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 1sev_1_B DATA FIRST_RESID 44 DATA SEQUENCE GFKVAILGAA GGIGQPLAML MKMNPLVSVL HLYDVVNAPG VTADISHMDT DATA SEQUENCE GAVVRGFLGQ QQLEAALTGM DLIIVPAGVP RKPGMTRDDL FKINAGIVKT DATA SEQUENCE LCEGIAKCCP RAIVNLISNP VNSTVPIAAE VFKKAGTYDP KRLLGVTMLD DATA SEQUENCE VVRANTFVAE VLGLDPRDVD VPVVGGHAGV TILPLLSQVK PPSSFTQEEI DATA SEQUENCE SYLTDRIQNG GTEVVEAKAG AGSATLSMAY AAVKFADACL RGLRGDAGVI DATA SEQUENCE ECAFVSSQVT ELPFFASKVR LGRNGIEEVY SLGPLNEYER IGLEKAKKEL DATA SEQUENCE AGSIEKGVSF IRS 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 44 G HA2 0.000 nan 3.960 nan 0.000 0.244 44 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 44 G C 0.000 174.386 174.900 -0.856 0.000 0.946 44 G CA 0.000 44.751 45.100 -0.582 0.000 0.502 45 F N 0.487 120.416 119.950 -0.035 0.000 2.557 45 F HA 0.688 5.216 4.527 0.001 0.000 0.336 45 F C 0.572 176.338 175.800 -0.057 0.000 1.058 45 F CA -0.743 57.228 58.000 -0.047 0.000 0.988 45 F CB 1.907 40.876 39.000 -0.051 0.000 1.275 45 F HN 0.032 nan 8.300 nan 0.000 0.488 46 K N 1.284 121.764 120.400 0.133 0.000 2.213 46 K HA 0.681 5.001 4.320 0.001 0.000 0.270 46 K C -1.435 175.155 176.600 -0.017 0.000 1.002 46 K CA -0.620 55.661 56.287 -0.011 0.000 0.868 46 K CB 1.982 34.431 32.500 -0.084 0.000 1.093 46 K HN 0.305 nan 8.250 nan 0.000 0.454 47 V N 1.752 121.641 119.914 -0.041 0.000 2.656 47 V HA 0.635 4.755 4.120 0.001 0.000 0.307 47 V C -0.714 175.374 176.094 -0.009 0.000 1.051 47 V CA -0.933 61.359 62.300 -0.013 0.000 0.893 47 V CB 1.766 33.605 31.823 0.027 0.000 0.999 47 V HN 0.910 nan 8.190 nan 0.000 0.426 48 A N 5.167 127.992 122.820 0.009 0.000 2.365 48 A HA 0.944 5.264 4.320 0.001 0.000 0.318 48 A C -0.986 176.647 177.584 0.081 0.000 1.091 48 A CA -0.579 51.497 52.037 0.065 0.000 0.763 48 A CB 1.174 20.184 19.000 0.018 0.000 1.248 48 A HN 0.759 nan 8.150 nan 0.000 0.442 49 I N 2.568 123.215 120.570 0.129 0.000 2.410 49 I HA 0.265 4.435 4.170 0.001 0.000 0.286 49 I C -0.904 175.317 176.117 0.173 0.000 1.009 49 I CA -0.258 61.116 61.300 0.123 0.000 1.111 49 I CB 1.599 39.668 38.000 0.114 0.000 1.262 49 I HN 0.473 nan 8.210 nan 0.000 0.443 50 L N 6.577 127.896 121.223 0.161 0.000 2.259 50 L HA 0.539 4.879 4.340 0.001 0.000 0.288 50 L C 0.870 177.863 176.870 0.204 0.000 1.051 50 L CA -0.271 54.724 54.840 0.258 0.000 0.824 50 L CB 0.839 42.992 42.059 0.157 0.000 1.206 50 L HN 1.008 nan 8.230 nan 0.000 0.429 51 G N 2.126 111.041 108.800 0.192 0.000 2.181 51 G HA2 -0.180 3.780 3.960 0.001 0.000 0.152 51 G HA3 -0.180 3.780 3.960 0.001 0.000 0.152 51 G C 0.786 175.720 174.900 0.056 0.000 1.026 51 G CA -0.000 45.150 45.100 0.084 0.000 0.699 51 G HN 0.765 nan 8.290 nan 0.000 0.497 52 A N -0.405 122.456 122.820 0.067 0.000 2.131 52 A HA 0.400 4.721 4.320 0.001 0.000 0.220 52 A C 2.471 180.070 177.584 0.024 0.000 1.158 52 A CA 2.245 54.316 52.037 0.057 0.000 0.665 52 A CB -0.231 18.819 19.000 0.083 0.000 0.795 52 A HN 1.837 nan 8.150 nan 0.000 0.460 53 A N -0.762 122.057 122.820 -0.002 0.000 2.238 53 A HA 0.499 4.819 4.320 0.001 0.000 0.210 53 A C 1.379 178.958 177.584 -0.008 0.000 1.179 53 A CA 0.671 52.700 52.037 -0.014 0.000 0.827 53 A CB -0.570 18.408 19.000 -0.038 0.000 0.856 53 A HN 0.637 nan 8.150 nan 0.000 0.488 54 G N -1.611 107.189 108.800 0.001 0.000 2.588 54 G HA2 0.392 4.353 3.960 0.001 0.000 0.278 54 G HA3 0.392 4.353 3.960 0.001 0.000 0.278 54 G C 1.142 176.048 174.900 0.009 0.000 1.307 54 G CA 0.041 45.143 45.100 0.003 0.000 1.016 54 G HN 0.388 nan 8.290 nan 0.000 0.503 55 G N -0.670 108.135 108.800 0.009 0.000 2.476 55 G HA2 -0.219 3.742 3.960 0.001 0.000 0.218 55 G HA3 -0.219 3.742 3.960 0.001 0.000 0.218 55 G C 1.585 176.497 174.900 0.021 0.000 1.164 55 G CA 1.132 46.239 45.100 0.012 0.000 0.768 55 G HN 0.480 nan 8.290 nan 0.000 0.560 56 I N 0.909 121.493 120.570 0.024 0.000 2.277 56 I HA 0.009 4.180 4.170 0.001 0.000 0.243 56 I C 3.158 179.297 176.117 0.038 0.000 1.094 56 I CA 0.802 62.122 61.300 0.033 0.000 1.393 56 I CB -0.851 37.169 38.000 0.034 0.000 1.078 56 I HN 0.241 nan 8.210 nan 0.000 0.417 57 G N 0.633 109.454 108.800 0.035 0.000 2.513 57 G HA2 -0.299 3.662 3.960 0.001 0.000 0.219 57 G HA3 -0.299 3.662 3.960 0.001 0.000 0.219 57 G C 1.575 176.499 174.900 0.040 0.000 1.160 57 G CA 0.752 45.877 45.100 0.041 0.000 0.767 57 G HN 0.409 nan 8.290 nan 0.000 0.571 58 Q N 0.318 120.135 119.800 0.029 0.000 1.993 58 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 58 Q C 0.172 176.192 176.000 0.033 0.000 0.984 58 Q CA 1.877 57.696 55.803 0.026 0.000 0.837 58 Q CB -0.710 28.037 28.738 0.014 0.000 0.902 58 Q HN 0.454 nan 8.270 nan 0.000 0.423 59 P HA -0.161 nan 4.420 nan 0.000 0.221 59 P C 1.383 178.715 177.300 0.053 0.000 1.150 59 P CA 1.050 64.177 63.100 0.044 0.000 0.800 59 P CB -0.033 31.695 31.700 0.046 0.000 0.787 60 L N -0.549 120.706 121.223 0.053 0.000 2.093 60 L HA -0.075 4.265 4.340 0.001 0.000 0.208 60 L C 2.488 179.391 176.870 0.055 0.000 1.085 60 L CA 1.499 56.372 54.840 0.056 0.000 0.755 60 L CB -0.718 41.374 42.059 0.055 0.000 0.904 60 L HN -0.079 nan 8.230 nan 0.000 0.435 61 A N -0.221 122.631 122.820 0.055 0.000 1.877 61 A HA -0.306 4.014 4.320 0.001 0.000 0.216 61 A C 2.326 179.941 177.584 0.053 0.000 1.186 61 A CA 2.055 54.128 52.037 0.059 0.000 0.620 61 A CB -0.650 18.385 19.000 0.058 0.000 0.822 61 A HN 0.558 nan 8.150 nan 0.000 0.443 62 M N -0.484 119.144 119.600 0.046 0.000 2.080 62 M HA -0.170 4.310 4.480 0.001 0.000 0.260 62 M C 1.945 178.274 176.300 0.049 0.000 1.068 62 M CA 1.842 57.169 55.300 0.044 0.000 1.109 62 M CB -0.322 32.302 32.600 0.040 0.000 1.342 62 M HN 0.439 nan 8.290 nan 0.000 0.405 63 L N -0.402 120.853 121.223 0.053 0.000 2.056 63 L HA -0.233 4.107 4.340 0.001 0.000 0.207 63 L C 2.613 179.510 176.870 0.045 0.000 1.078 63 L CA 0.834 55.706 54.840 0.053 0.000 0.749 63 L CB -0.706 41.388 42.059 0.058 0.000 0.901 63 L HN 0.359 nan 8.230 nan 0.000 0.433 64 M N -0.007 119.621 119.600 0.046 0.000 2.159 64 M HA -0.206 4.274 4.480 0.001 0.000 0.263 64 M C 2.274 178.603 176.300 0.049 0.000 1.063 64 M CA 1.565 56.892 55.300 0.045 0.000 1.110 64 M CB -0.949 31.682 32.600 0.051 0.000 1.374 64 M HN 0.065 nan 8.290 nan 0.000 0.411 65 K N 0.489 120.921 120.400 0.053 0.000 2.209 65 K HA -0.037 4.283 4.320 0.001 0.000 0.204 65 K C 1.622 178.249 176.600 0.047 0.000 1.048 65 K CA 1.300 57.618 56.287 0.053 0.000 0.940 65 K CB -0.197 32.335 32.500 0.053 0.000 0.729 65 K HN 0.355 nan 8.250 nan 0.000 0.451 66 M N 0.392 120.019 119.600 0.044 0.000 2.556 66 M HA 0.040 4.520 4.480 0.001 0.000 0.245 66 M C 0.356 176.678 176.300 0.037 0.000 1.128 66 M CA -0.088 55.236 55.300 0.040 0.000 1.069 66 M CB 0.015 32.640 32.600 0.042 0.000 1.469 66 M HN -0.005 nan 8.290 nan 0.000 0.494 67 N N 2.588 121.311 118.700 0.038 0.000 2.442 67 N HA 0.078 4.818 4.740 0.001 0.000 0.265 67 N C -1.840 173.692 175.510 0.037 0.000 1.138 67 N CA -1.252 51.819 53.050 0.035 0.000 0.956 67 N CB 1.272 39.779 38.487 0.034 0.000 1.067 67 N HN 0.006 nan 8.380 nan 0.000 0.474 68 P HA -0.091 nan 4.420 nan 0.000 0.225 68 P C 1.168 178.485 177.300 0.029 0.000 1.148 68 P CA 0.861 63.977 63.100 0.026 0.000 0.779 68 P CB 0.448 32.161 31.700 0.022 0.000 0.780 69 L N -0.996 120.261 121.223 0.057 0.000 2.558 69 L HA 0.092 4.432 4.340 0.001 0.000 0.225 69 L C 0.749 177.689 176.870 0.116 0.000 1.128 69 L CA 0.033 54.934 54.840 0.102 0.000 0.868 69 L CB 0.058 42.226 42.059 0.182 0.000 1.006 69 L HN -0.233 nan 8.230 nan 0.000 0.454 70 V N 0.081 120.040 119.914 0.076 0.000 2.432 70 V HA 0.089 4.209 4.120 0.001 0.000 0.275 70 V C 1.124 177.231 176.094 0.021 0.000 1.043 70 V CA 0.296 62.637 62.300 0.069 0.000 0.925 70 V CB 1.527 33.387 31.823 0.063 0.000 0.985 70 V HN 0.310 nan 8.190 nan 0.000 0.466 71 S N 3.655 119.351 115.700 -0.006 0.000 2.499 71 S HA 0.237 4.707 4.470 0.001 0.000 0.225 71 S C 0.292 174.892 174.600 0.000 0.000 1.050 71 S CA -0.093 58.092 58.200 -0.026 0.000 0.928 71 S CB 0.573 63.726 63.200 -0.078 0.000 0.803 71 S HN 0.401 nan 8.310 nan 0.000 0.506 72 V N 2.287 122.200 119.914 -0.002 0.000 2.638 72 V HA 0.667 4.787 4.120 0.001 0.000 0.306 72 V C -1.437 174.662 176.094 0.008 0.000 1.052 72 V CA -0.758 61.546 62.300 0.007 0.000 0.885 72 V CB 1.732 33.519 31.823 -0.060 0.000 0.999 72 V HN 0.458 nan 8.190 nan 0.000 0.424 73 L N 4.533 125.819 121.223 0.104 0.000 2.349 73 L HA 0.607 4.947 4.340 0.001 0.000 0.278 73 L C -0.726 176.350 176.870 0.344 0.000 0.996 73 L CA 0.085 55.010 54.840 0.142 0.000 0.825 73 L CB 1.443 43.577 42.059 0.125 0.000 1.243 73 L HN 0.702 nan 8.230 nan 0.000 0.412 74 H N 5.926 125.089 119.070 0.155 0.000 2.511 74 H HA 0.522 5.078 4.556 0.000 0.000 0.328 74 H C -1.013 174.460 175.328 0.242 0.000 1.044 74 H CA -0.941 55.264 56.048 0.261 0.000 1.212 74 H CB 1.625 31.443 29.762 0.093 0.000 1.428 74 H HN 0.457 nan 8.280 nan 0.000 0.483 75 L N 4.725 126.203 121.223 0.425 0.000 2.305 75 L HA 0.280 4.621 4.340 0.001 0.000 0.284 75 L C -1.049 176.040 176.870 0.365 0.000 1.013 75 L CA -0.789 54.225 54.840 0.291 0.000 0.819 75 L CB 0.946 43.108 42.059 0.172 0.000 1.227 75 L HN 0.563 nan 8.230 nan 0.000 0.417 76 Y N 3.565 123.971 120.300 0.177 0.000 2.409 76 Y HA 0.617 5.167 4.550 0.000 0.000 0.343 76 Y C -0.972 174.986 175.900 0.097 0.000 0.973 76 Y CA -0.382 57.814 58.100 0.161 0.000 1.064 76 Y CB 1.727 40.239 38.460 0.087 0.000 1.207 76 Y HN 0.563 nan 8.280 nan 0.000 0.452 77 D N 2.308 122.159 120.400 -0.915 0.000 2.665 77 D HA 0.208 4.848 4.640 0.001 0.000 0.287 77 D C -0.217 175.656 176.300 -0.712 0.000 1.266 77 D CA -0.137 53.470 54.000 -0.655 0.000 0.830 77 D CB 2.134 42.792 40.800 -0.236 0.000 1.356 77 D HN 0.492 nan 8.370 nan 0.000 0.437 78 V N -1.084 118.625 119.914 -0.342 0.000 3.650 78 V HA 0.326 4.447 4.120 0.001 0.000 0.271 78 V C 0.604 176.623 176.094 -0.126 0.000 1.281 78 V CA 0.470 62.654 62.300 -0.194 0.000 1.120 78 V CB -0.178 31.606 31.823 -0.066 0.000 0.856 78 V HN 0.394 nan 8.190 nan 0.000 0.443 79 V N -3.974 115.863 119.914 -0.128 0.000 3.178 79 V HA 0.611 4.731 4.120 0.001 0.000 0.302 79 V C 0.129 176.173 176.094 -0.084 0.000 1.262 79 V CA -0.433 61.816 62.300 -0.084 0.000 1.030 79 V CB 1.459 33.250 31.823 -0.054 0.000 1.074 79 V HN 0.168 nan 8.190 nan 0.000 0.438 80 N N 0.053 118.714 118.700 -0.065 0.000 2.717 80 N HA -0.295 4.446 4.740 0.001 0.000 0.248 80 N C 1.289 176.762 175.510 -0.062 0.000 1.099 80 N CA 1.763 54.780 53.050 -0.056 0.000 0.843 80 N CB -1.223 37.237 38.487 -0.044 0.000 1.155 80 N HN 1.465 nan 8.380 nan 0.000 0.580 81 A N 0.275 123.046 122.820 -0.081 0.000 1.933 81 A HA -0.052 4.268 4.320 0.001 0.000 0.218 81 A C -0.107 177.439 177.584 -0.064 0.000 1.175 81 A CA 1.777 53.770 52.037 -0.072 0.000 0.628 81 A CB -1.080 17.861 19.000 -0.097 0.000 0.814 81 A HN 0.330 nan 8.150 nan 0.000 0.444 82 P HA -0.108 nan 4.420 nan 0.000 0.215 82 P C 1.788 179.049 177.300 -0.065 0.000 1.153 82 P CA 1.759 64.814 63.100 -0.074 0.000 0.853 82 P CB -0.329 31.330 31.700 -0.069 0.000 0.788 83 G N -0.346 108.419 108.800 -0.058 0.000 2.421 83 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 83 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 83 G C 1.648 176.510 174.900 -0.063 0.000 1.171 83 G CA 0.795 45.860 45.100 -0.058 0.000 0.775 83 G HN 0.141 nan 8.290 nan 0.000 0.543 84 V N 1.031 120.915 119.914 -0.049 0.000 2.343 84 V HA -0.186 3.935 4.120 0.001 0.000 0.247 84 V C 3.170 179.239 176.094 -0.042 0.000 1.051 84 V CA 2.341 64.617 62.300 -0.039 0.000 1.036 84 V CB -0.905 30.906 31.823 -0.020 0.000 0.654 84 V HN 0.397 nan 8.190 nan 0.000 0.451 85 T N 0.374 114.904 114.554 -0.040 0.000 2.746 85 T HA -0.163 4.187 4.350 0.001 0.000 0.267 85 T C 2.073 176.738 174.700 -0.060 0.000 1.039 85 T CA 1.613 63.693 62.100 -0.034 0.000 1.142 85 T CB -0.421 68.420 68.868 -0.045 0.000 0.866 85 T HN 0.579 nan 8.240 nan 0.000 0.444 86 A N 1.804 124.568 122.820 -0.094 0.000 1.877 86 A HA -0.176 4.144 4.320 0.001 0.000 0.216 86 A C 2.190 179.578 177.584 -0.327 0.000 1.186 86 A CA 1.939 53.882 52.037 -0.156 0.000 0.620 86 A CB -0.863 18.048 19.000 -0.147 0.000 0.822 86 A HN 0.457 nan 8.150 nan 0.000 0.443 87 D N 0.242 120.485 120.400 -0.261 0.000 2.103 87 D HA -0.180 4.460 4.640 0.001 0.000 0.190 87 D C 1.840 178.039 176.300 -0.168 0.000 0.997 87 D CA 1.605 55.450 54.000 -0.258 0.000 0.833 87 D CB -0.253 40.470 40.800 -0.129 0.000 0.961 87 D HN 0.296 nan 8.370 nan 0.000 0.447 88 I N 1.130 121.655 120.570 -0.075 0.000 2.208 88 I HA -0.246 3.925 4.170 0.001 0.000 0.245 88 I C 2.563 178.696 176.117 0.027 0.000 1.097 88 I CA 1.390 62.686 61.300 -0.007 0.000 1.363 88 I CB -1.385 36.625 38.000 0.016 0.000 1.051 88 I HN 0.147 nan 8.210 nan 0.000 0.413 89 S N -0.025 115.689 115.700 0.023 0.000 2.440 89 S HA -0.225 4.245 4.470 0.001 0.000 0.238 89 S C 1.812 176.539 174.600 0.212 0.000 1.010 89 S CA 1.125 59.386 58.200 0.102 0.000 0.972 89 S CB -1.018 62.247 63.200 0.107 0.000 0.774 89 S HN 0.575 nan 8.310 nan 0.000 0.501 90 H N 0.261 119.337 119.070 0.011 0.000 2.524 90 H HA 0.211 4.768 4.556 0.001 0.000 0.282 90 H C 0.302 175.637 175.328 0.012 0.000 1.016 90 H CA 0.189 56.242 56.048 0.009 0.000 1.270 90 H CB -0.136 29.631 29.762 0.007 0.000 1.394 90 H HN 0.438 nan 8.280 nan 0.000 0.568 91 M N 2.594 122.276 119.600 0.137 0.000 2.269 91 M HA -0.062 4.419 4.480 0.001 0.000 0.350 91 M C 0.054 176.390 176.300 0.061 0.000 1.429 91 M CA -0.011 55.338 55.300 0.082 0.000 1.063 91 M CB 0.494 33.132 32.600 0.064 0.000 1.841 91 M HN 0.161 nan 8.290 nan 0.000 0.455 92 D N 2.515 122.942 120.400 0.044 0.000 2.845 92 D HA 0.066 4.706 4.640 0.001 0.000 0.235 92 D C -0.199 176.118 176.300 0.028 0.000 1.158 92 D CA -0.321 53.697 54.000 0.031 0.000 0.990 92 D CB -0.528 40.284 40.800 0.020 0.000 1.094 92 D HN 0.566 nan 8.370 nan 0.000 0.486 93 T N -4.819 109.754 114.554 0.033 0.000 2.930 93 T HA 0.563 4.913 4.350 0.001 0.000 0.290 93 T C 1.448 176.164 174.700 0.027 0.000 1.052 93 T CA -0.520 61.598 62.100 0.030 0.000 1.017 93 T CB 1.627 70.515 68.868 0.035 0.000 1.137 93 T HN 0.017 nan 8.240 nan 0.000 0.511 94 G N 0.565 109.378 108.800 0.022 0.000 2.440 94 G HA2 0.185 4.146 3.960 0.001 0.000 0.218 94 G HA3 0.185 4.146 3.960 0.001 0.000 0.218 94 G C 0.844 175.757 174.900 0.022 0.000 1.154 94 G CA 0.393 45.503 45.100 0.016 0.000 0.767 94 G HN 1.300 nan 8.290 nan 0.000 0.552 95 A N -0.182 122.656 122.820 0.030 0.000 2.540 95 A HA 0.462 4.782 4.320 0.001 0.000 0.239 95 A C -0.038 177.577 177.584 0.051 0.000 1.061 95 A CA -0.094 51.966 52.037 0.039 0.000 0.758 95 A CB 0.550 19.579 19.000 0.048 0.000 0.991 95 A HN 0.308 nan 8.150 nan 0.000 0.502 96 V N 3.874 123.823 119.914 0.059 0.000 2.407 96 V HA 0.395 4.515 4.120 0.001 0.000 0.278 96 V C 0.227 176.389 176.094 0.115 0.000 1.037 96 V CA -0.326 62.019 62.300 0.075 0.000 0.900 96 V CB 1.271 33.136 31.823 0.071 0.000 0.983 96 V HN 0.750 nan 8.190 nan 0.000 0.459 97 V N 7.193 127.175 119.914 0.112 0.000 2.581 97 V HA 0.723 4.843 4.120 0.001 0.000 0.303 97 V C -0.360 175.804 176.094 0.116 0.000 1.041 97 V CA -0.524 61.862 62.300 0.143 0.000 0.907 97 V CB 1.788 33.674 31.823 0.104 0.000 0.994 97 V HN 0.883 nan 8.190 nan 0.000 0.442 98 R N 3.443 124.035 120.500 0.152 0.000 2.725 98 R HA 0.623 4.964 4.340 0.001 0.000 0.277 98 R C -0.307 175.924 176.300 -0.114 0.000 0.987 98 R CA -0.321 55.745 56.100 -0.055 0.000 0.901 98 R CB 2.261 32.470 30.300 -0.151 0.000 1.207 98 R HN 0.926 nan 8.270 nan 0.000 0.463 99 G N 1.345 109.932 108.800 -0.356 0.000 2.417 99 G HA2 0.694 4.654 3.960 0.001 0.000 0.334 99 G HA3 0.694 4.654 3.960 0.001 0.000 0.334 99 G C -1.244 173.280 174.900 -0.626 0.000 1.150 99 G CA -0.273 44.671 45.100 -0.260 0.000 0.923 99 G HN 0.275 nan 8.290 nan 0.000 0.485 100 F N 0.312 120.253 119.950 -0.014 0.000 2.557 100 F HA 0.460 4.988 4.527 0.000 0.000 0.316 100 F C -0.463 175.292 175.800 -0.075 0.000 1.141 100 F CA -0.859 57.162 58.000 0.036 0.000 0.922 100 F CB 2.485 41.602 39.000 0.196 0.000 1.194 100 F HN 0.358 nan 8.300 nan 0.000 0.443 101 L N 3.271 124.528 121.223 0.057 0.000 2.325 101 L HA 0.930 5.270 4.340 0.001 0.000 0.281 101 L C -0.012 176.861 176.870 0.006 0.000 1.004 101 L CA 0.025 54.822 54.840 -0.073 0.000 0.823 101 L CB 1.211 43.233 42.059 -0.062 0.000 1.236 101 L HN 0.842 nan 8.230 nan 0.000 0.415 102 G N 3.726 112.486 108.800 -0.067 0.000 2.755 102 G HA2 -0.256 3.704 3.960 0.001 0.000 0.686 102 G HA3 -0.256 3.704 3.960 0.001 0.000 0.686 102 G C 0.103 175.177 174.900 0.290 0.000 1.427 102 G CA 0.284 45.433 45.100 0.082 0.000 0.873 102 G HN 1.000 nan 8.290 nan 0.000 0.580 103 Q N 0.341 120.284 119.800 0.238 0.000 2.197 103 Q HA -0.231 4.109 4.340 0.001 0.000 0.207 103 Q C 2.774 178.866 176.000 0.154 0.000 0.984 103 Q CA 3.064 58.994 55.803 0.211 0.000 0.869 103 Q CB -0.132 28.681 28.738 0.124 0.000 0.906 103 Q HN 0.831 nan 8.270 nan 0.000 0.426 104 Q N -0.178 119.702 119.800 0.133 0.000 2.226 104 Q HA -0.196 4.144 4.340 0.001 0.000 0.204 104 Q C 1.099 177.181 176.000 0.135 0.000 0.975 104 Q CA 1.655 57.521 55.803 0.104 0.000 0.866 104 Q CB -0.287 28.499 28.738 0.080 0.000 0.915 104 Q HN 0.635 nan 8.270 nan 0.000 0.440 105 Q N -0.127 119.805 119.800 0.221 0.000 2.282 105 Q HA 0.157 4.497 4.340 0.001 0.000 0.206 105 Q C 1.729 177.869 176.000 0.233 0.000 0.878 105 Q CA -0.226 55.746 55.803 0.281 0.000 0.944 105 Q CB 0.227 29.187 28.738 0.370 0.000 1.100 105 Q HN 0.189 nan 8.270 nan 0.000 0.509 106 L N 1.669 122.952 121.223 0.100 0.000 2.013 106 L HA -0.256 4.085 4.340 0.001 0.000 0.212 106 L C 2.183 178.897 176.870 -0.260 0.000 1.073 106 L CA 2.078 56.717 54.840 -0.335 0.000 0.753 106 L CB -0.312 41.500 42.059 -0.413 0.000 0.890 106 L HN 0.224 nan 8.230 nan 0.000 0.432 107 E N -0.806 119.322 120.200 -0.119 0.000 2.038 107 E HA -0.262 4.089 4.350 0.001 0.000 0.195 107 E C 2.123 178.659 176.600 -0.105 0.000 1.000 107 E CA 1.334 57.679 56.400 -0.093 0.000 0.803 107 E CB -0.270 29.410 29.700 -0.032 0.000 0.750 107 E HN 0.614 nan 8.360 nan 0.000 0.448 108 A N 1.121 123.906 122.820 -0.059 0.000 1.908 108 A HA -0.181 4.139 4.320 0.001 0.000 0.218 108 A C 2.408 179.750 177.584 -0.404 0.000 1.181 108 A CA 2.084 54.093 52.037 -0.046 0.000 0.627 108 A CB -0.934 18.194 19.000 0.213 0.000 0.818 108 A HN 0.444 nan 8.150 nan 0.000 0.445 109 A N -0.319 121.982 122.820 -0.865 0.000 1.877 109 A HA -0.051 4.269 4.320 0.001 0.000 0.216 109 A C 2.143 179.523 177.584 -0.340 0.000 1.186 109 A CA 1.572 52.864 52.037 -1.241 0.000 0.620 109 A CB -0.607 17.858 19.000 -0.892 0.000 0.822 109 A HN 0.487 nan 8.150 nan 0.000 0.443 110 L N -0.233 120.834 121.223 -0.261 0.000 2.217 110 L HA -0.039 4.301 4.340 0.001 0.000 0.211 110 L C 0.701 177.515 176.870 -0.094 0.000 1.107 110 L CA 0.320 55.071 54.840 -0.149 0.000 0.783 110 L CB -0.856 41.116 42.059 -0.146 0.000 0.919 110 L HN 0.166 nan 8.230 nan 0.000 0.442 111 T N 0.746 115.257 114.554 -0.073 0.000 2.871 111 T HA 0.213 4.563 4.350 0.001 0.000 0.296 111 T C 1.174 175.858 174.700 -0.025 0.000 0.998 111 T CA 0.881 62.961 62.100 -0.034 0.000 1.162 111 T CB 0.709 69.574 68.868 -0.004 0.000 0.947 111 T HN 0.594 nan 8.240 nan 0.000 0.536 112 G N 3.309 112.089 108.800 -0.033 0.000 2.168 112 G HA2 -0.242 3.718 3.960 0.001 0.000 0.263 112 G HA3 -0.242 3.718 3.960 0.001 0.000 0.263 112 G C 0.306 175.172 174.900 -0.056 0.000 0.977 112 G CA -0.184 44.896 45.100 -0.033 0.000 0.659 112 G HN 0.565 nan 8.290 nan 0.000 0.533 113 M N 0.633 120.188 119.600 -0.075 0.000 2.243 113 M HA 0.266 4.746 4.480 0.001 0.000 0.341 113 M C 1.043 177.317 176.300 -0.045 0.000 1.130 113 M CA -0.090 55.160 55.300 -0.084 0.000 1.162 113 M CB 0.608 33.151 32.600 -0.095 0.000 1.497 113 M HN 0.027 nan 8.290 nan 0.000 0.456 114 D N 1.164 121.554 120.400 -0.016 0.000 2.277 114 D HA 0.140 4.780 4.640 0.001 0.000 0.209 114 D C -0.097 176.171 176.300 -0.054 0.000 0.970 114 D CA 0.721 54.720 54.000 -0.003 0.000 0.874 114 D CB 0.605 41.464 40.800 0.098 0.000 0.982 114 D HN 0.307 nan 8.370 nan 0.000 0.504 115 L N 1.042 122.237 121.223 -0.046 0.000 2.470 115 L HA 0.322 4.662 4.340 0.001 0.000 0.268 115 L C -1.869 174.987 176.870 -0.024 0.000 0.964 115 L CA -0.580 54.230 54.840 -0.051 0.000 0.839 115 L CB 2.138 44.154 42.059 -0.072 0.000 1.276 115 L HN -0.301 nan 8.230 nan 0.000 0.403 116 I N 6.217 126.782 120.570 -0.007 0.000 2.362 116 I HA 0.434 4.604 4.170 0.001 0.000 0.289 116 I C -0.199 175.942 176.117 0.040 0.000 0.994 116 I CA -0.521 60.787 61.300 0.013 0.000 1.158 116 I CB 1.377 39.387 38.000 0.016 0.000 1.315 116 I HN 0.518 nan 8.210 nan 0.000 0.451 117 I N 6.363 126.963 120.570 0.050 0.000 2.362 117 I HA 0.360 4.530 4.170 0.001 0.000 0.289 117 I C -0.300 175.858 176.117 0.068 0.000 0.994 117 I CA -0.764 60.576 61.300 0.066 0.000 1.158 117 I CB 1.885 39.925 38.000 0.066 0.000 1.315 117 I HN 0.141 nan 8.210 nan 0.000 0.451 118 V N 8.565 128.517 119.914 0.064 0.000 2.250 118 V HA 0.243 4.363 4.120 0.001 0.000 0.268 118 V C -1.714 174.405 176.094 0.042 0.000 1.043 118 V CA -0.866 61.468 62.300 0.057 0.000 0.814 118 V CB 0.849 32.700 31.823 0.047 0.000 1.072 118 V HN 0.647 nan 8.190 nan 0.000 0.451 119 P HA 0.145 nan 4.420 nan 0.000 0.257 119 P C 0.749 178.066 177.300 0.028 0.000 1.241 119 P CA 0.184 63.305 63.100 0.034 0.000 0.816 119 P CB 0.588 32.313 31.700 0.041 0.000 1.150 120 A N 0.593 123.438 122.820 0.042 0.000 2.624 120 A HA 0.364 4.684 4.320 0.001 0.000 0.231 120 A C 0.910 178.498 177.584 0.006 0.000 1.034 120 A CA 1.294 53.355 52.037 0.039 0.000 0.754 120 A CB -0.929 18.111 19.000 0.066 0.000 0.953 120 A HN 0.432 nan 8.150 nan 0.000 0.509 121 G N -0.688 108.111 108.800 -0.001 0.000 2.350 121 G HA2 0.563 4.524 3.960 0.001 0.000 0.304 121 G HA3 0.563 4.524 3.960 0.001 0.000 0.304 121 G C -0.712 174.176 174.900 -0.020 0.000 1.421 121 G CA -0.053 45.032 45.100 -0.025 0.000 0.934 121 G HN 2.205 nan 8.290 nan 0.000 0.632 122 V N -1.343 118.553 119.914 -0.030 0.000 2.850 122 V HA 0.940 5.060 4.120 0.001 0.000 0.315 122 V C -1.930 174.154 176.094 -0.018 0.000 1.064 122 V CA -2.019 60.269 62.300 -0.021 0.000 0.979 122 V CB 1.477 33.287 31.823 -0.022 0.000 1.039 122 V HN 0.796 nan 8.190 nan 0.000 0.452 123 P HA 0.300 nan 4.420 nan 0.000 0.271 123 P C 0.325 177.619 177.300 -0.010 0.000 1.216 123 P CA -0.282 62.812 63.100 -0.010 0.000 0.776 123 P CB 0.627 32.322 31.700 -0.008 0.000 0.881 124 R N 1.939 122.433 120.500 -0.010 0.000 2.303 124 R HA -0.123 4.217 4.340 0.001 0.000 0.225 124 R C 0.865 177.161 176.300 -0.007 0.000 1.114 124 R CA 0.626 56.720 56.100 -0.009 0.000 1.007 124 R CB -0.334 29.959 30.300 -0.012 0.000 0.861 124 R HN 0.562 nan 8.270 nan 0.000 0.471 125 K N -2.345 118.051 120.400 -0.006 0.000 6.774 125 K HA -0.221 4.099 4.320 0.001 0.000 0.213 125 K C -1.251 175.347 176.600 -0.004 0.000 1.306 125 K CA 0.977 57.262 56.287 -0.005 0.000 0.853 125 K CB -2.414 30.084 32.500 -0.003 0.000 0.584 125 K HN 0.056 nan 8.250 nan 0.000 0.606 126 P HA -0.329 nan 4.420 nan 0.000 0.221 126 P C 1.266 178.565 177.300 -0.002 0.000 0.967 126 P CA 2.876 65.974 63.100 -0.004 0.000 1.038 126 P CB -0.709 30.989 31.700 -0.003 0.000 0.731 127 G N -0.504 108.295 108.800 -0.001 0.000 2.728 127 G HA2 -0.320 3.640 3.960 0.001 0.000 0.224 127 G HA3 -0.320 3.640 3.960 0.001 0.000 0.224 127 G C 0.644 175.545 174.900 0.002 0.000 1.139 127 G CA 1.301 46.401 45.100 0.000 0.000 0.761 127 G HN 0.260 nan 8.290 nan 0.000 0.621 128 M N 1.077 120.678 119.600 0.002 0.000 2.240 128 M HA 0.037 4.518 4.480 0.001 0.000 0.346 128 M C 1.380 177.682 176.300 0.004 0.000 1.236 128 M CA 0.472 55.775 55.300 0.004 0.000 0.986 128 M CB 0.234 32.835 32.600 0.002 0.000 1.786 128 M HN 0.257 nan 8.290 nan 0.000 0.457 129 T N 1.499 116.059 114.554 0.010 0.000 5.471 129 T HA 0.098 4.449 4.350 0.001 0.000 0.311 129 T C 1.165 175.870 174.700 0.008 0.000 0.900 129 T CA 0.852 62.957 62.100 0.008 0.000 1.367 129 T CB 0.440 69.316 68.868 0.014 0.000 1.584 129 T HN 0.782 nan 8.240 nan 0.000 0.338 130 R N -0.898 119.609 120.500 0.013 0.000 2.539 130 R HA 0.343 4.683 4.340 0.001 0.000 0.342 130 R C 1.085 177.413 176.300 0.047 0.000 0.941 130 R CA 0.388 56.496 56.100 0.014 0.000 1.146 130 R CB 0.135 30.430 30.300 -0.009 0.000 1.541 130 R HN 0.472 nan 8.270 nan 0.000 0.525 131 D N -0.339 120.095 120.400 0.055 0.000 2.716 131 D HA 0.002 4.642 4.640 0.001 0.000 0.273 131 D C 0.321 176.701 176.300 0.133 0.000 1.024 131 D CA 0.499 54.561 54.000 0.103 0.000 0.944 131 D CB 0.578 41.406 40.800 0.047 0.000 1.186 131 D HN 0.106 nan 8.370 nan 0.000 0.485 132 D N 1.743 122.187 120.400 0.074 0.000 2.158 132 D HA -0.176 4.464 4.640 0.001 0.000 0.197 132 D C 2.231 178.558 176.300 0.046 0.000 0.995 132 D CA 0.527 54.561 54.000 0.057 0.000 0.846 132 D CB -0.270 40.550 40.800 0.033 0.000 0.941 132 D HN 0.280 nan 8.370 nan 0.000 0.456 133 L N -0.154 121.095 121.223 0.043 0.000 1.976 133 L HA -0.184 4.157 4.340 0.001 0.000 0.209 133 L C 2.454 179.317 176.870 -0.012 0.000 1.071 133 L CA 1.308 56.157 54.840 0.014 0.000 0.746 133 L CB -0.448 41.622 42.059 0.019 0.000 0.890 133 L HN -0.085 nan 8.230 nan 0.000 0.432 134 F N 1.027 120.928 119.950 -0.082 0.000 2.087 134 F HA -0.322 4.205 4.527 0.000 0.000 0.299 134 F C 2.541 178.236 175.800 -0.174 0.000 1.100 134 F CA 2.099 60.020 58.000 -0.132 0.000 1.226 134 F CB -0.351 38.582 39.000 -0.112 0.000 0.983 134 F HN 0.027 nan 8.300 nan 0.000 0.479 135 K N 0.600 120.968 120.400 -0.053 0.000 2.032 135 K HA -0.195 4.125 4.320 0.001 0.000 0.209 135 K C 2.192 178.676 176.600 -0.193 0.000 1.048 135 K CA 2.132 58.372 56.287 -0.079 0.000 0.927 135 K CB -0.573 31.994 32.500 0.112 0.000 0.712 135 K HN 0.408 nan 8.250 nan 0.000 0.441 136 I N 1.327 121.816 120.570 -0.135 0.000 2.163 136 I HA -0.295 3.875 4.170 0.001 0.000 0.240 136 I C 1.840 177.841 176.117 -0.193 0.000 1.081 136 I CA 1.085 62.316 61.300 -0.116 0.000 1.353 136 I CB -0.413 37.548 38.000 -0.064 0.000 1.054 136 I HN 0.150 nan 8.210 nan 0.000 0.407 137 N N 1.260 119.804 118.700 -0.260 0.000 2.188 137 N HA -0.096 4.644 4.740 0.001 0.000 0.184 137 N C 1.879 177.121 175.510 -0.448 0.000 1.018 137 N CA 1.478 54.357 53.050 -0.284 0.000 0.858 137 N CB -0.410 37.936 38.487 -0.235 0.000 0.989 137 N HN 0.334 nan 8.380 nan 0.000 0.426 138 A N 0.630 122.955 122.820 -0.826 0.000 1.902 138 A HA -0.024 4.296 4.320 0.001 0.000 0.217 138 A C 2.379 179.555 177.584 -0.679 0.000 1.181 138 A CA 1.937 53.250 52.037 -1.207 0.000 0.623 138 A CB -1.196 16.298 19.000 -2.511 0.000 0.818 138 A HN 0.351 nan 8.150 nan 0.000 0.443 139 G N -0.144 108.435 108.800 -0.369 0.000 2.418 139 G HA2 -0.169 3.791 3.960 0.001 0.000 0.217 139 G HA3 -0.169 3.791 3.960 0.001 0.000 0.217 139 G C 1.538 176.407 174.900 -0.051 0.000 1.158 139 G CA 1.059 46.145 45.100 -0.022 0.000 0.771 139 G HN 0.468 nan 8.290 nan 0.000 0.545 140 I N 0.313 120.820 120.570 -0.105 0.000 2.179 140 I HA -0.180 3.990 4.170 0.001 0.000 0.242 140 I C 2.803 178.882 176.117 -0.062 0.000 1.088 140 I CA 0.641 61.906 61.300 -0.059 0.000 1.357 140 I CB -0.210 37.754 38.000 -0.061 0.000 1.051 140 I HN 0.036 nan 8.210 nan 0.000 0.409 141 V N 0.908 120.746 119.914 -0.126 0.000 2.295 141 V HA -0.330 3.791 4.120 0.001 0.000 0.246 141 V C 2.508 178.554 176.094 -0.082 0.000 1.049 141 V CA 2.051 64.282 62.300 -0.115 0.000 1.024 141 V CB -0.727 30.987 31.823 -0.182 0.000 0.648 141 V HN 0.425 nan 8.190 nan 0.000 0.447 142 K N -0.201 120.162 120.400 -0.061 0.000 2.020 142 K HA -0.247 4.074 4.320 0.001 0.000 0.212 142 K C 2.215 178.824 176.600 0.015 0.000 1.050 142 K CA 2.326 58.620 56.287 0.012 0.000 0.929 142 K CB -0.459 32.130 32.500 0.148 0.000 0.714 142 K HN 0.490 nan 8.250 nan 0.000 0.443 143 T N 1.906 116.472 114.554 0.020 0.000 2.652 143 T HA -0.154 4.196 4.350 0.001 0.000 0.267 143 T C 1.847 176.553 174.700 0.011 0.000 1.039 143 T CA 1.780 63.893 62.100 0.022 0.000 1.153 143 T CB -0.240 68.645 68.868 0.028 0.000 0.863 143 T HN 0.178 nan 8.240 nan 0.000 0.428 144 L N 0.359 121.582 121.223 0.001 0.000 2.042 144 L HA -0.138 4.202 4.340 0.001 0.000 0.210 144 L C 2.960 179.848 176.870 0.029 0.000 1.076 144 L CA 1.017 55.850 54.840 -0.013 0.000 0.749 144 L CB -0.772 41.283 42.059 -0.007 0.000 0.893 144 L HN 0.396 nan 8.230 nan 0.000 0.432 145 C N -0.118 119.206 119.300 0.041 0.000 2.425 145 C HA -0.141 4.319 4.460 0.001 0.000 0.277 145 C C 2.647 177.775 174.990 0.230 0.000 1.280 145 C CA 0.625 59.730 59.018 0.145 0.000 1.744 145 C CB -0.765 26.905 27.740 -0.116 0.000 1.989 145 C HN 0.514 nan 8.230 nan 0.000 0.491 146 E N 0.366 120.633 120.200 0.112 0.000 2.118 146 E HA -0.132 4.218 4.350 0.001 0.000 0.195 146 E C 2.337 178.985 176.600 0.081 0.000 0.992 146 E CA 1.361 57.825 56.400 0.106 0.000 0.804 146 E CB -0.331 29.403 29.700 0.057 0.000 0.741 146 E HN 0.754 nan 8.360 nan 0.000 0.458 147 G N 1.007 109.832 108.800 0.041 0.000 2.402 147 G HA2 -0.226 3.734 3.960 0.001 0.000 0.216 147 G HA3 -0.226 3.734 3.960 0.001 0.000 0.216 147 G C 1.577 176.474 174.900 -0.006 0.000 1.162 147 G CA 0.509 45.603 45.100 -0.011 0.000 0.777 147 G HN 0.129 nan 8.290 nan 0.000 0.539 148 I N 1.382 121.978 120.570 0.043 0.000 2.315 148 I HA -0.148 4.022 4.170 0.001 0.000 0.248 148 I C 3.275 179.367 176.117 -0.042 0.000 1.117 148 I CA 0.854 62.164 61.300 0.016 0.000 1.404 148 I CB -0.175 37.890 38.000 0.108 0.000 1.071 148 I HN 0.241 nan 8.210 nan 0.000 0.419 149 A N 0.771 123.620 122.820 0.048 0.000 1.908 149 A HA -0.269 4.051 4.320 0.001 0.000 0.218 149 A C 2.420 179.986 177.584 -0.030 0.000 1.181 149 A CA 1.975 53.998 52.037 -0.022 0.000 0.627 149 A CB -0.499 18.599 19.000 0.164 0.000 0.818 149 A HN 0.376 nan 8.150 nan 0.000 0.445 150 K N -0.753 119.646 120.400 -0.001 0.000 2.031 150 K HA -0.116 4.204 4.320 0.001 0.000 0.205 150 K C 1.574 178.155 176.600 -0.032 0.000 1.049 150 K CA 1.762 58.043 56.287 -0.011 0.000 0.939 150 K CB -0.273 32.225 32.500 -0.002 0.000 0.717 150 K HN 0.521 nan 8.250 nan 0.000 0.438 151 C N 0.197 119.470 119.300 -0.044 0.000 2.696 151 C HA 0.235 4.695 4.460 0.001 0.000 0.264 151 C C 0.694 175.646 174.990 -0.062 0.000 1.288 151 C CA -0.683 58.304 59.018 -0.051 0.000 1.717 151 C CB -1.034 26.671 27.740 -0.058 0.000 1.893 151 C HN 0.648 nan 8.230 nan 0.000 0.577 152 C N -3.621 115.630 119.300 -0.082 0.000 2.890 152 C HA 0.236 4.696 4.460 0.001 0.000 0.264 152 C C -1.825 173.084 174.990 -0.135 0.000 0.934 152 C CA -0.978 57.985 59.018 -0.091 0.000 1.016 152 C CB -1.595 26.096 27.740 -0.082 0.000 1.704 152 C HN 0.121 nan 8.230 nan 0.000 0.671 153 P HA -0.104 nan 4.420 nan 0.000 0.218 153 P C 1.526 178.719 177.300 -0.178 0.000 1.148 153 P CA 1.605 64.591 63.100 -0.191 0.000 0.822 153 P CB 0.093 31.716 31.700 -0.128 0.000 0.784 154 R N -1.171 119.255 120.500 -0.123 0.000 2.334 154 R HA 0.360 4.700 4.340 0.001 0.000 0.220 154 R C 0.611 176.854 176.300 -0.095 0.000 0.917 154 R CA -0.266 55.772 56.100 -0.103 0.000 1.073 154 R CB 0.141 30.397 30.300 -0.073 0.000 1.056 154 R HN 0.117 nan 8.270 nan 0.000 0.506 155 A N 1.402 124.160 122.820 -0.103 0.000 2.340 155 A HA 0.361 4.681 4.320 0.001 0.000 0.268 155 A C 0.202 177.736 177.584 -0.084 0.000 1.100 155 A CA -0.487 51.499 52.037 -0.084 0.000 0.803 155 A CB 0.367 19.322 19.000 -0.075 0.000 1.043 155 A HN 0.155 nan 8.150 nan 0.000 0.488 156 I N 1.978 122.504 120.570 -0.074 0.000 2.441 156 I HA 0.198 4.368 4.170 0.001 0.000 0.287 156 I C -0.460 175.649 176.117 -0.012 0.000 1.049 156 I CA -0.101 61.166 61.300 -0.056 0.000 1.381 156 I CB 1.173 39.117 38.000 -0.093 0.000 1.409 156 I HN 0.247 nan 8.210 nan 0.000 0.523 157 V N 6.496 126.437 119.914 0.045 0.000 2.417 157 V HA 0.248 4.368 4.120 0.001 0.000 0.291 157 V C -0.055 176.118 176.094 0.131 0.000 1.024 157 V CA -0.690 61.668 62.300 0.096 0.000 0.861 157 V CB 1.486 33.414 31.823 0.176 0.000 0.985 157 V HN 0.686 nan 8.190 nan 0.000 0.436 158 N N 4.148 122.925 118.700 0.128 0.000 2.546 158 N HA 0.427 5.168 4.740 0.001 0.000 0.238 158 N C -1.078 174.499 175.510 0.112 0.000 0.984 158 N CA -0.623 52.536 53.050 0.182 0.000 0.935 158 N CB 1.565 40.184 38.487 0.221 0.000 1.122 158 N HN 0.437 nan 8.380 nan 0.000 0.510 159 L N 4.239 125.512 121.223 0.084 0.000 2.264 159 L HA 0.419 4.760 4.340 0.001 0.000 0.289 159 L C 0.256 177.116 176.870 -0.017 0.000 1.044 159 L CA 0.210 55.072 54.840 0.036 0.000 0.807 159 L CB 0.740 42.817 42.059 0.029 0.000 1.192 159 L HN 0.580 nan 8.230 nan 0.000 0.425 160 I N 1.174 121.735 120.570 -0.014 0.000 3.790 160 I HA 0.102 4.272 4.170 0.001 0.000 0.305 160 I C 0.745 176.851 176.117 -0.018 0.000 1.253 160 I CA -0.016 61.266 61.300 -0.030 0.000 1.355 160 I CB 0.183 38.182 38.000 -0.002 0.000 1.137 160 I HN 0.552 nan 8.210 nan 0.000 0.435 161 S N 3.214 118.901 115.700 -0.021 0.000 3.074 161 S HA -0.127 4.344 4.470 0.001 0.000 0.359 161 S C 0.222 174.796 174.600 -0.044 0.000 1.207 161 S CA 0.214 58.392 58.200 -0.036 0.000 1.061 161 S CB -0.533 62.631 63.200 -0.059 0.000 0.769 161 S HN 0.359 nan 8.310 nan 0.000 0.512 162 N N 4.117 122.798 118.700 -0.032 0.000 2.518 162 N HA 0.241 4.981 4.740 0.001 0.000 0.266 162 N C -2.522 172.963 175.510 -0.042 0.000 1.196 162 N CA -1.566 51.469 53.050 -0.025 0.000 0.947 162 N CB 0.532 39.008 38.487 -0.019 0.000 1.098 162 N HN 0.213 nan 8.380 nan 0.000 0.450 163 P HA 0.095 nan 4.420 nan 0.000 0.297 163 P C 0.557 177.826 177.300 -0.052 0.000 1.331 163 P CA -0.419 62.672 63.100 -0.015 0.000 0.803 163 P CB 1.493 33.202 31.700 0.013 0.000 0.929 164 V N 3.445 123.317 119.914 -0.070 0.000 2.380 164 V HA -0.287 3.833 4.120 0.001 0.000 0.251 164 V C 2.174 178.076 176.094 -0.320 0.000 1.063 164 V CA 1.989 64.188 62.300 -0.169 0.000 1.055 164 V CB -1.200 30.485 31.823 -0.231 0.000 0.657 164 V HN 0.536 nan 8.190 nan 0.000 0.455 165 N N -0.054 118.413 118.700 -0.387 0.000 2.192 165 N HA -0.134 4.606 4.740 0.001 0.000 0.188 165 N C 1.979 177.424 175.510 -0.109 0.000 1.013 165 N CA 1.895 54.692 53.050 -0.421 0.000 0.863 165 N CB -0.203 38.123 38.487 -0.268 0.000 0.990 165 N HN 0.475 nan 8.380 nan 0.000 0.430 166 S N -1.284 114.390 115.700 -0.043 0.000 2.502 166 S HA -0.005 4.466 4.470 0.001 0.000 0.228 166 S C 1.983 176.586 174.600 0.006 0.000 1.061 166 S CA 0.776 59.010 58.200 0.056 0.000 0.935 166 S CB -0.086 63.262 63.200 0.246 0.000 0.809 166 S HN 0.600 nan 8.310 nan 0.000 0.510 167 T N 0.545 115.069 114.554 -0.050 0.000 2.867 167 T HA 0.012 4.362 4.350 0.001 0.000 0.268 167 T C 1.733 176.345 174.700 -0.148 0.000 1.057 167 T CA 0.939 62.963 62.100 -0.127 0.000 1.136 167 T CB -0.648 68.138 68.868 -0.137 0.000 0.874 167 T HN 0.109 nan 8.240 nan 0.000 0.466 168 V N 2.663 122.501 119.914 -0.127 0.000 2.358 168 V HA -0.003 4.118 4.120 0.001 0.000 0.246 168 V C -0.252 175.580 176.094 -0.437 0.000 1.047 168 V CA 1.525 63.721 62.300 -0.173 0.000 1.035 168 V CB -0.949 30.892 31.823 0.031 0.000 0.658 168 V HN 0.382 nan 8.190 nan 0.000 0.452 169 P HA -0.089 nan 4.420 nan 0.000 0.217 169 P C 1.858 179.011 177.300 -0.246 0.000 1.151 169 P CA 1.412 64.145 63.100 -0.612 0.000 0.828 169 P CB 0.026 31.537 31.700 -0.314 0.000 0.788 170 I N -0.590 119.885 120.570 -0.159 0.000 2.127 170 I HA -0.299 3.871 4.170 0.001 0.000 0.241 170 I C 2.249 178.238 176.117 -0.212 0.000 1.075 170 I CA 1.685 62.928 61.300 -0.094 0.000 1.334 170 I CB -0.861 37.076 38.000 -0.106 0.000 1.040 170 I HN -0.064 nan 8.210 nan 0.000 0.405 171 A N 0.814 123.445 122.820 -0.314 0.000 1.883 171 A HA -0.238 4.083 4.320 0.001 0.000 0.217 171 A C 2.560 179.704 177.584 -0.732 0.000 1.186 171 A CA 2.146 53.831 52.037 -0.586 0.000 0.624 171 A CB -0.952 17.759 19.000 -0.481 0.000 0.822 171 A HN 0.468 nan 8.150 nan 0.000 0.444 172 A N -0.560 122.040 122.820 -0.366 0.000 1.865 172 A HA -0.207 4.113 4.320 0.001 0.000 0.217 172 A C 1.964 179.350 177.584 -0.330 0.000 1.191 172 A CA 1.983 53.866 52.037 -0.256 0.000 0.623 172 A CB -0.555 18.419 19.000 -0.044 0.000 0.826 172 A HN 0.455 nan 8.150 nan 0.000 0.444 173 E N -0.192 119.881 120.200 -0.211 0.000 2.038 173 E HA -0.146 4.205 4.350 0.001 0.000 0.195 173 E C 2.237 178.776 176.600 -0.101 0.000 1.000 173 E CA 1.349 57.672 56.400 -0.128 0.000 0.803 173 E CB -0.986 28.683 29.700 -0.051 0.000 0.750 173 E HN 0.337 nan 8.360 nan 0.000 0.448 174 V N 1.202 121.027 119.914 -0.148 0.000 2.282 174 V HA -0.269 3.851 4.120 0.001 0.000 0.249 174 V C 2.223 178.375 176.094 0.098 0.000 1.057 174 V CA 1.879 64.135 62.300 -0.073 0.000 1.032 174 V CB -0.589 31.140 31.823 -0.157 0.000 0.645 174 V HN 0.120 nan 8.190 nan 0.000 0.447 175 F N 0.423 120.391 119.950 0.031 0.000 2.186 175 F HA -0.093 4.434 4.527 0.000 0.000 0.299 175 F C 2.282 178.131 175.800 0.081 0.000 1.090 175 F CA 1.121 59.176 58.000 0.091 0.000 1.307 175 F CB -1.071 38.065 39.000 0.226 0.000 1.019 175 F HN 0.129 nan 8.300 nan 0.000 0.489 176 K N 0.484 120.979 120.400 0.159 0.000 2.002 176 K HA -0.187 4.133 4.320 0.001 0.000 0.209 176 K C 1.817 178.462 176.600 0.076 0.000 1.048 176 K CA 1.355 57.682 56.287 0.067 0.000 0.930 176 K CB -0.292 32.146 32.500 -0.104 0.000 0.714 176 K HN 0.027 nan 8.250 nan 0.000 0.438 177 K N -0.003 120.427 120.400 0.050 0.000 2.665 177 K HA -0.037 4.283 4.320 0.001 0.000 0.196 177 K C 0.384 177.024 176.600 0.067 0.000 1.021 177 K CA 0.605 56.919 56.287 0.044 0.000 1.066 177 K CB 0.174 32.688 32.500 0.022 0.000 0.849 177 K HN 0.185 nan 8.250 nan 0.000 0.500 178 A N -0.747 122.134 122.820 0.102 0.000 2.701 178 A HA 0.305 4.626 4.320 0.001 0.000 0.241 178 A C 0.947 178.583 177.584 0.087 0.000 1.231 178 A CA 0.249 52.343 52.037 0.096 0.000 1.003 178 A CB 0.437 19.515 19.000 0.131 0.000 1.281 178 A HN 0.348 nan 8.150 nan 0.000 0.600 179 G N 0.528 109.390 108.800 0.103 0.000 2.179 179 G HA2 -0.255 3.705 3.960 0.001 0.000 0.257 179 G HA3 -0.255 3.705 3.960 0.001 0.000 0.257 179 G C 0.683 175.634 174.900 0.085 0.000 1.010 179 G CA 1.501 46.656 45.100 0.091 0.000 0.736 179 G HN 1.535 nan 8.290 nan 0.000 0.513 180 T N -3.560 111.058 114.554 0.106 0.000 3.132 180 T HA 0.387 4.737 4.350 0.001 0.000 0.274 180 T C 0.547 175.278 174.700 0.052 0.000 1.011 180 T CA -0.137 61.975 62.100 0.020 0.000 0.899 180 T CB 0.335 69.151 68.868 -0.086 0.000 1.089 180 T HN 0.652 nan 8.240 nan 0.000 0.543 181 Y N 3.301 123.636 120.300 0.058 0.000 2.537 181 Y HA 0.410 4.960 4.550 0.001 0.000 0.339 181 Y C -0.453 175.483 175.900 0.060 0.000 1.066 181 Y CA -1.094 57.080 58.100 0.122 0.000 1.357 181 Y CB 0.248 38.823 38.460 0.191 0.000 1.175 181 Y HN 0.164 nan 8.280 nan 0.000 0.525 182 D N 9.435 129.603 120.400 -0.386 0.000 2.440 182 D HA 0.249 4.889 4.640 0.001 0.000 0.252 182 D C -2.063 173.883 176.300 -0.591 0.000 1.180 182 D CA -2.373 51.365 54.000 -0.436 0.000 0.894 182 D CB 1.804 42.473 40.800 -0.218 0.000 1.111 182 D HN 0.337 nan 8.370 nan 0.000 0.544 183 P HA -0.156 nan 4.420 nan 0.000 0.222 183 P C 0.936 178.135 177.300 -0.170 0.000 1.142 183 P CA 0.662 63.482 63.100 -0.466 0.000 0.788 183 P CB 0.532 32.045 31.700 -0.311 0.000 0.767 184 K N -0.192 120.107 120.400 -0.167 0.000 2.283 184 K HA -0.023 4.297 4.320 0.001 0.000 0.202 184 K C 1.916 178.480 176.600 -0.060 0.000 1.048 184 K CA 0.796 57.027 56.287 -0.094 0.000 0.948 184 K CB -0.004 32.437 32.500 -0.099 0.000 0.742 184 K HN 0.144 nan 8.250 nan 0.000 0.458 185 R N 0.029 120.489 120.500 -0.066 0.000 2.472 185 R HA 0.142 4.482 4.340 0.001 0.000 0.279 185 R C -0.637 175.694 176.300 0.052 0.000 0.953 185 R CA -0.227 55.855 56.100 -0.030 0.000 1.088 185 R CB 0.507 30.761 30.300 -0.077 0.000 1.197 185 R HN -0.072 nan 8.270 nan 0.000 0.536 186 L N 1.441 122.730 121.223 0.110 0.000 2.319 186 L HA 0.468 4.809 4.340 0.001 0.000 0.281 186 L C -1.552 175.431 176.870 0.188 0.000 1.005 186 L CA -0.667 54.300 54.840 0.212 0.000 0.828 186 L CB 1.262 43.526 42.059 0.342 0.000 1.227 186 L HN -0.099 nan 8.230 nan 0.000 0.415 187 L N 5.074 126.412 121.223 0.192 0.000 2.376 187 L HA 0.711 5.051 4.340 0.001 0.000 0.275 187 L C 0.522 177.484 176.870 0.154 0.000 0.987 187 L CA -0.278 54.688 54.840 0.209 0.000 0.828 187 L CB 1.983 44.248 42.059 0.344 0.000 1.249 187 L HN 0.710 nan 8.230 nan 0.000 0.409 188 G N 2.506 111.382 108.800 0.127 0.000 2.339 188 G HA2 0.456 4.416 3.960 0.001 0.000 0.287 188 G HA3 0.456 4.416 3.960 0.001 0.000 0.287 188 G C -0.238 174.548 174.900 -0.190 0.000 1.163 188 G CA -0.414 44.710 45.100 0.040 0.000 0.872 188 G HN 0.336 nan 8.290 nan 0.000 0.464 189 V N 3.191 122.921 119.914 -0.307 0.000 2.403 189 V HA 0.117 4.238 4.120 0.001 0.000 0.265 189 V C 1.470 177.155 176.094 -0.682 0.000 1.034 189 V CA 0.706 62.671 62.300 -0.558 0.000 1.036 189 V CB 0.289 31.901 31.823 -0.351 0.000 1.032 189 V HN 0.951 nan 8.190 nan 0.000 0.478 190 T N 1.037 115.201 114.554 -0.651 0.000 3.054 190 T HA 0.076 4.426 4.350 0.001 0.000 0.255 190 T C 1.458 175.983 174.700 -0.291 0.000 1.035 190 T CA -0.040 61.718 62.100 -0.570 0.000 0.941 190 T CB -0.068 68.620 68.868 -0.300 0.000 1.026 190 T HN 0.388 nan 8.240 nan 0.000 0.533 191 M N 1.110 120.490 119.600 -0.365 0.000 2.192 191 M HA -0.008 4.472 4.480 0.001 0.000 0.259 191 M C 1.711 177.968 176.300 -0.072 0.000 1.071 191 M CA 1.358 56.539 55.300 -0.199 0.000 1.082 191 M CB -0.573 31.916 32.600 -0.184 0.000 1.373 191 M HN 0.363 nan 8.290 nan 0.000 0.408 192 L N -0.282 120.924 121.223 -0.027 0.000 2.291 192 L HA -0.127 4.214 4.340 0.001 0.000 0.214 192 L C 1.516 178.396 176.870 0.018 0.000 1.120 192 L CA 1.722 56.579 54.840 0.029 0.000 0.799 192 L CB -0.819 41.281 42.059 0.068 0.000 0.925 192 L HN 0.269 nan 8.230 nan 0.000 0.446 193 D N -0.902 119.527 120.400 0.047 0.000 2.097 193 D HA -0.138 4.502 4.640 0.001 0.000 0.197 193 D C 2.324 178.609 176.300 -0.025 0.000 0.984 193 D CA 1.532 55.544 54.000 0.021 0.000 0.826 193 D CB -0.189 40.648 40.800 0.061 0.000 0.973 193 D HN 0.241 nan 8.370 nan 0.000 0.460 194 V N 0.832 120.731 119.914 -0.025 0.000 2.343 194 V HA -0.201 3.920 4.120 0.001 0.000 0.247 194 V C 2.668 178.736 176.094 -0.042 0.000 1.051 194 V CA 0.984 63.269 62.300 -0.025 0.000 1.036 194 V CB -0.346 31.469 31.823 -0.014 0.000 0.654 194 V HN 0.039 nan 8.190 nan 0.000 0.451 195 V N -0.162 119.732 119.914 -0.035 0.000 2.255 195 V HA -0.303 3.817 4.120 0.001 0.000 0.247 195 V C 2.594 178.588 176.094 -0.167 0.000 1.051 195 V CA 2.325 64.609 62.300 -0.026 0.000 1.018 195 V CB -0.728 31.135 31.823 0.066 0.000 0.641 195 V HN 0.487 nan 8.190 nan 0.000 0.445 196 R N -0.140 120.206 120.500 -0.257 0.000 2.083 196 R HA -0.154 4.186 4.340 0.001 0.000 0.237 196 R C 2.449 178.326 176.300 -0.706 0.000 1.137 196 R CA 1.520 57.232 56.100 -0.648 0.000 0.951 196 R CB -0.713 29.309 30.300 -0.463 0.000 0.851 196 R HN 0.550 nan 8.270 nan 0.000 0.434 197 A N 1.979 124.639 122.820 -0.267 0.000 1.859 197 A HA -0.259 4.062 4.320 0.001 0.000 0.217 197 A C 1.796 179.327 177.584 -0.088 0.000 1.198 197 A CA 1.939 53.915 52.037 -0.102 0.000 0.629 197 A CB -0.705 18.275 19.000 -0.034 0.000 0.830 197 A HN 0.292 nan 8.150 nan 0.000 0.446 198 N N -0.305 118.348 118.700 -0.079 0.000 2.061 198 N HA -0.130 4.610 4.740 0.001 0.000 0.193 198 N C 1.773 177.259 175.510 -0.040 0.000 1.030 198 N CA 2.063 55.097 53.050 -0.026 0.000 0.856 198 N CB -1.065 37.416 38.487 -0.010 0.000 1.023 198 N HN 0.550 nan 8.380 nan 0.000 0.424 199 T N 1.083 115.542 114.554 -0.158 0.000 2.708 199 T HA -0.043 4.307 4.350 0.001 0.000 0.266 199 T C 1.587 176.301 174.700 0.022 0.000 1.037 199 T CA 0.929 62.947 62.100 -0.136 0.000 1.146 199 T CB -0.311 68.378 68.868 -0.298 0.000 0.865 199 T HN 0.100 nan 8.240 nan 0.000 0.435 200 F N 0.967 120.931 119.950 0.023 0.000 2.186 200 F HA 0.020 4.548 4.527 0.001 0.000 0.299 200 F C 2.463 178.304 175.800 0.068 0.000 1.090 200 F CA -0.373 57.647 58.000 0.034 0.000 1.307 200 F CB -1.507 37.463 39.000 -0.052 0.000 1.019 200 F HN -0.017 nan 8.300 nan 0.000 0.489 201 V N 0.146 120.188 119.914 0.212 0.000 2.307 201 V HA -0.255 3.866 4.120 0.001 0.000 0.245 201 V C 2.660 178.888 176.094 0.223 0.000 1.045 201 V CA 1.699 64.117 62.300 0.197 0.000 1.024 201 V CB -1.312 30.604 31.823 0.155 0.000 0.651 201 V HN 0.337 nan 8.190 nan 0.000 0.449 202 A N -0.236 122.679 122.820 0.159 0.000 1.940 202 A HA -0.271 4.049 4.320 0.001 0.000 0.219 202 A C 2.126 179.792 177.584 0.136 0.000 1.176 202 A CA 2.073 54.188 52.037 0.130 0.000 0.631 202 A CB -0.462 18.590 19.000 0.086 0.000 0.814 202 A HN 0.672 nan 8.150 nan 0.000 0.446 203 E N -0.487 119.809 120.200 0.160 0.000 2.047 203 E HA -0.113 4.237 4.350 0.001 0.000 0.191 203 E C 1.951 178.639 176.600 0.147 0.000 0.987 203 E CA 1.210 57.699 56.400 0.147 0.000 0.799 203 E CB -0.344 29.465 29.700 0.180 0.000 0.752 203 E HN 0.362 nan 8.360 nan 0.000 0.449 204 V N 1.561 121.594 119.914 0.199 0.000 2.392 204 V HA -0.224 3.897 4.120 0.001 0.000 0.249 204 V C 2.065 178.264 176.094 0.174 0.000 1.059 204 V CA 1.445 63.863 62.300 0.197 0.000 1.051 204 V CB -0.307 31.685 31.823 0.282 0.000 0.658 204 V HN 0.284 nan 8.190 nan 0.000 0.455 205 L N 0.151 121.486 121.223 0.186 0.000 2.591 205 L HA 0.268 4.608 4.340 0.001 0.000 0.228 205 L C 1.677 178.590 176.870 0.071 0.000 1.133 205 L CA 0.679 55.589 54.840 0.118 0.000 0.880 205 L CB -0.680 41.450 42.059 0.118 0.000 1.033 205 L HN 0.541 nan 8.230 nan 0.000 0.450 206 G N 1.126 109.971 108.800 0.076 0.000 2.283 206 G HA2 -0.285 3.675 3.960 0.001 0.000 0.280 206 G HA3 -0.285 3.675 3.960 0.001 0.000 0.280 206 G C 0.108 175.036 174.900 0.046 0.000 1.029 206 G CA 0.376 45.508 45.100 0.052 0.000 0.840 206 G HN 0.297 nan 8.290 nan 0.000 0.505 207 L N -0.859 120.398 121.223 0.057 0.000 2.331 207 L HA 0.530 4.870 4.340 0.001 0.000 0.268 207 L C 0.375 177.273 176.870 0.046 0.000 1.015 207 L CA -1.175 53.693 54.840 0.046 0.000 0.807 207 L CB 1.034 43.122 42.059 0.049 0.000 1.293 207 L HN 0.097 nan 8.230 nan 0.000 0.451 208 D N 0.871 121.294 120.400 0.037 0.000 2.348 208 D HA 0.113 4.753 4.640 0.001 0.000 0.253 208 D C -1.883 174.439 176.300 0.038 0.000 1.161 208 D CA -1.508 52.512 54.000 0.033 0.000 0.876 208 D CB 2.057 42.873 40.800 0.027 0.000 1.160 208 D HN 0.183 nan 8.370 nan 0.000 0.459 209 P HA -0.134 nan 4.420 nan 0.000 0.217 209 P C 0.997 178.320 177.300 0.037 0.000 1.148 209 P CA 1.141 64.261 63.100 0.034 0.000 0.828 209 P CB 0.201 31.911 31.700 0.016 0.000 0.783 210 R N -0.641 119.881 120.500 0.037 0.000 2.241 210 R HA -0.067 4.273 4.340 0.001 0.000 0.224 210 R C 0.768 177.091 176.300 0.037 0.000 1.101 210 R CA 0.989 57.114 56.100 0.042 0.000 0.995 210 R CB -0.510 29.814 30.300 0.040 0.000 0.870 210 R HN 0.281 nan 8.270 nan 0.000 0.463 211 D N -0.122 120.300 120.400 0.036 0.000 2.342 211 D HA 0.075 4.715 4.640 0.001 0.000 0.221 211 D C -0.290 176.032 176.300 0.038 0.000 1.101 211 D CA 0.307 54.327 54.000 0.033 0.000 0.837 211 D CB 0.717 41.534 40.800 0.029 0.000 0.938 211 D HN -0.085 nan 8.370 nan 0.000 0.508 212 V N 0.765 120.705 119.914 0.044 0.000 2.680 212 V HA 0.345 4.465 4.120 0.001 0.000 0.309 212 V C -0.715 175.408 176.094 0.048 0.000 1.052 212 V CA -0.860 61.472 62.300 0.054 0.000 0.908 212 V CB 2.626 34.491 31.823 0.071 0.000 1.001 212 V HN -0.111 nan 8.190 nan 0.000 0.431 213 D N 2.632 123.063 120.400 0.052 0.000 2.787 213 D HA 0.628 5.268 4.640 0.001 0.000 0.246 213 D C -1.461 174.871 176.300 0.053 0.000 1.150 213 D CA -0.237 53.789 54.000 0.043 0.000 0.864 213 D CB 2.183 43.001 40.800 0.030 0.000 1.481 213 D HN 0.282 nan 8.370 nan 0.000 0.509 214 V N 5.062 125.002 119.914 0.044 0.000 2.443 214 V HA 0.492 4.613 4.120 0.001 0.000 0.293 214 V C -2.213 173.902 176.094 0.036 0.000 1.021 214 V CA -1.622 60.707 62.300 0.048 0.000 0.848 214 V CB 1.567 33.413 31.823 0.038 0.000 0.998 214 V HN 0.560 nan 8.190 nan 0.000 0.424 215 P HA 0.361 nan 4.420 nan 0.000 0.275 215 P C -0.929 176.396 177.300 0.041 0.000 1.227 215 P CA -0.124 63.000 63.100 0.040 0.000 0.781 215 P CB 1.047 32.774 31.700 0.045 0.000 0.906 216 V N 3.811 123.746 119.914 0.034 0.000 2.638 216 V HA 0.565 4.685 4.120 0.001 0.000 0.306 216 V C 0.342 176.451 176.094 0.024 0.000 1.052 216 V CA -0.626 61.690 62.300 0.025 0.000 0.885 216 V CB 2.048 33.876 31.823 0.009 0.000 0.999 216 V HN 0.506 nan 8.190 nan 0.000 0.424 217 V N 1.556 121.481 119.914 0.018 0.000 3.156 217 V HA 1.129 5.250 4.120 0.001 0.000 0.311 217 V C 0.454 176.436 176.094 -0.187 0.000 1.208 217 V CA 0.301 62.592 62.300 -0.015 0.000 1.063 217 V CB 1.338 33.241 31.823 0.134 0.000 1.098 217 V HN 1.847 nan 8.190 nan 0.000 0.452 218 G N 0.359 108.764 108.800 -0.659 0.000 2.848 218 G HA2 0.277 4.237 3.960 0.001 0.000 0.246 218 G HA3 0.277 4.237 3.960 0.001 0.000 0.246 218 G C 0.494 175.047 174.900 -0.579 0.000 1.374 218 G CA 0.040 44.466 45.100 -1.124 0.000 0.982 218 G HN 2.306 nan 8.290 nan 0.000 0.563 219 G N -2.356 106.280 108.800 -0.273 0.000 3.108 219 G HA2 0.551 4.512 3.960 0.001 0.000 0.268 219 G HA3 0.551 4.512 3.960 0.001 0.000 0.268 219 G C -0.115 174.679 174.900 -0.176 0.000 1.361 219 G CA 0.744 45.700 45.100 -0.240 0.000 1.047 219 G HN 1.129 nan 8.290 nan 0.000 0.540 220 H N -0.947 117.887 119.070 -0.392 0.000 2.592 220 H HA 0.660 5.216 4.556 0.000 0.000 0.279 220 H C 0.351 175.557 175.328 -0.205 0.000 1.089 220 H CA 0.202 56.079 56.048 -0.286 0.000 1.150 220 H CB 0.091 29.649 29.762 -0.341 0.000 1.575 220 H HN 0.602 nan 8.280 nan 0.000 0.547 221 A N -0.782 121.913 122.820 -0.208 0.000 2.455 221 A HA 0.608 4.928 4.320 0.001 0.000 0.300 221 A C 0.984 178.482 177.584 -0.142 0.000 1.040 221 A CA -0.255 51.658 52.037 -0.207 0.000 0.697 221 A CB 0.692 19.589 19.000 -0.172 0.000 1.265 221 A HN 0.562 nan 8.150 nan 0.000 0.407 222 G N 0.362 109.084 108.800 -0.130 0.000 2.652 222 G HA2 -0.187 3.773 3.960 0.001 0.000 0.318 222 G HA3 -0.187 3.773 3.960 0.001 0.000 0.318 222 G C 1.305 176.158 174.900 -0.078 0.000 1.295 222 G CA 1.921 46.966 45.100 -0.092 0.000 0.999 222 G HN 2.248 nan 8.290 nan 0.000 0.548 223 V N -0.498 119.378 119.914 -0.063 0.000 3.444 223 V HA 0.157 4.277 4.120 0.001 0.000 0.271 223 V C 2.694 178.758 176.094 -0.050 0.000 1.188 223 V CA 2.743 65.011 62.300 -0.053 0.000 1.168 223 V CB -1.040 30.755 31.823 -0.046 0.000 0.810 223 V HN 1.568 nan 8.190 nan 0.000 0.500 224 T N -1.350 113.167 114.554 -0.061 0.000 3.085 224 T HA 0.215 4.565 4.350 0.001 0.000 0.263 224 T C 0.713 175.362 174.700 -0.086 0.000 1.127 224 T CA 0.381 62.444 62.100 -0.062 0.000 1.103 224 T CB -0.730 68.089 68.868 -0.081 0.000 0.921 224 T HN 0.508 nan 8.240 nan 0.000 0.510 225 I N 2.204 122.727 120.570 -0.079 0.000 2.363 225 I HA 0.323 4.493 4.170 0.001 0.000 0.292 225 I C -0.522 175.572 176.117 -0.039 0.000 1.075 225 I CA -0.673 60.588 61.300 -0.064 0.000 1.333 225 I CB 0.985 38.947 38.000 -0.063 0.000 1.415 225 I HN 0.120 nan 8.210 nan 0.000 0.502 226 L N 10.775 131.981 121.223 -0.028 0.000 2.384 226 L HA 0.537 4.877 4.340 0.001 0.000 0.261 226 L C -2.437 174.449 176.870 0.026 0.000 1.024 226 L CA -1.986 52.856 54.840 0.004 0.000 0.899 226 L CB 0.965 43.039 42.059 0.024 0.000 1.243 226 L HN 0.257 nan 8.230 nan 0.000 0.449 227 P HA 0.100 nan 4.420 nan 0.000 0.276 227 P C -0.511 176.825 177.300 0.059 0.000 1.253 227 P CA -0.079 63.041 63.100 0.033 0.000 0.766 227 P CB 0.819 32.527 31.700 0.014 0.000 0.845 228 L N 5.164 126.426 121.223 0.065 0.000 2.399 228 L HA 0.155 4.496 4.340 0.001 0.000 0.257 228 L C 1.943 178.866 176.870 0.089 0.000 1.236 228 L CA -0.382 54.510 54.840 0.087 0.000 1.144 228 L CB -0.338 41.773 42.059 0.088 0.000 1.379 228 L HN 0.343 nan 8.230 nan 0.000 0.414 229 L N 0.637 121.905 121.223 0.075 0.000 2.187 229 L HA -0.215 4.125 4.340 0.001 0.000 0.213 229 L C 2.612 179.607 176.870 0.208 0.000 1.100 229 L CA 1.477 56.364 54.840 0.078 0.000 0.765 229 L CB -0.333 41.672 42.059 -0.089 0.000 0.904 229 L HN 0.747 nan 8.230 nan 0.000 0.437 230 S N -1.149 114.647 115.700 0.160 0.000 2.515 230 S HA -0.152 4.318 4.470 0.001 0.000 0.231 230 S C 1.541 176.214 174.600 0.120 0.000 0.987 230 S CA 0.531 58.820 58.200 0.149 0.000 0.936 230 S CB -0.056 63.216 63.200 0.120 0.000 0.766 230 S HN 0.549 nan 8.310 nan 0.000 0.528 231 Q N 0.693 120.562 119.800 0.114 0.000 2.179 231 Q HA 0.353 4.694 4.340 0.001 0.000 0.213 231 Q C -0.480 175.573 176.000 0.089 0.000 0.833 231 Q CA -0.309 55.545 55.803 0.085 0.000 0.990 231 Q CB 1.009 29.788 28.738 0.068 0.000 1.132 231 Q HN 0.348 nan 8.270 nan 0.000 0.493 232 V N 1.885 121.880 119.914 0.135 0.000 2.901 232 V HA -0.065 4.055 4.120 0.001 0.000 0.307 232 V C 0.317 176.465 176.094 0.090 0.000 1.084 232 V CA 0.841 63.226 62.300 0.141 0.000 1.184 232 V CB 0.721 32.704 31.823 0.266 0.000 0.941 232 V HN 0.156 nan 8.190 nan 0.000 0.493 233 K N 5.339 125.782 120.400 0.073 0.000 2.397 233 K HA 0.454 4.774 4.320 0.001 0.000 0.253 233 K C -2.631 173.998 176.600 0.049 0.000 0.932 233 K CA -1.698 54.616 56.287 0.045 0.000 0.795 233 K CB 2.479 34.996 32.500 0.029 0.000 1.159 233 K HN 0.416 nan 8.250 nan 0.000 0.424 234 P HA 0.124 nan 4.420 nan 0.000 0.272 234 P C -2.638 174.663 177.300 0.002 0.000 1.223 234 P CA -1.361 61.747 63.100 0.014 0.000 0.784 234 P CB -0.220 31.483 31.700 0.005 0.000 0.923 235 P HA 0.037 nan 4.420 nan 0.000 0.261 235 P C -0.268 176.987 177.300 -0.074 0.000 1.173 235 P CA 0.938 64.024 63.100 -0.024 0.000 0.760 235 P CB 0.135 31.822 31.700 -0.021 0.000 0.783 236 S N 1.070 116.690 115.700 -0.133 0.000 2.570 236 S HA 0.493 4.963 4.470 0.001 0.000 0.270 236 S C -0.949 173.391 174.600 -0.433 0.000 1.149 236 S CA -0.564 57.454 58.200 -0.303 0.000 0.837 236 S CB 1.594 64.535 63.200 -0.430 0.000 1.124 236 S HN 0.242 nan 8.310 nan 0.000 0.465 237 S N 1.459 116.868 115.700 -0.486 0.000 2.449 237 S HA 0.718 5.189 4.470 0.001 0.000 0.310 237 S C -1.328 172.959 174.600 -0.521 0.000 1.096 237 S CA -0.447 57.518 58.200 -0.392 0.000 1.095 237 S CB 0.188 63.278 63.200 -0.183 0.000 1.007 237 S HN 0.438 nan 8.310 nan 0.000 0.474 238 F N 1.626 121.574 119.950 -0.005 0.000 2.492 238 F HA 0.473 5.000 4.527 0.000 0.000 0.327 238 F C 1.297 177.084 175.800 -0.023 0.000 1.079 238 F CA -0.890 57.105 58.000 -0.007 0.000 0.967 238 F CB 1.234 40.228 39.000 -0.008 0.000 1.169 238 F HN 0.499 nan 8.300 nan 0.000 0.472 239 T N -1.610 113.051 114.554 0.179 0.000 2.788 239 T HA 0.122 4.472 4.350 0.001 0.000 0.287 239 T C 0.998 175.732 174.700 0.058 0.000 1.007 239 T CA -0.464 61.684 62.100 0.080 0.000 1.005 239 T CB 1.052 69.952 68.868 0.052 0.000 1.012 239 T HN 0.773 nan 8.240 nan 0.000 0.530 240 Q N -0.246 119.559 119.800 0.009 0.000 2.096 240 Q HA -0.200 4.141 4.340 0.001 0.000 0.204 240 Q C 2.180 178.157 176.000 -0.038 0.000 0.982 240 Q CA 1.629 57.408 55.803 -0.040 0.000 0.850 240 Q CB -0.144 28.576 28.738 -0.030 0.000 0.901 240 Q HN 0.843 nan 8.270 nan 0.000 0.422 241 E N 0.509 120.709 120.200 -0.000 0.000 2.150 241 E HA -0.212 4.139 4.350 0.001 0.000 0.193 241 E C 1.464 178.092 176.600 0.046 0.000 0.985 241 E CA 1.184 57.593 56.400 0.015 0.000 0.814 241 E CB 0.105 29.809 29.700 0.007 0.000 0.752 241 E HN 0.485 nan 8.360 nan 0.000 0.466 242 E N 0.151 120.385 120.200 0.057 0.000 2.072 242 E HA -0.117 4.234 4.350 0.001 0.000 0.191 242 E C 2.323 178.928 176.600 0.008 0.000 0.985 242 E CA 0.976 57.439 56.400 0.105 0.000 0.801 242 E CB -0.058 29.753 29.700 0.186 0.000 0.750 242 E HN 0.281 nan 8.360 nan 0.000 0.452 243 I N 0.672 121.191 120.570 -0.086 0.000 2.226 243 I HA -0.284 3.887 4.170 0.001 0.000 0.245 243 I C 2.623 178.636 176.117 -0.174 0.000 1.100 243 I CA 0.914 62.072 61.300 -0.237 0.000 1.374 243 I CB -0.161 37.627 38.000 -0.354 0.000 1.057 243 I HN 0.069 nan 8.210 nan 0.000 0.413 244 S N -0.081 115.561 115.700 -0.097 0.000 2.371 244 S HA -0.240 4.230 4.470 0.001 0.000 0.224 244 S C 2.206 176.828 174.600 0.036 0.000 1.029 244 S CA 1.111 59.316 58.200 0.008 0.000 0.978 244 S CB -0.426 62.794 63.200 0.034 0.000 0.833 244 S HN 0.531 nan 8.310 nan 0.000 0.466 245 Y N 1.934 122.194 120.300 -0.067 0.000 2.181 245 Y HA -0.020 4.530 4.550 0.000 0.000 0.288 245 Y C 1.841 177.680 175.900 -0.102 0.000 1.146 245 Y CA 1.688 59.740 58.100 -0.080 0.000 1.164 245 Y CB -0.553 37.858 38.460 -0.083 0.000 0.982 245 Y HN 0.259 nan 8.280 nan 0.000 0.515 246 L N -0.458 120.573 121.223 -0.319 0.000 2.046 246 L HA -0.221 4.119 4.340 0.001 0.000 0.208 246 L C 2.375 179.082 176.870 -0.271 0.000 1.077 246 L CA 1.926 56.517 54.840 -0.415 0.000 0.747 246 L CB -0.828 41.076 42.059 -0.259 0.000 0.896 246 L HN 0.249 nan 8.230 nan 0.000 0.432 247 T N -1.406 113.064 114.554 -0.141 0.000 2.812 247 T HA -0.209 4.142 4.350 0.001 0.000 0.264 247 T C 1.632 176.291 174.700 -0.069 0.000 1.042 247 T CA 1.464 63.542 62.100 -0.037 0.000 1.140 247 T CB -0.225 68.717 68.868 0.124 0.000 0.870 247 T HN 0.446 nan 8.240 nan 0.000 0.445 248 D N 0.996 121.336 120.400 -0.101 0.000 2.117 248 D HA -0.126 4.514 4.640 0.001 0.000 0.198 248 D C 2.295 178.491 176.300 -0.173 0.000 0.982 248 D CA 0.878 54.817 54.000 -0.103 0.000 0.828 248 D CB -0.047 40.712 40.800 -0.069 0.000 0.967 248 D HN 0.265 nan 8.370 nan 0.000 0.464 249 R N 0.195 120.490 120.500 -0.341 0.000 2.075 249 R HA -0.047 4.293 4.340 0.001 0.000 0.232 249 R C 2.708 178.909 176.300 -0.165 0.000 1.126 249 R CA 0.733 56.580 56.100 -0.422 0.000 0.963 249 R CB -0.176 29.550 30.300 -0.956 0.000 0.858 249 R HN 0.217 nan 8.270 nan 0.000 0.435 250 I N 0.851 121.398 120.570 -0.039 0.000 2.286 250 I HA -0.279 3.891 4.170 0.001 0.000 0.248 250 I C 2.195 178.328 176.117 0.027 0.000 1.115 250 I CA 1.395 62.772 61.300 0.129 0.000 1.392 250 I CB -0.145 37.908 38.000 0.087 0.000 1.065 250 I HN 0.306 nan 8.210 nan 0.000 0.418 251 Q N 0.280 120.062 119.800 -0.031 0.000 2.297 251 Q HA -0.073 4.267 4.340 0.001 0.000 0.204 251 Q C 0.848 176.811 176.000 -0.062 0.000 0.962 251 Q CA 0.829 56.601 55.803 -0.052 0.000 0.879 251 Q CB 0.039 28.744 28.738 -0.054 0.000 0.947 251 Q HN 0.511 nan 8.270 nan 0.000 0.462 252 N N -0.562 118.105 118.700 -0.056 0.000 2.275 252 N HA 0.081 4.821 4.740 0.001 0.000 0.236 252 N C 1.064 176.556 175.510 -0.031 0.000 1.154 252 N CA 0.346 53.362 53.050 -0.056 0.000 0.866 252 N CB 0.929 39.378 38.487 -0.062 0.000 1.093 252 N HN 0.200 nan 8.380 nan 0.000 0.515 253 G N 1.108 109.916 108.800 0.014 0.000 2.513 253 G HA2 -0.271 3.690 3.960 0.001 0.000 0.219 253 G HA3 -0.271 3.690 3.960 0.001 0.000 0.219 253 G C 1.508 176.425 174.900 0.030 0.000 1.160 253 G CA 1.286 46.435 45.100 0.082 0.000 0.767 253 G HN 0.377 nan 8.290 nan 0.000 0.571 254 G N 0.012 108.799 108.800 -0.023 0.000 2.421 254 G HA2 -0.158 3.802 3.960 0.001 0.000 0.216 254 G HA3 -0.158 3.802 3.960 0.001 0.000 0.216 254 G C 1.857 176.742 174.900 -0.026 0.000 1.171 254 G CA 1.755 46.834 45.100 -0.035 0.000 0.775 254 G HN 0.389 nan 8.290 nan 0.000 0.543 255 T N 0.378 114.911 114.554 -0.035 0.000 2.788 255 T HA -0.101 4.249 4.350 0.001 0.000 0.268 255 T C 2.090 176.779 174.700 -0.018 0.000 1.044 255 T CA 1.503 63.585 62.100 -0.030 0.000 1.139 255 T CB -0.169 68.677 68.868 -0.037 0.000 0.867 255 T HN 0.581 nan 8.240 nan 0.000 0.454 256 E N 0.519 120.711 120.200 -0.012 0.000 2.085 256 E HA -0.148 4.202 4.350 0.001 0.000 0.194 256 E C 2.123 178.728 176.600 0.008 0.000 0.994 256 E CA 1.225 57.622 56.400 -0.005 0.000 0.801 256 E CB -0.076 29.624 29.700 0.000 0.000 0.743 256 E HN 0.301 nan 8.360 nan 0.000 0.453 257 V N 0.407 120.330 119.914 0.015 0.000 2.379 257 V HA -0.189 3.931 4.120 0.001 0.000 0.245 257 V C 2.444 178.541 176.094 0.006 0.000 1.044 257 V CA 1.137 63.447 62.300 0.016 0.000 1.036 257 V CB -0.053 31.782 31.823 0.021 0.000 0.664 257 V HN 0.193 nan 8.190 nan 0.000 0.453 258 V N 0.244 120.157 119.914 -0.002 0.000 2.252 258 V HA -0.334 3.787 4.120 0.001 0.000 0.249 258 V C 2.451 178.543 176.094 -0.005 0.000 1.056 258 V CA 2.437 64.734 62.300 -0.006 0.000 1.022 258 V CB -0.664 31.151 31.823 -0.012 0.000 0.641 258 V HN 0.627 nan 8.190 nan 0.000 0.445 259 E N 0.013 120.209 120.200 -0.006 0.000 2.110 259 E HA -0.196 4.155 4.350 0.001 0.000 0.193 259 E C 2.227 178.826 176.600 -0.002 0.000 0.988 259 E CA 1.260 57.656 56.400 -0.006 0.000 0.804 259 E CB -0.343 29.352 29.700 -0.008 0.000 0.745 259 E HN 0.622 nan 8.360 nan 0.000 0.458 260 A N 1.294 124.115 122.820 0.001 0.000 2.015 260 A HA -0.134 4.186 4.320 0.001 0.000 0.219 260 A C 1.712 179.298 177.584 0.003 0.000 1.163 260 A CA 0.992 53.031 52.037 0.004 0.000 0.646 260 A CB -0.091 18.914 19.000 0.009 0.000 0.806 260 A HN 0.005 nan 8.150 nan 0.000 0.448 261 K N -0.368 120.034 120.400 0.003 0.000 2.504 261 K HA 0.392 4.712 4.320 0.001 0.000 0.199 261 K C 0.382 176.982 176.600 -0.000 0.000 1.028 261 K CA 0.379 56.667 56.287 0.002 0.000 1.164 261 K CB -0.215 32.287 32.500 0.003 0.000 0.877 261 K HN 0.558 nan 8.250 nan 0.000 0.508 262 A N 0.955 123.774 122.820 -0.001 0.000 2.362 262 A HA -0.200 4.120 4.320 0.001 0.000 0.290 262 A C 1.259 178.841 177.584 -0.003 0.000 1.441 262 A CA 0.692 52.727 52.037 -0.002 0.000 0.743 262 A CB -2.381 16.618 19.000 -0.002 0.000 1.125 262 A HN 0.733 nan 8.150 nan 0.000 0.378 263 G N -0.606 108.191 108.800 -0.004 0.000 2.485 263 G HA2 -0.006 3.954 3.960 0.001 0.000 0.255 263 G HA3 -0.006 3.954 3.960 0.001 0.000 0.255 263 G C 1.152 176.049 174.900 -0.004 0.000 0.992 263 G CA 1.594 46.691 45.100 -0.005 0.000 0.643 263 G HN 2.610 nan 8.290 nan 0.000 0.565 264 A N 0.552 123.370 122.820 -0.003 0.000 3.063 264 A HA 0.700 5.021 4.320 0.001 0.000 0.263 264 A C 1.228 178.811 177.584 -0.002 0.000 1.736 264 A CA 1.174 53.210 52.037 -0.002 0.000 1.408 264 A CB -0.909 18.090 19.000 -0.002 0.000 1.108 264 A HN 2.436 nan 8.150 nan 0.000 0.621 265 G N -0.445 108.354 108.800 -0.002 0.000 2.375 265 G HA2 0.447 4.408 3.960 0.001 0.000 0.663 265 G HA3 0.447 4.408 3.960 0.001 0.000 0.663 265 G C -0.458 174.441 174.900 -0.001 0.000 1.391 265 G CA -0.197 44.903 45.100 -0.001 0.000 0.949 265 G HN 1.825 nan 8.290 nan 0.000 0.646 266 S N -0.466 115.234 115.700 -0.000 0.000 2.740 266 S HA 0.951 5.421 4.470 0.001 0.000 0.300 266 S C 0.544 175.147 174.600 0.006 0.000 1.147 266 S CA 0.402 58.602 58.200 -0.001 0.000 0.871 266 S CB 1.528 64.725 63.200 -0.006 0.000 1.173 266 S HN 2.550 nan 8.310 nan 0.000 0.510 267 A N 0.979 123.804 122.820 0.008 0.000 2.566 267 A HA 0.438 4.758 4.320 0.001 0.000 0.245 267 A C 1.200 178.798 177.584 0.023 0.000 1.056 267 A CA 0.603 52.651 52.037 0.017 0.000 0.757 267 A CB -0.848 18.165 19.000 0.021 0.000 0.979 267 A HN 1.359 nan 8.150 nan 0.000 0.508 268 T N 0.371 114.941 114.554 0.027 0.000 3.176 268 T HA 0.124 4.475 4.350 0.001 0.000 0.259 268 T C 1.595 176.322 174.700 0.045 0.000 0.978 268 T CA 0.600 62.719 62.100 0.032 0.000 1.050 268 T CB -0.536 68.347 68.868 0.024 0.000 1.136 268 T HN 0.317 nan 8.240 nan 0.000 0.465 269 L N 2.555 123.803 121.223 0.042 0.000 2.023 269 L HA 0.022 4.362 4.340 0.001 0.000 0.205 269 L C 3.169 180.090 176.870 0.086 0.000 1.073 269 L CA 1.651 56.523 54.840 0.054 0.000 0.745 269 L CB -0.938 41.138 42.059 0.028 0.000 0.900 269 L HN 0.436 nan 8.230 nan 0.000 0.435 270 S N -0.134 115.604 115.700 0.064 0.000 2.382 270 S HA -0.257 4.213 4.470 0.001 0.000 0.228 270 S C 1.976 176.673 174.600 0.163 0.000 1.027 270 S CA 1.428 59.687 58.200 0.098 0.000 0.991 270 S CB -0.539 62.684 63.200 0.038 0.000 0.823 270 S HN 0.284 nan 8.310 nan 0.000 0.469 271 M N 3.052 122.713 119.600 0.101 0.000 2.086 271 M HA 0.125 4.606 4.480 0.001 0.000 0.261 271 M C 2.247 178.601 176.300 0.090 0.000 1.067 271 M CA 1.569 56.921 55.300 0.086 0.000 1.116 271 M CB -1.268 31.367 32.600 0.059 0.000 1.348 271 M HN 0.372 nan 8.290 nan 0.000 0.407 272 A N -0.961 121.917 122.820 0.097 0.000 1.908 272 A HA -0.237 4.083 4.320 0.001 0.000 0.218 272 A C 2.202 179.845 177.584 0.100 0.000 1.181 272 A CA 2.030 54.120 52.037 0.088 0.000 0.627 272 A CB -1.539 17.513 19.000 0.087 0.000 0.818 272 A HN 0.757 nan 8.150 nan 0.000 0.445 273 Y N 0.551 120.866 120.300 0.025 0.000 2.145 273 Y HA -0.074 4.476 4.550 0.000 0.000 0.286 273 Y C 2.562 178.482 175.900 0.032 0.000 1.145 273 Y CA 1.439 59.554 58.100 0.025 0.000 1.148 273 Y CB -0.544 37.924 38.460 0.014 0.000 0.981 273 Y HN 0.293 nan 8.280 nan 0.000 0.507 274 A N 0.836 123.605 122.820 -0.084 0.000 1.898 274 A HA -0.066 4.254 4.320 0.001 0.000 0.216 274 A C 2.428 179.963 177.584 -0.081 0.000 1.181 274 A CA 1.805 53.757 52.037 -0.142 0.000 0.620 274 A CB -1.535 17.471 19.000 0.011 0.000 0.819 274 A HN 0.655 nan 8.150 nan 0.000 0.442 275 A N -0.642 122.170 122.820 -0.013 0.000 1.933 275 A HA -0.003 4.318 4.320 0.001 0.000 0.218 275 A C 2.189 179.804 177.584 0.051 0.000 1.175 275 A CA 1.829 53.893 52.037 0.045 0.000 0.628 275 A CB -0.790 18.239 19.000 0.048 0.000 0.814 275 A HN 0.390 nan 8.150 nan 0.000 0.444 276 V N -0.388 119.514 119.914 -0.020 0.000 2.548 276 V HA -0.169 3.951 4.120 0.001 0.000 0.249 276 V C 2.462 178.513 176.094 -0.073 0.000 1.055 276 V CA 2.208 64.489 62.300 -0.033 0.000 1.065 276 V CB -0.503 31.302 31.823 -0.029 0.000 0.681 276 V HN 0.585 nan 8.190 nan 0.000 0.462 277 K N -0.066 120.239 120.400 -0.159 0.000 2.057 277 K HA -0.185 4.135 4.320 0.001 0.000 0.207 277 K C 1.925 178.513 176.600 -0.019 0.000 1.049 277 K CA 1.698 57.893 56.287 -0.153 0.000 0.931 277 K CB -0.405 31.927 32.500 -0.280 0.000 0.714 277 K HN 0.356 nan 8.250 nan 0.000 0.440 278 F N 0.596 120.471 119.950 -0.124 0.000 2.146 278 F HA -0.029 4.498 4.527 0.000 0.000 0.298 278 F C 1.910 177.668 175.800 -0.069 0.000 1.096 278 F CA 1.270 59.219 58.000 -0.084 0.000 1.275 278 F CB -0.673 38.283 39.000 -0.073 0.000 1.008 278 F HN 0.074 nan 8.300 nan 0.000 0.480 279 A N -0.306 122.466 122.820 -0.081 0.000 1.933 279 A HA -0.261 4.059 4.320 0.001 0.000 0.218 279 A C 1.914 179.377 177.584 -0.202 0.000 1.175 279 A CA 2.060 53.997 52.037 -0.166 0.000 0.628 279 A CB -1.273 17.702 19.000 -0.041 0.000 0.814 279 A HN 0.500 nan 8.150 nan 0.000 0.444 280 D N -0.402 119.917 120.400 -0.135 0.000 2.144 280 D HA -0.026 4.615 4.640 0.001 0.000 0.199 280 D C 1.973 178.180 176.300 -0.156 0.000 0.984 280 D CA 1.514 55.448 54.000 -0.110 0.000 0.834 280 D CB -0.152 40.609 40.800 -0.066 0.000 0.955 280 D HN 0.351 nan 8.370 nan 0.000 0.465 281 A N -0.377 122.317 122.820 -0.210 0.000 1.898 281 A HA -0.150 4.170 4.320 0.001 0.000 0.216 281 A C 2.540 179.946 177.584 -0.298 0.000 1.181 281 A CA 1.387 53.292 52.037 -0.220 0.000 0.620 281 A CB -1.016 17.852 19.000 -0.221 0.000 0.819 281 A HN 0.509 nan 8.150 nan 0.000 0.442 282 C N -0.558 118.475 119.300 -0.446 0.000 2.413 282 C HA -0.075 4.385 4.460 0.001 0.000 0.277 282 C C 2.626 177.398 174.990 -0.364 0.000 1.265 282 C CA 1.032 59.801 59.018 -0.415 0.000 1.752 282 C CB -1.490 25.975 27.740 -0.459 0.000 1.998 282 C HN 0.609 nan 8.230 nan 0.000 0.489 283 L N -0.030 120.996 121.223 -0.329 0.000 2.109 283 L HA -0.090 4.250 4.340 0.001 0.000 0.207 283 L C 2.842 179.535 176.870 -0.295 0.000 1.086 283 L CA 1.340 55.938 54.840 -0.403 0.000 0.760 283 L CB -0.700 41.259 42.059 -0.168 0.000 0.910 283 L HN 0.321 nan 8.230 nan 0.000 0.437 284 R N 0.060 120.465 120.500 -0.158 0.000 2.120 284 R HA -0.096 4.244 4.340 0.001 0.000 0.234 284 R C 2.350 178.590 176.300 -0.101 0.000 1.123 284 R CA 1.138 57.191 56.100 -0.078 0.000 0.975 284 R CB -0.516 29.750 30.300 -0.056 0.000 0.866 284 R HN 0.423 nan 8.270 nan 0.000 0.446 285 G N 1.097 109.801 108.800 -0.160 0.000 2.404 285 G HA2 -0.207 3.753 3.960 0.001 0.000 0.215 285 G HA3 -0.207 3.753 3.960 0.001 0.000 0.215 285 G C 1.430 176.230 174.900 -0.166 0.000 1.174 285 G CA 0.271 45.286 45.100 -0.141 0.000 0.780 285 G HN 0.113 nan 8.290 nan 0.000 0.537 286 L N 0.029 121.065 121.223 -0.313 0.000 2.079 286 L HA -0.081 4.260 4.340 0.001 0.000 0.210 286 L C 2.920 179.714 176.870 -0.127 0.000 1.081 286 L CA 1.378 55.983 54.840 -0.391 0.000 0.752 286 L CB -0.363 41.108 42.059 -0.982 0.000 0.896 286 L HN 0.225 nan 8.230 nan 0.000 0.433 287 R N 0.344 120.826 120.500 -0.030 0.000 2.152 287 R HA -0.125 4.216 4.340 0.001 0.000 0.232 287 R C 1.244 177.607 176.300 0.104 0.000 1.117 287 R CA 1.247 57.489 56.100 0.238 0.000 0.981 287 R CB -0.018 30.413 30.300 0.219 0.000 0.870 287 R HN 0.451 nan 8.270 nan 0.000 0.451 288 G N 0.430 109.247 108.800 0.027 0.000 2.143 288 G HA2 -0.172 3.789 3.960 0.001 0.000 0.175 288 G HA3 -0.172 3.789 3.960 0.001 0.000 0.175 288 G C -0.942 173.963 174.900 0.008 0.000 1.004 288 G CA -0.042 45.067 45.100 0.015 0.000 0.671 288 G HN 0.394 nan 8.290 nan 0.000 0.512 289 D N 0.969 121.370 120.400 0.002 0.000 2.399 289 D HA 0.559 5.199 4.640 0.001 0.000 0.241 289 D C 0.935 177.235 176.300 -0.000 0.000 1.133 289 D CA 1.005 55.006 54.000 0.002 0.000 0.890 289 D CB 1.149 41.947 40.800 -0.003 0.000 1.201 289 D HN 0.696 nan 8.370 nan 0.000 0.432 290 A N 0.527 123.351 122.820 0.006 0.000 2.286 290 A HA 0.591 4.912 4.320 0.001 0.000 0.286 290 A C 1.312 178.904 177.584 0.013 0.000 1.097 290 A CA -0.042 52.002 52.037 0.011 0.000 0.821 290 A CB 0.298 19.306 19.000 0.013 0.000 1.076 290 A HN 0.873 nan 8.150 nan 0.000 0.490 291 G N -0.557 108.257 108.800 0.025 0.000 2.203 291 G HA2 -0.154 3.806 3.960 0.001 0.000 0.263 291 G HA3 -0.154 3.806 3.960 0.001 0.000 0.263 291 G C 0.126 175.037 174.900 0.019 0.000 1.012 291 G CA 0.314 45.430 45.100 0.027 0.000 0.749 291 G HN 1.376 nan 8.290 nan 0.000 0.512 292 V N 1.387 121.310 119.914 0.016 0.000 2.370 292 V HA 0.456 4.576 4.120 0.001 0.000 0.257 292 V C 0.794 176.905 176.094 0.028 0.000 1.064 292 V CA 0.113 62.414 62.300 0.002 0.000 0.975 292 V CB 0.592 32.397 31.823 -0.030 0.000 1.067 292 V HN 0.340 nan 8.190 nan 0.000 0.485 293 I N 4.912 125.499 120.570 0.029 0.000 2.474 293 I HA 0.657 4.827 4.170 0.001 0.000 0.294 293 I C -0.247 175.909 176.117 0.065 0.000 1.005 293 I CA -0.421 60.912 61.300 0.054 0.000 1.113 293 I CB 2.060 40.053 38.000 -0.013 0.000 1.289 293 I HN 0.468 nan 8.210 nan 0.000 0.436 294 E N 3.704 123.977 120.200 0.122 0.000 2.412 294 E HA 0.348 4.699 4.350 0.001 0.000 0.279 294 E C -1.638 175.068 176.600 0.176 0.000 0.984 294 E CA -0.566 55.934 56.400 0.166 0.000 0.788 294 E CB 2.300 32.185 29.700 0.308 0.000 1.277 294 E HN 0.468 nan 8.360 nan 0.000 0.455 295 C N 1.215 120.585 119.300 0.117 0.000 2.463 295 C HA 0.887 5.348 4.460 0.001 0.000 0.380 295 C C 0.376 175.374 174.990 0.014 0.000 1.264 295 C CA -0.125 58.938 59.018 0.075 0.000 2.161 295 C CB -0.068 27.690 27.740 0.030 0.000 2.515 295 C HN 0.669 nan 8.230 nan 0.000 0.565 296 A N 1.880 124.721 122.820 0.035 0.000 2.589 296 A HA 0.671 4.991 4.320 0.001 0.000 0.296 296 A C -1.206 176.428 177.584 0.084 0.000 1.062 296 A CA -0.427 51.594 52.037 -0.027 0.000 0.686 296 A CB 0.664 19.735 19.000 0.117 0.000 1.282 296 A HN 0.712 nan 8.150 nan 0.000 0.404 297 F N 2.958 122.847 119.950 -0.102 0.000 2.404 297 F HA 0.512 5.040 4.527 0.000 0.000 0.359 297 F C 0.257 176.109 175.800 0.087 0.000 1.134 297 F CA -0.044 57.940 58.000 -0.027 0.000 1.160 297 F CB 0.709 39.656 39.000 -0.088 0.000 1.186 297 F HN 0.681 nan 8.300 nan 0.000 0.526 298 V N 2.199 122.020 119.914 -0.153 0.000 3.126 298 V HA 0.625 4.745 4.120 0.001 0.000 0.314 298 V C -0.161 175.942 176.094 0.016 0.000 1.138 298 V CA -0.976 61.319 62.300 -0.007 0.000 1.034 298 V CB 1.192 33.052 31.823 0.061 0.000 1.075 298 V HN 0.663 nan 8.190 nan 0.000 0.442 299 S N 1.742 117.531 115.700 0.148 0.000 2.516 299 S HA 0.569 5.039 4.470 0.001 0.000 0.282 299 S C 0.036 174.564 174.600 -0.120 0.000 1.286 299 S CA 0.475 58.633 58.200 -0.070 0.000 1.066 299 S CB -0.602 62.655 63.200 0.095 0.000 0.884 299 S HN 2.300 nan 8.310 nan 0.000 0.491 300 S N 3.518 119.097 115.700 -0.201 0.000 2.596 300 S HA 0.512 4.983 4.470 0.001 0.000 0.270 300 S C -0.814 173.704 174.600 -0.136 0.000 1.155 300 S CA -0.820 57.311 58.200 -0.115 0.000 0.827 300 S CB 1.549 64.730 63.200 -0.031 0.000 1.130 300 S HN 0.614 nan 8.310 nan 0.000 0.467 301 Q N 0.805 120.541 119.800 -0.106 0.000 2.157 301 Q HA 0.424 4.764 4.340 0.001 0.000 0.229 301 Q C 0.968 176.900 176.000 -0.113 0.000 0.827 301 Q CA -0.035 55.702 55.803 -0.110 0.000 1.055 301 Q CB 0.647 29.333 28.738 -0.088 0.000 1.157 301 Q HN 0.566 nan 8.270 nan 0.000 0.482 302 V N -0.245 119.593 119.914 -0.126 0.000 2.548 302 V HA -0.055 4.065 4.120 0.001 0.000 0.249 302 V C 1.156 177.109 176.094 -0.234 0.000 1.055 302 V CA 1.919 64.136 62.300 -0.139 0.000 1.065 302 V CB -0.061 31.706 31.823 -0.093 0.000 0.681 302 V HN 0.555 nan 8.190 nan 0.000 0.462 303 T N -2.837 111.518 114.554 -0.331 0.000 2.773 303 T HA 0.277 4.627 4.350 0.001 0.000 0.278 303 T C 0.874 175.441 174.700 -0.222 0.000 1.011 303 T CA -0.051 61.834 62.100 -0.358 0.000 1.014 303 T CB 1.559 70.026 68.868 -0.668 0.000 1.293 303 T HN 0.255 nan 8.240 nan 0.000 0.554 304 E N 0.272 120.371 120.200 -0.168 0.000 2.478 304 E HA 0.030 4.380 4.350 0.001 0.000 0.198 304 E C 0.298 176.847 176.600 -0.085 0.000 1.046 304 E CA 0.212 56.551 56.400 -0.103 0.000 0.870 304 E CB -0.355 29.304 29.700 -0.068 0.000 0.818 304 E HN 0.610 nan 8.360 nan 0.000 0.527 305 L N 2.582 123.747 121.223 -0.095 0.000 2.350 305 L HA 0.173 4.513 4.340 0.001 0.000 0.275 305 L C -1.212 175.608 176.870 -0.082 0.000 1.099 305 L CA -1.833 53.000 54.840 -0.012 0.000 0.808 305 L CB 0.879 43.020 42.059 0.138 0.000 1.149 305 L HN -0.156 nan 8.230 nan 0.000 0.442 306 P HA -0.104 nan 4.420 nan 0.000 0.221 306 P C -0.147 176.658 177.300 -0.825 0.000 1.150 306 P CA 1.260 64.102 63.100 -0.430 0.000 0.800 306 P CB 0.207 31.656 31.700 -0.418 0.000 0.787 307 F N -0.986 118.948 119.950 -0.027 0.000 2.551 307 F HA 0.602 5.130 4.527 0.000 0.000 0.316 307 F C -0.144 175.547 175.800 -0.183 0.000 1.089 307 F CA -0.969 56.867 58.000 -0.274 0.000 0.915 307 F CB 1.650 40.386 39.000 -0.440 0.000 1.186 307 F HN -0.277 nan 8.300 nan 0.000 0.456 308 F N 1.086 120.768 119.950 -0.447 0.000 2.688 308 F HA 0.675 5.202 4.527 0.001 0.000 0.308 308 F C -1.185 174.581 175.800 -0.056 0.000 1.117 308 F CA -1.049 56.876 58.000 -0.124 0.000 0.976 308 F CB 1.273 40.265 39.000 -0.013 0.000 1.291 308 F HN 0.606 nan 8.300 nan 0.000 0.439 309 A N 2.970 125.735 122.820 -0.091 0.000 2.301 309 A HA 0.825 5.146 4.320 0.001 0.000 0.298 309 A C -0.595 177.057 177.584 0.114 0.000 1.185 309 A CA 0.521 52.602 52.037 0.073 0.000 0.830 309 A CB 0.546 19.600 19.000 0.090 0.000 1.112 309 A HN 1.315 nan 8.150 nan 0.000 0.508 310 S N 1.746 117.544 115.700 0.165 0.000 2.661 310 S HA 0.541 5.011 4.470 0.001 0.000 0.268 310 S C -0.963 173.739 174.600 0.170 0.000 1.162 310 S CA -1.048 57.270 58.200 0.196 0.000 0.817 310 S CB 0.489 63.848 63.200 0.266 0.000 1.141 310 S HN 0.640 nan 8.310 nan 0.000 0.477 311 K N 0.688 121.196 120.400 0.180 0.000 2.382 311 K HA 0.518 4.838 4.320 0.001 0.000 0.275 311 K C -0.272 176.523 176.600 0.325 0.000 1.009 311 K CA -0.129 56.269 56.287 0.185 0.000 0.970 311 K CB 0.816 33.357 32.500 0.069 0.000 0.934 311 K HN 0.693 nan 8.250 nan 0.000 0.479 312 V N -0.003 120.087 119.914 0.292 0.000 2.876 312 V HA 0.550 4.670 4.120 0.001 0.000 0.312 312 V C -0.860 175.405 176.094 0.284 0.000 1.085 312 V CA -1.241 61.229 62.300 0.283 0.000 0.945 312 V CB 1.844 33.769 31.823 0.170 0.000 1.017 312 V HN 0.773 nan 8.190 nan 0.000 0.428 313 R N 2.950 123.607 120.500 0.260 0.000 2.312 313 R HA 0.729 5.070 4.340 0.001 0.000 0.311 313 R C -1.265 175.076 176.300 0.069 0.000 1.004 313 R CA -0.648 55.577 56.100 0.209 0.000 0.902 313 R CB 1.250 31.700 30.300 0.250 0.000 1.073 313 R HN 0.902 nan 8.270 nan 0.000 0.457 314 L N 4.465 125.704 121.223 0.027 0.000 2.272 314 L HA 0.562 4.902 4.340 0.001 0.000 0.289 314 L C 0.595 177.432 176.870 -0.054 0.000 1.032 314 L CA -0.485 54.331 54.840 -0.040 0.000 0.810 314 L CB 1.779 43.776 42.059 -0.102 0.000 1.205 314 L HN 0.884 nan 8.230 nan 0.000 0.422 315 G N 1.860 110.622 108.800 -0.064 0.000 3.251 315 G HA2 0.370 4.330 3.960 0.001 0.000 0.248 315 G HA3 0.370 4.330 3.960 0.001 0.000 0.248 315 G C 0.441 175.289 174.900 -0.087 0.000 1.320 315 G CA -0.606 44.457 45.100 -0.063 0.000 0.982 315 G HN 0.572 nan 8.290 nan 0.000 0.575 316 R N -0.265 120.196 120.500 -0.064 0.000 2.200 316 R HA -0.025 4.316 4.340 0.001 0.000 0.234 316 R C 0.559 176.815 176.300 -0.074 0.000 1.127 316 R CA 1.120 57.182 56.100 -0.064 0.000 0.989 316 R CB 0.075 30.358 30.300 -0.029 0.000 0.869 316 R HN 0.265 nan 8.270 nan 0.000 0.459 317 N N -0.364 118.293 118.700 -0.072 0.000 2.351 317 N HA 0.143 4.884 4.740 0.001 0.000 0.254 317 N C 0.199 175.659 175.510 -0.083 0.000 1.241 317 N CA 0.695 53.701 53.050 -0.074 0.000 0.883 317 N CB 1.698 40.149 38.487 -0.061 0.000 1.202 317 N HN 0.309 nan 8.380 nan 0.000 0.512 318 G N 1.199 109.941 108.800 -0.096 0.000 2.475 318 G HA2 -0.235 3.726 3.960 0.001 0.000 0.223 318 G HA3 -0.235 3.726 3.960 0.001 0.000 0.223 318 G C -0.394 174.467 174.900 -0.066 0.000 1.201 318 G CA -0.795 44.252 45.100 -0.088 0.000 0.962 318 G HN 0.169 nan 8.290 nan 0.000 0.586 319 I N 1.924 122.468 120.570 -0.043 0.000 2.742 319 I HA 0.076 4.247 4.170 0.001 0.000 0.287 319 I C 1.349 177.437 176.117 -0.048 0.000 1.186 319 I CA 0.282 61.565 61.300 -0.028 0.000 1.417 319 I CB 0.765 38.758 38.000 -0.012 0.000 1.377 319 I HN 0.492 nan 8.210 nan 0.000 0.556 320 E N 4.676 124.848 120.200 -0.047 0.000 2.364 320 E HA 0.091 4.441 4.350 0.001 0.000 0.196 320 E C 0.125 176.664 176.600 -0.102 0.000 0.990 320 E CA 0.459 56.822 56.400 -0.061 0.000 0.886 320 E CB 0.480 30.154 29.700 -0.043 0.000 0.866 320 E HN 0.687 nan 8.360 nan 0.000 0.493 321 E N -0.143 119.977 120.200 -0.133 0.000 2.397 321 E HA 0.225 4.576 4.350 0.001 0.000 0.293 321 E C -1.603 174.825 176.600 -0.287 0.000 0.930 321 E CA -0.266 55.972 56.400 -0.270 0.000 0.793 321 E CB 1.779 31.201 29.700 -0.464 0.000 1.259 321 E HN -0.250 nan 8.360 nan 0.000 0.406 322 V N 5.096 124.876 119.914 -0.224 0.000 2.364 322 V HA 0.290 4.411 4.120 0.001 0.000 0.272 322 V C -0.608 175.397 176.094 -0.148 0.000 1.036 322 V CA -0.369 61.872 62.300 -0.099 0.000 0.880 322 V CB 0.088 31.889 31.823 -0.035 0.000 0.991 322 V HN 0.557 nan 8.190 nan 0.000 0.460 323 Y N 2.694 123.014 120.300 0.033 0.000 2.301 323 Y HA 0.355 4.905 4.550 0.001 0.000 0.328 323 Y C 1.330 177.253 175.900 0.039 0.000 1.242 323 Y CA 0.022 58.141 58.100 0.032 0.000 1.323 323 Y CB 1.022 39.505 38.460 0.038 0.000 1.266 323 Y HN 0.748 nan 8.280 nan 0.000 0.527 324 S N 1.466 117.276 115.700 0.183 0.000 2.641 324 S HA 0.199 4.669 4.470 0.001 0.000 0.261 324 S C 0.923 175.602 174.600 0.132 0.000 1.257 324 S CA -0.714 57.551 58.200 0.109 0.000 0.983 324 S CB 0.383 63.621 63.200 0.063 0.000 0.990 324 S HN 0.707 nan 8.310 nan 0.000 0.572 325 L N 1.025 122.309 121.223 0.101 0.000 2.362 325 L HA 0.181 4.521 4.340 0.001 0.000 0.219 325 L C 1.611 178.538 176.870 0.094 0.000 1.134 325 L CA 0.669 55.579 54.840 0.116 0.000 0.807 325 L CB -1.975 40.153 42.059 0.114 0.000 0.927 325 L HN 1.144 nan 8.230 nan 0.000 0.447 326 G N 0.301 109.147 108.800 0.078 0.000 2.828 326 G HA2 -0.195 3.766 3.960 0.001 0.000 0.463 326 G HA3 -0.195 3.766 3.960 0.001 0.000 0.463 326 G C -2.559 172.376 174.900 0.058 0.000 1.394 326 G CA -0.693 44.445 45.100 0.064 0.000 0.862 326 G HN 0.111 nan 8.290 nan 0.000 0.540 327 P HA 0.377 nan 4.420 nan 0.000 0.271 327 P C 0.092 177.429 177.300 0.061 0.000 1.233 327 P CA 0.150 63.280 63.100 0.050 0.000 0.764 327 P CB 0.435 32.162 31.700 0.044 0.000 0.825 328 L N 3.350 124.610 121.223 0.062 0.000 2.331 328 L HA 0.404 4.744 4.340 0.001 0.000 0.275 328 L C 1.087 178.004 176.870 0.077 0.000 1.022 328 L CA -1.051 53.834 54.840 0.076 0.000 0.812 328 L CB 1.177 43.281 42.059 0.075 0.000 1.257 328 L HN 0.376 nan 8.230 nan 0.000 0.435 329 N N -0.298 118.461 118.700 0.098 0.000 2.476 329 N HA 0.070 4.810 4.740 0.001 0.000 0.287 329 N C 0.485 176.060 175.510 0.108 0.000 1.262 329 N CA -0.697 52.412 53.050 0.099 0.000 0.980 329 N CB 0.514 39.068 38.487 0.111 0.000 1.163 329 N HN 0.646 nan 8.380 nan 0.000 0.592 330 E N -1.131 119.134 120.200 0.108 0.000 2.077 330 E HA -0.282 4.068 4.350 0.001 0.000 0.193 330 E C 1.299 177.977 176.600 0.129 0.000 0.989 330 E CA 1.004 57.463 56.400 0.100 0.000 0.800 330 E CB -0.238 29.515 29.700 0.090 0.000 0.746 330 E HN 0.632 nan 8.360 nan 0.000 0.452 331 Y N 1.565 121.885 120.300 0.034 0.000 2.165 331 Y HA -0.211 4.339 4.550 0.001 0.000 0.286 331 Y C 1.862 177.782 175.900 0.033 0.000 1.155 331 Y CA 2.228 60.347 58.100 0.031 0.000 1.164 331 Y CB 0.024 38.504 38.460 0.033 0.000 0.978 331 Y HN 0.091 nan 8.280 nan 0.000 0.513 332 E N -0.449 119.857 120.200 0.177 0.000 2.150 332 E HA -0.168 4.182 4.350 0.001 0.000 0.193 332 E C 2.297 178.906 176.600 0.014 0.000 0.985 332 E CA 0.795 57.240 56.400 0.075 0.000 0.814 332 E CB -0.137 29.645 29.700 0.137 0.000 0.752 332 E HN 0.436 nan 8.360 nan 0.000 0.466 333 R N 0.413 120.931 120.500 0.031 0.000 2.096 333 R HA -0.098 4.243 4.340 0.001 0.000 0.235 333 R C 2.306 178.598 176.300 -0.013 0.000 1.127 333 R CA 1.031 57.142 56.100 0.019 0.000 0.968 333 R CB -0.215 30.101 30.300 0.027 0.000 0.861 333 R HN 0.204 nan 8.270 nan 0.000 0.440 334 I N -0.417 120.123 120.570 -0.050 0.000 2.252 334 I HA -0.170 4.000 4.170 0.001 0.000 0.245 334 I C 2.509 178.557 176.117 -0.115 0.000 1.102 334 I CA 1.414 62.666 61.300 -0.081 0.000 1.385 334 I CB -0.522 37.410 38.000 -0.113 0.000 1.064 334 I HN 0.295 nan 8.210 nan 0.000 0.414 335 G N 0.945 109.629 108.800 -0.192 0.000 2.418 335 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 335 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 335 G C 1.647 176.518 174.900 -0.047 0.000 1.158 335 G CA 0.634 45.629 45.100 -0.175 0.000 0.771 335 G HN 0.268 nan 8.290 nan 0.000 0.545 336 L N 0.589 121.813 121.223 0.001 0.000 2.079 336 L HA -0.029 4.311 4.340 0.001 0.000 0.210 336 L C 2.468 179.383 176.870 0.076 0.000 1.081 336 L CA 2.392 57.281 54.840 0.082 0.000 0.752 336 L CB -0.488 41.624 42.059 0.088 0.000 0.896 336 L HN 0.381 nan 8.230 nan 0.000 0.433 337 E N -0.770 119.446 120.200 0.026 0.000 2.072 337 E HA -0.209 4.141 4.350 0.001 0.000 0.190 337 E C 2.134 178.746 176.600 0.021 0.000 0.982 337 E CA 0.886 57.299 56.400 0.022 0.000 0.803 337 E CB 0.050 29.750 29.700 0.001 0.000 0.755 337 E HN 0.487 nan 8.360 nan 0.000 0.453 338 K N 0.066 120.464 120.400 -0.003 0.000 2.057 338 K HA -0.147 4.174 4.320 0.001 0.000 0.207 338 K C 2.112 178.721 176.600 0.015 0.000 1.049 338 K CA 1.033 57.314 56.287 -0.009 0.000 0.931 338 K CB -0.133 32.343 32.500 -0.039 0.000 0.714 338 K HN 0.071 nan 8.250 nan 0.000 0.440 339 A N 1.825 124.666 122.820 0.034 0.000 1.873 339 A HA -0.189 4.132 4.320 0.001 0.000 0.215 339 A C 1.969 179.624 177.584 0.118 0.000 1.186 339 A CA 1.544 53.617 52.037 0.059 0.000 0.616 339 A CB -0.313 18.728 19.000 0.069 0.000 0.823 339 A HN 0.214 nan 8.150 nan 0.000 0.442 340 K N -0.048 120.451 120.400 0.165 0.000 2.063 340 K HA -0.162 4.158 4.320 0.001 0.000 0.208 340 K C 2.109 178.776 176.600 0.111 0.000 1.048 340 K CA 1.685 58.084 56.287 0.185 0.000 0.928 340 K CB -0.179 32.401 32.500 0.133 0.000 0.713 340 K HN 0.404 nan 8.250 nan 0.000 0.442 341 K N 0.776 121.216 120.400 0.067 0.000 2.032 341 K HA -0.223 4.098 4.320 0.001 0.000 0.209 341 K C 2.231 178.854 176.600 0.037 0.000 1.048 341 K CA 1.586 57.898 56.287 0.042 0.000 0.927 341 K CB -0.051 32.461 32.500 0.021 0.000 0.712 341 K HN 0.262 nan 8.250 nan 0.000 0.441 342 E N 0.757 120.976 120.200 0.031 0.000 2.112 342 E HA -0.155 4.195 4.350 0.001 0.000 0.190 342 E C 2.059 178.678 176.600 0.031 0.000 0.979 342 E CA 0.342 56.750 56.400 0.013 0.000 0.814 342 E CB 0.097 29.791 29.700 -0.009 0.000 0.762 342 E HN 0.057 nan 8.360 nan 0.000 0.460 343 L N 1.175 122.440 121.223 0.070 0.000 2.042 343 L HA -0.117 4.223 4.340 0.001 0.000 0.210 343 L C 2.271 179.223 176.870 0.136 0.000 1.076 343 L CA 2.165 57.073 54.840 0.112 0.000 0.749 343 L CB -0.867 41.310 42.059 0.196 0.000 0.893 343 L HN 0.182 nan 8.230 nan 0.000 0.432 344 A N -0.651 122.243 122.820 0.125 0.000 1.883 344 A HA -0.136 4.184 4.320 0.001 0.000 0.217 344 A C 2.353 179.985 177.584 0.080 0.000 1.186 344 A CA 1.782 53.887 52.037 0.113 0.000 0.624 344 A CB -1.568 17.483 19.000 0.084 0.000 0.822 344 A HN 0.526 nan 8.150 nan 0.000 0.444 345 G N -1.228 107.597 108.800 0.043 0.000 2.402 345 G HA2 -0.094 3.866 3.960 0.001 0.000 0.216 345 G HA3 -0.094 3.866 3.960 0.001 0.000 0.216 345 G C 1.813 176.710 174.900 -0.006 0.000 1.162 345 G CA 1.218 46.325 45.100 0.011 0.000 0.777 345 G HN 0.480 nan 8.290 nan 0.000 0.539 346 S N 0.291 115.990 115.700 -0.002 0.000 2.382 346 S HA -0.012 4.458 4.470 0.001 0.000 0.228 346 S C 2.254 176.871 174.600 0.028 0.000 1.027 346 S CA 0.668 58.850 58.200 -0.029 0.000 0.991 346 S CB -0.178 63.002 63.200 -0.032 0.000 0.823 346 S HN 0.378 nan 8.310 nan 0.000 0.469 347 I N 1.084 121.720 120.570 0.109 0.000 2.315 347 I HA -0.143 4.027 4.170 0.001 0.000 0.248 347 I C 2.625 178.822 176.117 0.134 0.000 1.117 347 I CA 1.171 62.579 61.300 0.181 0.000 1.404 347 I CB -0.233 37.951 38.000 0.307 0.000 1.071 347 I HN 0.233 nan 8.210 nan 0.000 0.419 348 E N 1.667 121.923 120.200 0.094 0.000 2.106 348 E HA -0.247 4.103 4.350 0.001 0.000 0.192 348 E C 2.074 178.708 176.600 0.056 0.000 0.984 348 E CA 1.446 57.891 56.400 0.074 0.000 0.806 348 E CB -0.178 29.551 29.700 0.049 0.000 0.750 348 E HN 0.213 nan 8.360 nan 0.000 0.458 349 K N -0.575 119.825 120.400 0.000 0.000 2.063 349 K HA -0.116 4.205 4.320 0.001 0.000 0.208 349 K C 2.006 178.673 176.600 0.112 0.000 1.048 349 K CA 1.493 57.745 56.287 -0.060 0.000 0.928 349 K CB -0.501 31.808 32.500 -0.318 0.000 0.713 349 K HN 0.271 nan 8.250 nan 0.000 0.442 350 G N 0.243 109.131 108.800 0.147 0.000 2.394 350 G HA2 -0.141 3.819 3.960 0.001 0.000 0.215 350 G HA3 -0.141 3.819 3.960 0.001 0.000 0.215 350 G C 1.494 176.527 174.900 0.222 0.000 1.165 350 G CA 0.558 45.813 45.100 0.260 0.000 0.784 350 G HN 0.171 nan 8.290 nan 0.000 0.535 351 V N 2.029 122.032 119.914 0.148 0.000 2.261 351 V HA -0.211 3.909 4.120 0.001 0.000 0.246 351 V C 3.294 179.461 176.094 0.121 0.000 1.047 351 V CA 2.437 64.810 62.300 0.122 0.000 1.015 351 V CB -0.691 31.201 31.823 0.115 0.000 0.642 351 V HN 0.603 nan 8.190 nan 0.000 0.446 352 S N 0.104 115.875 115.700 0.119 0.000 2.399 352 S HA -0.264 4.206 4.470 0.001 0.000 0.231 352 S C 1.967 176.632 174.600 0.109 0.000 1.022 352 S CA 1.664 59.918 58.200 0.090 0.000 0.983 352 S CB -0.911 62.331 63.200 0.071 0.000 0.803 352 S HN 0.519 nan 8.310 nan 0.000 0.480 353 F N 2.175 122.179 119.950 0.090 0.000 2.120 353 F HA -0.097 4.430 4.527 0.001 0.000 0.300 353 F C 1.874 177.701 175.800 0.044 0.000 1.095 353 F CA 1.466 59.533 58.000 0.112 0.000 1.249 353 F CB -0.216 38.902 39.000 0.197 0.000 0.995 353 F HN 0.179 nan 8.300 nan 0.000 0.480 354 I N 0.213 120.815 120.570 0.053 0.000 2.494 354 I HA -0.047 4.123 4.170 0.001 0.000 0.250 354 I C 1.292 177.362 176.117 -0.078 0.000 1.112 354 I CA 0.850 62.118 61.300 -0.053 0.000 1.438 354 I CB -1.150 36.880 38.000 0.050 0.000 1.111 354 I HN -0.010 nan 8.210 nan 0.000 0.431 355 R N 1.641 122.125 120.500 -0.026 0.000 4.886 355 R HA 0.202 4.542 4.340 0.001 0.000 0.181 355 R C -0.457 175.816 176.300 -0.045 0.000 1.989 355 R CA 0.141 56.226 56.100 -0.026 0.000 1.623 355 R CB -0.243 30.058 30.300 0.001 0.000 1.383 355 R HN 0.229 nan 8.270 nan 0.000 0.847 356 S N 0.000 115.649 115.700 -0.085 0.000 2.498 356 S HA 0.000 4.470 4.470 0.001 0.000 0.327 356 S CA 0.000 58.144 58.200 -0.093 0.000 1.107 356 S CB 0.000 63.138 63.200 -0.103 0.000 0.593 356 S HN 0.000 nan 8.310 nan 0.000 0.517