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 1y6f_1_A DATA FIRST_RESID 998 DATA SEQUENCE MGSMRICIFM ARGLEGCGVT KFSLEQRDWF IKNGHEVTLV YAKDKSFTRT DATA SEQUENCE SSHDHKSFSI PVILAKEYDK ALKLVNDCDI LIINSVPATS VQEATINNYK DATA SEQUENCE KLLDNIKPSI RVVVYQHDHS VLSLRRNLGL EETVRRADVI FSHSDNGDFN DATA SEQUENCE KVLMKEWYPX XXXXXXXXEE APTVYNFQPP MDIVKVRSTY WKDVSEINMN DATA SEQUENCE INRWIGRTTT WKGFYQMFDF HEKFLKPAGK STVMEGLERS PAFIAIKEKG DATA SEQUENCE IPYEYYGNRE IDKMNLAPNQ PAQILDCYIN SEMLERMSKS GFGYQLSKLN DATA SEQUENCE QKYLQRSLEY THLELGACGT IPVFWKSTGE NLKFRVDNTP LTSHDSGIIW DATA SEQUENCE FDENDMESTF ERIKELSSDR ALYDREREKA YEFLYQHQDS SFCFKEQFDI DATA SEQUENCE ITK 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 998 M HA 0.000 nan 4.480 nan 0.000 0.227 998 M C 0.000 176.379 176.300 0.131 0.000 1.140 998 M CA 0.000 55.394 55.300 0.157 0.000 0.988 998 M CB 0.000 32.673 32.600 0.122 0.000 1.302 999 G N -0.373 108.528 108.800 0.168 0.000 2.404 999 G HA2 0.499 4.460 3.960 0.001 0.000 0.298 999 G HA3 0.499 4.460 3.960 0.001 0.000 0.298 999 G C -1.821 173.187 174.900 0.180 0.000 1.577 999 G CA -0.308 44.868 45.100 0.127 0.000 0.847 999 G HN 0.300 nan 8.290 nan 0.000 0.598 1000 S N 0.393 116.141 115.700 0.080 0.000 2.499 1000 S HA 0.716 5.186 4.470 0.001 0.000 0.275 1000 S C 0.505 175.246 174.600 0.235 0.000 1.257 1000 S CA -0.220 58.023 58.200 0.071 0.000 1.050 1000 S CB 0.142 63.297 63.200 -0.076 0.000 0.937 1000 S HN 0.488 nan 8.310 nan 0.000 0.490 1001 M N 3.270 123.173 119.600 0.506 0.000 2.821 1001 M HA 0.521 5.002 4.480 0.001 0.000 0.304 1001 M C -0.210 176.188 176.300 0.164 0.000 1.233 1001 M CA -0.877 54.577 55.300 0.258 0.000 0.851 1001 M CB 1.713 34.424 32.600 0.184 0.000 1.723 1001 M HN 0.579 nan 8.290 nan 0.000 0.493 1002 R N 1.255 121.784 120.500 0.049 0.000 2.338 1002 R HA 0.615 4.956 4.340 0.001 0.000 0.317 1002 R C -1.625 174.625 176.300 -0.083 0.000 0.968 1002 R CA -0.347 55.748 56.100 -0.007 0.000 0.849 1002 R CB 0.755 31.050 30.300 -0.009 0.000 1.128 1002 R HN 0.502 nan 8.270 nan 0.000 0.448 1003 I N 3.785 124.268 120.570 -0.146 0.000 2.474 1003 I HA 0.305 4.476 4.170 0.001 0.000 0.294 1003 I C -0.545 175.477 176.117 -0.159 0.000 1.005 1003 I CA -1.039 60.112 61.300 -0.249 0.000 1.113 1003 I CB 1.493 39.147 38.000 -0.576 0.000 1.289 1003 I HN 0.687 nan 8.210 nan 0.000 0.436 1004 C N 7.796 127.025 119.300 -0.118 0.000 2.322 1004 C HA 0.617 5.077 4.460 0.001 0.000 0.324 1004 C C -0.108 174.882 174.990 0.001 0.000 1.249 1004 C CA -0.455 58.528 59.018 -0.058 0.000 1.453 1004 C CB -0.470 27.230 27.740 -0.067 0.000 2.145 1004 C HN 0.632 nan 8.230 nan 0.000 0.466 1005 I N 6.334 126.929 120.570 0.042 0.000 2.304 1005 I HA 0.328 4.499 4.170 0.001 0.000 0.291 1005 I C -0.238 176.027 176.117 0.247 0.000 1.018 1005 I CA -0.034 61.338 61.300 0.119 0.000 1.260 1005 I CB 0.741 38.785 38.000 0.074 0.000 1.390 1005 I HN 0.618 nan 8.210 nan 0.000 0.475 1006 F N 7.407 127.409 119.950 0.087 0.000 2.467 1006 F HA 0.563 5.090 4.527 0.001 0.000 0.336 1006 F C -0.448 175.418 175.800 0.110 0.000 1.123 1006 F CA -1.053 57.010 58.000 0.105 0.000 0.964 1006 F CB 1.343 40.412 39.000 0.116 0.000 1.136 1006 F HN 0.333 nan 8.300 nan 0.000 0.447 1007 M N 6.790 126.461 119.600 0.118 0.000 2.027 1007 M HA 0.291 4.772 4.480 0.001 0.000 0.329 1007 M C 0.505 176.590 176.300 -0.358 0.000 0.971 1007 M CA -0.359 54.868 55.300 -0.121 0.000 0.933 1007 M CB 1.675 34.267 32.600 -0.013 0.000 1.392 1007 M HN 0.750 nan 8.290 nan 0.000 0.394 1008 A N 2.110 124.509 122.820 -0.702 0.000 2.119 1008 A HA -0.044 4.277 4.320 0.001 0.000 0.217 1008 A C 2.104 179.483 177.584 -0.342 0.000 1.153 1008 A CA 1.110 52.711 52.037 -0.728 0.000 0.692 1008 A CB -0.284 18.071 19.000 -1.074 0.000 0.799 1008 A HN 0.847 nan 8.150 nan 0.000 0.458 1009 R N -0.692 119.672 120.500 -0.227 0.000 2.153 1009 R HA 0.236 4.577 4.340 0.001 0.000 0.218 1009 R C 0.900 177.231 176.300 0.051 0.000 1.072 1009 R CA 0.990 57.040 56.100 -0.082 0.000 0.990 1009 R CB -0.113 30.133 30.300 -0.089 0.000 0.889 1009 R HN 0.666 nan 8.270 nan 0.000 0.452 1010 G N -0.092 108.716 108.800 0.013 0.000 2.353 1010 G HA2 -0.119 3.842 3.960 0.001 0.000 0.615 1010 G HA3 -0.119 3.842 3.960 0.001 0.000 0.615 1010 G C -1.564 173.278 174.900 -0.097 0.000 1.280 1010 G CA -0.516 44.684 45.100 0.166 0.000 1.000 1010 G HN 0.149 nan 8.290 nan 0.000 0.516 1011 L N 1.019 122.150 121.223 -0.154 0.000 2.288 1011 L HA 0.506 4.847 4.340 0.001 0.000 0.283 1011 L C 1.503 178.049 176.870 -0.541 0.000 1.072 1011 L CA -0.409 54.123 54.840 -0.513 0.000 0.862 1011 L CB 0.606 42.066 42.059 -0.998 0.000 1.245 1011 L HN 0.757 nan 8.230 nan 0.000 0.432 1012 E N 2.181 121.929 120.200 -0.754 0.000 2.285 1012 E HA 0.132 4.483 4.350 0.001 0.000 0.194 1012 E C 1.299 177.675 176.600 -0.373 0.000 0.997 1012 E CA 0.647 56.514 56.400 -0.890 0.000 0.845 1012 E CB -0.041 29.063 29.700 -0.992 0.000 0.782 1012 E HN 0.679 nan 8.360 nan 0.000 0.491 1013 G N -0.877 107.744 108.800 -0.299 0.000 2.132 1013 G HA2 -0.284 3.677 3.960 0.001 0.000 0.234 1013 G HA3 -0.284 3.677 3.960 0.001 0.000 0.234 1013 G C 0.410 175.306 174.900 -0.007 0.000 0.989 1013 G CA 0.216 45.256 45.100 -0.100 0.000 0.676 1013 G HN 0.386 nan 8.290 nan 0.000 0.522 1014 C N -1.656 117.573 119.300 -0.118 0.000 4.146 1014 C HA 0.821 5.282 4.460 0.001 0.000 0.278 1014 C C 2.704 177.633 174.990 -0.102 0.000 3.879 1014 C CA 0.580 59.562 59.018 -0.060 0.000 1.763 1014 C CB 0.402 28.095 27.740 -0.078 0.000 4.540 1014 C HN 0.699 nan 8.230 nan 0.000 0.520 1015 G N 0.468 109.254 108.800 -0.023 0.000 2.476 1015 G HA2 -0.178 3.783 3.960 0.001 0.000 0.218 1015 G HA3 -0.178 3.783 3.960 0.001 0.000 0.218 1015 G C 1.428 176.287 174.900 -0.068 0.000 1.164 1015 G CA 1.832 46.967 45.100 0.059 0.000 0.768 1015 G HN 0.477 nan 8.290 nan 0.000 0.560 1016 V N 0.671 120.470 119.914 -0.191 0.000 2.343 1016 V HA -0.173 3.948 4.120 0.001 0.000 0.247 1016 V C 3.143 179.086 176.094 -0.251 0.000 1.051 1016 V CA 2.342 64.445 62.300 -0.328 0.000 1.036 1016 V CB -0.883 30.768 31.823 -0.286 0.000 0.654 1016 V HN 0.396 nan 8.190 nan 0.000 0.451 1017 T N -0.474 113.894 114.554 -0.310 0.000 2.777 1017 T HA -0.202 4.149 4.350 0.001 0.000 0.266 1017 T C 2.014 176.436 174.700 -0.464 0.000 1.040 1017 T CA 1.774 63.641 62.100 -0.388 0.000 1.141 1017 T CB -0.200 68.384 68.868 -0.474 0.000 0.868 1017 T HN 0.319 nan 8.240 nan 0.000 0.444 1018 K N 1.031 121.076 120.400 -0.591 0.000 2.097 1018 K HA 0.006 4.327 4.320 0.001 0.000 0.205 1018 K C 1.795 178.114 176.600 -0.467 0.000 1.050 1018 K CA 1.105 56.969 56.287 -0.706 0.000 0.938 1018 K CB -0.745 31.235 32.500 -0.867 0.000 0.718 1018 K HN 0.348 nan 8.250 nan 0.000 0.442 1019 F N 0.749 120.476 119.950 -0.372 0.000 2.146 1019 F HA -0.125 4.403 4.527 0.001 0.000 0.298 1019 F C 1.874 177.656 175.800 -0.030 0.000 1.096 1019 F CA 1.720 59.693 58.000 -0.045 0.000 1.275 1019 F CB -0.510 38.488 39.000 -0.003 0.000 1.008 1019 F HN 0.012 nan 8.300 nan 0.000 0.480 1020 S N 1.246 116.888 115.700 -0.097 0.000 2.359 1020 S HA -0.180 4.290 4.470 0.001 0.000 0.224 1020 S C 2.149 176.659 174.600 -0.150 0.000 1.035 1020 S CA 1.653 59.767 58.200 -0.144 0.000 1.018 1020 S CB -0.694 62.477 63.200 -0.049 0.000 0.876 1020 S HN 0.399 nan 8.310 nan 0.000 0.448 1021 L N 0.820 121.971 121.223 -0.122 0.000 2.083 1021 L HA -0.095 4.246 4.340 0.001 0.000 0.209 1021 L C 2.663 179.483 176.870 -0.083 0.000 1.083 1021 L CA 1.258 56.072 54.840 -0.043 0.000 0.752 1021 L CB -0.475 41.575 42.059 -0.014 0.000 0.899 1021 L HN 0.258 nan 8.230 nan 0.000 0.433 1022 E N -0.088 120.045 120.200 -0.111 0.000 2.208 1022 E HA -0.206 4.145 4.350 0.001 0.000 0.193 1022 E C 2.112 178.609 176.600 -0.172 0.000 0.988 1022 E CA 0.820 57.211 56.400 -0.014 0.000 0.828 1022 E CB 0.111 29.890 29.700 0.132 0.000 0.763 1022 E HN 0.344 nan 8.360 nan 0.000 0.478 1023 Q N -0.119 119.437 119.800 -0.406 0.000 2.049 1023 Q HA -0.138 4.202 4.340 0.001 0.000 0.198 1023 Q C 2.265 178.087 176.000 -0.297 0.000 0.971 1023 Q CA 1.313 56.633 55.803 -0.805 0.000 0.833 1023 Q CB -0.055 28.287 28.738 -0.660 0.000 0.896 1023 Q HN 0.133 nan 8.270 nan 0.000 0.434 1024 R N 0.334 120.754 120.500 -0.133 0.000 2.083 1024 R HA -0.187 4.153 4.340 0.001 0.000 0.237 1024 R C 1.456 177.717 176.300 -0.065 0.000 1.137 1024 R CA 2.098 58.173 56.100 -0.041 0.000 0.951 1024 R CB -0.212 30.034 30.300 -0.090 0.000 0.851 1024 R HN 0.303 nan 8.270 nan 0.000 0.434 1025 D N -0.434 119.899 120.400 -0.111 0.000 2.117 1025 D HA -0.215 4.425 4.640 0.001 0.000 0.197 1025 D C 1.483 177.728 176.300 -0.092 0.000 0.987 1025 D CA 1.297 55.237 54.000 -0.101 0.000 0.829 1025 D CB -0.460 40.306 40.800 -0.057 0.000 0.961 1025 D HN 0.426 nan 8.370 nan 0.000 0.460 1026 W N 0.699 121.796 121.300 -0.339 0.000 2.355 1026 W HA -0.166 4.495 4.660 0.001 0.000 0.309 1026 W C 2.097 178.385 176.519 -0.384 0.000 1.206 1026 W CA 1.211 58.303 57.345 -0.423 0.000 1.284 1026 W CB -0.663 28.340 29.460 -0.763 0.000 1.145 1026 W HN -0.155 nan 8.180 nan 0.000 0.502 1027 F N 0.379 120.314 119.950 -0.025 0.000 2.102 1027 F HA -0.229 4.298 4.527 0.001 0.000 0.298 1027 F C 2.342 178.027 175.800 -0.192 0.000 1.105 1027 F CA 1.897 59.848 58.000 -0.082 0.000 1.239 1027 F CB -0.785 38.238 39.000 0.039 0.000 0.991 1027 F HN -0.194 nan 8.300 nan 0.000 0.474 1028 I N 0.142 120.710 120.570 -0.003 0.000 2.163 1028 I HA -0.348 3.822 4.170 0.001 0.000 0.243 1028 I C 2.503 178.501 176.117 -0.198 0.000 1.085 1028 I CA 1.527 62.773 61.300 -0.089 0.000 1.347 1028 I CB -0.511 37.422 38.000 -0.112 0.000 1.044 1028 I HN 0.078 nan 8.210 nan 0.000 0.408 1029 K N 1.223 121.463 120.400 -0.267 0.000 2.280 1029 K HA -0.170 4.151 4.320 0.001 0.000 0.202 1029 K C 0.839 177.183 176.600 -0.426 0.000 1.047 1029 K CA 1.578 57.678 56.287 -0.311 0.000 0.942 1029 K CB -0.130 32.188 32.500 -0.303 0.000 0.739 1029 K HN 0.354 nan 8.250 nan 0.000 0.457 1030 N N -0.702 117.640 118.700 -0.597 0.000 2.276 1030 N HA 0.119 4.860 4.740 0.001 0.000 0.212 1030 N C 0.180 175.336 175.510 -0.589 0.000 1.127 1030 N CA 0.538 53.183 53.050 -0.675 0.000 0.834 1030 N CB 1.321 39.123 38.487 -1.142 0.000 1.014 1030 N HN 0.367 nan 8.380 nan 0.000 0.491 1031 G N -0.118 108.414 108.800 -0.447 0.000 2.175 1031 G HA2 -0.236 3.725 3.960 0.001 0.000 0.244 1031 G HA3 -0.236 3.725 3.960 0.001 0.000 0.244 1031 G C -0.305 174.328 174.900 -0.445 0.000 0.982 1031 G CA -0.335 44.502 45.100 -0.438 0.000 0.641 1031 G HN 0.422 nan 8.290 nan 0.000 0.527 1032 H N 0.672 119.693 119.070 -0.083 0.000 2.483 1032 H HA 0.510 5.067 4.556 0.001 0.000 0.338 1032 H C 0.018 175.329 175.328 -0.030 0.000 1.152 1032 H CA -0.310 55.733 56.048 -0.009 0.000 1.264 1032 H CB 1.130 30.960 29.762 0.112 0.000 1.510 1032 H HN 0.407 nan 8.280 nan 0.000 0.530 1033 E N 1.094 121.348 120.200 0.089 0.000 2.266 1033 E HA 0.409 4.759 4.350 0.001 0.000 0.277 1033 E C -0.734 175.863 176.600 -0.005 0.000 1.018 1033 E CA -0.582 55.828 56.400 0.018 0.000 0.840 1033 E CB 1.679 31.380 29.700 0.002 0.000 1.082 1033 E HN 0.153 nan 8.360 nan 0.000 0.395 1034 V N 1.801 121.700 119.914 -0.024 0.000 2.925 1034 V HA 0.456 4.577 4.120 0.001 0.000 0.311 1034 V C -0.418 175.663 176.094 -0.022 0.000 1.104 1034 V CA -0.838 61.434 62.300 -0.047 0.000 0.954 1034 V CB 2.291 34.088 31.823 -0.044 0.000 1.022 1034 V HN 0.875 nan 8.190 nan 0.000 0.427 1035 T N 1.695 116.241 114.554 -0.013 0.000 2.879 1035 T HA 0.716 5.067 4.350 0.001 0.000 0.290 1035 T C -1.207 173.531 174.700 0.064 0.000 0.993 1035 T CA -0.549 61.569 62.100 0.030 0.000 0.975 1035 T CB 1.503 70.373 68.868 0.003 0.000 0.981 1035 T HN 0.459 nan 8.240 nan 0.000 0.439 1036 L N 4.255 125.565 121.223 0.145 0.000 2.276 1036 L HA 0.737 5.078 4.340 0.001 0.000 0.286 1036 L C -1.019 175.987 176.870 0.226 0.000 1.024 1036 L CA -0.457 54.500 54.840 0.195 0.000 0.826 1036 L CB 1.036 43.266 42.059 0.285 0.000 1.211 1036 L HN 0.710 nan 8.230 nan 0.000 0.422 1037 V N 5.967 126.018 119.914 0.228 0.000 2.555 1037 V HA 0.565 4.686 4.120 0.001 0.000 0.302 1037 V C -0.909 175.467 176.094 0.470 0.000 1.038 1037 V CA -0.598 61.847 62.300 0.241 0.000 0.887 1037 V CB 1.531 33.368 31.823 0.023 0.000 0.991 1037 V HN 0.696 nan 8.190 nan 0.000 0.434 1038 Y N 2.011 122.450 120.300 0.232 0.000 2.524 1038 Y HA 0.894 5.445 4.550 0.001 0.000 0.347 1038 Y C -0.226 175.805 175.900 0.219 0.000 1.005 1038 Y CA -1.553 56.679 58.100 0.220 0.000 1.025 1038 Y CB 1.488 39.992 38.460 0.074 0.000 1.275 1038 Y HN 0.720 nan 8.280 nan 0.000 0.460 1039 A N 3.566 126.534 122.820 0.248 0.000 2.309 1039 A HA 0.381 4.702 4.320 0.001 0.000 0.290 1039 A C 0.463 178.129 177.584 0.138 0.000 1.206 1039 A CA -0.655 51.462 52.037 0.134 0.000 0.850 1039 A CB 0.157 19.230 19.000 0.122 0.000 1.118 1039 A HN 0.877 nan 8.150 nan 0.000 0.523 1040 K N 1.640 122.057 120.400 0.028 0.000 2.410 1040 K HA 0.087 4.408 4.320 0.001 0.000 0.200 1040 K C -0.546 176.111 176.600 0.095 0.000 1.023 1040 K CA 0.305 56.656 56.287 0.106 0.000 1.149 1040 K CB 0.154 32.669 32.500 0.025 0.000 0.859 1040 K HN 0.504 nan 8.250 nan 0.000 0.514 1041 D N 2.111 122.560 120.400 0.082 0.000 2.158 1041 D HA -0.191 4.450 4.640 0.001 0.000 0.197 1041 D C 0.317 176.641 176.300 0.039 0.000 0.995 1041 D CA 1.532 55.567 54.000 0.058 0.000 0.846 1041 D CB 0.132 40.967 40.800 0.059 0.000 0.941 1041 D HN 0.337 nan 8.370 nan 0.000 0.456 1042 K N -0.076 120.361 120.400 0.061 0.000 2.270 1042 K HA 0.438 4.759 4.320 0.001 0.000 0.255 1042 K C -0.931 175.639 176.600 -0.050 0.000 0.936 1042 K CA -0.564 55.697 56.287 -0.043 0.000 0.809 1042 K CB 2.013 34.467 32.500 -0.077 0.000 1.131 1042 K HN -0.088 nan 8.250 nan 0.000 0.427 1043 S N 2.521 118.084 115.700 -0.229 0.000 2.681 1043 S HA 0.736 5.207 4.470 0.001 0.000 0.299 1043 S C -1.322 172.967 174.600 -0.518 0.000 1.113 1043 S CA -0.621 57.500 58.200 -0.131 0.000 1.013 1043 S CB 0.385 63.562 63.200 -0.038 0.000 1.076 1043 S HN 0.427 nan 8.310 nan 0.000 0.534 1044 F N 0.215 120.169 119.950 0.006 0.000 2.588 1044 F HA 0.361 4.889 4.527 0.001 0.000 0.310 1044 F C 1.490 177.278 175.800 -0.019 0.000 1.082 1044 F CA -0.798 57.194 58.000 -0.015 0.000 0.929 1044 F CB 1.344 40.324 39.000 -0.034 0.000 1.254 1044 F HN 0.568 nan 8.300 nan 0.000 0.455 1045 T N -0.089 114.547 114.554 0.137 0.000 2.622 1045 T HA -0.177 4.174 4.350 0.001 0.000 0.266 1045 T C 1.340 176.073 174.700 0.055 0.000 1.047 1045 T CA 1.374 63.513 62.100 0.064 0.000 1.159 1045 T CB -0.278 68.611 68.868 0.034 0.000 0.863 1045 T HN 0.472 nan 8.240 nan 0.000 0.422 1046 R N 1.685 122.214 120.500 0.048 0.000 2.849 1046 R HA 0.182 4.523 4.340 0.001 0.000 0.238 1046 R C 1.848 178.141 176.300 -0.010 0.000 1.403 1046 R CA 0.301 56.389 56.100 -0.020 0.000 1.303 1046 R CB -0.671 29.583 30.300 -0.077 0.000 1.191 1046 R HN 0.272 nan 8.270 nan 0.000 0.533 1047 T N -0.647 113.931 114.554 0.039 0.000 3.007 1047 T HA -0.047 4.303 4.350 0.001 0.000 0.270 1047 T C 1.279 176.033 174.700 0.089 0.000 1.107 1047 T CA 1.324 63.444 62.100 0.033 0.000 1.118 1047 T CB 0.060 68.982 68.868 0.091 0.000 0.889 1047 T HN 0.264 nan 8.240 nan 0.000 0.506 1048 S N 0.163 115.903 115.700 0.068 0.000 2.559 1048 S HA 0.217 4.688 4.470 0.001 0.000 0.226 1048 S C 1.950 176.559 174.600 0.014 0.000 1.000 1048 S CA -0.133 58.116 58.200 0.081 0.000 0.948 1048 S CB 0.263 63.483 63.200 0.033 0.000 0.870 1048 S HN 0.399 nan 8.310 nan 0.000 0.497 1049 S N 1.528 117.189 115.700 -0.064 0.000 2.402 1049 S HA -0.093 4.378 4.470 0.001 0.000 0.233 1049 S C 0.288 174.646 174.600 -0.403 0.000 1.030 1049 S CA 1.453 59.490 58.200 -0.272 0.000 1.003 1049 S CB -0.134 62.809 63.200 -0.428 0.000 0.813 1049 S HN 0.654 nan 8.310 nan 0.000 0.477 1050 H N -0.158 118.921 119.070 0.015 0.000 2.621 1050 H HA 0.417 4.974 4.556 0.002 0.000 0.360 1050 H C -0.663 174.744 175.328 0.132 0.000 1.163 1050 H CA -1.053 55.029 56.048 0.058 0.000 1.194 1050 H CB 0.720 30.491 29.762 0.015 0.000 1.649 1050 H HN -0.053 nan 8.280 nan 0.000 0.532 1051 D N 1.700 122.224 120.400 0.205 0.000 2.365 1051 D HA -0.000 4.641 4.640 0.001 0.000 0.237 1051 D C 0.146 176.473 176.300 0.044 0.000 1.190 1051 D CA 0.017 54.061 54.000 0.073 0.000 0.867 1051 D CB 0.341 41.185 40.800 0.073 0.000 1.050 1051 D HN 0.903 nan 8.370 nan 0.000 0.491 1052 H N 2.429 121.347 119.070 -0.253 0.000 3.734 1052 H HA 0.135 4.692 4.556 0.001 0.000 0.253 1052 H C 1.163 175.960 175.328 -0.885 0.000 1.072 1052 H CA -0.310 55.254 56.048 -0.807 0.000 1.147 1052 H CB 0.034 29.505 29.762 -0.485 0.000 1.495 1052 H HN 0.242 nan 8.280 nan 0.000 0.588 1053 K N 1.689 121.342 120.400 -1.245 0.000 2.242 1053 K HA -0.178 4.143 4.320 0.001 0.000 0.206 1053 K C 2.190 178.565 176.600 -0.375 0.000 1.045 1053 K CA 2.226 58.094 56.287 -0.697 0.000 0.930 1053 K CB 0.099 32.306 32.500 -0.488 0.000 0.726 1053 K HN 0.383 nan 8.250 nan 0.000 0.462 1054 S N -0.526 114.960 115.700 -0.357 0.000 2.496 1054 S HA -0.060 4.411 4.470 0.001 0.000 0.224 1054 S C 1.443 176.047 174.600 0.006 0.000 0.996 1054 S CA 0.428 58.561 58.200 -0.112 0.000 0.927 1054 S CB -0.174 63.041 63.200 0.025 0.000 0.774 1054 S HN 0.427 nan 8.310 nan 0.000 0.524 1055 F N 1.016 120.985 119.950 0.032 0.000 2.856 1055 F HA 0.505 5.032 4.527 0.001 0.000 0.338 1055 F C 0.504 176.360 175.800 0.095 0.000 1.005 1055 F CA -0.486 57.545 58.000 0.052 0.000 1.155 1055 F CB -0.416 38.608 39.000 0.040 0.000 1.010 1055 F HN 0.144 nan 8.300 nan 0.000 0.587 1056 S N 2.300 117.937 115.700 -0.105 0.000 2.579 1056 S HA 0.481 4.952 4.470 0.001 0.000 0.275 1056 S C -0.359 174.376 174.600 0.225 0.000 1.345 1056 S CA -0.388 57.919 58.200 0.178 0.000 1.031 1056 S CB 0.966 64.296 63.200 0.218 0.000 0.892 1056 S HN 0.281 nan 8.310 nan 0.000 0.529 1057 I N 3.413 124.126 120.570 0.239 0.000 2.390 1057 I HA 0.352 4.523 4.170 0.001 0.000 0.283 1057 I C -2.270 173.787 176.117 -0.101 0.000 1.016 1057 I CA -2.437 58.914 61.300 0.085 0.000 1.151 1057 I CB 1.898 39.927 38.000 0.048 0.000 1.293 1057 I HN 0.483 nan 8.210 nan 0.000 0.458 1058 P HA 0.372 nan 4.420 nan 0.000 0.279 1058 P C -0.784 176.313 177.300 -0.338 0.000 1.252 1058 P CA -0.378 62.275 63.100 -0.744 0.000 0.811 1058 P CB 2.517 33.856 31.700 -0.602 0.000 1.035 1059 V N 2.254 121.992 119.914 -0.292 0.000 2.950 1059 V HA 0.235 4.356 4.120 0.001 0.000 0.295 1059 V C -0.246 175.820 176.094 -0.047 0.000 1.297 1059 V CA -0.514 61.718 62.300 -0.114 0.000 0.962 1059 V CB 2.151 33.934 31.823 -0.067 0.000 1.081 1059 V HN 0.334 nan 8.190 nan 0.000 0.432 1060 I N 5.685 126.249 120.570 -0.010 0.000 2.287 1060 I HA 0.187 4.358 4.170 0.001 0.000 0.290 1060 I C 0.960 177.117 176.117 0.067 0.000 1.069 1060 I CA -0.368 60.948 61.300 0.028 0.000 1.237 1060 I CB 1.123 39.136 38.000 0.022 0.000 1.418 1060 I HN 0.494 nan 8.210 nan 0.000 0.481 1061 L N 5.110 126.396 121.223 0.107 0.000 2.042 1061 L HA -0.209 4.132 4.340 0.001 0.000 0.210 1061 L C 2.655 179.613 176.870 0.148 0.000 1.076 1061 L CA 2.072 57.006 54.840 0.157 0.000 0.749 1061 L CB -0.902 41.287 42.059 0.216 0.000 0.893 1061 L HN 0.755 nan 8.230 nan 0.000 0.432 1062 A N -0.105 122.782 122.820 0.110 0.000 2.024 1062 A HA -0.192 4.129 4.320 0.001 0.000 0.220 1062 A C 1.535 179.168 177.584 0.081 0.000 1.164 1062 A CA 2.017 54.108 52.037 0.090 0.000 0.643 1062 A CB -0.433 18.606 19.000 0.064 0.000 0.806 1062 A HN 0.581 nan 8.150 nan 0.000 0.451 1063 K N -1.570 118.877 120.400 0.078 0.000 3.257 1063 K HA 0.374 4.695 4.320 0.001 0.000 0.196 1063 K C -0.842 175.798 176.600 0.067 0.000 1.089 1063 K CA -0.109 56.218 56.287 0.067 0.000 0.959 1063 K CB 0.132 32.658 32.500 0.044 0.000 0.719 1063 K HN 0.291 nan 8.250 nan 0.000 0.446 1064 E N 0.362 120.616 120.200 0.091 0.000 3.068 1064 E HA -0.010 4.341 4.350 0.001 0.000 0.156 1064 E C -0.150 176.502 176.600 0.087 0.000 0.914 1064 E CA -0.159 56.281 56.400 0.068 0.000 1.393 1064 E CB 0.065 29.781 29.700 0.027 0.000 1.016 1064 E HN 0.333 nan 8.360 nan 0.000 0.434 1065 Y N 2.473 122.785 120.300 0.021 0.000 2.096 1065 Y HA -0.383 4.168 4.550 0.001 0.000 0.278 1065 Y C 1.725 177.626 175.900 0.001 0.000 1.192 1065 Y CA 2.433 60.546 58.100 0.021 0.000 1.143 1065 Y CB 0.146 38.617 38.460 0.019 0.000 0.963 1065 Y HN 0.118 nan 8.280 nan 0.000 0.505 1066 D N -0.050 120.416 120.400 0.111 0.000 2.084 1066 D HA -0.232 4.408 4.640 0.001 0.000 0.194 1066 D C 2.116 178.355 176.300 -0.101 0.000 0.990 1066 D CA 1.855 55.858 54.000 0.005 0.000 0.826 1066 D CB -0.338 40.510 40.800 0.080 0.000 0.971 1066 D HN 0.412 nan 8.370 nan 0.000 0.453 1067 K N 1.161 121.522 120.400 -0.064 0.000 2.074 1067 K HA -0.179 4.141 4.320 0.001 0.000 0.209 1067 K C 2.115 178.628 176.600 -0.145 0.000 1.048 1067 K CA 1.516 57.753 56.287 -0.083 0.000 0.926 1067 K CB -0.089 32.379 32.500 -0.055 0.000 0.713 1067 K HN 0.014 nan 8.250 nan 0.000 0.444 1068 A N 1.310 124.024 122.820 -0.177 0.000 1.865 1068 A HA -0.190 4.130 4.320 0.001 0.000 0.217 1068 A C 2.127 179.512 177.584 -0.332 0.000 1.191 1068 A CA 1.721 53.612 52.037 -0.243 0.000 0.623 1068 A CB -0.839 18.047 19.000 -0.190 0.000 0.826 1068 A HN 0.421 nan 8.150 nan 0.000 0.444 1069 L N -0.244 120.715 121.223 -0.440 0.000 2.042 1069 L HA -0.157 4.184 4.340 0.001 0.000 0.210 1069 L C 2.344 179.071 176.870 -0.238 0.000 1.076 1069 L CA 2.583 57.176 54.840 -0.410 0.000 0.749 1069 L CB -0.409 41.333 42.059 -0.529 0.000 0.893 1069 L HN 0.455 nan 8.230 nan 0.000 0.432 1070 K N -0.979 119.308 120.400 -0.189 0.000 2.097 1070 K HA -0.150 4.171 4.320 0.001 0.000 0.205 1070 K C 2.067 178.590 176.600 -0.129 0.000 1.050 1070 K CA 1.432 57.645 56.287 -0.124 0.000 0.938 1070 K CB -0.090 32.357 32.500 -0.090 0.000 0.718 1070 K HN 0.364 nan 8.250 nan 0.000 0.442 1071 L N -0.017 121.107 121.223 -0.164 0.000 2.007 1071 L HA -0.135 4.206 4.340 0.001 0.000 0.205 1071 L C 2.166 178.922 176.870 -0.189 0.000 1.073 1071 L CA 0.669 55.410 54.840 -0.165 0.000 0.744 1071 L CB -0.236 41.710 42.059 -0.189 0.000 0.898 1071 L HN -0.046 nan 8.230 nan 0.000 0.435 1072 V N 0.184 119.939 119.914 -0.266 0.000 2.867 1072 V HA -0.219 3.902 4.120 0.001 0.000 0.260 1072 V C 1.667 177.672 176.094 -0.148 0.000 1.099 1072 V CA 1.325 63.473 62.300 -0.253 0.000 1.122 1072 V CB -0.679 30.945 31.823 -0.331 0.000 0.708 1072 V HN 0.471 nan 8.190 nan 0.000 0.490 1073 N N -0.298 118.324 118.700 -0.130 0.000 2.280 1073 N HA 0.003 4.744 4.740 0.001 0.000 0.192 1073 N C 0.455 175.924 175.510 -0.068 0.000 1.109 1073 N CA 0.236 53.234 53.050 -0.087 0.000 0.855 1073 N CB 0.303 38.743 38.487 -0.079 0.000 0.974 1073 N HN 0.408 nan 8.380 nan 0.000 0.482 1074 D N 1.375 121.730 120.400 -0.076 0.000 2.638 1074 D HA 0.192 4.833 4.640 0.001 0.000 0.245 1074 D C -0.297 175.971 176.300 -0.054 0.000 1.176 1074 D CA -0.401 53.565 54.000 -0.057 0.000 0.996 1074 D CB -0.399 40.367 40.800 -0.057 0.000 1.012 1074 D HN 0.247 nan 8.370 nan 0.000 0.515 1075 C N -0.443 118.828 119.300 -0.047 0.000 3.253 1075 C HA 0.516 4.977 4.460 0.001 0.000 0.362 1075 C C 0.266 175.236 174.990 -0.033 0.000 1.487 1075 C CA -0.707 58.284 59.018 -0.046 0.000 1.179 1075 C CB 1.263 28.966 27.740 -0.062 0.000 1.660 1075 C HN 0.199 nan 8.230 nan 0.000 0.438 1076 D N -0.073 120.308 120.400 -0.033 0.000 2.470 1076 D HA 0.337 4.977 4.640 0.001 0.000 0.238 1076 D C -0.026 176.259 176.300 -0.025 0.000 1.054 1076 D CA 0.953 54.943 54.000 -0.018 0.000 0.896 1076 D CB 0.727 41.529 40.800 0.002 0.000 1.118 1076 D HN 0.606 nan 8.370 nan 0.000 0.497 1077 I N 1.948 122.489 120.570 -0.049 0.000 2.447 1077 I HA 0.234 4.404 4.170 0.001 0.000 0.287 1077 I C -0.912 175.178 176.117 -0.044 0.000 1.023 1077 I CA -0.540 60.732 61.300 -0.046 0.000 1.083 1077 I CB 3.045 40.998 38.000 -0.079 0.000 1.245 1077 I HN -0.212 nan 8.210 nan 0.000 0.434 1078 L N 7.644 128.870 121.223 0.005 0.000 2.287 1078 L HA 0.598 4.938 4.340 0.001 0.000 0.287 1078 L C -0.945 175.989 176.870 0.107 0.000 1.022 1078 L CA -0.562 54.303 54.840 0.041 0.000 0.814 1078 L CB 1.361 43.449 42.059 0.047 0.000 1.217 1078 L HN 0.585 nan 8.230 nan 0.000 0.420 1079 I N 6.408 127.063 120.570 0.143 0.000 2.354 1079 I HA 0.338 4.509 4.170 0.001 0.000 0.286 1079 I C -0.201 176.086 176.117 0.283 0.000 1.007 1079 I CA -0.398 61.041 61.300 0.233 0.000 1.167 1079 I CB 1.726 39.866 38.000 0.233 0.000 1.320 1079 I HN 0.464 nan 8.210 nan 0.000 0.458 1080 I N 6.391 127.134 120.570 0.288 0.000 2.304 1080 I HA 0.232 4.403 4.170 0.001 0.000 0.291 1080 I C 0.795 177.048 176.117 0.227 0.000 1.018 1080 I CA -0.264 61.189 61.300 0.255 0.000 1.260 1080 I CB 0.844 38.987 38.000 0.238 0.000 1.390 1080 I HN 0.578 nan 8.210 nan 0.000 0.475 1081 N N 3.738 122.554 118.700 0.193 0.000 2.282 1081 N HA 0.050 4.791 4.740 0.001 0.000 0.185 1081 N C -0.068 175.533 175.510 0.152 0.000 1.099 1081 N CA 0.206 53.403 53.050 0.245 0.000 0.878 1081 N CB 0.698 39.349 38.487 0.273 0.000 0.993 1081 N HN 0.717 nan 8.380 nan 0.000 0.481 1082 S N -0.761 114.941 115.700 0.004 0.000 2.547 1082 S HA 0.555 5.026 4.470 0.001 0.000 0.270 1082 S C -0.714 173.767 174.600 -0.199 0.000 1.150 1082 S CA -0.906 57.254 58.200 -0.067 0.000 0.850 1082 S CB 1.831 64.971 63.200 -0.100 0.000 1.118 1082 S HN -0.076 nan 8.310 nan 0.000 0.461 1083 V N -1.841 117.954 119.914 -0.199 0.000 2.864 1083 V HA 0.846 4.967 4.120 0.001 0.000 0.314 1083 V C -2.804 173.096 176.094 -0.323 0.000 1.073 1083 V CA -2.832 59.237 62.300 -0.385 0.000 0.956 1083 V CB 1.319 33.007 31.823 -0.226 0.000 1.023 1083 V HN 0.875 nan 8.190 nan 0.000 0.435 1084 P HA 0.019 nan 4.420 nan 0.000 0.263 1084 P C 0.016 177.272 177.300 -0.074 0.000 1.162 1084 P CA 0.797 63.768 63.100 -0.214 0.000 0.758 1084 P CB 0.298 31.876 31.700 -0.203 0.000 0.773 1085 A N 3.180 125.999 122.820 -0.003 0.000 2.332 1085 A HA 0.253 4.574 4.320 0.001 0.000 0.258 1085 A C 0.943 178.549 177.584 0.037 0.000 1.087 1085 A CA -0.224 51.837 52.037 0.041 0.000 0.802 1085 A CB -0.240 18.812 19.000 0.088 0.000 1.042 1085 A HN 0.518 nan 8.150 nan 0.000 0.489 1086 T N 0.789 115.372 114.554 0.048 0.000 4.475 1086 T HA 0.354 4.705 4.350 0.001 0.000 0.254 1086 T C 0.519 175.241 174.700 0.037 0.000 1.160 1086 T CA 0.828 62.956 62.100 0.047 0.000 1.091 1086 T CB -1.484 67.418 68.868 0.057 0.000 1.377 1086 T HN 1.688 nan 8.240 nan 0.000 1.057 1087 S N -0.037 115.680 115.700 0.029 0.000 4.266 1087 S HA -0.053 4.418 4.470 0.001 0.000 0.082 1087 S C 0.981 175.587 174.600 0.010 0.000 0.850 1087 S CA 0.082 58.292 58.200 0.017 0.000 0.971 1087 S CB -1.390 61.815 63.200 0.008 0.000 0.764 1087 S HN 0.441 nan 8.310 nan 0.000 0.752 1088 V N -0.547 119.379 119.914 0.019 0.000 2.649 1088 V HA 0.417 4.538 4.120 0.001 0.000 0.248 1088 V C 0.471 176.579 176.094 0.024 0.000 1.054 1088 V CA 1.354 63.666 62.300 0.021 0.000 1.073 1088 V CB -1.036 30.803 31.823 0.028 0.000 0.699 1088 V HN 1.465 nan 8.190 nan 0.000 0.463 1089 Q N -1.026 118.791 119.800 0.028 0.000 3.557 1089 Q HA -0.153 4.188 4.340 0.001 0.000 0.117 1089 Q C 0.150 176.173 176.000 0.039 0.000 1.026 1089 Q CA 0.486 56.307 55.803 0.029 0.000 1.215 1089 Q CB -1.163 27.590 28.738 0.025 0.000 1.170 1089 Q HN 0.293 nan 8.270 nan 0.000 0.563 1090 E N 1.618 121.839 120.200 0.035 0.000 2.149 1090 E HA -0.363 3.988 4.350 0.001 0.000 0.215 1090 E C 1.720 178.349 176.600 0.048 0.000 1.055 1090 E CA 2.688 59.112 56.400 0.039 0.000 0.870 1090 E CB -0.331 29.387 29.700 0.028 0.000 0.764 1090 E HN 0.728 nan 8.360 nan 0.000 0.463 1091 A N 0.629 123.476 122.820 0.045 0.000 1.908 1091 A HA -0.203 4.118 4.320 0.001 0.000 0.218 1091 A C 2.479 180.113 177.584 0.083 0.000 1.181 1091 A CA 2.350 54.419 52.037 0.054 0.000 0.627 1091 A CB -0.908 18.120 19.000 0.046 0.000 0.818 1091 A HN 0.283 nan 8.150 nan 0.000 0.445 1092 T N -0.113 114.491 114.554 0.084 0.000 2.643 1092 T HA -0.145 4.206 4.350 0.001 0.000 0.264 1092 T C 1.817 176.607 174.700 0.151 0.000 1.045 1092 T CA 1.623 63.790 62.100 0.110 0.000 1.155 1092 T CB -0.358 68.558 68.868 0.080 0.000 0.863 1092 T HN 0.403 nan 8.240 nan 0.000 0.420 1093 I N 1.515 122.159 120.570 0.124 0.000 2.756 1093 I HA -0.051 4.119 4.170 0.001 0.000 0.262 1093 I C 1.683 177.905 176.117 0.176 0.000 1.225 1093 I CA 1.026 62.423 61.300 0.161 0.000 1.472 1093 I CB -0.572 37.493 38.000 0.109 0.000 1.094 1093 I HN 0.223 nan 8.210 nan 0.000 0.454 1094 N N 0.119 118.895 118.700 0.127 0.000 2.148 1094 N HA -0.118 4.623 4.740 0.001 0.000 0.186 1094 N C 1.463 177.041 175.510 0.114 0.000 1.031 1094 N CA 1.053 54.158 53.050 0.093 0.000 0.848 1094 N CB -0.119 38.399 38.487 0.053 0.000 1.005 1094 N HN 0.330 nan 8.380 nan 0.000 0.427 1095 N N 0.528 119.323 118.700 0.158 0.000 2.244 1095 N HA -0.181 4.560 4.740 0.001 0.000 0.183 1095 N C 1.470 177.164 175.510 0.307 0.000 1.016 1095 N CA 0.786 53.987 53.050 0.250 0.000 0.866 1095 N CB -0.380 38.288 38.487 0.302 0.000 0.980 1095 N HN 0.402 nan 8.380 nan 0.000 0.430 1096 Y N 1.766 122.171 120.300 0.175 0.000 2.242 1096 Y HA -0.083 4.468 4.550 0.002 0.000 0.291 1096 Y C 2.132 178.120 175.900 0.146 0.000 1.137 1096 Y CA 1.446 59.647 58.100 0.168 0.000 1.181 1096 Y CB 0.093 38.622 38.460 0.114 0.000 0.989 1096 Y HN -0.100 nan 8.280 nan 0.000 0.527 1097 K N 0.216 120.610 120.400 -0.011 0.000 2.217 1097 K HA -0.151 4.170 4.320 0.001 0.000 0.202 1097 K C 2.090 178.650 176.600 -0.067 0.000 1.051 1097 K CA 1.168 57.398 56.287 -0.095 0.000 0.952 1097 K CB -0.044 32.468 32.500 0.021 0.000 0.736 1097 K HN 0.220 nan 8.250 nan 0.000 0.453 1098 K N 0.631 121.054 120.400 0.038 0.000 2.217 1098 K HA -0.084 4.237 4.320 0.001 0.000 0.202 1098 K C 1.874 178.589 176.600 0.191 0.000 1.051 1098 K CA 0.466 56.813 56.287 0.100 0.000 0.952 1098 K CB 0.158 32.698 32.500 0.067 0.000 0.736 1098 K HN -0.046 nan 8.250 nan 0.000 0.453 1099 L N 1.298 122.605 121.223 0.139 0.000 2.056 1099 L HA -0.090 4.251 4.340 0.001 0.000 0.207 1099 L C 1.875 178.700 176.870 -0.075 0.000 1.078 1099 L CA 1.472 56.312 54.840 -0.000 0.000 0.749 1099 L CB -0.353 41.670 42.059 -0.060 0.000 0.901 1099 L HN 0.192 nan 8.230 nan 0.000 0.433 1100 L N -0.930 120.188 121.223 -0.175 0.000 2.362 1100 L HA -0.169 4.172 4.340 0.001 0.000 0.219 1100 L C 1.352 178.182 176.870 -0.067 0.000 1.134 1100 L CA 0.635 55.389 54.840 -0.143 0.000 0.807 1100 L CB -0.444 41.486 42.059 -0.216 0.000 0.927 1100 L HN 0.254 nan 8.230 nan 0.000 0.447 1101 D N -0.472 119.905 120.400 -0.037 0.000 2.350 1101 D HA -0.010 4.631 4.640 0.001 0.000 0.213 1101 D C 0.496 176.801 176.300 0.008 0.000 1.031 1101 D CA 0.498 54.490 54.000 -0.013 0.000 0.861 1101 D CB 0.196 40.992 40.800 -0.006 0.000 0.926 1101 D HN 0.265 nan 8.370 nan 0.000 0.520 1102 N N -0.335 118.376 118.700 0.018 0.000 2.433 1102 N HA 0.245 4.986 4.740 0.001 0.000 0.270 1102 N C -0.546 174.959 175.510 -0.008 0.000 1.354 1102 N CA -0.151 52.914 53.050 0.025 0.000 0.889 1102 N CB 1.216 39.755 38.487 0.087 0.000 1.285 1102 N HN 0.022 nan 8.380 nan 0.000 0.503 1103 I N 1.966 122.525 120.570 -0.020 0.000 2.301 1103 I HA 0.079 4.250 4.170 0.001 0.000 0.292 1103 I C 0.599 176.704 176.117 -0.019 0.000 1.046 1103 I CA -0.812 60.471 61.300 -0.028 0.000 1.282 1103 I CB 0.469 38.455 38.000 -0.024 0.000 1.409 1103 I HN 0.159 nan 8.210 nan 0.000 0.484 1104 K N 8.653 129.041 120.400 -0.021 0.000 2.542 1104 K HA 0.010 4.331 4.320 0.001 0.000 0.276 1104 K C -1.717 174.876 176.600 -0.011 0.000 0.963 1104 K CA -0.604 55.675 56.287 -0.014 0.000 0.975 1104 K CB 0.144 32.634 32.500 -0.016 0.000 0.901 1104 K HN 0.298 nan 8.250 nan 0.000 0.506 1105 P HA -0.188 nan 4.420 nan 0.000 0.218 1105 P C 0.591 177.888 177.300 -0.005 0.000 1.149 1105 P CA 1.415 64.512 63.100 -0.006 0.000 0.817 1105 P CB -0.038 31.659 31.700 -0.004 0.000 0.785 1106 S N -0.963 114.733 115.700 -0.006 0.000 2.840 1106 S HA 0.201 4.672 4.470 0.001 0.000 0.235 1106 S C 0.576 175.172 174.600 -0.007 0.000 0.968 1106 S CA -0.416 57.781 58.200 -0.005 0.000 1.026 1106 S CB -1.328 61.870 63.200 -0.004 0.000 0.788 1106 S HN 0.068 nan 8.310 nan 0.000 0.487 1107 I N 1.474 122.040 120.570 -0.008 0.000 2.466 1107 I HA 0.393 4.564 4.170 0.001 0.000 0.289 1107 I C 0.009 176.123 176.117 -0.004 0.000 1.026 1107 I CA -0.823 60.471 61.300 -0.009 0.000 1.078 1107 I CB 2.080 40.071 38.000 -0.014 0.000 1.249 1107 I HN 0.121 nan 8.210 nan 0.000 0.429 1108 R N 6.131 126.629 120.500 -0.003 0.000 2.196 1108 R HA 0.459 4.800 4.340 0.001 0.000 0.340 1108 R C -1.266 175.044 176.300 0.016 0.000 1.043 1108 R CA -0.418 55.682 56.100 0.001 0.000 0.883 1108 R CB 0.878 31.174 30.300 -0.007 0.000 1.078 1108 R HN 0.429 nan 8.270 nan 0.000 0.462 1109 V N 6.163 126.091 119.914 0.023 0.000 2.408 1109 V HA 0.163 4.284 4.120 0.001 0.000 0.267 1109 V C -0.031 176.096 176.094 0.056 0.000 1.047 1109 V CA -0.412 61.917 62.300 0.047 0.000 0.937 1109 V CB 1.276 33.127 31.823 0.046 0.000 0.999 1109 V HN 0.494 nan 8.190 nan 0.000 0.472 1110 V N 6.130 126.101 119.914 0.095 0.000 2.435 1110 V HA 0.487 4.608 4.120 0.001 0.000 0.290 1110 V C -0.109 176.072 176.094 0.144 0.000 1.030 1110 V CA -0.527 61.840 62.300 0.112 0.000 0.881 1110 V CB 1.975 33.917 31.823 0.199 0.000 0.983 1110 V HN 0.577 nan 8.190 nan 0.000 0.445 1111 V N 5.413 125.362 119.914 0.058 0.000 2.487 1111 V HA 0.486 4.607 4.120 0.001 0.000 0.298 1111 V C -1.188 174.868 176.094 -0.063 0.000 1.028 1111 V CA -0.687 61.653 62.300 0.066 0.000 0.860 1111 V CB 1.722 33.578 31.823 0.055 0.000 0.991 1111 V HN 0.755 nan 8.190 nan 0.000 0.427 1112 Y N 2.950 123.180 120.300 -0.116 0.000 2.352 1112 Y HA 0.591 5.143 4.550 0.002 0.000 0.339 1112 Y C 0.216 175.779 175.900 -0.561 0.000 0.992 1112 Y CA -0.533 57.281 58.100 -0.477 0.000 1.100 1112 Y CB 1.958 39.938 38.460 -0.801 0.000 1.192 1112 Y HN 0.543 nan 8.280 nan 0.000 0.458 1113 Q N 2.744 122.239 119.800 -0.507 0.000 2.400 1113 Q HA 0.247 4.588 4.340 0.001 0.000 0.255 1113 Q C -0.460 175.280 176.000 -0.434 0.000 1.008 1113 Q CA -0.184 55.315 55.803 -0.506 0.000 0.841 1113 Q CB 0.325 28.480 28.738 -0.971 0.000 1.220 1113 Q HN 0.711 nan 8.270 nan 0.000 0.474 1114 H N 1.601 120.608 119.070 -0.105 0.000 2.553 1114 H HA 0.194 4.751 4.556 0.002 0.000 0.265 1114 H C -0.509 174.764 175.328 -0.093 0.000 0.964 1114 H CA 0.092 56.135 56.048 -0.008 0.000 1.156 1114 H CB 0.831 30.589 29.762 -0.007 0.000 1.411 1114 H HN 0.534 nan 8.280 nan 0.000 0.558 1115 D N -0.311 120.046 120.400 -0.073 0.000 2.387 1115 D HA 0.110 4.751 4.640 0.001 0.000 0.251 1115 D C 1.177 177.266 176.300 -0.352 0.000 1.141 1115 D CA -0.195 53.687 54.000 -0.196 0.000 0.987 1115 D CB 1.402 42.176 40.800 -0.043 0.000 1.116 1115 D HN 0.251 nan 8.370 nan 0.000 0.491 1116 H N -0.542 118.434 119.070 -0.157 0.000 2.329 1116 H HA 0.091 4.648 4.556 0.001 0.000 0.285 1116 H C 0.578 175.655 175.328 -0.418 0.000 1.062 1116 H CA 0.117 55.928 56.048 -0.395 0.000 1.511 1116 H CB -0.458 28.763 29.762 -0.902 0.000 1.471 1116 H HN 0.269 nan 8.280 nan 0.000 0.613 1117 S N 1.287 116.748 115.700 -0.398 0.000 2.562 1117 S HA 0.069 4.540 4.470 0.001 0.000 0.281 1117 S C 1.699 176.324 174.600 0.042 0.000 1.333 1117 S CA -0.281 57.812 58.200 -0.178 0.000 1.052 1117 S CB 0.698 63.785 63.200 -0.188 0.000 0.884 1117 S HN 0.107 nan 8.310 nan 0.000 0.506 1118 V N 5.825 125.812 119.914 0.123 0.000 2.380 1118 V HA -0.196 3.925 4.120 0.001 0.000 0.251 1118 V C 2.224 178.369 176.094 0.086 0.000 1.063 1118 V CA 1.783 64.145 62.300 0.104 0.000 1.055 1118 V CB -0.860 31.014 31.823 0.084 0.000 0.657 1118 V HN 0.791 nan 8.190 nan 0.000 0.455 1119 L N -0.222 121.049 121.223 0.080 0.000 2.079 1119 L HA -0.165 4.176 4.340 0.001 0.000 0.210 1119 L C 2.578 179.500 176.870 0.086 0.000 1.081 1119 L CA 2.054 56.943 54.840 0.081 0.000 0.752 1119 L CB -0.943 41.168 42.059 0.087 0.000 0.896 1119 L HN 0.238 nan 8.230 nan 0.000 0.433 1120 S N -0.924 114.825 115.700 0.082 0.000 2.348 1120 S HA -0.006 4.465 4.470 0.001 0.000 0.219 1120 S C 1.928 176.586 174.600 0.096 0.000 1.033 1120 S CA 0.740 58.993 58.200 0.088 0.000 0.974 1120 S CB -0.263 62.983 63.200 0.076 0.000 0.868 1120 S HN 0.303 nan 8.310 nan 0.000 0.459 1121 L N 1.244 122.530 121.223 0.106 0.000 2.129 1121 L HA -0.142 4.199 4.340 0.001 0.000 0.212 1121 L C 2.523 179.485 176.870 0.154 0.000 1.087 1121 L CA 1.004 55.934 54.840 0.150 0.000 0.757 1121 L CB -0.521 41.650 42.059 0.187 0.000 0.896 1121 L HN 0.178 nan 8.230 nan 0.000 0.434 1122 R N 0.354 120.927 120.500 0.121 0.000 2.189 1122 R HA -0.013 4.327 4.340 0.001 0.000 0.218 1122 R C 1.559 177.924 176.300 0.109 0.000 1.074 1122 R CA 0.680 56.849 56.100 0.115 0.000 0.991 1122 R CB -0.297 30.057 30.300 0.089 0.000 0.883 1122 R HN 0.415 nan 8.270 nan 0.000 0.457 1123 R N 0.933 121.494 120.500 0.101 0.000 2.547 1123 R HA 0.135 4.475 4.340 0.001 0.000 0.258 1123 R C -0.288 176.065 176.300 0.088 0.000 1.115 1123 R CA -0.022 56.132 56.100 0.089 0.000 1.152 1123 R CB -0.253 30.097 30.300 0.085 0.000 1.221 1123 R HN 0.238 nan 8.270 nan 0.000 0.539 1124 N N 0.485 119.248 118.700 0.105 0.000 2.417 1124 N HA 0.395 5.135 4.740 0.001 0.000 0.300 1124 N C -1.132 174.436 175.510 0.097 0.000 1.102 1124 N CA -0.552 52.554 53.050 0.094 0.000 0.886 1124 N CB 1.733 40.294 38.487 0.123 0.000 1.203 1124 N HN -0.116 nan 8.380 nan 0.000 0.496 1125 L N 1.325 122.585 121.223 0.062 0.000 2.325 1125 L HA 0.493 4.834 4.340 0.001 0.000 0.281 1125 L C 0.940 177.861 176.870 0.086 0.000 1.004 1125 L CA -0.353 54.531 54.840 0.073 0.000 0.823 1125 L CB 1.629 43.722 42.059 0.057 0.000 1.236 1125 L HN 0.931 nan 8.230 nan 0.000 0.415 1126 G N 2.157 111.028 108.800 0.118 0.000 2.175 1126 G HA2 -0.287 3.674 3.960 0.001 0.000 0.244 1126 G HA3 -0.287 3.674 3.960 0.001 0.000 0.244 1126 G C 0.521 175.500 174.900 0.130 0.000 0.982 1126 G CA 0.312 45.516 45.100 0.173 0.000 0.641 1126 G HN 0.549 nan 8.290 nan 0.000 0.527 1127 L N 1.277 122.562 121.223 0.103 0.000 2.191 1127 L HA 0.201 4.542 4.340 0.001 0.000 0.212 1127 L C 2.317 179.106 176.870 -0.135 0.000 1.103 1127 L CA 3.011 57.918 54.840 0.111 0.000 0.769 1127 L CB -0.260 41.966 42.059 0.278 0.000 0.908 1127 L HN 0.581 nan 8.230 nan 0.000 0.438 1128 E N -0.933 119.044 120.200 -0.372 0.000 2.076 1128 E HA -0.176 4.175 4.350 0.001 0.000 0.190 1128 E C 1.750 178.032 176.600 -0.529 0.000 0.979 1128 E CA 0.944 56.742 56.400 -1.004 0.000 0.807 1128 E CB 0.029 29.111 29.700 -1.031 0.000 0.761 1128 E HN 0.549 nan 8.360 nan 0.000 0.454 1129 E N 0.459 120.507 120.200 -0.253 0.000 2.077 1129 E HA -0.148 4.203 4.350 0.001 0.000 0.193 1129 E C 2.205 178.756 176.600 -0.082 0.000 0.989 1129 E CA 1.474 57.788 56.400 -0.143 0.000 0.800 1129 E CB -0.815 28.842 29.700 -0.072 0.000 0.746 1129 E HN 0.237 nan 8.360 nan 0.000 0.452 1130 T N 1.985 116.533 114.554 -0.010 0.000 2.684 1130 T HA -0.111 4.240 4.350 0.001 0.000 0.267 1130 T C 2.216 176.938 174.700 0.038 0.000 1.036 1130 T CA 1.653 63.792 62.100 0.065 0.000 1.148 1130 T CB -0.316 68.654 68.868 0.169 0.000 0.863 1130 T HN -0.006 nan 8.240 nan 0.000 0.436 1131 V N 1.298 121.212 119.914 0.000 0.000 2.358 1131 V HA -0.138 3.983 4.120 0.001 0.000 0.246 1131 V C 2.570 178.695 176.094 0.052 0.000 1.047 1131 V CA 1.546 63.883 62.300 0.062 0.000 1.035 1131 V CB -0.576 31.312 31.823 0.108 0.000 0.658 1131 V HN 0.380 nan 8.190 nan 0.000 0.452 1132 R N -0.044 120.452 120.500 -0.007 0.000 2.115 1132 R HA -0.133 4.208 4.340 0.001 0.000 0.230 1132 R C 2.457 178.772 176.300 0.025 0.000 1.111 1132 R CA 1.283 57.408 56.100 0.042 0.000 0.976 1132 R CB -0.274 30.004 30.300 -0.037 0.000 0.870 1132 R HN 0.321 nan 8.270 nan 0.000 0.445 1133 R N 1.323 121.825 120.500 0.003 0.000 2.236 1133 R HA 0.097 4.438 4.340 0.001 0.000 0.208 1133 R C 0.036 176.346 176.300 0.017 0.000 1.036 1133 R CA 0.657 56.759 56.100 0.004 0.000 1.001 1133 R CB -0.072 30.222 30.300 -0.009 0.000 0.896 1133 R HN 0.101 nan 8.270 nan 0.000 0.464 1134 A N 0.562 123.399 122.820 0.027 0.000 2.445 1134 A HA 0.112 4.432 4.320 0.001 0.000 0.242 1134 A C -0.002 177.585 177.584 0.005 0.000 1.075 1134 A CA 0.037 52.089 52.037 0.024 0.000 0.777 1134 A CB 0.281 19.299 19.000 0.030 0.000 1.013 1134 A HN 0.418 nan 8.150 nan 0.000 0.493 1135 D N 0.121 120.519 120.400 -0.003 0.000 2.366 1135 D HA 0.202 4.843 4.640 0.001 0.000 0.205 1135 D C -0.276 176.004 176.300 -0.033 0.000 1.022 1135 D CA 0.920 54.912 54.000 -0.013 0.000 0.868 1135 D CB 0.677 41.472 40.800 -0.009 0.000 0.953 1135 D HN 0.209 nan 8.370 nan 0.000 0.514 1136 V N 1.310 121.190 119.914 -0.056 0.000 2.851 1136 V HA 0.418 4.539 4.120 0.001 0.000 0.307 1136 V C -0.728 175.239 176.094 -0.211 0.000 1.129 1136 V CA -0.758 61.460 62.300 -0.137 0.000 0.932 1136 V CB 3.027 34.747 31.823 -0.173 0.000 1.024 1136 V HN -0.140 nan 8.190 nan 0.000 0.426 1137 I N 3.587 123.963 120.570 -0.324 0.000 2.647 1137 I HA 0.640 4.811 4.170 0.001 0.000 0.295 1137 I C -1.329 174.490 176.117 -0.498 0.000 1.078 1137 I CA -0.372 60.757 61.300 -0.284 0.000 1.048 1137 I CB 2.297 40.260 38.000 -0.061 0.000 1.239 1137 I HN 0.410 nan 8.210 nan 0.000 0.421 1138 F N 2.322 122.099 119.950 -0.288 0.000 2.603 1138 F HA 0.730 5.258 4.527 0.002 0.000 0.317 1138 F C 0.147 175.861 175.800 -0.145 0.000 1.066 1138 F CA -0.475 57.384 58.000 -0.234 0.000 0.941 1138 F CB 2.386 40.976 39.000 -0.684 0.000 1.291 1138 F HN 0.499 nan 8.300 nan 0.000 0.472 1139 S N -0.925 114.972 115.700 0.328 0.000 2.625 1139 S HA 0.371 4.842 4.470 0.001 0.000 0.271 1139 S C -0.397 174.240 174.600 0.063 0.000 1.161 1139 S CA -0.788 57.499 58.200 0.145 0.000 0.820 1139 S CB 1.487 64.766 63.200 0.131 0.000 1.137 1139 S HN 0.682 nan 8.310 nan 0.000 0.470 1140 H N 0.510 119.583 119.070 0.005 0.000 2.529 1140 H HA 0.369 4.926 4.556 0.002 0.000 0.277 1140 H C 0.495 175.807 175.328 -0.027 0.000 0.999 1140 H CA 1.352 57.298 56.048 -0.170 0.000 1.256 1140 H CB 0.373 30.087 29.762 -0.080 0.000 1.402 1140 H HN 0.645 nan 8.280 nan 0.000 0.566 1141 S N -0.135 115.662 115.700 0.163 0.000 2.562 1141 S HA 0.117 4.588 4.470 0.001 0.000 0.274 1141 S C 0.032 174.696 174.600 0.107 0.000 1.160 1141 S CA -0.830 57.444 58.200 0.123 0.000 0.933 1141 S CB 1.350 64.631 63.200 0.134 0.000 1.100 1141 S HN 0.014 nan 8.310 nan 0.000 0.468 1142 D N 2.495 122.933 120.400 0.064 0.000 2.263 1142 D HA -0.033 4.608 4.640 0.001 0.000 0.208 1142 D C 0.662 176.972 176.300 0.018 0.000 0.971 1142 D CA 0.857 54.880 54.000 0.037 0.000 0.867 1142 D CB 0.075 40.882 40.800 0.011 0.000 0.929 1142 D HN 0.525 nan 8.370 nan 0.000 0.492 1143 N N 0.364 119.070 118.700 0.010 0.000 2.214 1143 N HA 0.093 4.834 4.740 0.001 0.000 0.214 1143 N C 0.796 176.278 175.510 -0.046 0.000 1.132 1143 N CA -0.059 52.973 53.050 -0.030 0.000 0.856 1143 N CB 1.325 39.780 38.487 -0.053 0.000 1.020 1143 N HN 0.006 nan 8.380 nan 0.000 0.509 1144 G N 0.176 109.002 108.800 0.043 0.000 2.562 1144 G HA2 0.055 4.016 3.960 0.001 0.000 0.275 1144 G HA3 0.055 4.016 3.960 0.001 0.000 0.275 1144 G C 0.600 175.567 174.900 0.111 0.000 1.196 1144 G CA -0.262 44.907 45.100 0.115 0.000 0.908 1144 G HN -0.062 nan 8.290 nan 0.000 0.524 1145 D N -0.344 120.178 120.400 0.203 0.000 2.123 1145 D HA -0.174 4.467 4.640 0.001 0.000 0.196 1145 D C 1.934 178.300 176.300 0.110 0.000 0.992 1145 D CA 0.993 55.079 54.000 0.143 0.000 0.833 1145 D CB -0.238 40.704 40.800 0.237 0.000 0.954 1145 D HN 0.307 nan 8.370 nan 0.000 0.455 1146 F N 1.692 121.674 119.950 0.053 0.000 2.120 1146 F HA -0.266 4.262 4.527 0.001 0.000 0.300 1146 F C 1.766 177.545 175.800 -0.035 0.000 1.095 1146 F CA 1.534 59.539 58.000 0.009 0.000 1.249 1146 F CB -0.198 38.839 39.000 0.061 0.000 0.995 1146 F HN -0.117 nan 8.300 nan 0.000 0.480 1147 N N 0.096 118.826 118.700 0.050 0.000 2.148 1147 N HA -0.094 4.647 4.740 0.001 0.000 0.186 1147 N C 1.646 177.071 175.510 -0.142 0.000 1.031 1147 N CA 1.272 54.280 53.050 -0.070 0.000 0.848 1147 N CB -0.232 38.282 38.487 0.046 0.000 1.005 1147 N HN 0.045 nan 8.380 nan 0.000 0.427 1148 K N 0.267 120.611 120.400 -0.093 0.000 2.228 1148 K HA 0.077 4.397 4.320 0.001 0.000 0.202 1148 K C 1.761 178.279 176.600 -0.136 0.000 1.051 1148 K CA 0.431 56.655 56.287 -0.105 0.000 0.960 1148 K CB -0.341 32.110 32.500 -0.081 0.000 0.743 1148 K HN 0.224 nan 8.250 nan 0.000 0.458 1149 V N -0.903 118.912 119.914 -0.164 0.000 2.840 1149 V HA 0.090 4.211 4.120 0.001 0.000 0.234 1149 V C 1.837 177.728 176.094 -0.339 0.000 1.159 1149 V CA 0.169 62.353 62.300 -0.193 0.000 1.194 1149 V CB -0.172 31.576 31.823 -0.125 0.000 0.971 1149 V HN 0.072 nan 8.190 nan 0.000 0.494 1150 L N 0.063 121.011 121.223 -0.458 0.000 2.083 1150 L HA -0.078 4.263 4.340 0.001 0.000 0.209 1150 L C 2.716 178.884 176.870 -1.171 0.000 1.083 1150 L CA 1.629 55.943 54.840 -0.877 0.000 0.752 1150 L CB -0.432 41.096 42.059 -0.886 0.000 0.899 1150 L HN 0.350 nan 8.230 nan 0.000 0.433 1151 M N -0.709 118.425 119.600 -0.776 0.000 2.557 1151 M HA -0.137 4.344 4.480 0.001 0.000 0.259 1151 M C 1.937 178.137 176.300 -0.167 0.000 1.086 1151 M CA 1.177 56.231 55.300 -0.411 0.000 1.096 1151 M CB -0.646 31.738 32.600 -0.360 0.000 1.424 1151 M HN 0.042 nan 8.290 nan 0.000 0.488 1152 K N 0.689 120.936 120.400 -0.255 0.000 2.211 1152 K HA 0.010 4.331 4.320 0.001 0.000 0.201 1152 K C 1.640 178.161 176.600 -0.131 0.000 1.052 1152 K CA 0.912 57.119 56.287 -0.133 0.000 0.973 1152 K CB 0.179 32.596 32.500 -0.139 0.000 0.766 1152 K HN 0.292 nan 8.250 nan 0.000 0.466 1153 E N -1.077 118.948 120.200 -0.292 0.000 2.204 1153 E HA -0.141 4.210 4.350 0.001 0.000 0.194 1153 E C 0.960 177.513 176.600 -0.079 0.000 0.989 1153 E CA 0.725 56.977 56.400 -0.247 0.000 0.824 1153 E CB 0.024 29.491 29.700 -0.389 0.000 0.756 1153 E HN 0.412 nan 8.360 nan 0.000 0.477 1154 W N -0.963 120.314 121.300 -0.039 0.000 2.872 1154 W HA 0.126 4.787 4.660 0.001 0.000 0.266 1154 W C 0.290 176.559 176.519 -0.417 0.000 1.276 1154 W CA -0.025 57.211 57.345 -0.182 0.000 1.471 1154 W CB -0.021 29.361 29.460 -0.130 0.000 1.071 1154 W HN -0.007 nan 8.180 nan 0.000 0.619 1155 Y N 1.751 122.127 120.300 0.127 0.000 2.511 1155 Y HA 0.277 4.828 4.550 0.001 0.000 0.356 1155 Y C -1.607 174.296 175.900 0.005 0.000 1.002 1155 Y CA -2.124 56.010 58.100 0.057 0.000 1.127 1155 Y CB -0.316 38.168 38.460 0.041 0.000 1.137 1155 Y HN -0.303 nan 8.280 nan 0.000 0.652 1167 E N 0.305 120.572 120.200 0.111 0.000 7.494 1167 E HA -0.040 4.310 4.350 0.001 0.000 0.356 1167 E C -1.290 175.362 176.600 0.086 0.000 0.670 1167 E CA 0.911 57.355 56.400 0.073 0.000 1.219 1167 E CB -0.738 28.980 29.700 0.031 0.000 0.933 1167 E HN 0.946 nan 8.360 nan 0.000 0.264 1168 A N 5.809 128.586 122.820 -0.072 0.000 2.301 1168 A HA 0.713 5.033 4.320 0.001 0.000 0.298 1168 A C -2.144 175.179 177.584 -0.435 0.000 1.185 1168 A CA -1.042 50.700 52.037 -0.491 0.000 0.830 1168 A CB 0.552 19.314 19.000 -0.398 0.000 1.112 1168 A HN 0.447 nan 8.150 nan 0.000 0.508 1169 P HA 0.132 nan 4.420 nan 0.000 0.269 1169 P C 0.090 177.203 177.300 -0.311 0.000 1.211 1169 P CA 0.242 63.147 63.100 -0.326 0.000 0.781 1169 P CB 0.319 31.849 31.700 -0.284 0.000 0.877 1170 T N 0.851 115.220 114.554 -0.308 0.000 2.913 1170 T HA 0.280 4.631 4.350 0.001 0.000 0.297 1170 T C -0.073 174.348 174.700 -0.463 0.000 1.029 1170 T CA -0.181 61.667 62.100 -0.420 0.000 1.104 1170 T CB 0.341 68.845 68.868 -0.606 0.000 0.964 1170 T HN 0.036 nan 8.240 nan 0.000 0.532 1171 V N 3.550 123.216 119.914 -0.415 0.000 2.376 1171 V HA 0.332 4.453 4.120 0.001 0.000 0.287 1171 V C -0.980 174.938 176.094 -0.292 0.000 1.015 1171 V CA -0.916 61.228 62.300 -0.260 0.000 0.834 1171 V CB 0.403 32.214 31.823 -0.021 0.000 1.001 1171 V HN 0.761 nan 8.190 nan 0.000 0.428 1172 Y N 2.931 123.113 120.300 -0.197 0.000 2.307 1172 Y HA 0.309 4.859 4.550 0.000 0.000 0.324 1172 Y C 0.937 176.917 175.900 0.133 0.000 1.238 1172 Y CA -0.278 57.766 58.100 -0.094 0.000 1.280 1172 Y CB 0.702 39.021 38.460 -0.236 0.000 1.248 1172 Y HN 0.583 nan 8.280 nan 0.000 0.508 1173 N N 2.232 121.147 118.700 0.357 0.000 2.509 1173 N HA 0.327 5.068 4.740 0.001 0.000 0.287 1173 N C -1.382 174.378 175.510 0.415 0.000 1.121 1173 N CA -0.134 53.097 53.050 0.302 0.000 0.977 1173 N CB 0.882 39.455 38.487 0.144 0.000 1.167 1173 N HN 0.609 nan 8.380 nan 0.000 0.476 1174 F N -0.303 119.701 119.950 0.090 0.000 2.692 1174 F HA 0.511 5.039 4.527 0.001 0.000 0.320 1174 F C -1.373 174.391 175.800 -0.060 0.000 1.123 1174 F CA -0.957 57.029 58.000 -0.024 0.000 0.961 1174 F CB 1.254 40.160 39.000 -0.157 0.000 1.383 1174 F HN 0.291 nan 8.300 nan 0.000 0.483 1175 Q N 1.763 121.440 119.800 -0.205 0.000 2.356 1175 Q HA 0.402 4.743 4.340 0.001 0.000 0.270 1175 Q C -2.784 173.149 176.000 -0.110 0.000 1.058 1175 Q CA -2.334 53.291 55.803 -0.297 0.000 0.802 1175 Q CB 2.866 31.465 28.738 -0.231 0.000 1.303 1175 Q HN 0.376 nan 8.270 nan 0.000 0.444 1176 P HA 0.168 nan 4.420 nan 0.000 0.277 1176 P C -2.692 174.538 177.300 -0.117 0.000 1.354 1176 P CA -1.386 61.776 63.100 0.104 0.000 0.891 1176 P CB 0.520 32.203 31.700 -0.028 0.000 1.058 1177 P HA 0.455 nan 4.420 nan 0.000 0.278 1177 P C -0.363 177.062 177.300 0.209 0.000 1.266 1177 P CA -0.566 62.436 63.100 -0.163 0.000 0.807 1177 P CB 0.908 32.257 31.700 -0.585 0.000 1.094 1178 M N 0.357 120.076 119.600 0.199 0.000 2.471 1178 M HA 0.310 4.791 4.480 0.001 0.000 0.284 1178 M C -1.609 174.810 176.300 0.199 0.000 1.203 1178 M CA -0.736 54.752 55.300 0.313 0.000 0.915 1178 M CB 2.233 35.088 32.600 0.425 0.000 1.734 1178 M HN 0.080 nan 8.290 nan 0.000 0.485 1179 D N 4.204 124.726 120.400 0.203 0.000 2.455 1179 D HA 0.215 4.856 4.640 0.001 0.000 0.234 1179 D C 1.018 177.435 176.300 0.196 0.000 1.224 1179 D CA 0.153 54.256 54.000 0.171 0.000 0.999 1179 D CB 0.008 40.900 40.800 0.154 0.000 1.072 1179 D HN 0.675 nan 8.370 nan 0.000 0.514 1180 I N 2.388 123.078 120.570 0.200 0.000 2.264 1180 I HA -0.298 3.873 4.170 0.001 0.000 0.248 1180 I C 2.244 178.558 176.117 0.329 0.000 1.111 1180 I CA 0.582 62.031 61.300 0.248 0.000 1.382 1180 I CB 0.062 38.167 38.000 0.175 0.000 1.060 1180 I HN 0.268 nan 8.210 nan 0.000 0.418 1181 V N 0.971 121.070 119.914 0.308 0.000 2.343 1181 V HA -0.323 3.797 4.120 0.001 0.000 0.247 1181 V C 2.544 178.757 176.094 0.197 0.000 1.051 1181 V CA 1.962 64.421 62.300 0.266 0.000 1.036 1181 V CB -0.788 31.142 31.823 0.177 0.000 0.654 1181 V HN 0.443 nan 8.190 nan 0.000 0.451 1182 K N 0.053 120.560 120.400 0.178 0.000 2.044 1182 K HA -0.198 4.123 4.320 0.001 0.000 0.210 1182 K C 2.101 178.828 176.600 0.212 0.000 1.049 1182 K CA 1.983 58.362 56.287 0.154 0.000 0.927 1182 K CB -0.255 32.330 32.500 0.142 0.000 0.713 1182 K HN 0.339 nan 8.250 nan 0.000 0.443 1183 V N 1.341 121.425 119.914 0.284 0.000 2.261 1183 V HA -0.255 3.866 4.120 0.001 0.000 0.246 1183 V C 2.631 178.986 176.094 0.436 0.000 1.047 1183 V CA 2.205 64.743 62.300 0.396 0.000 1.015 1183 V CB -0.635 31.386 31.823 0.329 0.000 0.642 1183 V HN 0.453 nan 8.190 nan 0.000 0.446 1184 R N 0.485 121.218 120.500 0.387 0.000 2.103 1184 R HA -0.227 4.114 4.340 0.001 0.000 0.234 1184 R C 2.529 178.956 176.300 0.212 0.000 1.132 1184 R CA 2.311 58.620 56.100 0.348 0.000 0.925 1184 R CB -0.857 29.516 30.300 0.120 0.000 0.842 1184 R HN 0.456 nan 8.270 nan 0.000 0.430 1185 S N -1.237 114.516 115.700 0.089 0.000 2.488 1185 S HA -0.114 4.357 4.470 0.001 0.000 0.246 1185 S C 1.257 175.878 174.600 0.035 0.000 0.992 1185 S CA 1.803 60.016 58.200 0.023 0.000 0.963 1185 S CB -0.185 63.016 63.200 0.001 0.000 0.754 1185 S HN 0.611 nan 8.310 nan 0.000 0.519 1186 T N -0.646 113.951 114.554 0.071 0.000 3.034 1186 T HA 0.256 4.607 4.350 0.001 0.000 0.248 1186 T C 0.595 175.133 174.700 -0.269 0.000 1.040 1186 T CA 0.408 62.431 62.100 -0.128 0.000 1.107 1186 T CB -0.044 68.696 68.868 -0.213 0.000 0.932 1186 T HN 0.568 nan 8.240 nan 0.000 0.474 1187 Y N -1.292 119.093 120.300 0.141 0.000 2.452 1187 Y HA 0.354 4.905 4.550 0.001 0.000 0.262 1187 Y C 0.744 176.734 175.900 0.150 0.000 1.089 1187 Y CA -1.806 56.366 58.100 0.121 0.000 1.262 1187 Y CB 0.267 38.784 38.460 0.095 0.000 1.236 1187 Y HN 0.179 nan 8.280 nan 0.000 0.512 1188 W N 4.386 125.771 121.300 0.143 0.000 2.391 1188 W HA -0.003 4.658 4.660 0.001 0.000 0.339 1188 W C -0.342 176.199 176.519 0.037 0.000 1.252 1188 W CA 1.126 58.507 57.345 0.061 0.000 1.304 1188 W CB 0.601 30.057 29.460 -0.007 0.000 1.179 1188 W HN -0.081 nan 8.180 nan 0.000 0.567 1189 K N 3.695 124.049 120.400 -0.076 0.000 2.350 1189 K HA 0.170 4.491 4.320 0.001 0.000 0.241 1189 K C -0.383 176.216 176.600 -0.002 0.000 0.994 1189 K CA -0.830 55.455 56.287 -0.002 0.000 0.839 1189 K CB 1.084 33.551 32.500 -0.055 0.000 1.244 1189 K HN 0.437 nan 8.250 nan 0.000 0.443 1190 D N 0.705 121.133 120.400 0.047 0.000 2.372 1190 D HA 0.007 4.648 4.640 0.001 0.000 0.243 1190 D C 1.034 177.331 176.300 -0.005 0.000 1.121 1190 D CA -0.064 53.970 54.000 0.058 0.000 0.898 1190 D CB 1.363 42.190 40.800 0.046 0.000 1.202 1190 D HN 0.127 nan 8.370 nan 0.000 0.428 1191 V N 2.802 122.724 119.914 0.013 0.000 2.794 1191 V HA -0.257 3.863 4.120 0.001 0.000 0.260 1191 V C 2.358 178.395 176.094 -0.094 0.000 1.103 1191 V CA 1.953 64.231 62.300 -0.036 0.000 1.125 1191 V CB -1.068 30.764 31.823 0.015 0.000 0.702 1191 V HN 0.615 nan 8.190 nan 0.000 0.494 1192 S N 0.231 115.898 115.700 -0.055 0.000 2.414 1192 S HA -0.112 4.359 4.470 0.001 0.000 0.227 1192 S C 1.640 176.201 174.600 -0.066 0.000 1.022 1192 S CA 0.906 59.071 58.200 -0.059 0.000 0.958 1192 S CB -0.336 62.846 63.200 -0.030 0.000 0.797 1192 S HN 0.700 nan 8.310 nan 0.000 0.493 1193 E N 0.616 120.780 120.200 -0.059 0.000 2.511 1193 E HA 0.234 4.584 4.350 0.001 0.000 0.196 1193 E C -0.207 176.347 176.600 -0.077 0.000 1.066 1193 E CA 0.004 56.371 56.400 -0.054 0.000 0.871 1193 E CB -0.043 29.636 29.700 -0.035 0.000 0.863 1193 E HN 0.620 nan 8.360 nan 0.000 0.520 1194 I N 1.808 122.305 120.570 -0.121 0.000 2.428 1194 I HA 0.042 4.213 4.170 0.001 0.000 0.289 1194 I C 0.430 176.461 176.117 -0.143 0.000 1.019 1194 I CA -0.478 60.730 61.300 -0.154 0.000 1.351 1194 I CB 0.771 38.622 38.000 -0.249 0.000 1.412 1194 I HN -0.080 nan 8.210 nan 0.000 0.513 1195 N N 7.537 126.181 118.700 -0.092 0.000 2.645 1195 N HA 0.117 4.858 4.740 0.001 0.000 0.233 1195 N C 0.689 176.188 175.510 -0.018 0.000 1.058 1195 N CA -0.402 52.621 53.050 -0.046 0.000 0.942 1195 N CB 0.846 39.328 38.487 -0.008 0.000 1.210 1195 N HN 0.563 nan 8.380 nan 0.000 0.512 1196 M N 1.321 120.894 119.600 -0.046 0.000 2.703 1196 M HA -0.093 4.388 4.480 0.001 0.000 0.253 1196 M C 0.308 176.747 176.300 0.231 0.000 1.060 1196 M CA 0.709 56.041 55.300 0.053 0.000 1.059 1196 M CB -0.614 31.988 32.600 0.003 0.000 1.399 1196 M HN 0.370 nan 8.290 nan 0.000 0.526 1197 N N 0.092 118.890 118.700 0.163 0.000 2.205 1197 N HA 0.274 5.015 4.740 0.001 0.000 0.201 1197 N C -0.051 175.581 175.510 0.203 0.000 1.128 1197 N CA 0.118 53.282 53.050 0.189 0.000 0.867 1197 N CB 1.324 39.886 38.487 0.125 0.000 0.996 1197 N HN 0.336 nan 8.380 nan 0.000 0.503 1198 I N 1.663 122.356 120.570 0.205 0.000 2.330 1198 I HA 0.178 4.349 4.170 0.001 0.000 0.289 1198 I C -0.690 175.606 176.117 0.299 0.000 1.001 1198 I CA -0.594 60.820 61.300 0.190 0.000 1.193 1198 I CB 0.800 38.864 38.000 0.107 0.000 1.345 1198 I HN -0.206 nan 8.210 nan 0.000 0.461 1199 N N 6.232 125.130 118.700 0.329 0.000 2.425 1199 N HA 0.424 5.165 4.740 0.001 0.000 0.268 1199 N C -0.641 175.068 175.510 0.332 0.000 0.991 1199 N CA -0.693 52.655 53.050 0.497 0.000 0.931 1199 N CB 1.341 40.117 38.487 0.483 0.000 1.130 1199 N HN 0.448 nan 8.380 nan 0.000 0.493 1200 R N 2.049 122.787 120.500 0.397 0.000 2.360 1200 R HA 0.317 4.658 4.340 0.001 0.000 0.318 1200 R C -1.526 174.976 176.300 0.337 0.000 0.950 1200 R CA -0.737 55.513 56.100 0.251 0.000 0.837 1200 R CB 0.962 31.330 30.300 0.114 0.000 1.165 1200 R HN 0.636 nan 8.270 nan 0.000 0.458 1201 W N 7.582 128.908 121.300 0.044 0.000 2.496 1201 W HA 0.512 5.173 4.660 0.002 0.000 0.327 1201 W C -0.862 175.629 176.519 -0.047 0.000 1.086 1201 W CA -0.671 56.690 57.345 0.026 0.000 1.222 1201 W CB 0.822 30.225 29.460 -0.095 0.000 1.304 1201 W HN 0.494 nan 8.180 nan 0.000 0.547 1202 I N 4.536 124.681 120.570 -0.710 0.000 2.730 1202 I HA 1.025 5.196 4.170 0.001 0.000 0.298 1202 I C 0.080 175.450 176.117 -1.246 0.000 1.089 1202 I CA -0.752 60.147 61.300 -0.670 0.000 1.041 1202 I CB 1.859 39.626 38.000 -0.389 0.000 1.235 1202 I HN 0.744 nan 8.210 nan 0.000 0.423 1203 G N 4.512 112.854 108.800 -0.764 0.000 2.404 1203 G HA2 0.398 4.359 3.960 0.001 0.000 0.253 1203 G HA3 0.398 4.359 3.960 0.001 0.000 0.253 1203 G C -1.549 173.263 174.900 -0.146 0.000 1.253 1203 G CA -0.997 43.744 45.100 -0.599 0.000 0.917 1203 G HN 0.756 nan 8.290 nan 0.000 0.480 1204 R N -1.249 119.211 120.500 -0.068 0.000 2.869 1204 R HA 0.620 4.961 4.340 0.001 0.000 0.263 1204 R C -0.923 175.336 176.300 -0.069 0.000 1.066 1204 R CA -0.767 55.304 56.100 -0.048 0.000 0.960 1204 R CB 1.573 31.798 30.300 -0.126 0.000 1.221 1204 R HN 0.387 nan 8.270 nan 0.000 0.474 1205 T N 1.387 115.845 114.554 -0.161 0.000 3.781 1205 T HA 0.126 4.477 4.350 0.001 0.000 0.286 1205 T C -0.394 174.139 174.700 -0.280 0.000 1.277 1205 T CA 0.493 62.372 62.100 -0.368 0.000 1.136 1205 T CB -0.218 68.498 68.868 -0.252 0.000 1.202 1205 T HN 0.341 nan 8.240 nan 0.000 0.884 1206 T N 1.264 115.685 114.554 -0.222 0.000 3.071 1206 T HA 0.300 4.651 4.350 0.001 0.000 0.311 1206 T C 1.627 176.365 174.700 0.063 0.000 1.042 1206 T CA -0.329 61.702 62.100 -0.116 0.000 1.028 1206 T CB 1.127 69.790 68.868 -0.341 0.000 1.068 1206 T HN 0.512 nan 8.240 nan 0.000 0.451 1207 T N 1.862 116.568 114.554 0.254 0.000 2.668 1207 T HA -0.204 4.147 4.350 0.001 0.000 0.265 1207 T C 1.891 176.616 174.700 0.042 0.000 1.041 1207 T CA 2.137 64.337 62.100 0.166 0.000 1.160 1207 T CB -0.644 68.343 68.868 0.198 0.000 0.857 1207 T HN 0.871 nan 8.240 nan 0.000 0.455 1208 W N 1.169 122.480 121.300 0.019 0.000 2.961 1208 W HA 0.401 5.062 4.660 0.002 0.000 0.240 1208 W C 1.083 177.555 176.519 -0.079 0.000 1.305 1208 W CA 0.156 57.455 57.345 -0.076 0.000 1.465 1208 W CB -0.582 28.827 29.460 -0.084 0.000 1.135 1208 W HN 0.188 nan 8.180 nan 0.000 0.688 1209 K N 1.061 121.289 120.400 -0.288 0.000 2.458 1209 K HA 0.195 4.516 4.320 0.001 0.000 0.194 1209 K C 1.577 178.240 176.600 0.105 0.000 1.024 1209 K CA 0.599 56.774 56.287 -0.186 0.000 1.108 1209 K CB -0.640 31.735 32.500 -0.208 0.000 0.846 1209 K HN 0.173 nan 8.250 nan 0.000 0.518 1210 G N 1.606 110.365 108.800 -0.068 0.000 2.379 1210 G HA2 -0.313 3.648 3.960 0.001 0.000 0.297 1210 G HA3 -0.313 3.648 3.960 0.001 0.000 0.297 1210 G C 0.533 175.385 174.900 -0.080 0.000 1.004 1210 G CA 0.814 45.826 45.100 -0.147 0.000 0.921 1210 G HN 0.502 nan 8.290 nan 0.000 0.511 1211 F N -2.365 117.465 119.950 -0.200 0.000 2.206 1211 F HA 0.124 4.651 4.527 0.001 0.000 0.298 1211 F C 2.298 177.831 175.800 -0.445 0.000 1.090 1211 F CA 0.921 58.516 58.000 -0.676 0.000 1.323 1211 F CB -0.737 37.787 39.000 -0.793 0.000 1.028 1211 F HN 0.246 nan 8.300 nan 0.000 0.492 1212 Y N 1.736 121.572 120.300 -0.775 0.000 2.097 1212 Y HA -0.266 4.285 4.550 0.001 0.000 0.282 1212 Y C 2.787 178.654 175.900 -0.055 0.000 1.152 1212 Y CA 1.096 59.016 58.100 -0.299 0.000 1.136 1212 Y CB -0.431 37.779 38.460 -0.416 0.000 0.975 1212 Y HN 0.129 nan 8.280 nan 0.000 0.498 1213 Q N -0.412 119.446 119.800 0.098 0.000 2.297 1213 Q HA -0.227 4.114 4.340 0.001 0.000 0.208 1213 Q C 2.008 178.095 176.000 0.145 0.000 0.981 1213 Q CA 1.369 57.292 55.803 0.200 0.000 0.876 1213 Q CB -0.700 28.218 28.738 0.300 0.000 0.921 1213 Q HN 0.543 nan 8.270 nan 0.000 0.446 1214 M N 0.036 119.579 119.600 -0.095 0.000 2.156 1214 M HA 0.008 4.489 4.480 0.001 0.000 0.264 1214 M C 1.458 177.767 176.300 0.015 0.000 1.067 1214 M CA 1.143 56.331 55.300 -0.187 0.000 1.131 1214 M CB -0.254 31.945 32.600 -0.669 0.000 1.368 1214 M HN 0.004 nan 8.290 nan 0.000 0.416 1215 F N 0.607 120.566 119.950 0.015 0.000 2.102 1215 F HA -0.207 4.321 4.527 0.001 0.000 0.298 1215 F C 2.388 178.297 175.800 0.181 0.000 1.105 1215 F CA 1.934 59.992 58.000 0.096 0.000 1.239 1215 F CB -1.239 37.825 39.000 0.107 0.000 0.991 1215 F HN 0.250 nan 8.300 nan 0.000 0.474 1216 D N -0.471 120.173 120.400 0.406 0.000 2.104 1216 D HA -0.260 4.381 4.640 0.001 0.000 0.194 1216 D C 2.188 178.726 176.300 0.396 0.000 0.994 1216 D CA 1.121 55.321 54.000 0.333 0.000 0.830 1216 D CB -0.513 40.475 40.800 0.314 0.000 0.959 1216 D HN 0.199 nan 8.370 nan 0.000 0.452 1217 F N 0.613 120.747 119.950 0.307 0.000 2.216 1217 F HA -0.135 4.393 4.527 0.002 0.000 0.300 1217 F C 2.304 178.270 175.800 0.277 0.000 1.085 1217 F CA 1.563 59.773 58.000 0.350 0.000 1.326 1217 F CB -0.375 38.859 39.000 0.389 0.000 1.027 1217 F HN 0.170 nan 8.300 nan 0.000 0.497 1218 H N -0.099 119.058 119.070 0.145 0.000 2.343 1218 H HA -0.128 4.428 4.556 0.001 0.000 0.303 1218 H C 2.157 177.460 175.328 -0.041 0.000 1.068 1218 H CA 1.652 57.699 56.048 -0.001 0.000 1.359 1218 H CB -0.236 29.573 29.762 0.078 0.000 1.402 1218 H HN 0.475 nan 8.280 nan 0.000 0.515 1219 E N 0.622 120.810 120.200 -0.020 0.000 2.204 1219 E HA -0.120 4.231 4.350 0.001 0.000 0.194 1219 E C 1.659 178.128 176.600 -0.219 0.000 0.989 1219 E CA 0.882 57.210 56.400 -0.120 0.000 0.824 1219 E CB 0.225 29.942 29.700 0.029 0.000 0.756 1219 E HN 0.435 nan 8.360 nan 0.000 0.477 1220 K N -1.467 118.805 120.400 -0.214 0.000 2.348 1220 K HA 0.100 4.421 4.320 0.001 0.000 0.194 1220 K C 0.809 176.853 176.600 -0.927 0.000 1.052 1220 K CA 0.300 56.313 56.287 -0.457 0.000 1.004 1220 K CB 0.450 32.755 32.500 -0.325 0.000 0.873 1220 K HN 0.092 nan 8.250 nan 0.000 0.523 1221 F N -0.611 118.944 119.950 -0.659 0.000 2.347 1221 F HA 0.166 4.694 4.527 0.001 0.000 0.266 1221 F C 1.687 176.819 175.800 -1.112 0.000 0.884 1221 F CA -0.315 57.043 58.000 -1.070 0.000 1.123 1221 F CB -0.182 37.889 39.000 -1.548 0.000 1.098 1221 F HN -0.242 nan 8.300 nan 0.000 0.803 1222 L N 0.527 121.327 121.223 -0.705 0.000 2.005 1222 L HA -0.160 4.181 4.340 0.001 0.000 0.207 1222 L C 2.452 179.158 176.870 -0.272 0.000 1.072 1222 L CA 1.661 56.294 54.840 -0.346 0.000 0.744 1222 L CB -0.576 41.447 42.059 -0.060 0.000 0.895 1222 L HN 0.082 nan 8.230 nan 0.000 0.433 1223 K N 0.844 120.929 120.400 -0.526 0.000 2.001 1223 K HA -0.163 4.158 4.320 0.001 0.000 0.214 1223 K C -0.613 175.833 176.600 -0.258 0.000 1.050 1223 K CA 1.762 57.766 56.287 -0.471 0.000 0.934 1223 K CB -1.398 30.625 32.500 -0.794 0.000 0.718 1223 K HN 0.071 nan 8.250 nan 0.000 0.443 1224 P HA -0.098 nan 4.420 nan 0.000 0.223 1224 P C 0.054 177.270 177.300 -0.139 0.000 1.144 1224 P CA 1.594 64.563 63.100 -0.218 0.000 0.783 1224 P CB 0.026 31.549 31.700 -0.295 0.000 0.771 1225 A N -1.593 121.155 122.820 -0.119 0.000 2.348 1225 A HA 0.553 4.873 4.320 0.001 0.000 0.224 1225 A C 1.551 179.169 177.584 0.057 0.000 1.227 1225 A CA 0.504 52.556 52.037 0.026 0.000 0.885 1225 A CB -0.688 18.439 19.000 0.211 0.000 0.933 1225 A HN 0.206 nan 8.150 nan 0.000 0.506 1226 G N -0.297 108.511 108.800 0.014 0.000 2.157 1226 G HA2 -0.205 3.756 3.960 0.001 0.000 0.239 1226 G HA3 -0.205 3.756 3.960 0.001 0.000 0.239 1226 G C 0.125 175.070 174.900 0.075 0.000 0.982 1226 G CA 0.282 45.406 45.100 0.041 0.000 0.650 1226 G HN 0.387 nan 8.290 nan 0.000 0.527 1227 K N 0.600 121.054 120.400 0.090 0.000 2.090 1227 K HA 0.705 5.025 4.320 0.001 0.000 0.250 1227 K C 0.165 176.867 176.600 0.169 0.000 1.004 1227 K CA -0.259 56.115 56.287 0.145 0.000 0.919 1227 K CB 1.265 33.878 32.500 0.189 0.000 1.045 1227 K HN 0.157 nan 8.250 nan 0.000 0.471 1228 S N 0.238 116.048 115.700 0.183 0.000 2.503 1228 S HA 0.446 4.917 4.470 0.001 0.000 0.301 1228 S C -0.586 174.103 174.600 0.148 0.000 1.087 1228 S CA -0.678 57.627 58.200 0.175 0.000 1.042 1228 S CB 1.587 64.852 63.200 0.107 0.000 1.043 1228 S HN 0.419 nan 8.310 nan 0.000 0.489 1229 T N 2.295 116.865 114.554 0.027 0.000 2.824 1229 T HA 0.564 4.915 4.350 0.001 0.000 0.282 1229 T C -0.814 173.811 174.700 -0.124 0.000 0.993 1229 T CA -0.421 61.620 62.100 -0.098 0.000 0.967 1229 T CB 1.199 69.851 68.868 -0.360 0.000 0.960 1229 T HN 0.339 nan 8.240 nan 0.000 0.441 1230 V N 4.760 124.644 119.914 -0.050 0.000 2.540 1230 V HA 0.536 4.656 4.120 0.001 0.000 0.302 1230 V C -0.423 175.669 176.094 -0.003 0.000 1.035 1230 V CA -0.739 61.532 62.300 -0.049 0.000 0.873 1230 V CB 1.777 33.578 31.823 -0.038 0.000 0.992 1230 V HN 0.861 nan 8.190 nan 0.000 0.428 1231 M N 4.417 124.003 119.600 -0.022 0.000 2.085 1231 M HA 0.478 4.959 4.480 0.001 0.000 0.309 1231 M C -0.545 175.831 176.300 0.128 0.000 0.947 1231 M CA -0.258 55.102 55.300 0.100 0.000 0.918 1231 M CB 1.651 34.128 32.600 -0.205 0.000 1.504 1231 M HN 0.592 nan 8.290 nan 0.000 0.420 1232 E N 1.297 121.610 120.200 0.187 0.000 2.175 1232 E HA 0.557 4.908 4.350 0.001 0.000 0.278 1232 E C 0.708 177.468 176.600 0.266 0.000 0.969 1232 E CA -0.184 56.278 56.400 0.103 0.000 0.796 1232 E CB 1.663 31.284 29.700 -0.132 0.000 1.104 1232 E HN 0.988 nan 8.360 nan 0.000 0.395 1233 G N 2.824 111.788 108.800 0.274 0.000 2.163 1233 G HA2 -0.219 3.742 3.960 0.001 0.000 0.213 1233 G HA3 -0.219 3.742 3.960 0.001 0.000 0.213 1233 G C 0.018 174.990 174.900 0.120 0.000 0.991 1233 G CA -0.587 44.647 45.100 0.223 0.000 0.653 1233 G HN 0.442 nan 8.290 nan 0.000 0.518 1234 L N 1.767 123.051 121.223 0.102 0.000 2.290 1234 L HA 0.492 4.833 4.340 0.001 0.000 0.284 1234 L C 0.448 177.361 176.870 0.072 0.000 1.078 1234 L CA -0.552 54.324 54.840 0.059 0.000 0.815 1234 L CB 1.023 43.104 42.059 0.037 0.000 1.162 1234 L HN 0.462 nan 8.230 nan 0.000 0.435 1235 E N 5.044 125.257 120.200 0.023 0.000 2.244 1235 E HA 0.263 4.614 4.350 0.001 0.000 0.266 1235 E C -0.622 175.875 176.600 -0.171 0.000 0.914 1235 E CA -1.015 55.377 56.400 -0.013 0.000 0.794 1235 E CB 1.252 30.936 29.700 -0.027 0.000 1.210 1235 E HN 0.400 nan 8.360 nan 0.000 0.414 1236 R N 1.421 121.679 120.500 -0.404 0.000 4.556 1236 R HA 0.162 4.503 4.340 0.001 0.000 0.197 1236 R C 0.429 176.613 176.300 -0.192 0.000 1.791 1236 R CA -0.081 55.637 56.100 -0.637 0.000 1.526 1236 R CB -0.090 29.600 30.300 -1.016 0.000 1.410 1236 R HN 0.452 nan 8.270 nan 0.000 0.826 1237 S N 1.348 117.015 115.700 -0.056 0.000 2.606 1237 S HA 0.090 4.561 4.470 0.001 0.000 0.257 1237 S C -0.910 173.728 174.600 0.063 0.000 1.327 1237 S CA -1.375 56.825 58.200 0.001 0.000 0.984 1237 S CB 0.555 63.758 63.200 0.006 0.000 0.941 1237 S HN 0.281 nan 8.310 nan 0.000 0.576 1238 P HA -0.053 nan 4.420 nan 0.000 0.220 1238 P C 0.847 178.209 177.300 0.103 0.000 1.148 1238 P CA 1.311 64.457 63.100 0.078 0.000 0.803 1238 P CB -0.244 31.492 31.700 0.059 0.000 0.782 1239 A N -1.222 121.653 122.820 0.091 0.000 2.225 1239 A HA -0.109 4.212 4.320 0.001 0.000 0.215 1239 A C 1.816 179.450 177.584 0.083 0.000 1.164 1239 A CA 0.526 52.615 52.037 0.088 0.000 0.710 1239 A CB -1.761 17.273 19.000 0.056 0.000 0.780 1239 A HN 0.168 nan 8.150 nan 0.000 0.473 1240 F N 0.623 120.544 119.950 -0.048 0.000 2.615 1240 F HA 0.029 4.557 4.527 0.001 0.000 0.297 1240 F C 1.706 177.515 175.800 0.015 0.000 1.124 1240 F CA 0.705 58.668 58.000 -0.062 0.000 1.451 1240 F CB -0.096 38.846 39.000 -0.096 0.000 1.103 1240 F HN 0.296 nan 8.300 nan 0.000 0.569 1241 I N 0.201 120.848 120.570 0.130 0.000 2.264 1241 I HA -0.168 4.003 4.170 0.001 0.000 0.248 1241 I C 2.309 178.433 176.117 0.011 0.000 1.111 1241 I CA 1.751 63.101 61.300 0.084 0.000 1.382 1241 I CB -1.790 36.264 38.000 0.091 0.000 1.060 1241 I HN 0.010 nan 8.210 nan 0.000 0.418 1242 A N 0.678 123.521 122.820 0.038 0.000 2.070 1242 A HA -0.048 4.273 4.320 0.001 0.000 0.220 1242 A C 2.064 179.691 177.584 0.071 0.000 1.159 1242 A CA 1.767 53.865 52.037 0.101 0.000 0.656 1242 A CB -0.957 18.193 19.000 0.251 0.000 0.800 1242 A HN 0.477 nan 8.150 nan 0.000 0.453 1243 I N -0.394 120.102 120.570 -0.123 0.000 3.059 1243 I HA -0.074 4.096 4.170 0.001 0.000 0.270 1243 I C 2.003 178.021 176.117 -0.166 0.000 1.238 1243 I CA 0.861 62.040 61.300 -0.202 0.000 1.478 1243 I CB -0.063 37.549 38.000 -0.647 0.000 1.097 1243 I HN 0.143 nan 8.210 nan 0.000 0.455 1244 K N 0.530 120.850 120.400 -0.134 0.000 2.044 1244 K HA 0.014 4.335 4.320 0.001 0.000 0.204 1244 K C 1.854 178.448 176.600 -0.010 0.000 1.045 1244 K CA 1.021 57.297 56.287 -0.017 0.000 0.951 1244 K CB -0.472 32.053 32.500 0.042 0.000 0.738 1244 K HN 0.347 nan 8.250 nan 0.000 0.443 1245 E N 1.441 121.639 120.200 -0.003 0.000 2.118 1245 E HA -0.141 4.210 4.350 0.001 0.000 0.195 1245 E C 1.432 178.023 176.600 -0.015 0.000 0.992 1245 E CA 1.049 57.449 56.400 0.000 0.000 0.804 1245 E CB -0.031 29.677 29.700 0.014 0.000 0.741 1245 E HN 0.251 nan 8.360 nan 0.000 0.458 1246 K N 0.273 120.661 120.400 -0.020 0.000 2.522 1246 K HA 0.059 4.380 4.320 0.001 0.000 0.194 1246 K C 0.670 177.236 176.600 -0.056 0.000 1.026 1246 K CA 0.339 56.601 56.287 -0.042 0.000 1.119 1246 K CB 0.279 32.751 32.500 -0.047 0.000 0.856 1246 K HN 0.166 nan 8.250 nan 0.000 0.513 1247 G N 2.651 111.421 108.800 -0.050 0.000 2.451 1247 G HA2 -0.266 3.695 3.960 0.001 0.000 0.296 1247 G HA3 -0.266 3.695 3.960 0.001 0.000 0.296 1247 G C 0.080 174.926 174.900 -0.090 0.000 0.922 1247 G CA 0.227 45.288 45.100 -0.064 0.000 1.074 1247 G HN 0.347 nan 8.290 nan 0.000 0.509 1248 I N 0.855 121.356 120.570 -0.115 0.000 2.416 1248 I HA 0.178 4.349 4.170 0.001 0.000 0.288 1248 I C -1.584 174.429 176.117 -0.173 0.000 1.051 1248 I CA -2.102 59.080 61.300 -0.198 0.000 1.375 1248 I CB 1.105 38.869 38.000 -0.394 0.000 1.407 1248 I HN -0.026 nan 8.210 nan 0.000 0.516 1249 P HA 0.117 nan 4.420 nan 0.000 0.267 1249 P C -1.292 176.033 177.300 0.041 0.000 1.205 1249 P CA 0.355 63.405 63.100 -0.083 0.000 0.765 1249 P CB 0.296 31.987 31.700 -0.015 0.000 0.828 1250 Y N -0.609 119.717 120.300 0.044 0.000 2.788 1250 Y HA 0.699 5.250 4.550 0.001 0.000 0.335 1250 Y C -1.464 174.543 175.900 0.179 0.000 1.287 1250 Y CA -1.547 56.641 58.100 0.147 0.000 1.068 1250 Y CB 0.971 39.554 38.460 0.205 0.000 1.340 1250 Y HN 0.225 nan 8.280 nan 0.000 0.449 1251 E N 1.174 121.777 120.200 0.671 0.000 2.768 1251 E HA 0.283 4.634 4.350 0.001 0.000 0.290 1251 E C -2.133 174.832 176.600 0.609 0.000 1.100 1251 E CA -0.434 56.278 56.400 0.520 0.000 0.768 1251 E CB 0.335 30.312 29.700 0.462 0.000 1.501 1251 E HN 0.597 nan 8.360 nan 0.000 0.384 1252 Y N 2.130 122.721 120.300 0.484 0.000 2.578 1252 Y HA 0.219 4.769 4.550 0.001 0.000 0.339 1252 Y C -0.816 175.137 175.900 0.090 0.000 1.231 1252 Y CA 0.967 59.219 58.100 0.254 0.000 1.461 1252 Y CB 0.471 39.018 38.460 0.145 0.000 1.323 1252 Y HN 0.388 nan 8.280 nan 0.000 0.590 1253 Y N 2.120 122.367 120.300 -0.089 0.000 2.396 1253 Y HA 0.414 4.965 4.550 0.001 0.000 0.332 1253 Y C 0.438 176.325 175.900 -0.021 0.000 1.034 1253 Y CA -1.106 56.997 58.100 0.005 0.000 1.057 1253 Y CB 1.570 40.013 38.460 -0.028 0.000 1.220 1253 Y HN 0.753 nan 8.280 nan 0.000 0.440 1254 G N 1.127 110.043 108.800 0.193 0.000 2.569 1254 G HA2 -0.002 3.958 3.960 0.001 0.000 0.249 1254 G HA3 -0.002 3.958 3.960 0.001 0.000 0.249 1254 G C 0.664 175.632 174.900 0.112 0.000 1.216 1254 G CA -0.528 44.660 45.100 0.147 0.000 0.845 1254 G HN 0.924 nan 8.290 nan 0.000 0.568 1255 N N -0.205 118.542 118.700 0.079 0.000 2.519 1255 N HA -0.086 4.655 4.740 0.001 0.000 0.186 1255 N C 2.078 177.624 175.510 0.062 0.000 1.062 1255 N CA 0.102 53.190 53.050 0.063 0.000 0.910 1255 N CB -0.034 38.484 38.487 0.051 0.000 0.958 1255 N HN 0.371 nan 8.380 nan 0.000 0.445 1256 R N 0.825 121.365 120.500 0.067 0.000 2.080 1256 R HA -0.026 4.315 4.340 0.001 0.000 0.222 1256 R C 0.462 176.805 176.300 0.072 0.000 1.107 1256 R CA 0.755 56.890 56.100 0.059 0.000 0.980 1256 R CB -0.146 30.185 30.300 0.051 0.000 0.879 1256 R HN 0.420 nan 8.270 nan 0.000 0.439 1257 E N 1.727 121.988 120.200 0.103 0.000 2.341 1257 E HA 0.025 4.375 4.350 0.001 0.000 0.279 1257 E C 1.003 177.713 176.600 0.184 0.000 1.395 1257 E CA -0.054 56.428 56.400 0.137 0.000 1.648 1257 E CB -0.066 29.725 29.700 0.151 0.000 1.524 1257 E HN 0.297 nan 8.360 nan 0.000 0.462 1258 I N 0.452 121.079 120.570 0.096 0.000 2.584 1258 I HA -0.136 4.034 4.170 0.001 0.000 0.255 1258 I C 0.815 176.930 176.117 -0.003 0.000 1.145 1258 I CA 0.670 61.987 61.300 0.030 0.000 1.462 1258 I CB 0.375 38.379 38.000 0.005 0.000 1.102 1258 I HN 0.026 nan 8.210 nan 0.000 0.433 1259 D N 1.279 121.698 120.400 0.032 0.000 2.352 1259 D HA -0.056 4.585 4.640 0.001 0.000 0.232 1259 D C 1.116 177.443 176.300 0.046 0.000 1.055 1259 D CA 0.598 54.612 54.000 0.023 0.000 0.891 1259 D CB 0.201 41.017 40.800 0.028 0.000 0.897 1259 D HN 0.471 nan 8.370 nan 0.000 0.529 1260 K N -0.216 120.244 120.400 0.099 0.000 2.374 1260 K HA 0.188 4.508 4.320 0.001 0.000 0.202 1260 K C 0.712 177.443 176.600 0.219 0.000 1.040 1260 K CA -0.309 56.080 56.287 0.171 0.000 1.085 1260 K CB 0.919 33.553 32.500 0.223 0.000 0.873 1260 K HN 0.041 nan 8.250 nan 0.000 0.539 1261 M N 2.019 121.573 119.600 -0.077 0.000 2.228 1261 M HA 0.006 4.487 4.480 0.001 0.000 0.351 1261 M C -0.276 175.916 176.300 -0.180 0.000 1.233 1261 M CA 0.447 55.425 55.300 -0.538 0.000 1.129 1261 M CB 0.380 32.593 32.600 -0.647 0.000 1.604 1261 M HN 0.038 nan 8.290 nan 0.000 0.457 1262 N N 5.067 123.705 118.700 -0.104 0.000 2.462 1262 N HA 0.151 4.892 4.740 0.001 0.000 0.242 1262 N C -0.293 175.208 175.510 -0.015 0.000 1.010 1262 N CA -0.601 52.451 53.050 0.002 0.000 0.939 1262 N CB 0.639 39.176 38.487 0.083 0.000 1.127 1262 N HN 0.672 nan 8.380 nan 0.000 0.509 1263 L N 2.473 123.689 121.223 -0.013 0.000 2.653 1263 L HA 0.278 4.619 4.340 0.001 0.000 0.232 1263 L C 0.984 177.873 176.870 0.031 0.000 1.169 1263 L CA 0.181 55.022 54.840 0.002 0.000 0.951 1263 L CB -1.602 40.453 42.059 -0.006 0.000 1.181 1263 L HN 0.457 nan 8.230 nan 0.000 0.460 1264 A N 1.180 124.023 122.820 0.039 0.000 2.286 1264 A HA 0.645 4.966 4.320 0.001 0.000 0.286 1264 A C -2.006 175.615 177.584 0.062 0.000 1.097 1264 A CA -1.027 51.037 52.037 0.046 0.000 0.821 1264 A CB -0.016 19.009 19.000 0.042 0.000 1.076 1264 A HN 0.023 nan 8.150 nan 0.000 0.490 1265 P HA 0.004 nan 4.420 nan 0.000 0.273 1265 P C -0.233 177.102 177.300 0.059 0.000 1.250 1265 P CA -0.208 62.931 63.100 0.064 0.000 0.793 1265 P CB 0.228 31.958 31.700 0.049 0.000 1.011 1266 N N 0.187 118.919 118.700 0.052 0.000 2.648 1266 N HA -0.162 4.579 4.740 0.001 0.000 0.265 1266 N C -0.916 174.637 175.510 0.072 0.000 1.100 1266 N CA 0.332 53.407 53.050 0.041 0.000 0.715 1266 N CB -0.440 38.061 38.487 0.023 0.000 0.881 1266 N HN 0.416 nan 8.380 nan 0.000 0.548 1267 Q N -0.080 119.793 119.800 0.122 0.000 2.418 1267 Q HA 0.533 4.873 4.340 0.001 0.000 0.282 1267 Q C -2.565 173.574 176.000 0.231 0.000 1.044 1267 Q CA -1.174 54.716 55.803 0.144 0.000 0.813 1267 Q CB 2.345 31.159 28.738 0.126 0.000 1.428 1267 Q HN 0.201 nan 8.270 nan 0.000 0.402 1268 P HA 0.259 nan 4.420 nan 0.000 0.277 1268 P C -1.081 176.310 177.300 0.153 0.000 1.271 1268 P CA -0.457 62.789 63.100 0.244 0.000 0.795 1268 P CB 0.369 32.175 31.700 0.177 0.000 1.101 1269 A N 1.278 124.164 122.820 0.111 0.000 2.545 1269 A HA 0.015 4.336 4.320 0.001 0.000 0.253 1269 A C 0.210 177.873 177.584 0.131 0.000 1.074 1269 A CA 0.184 52.211 52.037 -0.016 0.000 0.760 1269 A CB -0.744 18.424 19.000 0.281 0.000 1.005 1269 A HN 0.349 nan 8.150 nan 0.000 0.506 1270 Q N 2.670 122.484 119.800 0.023 0.000 2.389 1270 Q HA 0.217 4.558 4.340 0.001 0.000 0.244 1270 Q C -0.340 175.666 176.000 0.010 0.000 1.056 1270 Q CA -0.064 55.772 55.803 0.054 0.000 0.908 1270 Q CB 0.607 29.278 28.738 -0.111 0.000 1.273 1270 Q HN 0.564 nan 8.270 nan 0.000 0.471 1271 I N 3.729 124.349 120.570 0.083 0.000 2.352 1271 I HA 0.152 4.322 4.170 0.001 0.000 0.290 1271 I C 0.195 176.146 176.117 -0.276 0.000 1.036 1271 I CA -0.896 60.342 61.300 -0.102 0.000 1.336 1271 I CB 0.447 38.364 38.000 -0.138 0.000 1.407 1271 I HN 0.373 nan 8.210 nan 0.000 0.497 1272 L N 6.456 127.542 121.223 -0.229 0.000 2.275 1272 L HA 0.316 4.657 4.340 0.001 0.000 0.288 1272 L C 1.065 177.779 176.870 -0.259 0.000 1.046 1272 L CA 0.240 54.957 54.840 -0.205 0.000 0.805 1272 L CB 0.786 42.800 42.059 -0.075 0.000 1.193 1272 L HN 0.549 nan 8.230 nan 0.000 0.426 1273 D N 2.763 122.984 120.400 -0.298 0.000 2.242 1273 D HA -0.170 4.471 4.640 0.001 0.000 0.193 1273 D C 0.267 176.569 176.300 0.004 0.000 1.005 1273 D CA 2.104 56.043 54.000 -0.102 0.000 0.856 1273 D CB 0.234 41.086 40.800 0.087 0.000 1.001 1273 D HN 0.734 nan 8.370 nan 0.000 0.452 1274 C N -1.709 117.605 119.300 0.023 0.000 3.241 1274 C HA 0.828 5.289 4.460 0.001 0.000 0.312 1274 C C -1.165 173.850 174.990 0.043 0.000 1.350 1274 C CA -0.910 58.098 59.018 -0.017 0.000 1.415 1274 C CB 0.730 28.431 27.740 -0.065 0.000 1.770 1274 C HN 0.480 nan 8.230 nan 0.000 0.466 1275 Y N -0.391 119.871 120.300 -0.063 0.000 2.609 1275 Y HA 0.833 5.384 4.550 0.001 0.000 0.342 1275 Y C -0.913 174.927 175.900 -0.100 0.000 1.058 1275 Y CA -1.938 56.118 58.100 -0.073 0.000 1.055 1275 Y CB 0.801 39.213 38.460 -0.081 0.000 1.292 1275 Y HN 0.756 nan 8.280 nan 0.000 0.476 1276 I N 3.048 123.709 120.570 0.151 0.000 2.325 1276 I HA 0.088 4.259 4.170 0.001 0.000 0.291 1276 I C 1.158 177.362 176.117 0.145 0.000 1.019 1276 I CA -0.272 61.052 61.300 0.039 0.000 1.302 1276 I CB 1.237 39.257 38.000 0.033 0.000 1.401 1276 I HN 0.879 nan 8.210 nan 0.000 0.485 1277 N N 3.822 122.522 118.700 0.000 0.000 2.060 1277 N HA -0.236 4.505 4.740 0.001 0.000 0.195 1277 N C 1.788 177.308 175.510 0.017 0.000 1.028 1277 N CA 2.396 55.474 53.050 0.047 0.000 0.861 1277 N CB 0.225 38.592 38.487 -0.201 0.000 1.029 1277 N HN 0.753 nan 8.380 nan 0.000 0.428 1278 S N -0.136 115.587 115.700 0.037 0.000 2.402 1278 S HA -0.062 4.408 4.470 0.001 0.000 0.229 1278 S C 1.734 176.383 174.600 0.081 0.000 1.021 1278 S CA 0.793 59.054 58.200 0.100 0.000 0.974 1278 S CB -0.275 63.048 63.200 0.205 0.000 0.800 1278 S HN 0.398 nan 8.310 nan 0.000 0.484 1279 E N 0.818 121.052 120.200 0.057 0.000 2.047 1279 E HA -0.064 4.287 4.350 0.001 0.000 0.191 1279 E C 2.196 178.771 176.600 -0.042 0.000 0.987 1279 E CA 1.121 57.544 56.400 0.038 0.000 0.799 1279 E CB -0.256 29.468 29.700 0.040 0.000 0.752 1279 E HN 0.404 nan 8.360 nan 0.000 0.449 1280 M N 1.223 120.759 119.600 -0.106 0.000 2.080 1280 M HA -0.196 4.284 4.480 0.001 0.000 0.260 1280 M C 2.094 178.237 176.300 -0.262 0.000 1.068 1280 M CA 1.615 56.744 55.300 -0.284 0.000 1.109 1280 M CB -0.539 31.673 32.600 -0.647 0.000 1.342 1280 M HN 0.139 nan 8.290 nan 0.000 0.405 1281 L N -0.042 120.999 121.223 -0.304 0.000 2.043 1281 L HA -0.237 4.104 4.340 0.001 0.000 0.212 1281 L C 2.452 179.133 176.870 -0.315 0.000 1.075 1281 L CA 1.829 56.395 54.840 -0.455 0.000 0.752 1281 L CB -1.030 40.426 42.059 -1.006 0.000 0.891 1281 L HN 0.317 nan 8.230 nan 0.000 0.432 1282 E N 0.750 120.875 120.200 -0.125 0.000 2.051 1282 E HA -0.199 4.152 4.350 0.001 0.000 0.192 1282 E C 2.294 178.901 176.600 0.011 0.000 0.991 1282 E CA 1.422 57.889 56.400 0.110 0.000 0.799 1282 E CB -0.005 29.802 29.700 0.178 0.000 0.748 1282 E HN 0.237 nan 8.360 nan 0.000 0.449 1283 R N -0.712 119.761 120.500 -0.044 0.000 2.092 1283 R HA -0.091 4.250 4.340 0.001 0.000 0.231 1283 R C 2.355 178.613 176.300 -0.070 0.000 1.119 1283 R CA 1.535 57.601 56.100 -0.057 0.000 0.970 1283 R CB -0.314 29.937 30.300 -0.083 0.000 0.864 1283 R HN 0.277 nan 8.270 nan 0.000 0.440 1284 M N 0.804 120.341 119.600 -0.105 0.000 2.200 1284 M HA -0.106 4.375 4.480 0.001 0.000 0.265 1284 M C 2.075 178.319 176.300 -0.093 0.000 1.066 1284 M CA 1.696 56.936 55.300 -0.101 0.000 1.127 1284 M CB -0.009 32.510 32.600 -0.135 0.000 1.379 1284 M HN 0.059 nan 8.290 nan 0.000 0.420 1285 S N -0.936 114.713 115.700 -0.085 0.000 2.500 1285 S HA -0.089 4.382 4.470 0.001 0.000 0.239 1285 S C 1.497 176.036 174.600 -0.101 0.000 0.989 1285 S CA 0.922 59.067 58.200 -0.092 0.000 0.951 1285 S CB -0.549 62.655 63.200 0.006 0.000 0.759 1285 S HN 0.612 nan 8.310 nan 0.000 0.523 1286 K N 0.907 121.266 120.400 -0.068 0.000 2.478 1286 K HA 0.326 4.647 4.320 0.001 0.000 0.205 1286 K C -0.673 175.893 176.600 -0.057 0.000 1.033 1286 K CA -0.148 56.102 56.287 -0.063 0.000 1.091 1286 K CB 0.996 33.475 32.500 -0.035 0.000 0.844 1286 K HN 0.191 nan 8.250 nan 0.000 0.507 1287 S N -0.442 115.224 115.700 -0.056 0.000 2.472 1287 S HA 0.267 4.738 4.470 0.001 0.000 0.303 1287 S C 1.167 175.739 174.600 -0.047 0.000 1.099 1287 S CA -0.790 57.401 58.200 -0.015 0.000 1.077 1287 S CB 1.781 64.995 63.200 0.024 0.000 1.031 1287 S HN 0.377 nan 8.310 nan 0.000 0.487 1288 G N 1.671 110.462 108.800 -0.016 0.000 2.491 1288 G HA2 -0.075 3.886 3.960 0.001 0.000 0.218 1288 G HA3 -0.075 3.886 3.960 0.001 0.000 0.218 1288 G C -0.156 174.405 174.900 -0.565 0.000 1.180 1288 G CA 1.171 46.142 45.100 -0.215 0.000 0.774 1288 G HN 0.538 nan 8.290 nan 0.000 0.562 1289 F N -0.658 119.371 119.950 0.132 0.000 2.561 1289 F HA 0.623 5.151 4.527 0.001 0.000 0.313 1289 F C 0.381 176.206 175.800 0.043 0.000 1.126 1289 F CA -1.146 56.871 58.000 0.028 0.000 0.918 1289 F CB 1.913 40.907 39.000 -0.010 0.000 1.199 1289 F HN 0.174 nan 8.300 nan 0.000 0.444 1290 G N 1.465 110.285 108.800 0.034 0.000 2.371 1290 G HA2 0.570 4.531 3.960 0.001 0.000 0.326 1290 G HA3 0.570 4.531 3.960 0.001 0.000 0.326 1290 G C -1.960 172.935 174.900 -0.009 0.000 1.127 1290 G CA -0.469 44.683 45.100 0.086 0.000 0.885 1290 G HN 0.525 nan 8.290 nan 0.000 0.477 1291 Y N 0.419 120.781 120.300 0.103 0.000 2.393 1291 Y HA 0.539 5.089 4.550 0.001 0.000 0.341 1291 Y C 0.321 176.167 175.900 -0.090 0.000 0.988 1291 Y CA -0.809 57.363 58.100 0.120 0.000 1.078 1291 Y CB 2.758 41.375 38.460 0.261 0.000 1.203 1291 Y HN 0.320 nan 8.280 nan 0.000 0.453 1292 Q N 3.865 123.750 119.800 0.141 0.000 3.147 1292 Q HA 0.235 4.575 4.340 0.001 0.000 0.224 1292 Q C -1.601 174.443 176.000 0.073 0.000 0.901 1292 Q CA -0.375 55.341 55.803 -0.146 0.000 0.729 1292 Q CB 1.215 29.789 28.738 -0.275 0.000 1.363 1292 Q HN 0.769 nan 8.270 nan 0.000 0.467 1293 L N 1.678 122.990 121.223 0.149 0.000 2.968 1293 L HA 0.253 4.593 4.340 0.001 0.000 0.235 1293 L C 0.300 177.213 176.870 0.071 0.000 1.323 1293 L CA 0.315 55.304 54.840 0.248 0.000 1.159 1293 L CB 0.060 42.262 42.059 0.238 0.000 1.523 1293 L HN 0.262 nan 8.230 nan 0.000 0.468 1294 S N 1.393 117.124 115.700 0.050 0.000 2.515 1294 S HA 0.093 4.564 4.470 0.001 0.000 0.285 1294 S C 0.999 175.593 174.600 -0.010 0.000 1.265 1294 S CA -0.113 58.118 58.200 0.051 0.000 1.079 1294 S CB 0.029 63.318 63.200 0.149 0.000 0.877 1294 S HN 0.484 nan 8.310 nan 0.000 0.493 1295 K N 2.625 122.909 120.400 -0.193 0.000 3.167 1295 K HA 0.302 4.623 4.320 0.001 0.000 0.208 1295 K C -0.369 176.176 176.600 -0.093 0.000 1.159 1295 K CA -0.740 55.286 56.287 -0.434 0.000 1.018 1295 K CB 0.060 31.830 32.500 -1.217 0.000 0.927 1295 K HN 0.267 nan 8.250 nan 0.000 0.476 1296 L N 1.852 123.084 121.223 0.016 0.000 2.489 1296 L HA 0.001 4.342 4.340 0.001 0.000 0.285 1296 L C 0.374 177.256 176.870 0.020 0.000 1.259 1296 L CA 0.593 55.394 54.840 -0.065 0.000 0.828 1296 L CB 0.244 42.159 42.059 -0.241 0.000 1.094 1296 L HN 0.541 nan 8.230 nan 0.000 0.524 1297 N N 0.862 119.624 118.700 0.104 0.000 2.473 1297 N HA 0.030 4.771 4.740 0.001 0.000 0.291 1297 N C 0.563 176.081 175.510 0.012 0.000 1.083 1297 N CA -0.319 52.777 53.050 0.077 0.000 0.951 1297 N CB 1.554 40.077 38.487 0.059 0.000 1.164 1297 N HN 0.652 nan 8.380 nan 0.000 0.480 1298 Q N 3.644 123.439 119.800 -0.009 0.000 2.188 1298 Q HA -0.313 4.028 4.340 0.001 0.000 0.217 1298 Q C 1.586 177.539 176.000 -0.078 0.000 1.018 1298 Q CA 2.926 58.711 55.803 -0.030 0.000 0.910 1298 Q CB -0.179 28.543 28.738 -0.027 0.000 0.979 1298 Q HN 0.788 nan 8.270 nan 0.000 0.413 1299 K N -1.688 118.603 120.400 -0.183 0.000 2.097 1299 K HA -0.190 4.131 4.320 0.001 0.000 0.206 1299 K C 1.391 177.858 176.600 -0.220 0.000 1.049 1299 K CA 1.680 57.810 56.287 -0.261 0.000 0.933 1299 K CB -0.484 31.752 32.500 -0.440 0.000 0.717 1299 K HN 0.368 nan 8.250 nan 0.000 0.442 1300 Y N 1.437 121.694 120.300 -0.072 0.000 2.546 1300 Y HA 0.269 4.820 4.550 0.001 0.000 0.287 1300 Y C 0.634 176.474 175.900 -0.100 0.000 1.158 1300 Y CA -0.070 57.977 58.100 -0.088 0.000 1.307 1300 Y CB 0.170 38.493 38.460 -0.228 0.000 1.036 1300 Y HN -0.095 nan 8.280 nan 0.000 0.532 1301 L N 0.312 121.560 121.223 0.041 0.000 2.305 1301 L HA 0.359 4.700 4.340 0.001 0.000 0.284 1301 L C 0.499 177.378 176.870 0.015 0.000 1.013 1301 L CA -0.120 54.723 54.840 0.005 0.000 0.819 1301 L CB 2.044 44.096 42.059 -0.011 0.000 1.227 1301 L HN 0.056 nan 8.230 nan 0.000 0.417 1302 Q N 1.862 121.674 119.800 0.020 0.000 2.274 1302 Q HA 0.300 4.641 4.340 0.001 0.000 0.172 1302 Q C 0.986 177.008 176.000 0.036 0.000 0.613 1302 Q CA -0.114 55.705 55.803 0.026 0.000 0.789 1302 Q CB 0.759 29.514 28.738 0.028 0.000 1.125 1302 Q HN 0.549 nan 8.270 nan 0.000 0.501 1303 R N -0.646 119.869 120.500 0.024 0.000 2.521 1303 R HA 0.390 4.730 4.340 0.001 0.000 0.289 1303 R C -0.338 176.001 176.300 0.065 0.000 0.936 1303 R CA -0.043 56.092 56.100 0.060 0.000 1.089 1303 R CB 1.433 31.706 30.300 -0.044 0.000 1.348 1303 R HN -0.017 nan 8.270 nan 0.000 0.536 1304 S N 2.114 117.805 115.700 -0.015 0.000 2.414 1304 S HA 0.163 4.634 4.470 0.001 0.000 0.290 1304 S C -0.328 174.215 174.600 -0.095 0.000 1.160 1304 S CA -0.224 57.934 58.200 -0.070 0.000 1.069 1304 S CB 0.326 63.465 63.200 -0.102 0.000 1.012 1304 S HN 0.034 nan 8.310 nan 0.000 0.510 1305 L N 3.570 124.750 121.223 -0.073 0.000 2.431 1305 L HA 0.482 4.822 4.340 0.001 0.000 0.260 1305 L C 0.491 177.320 176.870 -0.068 0.000 1.098 1305 L CA -0.050 54.694 54.840 -0.161 0.000 0.800 1305 L CB 0.797 42.757 42.059 -0.166 0.000 1.210 1305 L HN 0.551 nan 8.230 nan 0.000 0.465 1306 E N 0.262 120.582 120.200 0.200 0.000 2.227 1306 E HA 0.147 4.498 4.350 0.001 0.000 0.268 1306 E C 0.074 176.644 176.600 -0.050 0.000 0.990 1306 E CA -0.311 56.112 56.400 0.038 0.000 0.856 1306 E CB 0.915 30.660 29.700 0.075 0.000 1.159 1306 E HN 0.457 nan 8.360 nan 0.000 0.401 1307 Y N 0.465 120.810 120.300 0.076 0.000 2.207 1307 Y HA -0.272 4.279 4.550 0.001 0.000 0.287 1307 Y C 2.614 178.536 175.900 0.036 0.000 1.156 1307 Y CA 1.765 59.911 58.100 0.077 0.000 1.182 1307 Y CB -0.327 38.185 38.460 0.088 0.000 0.979 1307 Y HN 0.612 nan 8.280 nan 0.000 0.521 1308 T N -2.874 111.725 114.554 0.075 0.000 2.833 1308 T HA -0.214 4.137 4.350 0.001 0.000 0.269 1308 T C 1.484 176.130 174.700 -0.090 0.000 1.054 1308 T CA 1.666 63.731 62.100 -0.058 0.000 1.135 1308 T CB -0.467 68.267 68.868 -0.223 0.000 0.869 1308 T HN 0.418 nan 8.240 nan 0.000 0.466 1309 H N 1.693 120.706 119.070 -0.095 0.000 2.299 1309 H HA 0.121 4.678 4.556 0.001 0.000 0.302 1309 H C 2.402 177.793 175.328 0.104 0.000 1.078 1309 H CA 1.470 57.415 56.048 -0.172 0.000 1.323 1309 H CB -0.431 29.070 29.762 -0.435 0.000 1.381 1309 H HN 0.350 nan 8.280 nan 0.000 0.498 1310 L N 0.530 121.882 121.223 0.215 0.000 2.131 1310 L HA -0.146 4.195 4.340 0.001 0.000 0.210 1310 L C 2.349 179.348 176.870 0.214 0.000 1.092 1310 L CA 1.120 56.086 54.840 0.211 0.000 0.759 1310 L CB -0.435 41.726 42.059 0.170 0.000 0.903 1310 L HN 0.241 nan 8.230 nan 0.000 0.435 1311 E N 0.431 120.741 120.200 0.184 0.000 2.110 1311 E HA -0.176 4.175 4.350 0.001 0.000 0.193 1311 E C 2.372 179.039 176.600 0.112 0.000 0.988 1311 E CA 0.914 57.395 56.400 0.135 0.000 0.804 1311 E CB -0.074 29.675 29.700 0.081 0.000 0.745 1311 E HN 0.436 nan 8.360 nan 0.000 0.458 1312 L N 0.088 121.386 121.223 0.124 0.000 1.994 1312 L HA -0.139 4.202 4.340 0.001 0.000 0.208 1312 L C 2.604 179.542 176.870 0.113 0.000 1.071 1312 L CA 1.381 56.277 54.840 0.093 0.000 0.745 1312 L CB -0.879 41.264 42.059 0.140 0.000 0.892 1312 L HN 0.266 nan 8.230 nan 0.000 0.431 1313 G N -0.408 108.511 108.800 0.198 0.000 2.421 1313 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 1313 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 1313 G C 1.738 176.885 174.900 0.411 0.000 1.171 1313 G CA 0.822 46.066 45.100 0.240 0.000 0.775 1313 G HN 0.475 nan 8.290 nan 0.000 0.543 1314 A N 0.220 123.275 122.820 0.392 0.000 2.019 1314 A HA -0.071 4.249 4.320 0.001 0.000 0.219 1314 A C 2.422 180.320 177.584 0.523 0.000 1.164 1314 A CA 1.868 54.226 52.037 0.535 0.000 0.644 1314 A CB -0.862 18.365 19.000 0.378 0.000 0.805 1314 A HN 0.975 nan 8.150 nan 0.000 0.449 1315 C N -3.007 116.459 119.300 0.276 0.000 2.754 1315 C HA 0.575 5.035 4.460 0.001 0.000 0.276 1315 C C 1.634 176.562 174.990 -0.103 0.000 1.264 1315 C CA -0.008 59.107 59.018 0.162 0.000 1.700 1315 C CB -0.885 26.852 27.740 -0.006 0.000 1.885 1315 C HN 1.614 nan 8.230 nan 0.000 0.607 1316 G N 0.708 109.289 108.800 -0.365 0.000 2.132 1316 G HA2 -0.145 3.816 3.960 0.001 0.000 0.234 1316 G HA3 -0.145 3.816 3.960 0.001 0.000 0.234 1316 G C 0.031 174.500 174.900 -0.719 0.000 0.989 1316 G CA 0.478 44.789 45.100 -1.314 0.000 0.676 1316 G HN 0.823 nan 8.290 nan 0.000 0.522 1317 T N -0.265 114.056 114.554 -0.388 0.000 2.937 1317 T HA 0.680 5.030 4.350 0.001 0.000 0.283 1317 T C 0.377 174.853 174.700 -0.373 0.000 1.012 1317 T CA -0.777 61.136 62.100 -0.311 0.000 0.997 1317 T CB 0.643 69.395 68.868 -0.193 0.000 1.136 1317 T HN 0.170 nan 8.240 nan 0.000 0.551 1318 I N 3.657 123.960 120.570 -0.446 0.000 2.312 1318 I HA 0.323 4.494 4.170 0.001 0.000 0.291 1318 I C -2.189 173.738 176.117 -0.317 0.000 1.031 1318 I CA -2.781 58.251 61.300 -0.447 0.000 1.293 1318 I CB 0.859 38.560 38.000 -0.498 0.000 1.403 1318 I HN 0.438 nan 8.210 nan 0.000 0.484 1319 P HA 0.147 nan 4.420 nan 0.000 0.276 1319 P C -0.617 176.278 177.300 -0.675 0.000 1.235 1319 P CA -0.089 62.690 63.100 -0.535 0.000 0.772 1319 P CB 0.825 32.050 31.700 -0.791 0.000 0.871 1320 V N 5.537 125.144 119.914 -0.512 0.000 2.357 1320 V HA 0.354 4.475 4.120 0.001 0.000 0.281 1320 V C -0.392 175.712 176.094 0.017 0.000 1.015 1320 V CA -0.307 61.764 62.300 -0.382 0.000 0.827 1320 V CB -0.072 31.433 31.823 -0.530 0.000 1.018 1320 V HN 0.354 nan 8.190 nan 0.000 0.432 1321 F N 1.449 121.364 119.950 -0.059 0.000 2.518 1321 F HA 0.505 5.032 4.527 0.001 0.000 0.338 1321 F C 0.291 176.338 175.800 0.413 0.000 1.065 1321 F CA -2.184 55.929 58.000 0.190 0.000 1.012 1321 F CB 0.836 39.958 39.000 0.203 0.000 1.297 1321 F HN 0.420 nan 8.300 nan 0.000 0.489 1322 W N 3.182 124.803 121.300 0.534 0.000 2.287 1322 W HA 0.143 4.803 4.660 0.001 0.000 0.313 1322 W C 1.133 177.960 176.519 0.513 0.000 1.267 1322 W CA -0.452 57.157 57.345 0.440 0.000 1.201 1322 W CB 1.165 30.800 29.460 0.292 0.000 1.196 1322 W HN 0.645 nan 8.180 nan 0.000 0.536 1323 K N 2.272 122.733 120.400 0.102 0.000 1.987 1323 K HA -0.259 4.061 4.320 0.001 0.000 0.216 1323 K C 2.281 178.907 176.600 0.043 0.000 1.051 1323 K CA 2.750 59.087 56.287 0.082 0.000 0.942 1323 K CB -0.447 31.979 32.500 -0.122 0.000 0.722 1323 K HN 0.593 nan 8.250 nan 0.000 0.444 1324 S N -0.077 115.678 115.700 0.091 0.000 2.392 1324 S HA -0.210 4.261 4.470 0.001 0.000 0.232 1324 S C 1.993 176.717 174.600 0.208 0.000 1.041 1324 S CA 2.178 60.496 58.200 0.197 0.000 1.026 1324 S CB -1.047 62.382 63.200 0.381 0.000 0.845 1324 S HN 0.385 nan 8.310 nan 0.000 0.465 1325 T N 1.767 116.546 114.554 0.375 0.000 2.652 1325 T HA 0.021 4.372 4.350 0.001 0.000 0.267 1325 T C 1.961 176.722 174.700 0.102 0.000 1.039 1325 T CA 1.551 63.798 62.100 0.246 0.000 1.153 1325 T CB -1.214 67.853 68.868 0.332 0.000 0.863 1325 T HN 0.681 nan 8.240 nan 0.000 0.428 1326 G N 0.564 109.404 108.800 0.065 0.000 2.509 1326 G HA2 -0.118 3.842 3.960 0.001 0.000 0.218 1326 G HA3 -0.118 3.842 3.960 0.001 0.000 0.218 1326 G C 1.394 176.073 174.900 -0.370 0.000 1.124 1326 G CA 0.449 45.374 45.100 -0.292 0.000 0.776 1326 G HN 0.513 nan 8.290 nan 0.000 0.547 1327 E N 0.145 120.200 120.200 -0.242 0.000 2.086 1327 E HA -0.024 4.327 4.350 0.001 0.000 0.190 1327 E C 2.216 178.772 176.600 -0.075 0.000 0.975 1327 E CA 0.607 56.900 56.400 -0.179 0.000 0.813 1327 E CB -0.004 29.614 29.700 -0.136 0.000 0.768 1327 E HN 0.547 nan 8.360 nan 0.000 0.457 1328 N N 0.272 118.955 118.700 -0.028 0.000 2.290 1328 N HA 0.017 4.758 4.740 0.001 0.000 0.179 1328 N C 0.343 175.857 175.510 0.006 0.000 1.016 1328 N CA -0.007 53.042 53.050 -0.002 0.000 0.871 1328 N CB 0.226 38.723 38.487 0.016 0.000 0.987 1328 N HN -0.024 nan 8.380 nan 0.000 0.431 1329 L N 1.435 122.661 121.223 0.005 0.000 2.473 1329 L HA 0.139 4.479 4.340 0.001 0.000 0.268 1329 L C 0.072 176.981 176.870 0.066 0.000 1.215 1329 L CA 0.297 55.154 54.840 0.029 0.000 0.823 1329 L CB 0.558 42.620 42.059 0.005 0.000 1.099 1329 L HN 0.069 nan 8.230 nan 0.000 0.483 1330 K N 2.109 122.585 120.400 0.127 0.000 2.397 1330 K HA 0.331 4.652 4.320 0.001 0.000 0.253 1330 K C -0.822 175.976 176.600 0.330 0.000 0.932 1330 K CA -0.916 55.482 56.287 0.185 0.000 0.795 1330 K CB 1.972 34.548 32.500 0.128 0.000 1.159 1330 K HN 0.132 nan 8.250 nan 0.000 0.424 1331 F N 3.370 123.411 119.950 0.151 0.000 2.629 1331 F HA -0.058 4.470 4.527 0.002 0.000 0.377 1331 F C 1.686 177.553 175.800 0.111 0.000 1.101 1331 F CA 0.015 58.130 58.000 0.191 0.000 1.301 1331 F CB 0.520 39.545 39.000 0.042 0.000 1.062 1331 F HN 0.586 nan 8.300 nan 0.000 0.583 1332 R N 3.249 123.546 120.500 -0.337 0.000 2.189 1332 R HA -0.034 4.307 4.340 0.001 0.000 0.223 1332 R C 1.309 177.252 176.300 -0.596 0.000 1.092 1332 R CA 1.395 57.159 56.100 -0.560 0.000 0.989 1332 R CB -0.090 29.758 30.300 -0.753 0.000 0.876 1332 R HN 0.611 nan 8.270 nan 0.000 0.457 1333 V N 1.382 120.705 119.914 -0.985 0.000 2.488 1333 V HA -0.110 4.011 4.120 0.001 0.000 0.246 1333 V C 0.956 176.910 176.094 -0.234 0.000 1.046 1333 V CA 2.008 63.922 62.300 -0.642 0.000 1.053 1333 V CB -0.166 31.201 31.823 -0.759 0.000 0.679 1333 V HN 0.539 nan 8.190 nan 0.000 0.458 1334 D N -2.285 118.080 120.400 -0.058 0.000 2.740 1334 D HA 0.104 4.745 4.640 0.001 0.000 0.305 1334 D C 0.174 176.544 176.300 0.116 0.000 1.583 1334 D CA 0.015 54.058 54.000 0.071 0.000 0.790 1334 D CB -0.523 40.369 40.800 0.153 0.000 1.187 1334 D HN 0.361 nan 8.370 nan 0.000 0.447 1335 N N 0.397 119.157 118.700 0.100 0.000 2.857 1335 N HA -0.202 4.539 4.740 0.001 0.000 0.242 1335 N C -0.126 175.482 175.510 0.162 0.000 0.983 1335 N CA 1.893 55.009 53.050 0.109 0.000 0.934 1335 N CB -1.860 36.664 38.487 0.062 0.000 1.115 1335 N HN 0.618 nan 8.380 nan 0.000 0.593 1336 T N -1.815 112.892 114.554 0.256 0.000 2.919 1336 T HA 0.445 4.796 4.350 0.001 0.000 0.302 1336 T C -2.422 172.453 174.700 0.291 0.000 1.031 1336 T CA -1.481 60.776 62.100 0.262 0.000 1.127 1336 T CB 1.463 70.523 68.868 0.319 0.000 0.952 1336 T HN -0.166 nan 8.240 nan 0.000 0.540 1337 P HA 0.060 nan 4.420 nan 0.000 0.267 1337 P C 0.631 178.017 177.300 0.143 0.000 1.201 1337 P CA -0.370 62.787 63.100 0.095 0.000 0.775 1337 P CB 0.326 32.023 31.700 -0.005 0.000 0.854 1338 L N 1.795 123.047 121.223 0.050 0.000 2.201 1338 L HA -0.106 4.235 4.340 0.001 0.000 0.212 1338 L C 2.059 178.881 176.870 -0.080 0.000 1.105 1338 L CA 1.989 56.887 54.840 0.097 0.000 0.775 1338 L CB -1.690 40.476 42.059 0.178 0.000 0.913 1338 L HN 0.421 nan 8.230 nan 0.000 0.440 1339 T N -4.077 110.239 114.554 -0.396 0.000 3.160 1339 T HA -0.048 4.302 4.350 0.001 0.000 0.257 1339 T C 1.706 176.275 174.700 -0.219 0.000 1.147 1339 T CA 0.760 62.488 62.100 -0.619 0.000 1.064 1339 T CB -0.378 67.979 68.868 -0.852 0.000 0.949 1339 T HN 0.388 nan 8.240 nan 0.000 0.526 1340 S N 0.018 115.693 115.700 -0.042 0.000 2.575 1340 S HA 0.125 4.596 4.470 0.001 0.000 0.215 1340 S C 0.087 174.598 174.600 -0.148 0.000 0.966 1340 S CA -0.595 57.564 58.200 -0.068 0.000 0.911 1340 S CB -0.383 62.774 63.200 -0.072 0.000 0.780 1340 S HN 0.613 nan 8.310 nan 0.000 0.514 1341 H N 0.909 119.861 119.070 -0.198 0.000 2.573 1341 H HA 0.530 5.086 4.556 0.001 0.000 0.351 1341 H C -0.835 174.336 175.328 -0.260 0.000 1.163 1341 H CA -1.086 54.800 56.048 -0.271 0.000 1.205 1341 H CB 0.632 30.083 29.762 -0.517 0.000 1.605 1341 H HN 0.051 nan 8.280 nan 0.000 0.525 1342 D N 1.105 121.448 120.400 -0.095 0.000 2.508 1342 D HA -0.001 4.640 4.640 0.001 0.000 0.224 1342 D C 0.519 176.718 176.300 -0.169 0.000 1.171 1342 D CA 0.082 54.026 54.000 -0.092 0.000 1.006 1342 D CB 0.182 40.948 40.800 -0.057 0.000 1.073 1342 D HN 0.622 nan 8.370 nan 0.000 0.513 1343 S N 1.237 116.774 115.700 -0.271 0.000 2.486 1343 S HA 0.186 4.657 4.470 0.001 0.000 0.220 1343 S C 1.725 176.183 174.600 -0.236 0.000 1.011 1343 S CA 0.514 58.464 58.200 -0.417 0.000 0.921 1343 S CB 0.429 63.185 63.200 -0.740 0.000 0.785 1343 S HN 0.537 nan 8.310 nan 0.000 0.517 1344 G N 1.274 109.952 108.800 -0.204 0.000 2.217 1344 G HA2 -0.239 3.721 3.960 0.001 0.000 0.246 1344 G HA3 -0.239 3.721 3.960 0.001 0.000 0.246 1344 G C 0.132 174.839 174.900 -0.322 0.000 0.990 1344 G CA 0.128 45.107 45.100 -0.201 0.000 0.627 1344 G HN 0.561 nan 8.290 nan 0.000 0.522 1345 I N 1.391 121.682 120.570 -0.464 0.000 2.836 1345 I HA 0.261 4.431 4.170 0.001 0.000 0.285 1345 I C 0.823 176.438 176.117 -0.835 0.000 1.174 1345 I CA 0.155 60.969 61.300 -0.810 0.000 1.405 1345 I CB 0.707 37.967 38.000 -1.234 0.000 1.385 1345 I HN 0.023 nan 8.210 nan 0.000 0.594 1346 I N 4.705 124.790 120.570 -0.808 0.000 2.371 1346 I HA 0.151 4.322 4.170 0.001 0.000 0.282 1346 I C -0.974 174.837 176.117 -0.509 0.000 1.031 1346 I CA -0.449 60.538 61.300 -0.521 0.000 1.180 1346 I CB 0.490 38.320 38.000 -0.284 0.000 1.336 1346 I HN 0.464 nan 8.210 nan 0.000 0.467 1347 W N 6.173 127.426 121.300 -0.079 0.000 2.446 1347 W HA 0.173 4.834 4.660 0.001 0.000 0.316 1347 W C 0.183 176.671 176.519 -0.052 0.000 1.376 1347 W CA -0.459 56.873 57.345 -0.022 0.000 1.300 1347 W CB 0.056 29.490 29.460 -0.043 0.000 1.351 1347 W HN 0.310 nan 8.180 nan 0.000 0.530 1348 F N 4.817 124.785 119.950 0.029 0.000 2.506 1348 F HA 0.029 4.556 4.527 0.001 0.000 0.371 1348 F C 0.469 176.061 175.800 -0.347 0.000 1.078 1348 F CA 0.225 58.135 58.000 -0.149 0.000 1.195 1348 F CB 0.252 39.215 39.000 -0.061 0.000 1.099 1348 F HN 0.177 nan 8.300 nan 0.000 0.548 1349 D N 5.691 125.769 120.400 -0.537 0.000 2.441 1349 D HA 0.066 4.707 4.640 0.001 0.000 0.231 1349 D C 0.874 176.913 176.300 -0.435 0.000 1.073 1349 D CA -0.105 53.636 54.000 -0.431 0.000 0.850 1349 D CB 1.137 41.770 40.800 -0.277 0.000 1.062 1349 D HN 0.803 nan 8.370 nan 0.000 0.524 1350 E N 2.724 122.732 120.200 -0.320 0.000 2.118 1350 E HA -0.183 4.168 4.350 0.001 0.000 0.195 1350 E C 0.217 176.826 176.600 0.015 0.000 0.992 1350 E CA 0.969 57.364 56.400 -0.009 0.000 0.804 1350 E CB 0.191 29.997 29.700 0.177 0.000 0.741 1350 E HN 0.443 nan 8.360 nan 0.000 0.458 1351 N N 0.396 119.077 118.700 -0.032 0.000 2.378 1351 N HA 0.014 4.755 4.740 0.001 0.000 0.243 1351 N C -0.957 174.534 175.510 -0.031 0.000 1.137 1351 N CA 0.020 53.071 53.050 0.002 0.000 0.862 1351 N CB 0.627 39.121 38.487 0.012 0.000 1.116 1351 N HN -0.000 nan 8.380 nan 0.000 0.499 1352 D N 0.126 120.478 120.400 -0.080 0.000 4.135 1352 D HA 0.015 4.656 4.640 0.001 0.000 0.227 1352 D C 0.493 176.663 176.300 -0.216 0.000 1.501 1352 D CA -0.098 53.844 54.000 -0.097 0.000 1.027 1352 D CB -0.480 40.262 40.800 -0.097 0.000 1.320 1352 D HN 0.029 nan 8.370 nan 0.000 0.855 1353 M N -0.255 119.200 119.600 -0.242 0.000 2.557 1353 M HA 0.006 4.487 4.480 0.001 0.000 0.259 1353 M C 1.776 177.707 176.300 -0.615 0.000 1.086 1353 M CA 0.832 55.829 55.300 -0.505 0.000 1.096 1353 M CB 0.178 32.549 32.600 -0.381 0.000 1.424 1353 M HN 0.264 nan 8.290 nan 0.000 0.488 1354 E N 0.878 120.911 120.200 -0.278 0.000 2.076 1354 E HA -0.147 4.204 4.350 0.001 0.000 0.190 1354 E C 1.991 178.597 176.600 0.010 0.000 0.979 1354 E CA 1.587 57.984 56.400 -0.006 0.000 0.807 1354 E CB 0.196 30.035 29.700 0.231 0.000 0.761 1354 E HN 0.485 nan 8.360 nan 0.000 0.454 1355 S N -0.473 115.195 115.700 -0.054 0.000 2.423 1355 S HA -0.101 4.370 4.470 0.001 0.000 0.231 1355 S C 2.013 176.562 174.600 -0.085 0.000 1.014 1355 S CA 1.352 59.520 58.200 -0.053 0.000 0.965 1355 S CB -0.442 62.721 63.200 -0.062 0.000 0.785 1355 S HN 0.186 nan 8.310 nan 0.000 0.495 1356 T N 1.881 116.341 114.554 -0.157 0.000 2.737 1356 T HA 0.037 4.388 4.350 0.001 0.000 0.265 1356 T C 1.293 175.991 174.700 -0.002 0.000 1.038 1356 T CA 1.313 63.303 62.100 -0.183 0.000 1.144 1356 T CB -0.582 67.990 68.868 -0.492 0.000 0.866 1356 T HN 0.433 nan 8.240 nan 0.000 0.434 1357 F N 2.537 122.444 119.950 -0.072 0.000 2.171 1357 F HA -0.084 4.444 4.527 0.001 0.000 0.300 1357 F C 2.256 178.050 175.800 -0.010 0.000 1.090 1357 F CA 1.072 59.091 58.000 0.032 0.000 1.293 1357 F CB -0.357 38.610 39.000 -0.055 0.000 1.013 1357 F HN 0.032 nan 8.300 nan 0.000 0.486 1358 E N 0.098 120.222 120.200 -0.127 0.000 2.085 1358 E HA -0.209 4.142 4.350 0.001 0.000 0.194 1358 E C 2.415 178.904 176.600 -0.185 0.000 0.994 1358 E CA 0.696 56.976 56.400 -0.199 0.000 0.801 1358 E CB -0.457 29.201 29.700 -0.071 0.000 0.743 1358 E HN 0.246 nan 8.360 nan 0.000 0.453 1359 R N 0.923 121.349 120.500 -0.124 0.000 2.073 1359 R HA -0.045 4.295 4.340 0.001 0.000 0.234 1359 R C 2.449 178.692 176.300 -0.094 0.000 1.134 1359 R CA 0.826 56.873 56.100 -0.088 0.000 0.952 1359 R CB -0.841 29.414 30.300 -0.075 0.000 0.850 1359 R HN 0.255 nan 8.270 nan 0.000 0.433 1360 I N 0.801 121.261 120.570 -0.183 0.000 2.264 1360 I HA -0.326 3.845 4.170 0.001 0.000 0.248 1360 I C 2.223 178.204 176.117 -0.227 0.000 1.111 1360 I CA 1.479 62.575 61.300 -0.339 0.000 1.382 1360 I CB -0.233 37.435 38.000 -0.554 0.000 1.060 1360 I HN 0.169 nan 8.210 nan 0.000 0.418 1361 K N 0.725 120.919 120.400 -0.345 0.000 2.026 1361 K HA -0.193 4.128 4.320 0.001 0.000 0.208 1361 K C 1.982 178.527 176.600 -0.092 0.000 1.048 1361 K CA 1.545 57.664 56.287 -0.281 0.000 0.929 1361 K CB -0.181 32.066 32.500 -0.422 0.000 0.713 1361 K HN 0.371 nan 8.250 nan 0.000 0.439 1362 E N 1.050 121.208 120.200 -0.070 0.000 2.021 1362 E HA -0.220 4.131 4.350 0.001 0.000 0.200 1362 E C 2.101 178.738 176.600 0.063 0.000 1.015 1362 E CA 1.315 57.710 56.400 -0.008 0.000 0.824 1362 E CB -0.308 29.387 29.700 -0.009 0.000 0.762 1362 E HN 0.210 nan 8.360 nan 0.000 0.454 1363 L N 1.083 122.386 121.223 0.133 0.000 2.187 1363 L HA -0.187 4.154 4.340 0.001 0.000 0.213 1363 L C 2.441 179.490 176.870 0.299 0.000 1.100 1363 L CA 0.715 55.716 54.840 0.267 0.000 0.765 1363 L CB -0.265 42.029 42.059 0.392 0.000 0.904 1363 L HN 0.069 nan 8.230 nan 0.000 0.437 1364 S N -0.818 115.040 115.700 0.264 0.000 2.453 1364 S HA -0.106 4.365 4.470 0.001 0.000 0.231 1364 S C 2.085 176.718 174.600 0.056 0.000 1.005 1364 S CA 1.112 59.425 58.200 0.189 0.000 0.949 1364 S CB -0.001 63.300 63.200 0.170 0.000 0.774 1364 S HN 0.636 nan 8.310 nan 0.000 0.510 1365 S N 2.190 117.916 115.700 0.042 0.000 2.315 1365 S HA -0.022 4.448 4.470 0.001 0.000 0.211 1365 S C 0.546 175.150 174.600 0.008 0.000 1.029 1365 S CA 0.276 58.484 58.200 0.013 0.000 0.956 1365 S CB -0.699 62.505 63.200 0.006 0.000 0.918 1365 S HN 0.563 nan 8.310 nan 0.000 0.470 1366 D N 0.976 121.391 120.400 0.024 0.000 2.232 1366 D HA 0.286 4.927 4.640 0.001 0.000 0.242 1366 D C 0.483 176.807 176.300 0.040 0.000 1.093 1366 D CA -0.647 53.367 54.000 0.023 0.000 0.845 1366 D CB 1.083 41.899 40.800 0.026 0.000 1.124 1366 D HN 0.249 nan 8.370 nan 0.000 0.467 1367 R N 2.024 122.532 120.500 0.013 0.000 2.236 1367 R HA 0.048 4.389 4.340 0.001 0.000 0.208 1367 R C 1.852 178.206 176.300 0.089 0.000 1.036 1367 R CA 0.817 56.931 56.100 0.023 0.000 1.001 1367 R CB -0.067 30.208 30.300 -0.041 0.000 0.896 1367 R HN 0.589 nan 8.270 nan 0.000 0.464 1368 A N 1.584 124.442 122.820 0.063 0.000 1.858 1368 A HA -0.165 4.155 4.320 0.001 0.000 0.216 1368 A C 2.067 179.696 177.584 0.075 0.000 1.190 1368 A CA 1.102 53.176 52.037 0.062 0.000 0.617 1368 A CB -0.414 18.610 19.000 0.039 0.000 0.827 1368 A HN 0.248 nan 8.150 nan 0.000 0.443 1369 L N -1.782 119.485 121.223 0.074 0.000 2.093 1369 L HA -0.087 4.254 4.340 0.001 0.000 0.208 1369 L C 2.233 179.146 176.870 0.073 0.000 1.085 1369 L CA 2.094 56.971 54.840 0.060 0.000 0.755 1369 L CB -0.794 41.295 42.059 0.050 0.000 0.904 1369 L HN 0.514 nan 8.230 nan 0.000 0.435 1370 Y N 0.422 120.711 120.300 -0.019 0.000 2.049 1370 Y HA -0.317 4.234 4.550 0.002 0.000 0.277 1370 Y C 2.393 178.268 175.900 -0.042 0.000 1.143 1370 Y CA 2.294 60.365 58.100 -0.048 0.000 1.115 1370 Y CB -0.485 37.930 38.460 -0.075 0.000 0.975 1370 Y HN 0.327 nan 8.280 nan 0.000 0.487 1371 D N -0.148 120.367 120.400 0.193 0.000 2.309 1371 D HA -0.170 4.471 4.640 0.001 0.000 0.212 1371 D C 2.150 178.490 176.300 0.066 0.000 0.968 1371 D CA 0.811 54.888 54.000 0.127 0.000 0.882 1371 D CB -0.289 40.613 40.800 0.170 0.000 0.918 1371 D HN 0.355 nan 8.370 nan 0.000 0.503 1372 R N -0.016 120.505 120.500 0.034 0.000 2.127 1372 R HA -0.022 4.319 4.340 0.001 0.000 0.217 1372 R C 1.434 177.728 176.300 -0.009 0.000 1.074 1372 R CA 0.649 56.763 56.100 0.023 0.000 0.991 1372 R CB 0.254 30.566 30.300 0.020 0.000 0.895 1372 R HN 0.101 nan 8.270 nan 0.000 0.450 1373 E N 0.208 120.364 120.200 -0.074 0.000 2.230 1373 E HA -0.063 4.287 4.350 0.001 0.000 0.192 1373 E C 1.951 178.480 176.600 -0.120 0.000 0.987 1373 E CA 0.417 56.746 56.400 -0.118 0.000 0.841 1373 E CB 0.075 29.665 29.700 -0.184 0.000 0.783 1373 E HN 0.315 nan 8.360 nan 0.000 0.481 1374 R N 1.000 121.416 120.500 -0.140 0.000 2.070 1374 R HA -0.114 4.227 4.340 0.001 0.000 0.232 1374 R C 2.161 178.603 176.300 0.237 0.000 1.138 1374 R CA 1.069 57.157 56.100 -0.019 0.000 0.936 1374 R CB -0.221 30.076 30.300 -0.006 0.000 0.839 1374 R HN 0.112 nan 8.270 nan 0.000 0.429 1375 E N 1.220 121.564 120.200 0.239 0.000 2.086 1375 E HA -0.234 4.117 4.350 0.001 0.000 0.200 1375 E C 1.896 178.618 176.600 0.204 0.000 1.012 1375 E CA 1.572 58.093 56.400 0.202 0.000 0.812 1375 E CB -0.174 29.587 29.700 0.102 0.000 0.743 1375 E HN 0.351 nan 8.360 nan 0.000 0.453 1376 K N 0.395 120.870 120.400 0.124 0.000 2.097 1376 K HA -0.058 4.262 4.320 0.001 0.000 0.206 1376 K C 2.139 178.823 176.600 0.141 0.000 1.049 1376 K CA 1.187 57.538 56.287 0.106 0.000 0.933 1376 K CB -0.122 32.393 32.500 0.024 0.000 0.717 1376 K HN 0.090 nan 8.250 nan 0.000 0.442 1377 A N 0.439 123.328 122.820 0.115 0.000 1.929 1377 A HA -0.169 4.151 4.320 0.001 0.000 0.216 1377 A C 2.048 179.790 177.584 0.263 0.000 1.176 1377 A CA 1.066 53.175 52.037 0.120 0.000 0.628 1377 A CB -0.648 18.344 19.000 -0.013 0.000 0.816 1377 A HN 0.422 nan 8.150 nan 0.000 0.444 1378 Y N 0.637 121.061 120.300 0.206 0.000 2.163 1378 Y HA -0.182 4.369 4.550 0.002 0.000 0.288 1378 Y C 2.315 178.360 175.900 0.243 0.000 1.136 1378 Y CA 2.333 60.577 58.100 0.239 0.000 1.147 1378 Y CB -0.205 38.380 38.460 0.209 0.000 0.987 1378 Y HN 0.366 nan 8.280 nan 0.000 0.509 1379 E N -0.096 120.297 120.200 0.322 0.000 2.150 1379 E HA -0.214 4.137 4.350 0.001 0.000 0.193 1379 E C 1.909 178.689 176.600 0.300 0.000 0.985 1379 E CA 1.382 57.942 56.400 0.267 0.000 0.814 1379 E CB -0.780 29.084 29.700 0.273 0.000 0.752 1379 E HN 0.532 nan 8.360 nan 0.000 0.466 1380 F N -0.148 119.876 119.950 0.123 0.000 2.163 1380 F HA -0.065 4.463 4.527 0.002 0.000 0.297 1380 F C 1.614 177.514 175.800 0.167 0.000 1.094 1380 F CA 0.832 58.885 58.000 0.089 0.000 1.290 1380 F CB -0.128 38.846 39.000 -0.042 0.000 1.017 1380 F HN 0.078 nan 8.300 nan 0.000 0.483 1381 L N -0.545 120.752 121.223 0.124 0.000 2.217 1381 L HA -0.167 4.174 4.340 0.001 0.000 0.211 1381 L C 2.112 179.000 176.870 0.029 0.000 1.107 1381 L CA 1.417 56.284 54.840 0.045 0.000 0.783 1381 L CB -1.926 40.212 42.059 0.131 0.000 0.919 1381 L HN 0.330 nan 8.230 nan 0.000 0.442 1382 Y N 0.607 120.830 120.300 -0.127 0.000 2.133 1382 Y HA -0.302 4.249 4.550 0.002 0.000 0.287 1382 Y C 2.816 178.804 175.900 0.146 0.000 1.134 1382 Y CA 1.892 59.937 58.100 -0.092 0.000 1.133 1382 Y CB -0.132 38.204 38.460 -0.207 0.000 0.987 1382 Y HN 0.140 nan 8.280 nan 0.000 0.502 1383 Q N -0.638 119.295 119.800 0.222 0.000 2.112 1383 Q HA -0.254 4.086 4.340 0.001 0.000 0.206 1383 Q C 2.388 178.321 176.000 -0.113 0.000 0.987 1383 Q CA 2.174 58.046 55.803 0.114 0.000 0.858 1383 Q CB -0.583 28.347 28.738 0.321 0.000 0.905 1383 Q HN 0.656 nan 8.270 nan 0.000 0.420 1384 H N -1.123 117.873 119.070 -0.124 0.000 2.436 1384 H HA 0.043 4.600 4.556 0.002 0.000 0.294 1384 H C 0.844 176.064 175.328 -0.179 0.000 1.048 1384 H CA 1.421 57.338 56.048 -0.219 0.000 1.353 1384 H CB 0.594 30.247 29.762 -0.182 0.000 1.414 1384 H HN 0.289 nan 8.280 nan 0.000 0.536 1385 Q N 0.600 120.361 119.800 -0.065 0.000 1.983 1385 Q HA 0.092 4.433 4.340 0.001 0.000 0.204 1385 Q C -0.943 174.990 176.000 -0.112 0.000 0.789 1385 Q CA -0.258 55.477 55.803 -0.114 0.000 1.007 1385 Q CB 0.849 29.584 28.738 -0.005 0.000 1.229 1385 Q HN 0.254 nan 8.270 nan 0.000 0.431 1386 D N -1.074 119.229 120.400 -0.162 0.000 2.368 1386 D HA 0.070 4.711 4.640 0.001 0.000 0.240 1386 D C 0.868 177.036 176.300 -0.220 0.000 1.169 1386 D CA 0.535 54.395 54.000 -0.233 0.000 0.906 1386 D CB 1.174 41.635 40.800 -0.565 0.000 1.187 1386 D HN 0.043 nan 8.370 nan 0.000 0.435 1387 S N 0.678 116.321 115.700 -0.094 0.000 2.353 1387 S HA -0.247 4.223 4.470 0.001 0.000 0.222 1387 S C 2.124 176.709 174.600 -0.026 0.000 1.035 1387 S CA 1.374 59.593 58.200 0.031 0.000 1.025 1387 S CB -0.693 62.698 63.200 0.317 0.000 0.902 1387 S HN 0.708 nan 8.310 nan 0.000 0.440 1388 S N 1.652 117.270 115.700 -0.137 0.000 2.399 1388 S HA -0.239 4.232 4.470 0.001 0.000 0.235 1388 S C 1.510 175.961 174.600 -0.248 0.000 1.063 1388 S CA 1.843 59.906 58.200 -0.228 0.000 1.070 1388 S CB -0.817 62.044 63.200 -0.566 0.000 0.904 1388 S HN 0.445 nan 8.310 nan 0.000 0.456 1389 F N 1.064 120.967 119.950 -0.077 0.000 2.222 1389 F HA 0.282 4.810 4.527 0.001 0.000 0.285 1389 F C 3.062 178.765 175.800 -0.161 0.000 1.068 1389 F CA -0.588 57.339 58.000 -0.121 0.000 1.265 1389 F CB -1.449 37.423 39.000 -0.213 0.000 1.087 1389 F HN 0.268 nan 8.300 nan 0.000 0.511 1390 C N 0.358 119.620 119.300 -0.062 0.000 2.413 1390 C HA -0.200 4.261 4.460 0.001 0.000 0.276 1390 C C 2.759 177.550 174.990 -0.333 0.000 1.236 1390 C CA 0.803 59.688 59.018 -0.223 0.000 1.735 1390 C CB -1.566 25.973 27.740 -0.334 0.000 2.031 1390 C HN 0.384 nan 8.230 nan 0.000 0.474 1391 F N 1.225 120.894 119.950 -0.468 0.000 2.216 1391 F HA -0.146 4.382 4.527 0.001 0.000 0.300 1391 F C 2.458 177.750 175.800 -0.847 0.000 1.085 1391 F CA 1.698 59.138 58.000 -0.934 0.000 1.326 1391 F CB -0.251 37.603 39.000 -1.909 0.000 1.027 1391 F HN 0.214 nan 8.300 nan 0.000 0.497 1392 K N 0.807 121.062 120.400 -0.240 0.000 2.097 1392 K HA -0.213 4.107 4.320 0.001 0.000 0.205 1392 K C 2.008 178.669 176.600 0.101 0.000 1.050 1392 K CA 1.447 57.785 56.287 0.086 0.000 0.938 1392 K CB -0.178 32.460 32.500 0.230 0.000 0.718 1392 K HN 0.250 nan 8.250 nan 0.000 0.442 1393 E N 0.400 120.614 120.200 0.023 0.000 2.051 1393 E HA -0.260 4.091 4.350 0.001 0.000 0.192 1393 E C 1.993 178.617 176.600 0.040 0.000 0.991 1393 E CA 1.590 58.007 56.400 0.028 0.000 0.799 1393 E CB 0.049 29.742 29.700 -0.011 0.000 0.748 1393 E HN 0.441 nan 8.360 nan 0.000 0.449 1394 Q N -0.408 119.393 119.800 0.001 0.000 2.079 1394 Q HA -0.155 4.186 4.340 0.001 0.000 0.200 1394 Q C 2.024 178.098 176.000 0.123 0.000 0.974 1394 Q CA 1.519 57.348 55.803 0.043 0.000 0.840 1394 Q CB -0.288 28.389 28.738 -0.102 0.000 0.898 1394 Q HN 0.336 nan 8.270 nan 0.000 0.430 1395 F N 1.994 121.909 119.950 -0.059 0.000 2.161 1395 F HA -0.246 4.282 4.527 0.002 0.000 0.300 1395 F C 1.395 177.254 175.800 0.099 0.000 1.089 1395 F CA 1.416 59.447 58.000 0.051 0.000 1.282 1395 F CB 0.080 39.133 39.000 0.088 0.000 1.010 1395 F HN 0.021 nan 8.300 nan 0.000 0.485 1396 D N 0.565 121.030 120.400 0.109 0.000 2.149 1396 D HA -0.124 4.517 4.640 0.001 0.000 0.201 1396 D C 2.406 178.639 176.300 -0.112 0.000 0.972 1396 D CA 1.493 55.494 54.000 0.002 0.000 0.835 1396 D CB -0.275 40.579 40.800 0.089 0.000 0.966 1396 D HN 0.379 nan 8.370 nan 0.000 0.476 1397 I N 0.707 121.208 120.570 -0.115 0.000 2.353 1397 I HA -0.160 4.010 4.170 0.001 0.000 0.248 1397 I C 2.311 178.278 176.117 -0.249 0.000 1.119 1397 I CA 0.559 61.687 61.300 -0.287 0.000 1.417 1397 I CB 0.008 37.750 38.000 -0.430 0.000 1.078 1397 I HN -0.057 nan 8.210 nan 0.000 0.421 1398 I N 0.161 120.662 120.570 -0.115 0.000 2.394 1398 I HA -0.216 3.955 4.170 0.001 0.000 0.251 1398 I C 2.308 178.313 176.117 -0.186 0.000 1.136 1398 I CA 1.362 62.605 61.300 -0.095 0.000 1.425 1398 I CB -0.401 37.613 38.000 0.024 0.000 1.079 1398 I HN 0.234 nan 8.210 nan 0.000 0.425 1399 T N -0.221 114.151 114.554 -0.303 0.000 2.901 1399 T HA -0.000 4.350 4.350 0.001 0.000 0.252 1399 T C 1.186 175.797 174.700 -0.147 0.000 1.035 1399 T CA 0.658 62.592 62.100 -0.278 0.000 1.142 1399 T CB 0.255 68.854 68.868 -0.449 0.000 0.869 1399 T HN 0.035 nan 8.240 nan 0.000 0.442 1400 K N 0.000 120.323 120.400 -0.128 0.000 2.780 1400 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1400 K CA 0.000 56.245 56.287 -0.071 0.000 0.838 1400 K CB 0.000 32.475 32.500 -0.041 0.000 1.064 1400 K HN 0.000 nan 8.250 nan 0.000 0.543