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 3ikm_1_B DATA FIRST_RESID 67 DATA SEQUENCE EALLEICQRR HFLSGSKQQL SRDSLLSGCH PGFGPLGVEL RKNLAAEWWT DATA SEQUENCE SVVVFREQVF PVDALHHKPG PXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXGKLRENLL HGALEHYVNC LDLVNKRLPY GLAQIGVCFH DATA SEQUENCE PVXXXXXXXX XXKSIGEKTE ASLVWFTPPR TSNQWLDFWL RHRLQWWRKF DATA SEQUENCE AMSPSNFSSS DCQDEEGRKG NKLYYNFPWG KELIETLWNL GDHELLHMYP DATA SEQUENCE GNVSKLHGRD GRKNVVPCVL SVNGDLDRGM LAYLYDSFQX XXXXXXXXXX DATA SEQUENCE XXRKVLKLHP CLAPIKVALD VGRGPTLELR QVCQGLFNEL LENGISVWPG DATA SEQUENCE YLETMQSSLE QLYSKYDEMS ILFTVLVTET TLENGLIHLR SRDTTMKEMM DATA SEQUENCE HISKLKDFLI KYISSAKNV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 E HA 0.000 nan 4.350 nan 0.000 0.291 67 E C 0.000 176.652 176.600 0.087 0.000 1.382 67 E CA 0.000 56.469 56.400 0.115 0.000 0.976 67 E CB 0.000 29.776 29.700 0.126 0.000 0.812 68 A N 1.879 124.774 122.820 0.125 0.000 1.873 68 A HA -0.159 4.161 4.320 0.000 0.000 0.218 68 A C 1.835 179.404 177.584 -0.026 0.000 1.193 68 A CA 2.590 54.697 52.037 0.116 0.000 0.629 68 A CB -1.073 18.092 19.000 0.276 0.000 0.826 68 A HN 0.717 nan 8.150 nan 0.000 0.447 69 L N -2.366 118.800 121.223 -0.095 0.000 2.109 69 L HA 0.046 4.386 4.340 0.000 0.000 0.207 69 L C 2.127 178.913 176.870 -0.139 0.000 1.086 69 L CA 1.358 56.002 54.840 -0.326 0.000 0.760 69 L CB -1.244 40.584 42.059 -0.386 0.000 0.910 69 L HN 0.137 nan 8.230 nan 0.000 0.437 70 L N 0.382 121.588 121.223 -0.028 0.000 2.010 70 L HA -0.287 4.053 4.340 0.000 0.000 0.219 70 L C 2.788 179.656 176.870 -0.003 0.000 1.077 70 L CA 2.100 56.941 54.840 0.002 0.000 0.773 70 L CB -0.894 41.181 42.059 0.026 0.000 0.892 70 L HN 0.459 nan 8.230 nan 0.000 0.436 71 E N -0.819 119.379 120.200 -0.003 0.000 2.077 71 E HA -0.216 4.134 4.350 0.000 0.000 0.193 71 E C 2.212 178.808 176.600 -0.007 0.000 0.989 71 E CA 1.638 58.042 56.400 0.007 0.000 0.800 71 E CB -0.260 29.447 29.700 0.011 0.000 0.746 71 E HN 0.717 nan 8.360 nan 0.000 0.452 72 I N -0.986 119.551 120.570 -0.056 0.000 2.286 72 I HA -0.205 3.965 4.170 0.000 0.000 0.245 72 I C 2.319 178.408 176.117 -0.046 0.000 1.104 72 I CA 0.842 62.100 61.300 -0.070 0.000 1.397 72 I CB -0.733 37.168 38.000 -0.164 0.000 1.072 72 I HN 0.039 nan 8.210 nan 0.000 0.417 73 C N 1.948 121.201 119.300 -0.079 0.000 2.385 73 C HA -0.255 4.205 4.460 0.000 0.000 0.275 73 C C 3.037 178.061 174.990 0.056 0.000 1.199 73 C CA 2.008 60.987 59.018 -0.066 0.000 1.782 73 C CB -1.658 26.039 27.740 -0.071 0.000 2.068 73 C HN 0.753 nan 8.230 nan 0.000 0.471 74 Q N 1.176 121.044 119.800 0.114 0.000 2.083 74 Q HA -0.065 4.275 4.340 0.000 0.000 0.198 74 Q C 0.793 176.949 176.000 0.259 0.000 0.969 74 Q CA 0.714 56.676 55.803 0.265 0.000 0.838 74 Q CB -0.533 28.402 28.738 0.328 0.000 0.900 74 Q HN 0.548 nan 8.270 nan 0.000 0.436 75 R N 2.380 122.966 120.500 0.142 0.000 4.098 75 R HA -0.174 4.166 4.340 0.000 0.000 0.151 75 R C -0.427 175.945 176.300 0.119 0.000 0.451 75 R CA 0.860 57.019 56.100 0.098 0.000 0.858 75 R CB -0.500 29.838 30.300 0.065 0.000 1.051 75 R HN 0.483 nan 8.270 nan 0.000 0.263 76 R N 0.350 120.896 120.500 0.077 0.000 3.531 76 R HA -0.209 4.131 4.340 0.000 0.000 0.280 76 R C -0.449 175.949 176.300 0.162 0.000 1.130 76 R CA 1.071 57.220 56.100 0.081 0.000 0.757 76 R CB -2.831 27.513 30.300 0.073 0.000 1.218 76 R HN 0.992 nan 8.270 nan 0.000 0.454 77 H N -1.173 117.944 119.070 0.078 0.000 2.477 77 H HA -0.234 4.322 4.556 0.000 0.000 0.270 77 H C -0.104 175.310 175.328 0.143 0.000 0.728 77 H CA 0.805 56.911 56.048 0.098 0.000 0.877 77 H CB -0.077 29.724 29.762 0.064 0.000 1.447 77 H HN 0.310 nan 8.280 nan 0.000 0.260 78 F N 6.606 126.626 119.950 0.116 0.000 2.928 78 F HA 0.495 5.022 4.527 0.000 0.000 0.337 78 F C -0.751 175.057 175.800 0.013 0.000 1.259 78 F CA -0.354 57.681 58.000 0.059 0.000 1.267 78 F CB 0.163 39.193 39.000 0.051 0.000 0.986 78 F HN 0.441 nan 8.300 nan 0.000 0.507 79 L N 1.190 122.514 121.223 0.169 0.000 4.834 79 L HA 0.095 4.435 4.340 0.000 0.000 0.241 79 L C -1.102 175.559 176.870 -0.349 0.000 1.063 79 L CA -0.355 54.491 54.840 0.009 0.000 0.963 79 L CB 0.732 42.815 42.059 0.039 0.000 1.648 79 L HN 0.130 nan 8.230 nan 0.000 0.392 80 S N 2.498 118.017 115.700 -0.302 0.000 2.448 80 S HA 0.861 5.331 4.470 0.000 0.000 0.279 80 S C 0.069 174.436 174.600 -0.389 0.000 1.195 80 S CA 0.315 58.293 58.200 -0.370 0.000 1.051 80 S CB 1.271 64.373 63.200 -0.163 0.000 0.948 80 S HN 1.423 nan 8.310 nan 0.000 0.493 81 G N 1.234 109.803 108.800 -0.386 0.000 2.226 81 G HA2 0.316 4.276 3.960 0.000 0.000 0.257 81 G HA3 0.316 4.276 3.960 0.000 0.000 0.257 81 G C -0.544 174.393 174.900 0.062 0.000 1.732 81 G CA -0.458 44.563 45.100 -0.131 0.000 0.914 81 G HN 0.830 nan 8.290 nan 0.000 0.742 82 S N 0.034 115.801 115.700 0.112 0.000 2.602 82 S HA 0.420 4.890 4.470 0.000 0.000 0.257 82 S C 2.037 176.687 174.600 0.084 0.000 1.250 82 S CA 0.666 58.945 58.200 0.131 0.000 0.986 82 S CB 0.519 63.765 63.200 0.076 0.000 1.040 82 S HN 0.624 nan 8.310 nan 0.000 0.562 83 K N 1.062 121.501 120.400 0.064 0.000 1.963 83 K HA -0.121 4.199 4.320 0.000 0.000 0.216 83 K C 2.322 178.937 176.600 0.025 0.000 1.045 83 K CA 2.073 58.386 56.287 0.044 0.000 0.954 83 K CB -0.742 31.780 32.500 0.037 0.000 0.732 83 K HN 0.694 nan 8.250 nan 0.000 0.442 84 Q N 1.091 120.903 119.800 0.020 0.000 2.291 84 Q HA -0.125 4.215 4.340 0.000 0.000 0.205 84 Q C 1.679 177.682 176.000 0.006 0.000 0.970 84 Q CA 1.264 57.074 55.803 0.011 0.000 0.876 84 Q CB -0.247 28.499 28.738 0.013 0.000 0.935 84 Q HN 0.217 nan 8.270 nan 0.000 0.455 85 Q N 0.694 120.500 119.800 0.009 0.000 2.045 85 Q HA -0.059 4.281 4.340 0.000 0.000 0.206 85 Q C 0.291 176.291 176.000 0.000 0.000 0.991 85 Q CA 1.128 56.932 55.803 0.002 0.000 0.851 85 Q CB -0.501 28.235 28.738 -0.002 0.000 0.911 85 Q HN 0.485 nan 8.270 nan 0.000 0.418 86 L N 1.031 122.254 121.223 -0.000 0.000 2.255 86 L HA 0.366 4.706 4.340 0.000 0.000 0.289 86 L C 0.082 176.936 176.870 -0.027 0.000 1.046 86 L CA -0.362 54.480 54.840 0.005 0.000 0.816 86 L CB 1.532 43.596 42.059 0.008 0.000 1.197 86 L HN -0.125 nan 8.230 nan 0.000 0.427 87 S N 1.892 117.560 115.700 -0.053 0.000 2.568 87 S HA 0.431 4.901 4.470 0.000 0.000 0.302 87 S C 0.878 175.386 174.600 -0.154 0.000 1.082 87 S CA -0.831 57.313 58.200 -0.093 0.000 1.009 87 S CB 1.285 64.440 63.200 -0.075 0.000 1.069 87 S HN 0.705 nan 8.310 nan 0.000 0.500 88 R N 1.656 122.019 120.500 -0.228 0.000 2.425 88 R HA -0.023 4.317 4.340 0.000 0.000 0.206 88 R C -0.360 175.757 176.300 -0.305 0.000 1.117 88 R CA 1.105 57.003 56.100 -0.336 0.000 1.098 88 R CB -0.371 29.603 30.300 -0.544 0.000 0.843 88 R HN 0.558 nan 8.270 nan 0.000 0.480 89 D N -2.252 118.022 120.400 -0.211 0.000 2.403 89 D HA -0.054 4.586 4.640 0.000 0.000 0.280 89 D C 1.348 177.560 176.300 -0.147 0.000 1.091 89 D CA 0.069 53.969 54.000 -0.166 0.000 0.884 89 D CB -0.100 40.633 40.800 -0.112 0.000 1.427 89 D HN -0.067 nan 8.370 nan 0.000 0.504 90 S N 0.050 115.671 115.700 -0.133 0.000 2.436 90 S HA 0.057 4.527 4.470 0.000 0.000 0.228 90 S C 1.732 176.198 174.600 -0.224 0.000 1.014 90 S CA 0.472 58.599 58.200 -0.121 0.000 0.950 90 S CB -0.135 63.028 63.200 -0.063 0.000 0.784 90 S HN 0.126 nan 8.310 nan 0.000 0.504 91 L N 0.672 121.749 121.223 -0.243 0.000 2.156 91 L HA 0.106 4.446 4.340 0.000 0.000 0.208 91 L C 2.079 178.754 176.870 -0.325 0.000 1.095 91 L CA 0.570 55.203 54.840 -0.346 0.000 0.770 91 L CB -0.294 41.632 42.059 -0.221 0.000 0.914 91 L HN 0.335 nan 8.230 nan 0.000 0.439 92 L N -0.920 120.150 121.223 -0.254 0.000 2.591 92 L HA 0.030 4.370 4.340 0.000 0.000 0.228 92 L C 1.887 178.645 176.870 -0.187 0.000 1.133 92 L CA 0.942 55.652 54.840 -0.217 0.000 0.880 92 L CB -0.198 41.735 42.059 -0.210 0.000 1.033 92 L HN 0.226 nan 8.230 nan 0.000 0.450 93 S N -2.977 112.604 115.700 -0.199 0.000 2.603 93 S HA 0.312 4.782 4.470 0.000 0.000 0.232 93 S C 1.586 176.096 174.600 -0.150 0.000 1.016 93 S CA 0.170 58.286 58.200 -0.140 0.000 0.976 93 S CB 0.114 63.259 63.200 -0.093 0.000 0.921 93 S HN 0.486 nan 8.310 nan 0.000 0.516 94 G N 0.759 109.367 108.800 -0.321 0.000 2.216 94 G HA2 -0.372 3.588 3.960 0.000 0.000 0.269 94 G HA3 -0.372 3.588 3.960 0.000 0.000 0.269 94 G C 0.977 175.790 174.900 -0.145 0.000 0.981 94 G CA 0.607 45.469 45.100 -0.396 0.000 0.658 94 G HN 0.654 nan 8.290 nan 0.000 0.539 95 C N 1.066 120.312 119.300 -0.089 0.000 2.456 95 C HA 0.201 4.661 4.460 0.000 0.000 0.279 95 C C 1.674 176.711 174.990 0.079 0.000 1.427 95 C CA 0.122 59.153 59.018 0.021 0.000 1.778 95 C CB -1.543 26.200 27.740 0.004 0.000 1.842 95 C HN 0.811 nan 8.230 nan 0.000 0.531 96 H N 1.395 120.368 119.070 -0.162 0.000 3.095 96 H HA -0.024 4.532 4.556 0.000 0.000 0.351 96 H C -1.219 173.987 175.328 -0.203 0.000 1.123 96 H CA -0.812 55.130 56.048 -0.176 0.000 1.368 96 H CB -0.260 29.374 29.762 -0.214 0.000 1.293 96 H HN 0.094 nan 8.280 nan 0.000 0.606 97 P HA -0.146 nan 4.420 nan 0.000 0.220 97 P C 0.657 177.745 177.300 -0.354 0.000 1.142 97 P CA 1.899 64.883 63.100 -0.194 0.000 0.801 97 P CB 0.017 31.631 31.700 -0.143 0.000 0.764 98 G N -1.526 106.784 108.800 -0.818 0.000 2.359 98 G HA2 0.194 4.154 3.960 0.000 0.000 0.314 98 G HA3 0.194 4.154 3.960 0.000 0.000 0.314 98 G C -1.434 172.800 174.900 -1.111 0.000 1.364 98 G CA -1.088 43.448 45.100 -0.940 0.000 0.978 98 G HN -0.049 nan 8.290 nan 0.000 0.615 99 F N 0.786 120.553 119.950 -0.305 0.000 2.396 99 F HA 0.625 5.152 4.527 0.000 0.000 0.343 99 F C 1.281 177.028 175.800 -0.089 0.000 1.104 99 F CA 0.444 58.366 58.000 -0.130 0.000 1.161 99 F CB 1.461 40.472 39.000 0.019 0.000 1.146 99 F HN 0.688 nan 8.300 nan 0.000 0.522 100 G N 1.927 110.789 108.800 0.102 0.000 2.552 100 G HA2 0.502 4.462 3.960 0.000 0.000 0.318 100 G HA3 0.502 4.462 3.960 0.000 0.000 0.318 100 G C -2.242 172.694 174.900 0.060 0.000 1.240 100 G CA -1.814 43.315 45.100 0.048 0.000 1.002 100 G HN 0.359 nan 8.290 nan 0.000 0.493 101 P HA -0.210 nan 4.420 nan 0.000 0.228 101 P C 1.911 179.096 177.300 -0.192 0.000 0.821 101 P CA 1.255 64.325 63.100 -0.050 0.000 1.093 101 P CB -0.031 31.655 31.700 -0.024 0.000 0.688 102 L N -1.195 119.731 121.223 -0.494 0.000 2.263 102 L HA -0.133 4.207 4.340 0.000 0.000 0.216 102 L C 2.541 178.913 176.870 -0.830 0.000 1.111 102 L CA 2.264 56.486 54.840 -1.030 0.000 0.773 102 L CB -2.016 38.733 42.059 -2.182 0.000 0.906 102 L HN 0.167 nan 8.230 nan 0.000 0.439 103 G N -0.495 108.189 108.800 -0.195 0.000 2.459 103 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 103 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 103 G C 1.634 176.633 174.900 0.164 0.000 1.183 103 G CA 1.057 46.401 45.100 0.406 0.000 0.776 103 G HN 0.238 nan 8.290 nan 0.000 0.552 104 V N 0.943 120.893 119.914 0.061 0.000 2.231 104 V HA -0.253 3.867 4.120 0.000 0.000 0.250 104 V C 2.757 178.856 176.094 0.009 0.000 1.058 104 V CA 2.394 64.707 62.300 0.022 0.000 1.022 104 V CB -0.512 31.313 31.823 0.003 0.000 0.640 104 V HN 0.408 nan 8.190 nan 0.000 0.445 105 E N 0.178 120.366 120.200 -0.020 0.000 2.068 105 E HA -0.296 4.054 4.350 0.000 0.000 0.207 105 E C 2.149 178.758 176.600 0.015 0.000 1.032 105 E CA 2.341 58.731 56.400 -0.016 0.000 0.839 105 E CB -0.732 28.942 29.700 -0.043 0.000 0.758 105 E HN 0.409 nan 8.360 nan 0.000 0.457 106 L N 1.451 122.705 121.223 0.051 0.000 1.978 106 L HA -0.239 4.101 4.340 0.000 0.000 0.218 106 L C 2.821 179.729 176.870 0.064 0.000 1.075 106 L CA 2.858 57.750 54.840 0.086 0.000 0.767 106 L CB -0.810 41.366 42.059 0.195 0.000 0.890 106 L HN 0.164 nan 8.230 nan 0.000 0.434 107 R N -0.240 120.302 120.500 0.070 0.000 2.097 107 R HA -0.266 4.074 4.340 0.000 0.000 0.236 107 R C 2.531 178.850 176.300 0.030 0.000 1.135 107 R CA 2.340 58.466 56.100 0.043 0.000 0.934 107 R CB -0.497 29.806 30.300 0.005 0.000 0.846 107 R HN 0.481 nan 8.270 nan 0.000 0.431 108 K N 0.089 120.495 120.400 0.011 0.000 2.160 108 K HA -0.248 4.072 4.320 0.000 0.000 0.206 108 K C 1.804 178.415 176.600 0.019 0.000 1.047 108 K CA 2.063 58.352 56.287 0.002 0.000 0.930 108 K CB -0.271 32.219 32.500 -0.016 0.000 0.720 108 K HN 0.279 nan 8.250 nan 0.000 0.450 109 N N 0.490 119.205 118.700 0.024 0.000 2.106 109 N HA -0.195 4.545 4.740 0.000 0.000 0.188 109 N C 1.763 177.312 175.510 0.065 0.000 1.029 109 N CA 1.196 54.263 53.050 0.027 0.000 0.848 109 N CB -0.254 38.239 38.487 0.010 0.000 1.007 109 N HN 0.187 nan 8.380 nan 0.000 0.423 110 L N 0.893 122.163 121.223 0.078 0.000 1.937 110 L HA 0.076 4.416 4.340 0.000 0.000 0.213 110 L C 2.323 179.355 176.870 0.270 0.000 1.077 110 L CA 2.276 57.205 54.840 0.150 0.000 0.758 110 L CB -1.647 40.496 42.059 0.140 0.000 0.888 110 L HN 0.288 nan 8.230 nan 0.000 0.433 111 A N -0.083 122.844 122.820 0.179 0.000 1.906 111 A HA -0.365 3.955 4.320 0.000 0.000 0.222 111 A C 2.475 180.259 177.584 0.333 0.000 1.282 111 A CA 3.568 55.711 52.037 0.178 0.000 0.675 111 A CB -1.713 17.354 19.000 0.112 0.000 0.838 111 A HN 0.820 nan 8.150 nan 0.000 0.469 112 A N -1.043 121.930 122.820 0.255 0.000 1.881 112 A HA -0.295 4.025 4.320 0.000 0.000 0.219 112 A C 1.920 179.736 177.584 0.388 0.000 1.215 112 A CA 2.587 54.774 52.037 0.251 0.000 0.648 112 A CB -0.771 18.266 19.000 0.062 0.000 0.832 112 A HN 0.562 nan 8.150 nan 0.000 0.455 113 E N -1.686 118.742 120.200 0.380 0.000 2.267 113 E HA -0.191 4.159 4.350 0.000 0.000 0.197 113 E C 1.471 178.592 176.600 0.869 0.000 0.998 113 E CA 1.039 57.725 56.400 0.477 0.000 0.830 113 E CB -0.297 29.557 29.700 0.256 0.000 0.751 113 E HN 0.793 nan 8.360 nan 0.000 0.491 114 W N -0.658 120.880 121.300 0.397 0.000 2.443 114 W HA -0.093 4.567 4.660 0.000 0.000 0.296 114 W C 1.869 178.301 176.519 -0.146 0.000 1.202 114 W CA 1.054 58.048 57.345 -0.586 0.000 1.312 114 W CB -0.437 28.467 29.460 -0.925 0.000 1.120 114 W HN 0.193 nan 8.180 nan 0.000 0.536 115 W N 1.309 122.725 121.300 0.194 0.000 2.313 115 W HA -0.271 4.389 4.660 0.000 0.000 0.293 115 W C 1.464 178.015 176.519 0.053 0.000 1.216 115 W CA 2.564 59.983 57.345 0.125 0.000 1.223 115 W CB -0.837 28.700 29.460 0.128 0.000 1.138 115 W HN -0.139 nan 8.180 nan 0.000 0.535 116 T N -0.686 114.094 114.554 0.376 0.000 2.755 116 T HA -0.178 4.172 4.350 0.000 0.000 0.251 116 T C 1.959 176.942 174.700 0.472 0.000 1.044 116 T CA 1.825 64.148 62.100 0.372 0.000 1.154 116 T CB -1.013 68.072 68.868 0.362 0.000 0.866 116 T HN 0.149 nan 8.240 nan 0.000 0.416 117 S N 0.315 116.233 115.700 0.363 0.000 2.513 117 S HA -0.260 4.210 4.470 0.000 0.000 0.311 117 S C 1.942 176.106 174.600 -0.726 0.000 1.227 117 S CA 2.693 60.746 58.200 -0.245 0.000 1.234 117 S CB -0.911 61.470 63.200 -1.366 0.000 1.244 117 S HN 0.355 nan 8.310 nan 0.000 0.445 118 V N -0.243 119.188 119.914 -0.806 0.000 3.090 118 V HA 0.226 4.346 4.120 0.000 0.000 0.237 118 V C 2.053 177.906 176.094 -0.401 0.000 1.209 118 V CA 1.068 62.966 62.300 -0.669 0.000 1.209 118 V CB 0.113 31.433 31.823 -0.840 0.000 0.971 118 V HN 0.436 nan 8.190 nan 0.000 0.477 119 V N 0.771 120.417 119.914 -0.446 0.000 2.295 119 V HA -0.182 3.938 4.120 0.000 0.000 0.246 119 V C 2.530 178.523 176.094 -0.168 0.000 1.049 119 V CA 2.468 64.558 62.300 -0.351 0.000 1.024 119 V CB -0.626 30.839 31.823 -0.598 0.000 0.648 119 V HN 0.445 nan 8.190 nan 0.000 0.447 120 V N -0.958 118.961 119.914 0.009 0.000 2.379 120 V HA -0.171 3.949 4.120 0.000 0.000 0.245 120 V C 2.176 178.265 176.094 -0.008 0.000 1.044 120 V CA 1.772 64.091 62.300 0.031 0.000 1.036 120 V CB -0.805 31.053 31.823 0.059 0.000 0.664 120 V HN 0.410 nan 8.190 nan 0.000 0.453 121 F N 1.471 121.337 119.950 -0.140 0.000 2.085 121 F HA -0.227 4.300 4.527 0.000 0.000 0.299 121 F C 1.593 177.300 175.800 -0.156 0.000 1.096 121 F CA 1.838 59.750 58.000 -0.148 0.000 1.227 121 F CB -0.112 38.766 39.000 -0.203 0.000 0.983 121 F HN 0.255 nan 8.300 nan 0.000 0.482 122 R N -0.000 120.502 120.500 0.004 0.000 2.721 122 R HA 0.172 4.512 4.340 0.000 0.000 0.272 122 R C -0.389 175.843 176.300 -0.114 0.000 1.721 122 R CA -0.425 55.641 56.100 -0.057 0.000 1.325 122 R CB 0.234 30.491 30.300 -0.073 0.000 1.271 122 R HN -0.012 nan 8.270 nan 0.000 0.556 123 E N 2.395 122.502 120.200 -0.154 0.000 3.577 123 E HA -0.147 4.203 4.350 0.000 0.000 0.247 123 E C -0.087 176.273 176.600 -0.399 0.000 1.411 123 E CA 0.609 56.831 56.400 -0.296 0.000 1.373 123 E CB 0.115 29.693 29.700 -0.203 0.000 1.235 123 E HN 0.639 nan 8.360 nan 0.000 0.416 124 Q N -1.137 118.484 119.800 -0.298 0.000 2.402 124 Q HA 0.081 4.421 4.340 0.000 0.000 0.206 124 Q C 0.578 176.336 176.000 -0.403 0.000 0.919 124 Q CA 0.281 55.952 55.803 -0.220 0.000 0.923 124 Q CB 0.948 29.701 28.738 0.025 0.000 1.048 124 Q HN 0.053 nan 8.270 nan 0.000 0.515 125 V N 0.099 119.696 119.914 -0.528 0.000 3.096 125 V HA 0.513 4.633 4.120 0.000 0.000 0.319 125 V C -0.751 174.773 176.094 -0.950 0.000 1.103 125 V CA -0.704 61.349 62.300 -0.413 0.000 1.016 125 V CB 1.364 33.138 31.823 -0.080 0.000 1.090 125 V HN 0.002 nan 8.190 nan 0.000 0.449 126 F N 0.101 120.020 119.950 -0.052 0.000 2.662 126 F HA 0.557 5.084 4.527 0.000 0.000 0.312 126 F C -2.610 173.145 175.800 -0.074 0.000 1.113 126 F CA -2.236 55.720 58.000 -0.073 0.000 0.951 126 F CB 1.800 40.753 39.000 -0.078 0.000 1.344 126 F HN 0.246 nan 8.300 nan 0.000 0.462 127 P HA 0.125 nan 4.420 nan 0.000 0.275 127 P C -0.689 176.648 177.300 0.063 0.000 1.276 127 P CA 0.229 63.337 63.100 0.014 0.000 0.782 127 P CB 1.526 33.265 31.700 0.065 0.000 0.851 128 V N 3.427 123.366 119.914 0.042 0.000 2.617 128 V HA 0.327 4.447 4.120 0.000 0.000 0.298 128 V C -0.360 175.737 176.094 0.006 0.000 1.048 128 V CA -0.362 61.946 62.300 0.013 0.000 0.964 128 V CB 1.479 33.332 31.823 0.051 0.000 1.004 128 V HN 0.408 nan 8.190 nan 0.000 0.466 129 D N 4.726 125.098 120.400 -0.047 0.000 2.462 129 D HA 0.636 5.276 4.640 0.000 0.000 0.249 129 D C -0.102 176.226 176.300 0.047 0.000 1.117 129 D CA 0.074 54.082 54.000 0.015 0.000 0.900 129 D CB 1.075 41.891 40.800 0.026 0.000 1.039 129 D HN 0.902 nan 8.370 nan 0.000 0.516 130 A N 3.370 126.238 122.820 0.079 0.000 2.293 130 A HA 0.557 4.877 4.320 0.000 0.000 0.302 130 A C 0.120 177.756 177.584 0.087 0.000 1.119 130 A CA -0.638 51.464 52.037 0.108 0.000 0.823 130 A CB 0.579 19.608 19.000 0.049 0.000 1.097 130 A HN 0.636 nan 8.150 nan 0.000 0.491 131 L N 0.052 121.333 121.223 0.097 0.000 2.474 131 L HA 0.141 4.481 4.340 0.000 0.000 0.259 131 L C 0.983 177.925 176.870 0.118 0.000 1.232 131 L CA -0.052 54.884 54.840 0.160 0.000 0.821 131 L CB 0.397 42.499 42.059 0.073 0.000 1.108 131 L HN 0.965 nan 8.230 nan 0.000 0.495 132 H N -1.873 117.286 119.070 0.148 0.000 2.604 132 H HA 0.089 4.645 4.556 0.000 0.000 0.273 132 H C 0.052 175.494 175.328 0.190 0.000 0.971 132 H CA 0.179 56.347 56.048 0.200 0.000 1.249 132 H CB 0.181 30.081 29.762 0.230 0.000 1.449 132 H HN 0.493 nan 8.280 nan 0.000 0.512 133 H N -0.627 118.565 119.070 0.203 0.000 2.754 133 H HA 0.653 5.209 4.556 0.000 0.000 0.352 133 H C -0.915 174.464 175.328 0.085 0.000 1.213 133 H CA -1.056 55.056 56.048 0.107 0.000 1.244 133 H CB 2.286 32.093 29.762 0.075 0.000 1.843 133 H HN -0.013 nan 8.280 nan 0.000 0.587 134 K N 1.573 121.810 120.400 -0.271 0.000 2.581 134 K HA 0.417 4.737 4.320 0.000 0.000 0.249 134 K C -3.065 173.557 176.600 0.037 0.000 0.966 134 K CA -1.352 54.801 56.287 -0.224 0.000 0.811 134 K CB 1.924 34.378 32.500 -0.078 0.000 1.223 134 K HN 0.404 nan 8.250 nan 0.000 0.438 135 P HA 0.451 nan 4.420 nan 0.000 0.307 135 P C 0.251 177.583 177.300 0.053 0.000 1.306 135 P CA 0.342 63.512 63.100 0.117 0.000 0.742 135 P CB 0.503 32.290 31.700 0.144 0.000 1.349 136 G N -1.393 107.433 108.800 0.045 0.000 2.675 136 G HA2 -0.185 3.775 3.960 0.000 0.000 0.312 136 G HA3 -0.185 3.775 3.960 0.000 0.000 0.312 136 G C -1.994 172.916 174.900 0.017 0.000 1.186 136 G CA 0.096 45.210 45.100 0.025 0.000 0.965 136 G HN 0.526 nan 8.290 nan 0.000 0.548 180 K N 0.707 121.106 120.400 -0.003 0.000 2.346 180 K HA 0.860 5.180 4.320 0.000 0.000 0.238 180 K C 0.081 176.656 176.600 -0.041 0.000 1.039 180 K CA -0.864 55.409 56.287 -0.024 0.000 0.861 180 K CB 1.443 33.932 32.500 -0.019 0.000 1.278 180 K HN 0.258 nan 8.250 nan 0.000 0.460 181 L N 1.354 122.535 121.223 -0.071 0.000 2.387 181 L HA 0.541 4.881 4.340 0.000 0.000 0.266 181 L C 0.391 177.259 176.870 -0.004 0.000 1.059 181 L CA -0.982 53.773 54.840 -0.142 0.000 0.801 181 L CB 1.263 43.184 42.059 -0.230 0.000 1.223 181 L HN 0.571 nan 8.230 nan 0.000 0.456 182 R N 1.495 122.055 120.500 0.101 0.000 2.612 182 R HA 0.033 4.373 4.340 0.000 0.000 0.273 182 R C 0.632 177.154 176.300 0.369 0.000 1.376 182 R CA 0.018 56.310 56.100 0.321 0.000 1.171 182 R CB 0.245 30.845 30.300 0.500 0.000 1.151 182 R HN 0.870 nan 8.270 nan 0.000 0.560 183 E N 1.958 122.275 120.200 0.196 0.000 2.207 183 E HA -0.002 4.348 4.350 0.000 0.000 0.197 183 E C 0.064 176.731 176.600 0.112 0.000 0.914 183 E CA -0.360 56.136 56.400 0.159 0.000 0.914 183 E CB 0.011 29.761 29.700 0.084 0.000 0.893 183 E HN 0.278 nan 8.360 nan 0.000 0.479 184 N N 2.454 121.212 118.700 0.097 0.000 3.083 184 N HA 0.108 4.848 4.740 0.000 0.000 0.260 184 N C 1.195 176.773 175.510 0.113 0.000 1.163 184 N CA -0.085 53.019 53.050 0.090 0.000 1.060 184 N CB 0.957 39.491 38.487 0.078 0.000 1.345 184 N HN 0.391 nan 8.380 nan 0.000 0.515 185 L N -0.188 121.077 121.223 0.071 0.000 2.351 185 L HA -0.072 4.268 4.340 0.000 0.000 0.220 185 L C 1.739 178.645 176.870 0.060 0.000 1.127 185 L CA 1.088 55.955 54.840 0.045 0.000 0.786 185 L CB -0.286 41.761 42.059 -0.019 0.000 0.914 185 L HN 0.336 nan 8.230 nan 0.000 0.443 186 L N -0.119 121.149 121.223 0.074 0.000 2.349 186 L HA -0.234 4.106 4.340 0.000 0.000 0.220 186 L C 2.604 179.559 176.870 0.142 0.000 1.130 186 L CA 1.231 56.124 54.840 0.088 0.000 0.791 186 L CB -0.356 41.755 42.059 0.086 0.000 0.918 186 L HN 0.528 nan 8.230 nan 0.000 0.444 187 H N -0.499 118.596 119.070 0.043 0.000 2.317 187 H HA -0.040 4.516 4.556 0.000 0.000 0.304 187 H C 2.020 177.390 175.328 0.069 0.000 1.067 187 H CA 1.530 57.608 56.048 0.049 0.000 1.352 187 H CB -0.637 29.142 29.762 0.028 0.000 1.398 187 H HN 0.226 nan 8.280 nan 0.000 0.510 188 G N 0.544 109.223 108.800 -0.201 0.000 2.596 188 G HA2 -0.382 3.578 3.960 0.000 0.000 0.223 188 G HA3 -0.382 3.578 3.960 0.000 0.000 0.223 188 G C 1.910 176.766 174.900 -0.073 0.000 1.120 188 G CA 1.750 46.713 45.100 -0.229 0.000 0.752 188 G HN 0.687 nan 8.290 nan 0.000 0.596 189 A N 0.885 123.720 122.820 0.025 0.000 1.865 189 A HA 0.012 4.332 4.320 0.000 0.000 0.217 189 A C 2.408 180.043 177.584 0.085 0.000 1.191 189 A CA 1.556 53.655 52.037 0.104 0.000 0.623 189 A CB -0.524 18.549 19.000 0.121 0.000 0.826 189 A HN 0.280 nan 8.150 nan 0.000 0.444 190 L N -0.058 121.215 121.223 0.084 0.000 2.040 190 L HA -0.324 4.016 4.340 0.000 0.000 0.228 190 L C 2.502 179.376 176.870 0.008 0.000 1.092 190 L CA 2.722 57.640 54.840 0.130 0.000 0.805 190 L CB -1.787 40.511 42.059 0.399 0.000 0.905 190 L HN 0.573 nan 8.230 nan 0.000 0.443 191 E N -1.393 118.834 120.200 0.045 0.000 2.118 191 E HA -0.226 4.124 4.350 0.000 0.000 0.195 191 E C 1.958 178.424 176.600 -0.223 0.000 0.992 191 E CA 1.047 57.411 56.400 -0.058 0.000 0.804 191 E CB -0.114 29.467 29.700 -0.200 0.000 0.741 191 E HN 0.617 nan 8.360 nan 0.000 0.458 192 H N -1.190 117.856 119.070 -0.041 0.000 2.551 192 H HA -0.043 4.513 4.556 0.000 0.000 0.266 192 H C 1.619 176.909 175.328 -0.062 0.000 0.964 192 H CA 0.435 56.457 56.048 -0.042 0.000 1.180 192 H CB -0.006 29.754 29.762 -0.004 0.000 1.408 192 H HN 0.263 nan 8.280 nan 0.000 0.563 193 Y N 1.796 122.017 120.300 -0.131 0.000 2.062 193 Y HA -0.308 4.242 4.550 0.000 0.000 0.276 193 Y C 2.541 178.285 175.900 -0.261 0.000 1.189 193 Y CA 1.859 59.802 58.100 -0.262 0.000 1.130 193 Y CB -0.772 37.410 38.460 -0.462 0.000 0.959 193 Y HN 0.011 nan 8.280 nan 0.000 0.499 194 V N 0.895 120.548 119.914 -0.434 0.000 2.287 194 V HA -0.335 3.785 4.120 0.000 0.000 0.248 194 V C 2.278 178.190 176.094 -0.304 0.000 1.053 194 V CA 2.789 64.808 62.300 -0.469 0.000 1.027 194 V CB -0.984 30.665 31.823 -0.290 0.000 0.646 194 V HN 0.664 nan 8.190 nan 0.000 0.447 195 N N 0.373 118.984 118.700 -0.148 0.000 2.036 195 N HA -0.216 4.524 4.740 0.000 0.000 0.195 195 N C 1.920 177.382 175.510 -0.079 0.000 1.037 195 N CA 2.786 55.813 53.050 -0.039 0.000 0.855 195 N CB -0.735 37.861 38.487 0.182 0.000 1.033 195 N HN 0.814 nan 8.380 nan 0.000 0.423 196 C N -1.105 118.150 119.300 -0.076 0.000 2.533 196 C HA 0.316 4.776 4.460 0.000 0.000 0.272 196 C C 2.503 177.422 174.990 -0.119 0.000 1.371 196 C CA -0.384 58.589 59.018 -0.074 0.000 1.758 196 C CB -1.502 26.264 27.740 0.044 0.000 1.972 196 C HN 0.470 nan 8.230 nan 0.000 0.522 197 L N 2.737 123.786 121.223 -0.290 0.000 1.991 197 L HA -0.244 4.096 4.340 0.000 0.000 0.221 197 L C 2.319 179.065 176.870 -0.207 0.000 1.079 197 L CA 2.664 57.277 54.840 -0.378 0.000 0.778 197 L CB -1.419 40.208 42.059 -0.720 0.000 0.893 197 L HN 0.407 nan 8.230 nan 0.000 0.437 198 D N -0.661 119.613 120.400 -0.210 0.000 2.254 198 D HA -0.241 4.399 4.640 0.000 0.000 0.201 198 D C 2.185 178.404 176.300 -0.135 0.000 0.998 198 D CA 1.312 55.221 54.000 -0.152 0.000 0.885 198 D CB -0.054 40.665 40.800 -0.134 0.000 0.915 198 D HN 0.444 nan 8.370 nan 0.000 0.460 199 L N 1.235 122.365 121.223 -0.155 0.000 1.934 199 L HA -0.180 4.160 4.340 0.000 0.000 0.227 199 L C 1.288 178.055 176.870 -0.172 0.000 1.084 199 L CA 1.752 56.472 54.840 -0.200 0.000 0.790 199 L CB -1.016 40.865 42.059 -0.296 0.000 0.896 199 L HN -0.055 nan 8.230 nan 0.000 0.437 200 V N 0.018 119.841 119.914 -0.152 0.000 2.071 200 V HA 0.190 4.310 4.120 0.000 0.000 0.254 200 V C 1.125 177.196 176.094 -0.038 0.000 1.456 200 V CA 0.117 62.362 62.300 -0.093 0.000 1.383 200 V CB -0.855 30.921 31.823 -0.079 0.000 1.433 200 V HN 0.755 nan 8.190 nan 0.000 0.499 201 N N 3.280 121.950 118.700 -0.051 0.000 2.158 201 N HA -0.344 4.396 4.740 0.000 0.000 0.156 201 N C 0.913 176.402 175.510 -0.035 0.000 0.401 201 N CA 2.723 55.753 53.050 -0.034 0.000 1.448 201 N CB -0.574 37.908 38.487 -0.009 0.000 1.330 201 N HN 0.621 nan 8.380 nan 0.000 0.408 202 K N 0.545 120.944 120.400 -0.002 0.000 2.614 202 K HA 0.110 4.430 4.320 0.000 0.000 0.190 202 K C -0.109 176.531 176.600 0.066 0.000 1.255 202 K CA 0.034 56.323 56.287 0.003 0.000 1.099 202 K CB 0.985 33.482 32.500 -0.006 0.000 1.023 202 K HN 0.727 nan 8.250 nan 0.000 0.576 203 R N 0.411 120.966 120.500 0.091 0.000 2.971 203 R HA 0.282 4.622 4.340 0.000 0.000 0.278 203 R C -0.272 176.154 176.300 0.209 0.000 1.022 203 R CA 0.176 56.357 56.100 0.135 0.000 1.187 203 R CB 0.351 30.724 30.300 0.120 0.000 1.126 203 R HN -0.036 nan 8.270 nan 0.000 0.510 204 L N 0.805 122.155 121.223 0.211 0.000 2.482 204 L HA 0.594 4.934 4.340 0.000 0.000 0.263 204 L C -2.411 174.584 176.870 0.209 0.000 0.957 204 L CA -1.892 53.091 54.840 0.238 0.000 0.836 204 L CB 2.736 44.934 42.059 0.230 0.000 1.324 204 L HN 0.906 nan 8.230 nan 0.000 0.406 205 P HA 0.696 nan 4.420 nan 0.000 0.330 205 P C -2.134 174.758 177.300 -0.680 0.000 1.174 205 P CA -0.513 62.500 63.100 -0.144 0.000 0.879 205 P CB 2.980 34.613 31.700 -0.112 0.000 1.353 206 Y N -4.402 114.615 120.300 -2.138 0.000 3.069 206 Y HA 0.603 5.153 4.550 0.000 0.000 0.401 206 Y C -0.909 173.621 175.900 -2.283 0.000 1.245 206 Y CA -0.847 55.631 58.100 -2.703 0.000 1.142 206 Y CB -0.296 37.574 38.460 -0.983 0.000 1.904 206 Y HN 0.684 nan 8.280 nan 0.000 0.431 207 G N 0.163 108.477 108.800 -0.811 0.000 3.262 207 G HA2 0.680 4.640 3.960 0.000 0.000 0.229 207 G HA3 0.680 4.640 3.960 0.000 0.000 0.229 207 G C -1.578 173.409 174.900 0.145 0.000 1.280 207 G CA -0.738 44.143 45.100 -0.364 0.000 0.951 207 G HN 1.466 nan 8.290 nan 0.000 0.589 208 L N -2.661 118.658 121.223 0.159 0.000 2.564 208 L HA 0.763 5.103 4.340 0.000 0.000 0.259 208 L C -0.043 176.896 176.870 0.115 0.000 1.101 208 L CA -0.959 53.999 54.840 0.198 0.000 0.900 208 L CB 0.882 43.093 42.059 0.253 0.000 1.110 208 L HN 0.666 nan 8.230 nan 0.000 0.468 209 A N 3.001 125.860 122.820 0.065 0.000 2.445 209 A HA 0.577 4.897 4.320 0.000 0.000 0.242 209 A C 0.054 177.630 177.584 -0.013 0.000 1.075 209 A CA 0.073 52.138 52.037 0.046 0.000 0.777 209 A CB 0.787 19.800 19.000 0.021 0.000 1.013 209 A HN 0.838 nan 8.150 nan 0.000 0.493 210 Q N 2.753 122.549 119.800 -0.007 0.000 2.418 210 Q HA 0.206 4.546 4.340 0.000 0.000 0.240 210 Q C -2.057 173.916 176.000 -0.045 0.000 0.859 210 Q CA -0.285 55.509 55.803 -0.016 0.000 0.916 210 Q CB 0.621 29.363 28.738 0.006 0.000 1.448 210 Q HN 0.674 nan 8.270 nan 0.000 0.439 211 I N 3.309 123.865 120.570 -0.025 0.000 2.293 211 I HA 0.311 4.481 4.170 0.000 0.000 0.299 211 I C 0.625 176.714 176.117 -0.046 0.000 1.153 211 I CA -0.090 61.164 61.300 -0.076 0.000 1.302 211 I CB 0.511 38.496 38.000 -0.025 0.000 1.460 211 I HN 0.626 nan 8.210 nan 0.000 0.552 212 G N 4.749 113.490 108.800 -0.099 0.000 2.372 212 G HA2 0.340 4.300 3.960 0.000 0.000 0.323 212 G HA3 0.340 4.300 3.960 0.000 0.000 0.323 212 G C -0.395 174.413 174.900 -0.154 0.000 1.152 212 G CA -0.472 44.552 45.100 -0.126 0.000 0.906 212 G HN 0.324 nan 8.290 nan 0.000 0.460 213 V N 4.855 124.693 119.914 -0.127 0.000 2.356 213 V HA 0.099 4.219 4.120 0.000 0.000 0.244 213 V C 1.071 176.927 176.094 -0.397 0.000 1.120 213 V CA -0.497 61.675 62.300 -0.214 0.000 1.181 213 V CB -1.444 30.295 31.823 -0.139 0.000 1.244 213 V HN 0.827 nan 8.190 nan 0.000 0.487 214 C N 6.825 125.915 119.300 -0.351 0.000 2.724 214 C HA 0.534 4.994 4.460 0.000 0.000 0.270 214 C C 0.312 174.890 174.990 -0.688 0.000 2.271 214 C CA -0.330 58.503 59.018 -0.308 0.000 1.857 214 C CB 0.206 27.883 27.740 -0.105 0.000 1.917 214 C HN 0.796 nan 8.230 nan 0.000 0.551 215 F N -1.642 118.346 119.950 0.064 0.000 2.726 215 F HA 0.531 5.058 4.527 0.000 0.000 0.324 215 F C -0.349 175.547 175.800 0.160 0.000 1.140 215 F CA -0.365 57.692 58.000 0.095 0.000 0.964 215 F CB 1.174 40.215 39.000 0.068 0.000 1.399 215 F HN 0.712 nan 8.300 nan 0.000 0.491 216 H N 0.136 119.402 119.070 0.327 0.000 5.299 216 H HA 0.191 4.747 4.556 0.000 0.000 0.757 216 H C -3.051 172.383 175.328 0.176 0.000 1.964 216 H CA -0.813 55.338 56.048 0.171 0.000 1.526 216 H CB 1.039 30.852 29.762 0.085 0.000 4.040 216 H HN 0.180 nan 8.280 nan 0.000 0.567 217 P HA 0.202 nan 4.420 nan 0.000 0.181 217 P C -0.268 177.118 177.300 0.143 0.000 1.874 217 P CA -0.603 62.620 63.100 0.205 0.000 1.310 217 P CB 0.854 32.664 31.700 0.185 0.000 1.629 230 S N -0.359 115.359 115.700 0.030 0.000 2.671 230 S HA 0.817 5.287 4.470 0.000 0.000 0.270 230 S C -1.564 173.066 174.600 0.049 0.000 1.166 230 S CA -0.989 57.231 58.200 0.034 0.000 0.868 230 S CB 0.925 64.142 63.200 0.029 0.000 1.190 230 S HN 0.857 nan 8.310 nan 0.000 0.494 231 I N -2.288 118.317 120.570 0.058 0.000 3.004 231 I HA 0.978 5.148 4.170 0.000 0.000 0.305 231 I C -0.374 175.805 176.117 0.103 0.000 1.312 231 I CA -0.508 60.845 61.300 0.088 0.000 0.992 231 I CB 1.227 39.278 38.000 0.086 0.000 1.282 231 I HN 1.191 nan 8.210 nan 0.000 0.449 232 G N 2.438 111.329 108.800 0.151 0.000 2.646 232 G HA2 0.586 4.546 3.960 0.000 0.000 0.291 232 G HA3 0.586 4.546 3.960 0.000 0.000 0.291 232 G C -2.013 173.026 174.900 0.233 0.000 1.445 232 G CA -0.619 44.573 45.100 0.152 0.000 0.814 232 G HN 0.716 nan 8.290 nan 0.000 0.495 233 E N 0.079 120.411 120.200 0.221 0.000 2.199 233 E HA 0.411 4.761 4.350 0.000 0.000 0.265 233 E C -1.024 175.628 176.600 0.087 0.000 0.882 233 E CA -0.786 55.701 56.400 0.146 0.000 0.759 233 E CB 2.151 31.968 29.700 0.195 0.000 1.148 233 E HN 0.157 nan 8.360 nan 0.000 0.412 234 K N 2.027 122.360 120.400 -0.112 0.000 2.299 234 K HA 0.098 4.418 4.320 0.000 0.000 0.268 234 K C 1.054 177.537 176.600 -0.194 0.000 1.075 234 K CA -0.135 56.095 56.287 -0.095 0.000 0.936 234 K CB 0.819 33.266 32.500 -0.088 0.000 1.228 234 K HN 0.627 nan 8.250 nan 0.000 0.454 235 T N 0.760 115.211 114.554 -0.172 0.000 2.544 235 T HA -0.266 4.084 4.350 0.000 0.000 0.264 235 T C -0.011 174.574 174.700 -0.191 0.000 1.096 235 T CA 1.030 63.003 62.100 -0.213 0.000 1.181 235 T CB -0.741 67.975 68.868 -0.255 0.000 0.864 235 T HN 0.731 nan 8.240 nan 0.000 0.415 236 E N 0.823 120.918 120.200 -0.175 0.000 9.128 236 E HA 0.033 4.383 4.350 0.000 0.000 0.466 236 E C -0.612 175.852 176.600 -0.227 0.000 1.362 236 E CA -0.006 56.279 56.400 -0.191 0.000 2.366 236 E CB -1.394 28.201 29.700 -0.174 0.000 1.025 236 E HN 1.081 nan 8.360 nan 0.000 0.333 237 A N 0.460 123.095 122.820 -0.308 0.000 2.572 237 A HA 0.751 5.071 4.320 0.000 0.000 0.295 237 A C -1.073 176.286 177.584 -0.375 0.000 1.072 237 A CA 0.242 52.038 52.037 -0.401 0.000 0.691 237 A CB 2.588 21.150 19.000 -0.731 0.000 1.291 237 A HN 0.649 nan 8.150 nan 0.000 0.404 238 S N -0.032 115.518 115.700 -0.250 0.000 2.546 238 S HA 0.739 5.209 4.470 0.000 0.000 0.274 238 S C -1.919 172.708 174.600 0.044 0.000 1.121 238 S CA -0.418 57.718 58.200 -0.107 0.000 0.887 238 S CB 1.355 64.522 63.200 -0.055 0.000 1.094 238 S HN 1.685 nan 8.310 nan 0.000 0.474 239 L N 4.288 125.587 121.223 0.127 0.000 2.386 239 L HA 0.815 5.155 4.340 0.000 0.000 0.271 239 L C -1.568 175.383 176.870 0.135 0.000 0.993 239 L CA -0.390 54.565 54.840 0.192 0.000 0.819 239 L CB 1.960 44.198 42.059 0.298 0.000 1.294 239 L HN 0.470 nan 8.230 nan 0.000 0.414 240 V N 5.238 125.228 119.914 0.126 0.000 2.380 240 V HA 0.277 4.397 4.120 0.000 0.000 0.272 240 V C -0.685 175.428 176.094 0.031 0.000 1.011 240 V CA -0.571 61.791 62.300 0.103 0.000 0.826 240 V CB 0.970 32.866 31.823 0.121 0.000 1.040 240 V HN 0.754 nan 8.190 nan 0.000 0.441 241 W N 6.331 127.473 121.300 -0.264 0.000 2.359 241 W HA 0.667 5.327 4.660 0.000 0.000 0.344 241 W C -1.320 174.886 176.519 -0.522 0.000 1.170 241 W CA -1.000 55.988 57.345 -0.594 0.000 1.296 241 W CB 1.862 31.003 29.460 -0.531 0.000 1.197 241 W HN 0.534 nan 8.180 nan 0.000 0.618 242 F N 2.573 122.360 119.950 -0.272 0.000 2.646 242 F HA 0.334 4.861 4.527 0.000 0.000 0.364 242 F C -0.079 175.692 175.800 -0.049 0.000 1.137 242 F CA -1.140 56.743 58.000 -0.195 0.000 1.085 242 F CB 0.203 38.953 39.000 -0.416 0.000 1.331 242 F HN 0.018 nan 8.300 nan 0.000 0.472 243 T N 3.885 118.572 114.554 0.222 0.000 2.928 243 T HA 0.582 4.932 4.350 0.000 0.000 0.284 243 T C -2.623 172.189 174.700 0.187 0.000 1.008 243 T CA -2.159 60.090 62.100 0.248 0.000 1.057 243 T CB 1.401 70.393 68.868 0.207 0.000 1.018 243 T HN 0.456 nan 8.240 nan 0.000 0.493 244 P HA 0.293 nan 4.420 nan 0.000 0.279 244 P C -2.159 175.220 177.300 0.132 0.000 1.252 244 P CA -1.604 61.591 63.100 0.159 0.000 0.811 244 P CB 0.824 32.629 31.700 0.174 0.000 1.035 245 P HA -0.241 nan 4.420 nan 0.000 0.211 245 P C 1.560 178.901 177.300 0.068 0.000 1.181 245 P CA 1.499 64.640 63.100 0.068 0.000 0.929 245 P CB -0.079 31.650 31.700 0.049 0.000 0.789 246 R N 0.269 120.808 120.500 0.065 0.000 2.369 246 R HA -0.114 4.226 4.340 0.000 0.000 0.208 246 R C 1.893 178.221 176.300 0.047 0.000 1.030 246 R CA 2.407 58.536 56.100 0.048 0.000 0.812 246 R CB -1.976 28.353 30.300 0.048 0.000 0.765 246 R HN 0.157 nan 8.270 nan 0.000 0.441 247 T N 0.858 115.446 114.554 0.058 0.000 3.650 247 T HA -0.039 4.311 4.350 0.000 0.000 0.254 247 T C 1.452 176.237 174.700 0.141 0.000 1.130 247 T CA 0.709 62.815 62.100 0.009 0.000 0.984 247 T CB -0.205 68.636 68.868 -0.046 0.000 1.039 247 T HN 0.324 nan 8.240 nan 0.000 0.586 248 S N 1.856 117.639 115.700 0.138 0.000 2.336 248 S HA -0.104 4.366 4.470 0.000 0.000 0.216 248 S C 2.094 176.768 174.600 0.124 0.000 1.032 248 S CA 0.930 59.221 58.200 0.153 0.000 0.973 248 S CB -0.240 63.017 63.200 0.095 0.000 0.888 248 S HN 0.477 nan 8.310 nan 0.000 0.455 249 N N 1.081 119.827 118.700 0.078 0.000 2.043 249 N HA -0.166 4.574 4.740 0.000 0.000 0.193 249 N C 1.847 177.421 175.510 0.107 0.000 1.037 249 N CA 1.905 54.998 53.050 0.072 0.000 0.851 249 N CB -0.542 37.972 38.487 0.045 0.000 1.027 249 N HN 0.488 nan 8.380 nan 0.000 0.422 250 Q N 0.003 119.830 119.800 0.046 0.000 1.985 250 Q HA -0.141 4.199 4.340 0.000 0.000 0.207 250 Q C 0.322 176.467 176.000 0.243 0.000 0.996 250 Q CA 1.717 57.518 55.803 -0.003 0.000 0.851 250 Q CB -0.954 27.618 28.738 -0.277 0.000 0.921 250 Q HN 0.561 nan 8.270 nan 0.000 0.418 251 W N 0.229 121.686 121.300 0.263 0.000 1.317 251 W HA 0.241 4.901 4.660 0.000 0.000 0.492 251 W C 0.149 176.772 176.519 0.174 0.000 0.581 251 W CA -0.720 56.896 57.345 0.451 0.000 2.503 251 W CB 0.103 29.768 29.460 0.342 0.000 1.157 251 W HN 0.341 nan 8.180 nan 0.000 0.299 252 L N -0.720 120.796 121.223 0.488 0.000 2.208 252 L HA 0.047 4.387 4.340 0.000 0.000 0.133 252 L C 1.616 178.646 176.870 0.267 0.000 1.385 252 L CA 0.594 55.509 54.840 0.124 0.000 1.030 252 L CB -0.597 41.496 42.059 0.056 0.000 2.075 252 L HN -0.280 nan 8.230 nan 0.000 0.482 253 D N 0.147 120.693 120.400 0.244 0.000 2.133 253 D HA -0.224 4.416 4.640 0.000 0.000 0.195 253 D C 1.928 178.382 176.300 0.256 0.000 0.997 253 D CA 1.916 56.040 54.000 0.206 0.000 0.840 253 D CB -0.266 40.632 40.800 0.163 0.000 0.947 253 D HN 0.360 nan 8.370 nan 0.000 0.452 254 F N 0.330 120.428 119.950 0.246 0.000 2.126 254 F HA -0.192 4.335 4.527 0.000 0.000 0.299 254 F C 1.789 177.685 175.800 0.160 0.000 1.096 254 F CA 1.022 59.132 58.000 0.184 0.000 1.255 254 F CB -0.908 38.210 39.000 0.197 0.000 0.997 254 F HN -0.078 nan 8.300 nan 0.000 0.479 255 W N 0.833 121.653 121.300 -0.799 0.000 2.290 255 W HA -0.282 4.378 4.660 0.000 0.000 0.318 255 W C 2.619 178.861 176.519 -0.461 0.000 1.248 255 W CA 1.864 58.676 57.345 -0.888 0.000 1.263 255 W CB -1.357 27.803 29.460 -0.499 0.000 1.147 255 W HN 0.138 nan 8.180 nan 0.000 0.494 256 L N 1.422 122.634 121.223 -0.018 0.000 1.978 256 L HA -0.292 4.048 4.340 0.000 0.000 0.218 256 L C 2.547 179.383 176.870 -0.057 0.000 1.075 256 L CA 2.758 57.598 54.840 0.001 0.000 0.767 256 L CB -1.585 40.507 42.059 0.056 0.000 0.890 256 L HN 0.211 nan 8.230 nan 0.000 0.434 257 R N -0.944 119.534 120.500 -0.037 0.000 2.168 257 R HA -0.336 4.004 4.340 0.000 0.000 0.242 257 R C 2.253 178.521 176.300 -0.052 0.000 1.123 257 R CA 2.242 58.351 56.100 0.015 0.000 0.928 257 R CB -0.947 29.452 30.300 0.165 0.000 0.873 257 R HN 0.629 nan 8.270 nan 0.000 0.434 258 H N 0.430 119.307 119.070 -0.321 0.000 2.907 258 H HA -0.189 4.367 4.556 0.000 0.000 0.283 258 H C 1.729 176.919 175.328 -0.229 0.000 1.035 258 H CA 2.674 58.514 56.048 -0.347 0.000 1.141 258 H CB -0.546 28.820 29.762 -0.660 0.000 1.632 258 H HN 0.260 nan 8.280 nan 0.000 0.861 259 R N 0.235 120.081 120.500 -1.091 0.000 2.357 259 R HA -0.064 4.276 4.340 0.000 0.000 0.202 259 R C 2.265 178.428 176.300 -0.229 0.000 1.047 259 R CA 0.582 56.206 56.100 -0.793 0.000 1.034 259 R CB -0.439 29.438 30.300 -0.705 0.000 0.875 259 R HN 0.411 nan 8.270 nan 0.000 0.473 260 L N 1.507 122.643 121.223 -0.145 0.000 2.054 260 L HA -0.320 4.020 4.340 0.000 0.000 0.220 260 L C 2.006 178.874 176.870 -0.003 0.000 1.081 260 L CA 2.033 56.866 54.840 -0.011 0.000 0.780 260 L CB -0.826 41.244 42.059 0.018 0.000 0.893 260 L HN 0.166 nan 8.230 nan 0.000 0.438 261 Q N -2.121 117.640 119.800 -0.064 0.000 2.437 261 Q HA -0.191 4.149 4.340 0.000 0.000 0.210 261 Q C 1.688 177.562 176.000 -0.209 0.000 0.972 261 Q CA 0.936 56.685 55.803 -0.089 0.000 0.903 261 Q CB -0.257 28.424 28.738 -0.095 0.000 0.967 261 Q HN 0.645 nan 8.270 nan 0.000 0.486 262 W N 0.389 121.446 121.300 -0.405 0.000 2.119 262 W HA -0.263 4.397 4.660 0.000 0.000 0.314 262 W C 1.698 178.039 176.519 -0.296 0.000 1.154 262 W CA 1.601 58.636 57.345 -0.517 0.000 1.103 262 W CB -0.978 27.970 29.460 -0.853 0.000 1.165 262 W HN 0.285 nan 8.180 nan 0.000 0.469 263 W N 0.699 121.948 121.300 -0.085 0.000 2.289 263 W HA -0.336 4.324 4.660 0.000 0.000 0.331 263 W C 2.364 178.844 176.519 -0.065 0.000 1.283 263 W CA 2.570 59.811 57.345 -0.173 0.000 1.252 263 W CB -1.599 27.479 29.460 -0.637 0.000 1.153 263 W HN 0.145 nan 8.180 nan 0.000 0.467 264 R N 1.342 121.952 120.500 0.184 0.000 2.140 264 R HA -0.234 4.106 4.340 0.000 0.000 0.250 264 R C 1.418 177.819 176.300 0.169 0.000 1.150 264 R CA 2.020 58.330 56.100 0.350 0.000 0.966 264 R CB -1.425 29.031 30.300 0.261 0.000 0.869 264 R HN 0.258 nan 8.270 nan 0.000 0.445 265 K N 1.041 121.383 120.400 -0.097 0.000 3.698 265 K HA -0.245 4.075 4.320 0.000 0.000 0.272 265 K C -1.115 175.418 176.600 -0.112 0.000 0.805 265 K CA 1.185 57.240 56.287 -0.387 0.000 0.610 265 K CB -1.661 30.511 32.500 -0.546 0.000 1.713 265 K HN 0.338 nan 8.250 nan 0.000 0.442 266 F N -3.555 116.445 119.950 0.083 0.000 2.890 266 F HA -0.220 4.307 4.527 0.000 0.000 0.333 266 F C 0.973 176.851 175.800 0.129 0.000 1.012 266 F CA 0.316 58.369 58.000 0.089 0.000 1.090 266 F CB -2.477 36.567 39.000 0.074 0.000 1.281 266 F HN 0.609 nan 8.300 nan 0.000 0.786 267 A N 0.770 123.768 122.820 0.296 0.000 2.552 267 A HA 0.397 4.717 4.320 0.000 0.000 0.241 267 A C 1.362 179.030 177.584 0.138 0.000 1.103 267 A CA 1.030 53.201 52.037 0.224 0.000 0.789 267 A CB 0.387 19.488 19.000 0.168 0.000 1.050 267 A HN 0.785 nan 8.150 nan 0.000 0.515 268 M N -1.080 118.586 119.600 0.111 0.000 3.046 268 M HA 0.110 4.590 4.480 0.000 0.000 0.215 268 M C 1.256 177.570 176.300 0.023 0.000 1.815 268 M CA 1.099 56.433 55.300 0.057 0.000 1.316 268 M CB 0.424 33.071 32.600 0.078 0.000 1.187 268 M HN 0.589 nan 8.290 nan 0.000 0.595 269 S N 0.130 115.832 115.700 0.004 0.000 2.526 269 S HA 0.266 4.736 4.470 0.000 0.000 0.220 269 S C -2.017 172.507 174.600 -0.126 0.000 1.017 269 S CA -0.427 57.746 58.200 -0.045 0.000 0.930 269 S CB -0.154 63.028 63.200 -0.029 0.000 0.856 269 S HN 0.321 nan 8.310 nan 0.000 0.497 270 P HA 0.113 nan 4.420 nan 0.000 0.301 270 P C -0.048 177.170 177.300 -0.136 0.000 1.560 270 P CA 0.588 63.475 63.100 -0.355 0.000 0.784 270 P CB -0.615 31.048 31.700 -0.062 0.000 1.715 271 S N -0.719 114.914 115.700 -0.111 0.000 2.597 271 S HA 0.102 4.572 4.470 0.000 0.000 0.224 271 S C 0.639 175.188 174.600 -0.084 0.000 0.955 271 S CA -0.161 58.013 58.200 -0.042 0.000 0.933 271 S CB -0.353 62.827 63.200 -0.034 0.000 0.788 271 S HN 0.333 nan 8.310 nan 0.000 0.488 272 N N 1.118 119.700 118.700 -0.196 0.000 2.703 272 N HA 0.248 4.988 4.740 0.000 0.000 0.283 272 N C -1.590 173.761 175.510 -0.264 0.000 1.851 272 N CA -0.244 52.666 53.050 -0.234 0.000 0.826 272 N CB 0.171 38.463 38.487 -0.325 0.000 1.239 272 N HN 0.063 nan 8.380 nan 0.000 0.495 273 F N 0.962 120.942 119.950 0.051 0.000 2.434 273 F HA 0.359 4.886 4.527 0.000 0.000 0.355 273 F C 0.767 176.605 175.800 0.064 0.000 1.115 273 F CA -1.056 56.995 58.000 0.085 0.000 1.010 273 F CB 1.606 40.657 39.000 0.084 0.000 1.234 273 F HN -0.040 nan 8.300 nan 0.000 0.439 274 S N 2.320 118.184 115.700 0.274 0.000 2.632 274 S HA 0.784 5.254 4.470 0.000 0.000 0.271 274 S C -0.326 174.425 174.600 0.250 0.000 1.260 274 S CA -0.360 57.959 58.200 0.199 0.000 1.010 274 S CB 0.645 63.918 63.200 0.121 0.000 0.965 274 S HN 0.620 nan 8.310 nan 0.000 0.534 275 S N 1.764 117.590 115.700 0.210 0.000 2.619 275 S HA 0.612 5.082 4.470 0.000 0.000 0.280 275 S C -0.715 174.008 174.600 0.204 0.000 1.150 275 S CA -0.764 57.569 58.200 0.222 0.000 0.978 275 S CB 1.345 64.629 63.200 0.139 0.000 1.041 275 S HN 0.663 nan 8.310 nan 0.000 0.485 276 S N 1.326 117.198 115.700 0.287 0.000 2.607 276 S HA 0.705 5.175 4.470 0.000 0.000 0.303 276 S C -1.651 173.063 174.600 0.189 0.000 1.086 276 S CA -0.626 57.695 58.200 0.203 0.000 0.995 276 S CB 1.019 64.336 63.200 0.196 0.000 1.084 276 S HN 0.696 nan 8.310 nan 0.000 0.507 277 D N 1.529 122.011 120.400 0.137 0.000 2.217 277 D HA 0.440 5.080 4.640 0.000 0.000 0.243 277 D C -0.983 175.394 176.300 0.128 0.000 1.054 277 D CA -0.132 53.945 54.000 0.128 0.000 0.838 277 D CB 1.413 42.268 40.800 0.093 0.000 1.162 277 D HN 0.499 nan 8.370 nan 0.000 0.472 278 C N 2.355 121.744 119.300 0.149 0.000 2.408 278 C HA 0.364 4.824 4.460 0.000 0.000 0.321 278 C C -0.609 174.429 174.990 0.081 0.000 1.245 278 C CA -0.590 58.506 59.018 0.130 0.000 1.523 278 C CB 0.271 28.125 27.740 0.191 0.000 2.178 278 C HN 0.495 nan 8.230 nan 0.000 0.488 279 Q N 4.001 123.832 119.800 0.051 0.000 2.289 279 Q HA 0.473 4.813 4.340 0.000 0.000 0.273 279 Q C 0.163 176.160 176.000 -0.004 0.000 1.029 279 Q CA 1.465 57.281 55.803 0.021 0.000 0.896 279 Q CB 0.308 29.056 28.738 0.016 0.000 1.182 279 Q HN 0.857 nan 8.270 nan 0.000 0.385 280 D N 0.757 121.138 120.400 -0.031 0.000 3.899 280 D HA -0.152 4.488 4.640 0.000 0.000 0.248 280 D C -0.980 175.204 176.300 -0.194 0.000 1.733 280 D CA 0.457 54.408 54.000 -0.082 0.000 1.160 280 D CB -0.498 40.264 40.800 -0.064 0.000 0.789 280 D HN 0.650 nan 8.370 nan 0.000 0.978 281 E N 0.739 120.811 120.200 -0.214 0.000 4.020 281 E HA -0.178 4.172 4.350 0.000 0.000 0.395 281 E C -0.554 175.845 176.600 -0.335 0.000 0.494 281 E CA 1.323 57.578 56.400 -0.242 0.000 1.214 281 E CB -0.067 29.540 29.700 -0.155 0.000 0.554 281 E HN 0.412 nan 8.360 nan 0.000 0.366 282 E N 1.180 121.263 120.200 -0.194 0.000 1.898 282 E HA -0.285 4.065 4.350 0.000 0.000 0.181 282 E C 0.873 177.327 176.600 -0.243 0.000 1.307 282 E CA 1.489 57.789 56.400 -0.166 0.000 0.652 282 E CB -1.362 28.261 29.700 -0.129 0.000 1.036 282 E HN 0.698 nan 8.360 nan 0.000 0.302 283 G N -0.604 108.041 108.800 -0.259 0.000 3.611 283 G HA2 0.086 4.046 3.960 0.000 0.000 0.207 283 G HA3 0.086 4.046 3.960 0.000 0.000 0.207 283 G C 0.790 175.589 174.900 -0.169 0.000 1.548 283 G CA 0.243 45.173 45.100 -0.284 0.000 0.855 283 G HN 0.126 nan 8.290 nan 0.000 0.804 284 R N -0.210 120.176 120.500 -0.190 0.000 2.628 284 R HA -0.064 4.276 4.340 0.000 0.000 0.494 284 R C 0.071 176.312 176.300 -0.098 0.000 0.637 284 R CA 1.574 57.612 56.100 -0.103 0.000 1.264 284 R CB -2.027 28.248 30.300 -0.042 0.000 2.025 284 R HN 0.932 nan 8.270 nan 0.000 0.385 285 K N -2.330 117.957 120.400 -0.188 0.000 4.101 285 K HA 0.121 4.441 4.320 0.000 0.000 0.856 285 K C -0.432 176.239 176.600 0.118 0.000 1.985 285 K CA 0.788 57.020 56.287 -0.092 0.000 1.329 285 K CB -1.487 31.005 32.500 -0.014 0.000 2.479 285 K HN 1.151 nan 8.250 nan 0.000 0.247 286 G N 0.498 109.427 108.800 0.215 0.000 2.375 286 G HA2 0.159 4.119 3.960 0.000 0.000 0.663 286 G HA3 0.159 4.119 3.960 0.000 0.000 0.663 286 G C -1.726 173.374 174.900 0.332 0.000 1.391 286 G CA -0.136 45.129 45.100 0.276 0.000 0.949 286 G HN 0.651 nan 8.290 nan 0.000 0.646 287 N N -0.269 118.556 118.700 0.210 0.000 2.518 287 N HA 0.707 5.447 4.740 0.000 0.000 0.284 287 N C 0.218 175.760 175.510 0.053 0.000 1.230 287 N CA -0.539 52.614 53.050 0.171 0.000 0.941 287 N CB 1.236 39.801 38.487 0.131 0.000 1.219 287 N HN 0.642 nan 8.380 nan 0.000 0.560 288 K N 0.110 120.523 120.400 0.021 0.000 2.210 288 K HA 0.565 4.885 4.320 0.000 0.000 0.236 288 K C -0.843 175.621 176.600 -0.226 0.000 1.016 288 K CA -0.742 55.429 56.287 -0.194 0.000 0.913 288 K CB 0.934 33.276 32.500 -0.264 0.000 1.141 288 K HN 0.148 nan 8.250 nan 0.000 0.462 289 L N 1.391 122.328 121.223 -0.477 0.000 2.354 289 L HA 0.524 4.864 4.340 0.000 0.000 0.269 289 L C -1.014 175.496 176.870 -0.601 0.000 1.005 289 L CA -0.569 54.049 54.840 -0.369 0.000 0.819 289 L CB 1.066 42.936 42.059 -0.314 0.000 1.311 289 L HN 0.649 nan 8.230 nan 0.000 0.423 290 Y N 0.997 121.290 120.300 -0.011 0.000 2.625 290 Y HA 0.496 5.046 4.550 0.000 0.000 0.338 290 Y C -0.943 175.061 175.900 0.173 0.000 1.123 290 Y CA -0.816 57.315 58.100 0.052 0.000 1.046 290 Y CB 2.274 40.762 38.460 0.048 0.000 1.299 290 Y HN 0.427 nan 8.280 nan 0.000 0.464 291 Y N 1.238 121.655 120.300 0.196 0.000 2.499 291 Y HA 0.391 4.941 4.550 0.000 0.000 0.347 291 Y C -0.428 175.407 175.900 -0.108 0.000 0.987 291 Y CA -1.775 56.349 58.100 0.040 0.000 1.044 291 Y CB 1.626 40.025 38.460 -0.103 0.000 1.245 291 Y HN 0.689 nan 8.280 nan 0.000 0.461 292 N N 5.311 123.354 118.700 -1.095 0.000 2.605 292 N HA 0.001 4.741 4.740 0.000 0.000 0.282 292 N C -1.601 173.332 175.510 -0.962 0.000 1.206 292 N CA 0.378 52.914 53.050 -0.856 0.000 1.074 292 N CB -0.664 37.429 38.487 -0.657 0.000 1.434 292 N HN 0.403 nan 8.380 nan 0.000 0.506 293 F N 4.686 124.433 119.950 -0.339 0.000 2.390 293 F HA 0.319 4.846 4.527 0.000 0.000 0.361 293 F C -0.824 174.969 175.800 -0.012 0.000 1.124 293 F CA -2.051 55.876 58.000 -0.121 0.000 1.149 293 F CB 1.284 40.272 39.000 -0.021 0.000 1.160 293 F HN 0.364 nan 8.300 nan 0.000 0.501 294 P HA -0.296 nan 4.420 nan 0.000 0.213 294 P C 1.958 179.400 177.300 0.237 0.000 1.176 294 P CA 1.777 64.987 63.100 0.184 0.000 0.919 294 P CB -0.097 31.727 31.700 0.207 0.000 0.791 295 W N 2.219 123.596 121.300 0.128 0.000 2.304 295 W HA -0.098 4.562 4.660 0.000 0.000 0.315 295 W C 0.304 176.840 176.519 0.028 0.000 1.233 295 W CA 2.768 60.150 57.345 0.062 0.000 1.261 295 W CB -0.722 28.760 29.460 0.037 0.000 1.150 295 W HN 0.121 nan 8.180 nan 0.000 0.494 296 G N 1.092 110.134 108.800 0.402 0.000 1.885 296 G HA2 0.179 4.139 3.960 0.000 0.000 0.309 296 G HA3 0.179 4.139 3.960 0.000 0.000 0.309 296 G C -0.767 174.273 174.900 0.235 0.000 1.751 296 G CA -0.924 44.329 45.100 0.254 0.000 0.949 296 G HN -0.056 nan 8.290 nan 0.000 0.564 297 K N 0.751 121.279 120.400 0.212 0.000 2.552 297 K HA 0.208 4.528 4.320 0.000 0.000 0.276 297 K C -0.089 176.686 176.600 0.290 0.000 0.960 297 K CA 0.540 56.981 56.287 0.256 0.000 0.961 297 K CB 0.573 33.127 32.500 0.091 0.000 0.902 297 K HN 0.472 nan 8.250 nan 0.000 0.515 298 E N 0.813 121.269 120.200 0.428 0.000 2.356 298 E HA 0.254 4.604 4.350 0.000 0.000 0.275 298 E C -1.567 175.236 176.600 0.339 0.000 0.904 298 E CA -0.670 55.927 56.400 0.327 0.000 0.757 298 E CB 1.456 31.288 29.700 0.220 0.000 1.232 298 E HN 0.437 nan 8.360 nan 0.000 0.442 299 L N 5.638 126.965 121.223 0.174 0.000 2.418 299 L HA 0.276 4.616 4.340 0.000 0.000 0.274 299 L C 0.685 177.409 176.870 -0.243 0.000 1.135 299 L CA 0.101 54.794 54.840 -0.245 0.000 0.870 299 L CB 0.207 42.100 42.059 -0.277 0.000 1.154 299 L HN 0.812 nan 8.230 nan 0.000 0.462 300 I N 1.163 121.524 120.570 -0.349 0.000 2.729 300 I HA 0.344 4.514 4.170 0.000 0.000 0.256 300 I C 0.449 176.310 176.117 -0.426 0.000 1.115 300 I CA 0.018 61.092 61.300 -0.377 0.000 1.446 300 I CB 0.246 37.934 38.000 -0.520 0.000 1.176 300 I HN 0.650 nan 8.210 nan 0.000 0.446 301 E N 1.346 121.282 120.200 -0.440 0.000 2.383 301 E HA 0.429 4.779 4.350 0.000 0.000 0.275 301 E C -1.338 175.043 176.600 -0.364 0.000 0.918 301 E CA -0.704 55.491 56.400 -0.341 0.000 0.764 301 E CB 2.130 31.686 29.700 -0.240 0.000 1.252 301 E HN 0.273 nan 8.360 nan 0.000 0.449 302 T N 1.561 115.889 114.554 -0.377 0.000 2.963 302 T HA 0.497 4.847 4.350 0.000 0.000 0.328 302 T C -0.852 173.506 174.700 -0.570 0.000 1.048 302 T CA -0.763 61.011 62.100 -0.542 0.000 1.033 302 T CB 0.205 68.635 68.868 -0.729 0.000 1.010 302 T HN 0.180 nan 8.240 nan 0.000 0.469 303 L N 3.093 124.107 121.223 -0.349 0.000 2.292 303 L HA 0.578 4.918 4.340 0.000 0.000 0.284 303 L C 0.181 177.079 176.870 0.047 0.000 1.065 303 L CA -0.311 54.437 54.840 -0.154 0.000 0.806 303 L CB 0.524 42.572 42.059 -0.019 0.000 1.175 303 L HN 0.705 nan 8.230 nan 0.000 0.431 304 W N 1.634 122.923 121.300 -0.020 0.000 2.600 304 W HA 0.399 5.059 4.660 0.000 0.000 0.517 304 W C 0.170 176.671 176.519 -0.029 0.000 1.750 304 W CA -0.918 56.416 57.345 -0.019 0.000 1.805 304 W CB 0.924 30.374 29.460 -0.017 0.000 2.314 304 W HN 0.321 nan 8.180 nan 0.000 0.726 305 N N 1.381 120.212 118.700 0.218 0.000 2.805 305 N HA 0.143 4.883 4.740 0.000 0.000 0.216 305 N C -1.031 174.483 175.510 0.006 0.000 1.447 305 N CA -0.043 53.049 53.050 0.069 0.000 0.785 305 N CB 0.168 38.678 38.487 0.037 0.000 1.458 305 N HN 0.187 nan 8.380 nan 0.000 0.547 306 L N 0.688 121.928 121.223 0.027 0.000 2.803 306 L HA 0.159 4.499 4.340 0.000 0.000 0.241 306 L C 2.000 178.889 176.870 0.032 0.000 1.404 306 L CA 0.014 54.852 54.840 -0.003 0.000 1.211 306 L CB -0.369 41.692 42.059 0.005 0.000 1.585 306 L HN 0.390 nan 8.230 nan 0.000 0.430 307 G N -0.601 108.216 108.800 0.028 0.000 2.549 307 G HA2 -0.192 3.768 3.960 0.000 0.000 0.222 307 G HA3 -0.192 3.768 3.960 0.000 0.000 0.222 307 G C 0.455 175.393 174.900 0.064 0.000 1.100 307 G CA 0.592 45.715 45.100 0.038 0.000 0.739 307 G HN 0.375 nan 8.290 nan 0.000 0.577 308 D N -0.741 119.725 120.400 0.111 0.000 2.374 308 D HA 0.227 4.867 4.640 0.000 0.000 0.239 308 D C 0.065 176.572 176.300 0.344 0.000 0.991 308 D CA -0.668 53.498 54.000 0.277 0.000 0.960 308 D CB 0.675 41.709 40.800 0.391 0.000 1.284 308 D HN 0.342 nan 8.370 nan 0.000 0.512 309 H N 0.729 119.790 119.070 -0.014 0.000 3.134 309 H HA -0.120 4.436 4.556 0.000 0.000 0.194 309 H C -0.305 174.997 175.328 -0.043 0.000 0.662 309 H CA 0.655 56.693 56.048 -0.017 0.000 1.408 309 H CB -0.428 29.331 29.762 -0.005 0.000 1.463 309 H HN 0.215 nan 8.280 nan 0.000 0.458 310 E N 2.989 123.135 120.200 -0.090 0.000 2.887 310 E HA 0.184 4.534 4.350 0.000 0.000 0.206 310 E C 0.784 177.319 176.600 -0.109 0.000 0.983 310 E CA -0.095 56.200 56.400 -0.175 0.000 1.141 310 E CB 0.253 29.883 29.700 -0.117 0.000 1.061 310 E HN 0.744 nan 8.360 nan 0.000 0.468 311 L N -3.679 117.524 121.223 -0.033 0.000 3.010 311 L HA 0.474 4.814 4.340 0.000 0.000 0.223 311 L C 0.757 177.647 176.870 0.032 0.000 1.864 311 L CA -0.485 54.438 54.840 0.140 0.000 2.442 311 L CB 0.108 42.336 42.059 0.281 0.000 2.319 311 L HN -0.104 nan 8.230 nan 0.000 0.633 312 L N 0.219 121.534 121.223 0.153 0.000 3.629 312 L HA -0.427 3.913 4.340 0.000 0.000 0.053 312 L C 2.391 179.334 176.870 0.122 0.000 4.215 312 L CA 3.077 58.002 54.840 0.141 0.000 0.846 312 L CB -2.289 39.875 42.059 0.175 0.000 3.418 312 L HN 1.094 nan 8.230 nan 0.000 0.742 313 H N -0.952 118.138 119.070 0.033 0.000 2.267 313 H HA -0.227 4.329 4.556 0.000 0.000 0.297 313 H C 2.188 177.436 175.328 -0.134 0.000 1.080 313 H CA 2.017 58.047 56.048 -0.030 0.000 1.278 313 H CB -0.260 29.486 29.762 -0.026 0.000 1.365 313 H HN 0.512 nan 8.280 nan 0.000 0.489 314 M N 0.509 119.842 119.600 -0.445 0.000 2.146 314 M HA -0.226 4.254 4.480 0.000 0.000 0.256 314 M C -0.149 175.633 176.300 -0.863 0.000 1.075 314 M CA 1.865 56.732 55.300 -0.722 0.000 1.082 314 M CB 0.082 32.013 32.600 -1.115 0.000 1.355 314 M HN 0.379 nan 8.290 nan 0.000 0.402 315 Y N -0.794 119.529 120.300 0.039 0.000 2.592 315 Y HA 0.444 4.994 4.550 0.000 0.000 0.354 315 Y C -2.390 173.546 175.900 0.059 0.000 1.063 315 Y CA -2.756 55.373 58.100 0.048 0.000 1.205 315 Y CB -0.014 38.469 38.460 0.037 0.000 1.106 315 Y HN 0.125 nan 8.280 nan 0.000 0.649 316 P HA 0.581 nan 4.420 nan 0.000 0.344 316 P C 0.786 178.141 177.300 0.092 0.000 1.282 316 P CA 0.576 63.740 63.100 0.107 0.000 0.769 316 P CB 2.075 33.825 31.700 0.084 0.000 1.561 317 G N -0.006 108.834 108.800 0.066 0.000 2.950 317 G HA2 -0.289 3.671 3.960 0.000 0.000 0.299 317 G HA3 -0.289 3.671 3.960 0.000 0.000 0.299 317 G C 0.233 175.165 174.900 0.054 0.000 1.310 317 G CA 0.352 45.483 45.100 0.053 0.000 0.994 317 G HN 0.736 nan 8.290 nan 0.000 0.575 318 N N 1.269 120.004 118.700 0.059 0.000 3.229 318 N HA 0.365 5.105 4.740 0.000 0.000 0.275 318 N C 1.528 177.088 175.510 0.083 0.000 1.225 318 N CA 0.332 53.418 53.050 0.059 0.000 1.119 318 N CB 0.883 39.399 38.487 0.049 0.000 1.392 318 N HN 0.541 nan 8.380 nan 0.000 0.520 319 V N 1.821 121.790 119.914 0.091 0.000 2.428 319 V HA -0.284 3.836 4.120 0.000 0.000 0.255 319 V C 1.687 177.902 176.094 0.202 0.000 1.080 319 V CA 2.076 64.451 62.300 0.124 0.000 1.083 319 V CB -0.277 31.605 31.823 0.099 0.000 0.665 319 V HN 0.544 nan 8.190 nan 0.000 0.461 320 S N -0.003 115.811 115.700 0.190 0.000 2.528 320 S HA -0.167 4.303 4.470 0.000 0.000 0.244 320 S C 1.647 176.441 174.600 0.322 0.000 0.982 320 S CA 1.454 59.852 58.200 0.330 0.000 0.953 320 S CB -0.361 62.931 63.200 0.152 0.000 0.754 320 S HN 0.934 nan 8.310 nan 0.000 0.529 321 K N 0.547 121.021 120.400 0.123 0.000 2.228 321 K HA 0.097 4.417 4.320 0.000 0.000 0.202 321 K C 1.268 177.767 176.600 -0.168 0.000 1.051 321 K CA 0.527 56.801 56.287 -0.022 0.000 0.960 321 K CB -0.118 32.380 32.500 -0.002 0.000 0.743 321 K HN 0.260 nan 8.250 nan 0.000 0.458 322 L N 0.683 121.849 121.223 -0.095 0.000 2.583 322 L HA 0.136 4.476 4.340 0.000 0.000 0.165 322 L C 0.332 177.008 176.870 -0.324 0.000 1.560 322 L CA -0.043 54.741 54.840 -0.094 0.000 3.120 322 L CB -0.591 41.535 42.059 0.111 0.000 2.974 322 L HN 0.435 nan 8.230 nan 0.000 0.955 323 H N -1.675 117.470 119.070 0.125 0.000 2.795 323 H HA -0.121 4.435 4.556 0.000 0.000 0.312 323 H C -0.366 175.024 175.328 0.104 0.000 1.004 323 H CA 0.073 56.171 56.048 0.084 0.000 1.124 323 H CB -1.429 28.363 29.762 0.050 0.000 1.014 323 H HN 0.598 nan 8.280 nan 0.000 0.778 324 G N 0.670 109.669 108.800 0.333 0.000 3.356 324 G HA2 0.715 4.675 3.960 0.000 0.000 0.178 324 G HA3 0.715 4.675 3.960 0.000 0.000 0.178 324 G C -0.556 174.509 174.900 0.276 0.000 1.175 324 G CA -0.496 44.756 45.100 0.253 0.000 0.840 324 G HN 1.045 nan 8.290 nan 0.000 0.658 325 R N -0.164 120.455 120.500 0.198 0.000 2.663 325 R HA 0.357 4.697 4.340 0.000 0.000 0.267 325 R C -0.726 175.664 176.300 0.151 0.000 1.038 325 R CA -0.531 55.664 56.100 0.160 0.000 0.886 325 R CB 1.334 31.718 30.300 0.141 0.000 1.249 325 R HN 0.476 nan 8.270 nan 0.000 0.463 326 D N 0.214 120.689 120.400 0.125 0.000 2.149 326 D HA 0.117 4.757 4.640 0.000 0.000 0.206 326 D C 1.048 177.424 176.300 0.127 0.000 0.967 326 D CA 2.357 56.432 54.000 0.126 0.000 0.848 326 D CB 0.319 41.176 40.800 0.095 0.000 0.998 326 D HN 0.813 nan 8.370 nan 0.000 0.474 327 G N -0.804 108.059 108.800 0.106 0.000 4.142 327 G HA2 -0.001 3.959 3.960 0.000 0.000 0.200 327 G HA3 -0.001 3.959 3.960 0.000 0.000 0.200 327 G C 1.340 176.287 174.900 0.078 0.000 0.811 327 G CA -0.035 45.123 45.100 0.098 0.000 0.855 327 G HN 0.238 nan 8.290 nan 0.000 0.455 328 R N -0.492 120.049 120.500 0.070 0.000 2.637 328 R HA 0.270 4.610 4.340 0.000 0.000 0.262 328 R C -0.084 176.248 176.300 0.053 0.000 0.959 328 R CA -0.103 56.031 56.100 0.056 0.000 1.061 328 R CB 0.963 31.290 30.300 0.045 0.000 1.610 328 R HN 0.031 nan 8.270 nan 0.000 0.548 329 K N 2.782 123.216 120.400 0.056 0.000 2.274 329 K HA 0.212 4.532 4.320 0.000 0.000 0.262 329 K C -0.723 175.907 176.600 0.051 0.000 0.961 329 K CA -0.781 55.532 56.287 0.043 0.000 0.833 329 K CB 1.434 33.951 32.500 0.028 0.000 1.102 329 K HN 0.080 nan 8.250 nan 0.000 0.436 330 N N 2.131 120.850 118.700 0.031 0.000 2.458 330 N HA 0.102 4.842 4.740 0.000 0.000 0.258 330 N C -0.312 175.123 175.510 -0.125 0.000 1.219 330 N CA -0.165 52.891 53.050 0.009 0.000 0.902 330 N CB 1.023 39.463 38.487 -0.078 0.000 1.076 330 N HN 0.344 nan 8.380 nan 0.000 0.455 331 V N -1.365 118.515 119.914 -0.057 0.000 3.225 331 V HA 0.461 4.581 4.120 0.000 0.000 0.293 331 V C -1.188 174.984 176.094 0.130 0.000 1.405 331 V CA -1.206 61.064 62.300 -0.049 0.000 1.038 331 V CB 1.397 33.244 31.823 0.041 0.000 1.123 331 V HN 0.511 nan 8.190 nan 0.000 0.447 332 V N 5.573 125.555 119.914 0.114 0.000 2.364 332 V HA 0.664 4.784 4.120 0.000 0.000 0.272 332 V C -1.703 174.447 176.094 0.094 0.000 1.036 332 V CA -1.435 60.974 62.300 0.181 0.000 0.880 332 V CB 1.176 33.085 31.823 0.143 0.000 0.991 332 V HN 1.092 nan 8.190 nan 0.000 0.460 333 P HA 0.147 nan 4.420 nan 0.000 0.274 333 P C -0.067 177.246 177.300 0.023 0.000 1.264 333 P CA -0.210 62.925 63.100 0.059 0.000 0.795 333 P CB 0.692 32.431 31.700 0.064 0.000 1.064 334 C N -0.942 118.389 119.300 0.052 0.000 2.345 334 C HA 0.490 4.950 4.460 0.000 0.000 0.369 334 C C 0.453 175.460 174.990 0.028 0.000 1.273 334 C CA -0.376 58.667 59.018 0.041 0.000 2.310 334 C CB 1.076 28.847 27.740 0.052 0.000 2.219 334 C HN 0.269 nan 8.230 nan 0.000 0.587 335 V N 1.983 121.914 119.914 0.028 0.000 2.581 335 V HA 0.671 4.791 4.120 0.000 0.000 0.303 335 V C -0.267 175.851 176.094 0.040 0.000 1.041 335 V CA -0.362 61.955 62.300 0.028 0.000 0.907 335 V CB 1.424 33.261 31.823 0.023 0.000 0.994 335 V HN 0.754 nan 8.190 nan 0.000 0.442 336 L N 2.708 123.959 121.223 0.047 0.000 2.359 336 L HA 0.898 5.238 4.340 0.000 0.000 0.256 336 L C -0.686 176.229 176.870 0.075 0.000 1.026 336 L CA -0.151 54.714 54.840 0.042 0.000 0.828 336 L CB 2.514 44.540 42.059 -0.056 0.000 1.406 336 L HN 0.676 nan 8.230 nan 0.000 0.413 337 S N 1.512 117.266 115.700 0.090 0.000 2.672 337 S HA 0.662 5.132 4.470 0.000 0.000 0.291 337 S C -1.250 173.353 174.600 0.006 0.000 1.145 337 S CA -0.421 57.818 58.200 0.065 0.000 1.013 337 S CB 1.538 64.799 63.200 0.102 0.000 1.017 337 S HN 0.430 nan 8.310 nan 0.000 0.487 338 V N 6.191 126.112 119.914 0.013 0.000 2.405 338 V HA 0.439 4.559 4.120 0.000 0.000 0.253 338 V C -0.411 175.685 176.094 0.003 0.000 0.963 338 V CA -0.558 61.758 62.300 0.027 0.000 1.003 338 V CB -0.269 31.625 31.823 0.117 0.000 1.251 338 V HN 0.863 nan 8.190 nan 0.000 0.520 339 N N 1.050 119.697 118.700 -0.089 0.000 2.262 339 N HA 0.875 5.615 4.740 0.000 0.000 0.295 339 N C -0.258 175.141 175.510 -0.184 0.000 1.161 339 N CA -0.659 52.315 53.050 -0.127 0.000 0.767 339 N CB 2.865 41.279 38.487 -0.121 0.000 1.499 339 N HN 0.552 nan 8.380 nan 0.000 0.476 340 G N 0.288 108.983 108.800 -0.175 0.000 2.616 340 G HA2 0.299 4.259 3.960 0.000 0.000 0.294 340 G HA3 0.299 4.259 3.960 0.000 0.000 0.294 340 G C -2.251 172.543 174.900 -0.176 0.000 1.489 340 G CA -0.696 44.279 45.100 -0.210 0.000 0.836 340 G HN 0.617 nan 8.290 nan 0.000 0.527 341 D N 1.222 121.521 120.400 -0.168 0.000 2.193 341 D HA 0.274 4.914 4.640 0.000 0.000 0.244 341 D C 1.452 177.681 176.300 -0.117 0.000 1.064 341 D CA -1.004 52.908 54.000 -0.146 0.000 0.845 341 D CB 1.948 42.669 40.800 -0.132 0.000 1.148 341 D HN 0.236 nan 8.370 nan 0.000 0.464 342 L N 1.585 122.739 121.223 -0.114 0.000 2.013 342 L HA -0.204 4.136 4.340 0.000 0.000 0.212 342 L C 1.424 178.273 176.870 -0.036 0.000 1.073 342 L CA 2.186 56.993 54.840 -0.055 0.000 0.753 342 L CB -0.854 41.142 42.059 -0.105 0.000 0.890 342 L HN 0.626 nan 8.230 nan 0.000 0.432 343 D N 0.392 120.745 120.400 -0.078 0.000 2.585 343 D HA -0.277 4.363 4.640 0.000 0.000 0.190 343 D C 1.937 178.264 176.300 0.044 0.000 1.057 343 D CA 2.269 56.236 54.000 -0.055 0.000 0.900 343 D CB -0.022 40.772 40.800 -0.010 0.000 0.900 343 D HN 0.495 nan 8.370 nan 0.000 0.463 344 R N -0.610 119.902 120.500 0.020 0.000 2.397 344 R HA 0.301 4.641 4.340 0.000 0.000 0.241 344 R C 2.172 178.494 176.300 0.037 0.000 0.914 344 R CA 0.784 56.900 56.100 0.027 0.000 1.071 344 R CB -1.367 28.913 30.300 -0.033 0.000 1.116 344 R HN 0.166 nan 8.270 nan 0.000 0.524 345 G N 2.343 111.167 108.800 0.039 0.000 2.501 345 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 345 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 345 G C 1.484 176.505 174.900 0.202 0.000 1.114 345 G CA 1.009 46.159 45.100 0.083 0.000 0.757 345 G HN 0.438 nan 8.290 nan 0.000 0.559 346 M N -0.993 118.714 119.600 0.179 0.000 2.486 346 M HA 0.349 4.829 4.480 0.000 0.000 0.264 346 M C 2.157 178.564 176.300 0.179 0.000 1.125 346 M CA 0.237 55.661 55.300 0.206 0.000 1.144 346 M CB -0.442 32.256 32.600 0.165 0.000 1.353 346 M HN -0.022 nan 8.290 nan 0.000 0.466 347 L N 1.939 123.242 121.223 0.134 0.000 2.013 347 L HA -0.172 4.168 4.340 0.000 0.000 0.212 347 L C 2.695 179.673 176.870 0.179 0.000 1.073 347 L CA 2.571 57.480 54.840 0.115 0.000 0.753 347 L CB -1.154 40.933 42.059 0.046 0.000 0.890 347 L HN 0.423 nan 8.230 nan 0.000 0.432 348 A N -1.260 121.651 122.820 0.151 0.000 1.828 348 A HA -0.288 4.032 4.320 0.000 0.000 0.215 348 A C 2.080 179.611 177.584 -0.088 0.000 1.203 348 A CA 1.451 53.493 52.037 0.008 0.000 0.614 348 A CB -1.378 17.458 19.000 -0.274 0.000 0.844 348 A HN 0.446 nan 8.150 nan 0.000 0.445 349 Y N -0.020 120.219 120.300 -0.103 0.000 2.332 349 Y HA -0.202 4.348 4.550 0.000 0.000 0.283 349 Y C 2.063 177.997 175.900 0.058 0.000 1.186 349 Y CA 1.345 59.439 58.100 -0.010 0.000 1.266 349 Y CB -0.063 38.451 38.460 0.090 0.000 0.973 349 Y HN 0.313 nan 8.280 nan 0.000 0.548 350 L N -1.253 120.131 121.223 0.268 0.000 2.622 350 L HA -0.213 4.127 4.340 0.000 0.000 0.233 350 L C 0.742 177.830 176.870 0.363 0.000 1.156 350 L CA 1.756 56.738 54.840 0.237 0.000 0.866 350 L CB -0.765 41.403 42.059 0.182 0.000 0.980 350 L HN 0.256 nan 8.230 nan 0.000 0.448 351 Y N -0.352 120.023 120.300 0.126 0.000 2.581 351 Y HA -0.008 4.542 4.550 0.000 0.000 0.271 351 Y C 2.189 178.187 175.900 0.163 0.000 1.100 351 Y CA 0.440 58.654 58.100 0.190 0.000 1.281 351 Y CB 0.072 38.723 38.460 0.319 0.000 1.237 351 Y HN 0.362 nan 8.280 nan 0.000 0.514 352 D N -0.139 120.386 120.400 0.209 0.000 2.182 352 D HA -0.186 4.454 4.640 0.000 0.000 0.201 352 D C 1.960 178.330 176.300 0.115 0.000 0.986 352 D CA 1.656 55.731 54.000 0.125 0.000 0.847 352 D CB -0.019 40.804 40.800 0.039 0.000 0.942 352 D HN 0.263 nan 8.370 nan 0.000 0.467 353 S N -0.024 115.763 115.700 0.145 0.000 2.482 353 S HA -0.238 4.232 4.470 0.000 0.000 0.226 353 S C 1.084 175.777 174.600 0.156 0.000 1.048 353 S CA 0.342 58.624 58.200 0.137 0.000 1.158 353 S CB -1.272 61.998 63.200 0.118 0.000 1.130 353 S HN 0.276 nan 8.310 nan 0.000 0.413 354 F N 3.469 123.377 119.950 -0.070 0.000 2.696 354 F HA 0.205 4.732 4.527 0.000 0.000 0.319 354 F C 0.956 176.713 175.800 -0.071 0.000 1.218 354 F CA -0.467 57.478 58.000 -0.093 0.000 1.369 354 F CB 0.009 38.905 39.000 -0.174 0.000 1.111 354 F HN 0.461 nan 8.300 nan 0.000 0.615 370 K N 3.601 124.040 120.400 0.065 0.000 2.588 370 K HA 0.418 4.738 4.320 0.000 0.000 0.250 370 K C -1.667 174.974 176.600 0.068 0.000 0.972 370 K CA -0.798 55.532 56.287 0.073 0.000 0.821 370 K CB 2.306 34.829 32.500 0.039 0.000 1.249 370 K HN 0.289 nan 8.250 nan 0.000 0.442 371 V N 3.718 123.693 119.914 0.101 0.000 2.808 371 V HA 0.556 4.676 4.120 0.000 0.000 0.308 371 V C -2.002 174.154 176.094 0.103 0.000 1.099 371 V CA -0.880 61.469 62.300 0.082 0.000 0.920 371 V CB 2.045 33.910 31.823 0.071 0.000 1.014 371 V HN 0.635 nan 8.190 nan 0.000 0.425 372 L N 6.776 128.032 121.223 0.055 0.000 2.377 372 L HA 0.576 4.916 4.340 0.000 0.000 0.270 372 L C 0.065 176.965 176.870 0.051 0.000 0.991 372 L CA -0.097 54.772 54.840 0.049 0.000 0.851 372 L CB 1.660 43.701 42.059 -0.029 0.000 1.218 372 L HN 0.555 nan 8.230 nan 0.000 0.420 373 K N 3.471 123.914 120.400 0.071 0.000 2.118 373 K HA 0.768 5.088 4.320 0.000 0.000 0.264 373 K C -0.941 175.696 176.600 0.063 0.000 1.000 373 K CA -0.594 55.722 56.287 0.048 0.000 0.929 373 K CB 1.660 34.187 32.500 0.046 0.000 1.021 373 K HN 0.372 nan 8.250 nan 0.000 0.463 374 L N 0.725 121.979 121.223 0.053 0.000 2.465 374 L HA 0.196 4.536 4.340 0.000 0.000 0.257 374 L C -0.668 176.270 176.870 0.114 0.000 0.988 374 L CA -1.004 53.891 54.840 0.092 0.000 0.827 374 L CB 2.088 44.196 42.059 0.082 0.000 1.397 374 L HN 0.697 nan 8.230 nan 0.000 0.410 375 H N 5.089 124.192 119.070 0.054 0.000 3.145 375 H HA 0.053 4.609 4.556 0.000 0.000 0.263 375 H C -1.812 173.526 175.328 0.016 0.000 1.057 375 H CA -1.406 54.670 56.048 0.046 0.000 1.477 375 H CB 0.733 30.522 29.762 0.045 0.000 1.529 375 H HN 0.302 nan 8.280 nan 0.000 0.508 376 P HA -0.377 nan 4.420 nan 0.000 0.229 376 P C 1.672 179.068 177.300 0.160 0.000 0.791 376 P CA 2.729 65.936 63.100 0.178 0.000 1.091 376 P CB -0.753 31.087 31.700 0.233 0.000 0.715 377 C N -2.215 117.198 119.300 0.188 0.000 2.400 377 C HA -0.177 4.283 4.460 0.000 0.000 0.278 377 C C 2.810 177.802 174.990 0.003 0.000 1.183 377 C CA 0.971 60.037 59.018 0.080 0.000 1.837 377 C CB -2.651 25.127 27.740 0.063 0.000 2.129 377 C HN 0.150 nan 8.230 nan 0.000 0.485 378 L N 1.679 122.887 121.223 -0.024 0.000 2.084 378 L HA 0.287 4.627 4.340 0.000 0.000 0.202 378 L C 2.053 178.917 176.870 -0.010 0.000 1.074 378 L CA 1.313 56.099 54.840 -0.090 0.000 0.757 378 L CB -1.494 40.427 42.059 -0.231 0.000 0.918 378 L HN 0.332 nan 8.230 nan 0.000 0.444 379 A N 1.056 123.894 122.820 0.029 0.000 2.494 379 A HA -0.114 4.206 4.320 0.000 0.000 0.291 379 A C -1.301 176.303 177.584 0.035 0.000 0.951 379 A CA -0.366 51.699 52.037 0.048 0.000 1.099 379 A CB -1.029 17.985 19.000 0.024 0.000 0.783 379 A HN 0.211 nan 8.150 nan 0.000 0.433 380 P HA -0.233 nan 4.420 nan 0.000 0.222 380 P C 0.557 177.854 177.300 -0.004 0.000 1.147 380 P CA 2.149 65.257 63.100 0.014 0.000 0.958 380 P CB -0.287 31.393 31.700 -0.032 0.000 0.788 381 I N -5.173 115.392 120.570 -0.008 0.000 2.783 381 I HA 0.387 4.557 4.170 0.000 0.000 0.312 381 I C 1.222 177.331 176.117 -0.013 0.000 0.988 381 I CA -0.510 60.789 61.300 -0.003 0.000 1.182 381 I CB 0.675 38.682 38.000 0.013 0.000 1.368 381 I HN -0.388 nan 8.210 nan 0.000 0.511 382 K N 1.084 121.476 120.400 -0.013 0.000 2.306 382 K HA 0.505 4.825 4.320 0.000 0.000 0.200 382 K C -0.075 176.529 176.600 0.006 0.000 1.083 382 K CA 0.540 56.819 56.287 -0.014 0.000 0.959 382 K CB 0.568 33.060 32.500 -0.014 0.000 0.994 382 K HN 0.527 nan 8.250 nan 0.000 0.492 383 V N -1.539 118.388 119.914 0.021 0.000 3.203 383 V HA 0.832 4.952 4.120 0.000 0.000 0.305 383 V C -1.923 174.223 176.094 0.088 0.000 1.361 383 V CA -0.392 61.950 62.300 0.070 0.000 1.066 383 V CB 2.072 33.966 31.823 0.119 0.000 1.085 383 V HN 0.121 nan 8.190 nan 0.000 0.456 384 A N 1.729 124.624 122.820 0.125 0.000 2.588 384 A HA 1.040 5.360 4.320 0.000 0.000 0.290 384 A C -1.345 176.411 177.584 0.288 0.000 1.136 384 A CA -0.008 52.155 52.037 0.210 0.000 0.681 384 A CB 1.751 20.688 19.000 -0.105 0.000 1.282 384 A HN 2.190 nan 8.150 nan 0.000 0.421 385 L N -2.953 118.496 121.223 0.377 0.000 3.133 385 L HA 0.852 5.192 4.340 0.000 0.000 0.280 385 L C -1.694 175.353 176.870 0.295 0.000 1.009 385 L CA -0.860 54.164 54.840 0.308 0.000 0.982 385 L CB 1.461 43.644 42.059 0.207 0.000 1.530 385 L HN 0.782 nan 8.230 nan 0.000 0.394 386 D N -0.629 119.891 120.400 0.200 0.000 2.946 386 D HA 0.593 5.233 4.640 0.000 0.000 0.337 386 D C -1.228 175.128 176.300 0.094 0.000 1.332 386 D CA 0.411 54.506 54.000 0.160 0.000 0.935 386 D CB 2.492 43.405 40.800 0.188 0.000 1.440 386 D HN 0.748 nan 8.370 nan 0.000 0.540 387 V N -2.024 117.941 119.914 0.085 0.000 3.369 387 V HA 1.027 5.147 4.120 0.000 0.000 0.309 387 V C 0.412 176.531 176.094 0.042 0.000 1.069 387 V CA 0.164 62.499 62.300 0.058 0.000 1.042 387 V CB 1.002 32.865 31.823 0.066 0.000 1.192 387 V HN 0.864 nan 8.190 nan 0.000 0.447 388 G N -0.367 108.453 108.800 0.034 0.000 2.405 388 G HA2 0.496 4.456 3.960 0.000 0.000 0.303 388 G HA3 0.496 4.456 3.960 0.000 0.000 0.303 388 G C -0.303 174.622 174.900 0.040 0.000 1.644 388 G CA -0.149 44.971 45.100 0.034 0.000 0.899 388 G HN 0.998 nan 8.290 nan 0.000 0.667 389 R N -0.533 119.993 120.500 0.043 0.000 3.793 389 R HA -0.279 4.061 4.340 0.000 0.000 0.318 389 R C 2.193 178.514 176.300 0.035 0.000 0.729 389 R CA 3.258 59.385 56.100 0.044 0.000 1.731 389 R CB -2.012 28.327 30.300 0.066 0.000 1.879 389 R HN 1.812 nan 8.270 nan 0.000 0.498 390 G N 1.546 110.366 108.800 0.033 0.000 2.721 390 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 390 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 390 G C -0.730 174.184 174.900 0.024 0.000 1.265 390 G CA 2.005 47.121 45.100 0.028 0.000 0.796 390 G HN 0.489 nan 8.290 nan 0.000 0.620 391 P HA 0.206 nan 4.420 nan 0.000 0.220 391 P C 0.615 177.932 177.300 0.028 0.000 1.051 391 P CA 0.459 63.575 63.100 0.027 0.000 1.049 391 P CB 0.294 32.009 31.700 0.025 0.000 0.926 392 T N 2.117 116.684 114.554 0.022 0.000 2.855 392 T HA 0.185 4.535 4.350 0.000 0.000 0.322 392 T C 1.115 175.829 174.700 0.023 0.000 1.088 392 T CA 0.547 62.660 62.100 0.020 0.000 1.104 392 T CB -0.314 68.561 68.868 0.011 0.000 0.996 392 T HN 0.028 nan 8.240 nan 0.000 0.549 393 L N -0.579 120.659 121.223 0.025 0.000 6.453 393 L HA -0.334 4.006 4.340 0.000 0.000 0.053 393 L C 2.100 178.992 176.870 0.037 0.000 2.386 393 L CA 1.344 56.200 54.840 0.028 0.000 1.514 393 L CB -1.198 40.871 42.059 0.018 0.000 2.896 393 L HN 0.718 nan 8.230 nan 0.000 1.076 394 E N -0.373 119.844 120.200 0.027 0.000 2.114 394 E HA -0.290 4.060 4.350 0.000 0.000 0.199 394 E C 1.827 178.441 176.600 0.025 0.000 1.008 394 E CA 2.222 58.637 56.400 0.025 0.000 0.810 394 E CB -0.083 29.628 29.700 0.018 0.000 0.739 394 E HN 0.356 nan 8.360 nan 0.000 0.456 395 L N 1.155 122.393 121.223 0.026 0.000 2.017 395 L HA -0.186 4.154 4.340 0.000 0.000 0.208 395 L C 2.378 179.262 176.870 0.022 0.000 1.073 395 L CA 1.970 56.823 54.840 0.022 0.000 0.745 395 L CB -0.528 41.545 42.059 0.024 0.000 0.894 395 L HN 0.011 nan 8.230 nan 0.000 0.432 396 R N -0.900 119.624 120.500 0.040 0.000 2.091 396 R HA -0.203 4.137 4.340 0.000 0.000 0.238 396 R C 2.246 178.559 176.300 0.023 0.000 1.136 396 R CA 1.994 58.128 56.100 0.058 0.000 0.959 396 R CB -0.261 30.115 30.300 0.128 0.000 0.856 396 R HN 0.576 nan 8.270 nan 0.000 0.437 397 Q N -0.318 119.507 119.800 0.043 0.000 2.124 397 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 397 Q C 2.151 178.142 176.000 -0.016 0.000 0.977 397 Q CA 1.625 57.441 55.803 0.022 0.000 0.850 397 Q CB 0.112 28.872 28.738 0.037 0.000 0.901 397 Q HN 0.232 nan 8.270 nan 0.000 0.429 398 V N 0.181 120.092 119.914 -0.005 0.000 2.427 398 V HA -0.285 3.835 4.120 0.000 0.000 0.248 398 V C 2.311 178.397 176.094 -0.014 0.000 1.051 398 V CA 1.423 63.720 62.300 -0.005 0.000 1.048 398 V CB -0.550 31.276 31.823 0.004 0.000 0.666 398 V HN 0.510 nan 8.190 nan 0.000 0.456 399 C N -0.594 118.689 119.300 -0.028 0.000 2.429 399 C HA -0.169 4.291 4.460 0.000 0.000 0.277 399 C C 2.849 177.811 174.990 -0.047 0.000 1.262 399 C CA 0.674 59.676 59.018 -0.027 0.000 1.733 399 C CB -1.009 26.709 27.740 -0.036 0.000 2.010 399 C HN 0.511 nan 8.230 nan 0.000 0.483 400 Q N 0.938 120.641 119.800 -0.163 0.000 2.079 400 Q HA 0.026 4.366 4.340 0.000 0.000 0.200 400 Q C 2.476 178.445 176.000 -0.052 0.000 0.974 400 Q CA 1.966 57.621 55.803 -0.246 0.000 0.840 400 Q CB -0.968 27.503 28.738 -0.445 0.000 0.898 400 Q HN 0.698 nan 8.270 nan 0.000 0.430 401 G N 0.190 108.972 108.800 -0.030 0.000 2.418 401 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 401 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 401 G C 1.349 176.279 174.900 0.049 0.000 1.158 401 G CA 0.708 45.816 45.100 0.014 0.000 0.771 401 G HN 0.294 nan 8.290 nan 0.000 0.545 402 L N -0.707 120.543 121.223 0.046 0.000 2.012 402 L HA -0.063 4.277 4.340 0.000 0.000 0.210 402 L C 2.564 179.483 176.870 0.080 0.000 1.073 402 L CA 1.384 56.254 54.840 0.050 0.000 0.748 402 L CB -0.581 41.502 42.059 0.041 0.000 0.891 402 L HN 0.271 nan 8.230 nan 0.000 0.431 403 F N 1.599 121.516 119.950 -0.054 0.000 2.065 403 F HA -0.325 4.202 4.527 0.000 0.000 0.298 403 F C 2.371 178.146 175.800 -0.042 0.000 1.112 403 F CA 2.010 59.978 58.000 -0.053 0.000 1.212 403 F CB -0.193 38.745 39.000 -0.102 0.000 0.975 403 F HN 0.156 nan 8.300 nan 0.000 0.476 404 N N 0.516 119.410 118.700 0.324 0.000 2.120 404 N HA -0.208 4.532 4.740 0.000 0.000 0.188 404 N C 1.744 177.291 175.510 0.061 0.000 1.024 404 N CA 1.515 54.686 53.050 0.203 0.000 0.852 404 N CB -0.688 37.875 38.487 0.126 0.000 1.003 404 N HN 0.405 nan 8.380 nan 0.000 0.424 405 E N 0.893 121.115 120.200 0.036 0.000 2.051 405 E HA -0.061 4.289 4.350 0.000 0.000 0.192 405 E C 1.737 178.321 176.600 -0.026 0.000 0.991 405 E CA 0.745 57.149 56.400 0.006 0.000 0.799 405 E CB -0.296 29.410 29.700 0.010 0.000 0.748 405 E HN 0.128 nan 8.360 nan 0.000 0.449 406 L N 0.305 121.492 121.223 -0.061 0.000 2.131 406 L HA -0.129 4.211 4.340 0.000 0.000 0.210 406 L C 2.417 179.210 176.870 -0.130 0.000 1.092 406 L CA 1.147 55.926 54.840 -0.103 0.000 0.759 406 L CB -1.243 40.721 42.059 -0.158 0.000 0.903 406 L HN 0.325 nan 8.230 nan 0.000 0.435 407 L N 0.069 121.200 121.223 -0.153 0.000 2.109 407 L HA -0.134 4.206 4.340 0.000 0.000 0.207 407 L C 2.409 179.247 176.870 -0.053 0.000 1.086 407 L CA 1.460 56.226 54.840 -0.124 0.000 0.760 407 L CB -0.466 41.543 42.059 -0.083 0.000 0.910 407 L HN 0.228 nan 8.230 nan 0.000 0.437 408 E N -0.266 119.916 120.200 -0.029 0.000 2.070 408 E HA -0.252 4.098 4.350 0.000 0.000 0.197 408 E C 1.711 178.298 176.600 -0.021 0.000 1.004 408 E CA 1.636 58.027 56.400 -0.016 0.000 0.805 408 E CB -0.209 29.487 29.700 -0.007 0.000 0.744 408 E HN 0.584 nan 8.360 nan 0.000 0.451 409 N N -0.827 117.857 118.700 -0.027 0.000 2.251 409 N HA -0.000 4.740 4.740 0.000 0.000 0.181 409 N C 0.782 176.273 175.510 -0.030 0.000 1.019 409 N CA 1.295 54.331 53.050 -0.024 0.000 0.862 409 N CB 0.670 39.145 38.487 -0.020 0.000 0.992 409 N HN 0.233 nan 8.380 nan 0.000 0.429 410 G N 0.007 108.782 108.800 -0.042 0.000 2.885 410 G HA2 0.209 4.169 3.960 0.000 0.000 0.233 410 G HA3 0.209 4.169 3.960 0.000 0.000 0.233 410 G C -1.350 173.518 174.900 -0.052 0.000 2.964 410 G CA -0.635 44.439 45.100 -0.043 0.000 0.824 410 G HN 0.046 nan 8.290 nan 0.000 0.441 411 I N 1.317 121.840 120.570 -0.079 0.000 2.571 411 I HA 0.433 4.603 4.170 0.000 0.000 0.286 411 I C 0.547 176.577 176.117 -0.146 0.000 1.134 411 I CA -1.002 60.243 61.300 -0.091 0.000 1.052 411 I CB 1.696 39.642 38.000 -0.089 0.000 1.237 411 I HN 0.328 nan 8.210 nan 0.000 0.435 412 S N 4.693 120.330 115.700 -0.106 0.000 2.576 412 S HA 0.850 5.320 4.470 0.000 0.000 0.272 412 S C 0.088 174.593 174.600 -0.159 0.000 1.352 412 S CA -0.416 57.718 58.200 -0.109 0.000 1.021 412 S CB 1.179 64.361 63.200 -0.031 0.000 0.887 412 S HN 0.532 nan 8.310 nan 0.000 0.542 413 V N -0.706 119.117 119.914 -0.151 0.000 3.187 413 V HA 0.655 4.775 4.120 0.000 0.000 0.303 413 V C -1.648 174.720 176.094 0.457 0.000 1.529 413 V CA -1.060 61.207 62.300 -0.054 0.000 1.042 413 V CB 1.825 33.370 31.823 -0.464 0.000 1.089 413 V HN 1.118 nan 8.190 nan 0.000 0.471 414 W N 3.525 125.045 121.300 0.367 0.000 3.423 414 W HA 0.619 5.279 4.660 0.000 0.000 0.330 414 W C -3.646 172.980 176.519 0.179 0.000 1.102 414 W CA -1.393 56.117 57.345 0.275 0.000 1.261 414 W CB 2.110 31.600 29.460 0.051 0.000 1.283 414 W HN 0.494 nan 8.180 nan 0.000 0.447 415 P HA 0.568 nan 4.420 nan 0.000 0.288 415 P C -0.083 177.088 177.300 -0.215 0.000 1.297 415 P CA -0.296 62.728 63.100 -0.126 0.000 0.864 415 P CB 2.979 34.437 31.700 -0.402 0.000 1.237 416 G N -0.160 108.675 108.800 0.059 0.000 4.683 416 G HA2 0.293 4.253 3.960 0.000 0.000 0.273 416 G HA3 0.293 4.253 3.960 0.000 0.000 0.273 416 G C -0.251 174.766 174.900 0.194 0.000 1.065 416 G CA -0.179 45.013 45.100 0.153 0.000 0.837 416 G HN 0.473 nan 8.290 nan 0.000 0.526 417 Y N -0.662 119.590 120.300 -0.080 0.000 2.289 417 Y HA 0.647 5.197 4.550 0.000 0.000 0.332 417 Y C 1.354 177.211 175.900 -0.072 0.000 1.324 417 Y CA -1.448 56.614 58.100 -0.064 0.000 1.478 417 Y CB 0.442 38.855 38.460 -0.079 0.000 1.378 417 Y HN 0.330 nan 8.280 nan 0.000 0.558 418 L N -1.595 119.515 121.223 -0.189 0.000 3.888 418 L HA -0.388 3.952 4.340 0.000 0.000 0.362 418 L C 0.642 177.420 176.870 -0.153 0.000 0.963 418 L CA 1.783 56.436 54.840 -0.312 0.000 2.926 418 L CB -1.284 40.409 42.059 -0.609 0.000 0.851 418 L HN 0.937 nan 8.230 nan 0.000 0.728 419 E N 0.895 121.028 120.200 -0.112 0.000 2.820 419 E HA -0.155 4.195 4.350 0.000 0.000 0.251 419 E C 0.812 177.404 176.600 -0.013 0.000 0.944 419 E CA 0.819 57.196 56.400 -0.037 0.000 0.955 419 E CB 0.698 30.413 29.700 0.026 0.000 0.904 419 E HN 0.301 nan 8.360 nan 0.000 0.513 420 T N 5.075 119.619 114.554 -0.018 0.000 3.317 420 T HA 0.118 4.468 4.350 0.000 0.000 0.250 420 T C 0.129 174.832 174.700 0.005 0.000 1.106 420 T CA -0.012 62.082 62.100 -0.010 0.000 0.986 420 T CB -0.316 68.540 68.868 -0.020 0.000 1.010 420 T HN 0.478 nan 8.240 nan 0.000 0.560 421 M N -0.873 118.737 119.600 0.018 0.000 2.470 421 M HA 0.443 4.923 4.480 0.000 0.000 0.285 421 M C 0.593 176.909 176.300 0.027 0.000 1.213 421 M CA -0.986 54.326 55.300 0.020 0.000 0.901 421 M CB 1.941 34.554 32.600 0.021 0.000 1.718 421 M HN -0.198 nan 8.290 nan 0.000 0.469 422 Q N 1.599 121.409 119.800 0.017 0.000 2.369 422 Q HA -0.036 4.304 4.340 0.000 0.000 0.206 422 Q C 0.530 176.534 176.000 0.006 0.000 0.963 422 Q CA 1.832 57.642 55.803 0.011 0.000 0.894 422 Q CB 0.102 28.840 28.738 0.000 0.000 0.965 422 Q HN 1.118 nan 8.270 nan 0.000 0.475 423 S N -1.474 114.234 115.700 0.013 0.000 3.350 423 S HA -0.345 4.125 4.470 0.000 0.000 0.341 423 S C 0.322 174.913 174.600 -0.016 0.000 1.176 423 S CA 0.761 58.969 58.200 0.014 0.000 0.972 423 S CB -2.702 60.524 63.200 0.044 0.000 0.953 423 S HN 0.949 nan 8.310 nan 0.000 0.565 424 S N -0.194 115.490 115.700 -0.027 0.000 3.514 424 S HA -0.206 4.264 4.470 0.000 0.000 0.634 424 S C 0.396 174.929 174.600 -0.110 0.000 2.489 424 S CA 1.262 59.432 58.200 -0.050 0.000 2.771 424 S CB -1.344 61.834 63.200 -0.037 0.000 0.328 424 S HN 1.826 nan 8.310 nan 0.000 1.714 425 L N -0.453 120.681 121.223 -0.149 0.000 3.316 425 L HA 0.475 4.815 4.340 0.000 0.000 0.300 425 L C 1.005 177.686 176.870 -0.315 0.000 1.128 425 L CA 0.505 55.154 54.840 -0.318 0.000 1.111 425 L CB 0.081 41.991 42.059 -0.248 0.000 1.687 425 L HN 0.650 nan 8.230 nan 0.000 0.594 426 E N -0.636 119.506 120.200 -0.098 0.000 2.526 426 E HA 0.080 4.430 4.350 0.000 0.000 0.208 426 E C 1.133 177.738 176.600 0.009 0.000 0.997 426 E CA -0.014 56.395 56.400 0.015 0.000 0.961 426 E CB 0.653 30.380 29.700 0.044 0.000 1.030 426 E HN 0.329 nan 8.360 nan 0.000 0.483 427 Q N -0.077 119.708 119.800 -0.024 0.000 2.317 427 Q HA 0.159 4.499 4.340 0.000 0.000 0.220 427 Q C 1.141 177.138 176.000 -0.004 0.000 0.873 427 Q CA 0.204 56.006 55.803 -0.002 0.000 0.936 427 Q CB 0.507 29.244 28.738 -0.002 0.000 1.105 427 Q HN 0.260 nan 8.270 nan 0.000 0.520 428 L N -0.994 120.194 121.223 -0.059 0.000 2.470 428 L HA 0.133 4.473 4.340 0.000 0.000 0.219 428 L C 1.303 178.085 176.870 -0.147 0.000 1.071 428 L CA 0.984 55.788 54.840 -0.059 0.000 0.850 428 L CB -0.028 41.964 42.059 -0.112 0.000 1.040 428 L HN 0.189 nan 8.230 nan 0.000 0.475 429 Y N -1.607 118.488 120.300 -0.342 0.000 2.395 429 Y HA -0.120 4.430 4.550 0.000 0.000 0.293 429 Y C 2.662 178.440 175.900 -0.203 0.000 1.123 429 Y CA 0.606 58.376 58.100 -0.551 0.000 1.227 429 Y CB 0.365 38.602 38.460 -0.372 0.000 1.012 429 Y HN 0.229 nan 8.280 nan 0.000 0.552 430 S N 0.335 116.080 115.700 0.075 0.000 2.423 430 S HA -0.159 4.311 4.470 0.000 0.000 0.231 430 S C 2.094 176.755 174.600 0.100 0.000 1.014 430 S CA 0.939 59.183 58.200 0.073 0.000 0.965 430 S CB -0.183 63.049 63.200 0.054 0.000 0.785 430 S HN 0.351 nan 8.310 nan 0.000 0.495 431 K N -0.394 120.091 120.400 0.141 0.000 2.217 431 K HA -0.097 4.223 4.320 0.000 0.000 0.202 431 K C 1.356 178.080 176.600 0.208 0.000 1.051 431 K CA 1.076 57.451 56.287 0.148 0.000 0.952 431 K CB -0.341 32.240 32.500 0.136 0.000 0.736 431 K HN 0.393 nan 8.250 nan 0.000 0.453 432 Y N 2.363 122.652 120.300 -0.018 0.000 2.200 432 Y HA -0.156 4.394 4.550 0.000 0.000 0.290 432 Y C 1.911 177.787 175.900 -0.040 0.000 1.137 432 Y CA 1.159 59.233 58.100 -0.043 0.000 1.163 432 Y CB -0.756 37.712 38.460 0.014 0.000 0.988 432 Y HN 0.204 nan 8.280 nan 0.000 0.518 433 D N 0.024 120.523 120.400 0.166 0.000 2.095 433 D HA -0.167 4.473 4.640 0.000 0.000 0.192 433 D C 2.030 178.360 176.300 0.051 0.000 0.990 433 D CA 1.762 55.808 54.000 0.077 0.000 0.836 433 D CB -0.477 40.359 40.800 0.060 0.000 0.979 433 D HN 0.352 nan 8.370 nan 0.000 0.447 434 E N -0.362 119.866 120.200 0.045 0.000 2.171 434 E HA -0.126 4.224 4.350 0.000 0.000 0.197 434 E C 1.440 178.064 176.600 0.039 0.000 0.997 434 E CA 0.677 57.087 56.400 0.016 0.000 0.810 434 E CB -0.101 29.610 29.700 0.019 0.000 0.738 434 E HN 0.314 nan 8.360 nan 0.000 0.467 435 M N 0.492 120.114 119.600 0.037 0.000 2.571 435 M HA 0.054 4.534 4.480 0.000 0.000 0.235 435 M C 0.597 176.921 176.300 0.040 0.000 1.216 435 M CA -0.108 55.206 55.300 0.023 0.000 0.979 435 M CB 0.366 32.885 32.600 -0.135 0.000 1.616 435 M HN -0.156 nan 8.290 nan 0.000 0.469 436 S N 1.605 117.336 115.700 0.052 0.000 3.229 436 S HA -0.169 4.301 4.470 0.000 0.000 0.327 436 S C 0.490 175.099 174.600 0.016 0.000 0.828 436 S CA 0.111 58.337 58.200 0.043 0.000 1.288 436 S CB -1.115 62.123 63.200 0.063 0.000 0.835 436 S HN 0.430 nan 8.310 nan 0.000 0.443 437 I N 0.172 120.724 120.570 -0.030 0.000 2.590 437 I HA 0.114 4.284 4.170 0.000 0.000 0.167 437 I C 1.839 177.882 176.117 -0.123 0.000 1.434 437 I CA -0.102 61.145 61.300 -0.089 0.000 0.559 437 I CB -0.055 37.845 38.000 -0.167 0.000 1.902 437 I HN 0.354 nan 8.210 nan 0.000 1.069 438 L N -2.585 118.520 121.223 -0.196 0.000 2.406 438 L HA 0.259 4.599 4.340 0.000 0.000 0.228 438 L C -0.114 176.337 176.870 -0.698 0.000 1.081 438 L CA 0.025 54.584 54.840 -0.469 0.000 1.089 438 L CB 0.418 42.148 42.059 -0.549 0.000 2.191 438 L HN 0.330 nan 8.230 nan 0.000 0.520 439 F N -0.621 119.305 119.950 -0.040 0.000 3.342 439 F HA 0.735 5.262 4.527 0.000 0.000 0.323 439 F C -0.097 175.765 175.800 0.103 0.000 1.398 439 F CA -0.577 57.419 58.000 -0.007 0.000 1.025 439 F CB 0.921 39.899 39.000 -0.037 0.000 1.638 439 F HN -0.288 nan 8.300 nan 0.000 0.473 440 T N -0.596 114.195 114.554 0.395 0.000 2.636 440 T HA 0.529 4.879 4.350 0.000 0.000 0.298 440 T C -1.983 172.874 174.700 0.262 0.000 1.849 440 T CA -0.631 61.696 62.100 0.379 0.000 0.963 440 T CB 1.552 70.754 68.868 0.556 0.000 1.907 440 T HN 0.926 nan 8.240 nan 0.000 0.496 441 V N -0.062 119.994 119.914 0.237 0.000 3.029 441 V HA 0.415 4.535 4.120 0.000 0.000 0.253 441 V C -0.503 175.628 176.094 0.062 0.000 0.859 441 V CA -0.765 61.603 62.300 0.113 0.000 0.970 441 V CB 0.538 32.410 31.823 0.081 0.000 1.003 441 V HN 0.845 nan 8.190 nan 0.000 0.507 442 L N 3.557 124.788 121.223 0.013 0.000 2.617 442 L HA 0.209 4.549 4.340 0.000 0.000 0.282 442 L C 0.305 177.024 176.870 -0.252 0.000 1.174 442 L CA 0.122 54.912 54.840 -0.082 0.000 1.016 442 L CB 0.741 42.756 42.059 -0.072 0.000 1.337 442 L HN 0.611 nan 8.230 nan 0.000 0.460 443 V N 3.100 122.949 119.914 -0.108 0.000 2.572 443 V HA 0.190 4.310 4.120 0.000 0.000 0.291 443 V C 0.785 176.830 176.094 -0.082 0.000 1.039 443 V CA -0.069 62.170 62.300 -0.101 0.000 1.055 443 V CB 0.820 32.627 31.823 -0.027 0.000 0.969 443 V HN 0.844 nan 8.190 nan 0.000 0.482 444 T N 0.443 114.955 114.554 -0.070 0.000 2.716 444 T HA 0.422 4.772 4.350 0.000 0.000 0.286 444 T C 0.615 175.341 174.700 0.044 0.000 1.052 444 T CA -0.482 61.630 62.100 0.019 0.000 1.024 444 T CB 1.953 70.893 68.868 0.120 0.000 1.349 444 T HN 0.519 nan 8.240 nan 0.000 0.525 445 E N -0.334 119.902 120.200 0.059 0.000 2.299 445 E HA -0.008 4.342 4.350 0.000 0.000 0.193 445 E C 1.219 177.852 176.600 0.056 0.000 0.998 445 E CA 0.464 56.893 56.400 0.048 0.000 0.851 445 E CB 0.029 29.753 29.700 0.039 0.000 0.795 445 E HN 0.690 nan 8.360 nan 0.000 0.492 446 T N -0.477 114.128 114.554 0.085 0.000 3.667 446 T HA 0.063 4.413 4.350 0.000 0.000 0.240 446 T C 0.237 174.993 174.700 0.092 0.000 0.919 446 T CA 0.809 62.958 62.100 0.082 0.000 0.928 446 T CB -0.298 68.622 68.868 0.088 0.000 1.151 446 T HN 0.085 nan 8.240 nan 0.000 0.644 447 T N -0.294 114.299 114.554 0.065 0.000 3.245 447 T HA 0.160 4.510 4.350 0.000 0.000 0.261 447 T C 1.383 176.103 174.700 0.034 0.000 0.842 447 T CA -0.372 61.759 62.100 0.051 0.000 0.858 447 T CB -0.378 68.515 68.868 0.041 0.000 1.262 447 T HN 0.310 nan 8.240 nan 0.000 0.587 448 L N 2.093 123.335 121.223 0.031 0.000 2.353 448 L HA -0.007 4.333 4.340 0.000 0.000 0.220 448 L C 1.875 178.758 176.870 0.022 0.000 1.133 448 L CA 1.772 56.626 54.840 0.024 0.000 0.798 448 L CB 0.015 42.087 42.059 0.022 0.000 0.922 448 L HN 0.474 nan 8.230 nan 0.000 0.445 449 E N -2.273 117.942 120.200 0.024 0.000 2.601 449 E HA 0.010 4.360 4.350 0.000 0.000 0.219 449 E C 0.976 177.590 176.600 0.023 0.000 0.964 449 E CA 0.169 56.582 56.400 0.021 0.000 1.050 449 E CB 0.142 29.853 29.700 0.019 0.000 1.068 449 E HN 0.481 nan 8.360 nan 0.000 0.496 450 N N 0.667 119.385 118.700 0.029 0.000 2.559 450 N HA 0.102 4.842 4.740 0.000 0.000 0.247 450 N C 1.275 176.810 175.510 0.043 0.000 1.063 450 N CA 0.723 53.794 53.050 0.035 0.000 0.876 450 N CB 0.588 39.097 38.487 0.037 0.000 1.608 450 N HN 0.234 nan 8.380 nan 0.000 0.467 451 G N 1.194 110.019 108.800 0.041 0.000 2.207 451 G HA2 -0.079 3.881 3.960 0.000 0.000 0.216 451 G HA3 -0.079 3.881 3.960 0.000 0.000 0.216 451 G C -1.044 173.882 174.900 0.044 0.000 1.053 451 G CA -0.161 44.963 45.100 0.040 0.000 0.764 451 G HN 0.255 nan 8.290 nan 0.000 0.495 452 L N 1.741 122.988 121.223 0.040 0.000 2.372 452 L HA 0.584 4.924 4.340 0.000 0.000 0.274 452 L C 0.529 177.433 176.870 0.056 0.000 0.988 452 L CA -1.173 53.682 54.840 0.025 0.000 0.833 452 L CB 1.132 43.198 42.059 0.012 0.000 1.236 452 L HN 0.375 nan 8.230 nan 0.000 0.410 453 I N 0.710 121.280 120.570 -0.000 0.000 2.566 453 I HA 0.459 4.629 4.170 0.000 0.000 0.303 453 I C -0.314 175.810 176.117 0.011 0.000 0.983 453 I CA -0.298 60.953 61.300 -0.081 0.000 1.235 453 I CB 1.450 39.380 38.000 -0.118 0.000 1.386 453 I HN 0.491 nan 8.210 nan 0.000 0.494 454 H N 6.133 125.208 119.070 0.009 0.000 2.556 454 H HA 0.632 5.188 4.556 0.000 0.000 0.310 454 H C -0.163 175.198 175.328 0.054 0.000 1.057 454 H CA -0.945 55.112 56.048 0.015 0.000 1.264 454 H CB 1.365 31.146 29.762 0.031 0.000 1.404 454 H HN 0.800 nan 8.280 nan 0.000 0.462 455 L N 0.854 122.136 121.223 0.099 0.000 2.279 455 L HA 0.793 5.133 4.340 0.000 0.000 0.262 455 L C -0.577 176.354 176.870 0.101 0.000 1.019 455 L CA -1.170 53.727 54.840 0.096 0.000 0.823 455 L CB 2.469 44.544 42.059 0.027 0.000 1.358 455 L HN 0.390 nan 8.230 nan 0.000 0.432 456 R N -0.028 120.549 120.500 0.129 0.000 3.212 456 R HA 0.732 5.072 4.340 0.000 0.000 0.240 456 R C -1.162 175.315 176.300 0.295 0.000 1.470 456 R CA -0.837 55.328 56.100 0.109 0.000 1.041 456 R CB 1.514 31.777 30.300 -0.062 0.000 1.494 456 R HN 0.760 nan 8.270 nan 0.000 0.502 457 S N -0.686 115.137 115.700 0.205 0.000 2.607 457 S HA 0.330 4.801 4.470 0.000 0.000 0.273 457 S C -1.144 173.431 174.600 -0.042 0.000 1.148 457 S CA -0.735 57.571 58.200 0.177 0.000 0.833 457 S CB 1.760 65.097 63.200 0.228 0.000 1.130 457 S HN 0.502 nan 8.310 nan 0.000 0.470 458 R N 1.721 122.135 120.500 -0.144 0.000 3.585 458 R HA 0.285 4.625 4.340 0.000 0.000 0.324 458 R C -0.973 175.293 176.300 -0.058 0.000 1.372 458 R CA -0.018 56.027 56.100 -0.092 0.000 1.291 458 R CB -0.757 29.494 30.300 -0.082 0.000 1.470 458 R HN 0.669 nan 8.270 nan 0.000 0.633 459 D N -1.330 119.051 120.400 -0.031 0.000 2.900 459 D HA 0.009 4.649 4.640 0.000 0.000 0.175 459 D C -0.182 176.124 176.300 0.011 0.000 1.476 459 D CA 0.206 54.207 54.000 0.001 0.000 1.488 459 D CB 0.503 41.315 40.800 0.020 0.000 1.426 459 D HN 0.090 nan 8.370 nan 0.000 0.295 460 T N 0.318 114.887 114.554 0.024 0.000 2.829 460 T HA 0.406 4.756 4.350 0.000 0.000 0.280 460 T C -0.964 173.747 174.700 0.018 0.000 0.999 460 T CA -0.221 61.893 62.100 0.023 0.000 0.983 460 T CB 1.644 70.534 68.868 0.037 0.000 0.968 460 T HN -0.089 nan 8.240 nan 0.000 0.446 461 T N 5.359 119.914 114.554 0.002 0.000 2.733 461 T HA 0.594 4.944 4.350 0.000 0.000 0.294 461 T C -0.274 174.434 174.700 0.012 0.000 0.956 461 T CA -0.488 61.606 62.100 -0.010 0.000 0.987 461 T CB -0.167 68.677 68.868 -0.041 0.000 0.920 461 T HN 0.628 nan 8.240 nan 0.000 0.470 462 M N 4.944 124.560 119.600 0.027 0.000 2.073 462 M HA 0.315 4.795 4.480 0.000 0.000 0.218 462 M C -0.569 175.753 176.300 0.037 0.000 0.949 462 M CA -0.886 54.433 55.300 0.033 0.000 0.722 462 M CB 1.122 33.748 32.600 0.043 0.000 1.762 462 M HN 0.339 nan 8.290 nan 0.000 0.348 463 K N 2.092 122.512 120.400 0.033 0.000 2.440 463 K HA 0.026 4.346 4.320 0.000 0.000 0.275 463 K C -0.004 176.618 176.600 0.037 0.000 1.082 463 K CA 0.705 57.021 56.287 0.048 0.000 1.135 463 K CB 0.179 32.717 32.500 0.063 0.000 0.864 463 K HN 0.443 nan 8.250 nan 0.000 0.479 464 E N 2.009 122.230 120.200 0.035 0.000 2.254 464 E HA 0.434 4.784 4.350 0.000 0.000 0.258 464 E C -0.397 176.203 176.600 -0.000 0.000 1.033 464 E CA -1.049 55.352 56.400 0.002 0.000 0.893 464 E CB 1.073 30.761 29.700 -0.021 0.000 1.204 464 E HN 0.269 nan 8.360 nan 0.000 0.425 465 M N 1.285 120.856 119.600 -0.048 0.000 2.598 465 M HA 0.540 5.020 4.480 0.000 0.000 0.317 465 M C -0.396 175.805 176.300 -0.165 0.000 1.179 465 M CA -0.199 55.063 55.300 -0.062 0.000 0.936 465 M CB 1.886 34.441 32.600 -0.074 0.000 1.713 465 M HN 0.459 nan 8.290 nan 0.000 0.460 466 M N 0.433 119.915 119.600 -0.197 0.000 2.605 466 M HA 0.347 4.827 4.480 0.000 0.000 0.281 466 M C -1.654 174.475 176.300 -0.284 0.000 1.166 466 M CA -0.656 54.449 55.300 -0.325 0.000 0.875 466 M CB 1.883 34.297 32.600 -0.310 0.000 1.732 466 M HN 0.711 nan 8.290 nan 0.000 0.504 467 H N 4.115 123.113 119.070 -0.119 0.000 3.291 467 H HA 0.215 4.771 4.556 0.000 0.000 0.256 467 H C -0.130 175.144 175.328 -0.091 0.000 1.315 467 H CA 0.201 56.197 56.048 -0.086 0.000 1.521 467 H CB -0.323 29.390 29.762 -0.081 0.000 1.621 467 H HN 0.559 nan 8.280 nan 0.000 0.498 468 I N 3.822 124.406 120.570 0.023 0.000 2.593 468 I HA -0.131 4.039 4.170 0.000 0.000 0.304 468 I C 0.315 176.445 176.117 0.021 0.000 1.176 468 I CA 0.614 61.915 61.300 0.003 0.000 1.533 468 I CB -0.453 37.545 38.000 -0.004 0.000 1.492 468 I HN 0.672 nan 8.210 nan 0.000 0.704 469 S N 3.792 119.505 115.700 0.022 0.000 6.368 469 S HA -0.069 4.401 4.470 0.000 0.000 0.099 469 S C 1.194 175.810 174.600 0.026 0.000 1.212 469 S CA -0.292 57.920 58.200 0.021 0.000 1.376 469 S CB -0.403 62.806 63.200 0.016 0.000 1.894 469 S HN 0.450 nan 8.310 nan 0.000 0.547 470 K N 1.260 121.673 120.400 0.021 0.000 2.520 470 K HA 0.096 4.416 4.320 0.000 0.000 0.197 470 K C 1.645 178.289 176.600 0.072 0.000 1.044 470 K CA 1.001 57.306 56.287 0.029 0.000 0.938 470 K CB -0.489 32.017 32.500 0.009 0.000 0.767 470 K HN 0.378 nan 8.250 nan 0.000 0.481 471 L N 1.096 122.357 121.223 0.062 0.000 2.556 471 L HA -0.196 4.144 4.340 0.000 0.000 0.230 471 L C 1.701 178.670 176.870 0.167 0.000 1.163 471 L CA 1.681 56.602 54.840 0.137 0.000 0.819 471 L CB -0.536 41.566 42.059 0.072 0.000 0.939 471 L HN 0.158 nan 8.230 nan 0.000 0.452 472 K N -0.654 119.806 120.400 0.098 0.000 1.975 472 K HA -0.107 4.213 4.320 0.000 0.000 0.210 472 K C 1.611 178.255 176.600 0.074 0.000 1.041 472 K CA 1.975 58.300 56.287 0.063 0.000 0.942 472 K CB -0.776 31.745 32.500 0.036 0.000 0.729 472 K HN 0.276 nan 8.250 nan 0.000 0.439 473 D N -0.287 120.162 120.400 0.082 0.000 2.392 473 D HA -0.060 4.580 4.640 0.000 0.000 0.228 473 D C 0.072 176.449 176.300 0.130 0.000 1.003 473 D CA 0.373 54.419 54.000 0.078 0.000 0.917 473 D CB -0.087 40.752 40.800 0.065 0.000 0.890 473 D HN 0.146 nan 8.370 nan 0.000 0.532 474 F N 0.425 120.372 119.950 -0.004 0.000 2.375 474 F HA 0.203 4.730 4.527 0.000 0.000 0.313 474 F C 1.431 177.231 175.800 -0.001 0.000 1.176 474 F CA -0.501 57.494 58.000 -0.009 0.000 1.142 474 F CB 0.548 39.523 39.000 -0.042 0.000 1.275 474 F HN -0.107 nan 8.300 nan 0.000 0.544 475 L N 0.764 121.323 121.223 -1.107 0.000 3.246 475 L HA -0.423 3.917 4.340 0.000 0.000 0.368 475 L C 1.856 178.589 176.870 -0.229 0.000 3.893 475 L CA 1.245 55.661 54.840 -0.707 0.000 1.714 475 L CB -1.608 40.216 42.059 -0.392 0.000 3.108 475 L HN 0.613 nan 8.230 nan 0.000 0.819 476 I N 0.398 120.897 120.570 -0.119 0.000 2.182 476 I HA -0.339 3.831 4.170 0.000 0.000 0.248 476 I C 2.543 178.652 176.117 -0.014 0.000 1.073 476 I CA 2.206 63.485 61.300 -0.035 0.000 1.335 476 I CB -1.300 36.694 38.000 -0.010 0.000 1.031 476 I HN 0.506 nan 8.210 nan 0.000 0.420 477 K N 0.390 120.777 120.400 -0.022 0.000 1.967 477 K HA -0.202 4.118 4.320 0.000 0.000 0.212 477 K C 2.224 178.843 176.600 0.032 0.000 1.044 477 K CA 1.415 57.712 56.287 0.017 0.000 0.942 477 K CB -1.308 31.227 32.500 0.058 0.000 0.726 477 K HN 0.268 nan 8.250 nan 0.000 0.440 478 Y N 1.512 121.731 120.300 -0.134 0.000 2.298 478 Y HA -0.227 4.323 4.550 0.000 0.000 0.287 478 Y C 1.929 177.809 175.900 -0.033 0.000 1.164 478 Y CA 0.884 58.941 58.100 -0.071 0.000 1.229 478 Y CB -0.115 38.282 38.460 -0.104 0.000 0.977 478 Y HN -0.034 nan 8.280 nan 0.000 0.538 479 I N -1.355 119.310 120.570 0.158 0.000 2.315 479 I HA -0.203 3.967 4.170 0.000 0.000 0.233 479 I C 2.777 178.933 176.117 0.066 0.000 1.067 479 I CA 1.722 63.093 61.300 0.118 0.000 1.376 479 I CB -1.416 36.617 38.000 0.054 0.000 1.143 479 I HN 0.083 nan 8.210 nan 0.000 0.421 480 S N -0.579 115.143 115.700 0.036 0.000 2.387 480 S HA -0.225 4.245 4.470 0.000 0.000 0.230 480 S C 2.200 176.815 174.600 0.025 0.000 1.035 480 S CA 2.129 60.345 58.200 0.027 0.000 1.014 480 S CB -0.431 62.777 63.200 0.014 0.000 0.836 480 S HN 0.393 nan 8.310 nan 0.000 0.466 481 S N -0.362 115.341 115.700 0.006 0.000 2.562 481 S HA 0.366 4.836 4.470 0.000 0.000 0.221 481 S C 1.568 176.140 174.600 -0.046 0.000 0.975 481 S CA 0.609 58.796 58.200 -0.021 0.000 0.918 481 S CB -0.261 62.915 63.200 -0.040 0.000 0.772 481 S HN 0.627 nan 8.310 nan 0.000 0.531 482 A N 0.630 123.434 122.820 -0.027 0.000 2.169 482 A HA 0.187 4.507 4.320 0.000 0.000 0.212 482 A C 1.866 179.500 177.584 0.083 0.000 1.153 482 A CA 0.566 52.578 52.037 -0.041 0.000 0.756 482 A CB -0.196 18.808 19.000 0.006 0.000 0.813 482 A HN 0.421 nan 8.150 nan 0.000 0.471 483 K N -0.314 120.159 120.400 0.122 0.000 2.444 483 K HA 0.003 4.323 4.320 0.000 0.000 0.193 483 K C 0.605 177.385 176.600 0.300 0.000 1.024 483 K CA 0.257 56.675 56.287 0.220 0.000 1.077 483 K CB -0.031 32.559 32.500 0.149 0.000 0.833 483 K HN 0.480 nan 8.250 nan 0.000 0.517 484 N N 0.221 118.988 118.700 0.112 0.000 2.227 484 N HA -0.056 4.684 4.740 0.000 0.000 0.203 484 N C 0.597 175.956 175.510 -0.252 0.000 1.037 484 N CA 0.273 53.293 53.050 -0.050 0.000 1.005 484 N CB -0.661 37.779 38.487 -0.079 0.000 1.214 484 N HN -0.234 nan 8.380 nan 0.000 0.527 485 V N 0.000 119.796 119.914 -0.197 0.000 2.409 485 V HA 0.000 4.120 4.120 0.000 0.000 0.244 485 V CA 0.000 62.175 62.300 -0.208 0.000 1.235 485 V CB 0.000 31.745 31.823 -0.130 0.000 1.184 485 V HN 0.000 nan 8.190 nan 0.000 0.556