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 2vdx_1_B DATA FIRST_RESID 16 DATA SEQUENCE GLASANVDFA FSLYKHLVAL SPKKNIFISP VSISMALAML SLGTCGHTRA DATA SEQUENCE QLLQGLGFNL TERSETEIHQ GFQHLHQLFX XXXXSLEMTM GNALFLDGSL DATA SEQUENCE ELLESFSADI KHYYESEVLA MNFQDWATAS RQINSYVKNK TQGKIVDLFS DATA SEQUENCE GXXSPAILVL VNYIFFKGTW TQPFDLASTR EENFYVDETT VVKVPMMLQS DATA SEQUENCE STISYLHDSE LPCQLVQMNY VGNGTVFFIL PDKGKMNTVI AALSRDTINR DATA SEQUENCE WSAGLTSSQV DLYIPKVTIS GVYDLGDVLE EMGIADLFTT QANFSRITQD DATA SEQUENCE AQLKSSKVVH KAVLQLNEEG TEAAGAMFLE AIPRXKPIIL RFNQPFIIMI DATA SEQUENCE FDHFTWSSLF LARVMNPV 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 16 G HA2 0.000 nan 3.960 nan 0.000 0.244 16 G HA3 0.000 4.190 3.960 0.384 0.000 0.244 16 G C 0.000 174.935 174.900 0.058 0.000 0.946 16 G CA 0.000 45.122 45.100 0.036 0.000 0.502 17 L N 0.829 122.094 121.223 0.071 0.000 2.056 17 L HA 0.197 4.768 4.340 0.384 0.000 0.207 17 L C 3.029 179.918 176.870 0.032 0.000 1.078 17 L CA 3.152 58.052 54.840 0.100 0.000 0.749 17 L CB -0.430 41.633 42.059 0.007 0.000 0.901 17 L HN 0.843 nan 8.230 nan 0.000 0.433 18 A N -1.312 121.528 122.820 0.033 0.000 1.883 18 A HA -0.272 4.279 4.320 0.384 0.000 0.217 18 A C 2.510 180.115 177.584 0.035 0.000 1.186 18 A CA 2.104 54.178 52.037 0.063 0.000 0.624 18 A CB -1.276 17.794 19.000 0.117 0.000 0.822 18 A HN 0.540 nan 8.150 nan 0.000 0.444 19 S N -0.473 115.233 115.700 0.009 0.000 2.365 19 S HA -0.129 4.571 4.470 0.384 0.000 0.225 19 S C 2.208 176.770 174.600 -0.064 0.000 1.039 19 S CA 1.909 60.096 58.200 -0.022 0.000 1.033 19 S CB -0.585 62.600 63.200 -0.024 0.000 0.887 19 S HN 0.898 nan 8.310 nan 0.000 0.447 20 A N 2.166 124.912 122.820 -0.123 0.000 1.865 20 A HA -0.153 4.397 4.320 0.384 0.000 0.217 20 A C 2.010 179.437 177.584 -0.262 0.000 1.191 20 A CA 1.994 53.849 52.037 -0.304 0.000 0.623 20 A CB -1.103 17.483 19.000 -0.690 0.000 0.826 20 A HN 0.638 nan 8.150 nan 0.000 0.444 21 N N 0.114 118.707 118.700 -0.179 0.000 2.149 21 N HA -0.123 4.847 4.740 0.384 0.000 0.188 21 N C 1.659 177.161 175.510 -0.014 0.000 1.019 21 N CA 1.598 54.625 53.050 -0.038 0.000 0.857 21 N CB -0.641 37.865 38.487 0.031 0.000 0.997 21 N HN 0.288 nan 8.380 nan 0.000 0.426 22 V N 1.616 121.497 119.914 -0.056 0.000 2.358 22 V HA -0.182 4.168 4.120 0.384 0.000 0.246 22 V C 1.657 177.644 176.094 -0.180 0.000 1.047 22 V CA 1.565 63.763 62.300 -0.170 0.000 1.035 22 V CB -0.498 31.283 31.823 -0.070 0.000 0.658 22 V HN 0.161 nan 8.190 nan 0.000 0.452 23 D N -0.200 120.179 120.400 -0.035 0.000 2.104 23 D HA -0.210 4.660 4.640 0.384 0.000 0.194 23 D C 1.879 178.213 176.300 0.056 0.000 0.994 23 D CA 1.498 55.521 54.000 0.038 0.000 0.830 23 D CB -0.401 40.405 40.800 0.010 0.000 0.959 23 D HN 0.439 nan 8.370 nan 0.000 0.452 24 F N 1.568 121.454 119.950 -0.107 0.000 2.102 24 F HA -0.171 4.586 4.527 0.383 0.000 0.298 24 F C 2.213 177.974 175.800 -0.065 0.000 1.105 24 F CA 1.593 59.544 58.000 -0.083 0.000 1.239 24 F CB -0.474 38.458 39.000 -0.113 0.000 0.991 24 F HN -0.050 nan 8.300 nan 0.000 0.474 25 A N 0.408 123.141 122.820 -0.146 0.000 1.869 25 A HA -0.245 4.305 4.320 0.384 0.000 0.218 25 A C 2.116 179.574 177.584 -0.209 0.000 1.203 25 A CA 2.172 54.030 52.037 -0.298 0.000 0.638 25 A CB -1.587 17.151 19.000 -0.437 0.000 0.831 25 A HN 0.413 nan 8.150 nan 0.000 0.450 26 F N 0.030 119.937 119.950 -0.071 0.000 2.186 26 F HA -0.070 4.688 4.527 0.385 0.000 0.299 26 F C 2.972 178.777 175.800 0.008 0.000 1.090 26 F CA 0.945 58.934 58.000 -0.019 0.000 1.307 26 F CB -0.994 37.992 39.000 -0.023 0.000 1.019 26 F HN 0.273 nan 8.300 nan 0.000 0.489 27 S N 0.131 115.905 115.700 0.124 0.000 2.355 27 S HA -0.150 4.551 4.470 0.384 0.000 0.222 27 S C 2.171 176.822 174.600 0.086 0.000 1.031 27 S CA 0.995 59.255 58.200 0.101 0.000 0.993 27 S CB -0.591 62.650 63.200 0.068 0.000 0.859 27 S HN 0.260 nan 8.310 nan 0.000 0.453 28 L N 0.874 121.963 121.223 -0.224 0.000 2.012 28 L HA -0.070 4.500 4.340 0.384 0.000 0.210 28 L C 2.041 178.880 176.870 -0.051 0.000 1.073 28 L CA 2.281 56.957 54.840 -0.273 0.000 0.748 28 L CB -1.293 40.399 42.059 -0.611 0.000 0.891 28 L HN 0.514 nan 8.230 nan 0.000 0.431 29 Y N 0.662 120.891 120.300 -0.118 0.000 2.097 29 Y HA -0.315 4.464 4.550 0.382 0.000 0.282 29 Y C 2.503 178.391 175.900 -0.019 0.000 1.152 29 Y CA 2.440 60.509 58.100 -0.051 0.000 1.136 29 Y CB -0.282 38.203 38.460 0.041 0.000 0.975 29 Y HN 0.223 nan 8.280 nan 0.000 0.498 30 K N -1.222 119.200 120.400 0.036 0.000 2.057 30 K HA -0.224 4.327 4.320 0.384 0.000 0.207 30 K C 1.859 178.355 176.600 -0.173 0.000 1.049 30 K CA 1.923 58.145 56.287 -0.108 0.000 0.931 30 K CB -0.423 32.034 32.500 -0.071 0.000 0.714 30 K HN 0.473 nan 8.250 nan 0.000 0.440 31 H N 0.479 119.490 119.070 -0.098 0.000 2.353 31 H HA -0.037 4.754 4.556 0.392 0.000 0.300 31 H C 1.959 177.222 175.328 -0.109 0.000 1.090 31 H CA 1.308 57.303 56.048 -0.089 0.000 1.327 31 H CB 0.011 29.726 29.762 -0.079 0.000 1.383 31 H HN 0.029 nan 8.280 nan 0.000 0.508 32 L N -0.557 120.642 121.223 -0.040 0.000 2.093 32 L HA -0.152 4.418 4.340 0.384 0.000 0.208 32 L C 2.224 179.015 176.870 -0.131 0.000 1.085 32 L CA 0.539 55.315 54.840 -0.107 0.000 0.755 32 L CB -0.220 41.709 42.059 -0.217 0.000 0.904 32 L HN 0.179 nan 8.230 nan 0.000 0.435 33 V N 0.165 119.940 119.914 -0.231 0.000 2.287 33 V HA -0.322 4.028 4.120 0.384 0.000 0.248 33 V C 2.723 178.750 176.094 -0.111 0.000 1.053 33 V CA 1.928 64.098 62.300 -0.218 0.000 1.027 33 V CB -0.836 30.786 31.823 -0.335 0.000 0.646 33 V HN 0.504 nan 8.190 nan 0.000 0.447 34 A N -0.873 121.884 122.820 -0.104 0.000 2.019 34 A HA -0.137 4.413 4.320 0.384 0.000 0.219 34 A C 2.205 179.773 177.584 -0.028 0.000 1.164 34 A CA 1.621 53.618 52.037 -0.065 0.000 0.644 34 A CB -0.446 18.504 19.000 -0.083 0.000 0.805 34 A HN 0.515 nan 8.150 nan 0.000 0.449 35 L N -1.515 119.699 121.223 -0.015 0.000 2.095 35 L HA 0.023 4.593 4.340 0.384 0.000 0.204 35 L C 1.092 177.974 176.870 0.019 0.000 1.080 35 L CA 1.159 56.005 54.840 0.011 0.000 0.759 35 L CB 0.121 42.196 42.059 0.027 0.000 0.914 35 L HN 0.326 nan 8.230 nan 0.000 0.439 36 S N -0.817 114.895 115.700 0.020 0.000 2.664 36 S HA 0.314 5.014 4.470 0.384 0.000 0.262 36 S C -1.781 172.833 174.600 0.023 0.000 1.229 36 S CA -1.342 56.878 58.200 0.033 0.000 1.151 36 S CB 1.064 64.303 63.200 0.065 0.000 1.054 36 S HN -0.074 nan 8.310 nan 0.000 0.483 37 P HA -0.018 nan 4.420 nan 0.000 0.219 37 P C 0.532 177.851 177.300 0.032 0.000 1.150 37 P CA 0.983 64.092 63.100 0.015 0.000 0.814 37 P CB 0.229 31.938 31.700 0.015 0.000 0.787 38 K N -0.933 119.491 120.400 0.040 0.000 2.358 38 K HA 0.110 4.661 4.320 0.384 0.000 0.197 38 K C 1.121 177.756 176.600 0.059 0.000 1.025 38 K CA -0.104 56.214 56.287 0.051 0.000 1.104 38 K CB 0.411 32.939 32.500 0.047 0.000 0.855 38 K HN 0.025 nan 8.250 nan 0.000 0.531 39 K N 1.720 122.156 120.400 0.061 0.000 2.143 39 K HA 0.118 4.669 4.320 0.384 0.000 0.272 39 K C -0.539 176.116 176.600 0.092 0.000 1.001 39 K CA -0.491 55.841 56.287 0.075 0.000 0.915 39 K CB 0.717 33.271 32.500 0.091 0.000 1.047 39 K HN -0.078 nan 8.250 nan 0.000 0.458 40 N N 2.813 121.569 118.700 0.092 0.000 2.412 40 N HA 0.018 4.988 4.740 0.384 0.000 0.254 40 N C -0.415 175.217 175.510 0.203 0.000 1.232 40 N CA 0.494 53.614 53.050 0.116 0.000 0.880 40 N CB 0.250 38.788 38.487 0.085 0.000 1.076 40 N HN 0.416 nan 8.380 nan 0.000 0.458 41 I N 2.242 122.950 120.570 0.231 0.000 2.406 41 I HA 0.369 4.769 4.170 0.384 0.000 0.290 41 I C -0.837 175.541 176.117 0.436 0.000 0.999 41 I CA -0.661 60.826 61.300 0.312 0.000 1.124 41 I CB 1.142 39.218 38.000 0.126 0.000 1.289 41 I HN 0.280 nan 8.210 nan 0.000 0.441 42 F N 8.511 128.652 119.950 0.319 0.000 2.607 42 F HA 0.683 5.442 4.527 0.387 0.000 0.322 42 F C -1.002 175.005 175.800 0.345 0.000 1.176 42 F CA -0.743 57.424 58.000 0.277 0.000 0.977 42 F CB 1.209 40.329 39.000 0.200 0.000 1.242 42 F HN 0.290 nan 8.300 nan 0.000 0.465 43 I N 1.373 121.743 120.570 -0.332 0.000 2.969 43 I HA 0.676 5.076 4.170 0.384 0.000 0.307 43 I C -1.372 174.658 176.117 -0.144 0.000 1.149 43 I CA -0.930 60.357 61.300 -0.023 0.000 1.008 43 I CB 2.263 40.281 38.000 0.029 0.000 1.232 43 I HN 0.426 nan 8.210 nan 0.000 0.435 44 S N 3.421 119.220 115.700 0.164 0.000 2.532 44 S HA 0.540 5.240 4.470 0.384 0.000 0.318 44 S C -1.988 172.463 174.600 -0.247 0.000 1.083 44 S CA -1.519 56.549 58.200 -0.220 0.000 1.131 44 S CB 0.901 63.957 63.200 -0.240 0.000 0.973 44 S HN 0.568 nan 8.310 nan 0.000 0.468 45 P HA -0.075 nan 4.420 nan 0.000 0.217 45 P C 1.591 178.859 177.300 -0.054 0.000 1.150 45 P CA 0.398 63.406 63.100 -0.153 0.000 0.832 45 P CB 0.112 31.698 31.700 -0.189 0.000 0.787 46 V N -0.246 119.590 119.914 -0.130 0.000 2.407 46 V HA -0.247 4.103 4.120 0.384 0.000 0.248 46 V C 2.490 178.613 176.094 0.049 0.000 1.055 46 V CA 2.607 64.909 62.300 0.003 0.000 1.049 46 V CB -1.177 30.622 31.823 -0.039 0.000 0.662 46 V HN 0.180 nan 8.190 nan 0.000 0.455 47 S N -0.519 115.153 115.700 -0.046 0.000 2.356 47 S HA -0.155 4.545 4.470 0.384 0.000 0.223 47 S C 1.844 176.442 174.600 -0.003 0.000 1.032 47 S CA 2.021 60.228 58.200 0.012 0.000 1.005 47 S CB -0.457 62.784 63.200 0.068 0.000 0.867 47 S HN 0.615 nan 8.310 nan 0.000 0.449 48 I N 1.030 121.558 120.570 -0.071 0.000 2.202 48 I HA -0.123 4.277 4.170 0.384 0.000 0.242 48 I C 2.745 178.858 176.117 -0.007 0.000 1.091 48 I CA 1.198 62.475 61.300 -0.039 0.000 1.368 48 I CB -0.543 37.439 38.000 -0.030 0.000 1.058 48 I HN 0.273 nan 8.210 nan 0.000 0.410 49 S N 0.493 116.219 115.700 0.044 0.000 2.359 49 S HA -0.244 4.456 4.470 0.384 0.000 0.224 49 S C 2.041 176.547 174.600 -0.156 0.000 1.035 49 S CA 1.755 59.941 58.200 -0.024 0.000 1.018 49 S CB -0.344 62.991 63.200 0.224 0.000 0.876 49 S HN 0.400 nan 8.310 nan 0.000 0.448 50 M N 1.172 120.732 119.600 -0.067 0.000 2.117 50 M HA -0.136 4.574 4.480 0.384 0.000 0.262 50 M C 2.073 178.169 176.300 -0.341 0.000 1.065 50 M CA 1.670 56.804 55.300 -0.277 0.000 1.114 50 M CB -0.314 32.344 32.600 0.096 0.000 1.361 50 M HN 0.357 nan 8.290 nan 0.000 0.408 51 A N 0.342 123.052 122.820 -0.184 0.000 1.898 51 A HA -0.080 4.471 4.320 0.384 0.000 0.216 51 A C 1.988 179.451 177.584 -0.201 0.000 1.181 51 A CA 1.267 53.207 52.037 -0.161 0.000 0.620 51 A CB -0.852 18.131 19.000 -0.029 0.000 0.819 51 A HN 0.581 nan 8.150 nan 0.000 0.442 52 L N -0.908 120.204 121.223 -0.185 0.000 2.109 52 L HA -0.124 4.446 4.340 0.384 0.000 0.207 52 L C 3.086 179.826 176.870 -0.216 0.000 1.086 52 L CA 0.918 55.660 54.840 -0.162 0.000 0.760 52 L CB -0.544 41.422 42.059 -0.154 0.000 0.910 52 L HN 0.436 nan 8.230 nan 0.000 0.437 53 A N -0.053 122.563 122.820 -0.340 0.000 1.933 53 A HA -0.279 4.272 4.320 0.384 0.000 0.218 53 A C 2.334 179.716 177.584 -0.337 0.000 1.175 53 A CA 1.984 53.808 52.037 -0.356 0.000 0.628 53 A CB -0.507 18.053 19.000 -0.732 0.000 0.814 53 A HN 0.449 nan 8.150 nan 0.000 0.444 54 M N -0.680 118.483 119.600 -0.728 0.000 2.086 54 M HA -0.077 4.633 4.480 0.384 0.000 0.261 54 M C 2.048 178.155 176.300 -0.322 0.000 1.067 54 M CA 1.680 56.378 55.300 -1.003 0.000 1.116 54 M CB -0.223 31.614 32.600 -1.271 0.000 1.348 54 M HN 0.395 nan 8.290 nan 0.000 0.407 55 L N 0.560 121.681 121.223 -0.170 0.000 2.051 55 L HA -0.237 4.333 4.340 0.384 0.000 0.214 55 L C 2.605 179.521 176.870 0.077 0.000 1.076 55 L CA 2.573 57.436 54.840 0.038 0.000 0.758 55 L CB -0.940 41.144 42.059 0.041 0.000 0.890 55 L HN 0.662 nan 8.230 nan 0.000 0.433 56 S N -0.527 115.171 115.700 -0.004 0.000 2.419 56 S HA -0.217 4.483 4.470 0.384 0.000 0.235 56 S C 1.965 176.597 174.600 0.054 0.000 1.019 56 S CA 1.099 59.300 58.200 0.001 0.000 0.982 56 S CB -0.711 62.485 63.200 -0.008 0.000 0.789 56 S HN 0.551 nan 8.310 nan 0.000 0.490 57 L N 0.831 122.106 121.223 0.088 0.000 2.265 57 L HA 0.035 4.605 4.340 0.384 0.000 0.215 57 L C 2.567 179.596 176.870 0.264 0.000 1.117 57 L CA 1.061 55.957 54.840 0.094 0.000 0.782 57 L CB -0.635 41.422 42.059 -0.004 0.000 0.914 57 L HN 0.589 nan 8.230 nan 0.000 0.441 58 G N -1.329 107.615 108.800 0.241 0.000 3.088 58 G HA2 0.027 4.218 3.960 0.384 0.000 0.217 58 G HA3 0.027 4.218 3.960 0.384 0.000 0.217 58 G C 0.601 175.457 174.900 -0.075 0.000 1.159 58 G CA 0.435 45.488 45.100 -0.078 0.000 0.760 58 G HN 0.335 nan 8.290 nan 0.000 0.550 59 T N -2.995 111.501 114.554 -0.096 0.000 2.943 59 T HA 0.645 5.225 4.350 0.384 0.000 0.284 59 T C -0.597 174.010 174.700 -0.154 0.000 1.015 59 T CA -0.917 61.030 62.100 -0.254 0.000 1.042 59 T CB 2.306 70.946 68.868 -0.381 0.000 1.055 59 T HN -0.032 nan 8.240 nan 0.000 0.500 60 C N 0.206 119.403 119.300 -0.171 0.000 3.236 60 C HA 0.901 5.591 4.460 0.384 0.000 0.312 60 C C 1.399 176.331 174.990 -0.096 0.000 1.374 60 C CA 0.854 59.811 59.018 -0.101 0.000 1.455 60 C CB 0.925 28.624 27.740 -0.068 0.000 1.834 60 C HN 1.579 nan 8.230 nan 0.000 0.460 61 G N 1.553 110.320 108.800 -0.055 0.000 2.596 61 G HA2 -0.312 3.879 3.960 0.384 0.000 0.295 61 G HA3 -0.312 3.879 3.960 0.384 0.000 0.295 61 G C 0.960 175.848 174.900 -0.020 0.000 1.240 61 G CA 1.000 46.087 45.100 -0.022 0.000 0.985 61 G HN 1.084 nan 8.290 nan 0.000 0.555 62 H N 1.054 120.083 119.070 -0.068 0.000 2.457 62 H HA -0.049 4.733 4.556 0.376 0.000 0.294 62 H C 2.897 178.173 175.328 -0.087 0.000 1.064 62 H CA 2.259 58.269 56.048 -0.062 0.000 1.330 62 H CB -0.319 29.415 29.762 -0.046 0.000 1.395 62 H HN 0.486 nan 8.280 nan 0.000 0.541 63 T N 0.933 115.456 114.554 -0.052 0.000 2.684 63 T HA -0.148 4.432 4.350 0.384 0.000 0.267 63 T C 2.162 176.731 174.700 -0.218 0.000 1.036 63 T CA 1.130 63.132 62.100 -0.164 0.000 1.148 63 T CB -0.040 68.655 68.868 -0.289 0.000 0.863 63 T HN 0.330 nan 8.240 nan 0.000 0.436 64 R N 0.969 121.349 120.500 -0.200 0.000 2.070 64 R HA -0.079 4.491 4.340 0.384 0.000 0.232 64 R C 2.666 178.877 176.300 -0.148 0.000 1.138 64 R CA 1.737 57.738 56.100 -0.165 0.000 0.936 64 R CB -0.731 29.496 30.300 -0.121 0.000 0.839 64 R HN 0.380 nan 8.270 nan 0.000 0.429 65 A N 0.991 123.711 122.820 -0.167 0.000 1.883 65 A HA -0.260 4.290 4.320 0.384 0.000 0.217 65 A C 2.149 179.617 177.584 -0.193 0.000 1.186 65 A CA 1.761 53.696 52.037 -0.170 0.000 0.624 65 A CB -0.750 18.131 19.000 -0.198 0.000 0.822 65 A HN 0.595 nan 8.150 nan 0.000 0.444 66 Q N -1.068 118.555 119.800 -0.296 0.000 2.124 66 Q HA -0.186 4.384 4.340 0.384 0.000 0.202 66 Q C 2.019 177.953 176.000 -0.110 0.000 0.977 66 Q CA 1.703 57.372 55.803 -0.223 0.000 0.850 66 Q CB -0.207 28.387 28.738 -0.239 0.000 0.901 66 Q HN 0.570 nan 8.270 nan 0.000 0.429 67 L N 0.468 121.621 121.223 -0.117 0.000 2.027 67 L HA -0.140 4.430 4.340 0.384 0.000 0.206 67 L C 2.051 178.897 176.870 -0.039 0.000 1.074 67 L CA 1.591 56.380 54.840 -0.085 0.000 0.745 67 L CB -0.515 41.472 42.059 -0.119 0.000 0.898 67 L HN 0.263 nan 8.230 nan 0.000 0.433 68 L N -0.993 120.216 121.223 -0.023 0.000 2.093 68 L HA -0.213 4.357 4.340 0.384 0.000 0.208 68 L C 2.630 179.589 176.870 0.148 0.000 1.085 68 L CA 1.290 56.178 54.840 0.080 0.000 0.755 68 L CB -0.561 41.499 42.059 0.001 0.000 0.904 68 L HN 0.389 nan 8.230 nan 0.000 0.435 69 Q N -0.296 119.531 119.800 0.045 0.000 2.079 69 Q HA -0.127 4.443 4.340 0.384 0.000 0.200 69 Q C 2.338 178.353 176.000 0.025 0.000 0.974 69 Q CA 1.362 57.186 55.803 0.035 0.000 0.840 69 Q CB -0.392 28.344 28.738 -0.004 0.000 0.898 69 Q HN 0.595 nan 8.270 nan 0.000 0.430 70 G N 0.686 109.497 108.800 0.018 0.000 2.448 70 G HA2 -0.207 3.984 3.960 0.384 0.000 0.219 70 G HA3 -0.207 3.984 3.960 0.384 0.000 0.219 70 G C 1.268 176.200 174.900 0.054 0.000 1.127 70 G CA 0.445 45.575 45.100 0.050 0.000 0.766 70 G HN 0.204 nan 8.290 nan 0.000 0.552 71 L N -0.179 120.997 121.223 -0.078 0.000 2.554 71 L HA 0.259 4.830 4.340 0.384 0.000 0.226 71 L C 2.012 178.648 176.870 -0.390 0.000 1.137 71 L CA 0.619 55.248 54.840 -0.352 0.000 0.863 71 L CB 0.228 42.188 42.059 -0.165 0.000 0.985 71 L HN 0.397 nan 8.230 nan 0.000 0.451 72 G N -1.102 107.545 108.800 -0.255 0.000 2.168 72 G HA2 -0.227 3.963 3.960 0.384 0.000 0.197 72 G HA3 -0.227 3.963 3.960 0.384 0.000 0.197 72 G C -0.016 174.651 174.900 -0.389 0.000 0.997 72 G CA -0.705 44.216 45.100 -0.298 0.000 0.658 72 G HN 0.085 nan 8.290 nan 0.000 0.513 73 F N 0.936 120.877 119.950 -0.015 0.000 2.379 73 F HA 0.636 5.387 4.527 0.375 0.000 0.332 73 F C 0.532 176.316 175.800 -0.028 0.000 1.096 73 F CA -1.418 56.565 58.000 -0.028 0.000 1.105 73 F CB 1.214 40.185 39.000 -0.048 0.000 1.189 73 F HN -0.013 nan 8.300 nan 0.000 0.515 74 N N 2.951 121.749 118.700 0.165 0.000 2.501 74 N HA 0.254 5.225 4.740 0.384 0.000 0.245 74 N C 0.173 175.721 175.510 0.063 0.000 0.974 74 N CA -0.178 52.920 53.050 0.081 0.000 0.941 74 N CB 0.881 39.396 38.487 0.048 0.000 1.122 74 N HN 0.650 nan 8.380 nan 0.000 0.507 75 L N 1.916 123.162 121.223 0.039 0.000 2.610 75 L HA -0.008 4.562 4.340 0.384 0.000 0.232 75 L C 2.033 178.906 176.870 0.005 0.000 1.149 75 L CA 0.743 55.590 54.840 0.011 0.000 0.872 75 L CB -0.295 41.761 42.059 -0.005 0.000 0.992 75 L HN 0.584 nan 8.230 nan 0.000 0.447 76 T N -3.833 110.727 114.554 0.011 0.000 2.894 76 T HA -0.075 4.505 4.350 0.384 0.000 0.258 76 T C 1.622 176.326 174.700 0.008 0.000 1.043 76 T CA 0.671 62.775 62.100 0.008 0.000 1.141 76 T CB -0.070 68.803 68.868 0.008 0.000 0.873 76 T HN 0.301 nan 8.240 nan 0.000 0.449 77 E N 1.611 121.820 120.200 0.014 0.000 2.046 77 E HA 0.016 4.596 4.350 0.384 0.000 0.190 77 E C 0.884 177.490 176.600 0.010 0.000 0.982 77 E CA 0.651 57.059 56.400 0.014 0.000 0.800 77 E CB 0.127 29.840 29.700 0.021 0.000 0.756 77 E HN 0.645 nan 8.360 nan 0.000 0.449 78 R N 0.371 120.876 120.500 0.009 0.000 2.686 78 R HA 0.433 5.003 4.340 0.384 0.000 0.286 78 R C -0.382 175.898 176.300 -0.033 0.000 0.969 78 R CA -0.691 55.405 56.100 -0.008 0.000 0.898 78 R CB 1.533 31.831 30.300 -0.004 0.000 1.183 78 R HN -0.096 nan 8.270 nan 0.000 0.456 79 S N 0.418 116.094 115.700 -0.040 0.000 2.617 79 S HA 0.017 4.717 4.470 0.384 0.000 0.259 79 S C 0.757 175.297 174.600 -0.099 0.000 1.301 79 S CA -0.456 57.714 58.200 -0.050 0.000 0.984 79 S CB 1.185 64.369 63.200 -0.027 0.000 0.954 79 S HN 0.865 nan 8.310 nan 0.000 0.572 80 E N 0.330 120.479 120.200 -0.084 0.000 2.077 80 E HA -0.154 4.426 4.350 0.384 0.000 0.193 80 E C 2.113 178.645 176.600 -0.113 0.000 0.989 80 E CA 1.851 58.181 56.400 -0.118 0.000 0.800 80 E CB -0.564 29.132 29.700 -0.006 0.000 0.746 80 E HN 0.957 nan 8.360 nan 0.000 0.452 81 T N -1.643 112.891 114.554 -0.033 0.000 2.867 81 T HA -0.104 4.477 4.350 0.384 0.000 0.268 81 T C 1.666 176.305 174.700 -0.103 0.000 1.057 81 T CA 1.120 63.196 62.100 -0.040 0.000 1.136 81 T CB -0.227 68.663 68.868 0.036 0.000 0.874 81 T HN 0.149 nan 8.240 nan 0.000 0.466 82 E N 0.726 120.868 120.200 -0.097 0.000 2.153 82 E HA -0.012 4.569 4.350 0.384 0.000 0.194 82 E C 2.054 178.535 176.600 -0.197 0.000 0.988 82 E CA 0.988 57.328 56.400 -0.100 0.000 0.811 82 E CB -0.340 29.323 29.700 -0.061 0.000 0.746 82 E HN 0.586 nan 8.360 nan 0.000 0.466 83 I N 0.712 121.077 120.570 -0.341 0.000 2.179 83 I HA -0.279 4.121 4.170 0.384 0.000 0.242 83 I C 2.200 178.069 176.117 -0.414 0.000 1.088 83 I CA 1.062 62.042 61.300 -0.534 0.000 1.357 83 I CB -0.309 37.159 38.000 -0.887 0.000 1.051 83 I HN 0.219 nan 8.210 nan 0.000 0.409 84 H N 0.399 119.293 119.070 -0.294 0.000 2.428 84 H HA -0.077 4.705 4.556 0.376 0.000 0.296 84 H C 2.173 177.281 175.328 -0.367 0.000 1.062 84 H CA 0.998 56.788 56.048 -0.429 0.000 1.350 84 H CB -0.191 28.963 29.762 -1.012 0.000 1.403 84 H HN 0.485 nan 8.280 nan 0.000 0.533 85 Q N 0.137 119.833 119.800 -0.174 0.000 2.084 85 Q HA -0.088 4.482 4.340 0.384 0.000 0.202 85 Q C 2.631 178.366 176.000 -0.442 0.000 0.978 85 Q CA 1.130 56.811 55.803 -0.204 0.000 0.844 85 Q CB -0.212 28.453 28.738 -0.121 0.000 0.898 85 Q HN 0.473 nan 8.270 nan 0.000 0.426 86 G N 0.297 108.941 108.800 -0.260 0.000 2.491 86 G HA2 -0.271 3.919 3.960 0.384 0.000 0.218 86 G HA3 -0.271 3.919 3.960 0.384 0.000 0.218 86 G C 1.009 175.746 174.900 -0.272 0.000 1.180 86 G CA 0.917 45.880 45.100 -0.228 0.000 0.774 86 G HN 0.248 nan 8.290 nan 0.000 0.562 87 F N 0.686 120.532 119.950 -0.173 0.000 2.234 87 F HA 0.013 4.778 4.527 0.396 0.000 0.299 87 F C 2.871 178.536 175.800 -0.225 0.000 1.087 87 F CA 1.436 59.345 58.000 -0.152 0.000 1.340 87 F CB -0.388 38.530 39.000 -0.137 0.000 1.031 87 F HN 0.192 nan 8.300 nan 0.000 0.500 88 Q N -0.260 119.449 119.800 -0.152 0.000 2.061 88 Q HA -0.248 4.322 4.340 0.384 0.000 0.204 88 Q C 1.969 177.934 176.000 -0.057 0.000 0.984 88 Q CA 2.176 57.887 55.803 -0.154 0.000 0.846 88 Q CB -0.273 28.358 28.738 -0.178 0.000 0.902 88 Q HN 0.559 nan 8.270 nan 0.000 0.421 89 H N -0.823 118.217 119.070 -0.050 0.000 2.389 89 H HA -0.117 4.671 4.556 0.386 0.000 0.299 89 H C 2.013 177.228 175.328 -0.188 0.000 1.081 89 H CA 0.855 56.848 56.048 -0.092 0.000 1.345 89 H CB 0.238 29.961 29.762 -0.065 0.000 1.393 89 H HN 0.175 nan 8.280 nan 0.000 0.520 90 L N 0.015 121.175 121.223 -0.105 0.000 2.046 90 L HA -0.217 4.353 4.340 0.384 0.000 0.208 90 L C 2.465 179.076 176.870 -0.432 0.000 1.077 90 L CA 1.727 56.329 54.840 -0.396 0.000 0.747 90 L CB -0.800 41.156 42.059 -0.172 0.000 0.896 90 L HN 0.471 nan 8.230 nan 0.000 0.432 91 H N -0.822 118.162 119.070 -0.142 0.000 2.357 91 H HA -0.152 4.637 4.556 0.387 0.000 0.301 91 H C 2.104 177.398 175.328 -0.056 0.000 1.082 91 H CA 1.646 57.682 56.048 -0.020 0.000 1.342 91 H CB 0.403 30.180 29.762 0.026 0.000 1.389 91 H HN 0.448 nan 8.280 nan 0.000 0.511 92 Q N 0.167 119.904 119.800 -0.106 0.000 2.135 92 Q HA -0.129 4.441 4.340 0.384 0.000 0.204 92 Q C 2.633 178.519 176.000 -0.190 0.000 0.981 92 Q CA 1.479 57.199 55.803 -0.139 0.000 0.856 92 Q CB 0.128 28.830 28.738 -0.060 0.000 0.902 92 Q HN 0.460 nan 8.270 nan 0.000 0.425 93 L N -0.964 120.090 121.223 -0.282 0.000 2.131 93 L HA 0.009 4.579 4.340 0.384 0.000 0.206 93 L C 0.961 177.775 176.870 -0.093 0.000 1.087 93 L CA 0.369 55.025 54.840 -0.307 0.000 0.767 93 L CB -0.128 41.633 42.059 -0.497 0.000 0.917 93 L HN 0.078 nan 8.230 nan 0.000 0.441 101 L N 2.355 123.519 121.223 -0.099 0.000 2.431 101 L HA 0.657 5.227 4.340 0.384 0.000 0.266 101 L C -1.797 175.006 176.870 -0.112 0.000 0.978 101 L CA 0.057 54.801 54.840 -0.160 0.000 0.822 101 L CB 1.918 43.915 42.059 -0.103 0.000 1.310 101 L HN 0.037 nan 8.230 nan 0.000 0.409 102 E N 4.868 124.967 120.200 -0.168 0.000 2.224 102 E HA 0.589 5.169 4.350 0.384 0.000 0.265 102 E C -1.443 175.123 176.600 -0.057 0.000 0.878 102 E CA -0.651 55.733 56.400 -0.026 0.000 0.759 102 E CB 2.465 32.249 29.700 0.140 0.000 1.164 102 E HN 0.512 nan 8.360 nan 0.000 0.414 103 M N 2.645 122.293 119.600 0.080 0.000 2.183 103 M HA 0.321 5.031 4.480 0.384 0.000 0.277 103 M C -1.613 174.806 176.300 0.198 0.000 0.995 103 M CA -0.067 55.330 55.300 0.161 0.000 0.969 103 M CB 2.156 34.873 32.600 0.193 0.000 1.659 103 M HN 0.392 nan 8.290 nan 0.000 0.462 104 T N 4.906 119.623 114.554 0.272 0.000 2.893 104 T HA 0.846 5.426 4.350 0.384 0.000 0.291 104 T C -1.482 173.358 174.700 0.234 0.000 1.028 104 T CA -0.570 61.690 62.100 0.267 0.000 0.995 104 T CB 1.228 70.304 68.868 0.347 0.000 1.051 104 T HN 0.877 nan 8.240 nan 0.000 0.470 105 M N 2.850 122.515 119.600 0.108 0.000 2.433 105 M HA 0.704 5.415 4.480 0.384 0.000 0.290 105 M C -0.874 175.346 176.300 -0.133 0.000 1.173 105 M CA -0.206 55.071 55.300 -0.039 0.000 0.905 105 M CB 2.090 34.823 32.600 0.222 0.000 1.692 105 M HN 0.857 nan 8.290 nan 0.000 0.462 106 G N 2.094 110.487 108.800 -0.678 0.000 2.646 106 G HA2 0.548 4.738 3.960 0.384 0.000 0.291 106 G HA3 0.548 4.738 3.960 0.384 0.000 0.291 106 G C -2.285 172.521 174.900 -0.156 0.000 1.445 106 G CA -0.716 44.205 45.100 -0.300 0.000 0.814 106 G HN 0.662 nan 8.290 nan 0.000 0.495 107 N N -0.582 118.163 118.700 0.074 0.000 2.229 107 N HA 0.751 5.722 4.740 0.384 0.000 0.298 107 N C -0.840 174.740 175.510 0.117 0.000 1.114 107 N CA -0.321 52.783 53.050 0.091 0.000 0.776 107 N CB 2.506 40.980 38.487 -0.021 0.000 1.501 107 N HN 0.947 nan 8.380 nan 0.000 0.474 108 A N 0.942 123.795 122.820 0.056 0.000 2.515 108 A HA 0.695 5.245 4.320 0.384 0.000 0.298 108 A C -1.680 175.773 177.584 -0.218 0.000 1.059 108 A CA -0.537 51.382 52.037 -0.198 0.000 0.698 108 A CB 1.473 20.144 19.000 -0.548 0.000 1.289 108 A HN 0.495 nan 8.150 nan 0.000 0.404 109 L N 1.804 122.822 121.223 -0.341 0.000 2.372 109 L HA 0.719 5.289 4.340 0.384 0.000 0.273 109 L C -1.819 174.898 176.870 -0.254 0.000 0.989 109 L CA -0.212 54.533 54.840 -0.158 0.000 0.841 109 L CB 0.540 42.579 42.059 -0.034 0.000 1.225 109 L HN 0.533 nan 8.230 nan 0.000 0.414 110 F N 5.907 125.845 119.950 -0.020 0.000 2.391 110 F HA 0.533 5.285 4.527 0.377 0.000 0.359 110 F C -0.187 175.725 175.800 0.187 0.000 1.122 110 F CA -0.390 57.612 58.000 0.005 0.000 1.120 110 F CB 1.354 40.331 39.000 -0.039 0.000 1.142 110 F HN 0.296 nan 8.300 nan 0.000 0.483 111 L N 3.670 125.056 121.223 0.271 0.000 2.362 111 L HA 0.445 5.015 4.340 0.384 0.000 0.275 111 L C -0.569 176.475 176.870 0.290 0.000 0.998 111 L CA -0.536 54.466 54.840 0.271 0.000 0.820 111 L CB 1.438 43.572 42.059 0.124 0.000 1.270 111 L HN 0.502 nan 8.230 nan 0.000 0.415 112 D N 2.604 123.261 120.400 0.428 0.000 2.443 112 D HA 0.219 5.089 4.640 0.384 0.000 0.239 112 D C 1.355 177.745 176.300 0.150 0.000 1.136 112 D CA 1.197 55.404 54.000 0.345 0.000 0.879 112 D CB 1.550 42.589 40.800 0.398 0.000 1.195 112 D HN 0.752 nan 8.370 nan 0.000 0.443 113 G N 1.415 110.267 108.800 0.086 0.000 2.501 113 G HA2 -0.248 3.943 3.960 0.384 0.000 0.220 113 G HA3 -0.248 3.943 3.960 0.384 0.000 0.220 113 G C 1.351 176.283 174.900 0.053 0.000 1.114 113 G CA 0.982 46.111 45.100 0.048 0.000 0.757 113 G HN 0.528 nan 8.290 nan 0.000 0.559 114 S N -1.126 114.617 115.700 0.072 0.000 2.528 114 S HA 0.295 4.995 4.470 0.384 0.000 0.219 114 S C 0.763 175.393 174.600 0.050 0.000 0.985 114 S CA -0.237 57.998 58.200 0.057 0.000 0.914 114 S CB 0.161 63.398 63.200 0.061 0.000 0.776 114 S HN 0.087 nan 8.310 nan 0.000 0.526 115 L N 2.000 123.259 121.223 0.061 0.000 2.307 115 L HA 0.613 5.183 4.340 0.384 0.000 0.284 115 L C -0.864 176.033 176.870 0.045 0.000 1.023 115 L CA -0.085 54.784 54.840 0.048 0.000 0.810 115 L CB 1.838 43.931 42.059 0.056 0.000 1.231 115 L HN 0.233 nan 8.230 nan 0.000 0.423 116 E N 3.677 123.898 120.200 0.034 0.000 2.183 116 E HA 0.457 5.037 4.350 0.384 0.000 0.271 116 E C -0.874 175.752 176.600 0.042 0.000 0.919 116 E CA -0.581 55.842 56.400 0.038 0.000 0.781 116 E CB 2.362 32.080 29.700 0.030 0.000 1.140 116 E HN 0.496 nan 8.360 nan 0.000 0.402 117 L N 3.803 125.068 121.223 0.071 0.000 2.371 117 L HA 0.255 4.825 4.340 0.384 0.000 0.272 117 L C 0.042 176.975 176.870 0.105 0.000 1.124 117 L CA -0.504 54.406 54.840 0.117 0.000 0.816 117 L CB 0.354 42.542 42.059 0.214 0.000 1.129 117 L HN 0.415 nan 8.230 nan 0.000 0.448 118 L N 3.093 124.379 121.223 0.106 0.000 2.453 118 L HA -0.006 4.565 4.340 0.384 0.000 0.272 118 L C 1.660 178.609 176.870 0.132 0.000 1.182 118 L CA -0.064 54.834 54.840 0.096 0.000 0.858 118 L CB 0.586 42.689 42.059 0.073 0.000 1.120 118 L HN 0.721 nan 8.230 nan 0.000 0.474 119 E N 1.197 121.445 120.200 0.080 0.000 2.160 119 E HA -0.228 4.353 4.350 0.384 0.000 0.195 119 E C 1.800 178.434 176.600 0.056 0.000 0.991 119 E CA 1.502 57.938 56.400 0.059 0.000 0.810 119 E CB -0.121 29.598 29.700 0.032 0.000 0.742 119 E HN 0.821 nan 8.360 nan 0.000 0.466 120 S N 0.854 116.597 115.700 0.071 0.000 2.387 120 S HA -0.151 4.549 4.470 0.384 0.000 0.226 120 S C 1.904 176.560 174.600 0.095 0.000 1.026 120 S CA 0.558 58.795 58.200 0.061 0.000 0.972 120 S CB -0.620 62.614 63.200 0.056 0.000 0.814 120 S HN 0.359 nan 8.310 nan 0.000 0.477 121 F N 2.759 122.709 119.950 -0.001 0.000 2.102 121 F HA -0.018 4.743 4.527 0.389 0.000 0.298 121 F C 2.742 178.546 175.800 0.006 0.000 1.105 121 F CA 1.466 59.466 58.000 -0.000 0.000 1.239 121 F CB -0.945 38.055 39.000 0.000 0.000 0.991 121 F HN 0.305 nan 8.300 nan 0.000 0.474 122 S N 0.182 115.872 115.700 -0.017 0.000 2.359 122 S HA -0.216 4.485 4.470 0.384 0.000 0.224 122 S C 2.318 176.837 174.600 -0.134 0.000 1.035 122 S CA 1.439 59.570 58.200 -0.115 0.000 1.018 122 S CB -0.946 62.263 63.200 0.015 0.000 0.876 122 S HN 0.563 nan 8.310 nan 0.000 0.448 123 A N 1.365 124.143 122.820 -0.070 0.000 1.877 123 A HA -0.124 4.427 4.320 0.384 0.000 0.216 123 A C 1.945 179.485 177.584 -0.072 0.000 1.186 123 A CA 2.001 54.000 52.037 -0.062 0.000 0.620 123 A CB -1.019 17.952 19.000 -0.048 0.000 0.822 123 A HN 0.575 nan 8.150 nan 0.000 0.443 124 D N 0.167 120.524 120.400 -0.072 0.000 2.097 124 D HA -0.150 4.720 4.640 0.384 0.000 0.195 124 D C 1.980 178.318 176.300 0.064 0.000 0.989 124 D CA 1.749 55.766 54.000 0.028 0.000 0.827 124 D CB -0.517 40.314 40.800 0.051 0.000 0.966 124 D HN 0.703 nan 8.370 nan 0.000 0.456 125 I N -1.083 119.382 120.570 -0.175 0.000 2.361 125 I HA -0.174 4.226 4.170 0.384 0.000 0.251 125 I C 1.872 177.973 176.117 -0.026 0.000 1.133 125 I CA 1.258 62.474 61.300 -0.140 0.000 1.413 125 I CB -0.223 37.478 38.000 -0.497 0.000 1.073 125 I HN -0.189 nan 8.210 nan 0.000 0.424 126 K N 0.049 120.404 120.400 -0.075 0.000 2.103 126 K HA -0.157 4.393 4.320 0.384 0.000 0.204 126 K C 2.307 178.885 176.600 -0.038 0.000 1.052 126 K CA 1.238 57.496 56.287 -0.048 0.000 0.945 126 K CB -0.414 32.054 32.500 -0.055 0.000 0.722 126 K HN 0.525 nan 8.250 nan 0.000 0.443 127 H N -0.192 118.782 119.070 -0.159 0.000 2.307 127 H HA -0.081 4.705 4.556 0.382 0.000 0.303 127 H C 1.567 176.709 175.328 -0.310 0.000 1.073 127 H CA 1.685 57.565 56.048 -0.281 0.000 1.338 127 H CB 0.009 29.493 29.762 -0.464 0.000 1.389 127 H HN 0.215 nan 8.280 nan 0.000 0.503 128 Y N -1.004 119.281 120.300 -0.026 0.000 2.286 128 Y HA -0.115 4.667 4.550 0.386 0.000 0.293 128 Y C 1.438 177.029 175.900 -0.514 0.000 1.124 128 Y CA 0.899 58.843 58.100 -0.261 0.000 1.178 128 Y CB 0.153 38.470 38.460 -0.239 0.000 1.010 128 Y HN 0.185 nan 8.280 nan 0.000 0.536 129 Y N -0.882 119.408 120.300 -0.016 0.000 2.500 129 Y HA 0.169 4.959 4.550 0.399 0.000 0.246 129 Y C 0.592 176.327 175.900 -0.275 0.000 1.146 129 Y CA -0.537 57.456 58.100 -0.179 0.000 1.230 129 Y CB 0.303 38.666 38.460 -0.161 0.000 1.214 129 Y HN -0.021 nan 8.280 nan 0.000 0.526 130 E N 1.325 121.494 120.200 -0.051 0.000 2.328 130 E HA -0.237 4.343 4.350 0.384 0.000 0.233 130 E C -0.187 176.414 176.600 0.000 0.000 1.219 130 E CA 0.402 56.793 56.400 -0.015 0.000 0.717 130 E CB -0.766 28.985 29.700 0.084 0.000 1.210 130 E HN 0.246 nan 8.360 nan 0.000 0.381 131 S N 0.233 115.923 115.700 -0.017 0.000 2.531 131 S HA 0.092 4.793 4.470 0.384 0.000 0.279 131 S C 0.031 174.604 174.600 -0.044 0.000 1.305 131 S CA -0.318 57.862 58.200 -0.034 0.000 1.058 131 S CB 0.758 63.909 63.200 -0.081 0.000 0.899 131 S HN 0.260 nan 8.310 nan 0.000 0.493 132 E N 2.323 122.499 120.200 -0.040 0.000 2.373 132 E HA 0.269 4.849 4.350 0.384 0.000 0.267 132 E C -0.917 175.570 176.600 -0.189 0.000 1.032 132 E CA -0.343 56.002 56.400 -0.092 0.000 0.889 132 E CB 0.959 30.613 29.700 -0.075 0.000 0.984 132 E HN 0.357 nan 8.360 nan 0.000 0.425 133 V N 4.962 124.774 119.914 -0.170 0.000 2.376 133 V HA 0.265 4.615 4.120 0.384 0.000 0.287 133 V C -0.499 175.478 176.094 -0.195 0.000 1.015 133 V CA -0.555 61.640 62.300 -0.176 0.000 0.834 133 V CB 0.597 32.365 31.823 -0.092 0.000 1.001 133 V HN 0.467 nan 8.190 nan 0.000 0.428 134 L N 4.366 125.410 121.223 -0.297 0.000 2.325 134 L HA 0.777 5.347 4.340 0.384 0.000 0.281 134 L C 0.487 177.280 176.870 -0.128 0.000 1.004 134 L CA -0.666 54.021 54.840 -0.255 0.000 0.823 134 L CB 1.852 43.647 42.059 -0.440 0.000 1.236 134 L HN 0.654 nan 8.230 nan 0.000 0.415 135 A N 5.719 128.493 122.820 -0.078 0.000 2.347 135 A HA 0.679 5.230 4.320 0.384 0.000 0.287 135 A C -0.017 177.520 177.584 -0.079 0.000 1.199 135 A CA -0.215 51.794 52.037 -0.046 0.000 0.851 135 A CB 0.264 19.245 19.000 -0.031 0.000 1.118 135 A HN 0.647 nan 8.150 nan 0.000 0.525 136 M N 1.647 121.176 119.600 -0.119 0.000 2.762 136 M HA 0.352 5.062 4.480 0.384 0.000 0.306 136 M C -0.499 175.642 176.300 -0.264 0.000 1.223 136 M CA -0.727 54.388 55.300 -0.308 0.000 0.896 136 M CB 1.802 33.969 32.600 -0.722 0.000 1.684 136 M HN 0.729 nan 8.290 nan 0.000 0.491 137 N N 0.692 119.204 118.700 -0.313 0.000 2.696 137 N HA 0.327 5.298 4.740 0.384 0.000 0.246 137 N C -0.553 174.878 175.510 -0.132 0.000 1.057 137 N CA -0.167 52.799 53.050 -0.139 0.000 0.867 137 N CB 0.144 38.594 38.487 -0.062 0.000 1.141 137 N HN 0.424 nan 8.380 nan 0.000 0.517 138 F N 0.802 120.813 119.950 0.100 0.000 2.699 138 F HA 0.044 4.808 4.527 0.396 0.000 0.298 138 F C 2.137 178.120 175.800 0.304 0.000 1.154 138 F CA 0.433 58.562 58.000 0.215 0.000 1.457 138 F CB 0.309 39.472 39.000 0.271 0.000 1.106 138 F HN 0.507 nan 8.300 nan 0.000 0.585 139 Q N -0.283 119.699 119.800 0.302 0.000 2.079 139 Q HA -0.181 4.389 4.340 0.384 0.000 0.200 139 Q C 0.626 176.752 176.000 0.210 0.000 0.974 139 Q CA 0.995 56.928 55.803 0.216 0.000 0.840 139 Q CB -0.102 28.713 28.738 0.128 0.000 0.898 139 Q HN 0.128 nan 8.270 nan 0.000 0.430 140 D N -0.220 120.276 120.400 0.159 0.000 2.517 140 D HA -0.066 4.804 4.640 0.384 0.000 0.220 140 D C 0.101 176.504 176.300 0.172 0.000 1.158 140 D CA -0.137 53.939 54.000 0.127 0.000 0.992 140 D CB -0.260 40.565 40.800 0.041 0.000 1.058 140 D HN 0.311 nan 8.370 nan 0.000 0.516 141 W N 3.384 124.712 121.300 0.048 0.000 2.402 141 W HA -0.157 4.728 4.660 0.375 0.000 0.286 141 W C 1.346 177.900 176.519 0.059 0.000 1.221 141 W CA 1.073 58.469 57.345 0.085 0.000 1.257 141 W CB 0.243 29.760 29.460 0.094 0.000 1.120 141 W HN 0.463 nan 8.180 nan 0.000 0.551 142 A N 0.700 123.600 122.820 0.133 0.000 1.855 142 A HA -0.245 4.305 4.320 0.384 0.000 0.215 142 A C 1.979 179.521 177.584 -0.069 0.000 1.191 142 A CA 2.982 55.036 52.037 0.030 0.000 0.613 142 A CB -1.423 17.615 19.000 0.064 0.000 0.829 142 A HN 0.351 nan 8.150 nan 0.000 0.442 143 T N -2.003 112.512 114.554 -0.065 0.000 2.777 143 T HA 0.072 4.652 4.350 0.384 0.000 0.266 143 T C 2.008 176.594 174.700 -0.189 0.000 1.040 143 T CA 1.774 63.813 62.100 -0.101 0.000 1.141 143 T CB -0.762 68.061 68.868 -0.075 0.000 0.868 143 T HN 0.608 nan 8.240 nan 0.000 0.444 144 A N 2.604 125.273 122.820 -0.252 0.000 1.873 144 A HA -0.140 4.410 4.320 0.384 0.000 0.218 144 A C 2.800 180.079 177.584 -0.509 0.000 1.193 144 A CA 3.105 54.883 52.037 -0.431 0.000 0.629 144 A CB -1.385 17.315 19.000 -0.500 0.000 0.826 144 A HN 0.824 nan 8.150 nan 0.000 0.447 145 S N -0.654 114.747 115.700 -0.498 0.000 2.402 145 S HA -0.117 4.583 4.470 0.384 0.000 0.229 145 S C 1.984 176.432 174.600 -0.254 0.000 1.021 145 S CA 1.044 59.013 58.200 -0.385 0.000 0.974 145 S CB -0.421 62.602 63.200 -0.294 0.000 0.800 145 S HN 0.578 nan 8.310 nan 0.000 0.484 146 R N 0.910 121.290 120.500 -0.201 0.000 2.096 146 R HA -0.060 4.510 4.340 0.384 0.000 0.235 146 R C 2.713 178.927 176.300 -0.144 0.000 1.127 146 R CA 1.586 57.607 56.100 -0.132 0.000 0.968 146 R CB -0.341 29.905 30.300 -0.090 0.000 0.861 146 R HN 0.609 nan 8.270 nan 0.000 0.440 147 Q N 0.684 120.368 119.800 -0.193 0.000 2.079 147 Q HA -0.109 4.462 4.340 0.384 0.000 0.200 147 Q C 1.974 177.846 176.000 -0.213 0.000 0.974 147 Q CA 1.299 57.008 55.803 -0.157 0.000 0.840 147 Q CB 0.065 28.710 28.738 -0.155 0.000 0.898 147 Q HN 0.330 nan 8.270 nan 0.000 0.430 148 I N 0.766 121.035 120.570 -0.502 0.000 2.202 148 I HA -0.273 4.128 4.170 0.384 0.000 0.242 148 I C 1.940 177.888 176.117 -0.281 0.000 1.091 148 I CA 0.833 61.684 61.300 -0.748 0.000 1.368 148 I CB -0.430 36.814 38.000 -1.260 0.000 1.058 148 I HN 0.286 nan 8.210 nan 0.000 0.410 149 N N 0.774 119.358 118.700 -0.193 0.000 2.120 149 N HA -0.155 4.815 4.740 0.384 0.000 0.188 149 N C 2.089 177.591 175.510 -0.014 0.000 1.024 149 N CA 1.913 54.931 53.050 -0.055 0.000 0.852 149 N CB -0.309 38.160 38.487 -0.030 0.000 1.003 149 N HN 0.397 nan 8.380 nan 0.000 0.424 150 S N -0.046 115.640 115.700 -0.023 0.000 2.402 150 S HA -0.151 4.549 4.470 0.384 0.000 0.229 150 S C 2.076 176.685 174.600 0.014 0.000 1.021 150 S CA 0.430 58.624 58.200 -0.011 0.000 0.974 150 S CB -0.776 62.413 63.200 -0.020 0.000 0.800 150 S HN 0.452 nan 8.310 nan 0.000 0.484 151 Y N 2.468 122.736 120.300 -0.054 0.000 2.097 151 Y HA -0.153 4.629 4.550 0.386 0.000 0.282 151 Y C 2.323 178.191 175.900 -0.053 0.000 1.152 151 Y CA 2.010 60.104 58.100 -0.011 0.000 1.136 151 Y CB -0.553 37.988 38.460 0.135 0.000 0.975 151 Y HN 0.153 nan 8.280 nan 0.000 0.498 152 V N 1.216 121.244 119.914 0.189 0.000 2.295 152 V HA -0.310 4.040 4.120 0.384 0.000 0.246 152 V C 2.444 178.505 176.094 -0.056 0.000 1.049 152 V CA 2.300 64.657 62.300 0.096 0.000 1.024 152 V CB -0.802 31.138 31.823 0.196 0.000 0.648 152 V HN 0.376 nan 8.190 nan 0.000 0.447 153 K N 0.293 120.671 120.400 -0.037 0.000 2.044 153 K HA -0.265 4.285 4.320 0.384 0.000 0.210 153 K C 2.076 178.591 176.600 -0.142 0.000 1.049 153 K CA 2.083 58.332 56.287 -0.062 0.000 0.927 153 K CB -0.249 32.226 32.500 -0.042 0.000 0.713 153 K HN 0.435 nan 8.250 nan 0.000 0.443 154 N N 1.031 119.618 118.700 -0.188 0.000 2.043 154 N HA -0.142 4.829 4.740 0.384 0.000 0.193 154 N C 1.586 176.884 175.510 -0.354 0.000 1.037 154 N CA 1.184 54.086 53.050 -0.248 0.000 0.851 154 N CB -0.207 38.139 38.487 -0.236 0.000 1.027 154 N HN 0.166 nan 8.380 nan 0.000 0.422 155 K N 0.294 120.379 120.400 -0.525 0.000 2.209 155 K HA -0.013 4.538 4.320 0.384 0.000 0.204 155 K C 1.500 177.821 176.600 -0.465 0.000 1.048 155 K CA 1.094 56.940 56.287 -0.734 0.000 0.940 155 K CB -0.685 30.873 32.500 -1.571 0.000 0.729 155 K HN 0.473 nan 8.250 nan 0.000 0.451 156 T N -1.369 113.018 114.554 -0.278 0.000 3.163 156 T HA 0.081 4.661 4.350 0.384 0.000 0.252 156 T C 0.272 174.784 174.700 -0.313 0.000 1.056 156 T CA -0.314 61.730 62.100 -0.095 0.000 0.947 156 T CB 0.157 69.092 68.868 0.111 0.000 1.016 156 T HN -0.006 nan 8.240 nan 0.000 0.554 157 Q N 0.342 119.891 119.800 -0.419 0.000 2.451 157 Q HA -0.222 4.349 4.340 0.384 0.000 0.305 157 Q C 1.244 177.111 176.000 -0.221 0.000 1.345 157 Q CA 1.097 56.652 55.803 -0.413 0.000 0.854 157 Q CB -2.030 26.275 28.738 -0.722 0.000 1.162 157 Q HN 1.228 nan 8.270 nan 0.000 0.440 158 G N -0.916 107.799 108.800 -0.141 0.000 2.179 158 G HA2 -0.363 3.827 3.960 0.384 0.000 0.260 158 G HA3 -0.363 3.827 3.960 0.384 0.000 0.260 158 G C 0.966 175.856 174.900 -0.018 0.000 0.977 158 G CA 0.634 45.692 45.100 -0.070 0.000 0.641 158 G HN 0.363 nan 8.290 nan 0.000 0.533 159 K N -0.411 119.996 120.400 0.012 0.000 2.116 159 K HA 0.161 4.712 4.320 0.384 0.000 0.203 159 K C 0.961 177.612 176.600 0.085 0.000 1.052 159 K CA 0.721 57.055 56.287 0.078 0.000 0.952 159 K CB 0.224 32.831 32.500 0.179 0.000 0.729 159 K HN 0.414 nan 8.250 nan 0.000 0.446 160 I N 2.669 123.292 120.570 0.089 0.000 2.330 160 I HA 0.171 4.571 4.170 0.384 0.000 0.286 160 I C -0.236 175.920 176.117 0.066 0.000 1.025 160 I CA -0.766 60.593 61.300 0.098 0.000 1.197 160 I CB 0.951 39.041 38.000 0.150 0.000 1.358 160 I HN -0.317 nan 8.210 nan 0.000 0.467 161 V N 5.177 125.123 119.914 0.053 0.000 2.581 161 V HA 0.407 4.757 4.120 0.384 0.000 0.303 161 V C -0.020 176.104 176.094 0.051 0.000 1.041 161 V CA -0.721 61.602 62.300 0.037 0.000 0.907 161 V CB 1.659 33.493 31.823 0.019 0.000 0.994 161 V HN 0.739 nan 8.190 nan 0.000 0.442 162 D N 1.762 122.191 120.400 0.048 0.000 2.746 162 D HA -0.178 4.692 4.640 0.384 0.000 0.241 162 D C 0.658 177.017 176.300 0.097 0.000 1.140 162 D CA 0.679 54.713 54.000 0.057 0.000 0.707 162 D CB -0.363 40.460 40.800 0.038 0.000 1.034 162 D HN 0.536 nan 8.370 nan 0.000 0.423 163 L N -0.369 120.937 121.223 0.138 0.000 2.056 163 L HA 0.074 4.644 4.340 0.384 0.000 0.207 163 L C 0.707 177.742 176.870 0.274 0.000 1.078 163 L CA 1.517 56.499 54.840 0.236 0.000 0.749 163 L CB -0.044 42.187 42.059 0.286 0.000 0.901 163 L HN 0.192 nan 8.230 nan 0.000 0.433 164 F N 0.600 120.497 119.950 -0.089 0.000 2.411 164 F HA 0.537 5.288 4.527 0.374 0.000 0.350 164 F C 0.057 175.767 175.800 -0.150 0.000 1.114 164 F CA -0.354 57.445 58.000 -0.334 0.000 1.135 164 F CB 0.782 39.473 39.000 -0.514 0.000 1.120 164 F HN -0.035 nan 8.300 nan 0.000 0.495 165 S N 2.269 117.633 115.700 -0.560 0.000 2.615 165 S HA 0.916 5.616 4.470 0.384 0.000 0.269 165 S C -0.510 173.932 174.600 -0.264 0.000 1.161 165 S CA -0.388 57.644 58.200 -0.280 0.000 0.817 165 S CB 1.548 64.714 63.200 -0.056 0.000 1.131 165 S HN 1.211 nan 8.310 nan 0.000 0.467 170 P HA 0.363 nan 4.420 nan 0.000 0.218 170 P C -0.018 177.242 177.300 -0.065 0.000 1.793 170 P CA -0.130 62.882 63.100 -0.148 0.000 0.941 170 P CB -0.403 31.237 31.700 -0.100 0.000 1.919 171 A N 1.863 124.677 122.820 -0.009 0.000 2.531 171 A HA 0.210 4.760 4.320 0.384 0.000 0.236 171 A C 1.040 178.436 177.584 -0.315 0.000 1.062 171 A CA 0.009 51.986 52.037 -0.100 0.000 0.760 171 A CB -0.145 18.845 19.000 -0.018 0.000 0.995 171 A HN 0.427 nan 8.150 nan 0.000 0.501 172 I N -0.329 120.036 120.570 -0.341 0.000 4.403 172 I HA 0.472 4.872 4.170 0.384 0.000 0.331 172 I C -0.115 175.854 176.117 -0.246 0.000 1.327 172 I CA 0.219 61.370 61.300 -0.248 0.000 1.175 172 I CB -0.128 37.846 38.000 -0.043 0.000 1.165 172 I HN 0.444 nan 8.210 nan 0.000 0.413 173 L N 1.207 122.237 121.223 -0.321 0.000 2.526 173 L HA 0.772 5.342 4.340 0.384 0.000 0.263 173 L C -1.876 174.939 176.870 -0.092 0.000 0.943 173 L CA -0.741 54.037 54.840 -0.103 0.000 0.859 173 L CB 2.259 44.287 42.059 -0.051 0.000 1.313 173 L HN -0.208 nan 8.230 nan 0.000 0.406 174 V N 5.581 125.540 119.914 0.075 0.000 2.443 174 V HA 0.410 4.760 4.120 0.384 0.000 0.293 174 V C -0.322 175.921 176.094 0.248 0.000 1.021 174 V CA -0.425 61.956 62.300 0.136 0.000 0.848 174 V CB 1.796 33.589 31.823 -0.049 0.000 0.998 174 V HN 0.666 nan 8.190 nan 0.000 0.424 175 L N 5.938 127.298 121.223 0.227 0.000 2.307 175 L HA 0.790 5.360 4.340 0.384 0.000 0.282 175 L C -0.893 176.140 176.870 0.271 0.000 1.051 175 L CA -0.194 54.771 54.840 0.207 0.000 0.804 175 L CB 1.574 43.711 42.059 0.130 0.000 1.197 175 L HN 0.473 nan 8.230 nan 0.000 0.431 176 V N 4.950 125.024 119.914 0.266 0.000 2.709 176 V HA 0.489 4.839 4.120 0.384 0.000 0.308 176 V C -0.613 175.654 176.094 0.288 0.000 1.062 176 V CA -0.789 61.712 62.300 0.334 0.000 0.901 176 V CB 1.931 34.010 31.823 0.427 0.000 1.003 176 V HN 0.835 nan 8.190 nan 0.000 0.425 177 N N 2.817 121.697 118.700 0.299 0.000 2.240 177 N HA 0.563 5.534 4.740 0.384 0.000 0.302 177 N C -1.739 173.990 175.510 0.365 0.000 1.106 177 N CA -0.251 52.943 53.050 0.241 0.000 0.778 177 N CB 2.899 41.462 38.487 0.127 0.000 1.431 177 N HN 0.717 nan 8.380 nan 0.000 0.479 178 Y N 1.059 121.527 120.300 0.279 0.000 2.581 178 Y HA 0.773 5.553 4.550 0.383 0.000 0.345 178 Y C -1.402 174.662 175.900 0.274 0.000 1.036 178 Y CA -1.109 57.161 58.100 0.283 0.000 1.042 178 Y CB 1.373 39.995 38.460 0.270 0.000 1.289 178 Y HN 0.402 nan 8.280 nan 0.000 0.471 179 I N 3.238 124.065 120.570 0.428 0.000 2.692 179 I HA 0.565 4.965 4.170 0.384 0.000 0.293 179 I C -2.330 174.125 176.117 0.564 0.000 1.200 179 I CA -0.941 60.572 61.300 0.355 0.000 1.036 179 I CB 1.915 40.018 38.000 0.171 0.000 1.258 179 I HN 0.762 nan 8.210 nan 0.000 0.421 180 F N 8.561 128.734 119.950 0.371 0.000 2.539 180 F HA 0.633 5.389 4.527 0.382 0.000 0.318 180 F C -2.104 173.888 175.800 0.319 0.000 1.135 180 F CA -0.768 57.425 58.000 0.321 0.000 0.915 180 F CB 1.621 40.757 39.000 0.227 0.000 1.176 180 F HN 0.337 nan 8.300 nan 0.000 0.440 181 F N 6.924 126.463 119.950 -0.684 0.000 2.547 181 F HA 0.560 5.318 4.527 0.384 0.000 0.316 181 F C -1.540 173.730 175.800 -0.883 0.000 1.121 181 F CA -0.650 57.021 58.000 -0.549 0.000 0.911 181 F CB 1.453 40.372 39.000 -0.135 0.000 1.179 181 F HN 0.520 nan 8.300 nan 0.000 0.443 182 K N 4.758 124.358 120.400 -1.334 0.000 2.579 182 K HA 0.662 5.212 4.320 0.384 0.000 0.250 182 K C -1.031 174.795 176.600 -1.289 0.000 0.952 182 K CA -0.615 55.012 56.287 -1.101 0.000 0.857 182 K CB 1.377 33.547 32.500 -0.550 0.000 1.123 182 K HN 0.905 nan 8.250 nan 0.000 0.433 183 G N 1.638 109.571 108.800 -1.445 0.000 2.448 183 G HA2 0.431 4.621 3.960 0.384 0.000 0.324 183 G HA3 0.431 4.621 3.960 0.384 0.000 0.324 183 G C -0.997 173.578 174.900 -0.542 0.000 1.203 183 G CA -0.435 43.959 45.100 -1.176 0.000 0.954 183 G HN 0.439 nan 8.290 nan 0.000 0.480 184 T N 1.485 115.929 114.554 -0.184 0.000 2.771 184 T HA 0.278 4.858 4.350 0.384 0.000 0.281 184 T C -0.314 174.485 174.700 0.165 0.000 0.982 184 T CA -0.134 61.933 62.100 -0.056 0.000 0.978 184 T CB 0.620 69.480 68.868 -0.013 0.000 0.930 184 T HN 0.444 nan 8.240 nan 0.000 0.447 185 W N 2.378 123.831 121.300 0.255 0.000 2.295 185 W HA 0.063 4.954 4.660 0.384 0.000 0.335 185 W C 1.735 178.289 176.519 0.057 0.000 1.351 185 W CA -0.472 56.944 57.345 0.119 0.000 1.273 185 W CB -0.105 29.395 29.460 0.066 0.000 1.214 185 W HN 0.682 nan 8.180 nan 0.000 0.563 186 T N 1.906 116.626 114.554 0.276 0.000 2.720 186 T HA -0.223 4.357 4.350 0.384 0.000 0.268 186 T C 0.596 175.353 174.700 0.095 0.000 1.037 186 T CA 1.293 63.481 62.100 0.147 0.000 1.144 186 T CB -0.100 68.827 68.868 0.099 0.000 0.864 186 T HN 0.408 nan 8.240 nan 0.000 0.444 187 Q N 1.762 121.595 119.800 0.056 0.000 2.456 187 Q HA 0.275 4.845 4.340 0.384 0.000 0.252 187 Q C -2.661 173.260 176.000 -0.131 0.000 1.042 187 Q CA -2.068 53.694 55.803 -0.069 0.000 0.766 187 Q CB 1.798 30.430 28.738 -0.177 0.000 1.196 187 Q HN 0.299 nan 8.270 nan 0.000 0.504 188 P HA 0.061 nan 4.420 nan 0.000 0.274 188 P C -0.603 176.614 177.300 -0.139 0.000 1.237 188 P CA -0.148 63.004 63.100 0.088 0.000 0.793 188 P CB 0.642 32.454 31.700 0.186 0.000 0.977 189 F N 0.107 120.005 119.950 -0.087 0.000 2.450 189 F HA 0.095 4.852 4.527 0.383 0.000 0.339 189 F C 1.449 177.216 175.800 -0.056 0.000 1.146 189 F CA 0.213 58.132 58.000 -0.134 0.000 1.267 189 F CB 0.081 38.984 39.000 -0.162 0.000 1.178 189 F HN 0.260 nan 8.300 nan 0.000 0.585 190 D N 2.567 123.024 120.400 0.094 0.000 2.338 190 D HA 0.097 4.967 4.640 0.384 0.000 0.255 190 D C 1.108 177.446 176.300 0.063 0.000 1.237 190 D CA 0.169 54.196 54.000 0.045 0.000 0.883 190 D CB 0.594 41.391 40.800 -0.006 0.000 1.087 190 D HN 0.487 nan 8.370 nan 0.000 0.485 191 L N 3.458 124.719 121.223 0.064 0.000 2.013 191 L HA -0.264 4.307 4.340 0.384 0.000 0.212 191 L C 2.095 178.986 176.870 0.035 0.000 1.073 191 L CA 1.654 56.527 54.840 0.055 0.000 0.753 191 L CB -0.357 41.732 42.059 0.049 0.000 0.890 191 L HN 0.587 nan 8.230 nan 0.000 0.432 192 A N -1.658 121.177 122.820 0.026 0.000 2.121 192 A HA -0.134 4.417 4.320 0.384 0.000 0.218 192 A C 2.320 179.915 177.584 0.018 0.000 1.154 192 A CA 1.643 53.691 52.037 0.019 0.000 0.679 192 A CB -0.293 18.715 19.000 0.013 0.000 0.795 192 A HN 0.426 nan 8.150 nan 0.000 0.458 193 S N -0.291 115.419 115.700 0.017 0.000 2.496 193 S HA 0.009 4.709 4.470 0.384 0.000 0.224 193 S C 0.817 175.434 174.600 0.027 0.000 0.996 193 S CA 0.320 58.528 58.200 0.013 0.000 0.927 193 S CB -0.202 62.991 63.200 -0.012 0.000 0.774 193 S HN 0.589 nan 8.310 nan 0.000 0.524 194 T N 3.998 118.568 114.554 0.026 0.000 2.871 194 T HA 0.157 4.738 4.350 0.384 0.000 0.296 194 T C 0.227 174.947 174.700 0.034 0.000 0.998 194 T CA 0.445 62.560 62.100 0.025 0.000 1.162 194 T CB 0.171 69.046 68.868 0.011 0.000 0.947 194 T HN 0.068 nan 8.240 nan 0.000 0.536 195 R N 2.136 122.664 120.500 0.046 0.000 2.725 195 R HA 0.289 4.859 4.340 0.384 0.000 0.277 195 R C -0.503 175.818 176.300 0.035 0.000 0.987 195 R CA -0.927 55.198 56.100 0.042 0.000 0.901 195 R CB 1.311 31.645 30.300 0.057 0.000 1.207 195 R HN 0.584 nan 8.270 nan 0.000 0.463 196 E N 2.552 122.765 120.200 0.022 0.000 2.366 196 E HA 0.066 4.647 4.350 0.384 0.000 0.266 196 E C -0.149 176.459 176.600 0.013 0.000 1.015 196 E CA 0.476 56.885 56.400 0.014 0.000 0.906 196 E CB 0.848 30.552 29.700 0.006 0.000 0.979 196 E HN 0.256 nan 8.360 nan 0.000 0.443 197 E N 1.962 122.169 120.200 0.011 0.000 2.416 197 E HA 0.311 4.892 4.350 0.384 0.000 0.273 197 E C -0.508 176.071 176.600 -0.035 0.000 0.935 197 E CA -1.052 55.343 56.400 -0.009 0.000 0.784 197 E CB 1.274 30.971 29.700 -0.005 0.000 1.301 197 E HN 0.258 nan 8.360 nan 0.000 0.454 198 N N 0.822 119.457 118.700 -0.109 0.000 2.518 198 N HA 0.218 5.188 4.740 0.384 0.000 0.266 198 N C -0.957 174.359 175.510 -0.323 0.000 1.196 198 N CA 0.131 53.021 53.050 -0.266 0.000 0.947 198 N CB 0.259 38.474 38.487 -0.455 0.000 1.098 198 N HN 0.310 nan 8.380 nan 0.000 0.450 199 F N 2.624 122.313 119.950 -0.436 0.000 2.499 199 F HA 0.331 5.088 4.527 0.384 0.000 0.333 199 F C -1.106 174.500 175.800 -0.324 0.000 1.138 199 F CA -0.943 56.887 58.000 -0.284 0.000 0.945 199 F CB 0.550 39.512 39.000 -0.063 0.000 1.181 199 F HN 0.364 nan 8.300 nan 0.000 0.435 200 Y N 6.254 126.491 120.300 -0.106 0.000 2.556 200 Y HA 0.251 5.031 4.550 0.383 0.000 0.352 200 Y C 1.011 176.937 175.900 0.045 0.000 1.006 200 Y CA -0.482 57.608 58.100 -0.017 0.000 1.277 200 Y CB 0.679 39.086 38.460 -0.089 0.000 1.136 200 Y HN 0.455 nan 8.280 nan 0.000 0.523 201 V N 1.914 122.020 119.914 0.320 0.000 2.307 201 V HA -0.182 4.168 4.120 0.384 0.000 0.245 201 V C 0.569 176.790 176.094 0.211 0.000 1.045 201 V CA 2.082 64.581 62.300 0.331 0.000 1.024 201 V CB -0.439 31.537 31.823 0.256 0.000 0.651 201 V HN 0.880 nan 8.190 nan 0.000 0.449 202 D N -2.916 117.585 120.400 0.168 0.000 2.921 202 D HA 0.108 4.979 4.640 0.384 0.000 0.329 202 D C 0.843 177.203 176.300 0.100 0.000 1.293 202 D CA -0.333 53.736 54.000 0.115 0.000 0.964 202 D CB 0.532 41.388 40.800 0.093 0.000 1.435 202 D HN -0.046 nan 8.370 nan 0.000 0.548 203 E N -1.283 118.955 120.200 0.063 0.000 2.160 203 E HA -0.169 4.412 4.350 0.384 0.000 0.195 203 E C 0.897 177.529 176.600 0.055 0.000 0.991 203 E CA 2.062 58.486 56.400 0.040 0.000 0.810 203 E CB 0.030 29.743 29.700 0.022 0.000 0.742 203 E HN 0.554 nan 8.360 nan 0.000 0.466 204 T N -3.530 111.065 114.554 0.069 0.000 3.040 204 T HA 0.168 4.748 4.350 0.384 0.000 0.266 204 T C 0.360 175.114 174.700 0.091 0.000 1.005 204 T CA -0.383 61.759 62.100 0.071 0.000 0.906 204 T CB 0.777 69.675 68.868 0.050 0.000 1.082 204 T HN -0.165 nan 8.240 nan 0.000 0.531 205 T N 2.390 117.010 114.554 0.110 0.000 2.794 205 T HA 0.685 5.265 4.350 0.384 0.000 0.280 205 T C -0.876 173.908 174.700 0.140 0.000 0.987 205 T CA -0.467 61.698 62.100 0.109 0.000 0.993 205 T CB 1.860 70.788 68.868 0.099 0.000 0.939 205 T HN 0.125 nan 8.240 nan 0.000 0.449 206 V N 3.940 123.914 119.914 0.100 0.000 2.623 206 V HA 0.662 5.013 4.120 0.384 0.000 0.304 206 V C -0.148 175.963 176.094 0.028 0.000 1.054 206 V CA -0.958 61.372 62.300 0.049 0.000 0.882 206 V CB 1.755 33.585 31.823 0.011 0.000 1.002 206 V HN 0.828 nan 8.190 nan 0.000 0.424 207 V N 1.379 121.314 119.914 0.036 0.000 2.919 207 V HA 0.752 5.103 4.120 0.384 0.000 0.316 207 V C -0.491 175.601 176.094 -0.004 0.000 1.077 207 V CA -0.991 61.317 62.300 0.013 0.000 0.977 207 V CB 2.193 34.015 31.823 -0.001 0.000 1.039 207 V HN 0.675 nan 8.190 nan 0.000 0.441 208 K N 1.682 122.073 120.400 -0.015 0.000 2.172 208 K HA 0.754 5.305 4.320 0.384 0.000 0.276 208 K C -0.980 175.611 176.600 -0.015 0.000 1.013 208 K CA -0.329 55.949 56.287 -0.015 0.000 0.913 208 K CB 1.868 34.359 32.500 -0.015 0.000 1.055 208 K HN 0.707 nan 8.250 nan 0.000 0.461 209 V N 4.368 124.283 119.914 0.001 0.000 2.971 209 V HA 0.389 4.739 4.120 0.384 0.000 0.309 209 V C -2.638 173.462 176.094 0.011 0.000 1.130 209 V CA -2.569 59.728 62.300 -0.005 0.000 0.964 209 V CB 2.656 34.472 31.823 -0.011 0.000 1.029 209 V HN 0.505 nan 8.190 nan 0.000 0.427 210 P HA 0.319 nan 4.420 nan 0.000 0.276 210 P C -0.968 176.336 177.300 0.006 0.000 1.243 210 P CA -0.134 62.968 63.100 0.003 0.000 0.768 210 P CB 0.455 32.149 31.700 -0.010 0.000 0.856 211 M N 5.262 124.879 119.600 0.027 0.000 2.066 211 M HA 0.354 5.064 4.480 0.384 0.000 0.340 211 M C -0.685 175.630 176.300 0.025 0.000 1.053 211 M CA -0.454 54.877 55.300 0.050 0.000 0.983 211 M CB 0.371 33.041 32.600 0.117 0.000 1.520 211 M HN 0.241 nan 8.290 nan 0.000 0.428 212 M N 4.233 123.774 119.600 -0.098 0.000 2.241 212 M HA 0.458 5.168 4.480 0.384 0.000 0.335 212 M C -0.967 175.291 176.300 -0.070 0.000 1.122 212 M CA -0.553 54.643 55.300 -0.174 0.000 1.164 212 M CB 0.960 33.203 32.600 -0.595 0.000 1.459 212 M HN 0.693 nan 8.290 nan 0.000 0.461 213 L N 2.808 124.043 121.223 0.020 0.000 2.455 213 L HA 0.481 5.051 4.340 0.384 0.000 0.264 213 L C -1.379 175.493 176.870 0.004 0.000 0.968 213 L CA -0.104 54.673 54.840 -0.105 0.000 0.827 213 L CB 2.236 44.077 42.059 -0.364 0.000 1.317 213 L HN 0.811 nan 8.230 nan 0.000 0.407 214 Q N 2.138 121.855 119.800 -0.137 0.000 2.421 214 Q HA 0.671 5.241 4.340 0.384 0.000 0.280 214 Q C -1.527 174.315 176.000 -0.264 0.000 1.085 214 Q CA -0.808 54.849 55.803 -0.242 0.000 0.807 214 Q CB 1.969 30.458 28.738 -0.416 0.000 1.405 214 Q HN 0.591 nan 8.270 nan 0.000 0.419 215 S N 1.372 116.948 115.700 -0.206 0.000 2.520 215 S HA 0.647 5.347 4.470 0.384 0.000 0.324 215 S C -1.283 173.225 174.600 -0.154 0.000 1.069 215 S CA -0.088 58.009 58.200 -0.172 0.000 1.121 215 S CB 0.316 63.438 63.200 -0.130 0.000 0.971 215 S HN 0.598 nan 8.310 nan 0.000 0.463 216 S N 2.406 118.009 115.700 -0.161 0.000 2.625 216 S HA 0.457 5.157 4.470 0.384 0.000 0.271 216 S C -0.967 173.564 174.600 -0.115 0.000 1.161 216 S CA -0.885 57.228 58.200 -0.145 0.000 0.820 216 S CB 1.669 64.752 63.200 -0.194 0.000 1.137 216 S HN 0.583 nan 8.310 nan 0.000 0.470 217 T N 2.028 116.529 114.554 -0.088 0.000 2.727 217 T HA 0.501 5.081 4.350 0.384 0.000 0.295 217 T C -0.342 174.323 174.700 -0.059 0.000 0.915 217 T CA 0.245 62.309 62.100 -0.061 0.000 1.066 217 T CB -0.699 68.146 68.868 -0.039 0.000 0.891 217 T HN 0.328 nan 8.240 nan 0.000 0.516 218 I N 1.781 122.326 120.570 -0.042 0.000 2.608 218 I HA 0.249 4.649 4.170 0.384 0.000 0.295 218 I C 0.335 176.482 176.117 0.050 0.000 1.049 218 I CA -0.883 60.403 61.300 -0.024 0.000 1.063 218 I CB 2.186 40.153 38.000 -0.055 0.000 1.248 218 I HN 0.403 nan 8.210 nan 0.000 0.424 219 S N 4.821 120.554 115.700 0.056 0.000 2.506 219 S HA 0.097 4.797 4.470 0.384 0.000 0.291 219 S C -0.869 173.828 174.600 0.161 0.000 1.230 219 S CA 0.226 58.484 58.200 0.096 0.000 1.107 219 S CB -0.428 62.811 63.200 0.065 0.000 0.942 219 S HN 0.400 nan 8.310 nan 0.000 0.502 220 Y N 3.812 124.135 120.300 0.039 0.000 2.512 220 Y HA 0.698 5.478 4.550 0.384 0.000 0.348 220 Y C -1.317 174.617 175.900 0.057 0.000 0.990 220 Y CA -1.412 56.715 58.100 0.046 0.000 1.033 220 Y CB 1.097 39.578 38.460 0.035 0.000 1.259 220 Y HN 0.472 nan 8.280 nan 0.000 0.461 221 L N 6.054 126.848 121.223 -0.715 0.000 2.470 221 L HA 0.362 4.932 4.340 0.384 0.000 0.268 221 L C -2.001 174.410 176.870 -0.765 0.000 0.964 221 L CA -0.499 54.009 54.840 -0.554 0.000 0.839 221 L CB 1.376 43.308 42.059 -0.211 0.000 1.276 221 L HN 0.833 nan 8.230 nan 0.000 0.403 222 H N 4.012 122.722 119.070 -0.601 0.000 2.761 222 H HA 0.302 5.088 4.556 0.384 0.000 0.284 222 H C -0.978 174.273 175.328 -0.128 0.000 1.105 222 H CA -0.333 55.547 56.048 -0.280 0.000 1.352 222 H CB 0.510 30.252 29.762 -0.033 0.000 1.423 222 H HN 0.645 nan 8.280 nan 0.000 0.464 223 D N 2.542 123.046 120.400 0.174 0.000 2.417 223 D HA -0.081 4.790 4.640 0.384 0.000 0.250 223 D C 0.977 177.386 176.300 0.183 0.000 1.166 223 D CA 0.344 54.443 54.000 0.165 0.000 0.881 223 D CB 0.924 41.840 40.800 0.194 0.000 1.164 223 D HN 0.648 nan 8.370 nan 0.000 0.467 224 S N 2.212 117.969 115.700 0.094 0.000 2.503 224 S HA -0.052 4.649 4.470 0.384 0.000 0.217 224 S C 1.019 175.649 174.600 0.051 0.000 0.999 224 S CA 0.211 58.433 58.200 0.038 0.000 0.914 224 S CB -0.089 63.100 63.200 -0.017 0.000 0.782 224 S HN 0.665 nan 8.310 nan 0.000 0.520 225 E N 0.418 120.661 120.200 0.072 0.000 2.538 225 E HA 0.397 4.977 4.350 0.384 0.000 0.207 225 E C -0.100 176.541 176.600 0.068 0.000 1.002 225 E CA -0.363 56.068 56.400 0.052 0.000 0.952 225 E CB 0.170 29.886 29.700 0.026 0.000 1.031 225 E HN 0.419 nan 8.360 nan 0.000 0.476 226 L N 1.778 123.069 121.223 0.114 0.000 2.388 226 L HA 0.424 4.994 4.340 0.384 0.000 0.264 226 L C -2.465 174.477 176.870 0.120 0.000 0.998 226 L CA -2.659 52.255 54.840 0.123 0.000 0.817 226 L CB 2.749 44.924 42.059 0.193 0.000 1.338 226 L HN -0.139 nan 8.230 nan 0.000 0.414 227 P HA 0.117 nan 4.420 nan 0.000 0.230 227 P C -0.882 176.444 177.300 0.042 0.000 1.791 227 P CA -0.137 63.003 63.100 0.066 0.000 1.020 227 P CB -0.297 31.432 31.700 0.048 0.000 1.977 228 C N -0.139 119.178 119.300 0.027 0.000 3.311 228 C HA 0.632 5.322 4.460 0.384 0.000 0.325 228 C C -1.130 173.766 174.990 -0.156 0.000 1.352 228 C CA -0.810 58.181 59.018 -0.044 0.000 1.308 228 C CB 1.850 29.598 27.740 0.014 0.000 1.619 228 C HN 0.350 nan 8.230 nan 0.000 0.469 229 Q N 0.917 120.585 119.800 -0.220 0.000 2.377 229 Q HA 0.873 5.443 4.340 0.384 0.000 0.271 229 Q C -1.112 174.757 176.000 -0.218 0.000 1.077 229 Q CA -0.639 54.989 55.803 -0.291 0.000 0.820 229 Q CB 2.634 31.210 28.738 -0.269 0.000 1.347 229 Q HN 0.835 nan 8.270 nan 0.000 0.444 230 L N -1.612 119.445 121.223 -0.277 0.000 2.465 230 L HA 0.921 5.491 4.340 0.384 0.000 0.257 230 L C -0.847 176.031 176.870 0.013 0.000 0.988 230 L CA -1.199 53.583 54.840 -0.096 0.000 0.827 230 L CB 1.666 43.499 42.059 -0.377 0.000 1.397 230 L HN 0.427 nan 8.230 nan 0.000 0.410 231 V N -1.073 118.976 119.914 0.224 0.000 2.914 231 V HA 0.635 4.986 4.120 0.384 0.000 0.314 231 V C -0.843 175.338 176.094 0.145 0.000 1.084 231 V CA -0.508 61.911 62.300 0.199 0.000 0.963 231 V CB 1.701 33.664 31.823 0.233 0.000 1.025 231 V HN 1.050 nan 8.190 nan 0.000 0.432 232 Q N 3.314 123.122 119.800 0.014 0.000 2.307 232 Q HA 0.680 5.250 4.340 0.384 0.000 0.262 232 Q C -1.179 174.768 176.000 -0.088 0.000 0.961 232 Q CA -0.744 54.937 55.803 -0.203 0.000 0.882 232 Q CB 1.722 30.201 28.738 -0.431 0.000 1.264 232 Q HN 0.888 nan 8.270 nan 0.000 0.446 233 M N 2.477 122.039 119.600 -0.063 0.000 2.528 233 M HA 0.495 5.205 4.480 0.384 0.000 0.321 233 M C -0.864 175.411 176.300 -0.042 0.000 1.153 233 M CA -1.081 54.201 55.300 -0.031 0.000 0.951 233 M CB 1.688 34.290 32.600 0.004 0.000 1.705 233 M HN 0.472 nan 8.290 nan 0.000 0.451 234 N N 1.057 119.750 118.700 -0.011 0.000 2.466 234 N HA 0.547 5.517 4.740 0.384 0.000 0.294 234 N C -1.455 174.057 175.510 0.003 0.000 1.129 234 N CA -0.230 52.833 53.050 0.021 0.000 0.931 234 N CB 1.186 39.721 38.487 0.080 0.000 1.193 234 N HN 0.469 nan 8.380 nan 0.000 0.500 235 Y N -0.598 119.848 120.300 0.244 0.000 2.432 235 Y HA 0.325 5.105 4.550 0.384 0.000 0.322 235 Y C 0.668 176.642 175.900 0.124 0.000 1.246 235 Y CA -1.029 57.179 58.100 0.181 0.000 1.268 235 Y CB 0.854 39.407 38.460 0.154 0.000 1.276 235 Y HN 0.071 nan 8.280 nan 0.000 0.499 236 V N 2.623 122.689 119.914 0.253 0.000 2.540 236 V HA 0.344 4.694 4.120 0.384 0.000 0.297 236 V C 0.723 176.900 176.094 0.138 0.000 1.024 236 V CA 1.141 63.529 62.300 0.148 0.000 1.105 236 V CB -0.248 31.631 31.823 0.093 0.000 0.938 236 V HN 1.072 nan 8.190 nan 0.000 0.482 237 G N 5.360 114.230 108.800 0.117 0.000 2.466 237 G HA2 -0.214 3.976 3.960 0.384 0.000 0.218 237 G HA3 -0.214 3.976 3.960 0.384 0.000 0.218 237 G C 0.331 175.323 174.900 0.152 0.000 1.237 237 G CA 0.197 45.365 45.100 0.113 0.000 0.954 237 G HN 0.562 nan 8.290 nan 0.000 0.580 238 N N 1.433 120.240 118.700 0.177 0.000 2.299 238 N HA 0.214 5.185 4.740 0.384 0.000 0.187 238 N C 1.259 176.927 175.510 0.262 0.000 1.099 238 N CA 1.049 54.221 53.050 0.204 0.000 0.867 238 N CB 0.184 38.799 38.487 0.213 0.000 0.974 238 N HN 0.956 nan 8.380 nan 0.000 0.477 239 G N -0.350 108.651 108.800 0.335 0.000 2.483 239 G HA2 0.329 4.519 3.960 0.384 0.000 0.248 239 G HA3 0.329 4.519 3.960 0.384 0.000 0.248 239 G C -0.291 174.895 174.900 0.477 0.000 1.248 239 G CA 0.234 45.593 45.100 0.432 0.000 0.838 239 G HN 0.037 nan 8.290 nan 0.000 0.566 240 T N -0.866 113.887 114.554 0.332 0.000 2.883 240 T HA 0.570 5.150 4.350 0.384 0.000 0.301 240 T C -1.326 173.487 174.700 0.189 0.000 1.158 240 T CA -0.458 61.743 62.100 0.170 0.000 1.007 240 T CB 1.885 70.765 68.868 0.019 0.000 1.186 240 T HN 1.001 nan 8.240 nan 0.000 0.499 241 V N 3.887 123.817 119.914 0.027 0.000 2.851 241 V HA 0.733 5.083 4.120 0.384 0.000 0.307 241 V C -1.868 174.154 176.094 -0.120 0.000 1.129 241 V CA -0.807 61.529 62.300 0.061 0.000 0.932 241 V CB 1.485 33.342 31.823 0.057 0.000 1.024 241 V HN 0.852 nan 8.190 nan 0.000 0.426 242 F N 6.347 126.350 119.950 0.090 0.000 2.420 242 F HA 0.658 5.415 4.527 0.384 0.000 0.342 242 F C -0.247 175.487 175.800 -0.111 0.000 1.113 242 F CA -0.491 57.566 58.000 0.093 0.000 1.059 242 F CB 1.445 40.595 39.000 0.250 0.000 1.128 242 F HN 0.358 nan 8.300 nan 0.000 0.475 243 F N 4.133 124.246 119.950 0.270 0.000 2.411 243 F HA 0.585 5.343 4.527 0.385 0.000 0.352 243 F C -0.429 175.593 175.800 0.370 0.000 1.123 243 F CA -0.754 57.366 58.000 0.201 0.000 1.044 243 F CB 1.136 39.939 39.000 -0.329 0.000 1.135 243 F HN 0.143 nan 8.300 nan 0.000 0.461 244 I N 4.725 125.671 120.570 0.625 0.000 2.418 244 I HA 0.317 4.717 4.170 0.384 0.000 0.287 244 I C -1.096 175.330 176.117 0.515 0.000 1.008 244 I CA -0.587 60.945 61.300 0.387 0.000 1.104 244 I CB 1.817 39.896 38.000 0.133 0.000 1.264 244 I HN 0.368 nan 8.210 nan 0.000 0.438 245 L N 9.652 131.013 121.223 0.230 0.000 2.277 245 L HA 0.667 5.237 4.340 0.384 0.000 0.284 245 L C -2.481 174.384 176.870 -0.009 0.000 1.028 245 L CA -1.691 53.155 54.840 0.011 0.000 0.835 245 L CB 0.698 42.405 42.059 -0.587 0.000 1.215 245 L HN 0.281 nan 8.230 nan 0.000 0.425 246 P HA 0.100 nan 4.420 nan 0.000 0.269 246 P C -1.016 176.276 177.300 -0.014 0.000 1.215 246 P CA -0.177 62.952 63.100 0.049 0.000 0.780 246 P CB 0.448 32.205 31.700 0.096 0.000 0.898 247 D N 1.036 121.422 120.400 -0.023 0.000 2.400 247 D HA 0.003 4.873 4.640 0.384 0.000 0.238 247 D C 0.512 176.798 176.300 -0.023 0.000 1.157 247 D CA 0.180 54.155 54.000 -0.042 0.000 0.889 247 D CB 0.301 41.085 40.800 -0.026 0.000 1.199 247 D HN 0.234 nan 8.370 nan 0.000 0.436 248 K N 0.423 120.798 120.400 -0.041 0.000 2.491 248 K HA 0.093 4.643 4.320 0.384 0.000 0.279 248 K C 0.971 177.565 176.600 -0.011 0.000 1.026 248 K CA 0.844 57.111 56.287 -0.033 0.000 1.070 248 K CB -0.066 32.398 32.500 -0.060 0.000 0.887 248 K HN 0.644 nan 8.250 nan 0.000 0.481 249 G N 3.681 112.485 108.800 0.006 0.000 2.162 249 G HA2 -0.235 3.956 3.960 0.384 0.000 0.260 249 G HA3 -0.235 3.956 3.960 0.384 0.000 0.260 249 G C 0.454 175.367 174.900 0.022 0.000 0.976 249 G CA 0.281 45.390 45.100 0.015 0.000 0.655 249 G HN 0.625 nan 8.290 nan 0.000 0.533 250 K N -0.648 119.769 120.400 0.028 0.000 2.399 250 K HA 0.373 4.923 4.320 0.384 0.000 0.204 250 K C 1.974 178.607 176.600 0.056 0.000 1.023 250 K CA 0.301 56.610 56.287 0.036 0.000 1.127 250 K CB 0.080 32.598 32.500 0.031 0.000 0.856 250 K HN 0.453 nan 8.250 nan 0.000 0.514 251 M N 1.769 121.410 119.600 0.068 0.000 2.089 251 M HA -0.214 4.496 4.480 0.384 0.000 0.257 251 M C 1.045 177.393 176.300 0.080 0.000 1.071 251 M CA 1.870 57.227 55.300 0.094 0.000 1.096 251 M CB -0.314 32.346 32.600 0.100 0.000 1.330 251 M HN 0.019 nan 8.290 nan 0.000 0.403 252 N N -0.795 117.935 118.700 0.050 0.000 2.244 252 N HA -0.079 4.891 4.740 0.384 0.000 0.183 252 N C 1.606 177.132 175.510 0.027 0.000 1.016 252 N CA 1.876 54.944 53.050 0.030 0.000 0.866 252 N CB -0.729 37.764 38.487 0.011 0.000 0.980 252 N HN 0.491 nan 8.380 nan 0.000 0.430 253 T N 0.664 115.237 114.554 0.033 0.000 2.746 253 T HA -0.038 4.542 4.350 0.384 0.000 0.267 253 T C 2.135 176.860 174.700 0.041 0.000 1.039 253 T CA 0.890 63.007 62.100 0.028 0.000 1.142 253 T CB -0.230 68.656 68.868 0.030 0.000 0.866 253 T HN -0.025 nan 8.240 nan 0.000 0.444 254 V N 1.316 121.276 119.914 0.077 0.000 2.307 254 V HA -0.081 4.269 4.120 0.384 0.000 0.245 254 V C 2.414 178.566 176.094 0.097 0.000 1.045 254 V CA 1.297 63.670 62.300 0.121 0.000 1.024 254 V CB -0.592 31.340 31.823 0.181 0.000 0.651 254 V HN 0.465 nan 8.190 nan 0.000 0.449 255 I N 0.643 121.276 120.570 0.105 0.000 2.226 255 I HA -0.257 4.143 4.170 0.384 0.000 0.245 255 I C 2.713 178.843 176.117 0.021 0.000 1.100 255 I CA 1.542 62.909 61.300 0.112 0.000 1.374 255 I CB -0.623 37.453 38.000 0.127 0.000 1.057 255 I HN 0.307 nan 8.210 nan 0.000 0.413 256 A N 0.758 123.574 122.820 -0.007 0.000 1.940 256 A HA -0.190 4.360 4.320 0.384 0.000 0.219 256 A C 2.421 179.957 177.584 -0.081 0.000 1.176 256 A CA 1.947 53.958 52.037 -0.044 0.000 0.631 256 A CB -0.694 18.283 19.000 -0.038 0.000 0.814 256 A HN 0.468 nan 8.150 nan 0.000 0.446 257 A N -0.757 122.010 122.820 -0.088 0.000 2.167 257 A HA 0.339 4.889 4.320 0.384 0.000 0.214 257 A C 0.934 178.343 177.584 -0.291 0.000 1.151 257 A CA -0.140 51.806 52.037 -0.152 0.000 0.735 257 A CB -0.441 18.491 19.000 -0.114 0.000 0.802 257 A HN 0.446 nan 8.150 nan 0.000 0.467 258 L N 1.789 122.807 121.223 -0.341 0.000 2.559 258 L HA 0.221 4.791 4.340 0.384 0.000 0.274 258 L C 0.534 176.935 176.870 -0.782 0.000 1.205 258 L CA 0.380 54.797 54.840 -0.705 0.000 0.907 258 L CB 0.080 41.681 42.059 -0.764 0.000 1.153 258 L HN 0.526 nan 8.230 nan 0.000 0.490 259 S N 2.181 117.361 115.700 -0.867 0.000 2.627 259 S HA 0.317 5.018 4.470 0.384 0.000 0.268 259 S C 0.326 174.837 174.600 -0.148 0.000 1.130 259 S CA -1.065 56.941 58.200 -0.324 0.000 0.819 259 S CB 1.539 64.606 63.200 -0.222 0.000 1.100 259 S HN 0.596 nan 8.310 nan 0.000 0.465 260 R N 0.342 120.874 120.500 0.054 0.000 2.103 260 R HA -0.122 4.448 4.340 0.384 0.000 0.242 260 R C 0.943 177.130 176.300 -0.188 0.000 1.142 260 R CA 2.352 58.434 56.100 -0.030 0.000 0.960 260 R CB -0.595 29.683 30.300 -0.037 0.000 0.858 260 R HN 0.693 nan 8.270 nan 0.000 0.439 261 D N -0.800 119.484 120.400 -0.193 0.000 2.144 261 D HA -0.107 4.763 4.640 0.384 0.000 0.199 261 D C 1.786 177.891 176.300 -0.325 0.000 0.984 261 D CA 1.392 55.259 54.000 -0.222 0.000 0.834 261 D CB -0.417 40.279 40.800 -0.173 0.000 0.955 261 D HN 0.174 nan 8.370 nan 0.000 0.465 262 T N 1.382 115.667 114.554 -0.449 0.000 2.708 262 T HA -0.112 4.468 4.350 0.384 0.000 0.266 262 T C 1.911 176.062 174.700 -0.915 0.000 1.037 262 T CA 0.564 62.213 62.100 -0.751 0.000 1.146 262 T CB -0.093 68.222 68.868 -0.922 0.000 0.865 262 T HN 0.041 nan 8.240 nan 0.000 0.435 263 I N 2.483 122.629 120.570 -0.708 0.000 2.163 263 I HA -0.156 4.244 4.170 0.384 0.000 0.243 263 I C 2.171 178.060 176.117 -0.381 0.000 1.085 263 I CA 1.219 62.194 61.300 -0.541 0.000 1.347 263 I CB -1.480 36.235 38.000 -0.474 0.000 1.044 263 I HN 0.247 nan 8.210 nan 0.000 0.408 264 N N 0.557 119.038 118.700 -0.365 0.000 2.166 264 N HA -0.200 4.771 4.740 0.384 0.000 0.186 264 N C 2.013 177.430 175.510 -0.155 0.000 1.019 264 N CA 1.027 53.914 53.050 -0.271 0.000 0.856 264 N CB -0.410 37.926 38.487 -0.251 0.000 0.993 264 N HN 0.418 nan 8.380 nan 0.000 0.426 265 R N -0.392 119.998 120.500 -0.183 0.000 2.090 265 R HA -0.076 4.494 4.340 0.384 0.000 0.228 265 R C 1.767 178.110 176.300 0.071 0.000 1.110 265 R CA 0.843 56.889 56.100 -0.090 0.000 0.973 265 R CB -0.094 30.117 30.300 -0.148 0.000 0.869 265 R HN 0.211 nan 8.270 nan 0.000 0.440 266 W N 0.675 121.928 121.300 -0.078 0.000 2.355 266 W HA -0.058 4.832 4.660 0.384 0.000 0.309 266 W C 2.365 178.922 176.519 0.063 0.000 1.206 266 W CA 0.956 58.292 57.345 -0.014 0.000 1.284 266 W CB -1.130 28.302 29.460 -0.047 0.000 1.145 266 W HN 0.095 nan 8.180 nan 0.000 0.502 267 S N 0.399 116.267 115.700 0.279 0.000 2.370 267 S HA -0.141 4.559 4.470 0.384 0.000 0.226 267 S C 2.020 176.711 174.600 0.152 0.000 1.033 267 S CA 1.663 60.003 58.200 0.234 0.000 1.011 267 S CB -0.766 62.503 63.200 0.115 0.000 0.852 267 S HN 0.225 nan 8.310 nan 0.000 0.457 268 A N 1.000 123.876 122.820 0.094 0.000 2.066 268 A HA 0.207 4.757 4.320 0.384 0.000 0.218 268 A C 2.159 179.793 177.584 0.084 0.000 1.157 268 A CA 1.415 53.492 52.037 0.068 0.000 0.670 268 A CB -0.824 18.193 19.000 0.028 0.000 0.804 268 A HN 0.523 nan 8.150 nan 0.000 0.453 269 G N -0.739 108.129 108.800 0.114 0.000 2.545 269 G HA2 0.272 4.462 3.960 0.384 0.000 0.212 269 G HA3 0.272 4.462 3.960 0.384 0.000 0.212 269 G C 0.615 175.573 174.900 0.097 0.000 1.144 269 G CA -0.298 44.863 45.100 0.102 0.000 0.813 269 G HN 0.377 nan 8.290 nan 0.000 0.531 270 L N 2.026 123.322 121.223 0.122 0.000 2.593 270 L HA 0.173 4.744 4.340 0.384 0.000 0.287 270 L C -0.088 176.846 176.870 0.106 0.000 1.243 270 L CA 0.397 55.303 54.840 0.110 0.000 0.890 270 L CB 0.511 42.658 42.059 0.147 0.000 1.134 270 L HN -0.041 nan 8.230 nan 0.000 0.502 271 T N 1.522 116.146 114.554 0.117 0.000 2.881 271 T HA 0.185 4.766 4.350 0.384 0.000 0.290 271 T C -0.222 174.553 174.700 0.125 0.000 1.000 271 T CA -0.684 61.485 62.100 0.115 0.000 0.978 271 T CB 1.598 70.538 68.868 0.119 0.000 0.997 271 T HN 0.477 nan 8.240 nan 0.000 0.443 272 S N 3.204 118.956 115.700 0.086 0.000 2.670 272 S HA 0.304 5.004 4.470 0.384 0.000 0.308 272 S C 0.203 174.836 174.600 0.055 0.000 1.232 272 S CA -0.193 58.044 58.200 0.062 0.000 1.126 272 S CB -0.213 63.011 63.200 0.040 0.000 0.897 272 S HN 0.704 nan 8.310 nan 0.000 0.508 273 S N 2.653 118.379 115.700 0.044 0.000 2.595 273 S HA 0.418 5.118 4.470 0.384 0.000 0.281 273 S C -1.076 173.493 174.600 -0.052 0.000 1.117 273 S CA -1.141 57.059 58.200 -0.001 0.000 0.873 273 S CB 1.289 64.488 63.200 -0.002 0.000 1.108 273 S HN 0.525 nan 8.310 nan 0.000 0.477 274 Q N 1.239 120.993 119.800 -0.077 0.000 2.295 274 Q HA 0.590 5.161 4.340 0.384 0.000 0.259 274 Q C -1.006 174.909 176.000 -0.140 0.000 0.976 274 Q CA -0.076 55.672 55.803 -0.093 0.000 0.923 274 Q CB 0.892 29.586 28.738 -0.073 0.000 1.185 274 Q HN 0.442 nan 8.270 nan 0.000 0.410 275 V N 2.737 122.566 119.914 -0.142 0.000 2.577 275 V HA 0.264 4.614 4.120 0.384 0.000 0.303 275 V C -0.873 175.139 176.094 -0.138 0.000 1.042 275 V CA -1.054 61.148 62.300 -0.163 0.000 0.872 275 V CB 2.287 34.015 31.823 -0.158 0.000 0.998 275 V HN 0.636 nan 8.190 nan 0.000 0.423 276 D N 4.205 124.538 120.400 -0.111 0.000 2.374 276 D HA 0.299 5.169 4.640 0.384 0.000 0.240 276 D C -0.377 175.850 176.300 -0.122 0.000 1.229 276 D CA -0.039 53.873 54.000 -0.147 0.000 0.895 276 D CB 1.508 42.274 40.800 -0.058 0.000 1.046 276 D HN 0.290 nan 8.370 nan 0.000 0.498 277 L N 4.457 125.565 121.223 -0.191 0.000 2.262 277 L HA 0.289 4.860 4.340 0.384 0.000 0.288 277 L C -1.531 175.304 176.870 -0.059 0.000 1.035 277 L CA -0.626 54.185 54.840 -0.047 0.000 0.820 277 L CB 0.263 42.267 42.059 -0.092 0.000 1.204 277 L HN 0.146 nan 8.230 nan 0.000 0.424 278 Y N 6.054 126.403 120.300 0.082 0.000 2.331 278 Y HA 0.630 5.410 4.550 0.383 0.000 0.338 278 Y C -0.042 175.854 175.900 -0.007 0.000 0.976 278 Y CA -0.476 57.648 58.100 0.041 0.000 1.137 278 Y CB 1.208 39.682 38.460 0.024 0.000 1.172 278 Y HN 0.414 nan 8.280 nan 0.000 0.478 279 I N 6.241 126.760 120.570 -0.085 0.000 2.569 279 I HA 0.349 4.750 4.170 0.384 0.000 0.290 279 I C -2.544 173.410 176.117 -0.272 0.000 1.088 279 I CA -2.515 58.575 61.300 -0.350 0.000 1.047 279 I CB 2.923 40.453 38.000 -0.785 0.000 1.237 279 I HN 0.332 nan 8.210 nan 0.000 0.421 280 P HA 0.124 nan 4.420 nan 0.000 0.275 280 P C -1.101 176.165 177.300 -0.057 0.000 1.228 280 P CA -0.478 62.622 63.100 -0.001 0.000 0.786 280 P CB 0.604 32.400 31.700 0.159 0.000 0.927 281 K N 1.189 121.549 120.400 -0.067 0.000 2.453 281 K HA 0.217 4.767 4.320 0.384 0.000 0.280 281 K C -0.255 176.340 176.600 -0.008 0.000 1.045 281 K CA 0.033 56.296 56.287 -0.041 0.000 1.059 281 K CB 0.038 32.515 32.500 -0.037 0.000 0.901 281 K HN 0.248 nan 8.250 nan 0.000 0.475 282 V N 3.124 123.047 119.914 0.014 0.000 2.540 282 V HA 0.227 4.578 4.120 0.384 0.000 0.302 282 V C -0.367 175.698 176.094 -0.048 0.000 1.035 282 V CA -0.656 61.644 62.300 -0.001 0.000 0.873 282 V CB 2.150 34.015 31.823 0.070 0.000 0.992 282 V HN 0.744 nan 8.190 nan 0.000 0.428 283 T N 6.685 121.193 114.554 -0.076 0.000 2.930 283 T HA 0.633 5.213 4.350 0.384 0.000 0.313 283 T C -0.466 174.168 174.700 -0.110 0.000 1.019 283 T CA -0.156 61.886 62.100 -0.096 0.000 1.004 283 T CB 0.480 69.308 68.868 -0.067 0.000 0.987 283 T HN 0.643 nan 8.240 nan 0.000 0.456 284 I N 0.327 120.800 120.570 -0.161 0.000 2.934 284 I HA 0.961 5.361 4.170 0.384 0.000 0.306 284 I C -0.349 175.703 176.117 -0.109 0.000 1.110 284 I CA -0.986 60.239 61.300 -0.125 0.000 1.019 284 I CB 2.571 40.505 38.000 -0.109 0.000 1.227 284 I HN 0.544 nan 8.210 nan 0.000 0.434 285 S N 2.286 117.975 115.700 -0.019 0.000 2.595 285 S HA 0.969 5.669 4.470 0.384 0.000 0.281 285 S C -0.565 174.078 174.600 0.072 0.000 1.117 285 S CA -0.430 57.794 58.200 0.040 0.000 0.873 285 S CB 1.727 64.932 63.200 0.008 0.000 1.108 285 S HN 1.321 nan 8.310 nan 0.000 0.477 286 G N 0.169 109.017 108.800 0.079 0.000 2.719 286 G HA2 0.613 4.803 3.960 0.384 0.000 0.298 286 G HA3 0.613 4.803 3.960 0.384 0.000 0.298 286 G C -1.771 172.865 174.900 -0.440 0.000 1.411 286 G CA -0.713 44.293 45.100 -0.156 0.000 0.991 286 G HN 1.000 nan 8.290 nan 0.000 0.509 287 V N 1.647 121.100 119.914 -0.768 0.000 2.531 287 V HA 0.616 4.966 4.120 0.384 0.000 0.301 287 V C -1.364 174.290 176.094 -0.733 0.000 1.034 287 V CA -0.777 61.212 62.300 -0.518 0.000 0.865 287 V CB 1.174 32.872 31.823 -0.210 0.000 0.995 287 V HN 0.707 nan 8.190 nan 0.000 0.424 288 Y N 1.619 121.958 120.300 0.064 0.000 2.386 288 Y HA 0.419 5.197 4.550 0.381 0.000 0.334 288 Y C -0.161 175.763 175.900 0.039 0.000 1.002 288 Y CA -0.873 57.265 58.100 0.064 0.000 1.068 288 Y CB 1.718 40.239 38.460 0.102 0.000 1.203 288 Y HN 0.576 nan 8.280 nan 0.000 0.443 289 D N 3.998 124.482 120.400 0.140 0.000 2.339 289 D HA 0.182 5.052 4.640 0.384 0.000 0.241 289 D C 0.308 176.644 176.300 0.060 0.000 1.183 289 D CA 0.197 54.232 54.000 0.057 0.000 0.859 289 D CB 1.138 41.947 40.800 0.015 0.000 1.067 289 D HN 0.745 nan 8.370 nan 0.000 0.484 290 L N 3.264 124.513 121.223 0.043 0.000 2.567 290 L HA 0.144 4.714 4.340 0.384 0.000 0.225 290 L C 2.384 179.246 176.870 -0.014 0.000 1.119 290 L CA 0.080 54.946 54.840 0.043 0.000 0.871 290 L CB 0.129 42.236 42.059 0.080 0.000 1.036 290 L HN 0.473 nan 8.230 nan 0.000 0.459 291 G N 0.627 109.355 108.800 -0.121 0.000 2.491 291 G HA2 -0.316 3.874 3.960 0.384 0.000 0.218 291 G HA3 -0.316 3.874 3.960 0.384 0.000 0.218 291 G C 1.060 175.771 174.900 -0.315 0.000 1.180 291 G CA 1.107 45.961 45.100 -0.410 0.000 0.774 291 G HN 0.267 nan 8.290 nan 0.000 0.562 292 D N 0.028 120.318 120.400 -0.184 0.000 2.106 292 D HA -0.114 4.756 4.640 0.384 0.000 0.191 292 D C 2.817 179.075 176.300 -0.070 0.000 0.997 292 D CA 1.203 55.138 54.000 -0.109 0.000 0.834 292 D CB -0.729 40.036 40.800 -0.059 0.000 0.956 292 D HN 0.187 nan 8.370 nan 0.000 0.448 293 V N 0.851 120.734 119.914 -0.053 0.000 2.332 293 V HA -0.226 4.125 4.120 0.384 0.000 0.248 293 V C 2.644 178.673 176.094 -0.108 0.000 1.055 293 V CA 1.239 63.495 62.300 -0.073 0.000 1.038 293 V CB -0.517 31.275 31.823 -0.052 0.000 0.651 293 V HN 0.206 nan 8.190 nan 0.000 0.450 294 L N -0.486 120.730 121.223 -0.011 0.000 2.056 294 L HA -0.177 4.394 4.340 0.384 0.000 0.207 294 L C 2.619 179.541 176.870 0.088 0.000 1.078 294 L CA 1.648 56.539 54.840 0.085 0.000 0.749 294 L CB -0.638 41.566 42.059 0.240 0.000 0.901 294 L HN 0.371 nan 8.230 nan 0.000 0.433 295 E N 0.072 120.318 120.200 0.076 0.000 2.085 295 E HA -0.245 4.335 4.350 0.384 0.000 0.194 295 E C 2.054 178.663 176.600 0.014 0.000 0.994 295 E CA 1.250 57.694 56.400 0.073 0.000 0.801 295 E CB -0.057 29.654 29.700 0.019 0.000 0.743 295 E HN 0.518 nan 8.360 nan 0.000 0.453 296 E N 0.089 120.262 120.200 -0.046 0.000 2.204 296 E HA -0.153 4.427 4.350 0.384 0.000 0.195 296 E C 1.716 178.227 176.600 -0.149 0.000 0.990 296 E CA 0.852 57.209 56.400 -0.072 0.000 0.821 296 E CB -0.054 29.604 29.700 -0.071 0.000 0.750 296 E HN 0.322 nan 8.360 nan 0.000 0.477 297 M N -0.752 118.718 119.600 -0.217 0.000 2.561 297 M HA 0.109 4.820 4.480 0.384 0.000 0.238 297 M C 0.953 177.249 176.300 -0.007 0.000 1.131 297 M CA 0.496 55.694 55.300 -0.171 0.000 1.046 297 M CB 0.853 33.349 32.600 -0.173 0.000 1.532 297 M HN 0.238 nan 8.290 nan 0.000 0.497 298 G N 1.619 110.431 108.800 0.019 0.000 2.132 298 G HA2 -0.222 3.968 3.960 0.384 0.000 0.234 298 G HA3 -0.222 3.968 3.960 0.384 0.000 0.234 298 G C 0.020 174.960 174.900 0.067 0.000 0.989 298 G CA -0.449 44.681 45.100 0.050 0.000 0.676 298 G HN 0.489 nan 8.290 nan 0.000 0.522 299 I N 0.925 121.552 120.570 0.095 0.000 2.313 299 I HA 0.561 4.961 4.170 0.384 0.000 0.286 299 I C 1.123 177.362 176.117 0.205 0.000 1.091 299 I CA 0.249 61.614 61.300 0.109 0.000 1.216 299 I CB 0.935 39.006 38.000 0.118 0.000 1.434 299 I HN 0.190 nan 8.210 nan 0.000 0.487 300 A N 2.900 125.815 122.820 0.158 0.000 1.977 300 A HA 0.090 4.640 4.320 0.384 0.000 0.197 300 A C 1.624 179.318 177.584 0.183 0.000 1.554 300 A CA 0.060 52.247 52.037 0.249 0.000 1.037 300 A CB 0.052 19.153 19.000 0.169 0.000 1.083 300 A HN 0.466 nan 8.150 nan 0.000 0.471 301 D N 1.243 121.686 120.400 0.072 0.000 2.133 301 D HA -0.185 4.685 4.640 0.384 0.000 0.195 301 D C 1.856 178.129 176.300 -0.046 0.000 0.997 301 D CA 1.396 55.411 54.000 0.025 0.000 0.840 301 D CB -0.395 40.411 40.800 0.010 0.000 0.947 301 D HN 0.482 nan 8.370 nan 0.000 0.452 302 L N -0.805 120.297 121.223 -0.202 0.000 2.197 302 L HA -0.185 4.386 4.340 0.384 0.000 0.215 302 L C 1.876 178.639 176.870 -0.179 0.000 1.095 302 L CA 1.033 55.709 54.840 -0.274 0.000 0.764 302 L CB -0.566 41.136 42.059 -0.595 0.000 0.897 302 L HN 0.038 nan 8.230 nan 0.000 0.436 303 F N -0.640 119.386 119.950 0.126 0.000 2.749 303 F HA 0.059 5.060 4.527 0.790 0.000 0.300 303 F C 1.675 177.520 175.800 0.075 0.000 1.103 303 F CA -0.255 57.803 58.000 0.096 0.000 1.342 303 F CB -0.047 38.991 39.000 0.064 0.000 1.098 303 F HN 0.022 nan 8.300 nan 0.000 0.586 304 T N -3.250 111.423 114.554 0.199 0.000 2.912 304 T HA 0.160 4.740 4.350 0.384 0.000 0.280 304 T C 1.044 175.805 174.700 0.101 0.000 0.989 304 T CA -0.482 61.699 62.100 0.134 0.000 0.995 304 T CB 1.462 70.389 68.868 0.099 0.000 1.077 304 T HN -0.082 nan 8.240 nan 0.000 0.531 305 T N 1.162 115.760 114.554 0.073 0.000 3.215 305 T HA 0.056 4.637 4.350 0.384 0.000 0.254 305 T C 1.061 175.789 174.700 0.046 0.000 1.149 305 T CA 0.558 62.692 62.100 0.057 0.000 1.042 305 T CB -0.231 68.661 68.868 0.041 0.000 0.966 305 T HN 0.548 nan 8.240 nan 0.000 0.534 306 Q N 0.494 120.321 119.800 0.044 0.000 2.217 306 Q HA 0.478 5.048 4.340 0.384 0.000 0.217 306 Q C 0.828 176.839 176.000 0.018 0.000 0.844 306 Q CA -0.200 55.618 55.803 0.024 0.000 0.957 306 Q CB 0.309 29.052 28.738 0.009 0.000 1.127 306 Q HN 0.457 nan 8.270 nan 0.000 0.503 307 A N 1.901 124.746 122.820 0.043 0.000 2.591 307 A HA -0.053 4.498 4.320 0.384 0.000 0.244 307 A C 0.198 177.761 177.584 -0.034 0.000 1.031 307 A CA 0.241 52.283 52.037 0.009 0.000 0.767 307 A CB -0.103 19.013 19.000 0.193 0.000 0.942 307 A HN 0.230 nan 8.150 nan 0.000 0.514 308 N N 2.541 121.109 118.700 -0.220 0.000 2.678 308 N HA 0.305 5.276 4.740 0.384 0.000 0.231 308 N C -1.159 174.133 175.510 -0.363 0.000 1.038 308 N CA -0.164 52.771 53.050 -0.192 0.000 0.932 308 N CB -0.163 38.237 38.487 -0.145 0.000 1.176 308 N HN 0.490 nan 8.380 nan 0.000 0.511 309 F N 0.961 120.858 119.950 -0.090 0.000 2.925 309 F HA 0.118 4.396 4.527 -0.415 0.000 0.302 309 F C 1.973 177.684 175.800 -0.147 0.000 1.189 309 F CA -0.355 57.564 58.000 -0.134 0.000 1.346 309 F CB 0.237 39.149 39.000 -0.147 0.000 0.954 309 F HN 0.401 nan 8.300 nan 0.000 0.506 310 S N -0.919 114.775 115.700 -0.010 0.000 2.481 310 S HA -0.099 4.601 4.470 0.384 0.000 0.231 310 S C 1.933 176.505 174.600 -0.048 0.000 0.996 310 S CA 0.511 58.697 58.200 -0.023 0.000 0.942 310 S CB -0.165 63.020 63.200 -0.024 0.000 0.768 310 S HN 0.463 nan 8.310 nan 0.000 0.520 311 R N 0.175 120.630 120.500 -0.075 0.000 2.246 311 R HA 0.383 4.953 4.340 0.384 0.000 0.199 311 R C 1.828 177.997 176.300 -0.218 0.000 0.984 311 R CA 0.587 56.642 56.100 -0.075 0.000 1.015 311 R CB -0.235 30.055 30.300 -0.015 0.000 0.930 311 R HN 0.466 nan 8.270 nan 0.000 0.475 312 I N -0.830 119.496 120.570 -0.408 0.000 2.233 312 I HA -0.102 4.298 4.170 0.384 0.000 0.243 312 I C 1.031 176.957 176.117 -0.318 0.000 1.093 312 I CA 0.975 61.809 61.300 -0.776 0.000 1.380 312 I CB 0.163 37.748 38.000 -0.692 0.000 1.067 312 I HN 0.017 nan 8.210 nan 0.000 0.413 313 T N -0.982 113.475 114.554 -0.162 0.000 2.886 313 T HA 0.214 4.794 4.350 0.384 0.000 0.330 313 T C -0.625 174.051 174.700 -0.039 0.000 1.488 313 T CA -0.665 61.392 62.100 -0.070 0.000 1.054 313 T CB 1.630 70.461 68.868 -0.062 0.000 1.348 313 T HN 0.355 nan 8.240 nan 0.000 0.489 314 Q N 1.149 120.940 119.800 -0.016 0.000 2.194 314 Q HA 0.327 4.898 4.340 0.384 0.000 0.214 314 Q C 0.022 176.020 176.000 -0.003 0.000 0.838 314 Q CA -0.192 55.606 55.803 -0.008 0.000 0.972 314 Q CB 0.425 29.162 28.738 -0.002 0.000 1.131 314 Q HN 0.429 nan 8.270 nan 0.000 0.498 315 D N 1.521 121.918 120.400 -0.004 0.000 2.317 315 D HA 0.188 5.058 4.640 0.384 0.000 0.211 315 D C 0.028 176.327 176.300 -0.001 0.000 0.966 315 D CA 0.906 54.907 54.000 0.001 0.000 0.876 315 D CB 0.682 41.486 40.800 0.007 0.000 0.927 315 D HN 0.454 nan 8.370 nan 0.000 0.519 316 A N -0.235 122.580 122.820 -0.008 0.000 2.605 316 A HA 0.431 4.981 4.320 0.384 0.000 0.294 316 A C -1.263 176.315 177.584 -0.010 0.000 1.062 316 A CA -0.750 51.281 52.037 -0.010 0.000 0.682 316 A CB 1.069 20.060 19.000 -0.016 0.000 1.278 316 A HN -0.089 nan 8.150 nan 0.000 0.410 317 Q N 0.784 120.584 119.800 -0.000 0.000 2.274 317 Q HA 0.548 5.118 4.340 0.384 0.000 0.256 317 Q C -1.052 174.954 176.000 0.010 0.000 0.927 317 Q CA -0.470 55.343 55.803 0.016 0.000 0.939 317 Q CB 1.372 30.123 28.738 0.023 0.000 1.201 317 Q HN 0.517 nan 8.270 nan 0.000 0.426 318 L N 2.902 124.139 121.223 0.023 0.000 2.313 318 L HA 0.573 5.143 4.340 0.384 0.000 0.268 318 L C -0.282 176.605 176.870 0.028 0.000 1.010 318 L CA -0.344 54.456 54.840 -0.066 0.000 0.814 318 L CB 1.585 43.481 42.059 -0.272 0.000 1.304 318 L HN 0.612 nan 8.230 nan 0.000 0.441 319 K N -1.161 119.188 120.400 -0.086 0.000 2.533 319 K HA 0.638 5.189 4.320 0.384 0.000 0.272 319 K C -1.047 175.470 176.600 -0.138 0.000 0.985 319 K CA -0.640 55.658 56.287 0.018 0.000 0.876 319 K CB 1.677 34.245 32.500 0.114 0.000 1.452 319 K HN 0.326 nan 8.250 nan 0.000 0.439 320 S N 0.172 115.848 115.700 -0.040 0.000 2.513 320 S HA 0.127 4.828 4.470 0.384 0.000 0.276 320 S C 0.695 175.424 174.600 0.216 0.000 1.254 320 S CA -0.021 58.176 58.200 -0.005 0.000 1.053 320 S CB 0.684 63.843 63.200 -0.068 0.000 0.958 320 S HN 0.728 nan 8.310 nan 0.000 0.491 321 S N 4.058 119.864 115.700 0.177 0.000 2.502 321 S HA 0.361 5.061 4.470 0.384 0.000 0.228 321 S C 0.327 175.038 174.600 0.187 0.000 1.061 321 S CA -0.250 58.057 58.200 0.178 0.000 0.935 321 S CB -0.078 63.182 63.200 0.099 0.000 0.809 321 S HN 0.692 nan 8.310 nan 0.000 0.510 322 K N 0.440 120.965 120.400 0.209 0.000 2.525 322 K HA 0.629 5.180 4.320 0.384 0.000 0.254 322 K C -2.247 174.400 176.600 0.078 0.000 0.934 322 K CA -0.630 55.742 56.287 0.142 0.000 0.802 322 K CB 2.496 35.107 32.500 0.185 0.000 1.295 322 K HN 0.088 nan 8.250 nan 0.000 0.433 323 V N 3.784 123.681 119.914 -0.028 0.000 2.482 323 V HA 0.500 4.850 4.120 0.384 0.000 0.295 323 V C -1.035 174.918 176.094 -0.235 0.000 1.026 323 V CA -0.835 61.399 62.300 -0.111 0.000 0.856 323 V CB 1.662 33.556 31.823 0.119 0.000 1.001 323 V HN 0.508 nan 8.190 nan 0.000 0.424 324 V N 3.715 123.327 119.914 -0.504 0.000 2.709 324 V HA 0.550 4.901 4.120 0.384 0.000 0.308 324 V C -1.114 174.966 176.094 -0.023 0.000 1.062 324 V CA -0.678 61.446 62.300 -0.293 0.000 0.901 324 V CB 2.247 33.822 31.823 -0.415 0.000 1.003 324 V HN 0.970 nan 8.190 nan 0.000 0.425 325 H N 3.501 122.612 119.070 0.069 0.000 2.538 325 H HA 0.709 5.496 4.556 0.385 0.000 0.353 325 H C -0.769 174.705 175.328 0.242 0.000 1.109 325 H CA -0.602 55.555 56.048 0.182 0.000 1.192 325 H CB 1.690 31.578 29.762 0.211 0.000 1.555 325 H HN 0.652 nan 8.280 nan 0.000 0.518 326 K N 3.400 123.692 120.400 -0.180 0.000 2.422 326 K HA 0.804 5.354 4.320 0.384 0.000 0.251 326 K C -1.886 174.590 176.600 -0.208 0.000 0.933 326 K CA -0.845 55.357 56.287 -0.142 0.000 0.798 326 K CB 1.629 34.144 32.500 0.024 0.000 1.238 326 K HN 0.693 nan 8.250 nan 0.000 0.428 327 A N 2.016 124.833 122.820 -0.006 0.000 2.572 327 A HA 0.701 5.251 4.320 0.384 0.000 0.295 327 A C -1.428 176.386 177.584 0.384 0.000 1.072 327 A CA -0.670 51.507 52.037 0.232 0.000 0.691 327 A CB 1.618 20.772 19.000 0.257 0.000 1.291 327 A HN 0.604 nan 8.150 nan 0.000 0.404 328 V N -0.619 119.523 119.914 0.379 0.000 2.841 328 V HA 0.898 5.249 4.120 0.384 0.000 0.310 328 V C -1.228 174.768 176.094 -0.163 0.000 1.090 328 V CA -0.763 61.596 62.300 0.099 0.000 0.930 328 V CB 1.304 33.163 31.823 0.060 0.000 1.014 328 V HN 1.526 nan 8.190 nan 0.000 0.425 329 L N 3.112 124.001 121.223 -0.556 0.000 2.386 329 L HA 0.764 5.335 4.340 0.384 0.000 0.271 329 L C -0.601 176.058 176.870 -0.352 0.000 0.993 329 L CA -0.022 54.379 54.840 -0.732 0.000 0.819 329 L CB 2.236 43.401 42.059 -1.490 0.000 1.294 329 L HN 0.924 nan 8.230 nan 0.000 0.414 330 Q N 5.202 124.868 119.800 -0.224 0.000 2.292 330 Q HA 0.602 5.172 4.340 0.384 0.000 0.270 330 Q C -1.607 174.366 176.000 -0.045 0.000 1.024 330 Q CA -0.498 55.239 55.803 -0.111 0.000 0.768 330 Q CB 2.562 31.254 28.738 -0.077 0.000 1.250 330 Q HN 0.609 nan 8.270 nan 0.000 0.447 331 L N 3.288 124.526 121.223 0.025 0.000 2.322 331 L HA 0.564 5.134 4.340 0.384 0.000 0.281 331 L C -0.374 176.560 176.870 0.106 0.000 1.014 331 L CA -0.722 54.206 54.840 0.146 0.000 0.815 331 L CB 1.061 43.269 42.059 0.249 0.000 1.247 331 L HN 0.715 nan 8.230 nan 0.000 0.421 332 N N 0.610 119.408 118.700 0.164 0.000 3.229 332 N HA 0.239 5.210 4.740 0.384 0.000 0.315 332 N C 0.088 175.767 175.510 0.282 0.000 1.520 332 N CA -0.867 52.260 53.050 0.128 0.000 0.769 332 N CB 0.609 39.141 38.487 0.075 0.000 1.766 332 N HN 0.289 nan 8.380 nan 0.000 0.618 333 E N -0.585 119.742 120.200 0.212 0.000 2.268 333 E HA -0.051 4.529 4.350 0.384 0.000 0.195 333 E C 0.472 177.403 176.600 0.552 0.000 0.995 333 E CA 1.170 57.773 56.400 0.339 0.000 0.836 333 E CB -0.016 29.804 29.700 0.200 0.000 0.763 333 E HN 0.605 nan 8.360 nan 0.000 0.491 334 E N -0.825 119.607 120.200 0.387 0.000 2.276 334 E HA 0.254 4.834 4.350 0.384 0.000 0.193 334 E C 0.770 177.428 176.600 0.097 0.000 0.983 334 E CA 0.673 57.241 56.400 0.281 0.000 0.861 334 E CB 0.848 30.615 29.700 0.113 0.000 0.817 334 E HN 0.215 nan 8.360 nan 0.000 0.485 335 G N -1.334 107.382 108.800 -0.140 0.000 2.399 335 G HA2 0.241 4.431 3.960 0.384 0.000 0.256 335 G HA3 0.241 4.431 3.960 0.384 0.000 0.256 335 G C -1.122 173.492 174.900 -0.476 0.000 1.236 335 G CA -0.458 44.130 45.100 -0.854 0.000 0.914 335 G HN -0.093 nan 8.290 nan 0.000 0.482 336 T N 1.061 115.333 114.554 -0.470 0.000 2.921 336 T HA 0.648 5.228 4.350 0.384 0.000 0.297 336 T C -1.154 173.337 174.700 -0.348 0.000 1.013 336 T CA -0.429 61.520 62.100 -0.251 0.000 0.990 336 T CB 2.102 70.930 68.868 -0.068 0.000 1.023 336 T HN 0.471 nan 8.240 nan 0.000 0.447 337 E N 1.244 121.294 120.200 -0.250 0.000 2.210 337 E HA 0.705 5.285 4.350 0.384 0.000 0.266 337 E C -1.002 175.437 176.600 -0.268 0.000 0.883 337 E CA -0.888 55.323 56.400 -0.315 0.000 0.761 337 E CB 2.009 31.596 29.700 -0.189 0.000 1.156 337 E HN 0.716 nan 8.360 nan 0.000 0.412 338 A N 1.929 124.541 122.820 -0.347 0.000 2.486 338 A HA 0.870 5.420 4.320 0.384 0.000 0.300 338 A C -1.452 176.022 177.584 -0.184 0.000 1.048 338 A CA -0.446 51.349 52.037 -0.403 0.000 0.696 338 A CB 1.772 20.170 19.000 -1.004 0.000 1.278 338 A HN 0.588 nan 8.150 nan 0.000 0.405 339 A N 0.493 123.391 122.820 0.130 0.000 2.539 339 A HA 0.981 5.531 4.320 0.384 0.000 0.296 339 A C -0.173 177.704 177.584 0.488 0.000 1.073 339 A CA -0.110 52.172 52.037 0.410 0.000 0.700 339 A CB 1.761 21.031 19.000 0.450 0.000 1.296 339 A HN 2.341 nan 8.150 nan 0.000 0.405 340 G N -0.907 108.198 108.800 0.509 0.000 2.690 340 G HA2 0.866 5.056 3.960 0.384 0.000 0.293 340 G HA3 0.866 5.056 3.960 0.384 0.000 0.293 340 G C -0.936 174.203 174.900 0.397 0.000 1.399 340 G CA 0.156 45.506 45.100 0.416 0.000 0.890 340 G HN 1.973 nan 8.290 nan 0.000 0.485 341 A N 1.039 124.063 122.820 0.339 0.000 2.572 341 A HA 0.870 5.420 4.320 0.384 0.000 0.295 341 A C -0.964 176.896 177.584 0.461 0.000 1.072 341 A CA -0.570 51.707 52.037 0.400 0.000 0.691 341 A CB 2.022 21.241 19.000 0.365 0.000 1.291 341 A HN 0.775 nan 8.150 nan 0.000 0.404 342 M N 1.833 121.691 119.600 0.430 0.000 2.457 342 M HA 0.675 5.385 4.480 0.384 0.000 0.300 342 M C -1.894 174.632 176.300 0.376 0.000 1.141 342 M CA -0.666 54.854 55.300 0.367 0.000 0.901 342 M CB 2.009 34.760 32.600 0.252 0.000 1.687 342 M HN 0.856 nan 8.290 nan 0.000 0.449 343 F N 3.210 123.310 119.950 0.251 0.000 2.556 343 F HA 0.774 5.531 4.527 0.384 0.000 0.314 343 F C -2.340 173.585 175.800 0.207 0.000 1.106 343 F CA -1.046 57.091 58.000 0.228 0.000 0.911 343 F CB 1.002 40.163 39.000 0.270 0.000 1.190 343 F HN 0.367 nan 8.300 nan 0.000 0.448 344 L N 3.957 125.378 121.223 0.330 0.000 2.305 344 L HA 0.489 5.060 4.340 0.384 0.000 0.284 344 L C -0.286 176.784 176.870 0.333 0.000 1.013 344 L CA -0.560 54.415 54.840 0.224 0.000 0.819 344 L CB 1.674 43.809 42.059 0.126 0.000 1.227 344 L HN 0.687 nan 8.230 nan 0.000 0.417 345 E N 2.140 122.556 120.200 0.361 0.000 2.231 345 E HA 0.693 5.274 4.350 0.384 0.000 0.277 345 E C -0.741 175.903 176.600 0.074 0.000 0.999 345 E CA -0.585 55.981 56.400 0.277 0.000 0.827 345 E CB 2.155 32.078 29.700 0.371 0.000 1.101 345 E HN 0.662 nan 8.360 nan 0.000 0.393 346 A N 3.495 126.289 122.820 -0.044 0.000 2.365 346 A HA 0.715 5.265 4.320 0.384 0.000 0.318 346 A C -0.571 176.938 177.584 -0.126 0.000 1.091 346 A CA -0.702 51.239 52.037 -0.161 0.000 0.763 346 A CB 0.605 19.406 19.000 -0.332 0.000 1.248 346 A HN 0.619 nan 8.150 nan 0.000 0.442 347 I N -1.059 119.447 120.570 -0.107 0.000 2.934 347 I HA 0.710 5.110 4.170 0.384 0.000 0.306 347 I C -2.968 173.109 176.117 -0.066 0.000 1.110 347 I CA -3.056 58.202 61.300 -0.071 0.000 1.019 347 I CB 2.213 40.193 38.000 -0.033 0.000 1.227 347 I HN 0.250 nan 8.210 nan 0.000 0.434 348 P HA 0.173 nan 4.420 nan 0.000 0.268 348 P C -0.894 176.398 177.300 -0.012 0.000 1.208 348 P CA -0.080 63.003 63.100 -0.028 0.000 0.777 348 P CB 0.516 32.206 31.700 -0.018 0.000 0.875 352 P HA 0.090 nan 4.420 nan 0.000 0.268 352 P C -0.292 176.958 177.300 -0.084 0.000 1.208 352 P CA -0.021 63.036 63.100 -0.072 0.000 0.777 352 P CB 0.372 32.028 31.700 -0.073 0.000 0.875 353 I N 1.870 122.354 120.570 -0.144 0.000 2.598 353 I HA 0.007 4.408 4.170 0.384 0.000 0.284 353 I C 0.832 176.867 176.117 -0.137 0.000 1.140 353 I CA 0.099 61.284 61.300 -0.191 0.000 1.420 353 I CB -0.115 37.628 38.000 -0.428 0.000 1.387 353 I HN 0.180 nan 8.210 nan 0.000 0.553 354 I N 7.497 128.029 120.570 -0.064 0.000 2.325 354 I HA 0.187 4.587 4.170 0.384 0.000 0.291 354 I C -0.441 175.680 176.117 0.006 0.000 1.019 354 I CA -0.305 61.010 61.300 0.024 0.000 1.302 354 I CB 1.054 39.084 38.000 0.050 0.000 1.401 354 I HN 0.362 nan 8.210 nan 0.000 0.485 355 L N 8.156 129.421 121.223 0.069 0.000 2.342 355 L HA 0.475 5.046 4.340 0.384 0.000 0.276 355 L C -0.503 176.419 176.870 0.087 0.000 0.997 355 L CA -0.265 54.594 54.840 0.033 0.000 0.838 355 L CB 1.021 43.145 42.059 0.108 0.000 1.224 355 L HN 0.518 nan 8.230 nan 0.000 0.416 356 R N 4.378 124.825 120.500 -0.088 0.000 2.310 356 R HA 0.388 4.958 4.340 0.384 0.000 0.324 356 R C -1.245 174.929 176.300 -0.210 0.000 0.955 356 R CA -0.498 55.566 56.100 -0.060 0.000 0.830 356 R CB 0.620 30.805 30.300 -0.191 0.000 1.154 356 R HN 0.552 nan 8.270 nan 0.000 0.458 357 F N 4.880 124.736 119.950 -0.157 0.000 2.606 357 F HA 0.150 4.907 4.527 0.384 0.000 0.347 357 F C 0.789 176.473 175.800 -0.195 0.000 1.207 357 F CA -0.531 57.283 58.000 -0.310 0.000 1.306 357 F CB 0.314 38.888 39.000 -0.710 0.000 1.657 357 F HN 0.509 nan 8.300 nan 0.000 0.606 358 N N 1.294 119.914 118.700 -0.133 0.000 2.380 358 N HA 0.095 5.065 4.740 0.384 0.000 0.255 358 N C -0.458 174.564 175.510 -0.814 0.000 1.158 358 N CA -0.217 52.660 53.050 -0.290 0.000 0.878 358 N CB 0.050 38.471 38.487 -0.110 0.000 1.138 358 N HN 0.622 nan 8.380 nan 0.000 0.509 359 Q N -2.690 116.531 119.800 -0.965 0.000 2.829 359 Q HA 0.437 5.007 4.340 0.384 0.000 0.296 359 Q C -3.398 172.572 176.000 -0.050 0.000 0.893 359 Q CA -1.682 53.664 55.803 -0.761 0.000 0.772 359 Q CB 0.327 28.932 28.738 -0.222 0.000 1.489 359 Q HN -0.160 nan 8.270 nan 0.000 0.420 360 P HA 0.036 nan 4.420 nan 0.000 0.262 360 P C -1.234 176.354 177.300 0.480 0.000 1.182 360 P CA 0.655 63.998 63.100 0.404 0.000 0.761 360 P CB -0.073 31.779 31.700 0.253 0.000 0.795 361 F N 1.835 122.006 119.950 0.368 0.000 2.692 361 F HA 0.746 5.504 4.527 0.385 0.000 0.320 361 F C -1.216 174.820 175.800 0.394 0.000 1.123 361 F CA -1.589 56.650 58.000 0.399 0.000 0.961 361 F CB 0.767 40.136 39.000 0.616 0.000 1.383 361 F HN -0.014 nan 8.300 nan 0.000 0.483 362 I N 1.928 122.817 120.570 0.532 0.000 2.530 362 I HA 0.536 4.936 4.170 0.384 0.000 0.297 362 I C -0.896 175.474 176.117 0.422 0.000 1.011 362 I CA -0.730 60.794 61.300 0.374 0.000 1.107 362 I CB 2.074 40.291 38.000 0.362 0.000 1.285 362 I HN 0.466 nan 8.210 nan 0.000 0.436 363 I N 6.026 126.757 120.570 0.268 0.000 2.498 363 I HA 0.470 4.870 4.170 0.384 0.000 0.290 363 I C -0.845 175.355 176.117 0.137 0.000 1.032 363 I CA -0.529 60.874 61.300 0.172 0.000 1.073 363 I CB 1.810 39.914 38.000 0.173 0.000 1.251 363 I HN 0.375 nan 8.210 nan 0.000 0.426 364 M N 7.223 126.917 119.600 0.157 0.000 2.093 364 M HA 0.531 5.241 4.480 0.384 0.000 0.297 364 M C -0.992 175.413 176.300 0.176 0.000 0.938 364 M CA -0.356 55.037 55.300 0.154 0.000 0.920 364 M CB 2.172 35.002 32.600 0.384 0.000 1.517 364 M HN 0.371 nan 8.290 nan 0.000 0.427 365 I N 3.334 123.893 120.570 -0.017 0.000 2.315 365 I HA 0.460 4.860 4.170 0.384 0.000 0.291 365 I C -0.953 175.025 176.117 -0.232 0.000 1.006 365 I CA -0.228 61.086 61.300 0.023 0.000 1.265 365 I CB 0.773 38.815 38.000 0.071 0.000 1.387 365 I HN 0.520 nan 8.210 nan 0.000 0.475 366 F N 3.314 123.296 119.950 0.053 0.000 2.538 366 F HA 0.290 5.047 4.527 0.384 0.000 0.325 366 F C 0.256 175.960 175.800 -0.160 0.000 1.066 366 F CA -0.818 57.155 58.000 -0.044 0.000 0.946 366 F CB 1.410 40.419 39.000 0.015 0.000 1.199 366 F HN 0.360 nan 8.300 nan 0.000 0.473 367 D N 1.055 121.475 120.400 0.034 0.000 2.325 367 D HA 0.051 4.922 4.640 0.384 0.000 0.251 367 D C 1.051 177.274 176.300 -0.129 0.000 1.196 367 D CA 0.345 54.373 54.000 0.047 0.000 0.866 367 D CB 0.423 41.359 40.800 0.227 0.000 1.101 367 D HN 0.457 nan 8.370 nan 0.000 0.476 368 H N 3.843 122.764 119.070 -0.247 0.000 2.387 368 H HA -0.170 4.617 4.556 0.384 0.000 0.299 368 H C 1.317 176.433 175.328 -0.353 0.000 1.090 368 H CA 1.097 56.819 56.048 -0.543 0.000 1.332 368 H CB -0.040 29.587 29.762 -0.224 0.000 1.386 368 H HN 0.600 nan 8.280 nan 0.000 0.516 369 F N 1.003 120.956 119.950 0.006 0.000 2.146 369 F HA -0.166 4.591 4.527 0.383 0.000 0.298 369 F C 2.445 178.290 175.800 0.075 0.000 1.096 369 F CA 2.070 60.104 58.000 0.057 0.000 1.275 369 F CB -0.120 38.922 39.000 0.070 0.000 1.008 369 F HN 0.206 nan 8.300 nan 0.000 0.480 370 T N -6.046 108.702 114.554 0.324 0.000 3.044 370 T HA 0.006 4.586 4.350 0.384 0.000 0.260 370 T C 0.430 175.330 174.700 0.332 0.000 1.019 370 T CA 0.054 62.330 62.100 0.293 0.000 0.921 370 T CB -1.006 68.043 68.868 0.302 0.000 1.053 370 T HN 0.440 nan 8.240 nan 0.000 0.533 371 W N 2.467 123.900 121.300 0.221 0.000 5.692 371 W HA -0.231 4.658 4.660 0.382 0.000 0.371 371 W C -0.133 176.571 176.519 0.308 0.000 1.354 371 W CA 0.089 57.557 57.345 0.206 0.000 0.955 371 W CB -2.319 27.165 29.460 0.040 0.000 2.465 371 W HN 0.214 nan 8.180 nan 0.000 1.554 372 S N 0.204 116.161 115.700 0.428 0.000 2.549 372 S HA 0.225 4.926 4.470 0.384 0.000 0.279 372 S C 0.561 175.251 174.600 0.150 0.000 1.321 372 S CA -0.433 57.943 58.200 0.293 0.000 1.054 372 S CB 1.523 64.922 63.200 0.333 0.000 0.899 372 S HN 0.183 nan 8.310 nan 0.000 0.497 373 S N 3.452 119.108 115.700 -0.073 0.000 2.423 373 S HA 0.216 4.916 4.470 0.384 0.000 0.302 373 S C 1.123 175.423 174.600 -0.501 0.000 1.143 373 S CA -0.706 57.177 58.200 -0.529 0.000 1.080 373 S CB -0.584 62.282 63.200 -0.558 0.000 1.081 373 S HN 0.622 nan 8.310 nan 0.000 0.522 374 L N 4.339 125.199 121.223 -0.605 0.000 2.068 374 L HA 0.241 4.811 4.340 0.384 0.000 0.204 374 L C -0.180 175.997 176.870 -1.155 0.000 1.076 374 L CA 0.852 55.200 54.840 -0.819 0.000 0.753 374 L CB -0.110 41.483 42.059 -0.778 0.000 0.910 374 L HN 0.542 nan 8.230 nan 0.000 0.439 375 F N -1.075 118.633 119.950 -0.404 0.000 2.619 375 F HA 0.563 5.322 4.527 0.386 0.000 0.308 375 F C -0.594 174.994 175.800 -0.353 0.000 1.097 375 F CA -0.605 57.162 58.000 -0.389 0.000 0.953 375 F CB 1.802 40.643 39.000 -0.266 0.000 1.287 375 F HN -0.313 nan 8.300 nan 0.000 0.446 376 L N 2.448 123.554 121.223 -0.195 0.000 2.385 376 L HA 0.895 5.465 4.340 0.384 0.000 0.273 376 L C -0.725 176.187 176.870 0.069 0.000 0.990 376 L CA -0.881 53.875 54.840 -0.141 0.000 0.821 376 L CB 2.044 43.901 42.059 -0.337 0.000 1.279 376 L HN 0.794 nan 8.230 nan 0.000 0.412 377 A N 3.183 126.158 122.820 0.257 0.000 2.374 377 A HA 0.759 5.310 4.320 0.384 0.000 0.317 377 A C -0.908 176.919 177.584 0.406 0.000 1.094 377 A CA -0.661 51.642 52.037 0.443 0.000 0.765 377 A CB 1.746 21.025 19.000 0.464 0.000 1.268 377 A HN 0.761 nan 8.150 nan 0.000 0.438 378 R N 2.266 122.997 120.500 0.384 0.000 2.275 378 R HA 0.512 5.083 4.340 0.384 0.000 0.326 378 R C -1.650 174.701 176.300 0.085 0.000 0.973 378 R CA -0.297 55.945 56.100 0.238 0.000 0.854 378 R CB 0.966 31.376 30.300 0.184 0.000 1.156 378 R HN 0.479 nan 8.270 nan 0.000 0.487 379 V N 7.042 126.894 119.914 -0.105 0.000 2.339 379 V HA 0.093 4.443 4.120 0.384 0.000 0.261 379 V C 1.002 177.097 176.094 0.002 0.000 1.058 379 V CA -0.204 61.972 62.300 -0.207 0.000 0.897 379 V CB 1.228 32.608 31.823 -0.737 0.000 1.052 379 V HN 0.851 nan 8.190 nan 0.000 0.480 380 M N 2.276 121.917 119.600 0.068 0.000 2.552 380 M HA 0.243 4.954 4.480 0.384 0.000 0.264 380 M C 0.652 177.060 176.300 0.180 0.000 1.159 380 M CA 0.769 56.167 55.300 0.164 0.000 1.176 380 M CB -0.361 32.308 32.600 0.115 0.000 1.327 380 M HN 0.652 nan 8.290 nan 0.000 0.481 381 N N 1.027 119.718 118.700 -0.015 0.000 2.549 381 N HA 0.257 5.227 4.740 0.384 0.000 0.290 381 N C -2.510 172.819 175.510 -0.300 0.000 1.122 381 N CA -1.299 51.641 53.050 -0.183 0.000 0.885 381 N CB 2.204 40.658 38.487 -0.054 0.000 1.455 381 N HN -0.147 nan 8.380 nan 0.000 0.521 382 P HA 0.039 nan 4.420 nan 0.000 0.245 382 P C 0.321 177.492 177.300 -0.215 0.000 1.212 382 P CA 0.210 63.098 63.100 -0.352 0.000 0.774 382 P CB 0.551 31.995 31.700 -0.428 0.000 0.999 383 V N 0.000 119.796 119.914 -0.196 0.000 2.409 383 V HA 0.000 4.350 4.120 0.384 0.000 0.244 383 V CA 0.000 62.229 62.300 -0.118 0.000 1.235 383 V CB 0.000 31.765 31.823 -0.097 0.000 1.184 383 V HN 0.000 nan 8.190 nan 0.000 0.556