000 1.033 345 S CA 3.667 61.868 58.200 0.002 0.000 1.011 345 S CB -0.377 62.824 63.200 0.002 0.000 0.852 345 S HN -0.426 7.809 8.310 0.001 0.076 0.457 346 L N 1.247 122.471 121.223 0.002 0.000 2.017 346 L HA -0.364 nan 4.340 nan 0.000 0.208 346 L C 2.270 179.141 176.870 0.002 0.000 1.073 346 L CA 2.987 57.828 54.840 0.002 0.000 0.745 346 L CB -0.426 41.634 42.059 0.001 0.000 0.894 346 L HN 0.254 8.390 8.230 0.001 0.094 0.432 347 M N -2.086 117.515 119.600 0.001 0.000 2.202 347 M HA -0.474 nan 4.480 nan 0.000 0.262 347 M C 2.452 178.753 176.300 0.001 0.000 1.063 347 M CA 2.555 57.856 55.300 0.001 0.000 1.097 347 M CB -1.344 31.257 32.600 0.001 0.000 1.382 347 M HN -0.101 8.189 8.290 0.001 0.000 0.413 348 Q N -0.534 119.267 119.800 0.001 0.000 1.975 348 Q HA -0.366 nan 4.340 nan 0.000 0.205 348 Q C 2.526 178.527 176.000 0.002 0.000 0.990 348 Q CA 2.970 58.774 55.803 0.002 0.000 0.845 348 Q CB -0.201 28.538 28.738 0.002 0.000 0.913 348 Q HN -0.155 8.010 8.270 0.001 0.106 0.420 349 L N -1.342 119.882 121.223 0.002 0.000 2.043 349 L HA -0.409 nan 4.340 nan 0.000 0.212 349 L C 2.118 178.990 176.870 0.002 0.000 1.075 349 L CA 2.694 57.535 54.840 0.002 0.000 0.752 349 L CB -1.556 40.505 42.059 0.003 0.000 0.891 349 L HN -0.461 7.770 8.230 0.002 0.000 0.432 350 A N -0.993 121.829 122.820 0.002 0.000 1.892 350 A HA -0.406 nan 4.320 nan 0.000 0.218 350 A C 2.374 179.959 177.584 0.002 0.000 1.188 350 A CA 3.383 55.421 52.037 0.002 0.000 0.631 350 A CB -0.861 18.140 19.000 0.002 0.000 0.822 350 A HN 0.503 8.561 8.150 0.002 0.093 0.447 351 R N -2.299 118.201 120.500 0.002 0.000 2.066 351 R HA -0.289 nan 4.340 nan 0.000 0.232 351 R C 2.761 179.062 176.300 0.002 0.000 1.131 351 R CA 1.892 57.993 56.100 0.001 0.000 0.955 351 R CB -0.896 29.405 30.300 0.001 0.000 0.851 351 R HN -0.338 7.848 8.270 0.002 0.085 0.432 352 Q N -0.464 119.337 119.800 0.002 0.000 2.112 352 Q HA -0.327 nan 4.340 nan 0.000 0.206 352 Q C 2.741 178.743 176.000 0.002 0.000 0.987 352 Q CA 3.398 59.202 55.803 0.002 0.000 0.858 352 Q CB -0.055 28.684 28.738 0.002 0.000 0.905 352 Q HN -0.078 8.135 8.270 0.002 0.058 0.420 353 V N -1.466 118.449 119.914 0.002 0.000 2.379 353 V HA -0.292 nan 4.120 nan 0.000 0.245 353 V C 2.280 178.375 176.094 0.002 0.000 1.044 353 V CA 3.443 65.745 62.300 0.002 0.000 1.036 353 V CB -0.656 31.169 31.823 0.002 0.000 0.664 353 V HN 0.400 8.482 8.190 0.002 0.109 0.453 354 S N 0.677 116.378 115.700 0.002 0.000 2.419 354 S HA -0.241 nan 4.470 nan 0.000 0.233 354 S C 1.671 176.272 174.600 0.001 0.000 1.016 354 S CA 2.807 61.008 58.200 0.002 0.000 0.974 354 S CB -0.274 62.927 63.200 0.001 0.000 0.786 354 S HN -0.081 8.158 8.310 0.002 0.073 0.492 355 R N -0.204 120.297 120.500 0.002 0.000 2.092 355 R HA -0.127 nan 4.340 nan 0.000 0.231 355 R C 0.224 176.525 176.300 0.001 0.000 1.119 355 R CA 1.562 57.663 56.100 0.001 0.000 0.970 355 R CB 0.440 30.741 30.300 0.001 0.000 0.864 355 R HN -0.247 7.995 8.270 0.002 0.030 0.440 356 L N 0.000 121.224 121.223 0.002 0.000 2.949 356 L HA 0.000 nan 4.340 nan 0.000 0.249 356 L CA 0.000 54.841 54.840 0.002 0.000 0.813 356 L CB 0.000 42.060 42.059 0.002 0.000 0.961 356 L HN 0.000 8.135 8.230 0.002 0.096 0.502