============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 5 0.840 19.359 -9.387 41.074 -99.200 -91.000 TYR 30 0.840 23.681 -19.410 29.423 -99.200 -91.000 PHE 43 1.000 17.713 -14.224 27.900 -99.200 -91.000 PHE 72 1.000 38.171 -10.589 28.994 -99.200 -91.000 PHE 99 1.000 16.970 -15.894 8.331 -99.200 -91.000 TYR 103 0.840 23.013 -10.296 7.522 -99.200 -91.000 HIS 112 0.900 29.665 -11.769 18.685 -99.200 -91.000 PHE 127 1.000 8.497 -9.996 10.571 -99.200 -91.000 TYR 137 0.840 3.978 -18.764 15.729 -99.200 -91.000 PHE 138 1.000 9.005 -18.271 18.165 -99.200 -91.000 PHE 145 1.000 10.062 -2.800 38.793 -99.200 -91.000 HIS 147 0.900 6.267 -12.228 38.390 -99.200 -91.000 TYR 185 0.840 4.223 0.566 29.563 -99.200 -91.000 TYR 195 0.840 17.776 7.190 10.593 -99.200 -91.000 PHE 201 1.000 24.737 -5.343 6.585 -99.200 -91.000 PHE 206 1.000 7.499 -1.113 12.532 -99.200 -91.000 PHE 248 1.000 27.936 8.260 22.530 -99.200 -91.000 TYR 267 0.840 6.944 16.159 24.845 -99.200 -91.000 PHE 304 1.000 -1.533 17.610 14.434 -99.200 -91.000 TYR 309 0.840 4.625 4.517 15.069 -99.200 -91.000 TYR 310 0.840 -1.229 2.534 12.483 -99.200 -91.000 PHE 324 1.000 10.674 -11.039 6.150 -99.200 -91.000 TYR 329 0.840 14.470 -14.551 3.656 -99.200 -91.000 TYR 331 0.840 4.446 -21.234 6.929 -99.200 -91.000 HIS 332 0.900 7.422 -23.295 -0.031 -99.200 -91.000 HIS 337 0.900 -1.881 -27.891 -5.245 -99.200 -91.000 TYR 343 0.840 5.475 -14.251 -4.359 -99.200 -91.000 PHE 351 1.000 4.499 -11.395 7.112 -99.200 -91.000 PHE 360 1.000 -5.033 -6.333 4.205 -99.200 -91.000 PHE 364 1.000 -6.348 3.502 1.858 -99.200 -91.000 TYR 370 0.840 -7.610 5.536 -1.473 -99.200 -91.000 TYR 371 0.840 3.052 8.737 -2.388 -99.200 -91.000 TYR 374 0.840 -5.440 8.245 3.941 -99.200 -91.000 TYR 375 0.840 5.225 7.511 2.582 -99.200 -91.000 PHE 389 1.000 11.399 17.252 19.515 -99.200 -91.000 PHE 393 1.000 16.262 19.982 20.909 -99.200 -91.000 TYR 396 0.840 14.226 26.307 26.693 -99.200 -91.000 PHE 409 1.000 -0.485 -2.039 27.916 -99.200 -91.000 TYR 422 0.840 -1.923 0.934 16.777 -99.200 -91.000 PHE 455 1.000 16.213 13.638 31.571 -99.200 -91.000 PHE 460 1.000 24.596 12.608 14.612 -99.200 -91.000 TYR 466 0.840 23.995 7.807 27.632 -99.200 -91.000 TYR 470 0.840 26.084 9.757 37.331 -99.200 -91.000 TYR 472 0.840 15.178 11.990 38.300 -99.200 -91.000 TYR 476 0.840 12.854 7.201 41.912 -99.200 -91.000 HIS 479 0.900 21.207 2.839 40.514 -99.200 -91.000 TYR 482 0.840 16.575 -2.369 38.492 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g5iA1 MET 1 HA -0.10 0.04 0.16 -0.75 4.52 3.87 2g5iA1 MET 1 HB2 -0.02 0.06 -0.08 -0.04 2.15 2.07 2g5iA1 MET 1 HB3 -0.04 0.06 0.00 -0.04 2.03 2.01 2g5iA1 MET 1 HG2 0.01 -0.04 -0.02 -0.04 2.63 2.54 2g5iA1 MET 1 HG3 0.01 0.06 -0.02 -0.04 2.56 2.56 2g5iA1 MET 1 HE3 -0.01 0.02 -0.05 -0.04 2.10 2.01 2g5iA1 SER 2 H 0.00 0.18 0.06 -0.55 8.46 8.16 2g5iA1 SER 2 HA 0.04 0.06 0.33 -0.75 4.49 4.16 2g5iA1 SER 2 HB2 0.01 -0.05 0.11 -0.04 3.95 3.98 2g5iA1 SER 2 HB3 0.02 0.02 0.01 -0.04 3.93 3.93 2g5iA1 ILE 3 H -0.00 0.10 -0.12 -0.55 8.25 7.68 2g5iA1 ILE 3 HA 0.04 0.12 0.74 -0.75 4.18 4.33 2g5iA1 ILE 3 HB 0.01 -0.02 0.12 -0.04 1.89 1.96 2g5iA1 ILE 3 HG12 0.00 -0.02 -0.03 -0.04 1.49 1.40 2g5iA1 ILE 3 HG13 -0.01 -0.06 0.00 -0.04 1.21 1.10 2g5iA1 ILE 3 HG23 0.02 -0.00 -0.04 -0.04 0.93 0.86 2g5iA1 ILE 3 HD13 -0.03 0.06 -0.31 -0.04 0.88 0.56 2g5iA1 ARG 4 H -0.05 0.77 -0.48 -0.55 8.46 8.15 2g5iA1 ARG 4 HA -0.13 -0.08 0.12 -0.75 4.34 3.49 2g5iA1 ARG 4 HB2 -0.26 0.06 0.08 -0.04 1.90 1.74 2g5iA1 ARG 4 HB3 -0.14 -0.23 0.15 -0.04 1.80 1.54 2g5iA1 ARG 4 HG2 -0.19 -0.15 -0.06 -0.04 1.67 1.23 2g5iA1 ARG 4 HG3 -0.66 -0.05 -0.42 -0.04 1.67 0.51 2g5iA1 ARG 4 HD2 -1.60 -0.02 -0.07 -0.04 3.22 1.49 2g5iA1 ARG 4 HD3 -0.61 0.41 0.12 -0.04 3.22 3.10 2g5iA1 TYR 5 H 0.07 -0.04 -0.96 -0.55 8.29 6.80 2g5iA1 TYR 5 HA 0.02 0.25 0.95 -0.75 4.56 5.03 2g5iA1 TYR 5 HB2 0.02 -0.01 -0.07 -0.04 3.06 2.97 2g5iA1 TYR 5 HB3 0.05 -0.09 0.01 -0.04 2.98 2.91 2g5iA1 TYR 5 HD2 0.04 -0.03 -0.08 -0.04 7.15 7.04 2g5iA1 TYR 5 HE2 0.03 0.04 -0.19 -0.04 6.85 6.69 2g5iA1 GLU 6 H 0.07 0.43 0.08 -0.55 8.60 8.64 2g5iA1 GLU 6 HA 0.07 -0.02 0.43 -0.75 4.29 4.02 2g5iA1 GLU 6 HB2 0.03 0.13 0.10 -0.04 2.09 2.31 2g5iA1 GLU 6 HB3 0.03 -0.11 0.00 -0.04 1.99 1.87 2g5iA1 GLU 6 HG2 0.06 0.03 0.10 -0.04 2.34 2.48 2g5iA1 GLU 6 HG3 0.03 -0.01 0.01 -0.04 2.34 2.33 2g5iA1 SER 7 H 0.03 0.03 0.20 -0.55 8.46 8.17 2g5iA1 SER 7 HA 0.04 0.26 0.73 -0.75 4.49 4.77 2g5iA1 SER 7 HB2 0.03 -0.11 0.14 -0.04 3.95 3.97 2g5iA1 SER 7 HB3 0.03 0.17 0.13 -0.04 3.93 4.21 2g5iA1 VAL 8 H 0.03 0.22 0.20 -0.55 8.24 8.13 2g5iA1 VAL 8 HA 0.02 0.16 0.28 -0.75 4.13 3.83 2g5iA1 VAL 8 HB 0.02 -0.15 0.11 -0.04 2.12 2.07 2g5iA1 VAL 8 HG13 0.02 0.04 -0.08 -0.04 0.97 0.91 2g5iA1 VAL 8 HG23 0.02 0.00 0.07 -0.04 0.95 1.00 2g5iA1 GLU 9 H 0.02 0.00 -0.19 -0.55 8.60 7.89 2g5iA1 GLU 9 HA 0.02 0.14 0.35 -0.75 4.29 4.04 2g5iA1 GLU 9 HB2 0.02 -0.03 0.04 -0.04 2.09 2.07 2g5iA1 GLU 9 HB3 0.02 -0.04 0.02 -0.04 1.99 1.95 2g5iA1 GLU 9 HG2 0.01 0.02 -0.12 -0.04 2.34 2.20 2g5iA1 GLU 9 HG3 0.01 0.04 0.05 -0.04 2.34 2.40 2g5iA1 ASN 10 H 0.02 0.09 -0.17 -0.55 8.53 7.92 2g5iA1 ASN 10 HA 0.01 0.08 0.60 -0.75 4.76 4.70 2g5iA1 ASN 10 HB2 0.02 -0.06 0.15 -0.04 2.88 2.95 2g5iA1 ASN 10 HB3 0.01 0.04 0.03 -0.04 2.79 2.83 2g5iA1 ASN 10 HD21 -0.01 0.04 0.02 -0.04 7.03 7.04 2g5iA1 ASN 10 HD22 0.00 -0.01 0.06 -0.04 7.74 7.75 2g5iA1 LEU 11 H 0.02 0.82 -0.08 -0.55 8.37 8.58 2g5iA1 LEU 11 HA 0.02 -0.01 0.33 -0.75 4.35 3.94 2g5iA1 LEU 11 HB2 0.02 -0.04 -0.14 -0.04 1.64 1.44 2g5iA1 LEU 11 HB3 0.02 0.06 -0.14 -0.04 1.64 1.53 2g5iA1 LEU 11 HG 0.03 0.07 -0.16 -0.04 1.64 1.54 2g5iA1 LEU 11 HD13 0.02 -0.03 0.01 -0.04 0.93 0.89 2g5iA1 LEU 11 HD23 0.00 0.01 -0.08 -0.04 0.89 0.78 2g5iA1 LEU 12 H 0.02 0.17 -0.79 -0.55 8.37 7.22 2g5iA1 LEU 12 HA 0.05 0.20 0.52 -0.75 4.35 4.37 2g5iA1 LEU 12 HB2 0.03 0.17 0.06 -0.04 1.64 1.85 2g5iA1 LEU 12 HB3 0.02 -0.04 0.20 -0.04 1.64 1.78 2g5iA1 LEU 12 HG 0.02 -0.05 -0.13 -0.04 1.64 1.43 2g5iA1 LEU 12 HD13 0.08 0.02 -0.14 -0.04 0.93 0.84 2g5iA1 LEU 12 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.81 2g5iA1 THR 13 H 0.01 0.43 0.14 -0.55 8.28 8.31 2g5iA1 THR 13 HA -0.01 0.04 0.39 -0.75 4.39 4.06 2g5iA1 THR 13 HB -0.00 -0.01 0.04 -0.04 4.32 4.31 2g5iA1 THR 13 HG23 -0.00 0.03 0.11 -0.04 1.22 1.32 2g5iA1 LEU 14 H 0.01 0.59 -0.24 -0.55 8.37 8.18 2g5iA1 LEU 14 HA 0.01 -0.01 0.29 -0.75 4.35 3.88 2g5iA1 LEU 14 HB2 0.01 0.11 0.08 -0.04 1.64 1.81 2g5iA1 LEU 14 HB3 0.02 0.08 -0.08 -0.04 1.64 1.62 2g5iA1 LEU 14 HG 0.01 -0.08 -0.02 -0.04 1.64 1.52 2g5iA1 LEU 14 HD13 0.01 -0.00 -0.00 -0.04 0.93 0.89 2g5iA1 LEU 14 HD23 0.02 -0.01 -0.08 -0.04 0.89 0.79 2g5iA1 ILE 15 H 0.02 0.67 -0.71 -0.55 8.25 7.68 2g5iA1 ILE 15 HA 0.03 0.09 0.85 -0.75 4.18 4.39 2g5iA1 ILE 15 HB 0.06 0.23 0.16 -0.04 1.89 2.31 2g5iA1 ILE 15 HG12 0.06 -0.12 -0.15 -0.04 1.49 1.24 2g5iA1 ILE 15 HG13 0.05 0.06 -0.12 -0.04 1.21 1.15 2g5iA1 ILE 15 HG23 0.13 -0.01 -0.14 -0.04 0.93 0.87 2g5iA1 ILE 15 HD13 0.10 -0.03 -0.06 -0.04 0.88 0.86 2g5iA1 LYS 16 H -0.02 0.46 0.17 -0.55 8.42 8.47 2g5iA1 LYS 16 HA -0.12 0.06 0.43 -0.75 4.32 3.94 2g5iA1 LYS 16 HB2 -0.04 -0.02 0.08 -0.04 1.87 1.86 2g5iA1 LYS 16 HB3 -0.04 -0.02 0.03 -0.04 1.79 1.72 2g5iA1 LYS 16 HG2 -0.07 -0.03 0.03 -0.04 1.46 1.35 2g5iA1 LYS 16 HG3 -0.13 0.05 0.08 -0.04 1.46 1.42 2g5iA1 LYS 16 HD2 -0.06 0.04 -0.01 -0.04 1.69 1.63 2g5iA1 LYS 16 HD3 -0.04 0.02 -0.08 -0.04 1.68 1.53 2g5iA1 LYS 16 HE2 -0.02 -0.06 -0.02 -0.04 2.99 2.85 2g5iA1 LYS 16 HE3 -0.03 -0.01 -0.01 -0.04 2.99 2.90 2g5iA1 ASP 17 H -0.02 0.63 -0.18 -0.55 8.40 8.29 2g5iA1 ASP 17 HA -0.02 0.11 0.56 -0.75 4.63 4.52 2g5iA1 ASP 17 HB2 -0.01 -0.02 -0.05 -0.04 2.71 2.59 2g5iA1 ASP 17 HB3 -0.01 -0.04 0.04 -0.04 2.70 2.66 2g5iA1 LYS 18 H -0.02 0.39 -0.63 -0.55 8.42 7.61 2g5iA1 LYS 18 HA 0.00 0.12 0.31 -0.75 4.32 4.00 2g5iA1 LYS 18 HB2 -0.01 0.15 -0.02 -0.04 1.87 1.95 2g5iA1 LYS 18 HB3 -0.00 -0.10 0.14 -0.04 1.79 1.78 2g5iA1 LYS 18 HG2 -0.03 0.06 -0.01 -0.04 1.46 1.44 2g5iA1 LYS 18 HG3 -0.03 0.09 -0.35 -0.04 1.46 1.12 2g5iA1 LYS 18 HD2 -0.01 -0.11 0.00 -0.04 1.69 1.54 2g5iA1 LYS 18 HD3 -0.03 0.18 0.06 -0.04 1.68 1.85 2g5iA1 LYS 18 HE2 -0.03 0.05 0.01 -0.04 2.99 2.98 2g5iA1 LYS 18 HE3 -0.02 -0.02 -0.04 -0.04 2.99 2.87 2g5iA1 LYS 19 H 0.00 0.29 -0.01 -0.55 8.42 8.15 2g5iA1 LYS 19 HA 0.01 0.14 0.72 -0.75 4.32 4.43 2g5iA1 LYS 19 HB2 0.01 0.07 0.07 -0.04 1.87 1.97 2g5iA1 LYS 19 HB3 0.01 -0.07 0.03 -0.04 1.79 1.72 2g5iA1 LYS 19 HG2 0.00 0.04 -0.09 -0.04 1.46 1.37 2g5iA1 LYS 19 HG3 0.00 0.00 -0.17 -0.04 1.46 1.25 2g5iA1 LYS 19 HD2 0.01 -0.03 -0.02 -0.04 1.69 1.61 2g5iA1 LYS 19 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.59 2g5iA1 LYS 19 HE2 0.00 0.02 -0.04 -0.04 2.99 2.93 2g5iA1 LYS 19 HE3 0.00 0.00 -0.07 -0.04 2.99 2.89 2g5iA1 ILE 20 H 0.02 0.31 0.21 -0.55 8.25 8.24 2g5iA1 ILE 20 HA 0.02 0.12 0.84 -0.75 4.18 4.40 2g5iA1 ILE 20 HB 0.02 -0.01 -0.09 -0.04 1.89 1.77 2g5iA1 ILE 20 HG12 0.02 -0.01 -0.11 -0.04 1.49 1.35 2g5iA1 ILE 20 HG13 0.02 0.06 -0.17 -0.04 1.21 1.08 2g5iA1 ILE 20 HG23 0.03 0.12 -0.20 -0.04 0.93 0.84 2g5iA1 ILE 20 HD13 0.01 -0.02 -0.00 -0.04 0.88 0.83 2g5iA1 LYS 21 H 0.02 0.09 0.12 -0.55 8.42 8.10 2g5iA1 LYS 21 HA 0.05 0.37 0.86 -0.75 4.32 4.84 2g5iA1 LYS 21 HB2 0.02 -0.09 0.12 -0.04 1.87 1.88 2g5iA1 LYS 21 HB3 0.03 -0.07 0.05 -0.04 1.79 1.76 2g5iA1 LYS 21 HG2 0.03 0.10 -0.05 -0.04 1.46 1.50 2g5iA1 LYS 21 HG3 0.02 0.05 -0.22 -0.04 1.46 1.26 2g5iA1 LYS 21 HD2 0.01 0.08 -0.05 -0.04 1.69 1.69 2g5iA1 LYS 21 HD3 0.02 -0.04 -0.01 -0.04 1.68 1.60 2g5iA1 LYS 21 HE2 0.02 -0.12 -0.02 -0.04 2.99 2.83 2g5iA1 LYS 21 HE3 0.02 0.06 -0.02 -0.04 2.99 3.01 2g5iA1 PRO 22 HA 0.05 0.17 0.43 -0.51 4.44 4.58 2g5iA1 PRO 22 HB2 0.04 -0.03 0.06 -0.04 2.28 2.31 2g5iA1 PRO 22 HB3 0.01 0.10 0.08 -0.04 2.02 2.17 2g5iA1 PRO 22 HG2 0.24 0.12 -0.21 -0.04 2.03 2.14 2g5iA1 PRO 22 HG3 0.26 0.15 0.01 -0.04 2.03 2.41 2g5iA1 PRO 22 HD2 0.08 0.04 0.20 -0.04 3.68 3.97 2g5iA1 PRO 22 HD3 0.10 0.35 0.25 -0.04 3.65 4.31 2g5iA1 SER 23 H 0.03 0.17 -0.20 -0.55 8.46 7.91 2g5iA1 SER 23 HA 0.02 0.10 0.45 -0.75 4.49 4.31 2g5iA1 SER 23 HB2 0.02 0.02 0.03 -0.04 3.95 3.98 2g5iA1 SER 23 HB3 0.01 0.01 -0.06 -0.04 3.93 3.86 2g5iA1 ASP 24 H 0.02 0.23 -0.40 -0.55 8.40 7.71 2g5iA1 ASP 24 HA 0.02 0.09 0.53 -0.75 4.63 4.51 2g5iA1 ASP 24 HB2 0.02 0.13 0.20 -0.04 2.71 3.02 2g5iA1 ASP 24 HB3 0.01 0.02 0.02 -0.04 2.70 2.71 2g5iA1 VAL 25 H 0.02 0.54 -0.02 -0.55 8.24 8.23 2g5iA1 VAL 25 HA -0.01 -0.02 0.34 -0.75 4.13 3.70 2g5iA1 VAL 25 HB -0.00 0.15 0.11 -0.04 2.12 2.34 2g5iA1 VAL 25 HG13 -0.01 -0.00 -0.03 -0.04 0.97 0.88 2g5iA1 VAL 25 HG23 0.03 0.06 -0.08 -0.04 0.95 0.91 2g5iA1 VAL 26 H 0.00 0.47 -0.22 -0.55 8.24 7.94 2g5iA1 VAL 26 HA -0.06 0.02 0.37 -0.75 4.13 3.70 2g5iA1 VAL 26 HB 0.05 0.08 0.06 -0.04 2.12 2.27 2g5iA1 VAL 26 HG13 0.19 -0.03 -0.16 -0.04 0.97 0.93 2g5iA1 VAL 26 HG23 0.00 0.11 0.01 -0.04 0.95 1.04 2g5iA1 LYS 27 H 0.03 0.30 -0.41 -0.55 8.42 7.78 2g5iA1 LYS 27 HA 0.08 -0.05 0.38 -0.75 4.32 3.97 2g5iA1 LYS 27 HB2 0.02 0.15 0.30 -0.04 1.87 2.30 2g5iA1 LYS 27 HB3 0.01 0.06 0.08 -0.04 1.79 1.90 2g5iA1 LYS 27 HG2 0.02 -0.04 0.04 -0.04 1.46 1.43 2g5iA1 LYS 27 HG3 0.01 -0.04 0.01 -0.04 1.46 1.40 2g5iA1 LYS 27 HD2 0.01 -0.02 0.01 -0.04 1.69 1.65 2g5iA1 LYS 27 HD3 0.02 0.05 0.01 -0.04 1.68 1.72 2g5iA1 LYS 27 HE2 0.08 0.03 0.13 -0.04 2.99 3.19 2g5iA1 LYS 27 HE3 0.02 -0.04 0.02 -0.04 2.99 2.95 2g5iA1 ASP 28 H -0.01 0.62 -0.26 -0.55 8.40 8.21 2g5iA1 ASP 28 HA -0.02 0.04 0.43 -0.75 4.63 4.33 2g5iA1 ASP 28 HB2 -0.03 0.15 0.22 -0.04 2.71 3.02 2g5iA1 ASP 28 HB3 -0.05 -0.02 -0.08 -0.04 2.70 2.51 2g5iA1 ILE 29 H -0.10 0.60 0.03 -0.55 8.25 8.23 2g5iA1 ILE 29 HA -0.16 0.06 0.30 -0.75 4.18 3.63 2g5iA1 ILE 29 HB -0.40 0.02 0.21 -0.04 1.89 1.68 2g5iA1 ILE 29 HG12 -0.12 0.28 0.05 -0.04 1.49 1.65 2g5iA1 ILE 29 HG13 -0.17 -0.10 0.02 -0.04 1.21 0.93 2g5iA1 ILE 29 HG23 -0.44 0.04 -0.08 -0.04 0.93 0.40 2g5iA1 ILE 29 HD13 -0.11 0.01 -0.09 -0.04 0.88 0.65 2g5iA1 TYR 30 H -0.28 0.44 -0.06 -0.55 8.29 7.85 2g5iA1 TYR 30 HA -0.15 -0.09 0.38 -0.75 4.56 3.95 2g5iA1 TYR 30 HB2 -0.07 0.15 0.09 -0.04 3.06 3.19 2g5iA1 TYR 30 HB3 -0.09 -0.06 0.03 -0.04 2.98 2.82 2g5iA1 TYR 30 HD2 -0.12 0.07 0.02 -0.04 7.15 7.08 2g5iA1 TYR 30 HE2 -0.11 -0.03 -0.00 -0.04 6.85 6.66 2g5iA1 ASP 31 H 0.01 0.48 -0.34 -0.55 8.40 8.01 2g5iA1 ASP 31 HA 0.00 -0.09 0.43 -0.75 4.63 4.22 2g5iA1 ASP 31 HB2 -0.01 0.34 0.34 -0.04 2.71 3.33 2g5iA1 ASP 31 HB3 -0.02 -0.03 0.04 -0.04 2.70 2.66 2g5iA1 ALA 32 H -0.07 0.61 0.02 -0.55 8.40 8.42 2g5iA1 ALA 32 HA -0.06 -0.01 0.39 -0.75 4.34 3.91 2g5iA1 ALA 32 HB3 -0.12 0.06 0.19 -0.04 1.41 1.49 2g5iA1 ILE 33 H -0.13 0.59 0.05 -0.55 8.25 8.20 2g5iA1 ILE 33 HA -0.09 -0.07 0.38 -0.75 4.18 3.64 2g5iA1 ILE 33 HB -0.14 0.04 0.15 -0.04 1.89 1.91 2g5iA1 ILE 33 HG12 -0.36 -0.05 0.01 -0.04 1.49 1.04 2g5iA1 ILE 33 HG13 -0.28 0.28 -0.00 -0.04 1.21 1.17 2g5iA1 ILE 33 HG23 -0.32 -0.04 -0.15 -0.04 0.93 0.39 2g5iA1 ILE 33 HD13 -0.76 -0.03 -0.10 -0.04 0.88 -0.06 2g5iA1 GLU 34 H -0.03 0.77 0.00 -0.55 8.60 8.79 2g5iA1 GLU 34 HA -0.04 -0.08 0.38 -0.75 4.29 3.80 2g5iA1 GLU 34 HB2 -0.01 0.16 0.15 -0.04 2.09 2.35 2g5iA1 GLU 34 HB3 -0.02 -0.09 0.07 -0.04 1.99 1.91 2g5iA1 GLU 34 HG2 -0.03 -0.12 0.06 -0.04 2.34 2.21 2g5iA1 GLU 34 HG3 0.02 0.16 0.16 -0.04 2.34 2.65 2g5iA1 GLU 35 H -0.03 0.55 -0.31 -0.55 8.60 8.26 2g5iA1 GLU 35 HA -0.02 0.03 0.72 -0.75 4.29 4.28 2g5iA1 GLU 35 HB2 -0.01 -0.12 0.09 -0.04 2.09 2.01 2g5iA1 GLU 35 HB3 -0.02 0.24 0.18 -0.04 1.99 2.35 2g5iA1 GLU 35 HG2 -0.00 0.05 -0.29 -0.04 2.34 2.05 2g5iA1 GLU 35 HG3 -0.00 -0.09 0.09 -0.04 2.34 2.29 2g5iA1 THR 36 H -0.03 0.43 0.10 -0.55 8.28 8.22 2g5iA1 THR 36 HA -0.02 0.17 1.11 -0.75 4.39 4.90 2g5iA1 THR 36 HB -0.03 0.09 -0.00 -0.04 4.32 4.34 2g5iA1 THR 36 HG23 -0.00 -0.01 -0.13 -0.04 1.22 1.03 2g5iA1 ASP 37 H -0.02 0.73 0.32 -0.55 8.40 8.88 2g5iA1 ASP 37 HA 0.03 -0.09 0.49 -0.75 4.63 4.31 2g5iA1 ASP 37 HB2 0.02 0.01 0.16 -0.04 2.71 2.86 2g5iA1 ASP 37 HB3 -0.01 0.15 -0.01 -0.04 2.70 2.78 2g5iA1 PRO 38 HA -0.01 0.09 0.56 -0.51 4.44 4.57 2g5iA1 PRO 38 HB2 -0.02 0.05 -0.08 -0.04 2.28 2.19 2g5iA1 PRO 38 HB3 -0.02 -0.02 0.05 -0.04 2.02 1.99 2g5iA1 PRO 38 HG2 -0.02 0.20 0.00 -0.04 2.03 2.17 2g5iA1 PRO 38 HG3 -0.02 -0.04 -0.05 -0.04 2.03 1.87 2g5iA1 PRO 38 HD2 -0.02 0.15 -0.44 -0.04 3.68 3.33 2g5iA1 PRO 38 HD3 -0.02 0.27 -0.07 -0.04 3.65 3.78 2g5iA1 THR 39 H -0.05 0.33 -0.24 -0.55 8.28 7.78 2g5iA1 THR 39 HA -0.08 0.10 0.57 -0.75 4.39 4.22 2g5iA1 THR 39 HB -0.15 0.14 0.14 -0.04 4.32 4.41 2g5iA1 THR 39 HG23 -0.37 -0.01 -0.07 -0.04 1.22 0.73 2g5iA1 ILE 40 H -0.07 0.36 0.07 -0.55 8.25 8.06 2g5iA1 ILE 40 HA -0.08 0.11 0.45 -0.75 4.18 3.90 2g5iA1 ILE 40 HB 0.00 -0.11 0.03 -0.04 1.89 1.77 2g5iA1 ILE 40 HG12 -0.07 0.12 -0.01 -0.04 1.49 1.50 2g5iA1 ILE 40 HG13 -0.00 0.02 -0.10 -0.04 1.21 1.09 2g5iA1 ILE 40 HG23 0.01 0.00 -0.27 -0.04 0.93 0.64 2g5iA1 ILE 40 HD13 -0.03 0.02 -0.19 -0.04 0.88 0.64 2g5iA1 LYS 41 H 0.01 0.34 -0.06 -0.55 8.42 8.15 2g5iA1 LYS 41 HA 0.04 0.15 0.30 -0.75 4.32 4.05 2g5iA1 LYS 41 HB2 0.00 0.27 -0.36 -0.04 1.87 1.75 2g5iA1 LYS 41 HB3 0.02 -0.15 -0.04 -0.04 1.79 1.58 2g5iA1 LYS 41 HG2 0.01 -0.08 -0.03 -0.04 1.46 1.32 2g5iA1 LYS 41 HG3 -0.01 0.14 -0.30 -0.04 1.46 1.25 2g5iA1 LYS 41 HD2 0.01 -0.15 -0.06 -0.04 1.69 1.44 2g5iA1 LYS 41 HD3 -0.00 -0.07 -0.01 -0.04 1.68 1.56 2g5iA1 LYS 41 HE2 -0.02 0.18 -0.10 -0.04 2.99 3.01 2g5iA1 LYS 41 HE3 -0.01 0.15 -0.11 -0.04 2.99 2.98 2g5iA1 SER 42 H 0.07 0.05 -0.11 -0.55 8.46 7.92 2g5iA1 SER 42 HA -0.02 0.08 0.48 -0.75 4.49 4.27 2g5iA1 SER 42 HB2 -0.14 0.00 0.07 -0.04 3.95 3.84 2g5iA1 SER 42 HB3 -0.02 0.09 -0.07 -0.04 3.93 3.89 2g5iA1 PHE 43 H 0.27 0.07 -0.10 -0.55 8.34 8.02 2g5iA1 PHE 43 HA -0.02 0.08 0.70 -0.75 4.62 4.63 2g5iA1 PHE 43 HB2 -0.02 0.02 -0.07 -0.04 3.15 3.03 2g5iA1 PHE 43 HB3 -0.02 0.02 -0.20 -0.04 3.06 2.82 2g5iA1 PHE 43 HD2 -0.02 -0.05 -0.20 -0.04 7.28 6.98 2g5iA1 PHE 43 HE2 -0.05 -0.01 -0.18 -0.04 7.38 7.10 2g5iA1 PHE 43 HZ -0.09 0.10 -0.21 -0.04 7.32 7.08 2g5iA1 LEU 44 H 0.18 0.51 0.13 -0.55 8.37 8.65 2g5iA1 LEU 44 HA -0.01 0.23 0.85 -0.75 4.35 4.66 2g5iA1 LEU 44 HB2 0.02 0.07 0.07 -0.04 1.64 1.75 2g5iA1 LEU 44 HB3 -0.08 -0.03 0.03 -0.04 1.64 1.51 2g5iA1 LEU 44 HG 0.04 -0.02 -0.36 -0.04 1.64 1.26 2g5iA1 LEU 44 HD13 0.15 -0.03 -0.08 -0.04 0.93 0.93 2g5iA1 LEU 44 HD23 0.04 0.06 -0.04 -0.04 0.89 0.90 2g5iA1 ALA 45 H 0.01 0.12 0.21 -0.55 8.40 8.20 2g5iA1 ALA 45 HA -0.05 0.16 0.76 -0.75 4.34 4.45 2g5iA1 ALA 45 HB3 -0.02 0.01 0.11 -0.04 1.41 1.47 2g5iA1 LEU 46 H -0.02 0.20 0.21 -0.55 8.37 8.21 2g5iA1 LEU 46 HA 0.07 0.12 0.91 -0.75 4.35 4.69 2g5iA1 LEU 46 HB2 -0.04 0.04 0.12 -0.04 1.64 1.72 2g5iA1 LEU 46 HB3 -0.03 -0.09 0.04 -0.04 1.64 1.52 2g5iA1 LEU 46 HG -0.08 0.03 -0.05 -0.04 1.64 1.49 2g5iA1 LEU 46 HD13 -0.01 0.05 -0.39 -0.04 0.93 0.54 2g5iA1 LEU 46 HD23 -0.08 0.01 -0.06 -0.04 0.89 0.72 2g5iA1 ASP 47 H 0.09 0.63 0.24 -0.55 8.40 8.82 2g5iA1 ASP 47 HA -0.01 0.12 0.81 -0.75 4.63 4.80 2g5iA1 ASP 47 HB2 0.04 -0.03 -0.17 -0.04 2.71 2.51 2g5iA1 ASP 47 HB3 0.08 0.26 0.03 -0.04 2.70 3.02 2g5iA1 LYS 48 H -0.15 0.16 -0.07 -0.55 8.42 7.81 2g5iA1 LYS 48 HA -0.42 0.15 0.49 -0.75 4.32 3.78 2g5iA1 LYS 48 HB2 -0.79 0.05 0.12 -0.04 1.87 1.21 2g5iA1 LYS 48 HB3 -0.36 -0.03 0.13 -0.04 1.79 1.50 2g5iA1 LYS 48 HG2 -0.43 -0.03 -0.18 -0.04 1.46 0.78 2g5iA1 LYS 48 HG3 -1.47 0.03 0.05 -0.04 1.46 0.02 2g5iA1 LYS 48 HD2 -0.59 0.03 0.02 -0.04 1.69 1.11 2g5iA1 LYS 48 HD3 -0.32 -0.00 -0.00 -0.04 1.68 1.31 2g5iA1 LYS 48 HE2 -0.20 -0.03 -0.03 -0.04 2.99 2.69 2g5iA1 LYS 48 HE3 -0.25 0.03 -0.01 -0.04 2.99 2.71 2g5iA1 GLU 49 H -0.13 0.15 -0.01 -0.55 8.60 8.06 2g5iA1 GLU 49 HA -0.09 0.07 0.41 -0.75 4.29 3.92 2g5iA1 GLU 49 HB2 -0.06 0.00 0.11 -0.04 2.09 2.10 2g5iA1 GLU 49 HB3 -0.05 0.06 -0.02 -0.04 1.99 1.93 2g5iA1 GLU 49 HG2 -0.08 -0.00 0.06 -0.04 2.34 2.27 2g5iA1 GLU 49 HG3 -0.08 0.00 0.07 -0.04 2.34 2.29 2g5iA1 ASN 50 H -0.03 0.13 -0.22 -0.55 8.53 7.86 2g5iA1 ASN 50 HA -0.01 0.06 0.45 -0.75 4.76 4.51 2g5iA1 ASN 50 HB2 0.00 0.07 0.03 -0.04 2.88 2.94 2g5iA1 ASN 50 HB3 0.00 0.04 0.03 -0.04 2.79 2.82 2g5iA1 ASN 50 HD21 -0.02 0.05 -0.00 -0.04 7.03 7.01 2g5iA1 ASN 50 HD22 -0.02 -0.06 0.02 -0.04 7.74 7.64 2g5iA1 ALA 51 H 0.02 0.25 -0.46 -0.55 8.40 7.67 2g5iA1 ALA 51 HA 0.05 0.06 0.48 -0.75 4.34 4.19 2g5iA1 ALA 51 HB3 0.19 0.08 0.12 -0.04 1.41 1.76 2g5iA1 ILE 52 H 0.01 0.63 0.11 -0.55 8.25 8.44 2g5iA1 ILE 52 HA 0.03 0.02 0.40 -0.75 4.18 3.88 2g5iA1 ILE 52 HB -0.03 0.10 0.22 -0.04 1.89 2.14 2g5iA1 ILE 52 HG12 -0.03 -0.01 0.02 -0.04 1.49 1.43 2g5iA1 ILE 52 HG13 0.02 -0.01 0.04 -0.04 1.21 1.22 2g5iA1 ILE 52 HG23 -0.01 -0.01 -0.16 -0.04 0.93 0.71 2g5iA1 ILE 52 HD13 -0.13 0.03 -0.01 -0.04 0.88 0.73 2g5iA1 LYS 53 H -0.01 0.51 -0.05 -0.55 8.42 8.31 2g5iA1 LYS 53 HA -0.01 -0.03 0.35 -0.75 4.32 3.87 2g5iA1 LYS 53 HB2 -0.02 -0.01 0.11 -0.04 1.87 1.92 2g5iA1 LYS 53 HB3 -0.01 0.09 0.09 -0.04 1.79 1.92 2g5iA1 LYS 53 HG2 -0.02 -0.02 -0.02 -0.04 1.46 1.37 2g5iA1 LYS 53 HG3 -0.01 0.06 -0.23 -0.04 1.46 1.24 2g5iA1 LYS 53 HD2 -0.01 -0.03 0.02 -0.04 1.69 1.62 2g5iA1 LYS 53 HD3 -0.01 -0.04 0.08 -0.04 1.68 1.66 2g5iA1 LYS 53 HE2 -0.01 -0.00 -0.00 -0.04 2.99 2.93 2g5iA1 LYS 53 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 2g5iA1 LYS 54 H 0.00 0.31 -0.67 -0.55 8.42 7.50 2g5iA1 LYS 54 HA -0.02 -0.00 0.43 -0.75 4.32 3.98 2g5iA1 LYS 54 HB2 0.01 0.12 0.16 -0.04 1.87 2.12 2g5iA1 LYS 54 HB3 0.00 0.11 0.13 -0.04 1.79 1.99 2g5iA1 LYS 54 HG2 0.01 -0.00 -0.03 -0.04 1.46 1.39 2g5iA1 LYS 54 HG3 -0.06 -0.03 -0.13 -0.04 1.46 1.20 2g5iA1 LYS 54 HD2 -0.04 -0.07 0.09 -0.04 1.69 1.63 2g5iA1 LYS 54 HD3 -0.01 -0.01 0.03 -0.04 1.68 1.64 2g5iA1 LYS 54 HE2 0.06 -0.01 0.00 -0.04 2.99 3.00 2g5iA1 LYS 54 HE3 -0.02 0.04 -0.02 -0.04 2.99 2.95 2g5iA1 ALA 55 H -0.00 0.59 0.01 -0.55 8.40 8.45 2g5iA1 ALA 55 HA -0.05 0.04 0.39 -0.75 4.34 3.97 2g5iA1 ALA 55 HB3 0.01 -0.03 -0.04 -0.04 1.41 1.31 2g5iA1 GLN 56 H -0.00 0.75 0.01 -0.55 8.47 8.68 2g5iA1 GLN 56 HA 0.01 -0.08 0.33 -0.75 4.36 3.86 2g5iA1 GLN 56 HB2 -0.00 0.03 0.04 -0.04 2.15 2.18 2g5iA1 GLN 56 HB3 -0.00 0.13 0.07 -0.04 2.02 2.18 2g5iA1 GLN 56 HG2 0.00 0.01 -0.04 -0.04 2.40 2.33 2g5iA1 GLN 56 HG3 0.01 -0.06 0.05 -0.04 2.39 2.34 2g5iA1 GLN 56 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.89 2g5iA1 GLN 56 HE22 -0.00 0.01 -0.02 -0.04 7.69 7.64 2g5iA1 GLU 57 H -0.01 0.51 -0.30 -0.55 8.60 8.25 2g5iA1 GLU 57 HA 0.01 -0.05 0.41 -0.75 4.29 3.90 2g5iA1 GLU 57 HB2 -0.03 0.23 0.19 -0.04 2.09 2.44 2g5iA1 GLU 57 HB3 -0.01 -0.04 0.02 -0.04 1.99 1.92 2g5iA1 GLU 57 HG2 -0.00 -0.08 0.06 -0.04 2.34 2.27 2g5iA1 GLU 57 HG3 -0.01 0.17 0.10 -0.04 2.34 2.56 2g5iA1 LEU 58 H -0.05 0.50 -0.11 -0.55 8.37 8.17 2g5iA1 LEU 58 HA -0.01 0.00 0.43 -0.75 4.35 4.02 2g5iA1 LEU 58 HB2 -0.11 0.11 0.31 -0.04 1.64 1.91 2g5iA1 LEU 58 HB3 -0.10 -0.09 0.01 -0.04 1.64 1.42 2g5iA1 LEU 58 HG -1.37 -0.01 0.07 -0.04 1.64 0.28 2g5iA1 LEU 58 HD13 -0.23 0.08 0.04 -0.04 0.93 0.78 2g5iA1 LEU 58 HD23 -0.37 -0.00 0.02 -0.04 0.89 0.50 2g5iA1 ASP 59 H 0.04 0.54 -0.11 -0.55 8.40 8.33 2g5iA1 ASP 59 HA 0.10 0.02 0.43 -0.75 4.63 4.42 2g5iA1 ASP 59 HB2 0.03 0.20 0.17 -0.04 2.71 3.07 2g5iA1 ASP 59 HB3 0.04 -0.02 0.01 -0.04 2.70 2.69 2g5iA1 GLU 60 H 0.04 0.45 -0.07 -0.55 8.60 8.48 2g5iA1 GLU 60 HA 0.03 -0.02 0.44 -0.75 4.29 3.99 2g5iA1 GLU 60 HB2 0.04 0.22 0.22 -0.04 2.09 2.54 2g5iA1 GLU 60 HB3 0.03 -0.05 0.05 -0.04 1.99 1.98 2g5iA1 GLU 60 HG2 0.02 -0.06 0.07 -0.04 2.34 2.33 2g5iA1 GLU 60 HG3 0.02 0.13 0.12 -0.04 2.34 2.57 2g5iA1 LEU 61 H 0.10 0.47 -0.09 -0.55 8.37 8.31 2g5iA1 LEU 61 HA 0.07 -0.06 0.36 -0.75 4.35 3.97 2g5iA1 LEU 61 HB2 0.29 0.13 0.14 -0.04 1.64 2.16 2g5iA1 LEU 61 HB3 0.26 0.15 -0.01 -0.04 1.64 2.00 2g5iA1 LEU 61 HG 0.08 -0.04 0.08 -0.04 1.64 1.71 2g5iA1 LEU 61 HD13 0.10 -0.01 -0.01 -0.04 0.93 0.97 2g5iA1 LEU 61 HD23 0.08 0.02 0.09 -0.04 0.89 1.04 2g5iA1 GLN 62 H 0.15 0.38 -0.51 -0.55 8.47 7.93 2g5iA1 GLN 62 HA -0.06 0.01 0.40 -0.75 4.36 3.96 2g5iA1 GLN 62 HB2 0.17 -0.02 0.09 -0.04 2.15 2.35 2g5iA1 GLN 62 HB3 0.08 0.15 0.25 -0.04 2.02 2.46 2g5iA1 GLN 62 HG2 0.01 -0.02 -0.12 -0.04 2.40 2.22 2g5iA1 GLN 62 HG3 -0.04 0.05 0.09 -0.04 2.39 2.45 2g5iA1 GLN 62 HE21 0.05 -0.10 0.16 -0.04 6.97 7.04 2g5iA1 GLN 62 HE22 0.05 -0.02 0.05 -0.04 7.69 7.73 2g5iA1 ALA 63 H 0.04 0.47 -0.03 -0.55 8.40 8.33 2g5iA1 ALA 63 HA 0.00 0.07 0.56 -0.75 4.34 4.22 2g5iA1 ALA 63 HB3 0.02 -0.01 0.16 -0.04 1.41 1.53 2g5iA1 LYS 64 H 0.02 0.58 0.06 -0.55 8.42 8.53 2g5iA1 LYS 64 HA 0.00 0.03 0.36 -0.75 4.32 3.96 2g5iA1 LYS 64 HB2 0.02 0.02 0.08 -0.04 1.87 1.95 2g5iA1 LYS 64 HB3 0.01 -0.03 0.16 -0.04 1.79 1.89 2g5iA1 LYS 64 HG2 0.01 -0.03 0.03 -0.04 1.46 1.43 2g5iA1 LYS 64 HG3 0.02 0.10 0.04 -0.04 1.46 1.58 2g5iA1 LYS 64 HD2 0.03 0.01 -0.05 -0.04 1.69 1.63 2g5iA1 LYS 64 HD3 0.02 -0.02 0.02 -0.04 1.68 1.66 2g5iA1 LYS 64 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.93 2g5iA1 LYS 64 HE3 0.01 -0.02 0.00 -0.04 2.99 2.95 2g5iA1 ASP 65 H -0.02 0.26 -1.32 -0.55 8.40 6.77 2g5iA1 ASP 65 HA -0.05 0.11 0.27 -0.75 4.63 4.20 2g5iA1 ASP 65 HB2 -0.02 0.13 -0.20 -0.04 2.71 2.58 2g5iA1 ASP 65 HB3 -0.03 -0.10 0.23 -0.04 2.70 2.76 2g5iA1 GLN 66 H -0.01 0.32 -0.52 -0.55 8.47 7.71 2g5iA1 GLN 66 HA -0.02 0.13 0.79 -0.75 4.36 4.51 2g5iA1 GLN 66 HB2 0.04 -0.04 0.18 -0.04 2.15 2.28 2g5iA1 GLN 66 HB3 0.03 -0.08 0.14 -0.04 2.02 2.07 2g5iA1 GLN 66 HG2 0.00 0.01 -0.09 -0.04 2.40 2.28 2g5iA1 GLN 66 HG3 0.01 0.27 -0.14 -0.04 2.39 2.48 2g5iA1 GLN 66 HE21 0.01 -0.06 0.01 -0.04 6.97 6.89 2g5iA1 GLN 66 HE22 0.01 0.02 0.00 -0.04 7.69 7.68 2g5iA1 MET 67 H -0.15 0.28 -0.35 -0.55 8.47 7.70 2g5iA1 MET 67 HA -0.43 0.13 0.63 -0.75 4.52 4.10 2g5iA1 MET 67 HB2 -0.39 -0.02 0.15 -0.04 2.15 1.85 2g5iA1 MET 67 HB3 -1.30 0.00 0.00 -0.04 2.03 0.70 2g5iA1 MET 67 HG2 -0.58 -0.01 -0.21 -0.04 2.63 1.79 2g5iA1 MET 67 HG3 -0.25 -0.06 -0.18 -0.04 2.56 2.03 2g5iA1 MET 67 HE3 -0.23 0.02 -0.08 -0.04 2.10 1.77 2g5iA1 ASP 68 H 0.14 0.28 0.00 -0.55 8.40 8.27 2g5iA1 ASP 68 HA 0.03 0.11 0.69 -0.75 4.63 4.70 2g5iA1 ASP 68 HB2 0.09 0.04 0.00 -0.04 2.71 2.80 2g5iA1 ASP 68 HB3 0.05 -0.06 0.05 -0.04 2.70 2.70 2g5iA1 GLY 69 H 0.06 0.06 0.09 -0.55 8.43 8.09 2g5iA1 GLY 69 HA2 0.07 -0.03 0.41 -0.51 4.01 3.95 2g5iA1 GLY 69 HA3 0.13 0.35 0.88 -0.51 4.01 4.86 2g5iA1 LYS 70 H 0.05 0.17 0.17 -0.55 8.42 8.25 2g5iA1 LYS 70 HA 0.04 0.07 0.42 -0.75 4.32 4.09 2g5iA1 LYS 70 HB2 0.03 0.04 0.04 -0.04 1.87 1.95 2g5iA1 LYS 70 HB3 0.03 -0.01 0.13 -0.04 1.79 1.89 2g5iA1 LYS 70 HG2 0.02 -0.02 0.04 -0.04 1.46 1.46 2g5iA1 LYS 70 HG3 0.03 -0.04 0.09 -0.04 1.46 1.51 2g5iA1 LYS 70 HD2 0.03 0.02 -0.01 -0.04 1.69 1.68 2g5iA1 LYS 70 HD3 0.04 0.06 -0.06 -0.04 1.68 1.68 2g5iA1 LYS 70 HE2 0.02 -0.05 0.01 -0.04 2.99 2.92 2g5iA1 LYS 70 HE3 0.03 0.04 -0.04 -0.04 2.99 2.97 2g5iA1 LEU 71 H 0.08 0.22 -0.58 -0.55 8.37 7.54 2g5iA1 LEU 71 HA 0.06 0.10 0.52 -0.75 4.35 4.28 2g5iA1 LEU 71 HB2 0.02 0.05 -0.21 -0.04 1.64 1.45 2g5iA1 LEU 71 HB3 0.02 -0.05 0.04 -0.04 1.64 1.60 2g5iA1 LEU 71 HG 0.03 0.00 -0.63 -0.04 1.64 0.99 2g5iA1 LEU 71 HD13 0.00 -0.02 -0.13 -0.04 0.93 0.74 2g5iA1 LEU 71 HD23 0.02 -0.00 -0.03 -0.04 0.89 0.83 2g5iA1 PHE 72 H 0.20 0.20 -0.16 -0.55 8.34 8.04 2g5iA1 PHE 72 HA 0.01 0.12 0.42 -0.75 4.62 4.42 2g5iA1 PHE 72 HB2 0.01 0.17 -0.15 -0.04 3.15 3.14 2g5iA1 PHE 72 HB3 0.01 -0.06 -0.03 -0.04 3.06 2.94 2g5iA1 PHE 72 HD2 0.01 0.12 -0.28 -0.04 7.28 7.08 2g5iA1 PHE 72 HE2 0.01 -0.01 -0.05 -0.04 7.38 7.29 2g5iA1 PHE 72 HZ 0.01 0.18 -0.04 -0.04 7.32 7.42 2g5iA1 GLY 73 H -0.38 0.47 0.29 -0.55 8.43 8.27 2g5iA1 GLY 73 HA2 -0.18 -0.08 0.33 -0.51 4.01 3.56 2g5iA1 GLY 73 HA3 0.02 -0.01 0.39 -0.51 4.01 3.90 2g5iA1 ILE 74 H 0.01 0.75 -0.37 -0.55 8.25 8.09 2g5iA1 ILE 74 HA 0.01 0.09 0.56 -0.75 4.18 4.08 2g5iA1 ILE 74 HB 0.00 -0.04 0.06 -0.04 1.89 1.87 2g5iA1 ILE 74 HG12 0.06 0.29 -0.39 -0.04 1.49 1.41 2g5iA1 ILE 74 HG13 0.04 -0.13 -0.09 -0.04 1.21 0.98 2g5iA1 ILE 74 HG23 0.00 0.01 -0.07 -0.04 0.93 0.83 2g5iA1 ILE 74 HD13 0.05 -0.04 -0.30 -0.04 0.88 0.54 2g5iA1 PRO 75 HA -0.05 0.11 0.53 -0.51 4.44 4.52 2g5iA1 PRO 75 HB2 -0.05 -0.03 0.05 -0.04 2.28 2.20 2g5iA1 PRO 75 HB3 -0.10 -0.02 0.10 -0.04 2.02 1.96 2g5iA1 PRO 75 HG2 -0.06 0.03 0.01 -0.04 2.03 1.98 2g5iA1 PRO 75 HG3 -0.05 0.05 0.00 -0.04 2.03 1.98 2g5iA1 PRO 75 HD2 -0.02 0.04 0.19 -0.04 3.68 3.84 2g5iA1 PRO 75 HD3 -0.01 0.27 0.31 -0.04 3.65 4.17 2g5iA1 MET 76 H -0.03 0.39 0.44 -0.55 8.47 8.73 2g5iA1 MET 76 HA -0.02 0.24 0.79 -0.75 4.52 4.77 2g5iA1 MET 76 HB2 -0.04 -0.05 -0.12 -0.04 2.15 1.89 2g5iA1 MET 76 HB3 -0.04 0.11 -0.37 -0.04 2.03 1.68 2g5iA1 MET 76 HG2 -0.06 0.26 -0.58 -0.04 2.63 2.22 2g5iA1 MET 76 HG3 -0.05 -0.14 -0.32 -0.04 2.56 2.01 2g5iA1 MET 76 HE3 -0.32 -0.02 -0.44 -0.04 2.10 1.28 2g5iA1 GLY 77 H -0.03 0.50 0.33 -0.55 8.43 8.68 2g5iA1 GLY 77 HA2 0.03 0.17 1.07 -0.51 4.01 4.76 2g5iA1 GLY 77 HA3 -0.11 0.04 0.30 -0.51 4.01 3.73 2g5iA1 ILE 78 H -0.03 0.58 0.36 -0.55 8.25 8.61 2g5iA1 ILE 78 HA -0.05 0.10 1.16 -0.75 4.18 4.63 2g5iA1 ILE 78 HB -0.01 0.04 0.05 -0.04 1.89 1.93 2g5iA1 ILE 78 HG12 -0.03 0.01 -0.13 -0.04 1.49 1.30 2g5iA1 ILE 78 HG13 -0.03 -0.01 -0.08 -0.04 1.21 1.05 2g5iA1 ILE 78 HG23 -0.02 -0.01 -0.22 -0.04 0.93 0.64 2g5iA1 ILE 78 HD13 -0.04 -0.02 -0.49 -0.04 0.88 0.29 2g5iA1 LYS 79 H -0.04 0.28 0.24 -0.55 8.42 8.35 2g5iA1 LYS 79 HA -0.06 0.14 0.56 -0.75 4.32 4.21 2g5iA1 LYS 79 HB2 -0.03 0.33 0.37 -0.04 1.87 2.50 2g5iA1 LYS 79 HB3 -0.01 -0.08 0.07 -0.04 1.79 1.72 2g5iA1 LYS 79 HG2 -0.01 -0.22 -0.20 -0.04 1.46 0.99 2g5iA1 LYS 79 HG3 -0.02 0.14 0.03 -0.04 1.46 1.56 2g5iA1 LYS 79 HD2 -0.01 0.03 0.17 -0.04 1.69 1.84 2g5iA1 LYS 79 HD3 0.01 -0.05 0.00 -0.04 1.68 1.60 2g5iA1 LYS 79 HE2 0.01 -0.01 -0.08 -0.04 2.99 2.87 2g5iA1 LYS 79 HE3 -0.00 0.13 -0.03 -0.04 2.99 3.05 2g5iA1 ASP 80 H -0.02 0.79 0.27 -0.55 8.40 8.90 2g5iA1 ASP 80 HA 0.00 0.17 0.35 -0.75 4.63 4.40 2g5iA1 ASP 80 HB2 0.01 0.32 0.06 -0.04 2.71 3.05 2g5iA1 ASP 80 HB3 0.02 -0.12 0.07 -0.04 2.70 2.63 2g5iA1 ASN 81 H -0.00 0.27 -0.75 -0.55 8.53 7.50 2g5iA1 ASN 81 HA -0.02 0.14 0.84 -0.75 4.76 4.97 2g5iA1 ASN 81 HB2 0.00 0.11 0.10 -0.04 2.88 3.05 2g5iA1 ASN 81 HB3 -0.03 -0.07 -0.12 -0.04 2.79 2.53 2g5iA1 ASN 81 HD21 0.09 -0.08 -0.12 -0.04 7.03 6.87 2g5iA1 ASN 81 HD22 0.09 0.22 -0.06 -0.04 7.74 7.95 2g5iA1 ILE 82 H 0.01 0.31 -0.10 -0.55 8.25 7.92 2g5iA1 ILE 82 HA 0.01 0.15 0.97 -0.75 4.18 4.56 2g5iA1 ILE 82 HB -0.00 0.08 0.08 -0.04 1.89 2.00 2g5iA1 ILE 82 HG12 0.02 0.03 -0.17 -0.04 1.49 1.33 2g5iA1 ILE 82 HG13 0.01 -0.14 -0.32 -0.04 1.21 0.71 2g5iA1 ILE 82 HG23 -0.00 0.03 -0.22 -0.04 0.93 0.69 2g5iA1 ILE 82 HD13 0.00 -0.02 -0.15 -0.04 0.88 0.67 2g5iA1 ILE 83 H -0.03 0.64 0.18 -0.55 8.25 8.49 2g5iA1 ILE 83 HA -0.03 -0.03 0.29 -0.75 4.18 3.66 2g5iA1 ILE 83 HB -0.31 -0.04 0.13 -0.04 1.89 1.62 2g5iA1 ILE 83 HG12 0.05 -0.03 -0.05 -0.04 1.49 1.42 2g5iA1 ILE 83 HG13 -0.00 0.02 -0.05 -0.04 1.21 1.13 2g5iA1 ILE 83 HG23 -0.64 -0.06 -0.32 -0.04 0.93 -0.13 2g5iA1 ILE 83 HD13 0.10 -0.00 -0.10 -0.04 0.88 0.83 2g5iA1 THR 84 H -0.05 0.18 0.08 -0.55 8.28 7.93 2g5iA1 THR 84 HA -0.01 0.09 0.79 -0.75 4.39 4.50 2g5iA1 THR 84 HB 0.02 0.08 -0.03 -0.04 4.32 4.35 2g5iA1 THR 84 HG23 0.00 0.07 -0.14 -0.04 1.22 1.11 2g5iA1 ASN 85 H -0.05 0.07 0.03 -0.55 8.53 8.03 2g5iA1 ASN 85 HA -0.09 0.01 0.26 -0.75 4.76 4.19 2g5iA1 ASN 85 HB2 -0.05 -0.08 -0.11 -0.04 2.88 2.60 2g5iA1 ASN 85 HB3 -0.04 0.03 -0.06 -0.04 2.79 2.68 2g5iA1 ASN 85 HD21 0.01 0.04 -0.22 -0.04 7.03 6.81 2g5iA1 ASN 85 HD22 -0.01 -0.01 -0.21 -0.04 7.74 7.47 2g5iA1 GLY 86 H -0.08 0.34 0.12 -0.55 8.43 8.27 2g5iA1 GLY 86 HA2 -0.07 0.07 0.32 -0.51 4.01 3.82 2g5iA1 GLY 86 HA3 -0.04 0.02 0.34 -0.51 4.01 3.82 2g5iA1 LEU 87 H -0.05 0.41 -0.33 -0.55 8.37 7.85 2g5iA1 LEU 87 HA -0.02 0.17 0.78 -0.75 4.35 4.52 2g5iA1 LEU 87 HB2 -0.01 0.08 -0.02 -0.04 1.64 1.65 2g5iA1 LEU 87 HB3 -0.01 -0.22 0.13 -0.04 1.64 1.50 2g5iA1 LEU 87 HG 0.01 0.03 -0.10 -0.04 1.64 1.54 2g5iA1 LEU 87 HD13 0.04 -0.02 -0.15 -0.04 0.93 0.75 2g5iA1 LEU 87 HD23 -0.00 0.01 -0.20 -0.04 0.89 0.66 2g5iA1 GLU 88 H -0.02 0.16 -0.10 -0.55 8.60 8.10 2g5iA1 GLU 88 HA -0.04 0.23 0.28 -0.75 4.29 4.00 2g5iA1 GLU 88 HB2 -0.02 0.20 0.10 -0.04 2.09 2.33 2g5iA1 GLU 88 HB3 -0.01 -0.13 0.00 -0.04 1.99 1.81 2g5iA1 GLU 88 HG2 0.05 -0.08 -0.35 -0.04 2.34 1.92 2g5iA1 GLU 88 HG3 0.05 0.04 -0.15 -0.04 2.34 2.23 2g5iA1 THR 89 H 0.06 0.92 0.31 -0.55 8.28 9.03 2g5iA1 THR 89 HA 0.07 0.07 1.04 -0.75 4.39 4.81 2g5iA1 THR 89 HB 0.22 0.04 0.09 -0.04 4.32 4.63 2g5iA1 THR 89 HG23 0.09 -0.02 -0.27 -0.04 1.22 0.99 2g5iA1 THR 90 H 0.09 0.09 0.21 -0.55 8.28 8.11 2g5iA1 THR 90 HA 0.10 0.40 1.08 -0.75 4.39 5.22 2g5iA1 THR 90 HB 0.27 0.04 -0.01 -0.04 4.32 4.58 2g5iA1 THR 90 HG23 0.23 0.08 -0.23 -0.04 1.22 1.26 2g5iA1 CYS 91 H -0.02 0.66 0.28 -0.55 8.50 8.87 2g5iA1 CYS 91 HA -0.13 0.01 0.07 -0.75 4.58 3.77 2g5iA1 CYS 91 HB2 -0.89 0.20 -0.12 -0.04 2.97 2.12 2g5iA1 CYS 91 HB3 -0.61 -0.11 0.17 -0.04 2.97 2.38 2g5iA1 ALA 92 H 0.04 -0.07 -0.75 -0.55 8.40 7.07 2g5iA1 ALA 92 HA 0.16 0.03 0.18 -0.75 4.34 3.95 2g5iA1 ALA 92 HB3 -0.01 -0.01 -0.02 -0.04 1.41 1.32 2g5iA1 SER 93 H -0.12 0.35 -0.04 -0.55 8.46 8.10 2g5iA1 SER 93 HA -0.21 0.10 0.89 -0.75 4.49 4.51 2g5iA1 SER 93 HB2 -0.17 0.03 -0.18 -0.04 3.95 3.59 2g5iA1 SER 93 HB3 -0.36 0.09 -0.04 -0.04 3.93 3.57 2g5iA1 LYS 94 H -0.63 0.26 0.23 -0.55 8.42 7.73 2g5iA1 LYS 94 HA -0.19 0.05 0.44 -0.75 4.32 3.88 2g5iA1 LYS 94 HB2 -1.53 0.00 0.25 -0.04 1.87 0.55 2g5iA1 LYS 94 HB3 -0.60 0.12 0.25 -0.04 1.79 1.51 2g5iA1 LYS 94 HG2 -0.42 -0.03 -0.00 -0.04 1.46 0.96 2g5iA1 LYS 94 HG3 -0.36 -0.03 0.10 -0.04 1.46 1.13 2g5iA1 LYS 94 HD2 -0.80 -0.05 0.09 -0.04 1.69 0.88 2g5iA1 LYS 94 HD3 -0.62 0.41 0.15 -0.04 1.68 1.58 2g5iA1 LYS 94 HE2 -0.29 -0.05 0.00 -0.04 2.99 2.60 2g5iA1 LYS 94 HE3 0.01 -0.05 0.04 -0.04 2.99 2.95 2g5iA1 MET 95 H -0.20 0.25 -0.17 -0.55 8.47 7.81 2g5iA1 MET 95 HA -0.04 0.02 0.36 -0.75 4.52 4.10 2g5iA1 MET 95 HB2 -0.23 0.04 -0.05 -0.04 2.15 1.87 2g5iA1 MET 95 HB3 0.10 -0.02 -0.07 -0.04 2.03 2.01 2g5iA1 MET 95 HG2 -0.25 0.05 -0.04 -0.04 2.63 2.34 2g5iA1 MET 95 HG3 -0.13 0.00 -0.14 -0.04 2.56 2.25 2g5iA1 MET 95 HE3 -0.60 0.03 -0.12 -0.04 2.10 1.36 2g5iA1 LEU 96 H -0.02 0.58 -0.39 -0.55 8.37 8.00 2g5iA1 LEU 96 HA 0.16 0.15 0.97 -0.75 4.35 4.88 2g5iA1 LEU 96 HB2 -0.05 0.05 0.12 -0.04 1.64 1.72 2g5iA1 LEU 96 HB3 0.15 0.17 0.32 -0.04 1.64 2.23 2g5iA1 LEU 96 HG -0.15 -0.07 -0.38 -0.04 1.64 0.99 2g5iA1 LEU 96 HD13 -0.12 -0.00 -0.17 -0.04 0.93 0.60 2g5iA1 LEU 96 HD23 0.00 0.06 -0.00 -0.04 0.89 0.90 2g5iA1 GLU 97 H 0.15 0.53 0.04 -0.55 8.60 8.77 2g5iA1 GLU 97 HA 0.34 -0.08 0.40 -0.75 4.29 4.20 2g5iA1 GLU 97 HB2 0.38 -0.04 0.12 -0.04 2.09 2.51 2g5iA1 GLU 97 HB3 0.25 0.07 0.17 -0.04 1.99 2.44 2g5iA1 GLU 97 HG2 0.21 0.03 -0.21 -0.04 2.34 2.34 2g5iA1 GLU 97 HG3 0.40 -0.06 -0.01 -0.04 2.34 2.63 2g5iA1 GLY 98 H 0.16 0.10 0.15 -0.55 8.43 8.29 2g5iA1 GLY 98 HA2 0.08 -0.01 0.31 -0.51 4.01 3.89 2g5iA1 GLY 98 HA3 0.13 0.19 0.70 -0.51 4.01 4.51 2g5iA1 PHE 99 H 0.29 0.69 -0.28 -0.55 8.34 8.48 2g5iA1 PHE 99 HA 0.09 0.00 0.41 -0.75 4.62 4.37 2g5iA1 PHE 99 HB2 0.14 -0.06 0.11 -0.04 3.15 3.30 2g5iA1 PHE 99 HB3 0.08 0.31 0.30 -0.04 3.06 3.72 2g5iA1 PHE 99 HD2 0.09 0.05 -0.01 -0.04 7.28 7.37 2g5iA1 PHE 99 HE2 -0.02 -0.02 -0.11 -0.04 7.38 7.19 2g5iA1 PHE 99 HZ -0.08 -0.06 -0.11 -0.04 7.32 7.03 2g5iA1 VAL 100 H -0.38 0.23 0.18 -0.55 8.24 7.72 2g5iA1 VAL 100 HA -0.28 0.04 0.71 -0.75 4.13 3.84 2g5iA1 VAL 100 HB -0.15 -0.03 0.18 -0.04 2.12 2.07 2g5iA1 VAL 100 HG13 -0.11 0.02 -0.21 -0.04 0.97 0.62 2g5iA1 VAL 100 HG23 -0.06 0.13 -0.10 -0.04 0.95 0.87 2g5iA1 PRO 101 HA -0.34 0.07 0.37 -0.51 4.44 4.03 2g5iA1 PRO 101 HB2 -0.15 0.00 -0.10 -0.04 2.28 1.99 2g5iA1 PRO 101 HB3 -0.01 0.02 0.01 -0.04 2.02 1.99 2g5iA1 PRO 101 HG2 -0.03 -0.11 -0.03 -0.04 2.03 1.82 2g5iA1 PRO 101 HG3 0.08 0.09 -0.05 -0.04 2.03 2.11 2g5iA1 PRO 101 HD2 -0.19 0.10 0.08 -0.04 3.68 3.63 2g5iA1 PRO 101 HD3 -0.35 0.26 0.07 -0.04 3.65 3.60 2g5iA1 ILE 102 H 0.16 0.13 0.06 -0.55 8.25 8.05 2g5iA1 ILE 102 HA 0.02 0.22 0.90 -0.75 4.18 4.56 2g5iA1 ILE 102 HB 0.06 0.01 0.21 -0.04 1.89 2.12 2g5iA1 ILE 102 HG12 0.11 -0.04 0.04 -0.04 1.49 1.56 2g5iA1 ILE 102 HG13 0.13 -0.02 -0.06 -0.04 1.21 1.23 2g5iA1 ILE 102 HG23 -0.00 0.04 -0.08 -0.04 0.93 0.85 2g5iA1 ILE 102 HD13 0.07 0.01 0.02 -0.04 0.88 0.94 2g5iA1 TYR 103 H 0.07 0.28 -0.12 -0.55 8.29 7.97 2g5iA1 TYR 103 HA 0.06 0.15 0.40 -0.75 4.56 4.41 2g5iA1 TYR 103 HB2 0.14 0.03 0.11 -0.04 3.06 3.30 2g5iA1 TYR 103 HB3 0.08 0.12 -0.22 -0.04 2.98 2.91 2g5iA1 TYR 103 HD2 0.19 -0.02 -0.15 -0.04 7.15 7.13 2g5iA1 TYR 103 HE2 -0.39 -0.03 -0.14 -0.04 6.85 6.25 2g5iA1 GLU 104 H 0.19 0.24 0.10 -0.55 8.60 8.58 2g5iA1 GLU 104 HA -0.14 0.06 0.87 -0.75 4.29 4.33 2g5iA1 GLU 104 HB2 0.02 0.02 -0.08 -0.04 2.09 2.00 2g5iA1 GLU 104 HB3 0.08 0.03 -0.01 -0.04 1.99 2.04 2g5iA1 GLU 104 HG2 0.07 0.06 -0.14 -0.04 2.34 2.29 2g5iA1 GLU 104 HG3 0.06 0.17 -0.05 -0.04 2.34 2.49 2g5iA1 SER 105 H -0.08 0.21 0.09 -0.55 8.46 8.14 2g5iA1 SER 105 HA 0.11 0.11 0.53 -0.75 4.49 4.49 2g5iA1 SER 105 HB2 0.03 0.02 0.09 -0.04 3.95 4.05 2g5iA1 SER 105 HB3 -0.10 0.04 0.16 -0.04 3.93 3.99 2g5iA1 THR 106 H 0.28 0.43 0.14 -0.55 8.28 8.58 2g5iA1 THR 106 HA 0.12 0.09 0.39 -0.75 4.39 4.24 2g5iA1 THR 106 HB 0.16 -0.00 0.13 -0.04 4.32 4.57 2g5iA1 THR 106 HG23 0.07 0.05 -0.15 -0.04 1.22 1.15 2g5iA1 VAL 107 H 0.08 0.15 -0.09 -0.55 8.24 7.83 2g5iA1 VAL 107 HA 0.04 0.22 0.38 -0.75 4.13 4.02 2g5iA1 VAL 107 HB 0.02 0.04 -0.07 -0.04 2.12 2.06 2g5iA1 VAL 107 HG13 0.04 0.04 -0.00 -0.04 0.97 1.00 2g5iA1 VAL 107 HG23 0.02 -0.01 -0.10 -0.04 0.95 0.81 2g5iA1 MET 108 H 0.04 0.01 -0.51 -0.55 8.47 7.46 2g5iA1 MET 108 HA -0.02 0.03 0.28 -0.75 4.52 4.06 2g5iA1 MET 108 HB2 0.05 0.02 0.11 -0.04 2.15 2.29 2g5iA1 MET 108 HB3 0.14 -0.01 -0.04 -0.04 2.03 2.08 2g5iA1 MET 108 HG2 -0.00 -0.05 -0.06 -0.04 2.63 2.48 2g5iA1 MET 108 HG3 0.01 0.07 0.11 -0.04 2.56 2.71 2g5iA1 MET 108 HE3 -0.05 -0.01 -0.26 -0.04 2.10 1.75 2g5iA1 GLU 109 H 0.09 0.45 -0.11 -0.55 8.60 8.49 2g5iA1 GLU 109 HA 0.12 -0.01 0.36 -0.75 4.29 4.01 2g5iA1 GLU 109 HB2 0.09 -0.01 0.03 -0.04 2.09 2.15 2g5iA1 GLU 109 HB3 0.07 0.08 0.09 -0.04 1.99 2.19 2g5iA1 GLU 109 HG2 0.04 -0.03 -0.04 -0.04 2.34 2.28 2g5iA1 GLU 109 HG3 0.05 0.03 -0.05 -0.04 2.34 2.33 2g5iA1 LYS 110 H 0.06 0.67 -0.14 -0.55 8.42 8.46 2g5iA1 LYS 110 HA 0.05 -0.02 0.35 -0.75 4.32 3.95 2g5iA1 LYS 110 HB2 0.04 0.04 0.23 -0.04 1.87 2.14 2g5iA1 LYS 110 HB3 0.04 0.23 0.06 -0.04 1.79 2.08 2g5iA1 LYS 110 HG2 0.04 -0.06 0.05 -0.04 1.46 1.45 2g5iA1 LYS 110 HG3 0.05 -0.07 0.05 -0.04 1.46 1.45 2g5iA1 LYS 110 HD2 0.05 -0.13 -0.03 -0.04 1.69 1.54 2g5iA1 LYS 110 HD3 0.05 0.25 0.11 -0.04 1.68 2.04 2g5iA1 LYS 110 HE2 0.04 -0.18 -0.03 -0.04 2.99 2.78 2g5iA1 LYS 110 HE3 0.05 0.21 -0.13 -0.04 2.99 3.07 2g5iA1 LEU 111 H 0.00 0.66 0.01 -0.55 8.37 8.50 2g5iA1 LEU 111 HA -0.01 0.03 0.31 -0.75 4.35 3.93 2g5iA1 LEU 111 HB2 -0.15 -0.02 0.01 -0.04 1.64 1.43 2g5iA1 LEU 111 HB3 -0.10 -0.03 -0.13 -0.04 1.64 1.34 2g5iA1 LEU 111 HG -0.02 0.23 -0.04 -0.04 1.64 1.77 2g5iA1 LEU 111 HD13 -0.06 -0.03 -0.19 -0.04 0.93 0.60 2g5iA1 LEU 111 HD23 -0.01 0.00 -0.13 -0.04 0.89 0.71 2g5iA1 HIS 112 H -0.05 0.48 -0.19 -0.55 8.41 8.11 2g5iA1 HIS 112 HA -0.01 0.03 0.32 -0.75 4.63 4.21 2g5iA1 HIS 112 HB2 0.00 0.22 0.16 -0.04 3.26 3.61 2g5iA1 HIS 112 HB3 -0.00 -0.06 -0.02 -0.04 3.20 3.07 2g5iA1 HIS 112 HD2 -0.02 0.06 0.03 -0.04 6.97 6.99 2g5iA1 HIS 112 HE1 -0.01 -0.08 -0.06 -0.04 7.75 7.56 2g5iA1 LYS 113 H 0.09 0.47 -0.39 -0.55 8.42 8.04 2g5iA1 LYS 113 HA 0.05 -0.05 0.41 -0.75 4.32 3.98 2g5iA1 LYS 113 HB2 0.05 -0.04 0.11 -0.04 1.87 1.95 2g5iA1 LYS 113 HB3 0.05 0.33 0.24 -0.04 1.79 2.36 2g5iA1 LYS 113 HG2 0.04 -0.04 -0.11 -0.04 1.46 1.31 2g5iA1 LYS 113 HG3 0.03 -0.08 0.04 -0.04 1.46 1.41 2g5iA1 LYS 113 HD2 0.03 -0.04 0.00 -0.04 1.69 1.64 2g5iA1 LYS 113 HD3 0.03 0.08 -0.01 -0.04 1.68 1.74 2g5iA1 LYS 113 HE2 0.02 0.00 -0.01 -0.04 2.99 2.97 2g5iA1 LYS 113 HE3 0.03 -0.04 -0.04 -0.04 2.99 2.90 2g5iA1 GLU 114 H 0.03 0.51 -0.10 -0.55 8.60 8.51 2g5iA1 GLU 114 HA 0.05 -0.04 0.55 -0.75 4.29 4.10 2g5iA1 GLU 114 HB2 0.02 0.10 0.07 -0.04 2.09 2.24 2g5iA1 GLU 114 HB3 0.04 -0.30 0.12 -0.04 1.99 1.81 2g5iA1 GLU 114 HG2 0.03 0.30 0.05 -0.04 2.34 2.69 2g5iA1 GLU 114 HG3 0.03 -0.00 0.01 -0.04 2.34 2.33 2g5iA1 ASN 115 H 0.03 0.52 -0.72 -0.55 8.53 7.81 2g5iA1 ASN 115 HA -0.03 0.12 0.27 -0.75 4.76 4.36 2g5iA1 ASN 115 HB2 0.03 0.12 -0.23 -0.04 2.88 2.77 2g5iA1 ASN 115 HB3 -0.32 -0.27 0.29 -0.04 2.79 2.45 2g5iA1 ASN 115 HD21 0.08 -0.11 0.04 -0.04 7.03 7.00 2g5iA1 ASN 115 HD22 0.14 0.31 0.01 -0.04 7.74 8.16 2g5iA1 ALA 116 H -0.04 0.20 -0.36 -0.55 8.40 7.66 2g5iA1 ALA 116 HA -0.04 0.28 0.51 -0.75 4.34 4.33 2g5iA1 ALA 116 HB3 -0.06 -0.04 -0.20 -0.04 1.41 1.07 2g5iA1 VAL 117 H -0.05 0.91 0.06 -0.55 8.24 8.61 2g5iA1 VAL 117 HA -0.02 0.17 0.85 -0.75 4.13 4.38 2g5iA1 VAL 117 HB -0.04 -0.03 -0.17 -0.04 2.12 1.84 2g5iA1 VAL 117 HG13 0.01 -0.02 -0.26 -0.04 0.97 0.67 2g5iA1 VAL 117 HG23 -0.06 0.02 -0.28 -0.04 0.95 0.58 2g5iA1 LEU 118 H 0.02 0.21 0.03 -0.55 8.37 8.08 2g5iA1 LEU 118 HA -0.02 0.14 0.58 -0.75 4.35 4.30 2g5iA1 LEU 118 HB2 -0.03 0.02 -0.00 -0.04 1.64 1.59 2g5iA1 LEU 118 HB3 0.08 0.01 0.11 -0.04 1.64 1.80 2g5iA1 LEU 118 HG 0.01 -0.03 -0.10 -0.04 1.64 1.48 2g5iA1 LEU 118 HD13 0.07 -0.00 -0.18 -0.04 0.93 0.77 2g5iA1 LEU 118 HD23 0.03 -0.01 -0.17 -0.04 0.89 0.69 2g5iA1 ILE 119 H 0.03 0.57 0.39 -0.55 8.25 8.68 2g5iA1 ILE 119 HA 0.08 0.07 0.53 -0.75 4.18 4.11 2g5iA1 ILE 119 HB 0.04 0.09 0.13 -0.04 1.89 2.11 2g5iA1 ILE 119 HG12 -0.28 0.08 0.02 -0.04 1.49 1.27 2g5iA1 ILE 119 HG13 -0.50 -0.04 0.01 -0.04 1.21 0.64 2g5iA1 ILE 119 HG23 -0.35 -0.01 -0.19 -0.04 0.93 0.33 2g5iA1 ILE 119 HD13 -0.07 -0.06 -0.10 -0.04 0.88 0.61 2g5iA1 GLY 120 H 0.20 0.31 0.23 -0.55 8.43 8.62 2g5iA1 GLY 120 HA2 0.14 0.10 0.43 -0.51 4.01 4.16 2g5iA1 GLY 120 HA3 0.29 0.03 0.38 -0.51 4.01 4.20 2g5iA1 LYS 121 H 0.16 0.76 0.32 -0.55 8.42 9.11 2g5iA1 LYS 121 HA 0.01 0.21 0.98 -0.75 4.32 4.77 2g5iA1 LYS 121 HB2 0.04 -0.05 0.33 -0.04 1.87 2.15 2g5iA1 LYS 121 HB3 0.02 -0.06 0.07 -0.04 1.79 1.78 2g5iA1 LYS 121 HG2 0.03 -0.01 -0.08 -0.04 1.46 1.36 2g5iA1 LYS 121 HG3 0.02 0.09 0.09 -0.04 1.46 1.62 2g5iA1 LYS 121 HD2 0.00 0.03 -0.19 -0.04 1.69 1.49 2g5iA1 LYS 121 HD3 0.01 -0.01 -0.10 -0.04 1.68 1.53 2g5iA1 LYS 121 HE2 0.00 0.20 -0.07 -0.04 2.99 3.09 2g5iA1 LYS 121 HE3 0.01 -0.04 -0.05 -0.04 2.99 2.87 2g5iA1 LEU 122 H -0.11 1.20 0.38 -0.55 8.37 9.29 2g5iA1 LEU 122 HA -0.28 0.13 0.68 -0.75 4.35 4.13 2g5iA1 LEU 122 HB2 -0.16 -0.04 -0.29 -0.04 1.64 1.11 2g5iA1 LEU 122 HB3 -0.18 -0.02 -0.24 -0.04 1.64 1.16 2g5iA1 LEU 122 HG -0.36 0.11 -0.45 -0.04 1.64 0.89 2g5iA1 LEU 122 HD13 -1.20 0.00 -0.38 -0.04 0.93 -0.70 2g5iA1 LEU 122 HD23 -0.22 -0.00 -0.38 -0.04 0.89 0.25 2g5iA1 ASN 123 H -0.09 0.86 0.29 -0.55 8.53 9.04 2g5iA1 ASN 123 HA 0.02 -0.01 0.38 -0.75 4.76 4.40 2g5iA1 ASN 123 HB2 0.02 0.20 -0.09 -0.04 2.88 2.96 2g5iA1 ASN 123 HB3 -0.01 -0.03 0.05 -0.04 2.79 2.76 2g5iA1 ASN 123 HD21 0.06 0.14 0.18 -0.04 7.03 7.36 2g5iA1 ASN 123 HD22 0.03 0.16 -0.00 -0.04 7.74 7.90 2g5iA1 MET 124 H 0.02 0.38 0.25 -0.55 8.47 8.57 2g5iA1 MET 124 HA -0.01 -0.04 0.55 -0.75 4.52 4.27 2g5iA1 MET 124 HB2 -0.01 0.12 0.20 -0.04 2.15 2.42 2g5iA1 MET 124 HB3 -0.02 0.08 -0.15 -0.04 2.03 1.90 2g5iA1 MET 124 HG2 -0.01 -0.11 -0.30 -0.04 2.63 2.17 2g5iA1 MET 124 HG3 -0.03 0.13 -0.65 -0.04 2.56 1.97 2g5iA1 MET 124 HE3 -0.07 0.04 0.01 -0.04 2.10 2.04 2g5iA1 ASP 125 H -0.00 0.24 0.22 -0.55 8.40 8.32 2g5iA1 ASP 125 HA 0.01 0.01 0.53 -0.75 4.63 4.42 2g5iA1 ASP 125 HB2 0.00 -0.04 -0.30 -0.04 2.71 2.34 2g5iA1 ASP 125 HB3 0.01 0.37 -0.11 -0.04 2.70 2.93 2g5iA1 GLU 126 H -0.00 0.05 0.03 -0.55 8.60 8.13 2g5iA1 GLU 126 HA -0.10 0.32 0.49 -0.75 4.29 4.24 2g5iA1 GLU 126 HB2 -0.02 0.15 0.30 -0.04 2.09 2.48 2g5iA1 GLU 126 HB3 0.02 -0.15 0.22 -0.04 1.99 2.05 2g5iA1 GLU 126 HG2 0.25 -0.03 -0.20 -0.04 2.34 2.33 2g5iA1 GLU 126 HG3 0.01 0.08 -0.05 -0.04 2.34 2.34 2g5iA1 PHE 127 H -0.22 0.63 0.35 -0.55 8.34 8.55 2g5iA1 PHE 127 HA -0.10 0.05 0.34 -0.75 4.62 4.16 2g5iA1 PHE 127 HB2 -0.18 0.20 -0.30 -0.04 3.15 2.83 2g5iA1 PHE 127 HB3 -0.26 -0.01 0.23 -0.04 3.06 2.99 2g5iA1 PHE 127 HD2 -0.06 -0.01 -0.05 -0.04 7.28 7.13 2g5iA1 PHE 127 HE2 -0.03 -0.02 -0.07 -0.04 7.38 7.22 2g5iA1 PHE 127 HZ -1.21 0.01 -0.10 -0.04 7.32 5.97 2g5iA1 ALA 128 H -0.06 0.60 -0.05 -0.55 8.40 8.34 2g5iA1 ALA 128 HA -0.01 -0.03 0.25 -0.75 4.34 3.79 2g5iA1 ALA 128 HB3 0.04 0.05 0.08 -0.04 1.41 1.54 2g5iA1 MET 129 H -0.16 0.27 -0.68 -0.55 8.47 7.36 2g5iA1 MET 129 HA -0.06 0.09 0.68 -0.75 4.52 4.48 2g5iA1 MET 129 HB2 -0.14 0.13 0.00 -0.04 2.15 2.10 2g5iA1 MET 129 HB3 -0.05 -0.05 -0.15 -0.04 2.03 1.74 2g5iA1 MET 129 HG2 -0.58 -0.03 -0.15 -0.04 2.63 1.83 2g5iA1 MET 129 HG3 -0.98 0.16 -0.24 -0.04 2.56 1.46 2g5iA1 MET 129 HE3 -0.37 0.04 0.02 -0.04 2.10 1.74 2g5iA1 GLY 130 H 0.15 0.24 0.08 -0.55 8.43 8.35 2g5iA1 GLY 130 HA2 0.10 0.09 0.25 -0.51 4.01 3.94 2g5iA1 GLY 130 HA3 0.06 0.09 0.77 -0.51 4.01 4.42 2g5iA1 GLY 131 H 0.09 0.21 -0.03 -0.55 8.43 8.15 2g5iA1 GLY 131 HA2 0.03 0.09 0.73 -0.51 4.01 4.35 2g5iA1 GLY 131 HA3 0.09 0.18 0.23 -0.51 4.01 4.00 2g5iA1 SER 132 H 0.05 -0.40 -0.08 -0.55 8.46 7.49 2g5iA1 SER 132 HA -0.03 0.12 0.31 -0.75 4.49 4.13 2g5iA1 SER 132 HB2 0.11 0.08 0.10 -0.04 3.95 4.20 2g5iA1 SER 132 HB3 0.33 0.21 -0.08 -0.04 3.93 4.35 2g5iA1 THR 133 H 0.03 -0.31 0.06 -0.55 8.28 7.51 2g5iA1 THR 133 HA 0.02 -0.11 0.24 -0.75 4.39 3.79 2g5iA1 THR 133 HB 0.01 0.44 0.13 -0.04 4.32 4.86 2g5iA1 THR 133 HG23 0.01 -0.03 -0.09 -0.04 1.22 1.07 2g5iA1 GLU 134 H 0.05 -0.03 -0.93 -0.55 8.60 7.15 2g5iA1 GLU 134 HA 0.04 0.20 0.29 -0.75 4.29 4.07 2g5iA1 GLU 134 HB2 0.06 -0.12 -0.03 -0.04 2.09 1.96 2g5iA1 GLU 134 HB3 0.05 0.07 0.01 -0.04 1.99 2.08 2g5iA1 GLU 134 HG2 0.06 0.17 0.03 -0.04 2.34 2.56 2g5iA1 GLU 134 HG3 0.09 -0.01 -0.04 -0.04 2.34 2.33 2g5iA1 THR 135 H 0.03 -0.15 -0.50 -0.55 8.28 7.12 2g5iA1 THR 135 HA 0.03 0.17 0.45 -0.75 4.39 4.28 2g5iA1 THR 135 HB 0.02 -0.00 0.14 -0.04 4.32 4.45 2g5iA1 THR 135 HG23 0.03 -0.01 0.03 -0.04 1.22 1.23 2g5iA1 SER 136 H 0.02 0.45 -0.10 -0.55 8.46 8.28 2g5iA1 SER 136 HA -0.01 -0.01 0.59 -0.75 4.49 4.31 2g5iA1 SER 136 HB2 0.03 0.17 0.31 -0.04 3.95 4.42 2g5iA1 SER 136 HB3 0.03 0.28 0.27 -0.04 3.93 4.48 2g5iA1 TYR 137 H -0.02 0.27 0.38 -0.55 8.29 8.36 2g5iA1 TYR 137 HA -0.13 0.10 0.38 -0.75 4.56 4.16 2g5iA1 TYR 137 HB2 -0.21 -0.01 0.28 -0.04 3.06 3.08 2g5iA1 TYR 137 HB3 -0.52 -0.07 -0.00 -0.04 2.98 2.34 2g5iA1 TYR 137 HD2 -0.48 -0.03 -0.06 -0.04 7.15 6.55 2g5iA1 TYR 137 HE2 -0.07 0.02 0.04 -0.04 6.85 6.80 2g5iA1 PHE 138 H -0.04 -0.11 -0.93 -0.55 8.34 6.71 2g5iA1 PHE 138 HA -0.23 0.24 1.04 -0.75 4.62 4.91 2g5iA1 PHE 138 HB2 -0.02 -0.07 0.02 -0.04 3.15 3.03 2g5iA1 PHE 138 HB3 -0.04 0.08 -0.08 -0.04 3.06 2.97 2g5iA1 PHE 138 HD2 -0.07 0.04 -0.06 -0.04 7.28 7.15 2g5iA1 PHE 138 HE2 0.05 -0.05 -0.10 -0.04 7.38 7.24 2g5iA1 PHE 138 HZ 0.11 -0.02 -0.11 -0.04 7.32 7.26 2g5iA1 LYS 139 H 0.10 0.18 0.13 -0.55 8.42 8.27 2g5iA1 LYS 139 HA 0.02 0.08 0.46 -0.75 4.32 4.12 2g5iA1 LYS 139 HB2 0.03 0.07 0.02 -0.04 1.87 1.94 2g5iA1 LYS 139 HB3 0.04 0.15 -0.12 -0.04 1.79 1.82 2g5iA1 LYS 139 HG2 0.09 -0.22 -0.07 -0.04 1.46 1.21 2g5iA1 LYS 139 HG3 0.04 0.18 -0.21 -0.04 1.46 1.44 2g5iA1 LYS 139 HD2 0.03 0.02 -0.18 -0.04 1.69 1.52 2g5iA1 LYS 139 HD3 0.05 -0.14 -0.09 -0.04 1.68 1.46 2g5iA1 LYS 139 HE2 0.04 0.09 -0.11 -0.04 2.99 2.97 2g5iA1 LYS 139 HE3 0.02 -0.01 -0.06 -0.04 2.99 2.91 2g5iA1 LYS 140 H 0.02 0.18 0.09 -0.55 8.42 8.16 2g5iA1 LYS 140 HA 0.03 0.07 0.83 -0.75 4.32 4.48 2g5iA1 LYS 140 HB2 0.02 0.02 0.11 -0.04 1.87 1.99 2g5iA1 LYS 140 HB3 0.03 0.02 -0.05 -0.04 1.79 1.75 2g5iA1 LYS 140 HG2 0.03 0.04 -0.03 -0.04 1.46 1.46 2g5iA1 LYS 140 HG3 0.02 -0.02 -0.10 -0.04 1.46 1.32 2g5iA1 LYS 140 HD2 0.02 0.02 -0.01 -0.04 1.69 1.67 2g5iA1 LYS 140 HD3 0.03 -0.07 -0.01 -0.04 1.68 1.59 2g5iA1 LYS 140 HE2 0.02 -0.08 -0.02 -0.04 2.99 2.87 2g5iA1 LYS 140 HE3 0.03 0.06 0.04 -0.04 2.99 3.07 2g5iA1 THR 141 H 0.02 0.01 0.09 -0.55 8.28 7.85 2g5iA1 THR 141 HA 0.01 0.38 0.63 -0.75 4.39 4.66 2g5iA1 THR 141 HB 0.01 -0.21 -0.04 -0.04 4.32 4.03 2g5iA1 THR 141 HG23 0.00 0.02 -0.34 -0.04 1.22 0.87 2g5iA1 VAL 142 H 0.01 0.52 0.21 -0.55 8.24 8.42 2g5iA1 VAL 142 HA 0.03 0.13 0.77 -0.75 4.13 4.30 2g5iA1 VAL 142 HB 0.08 -0.02 0.02 -0.04 2.12 2.16 2g5iA1 VAL 142 HG13 0.02 0.02 -0.09 -0.04 0.97 0.88 2g5iA1 VAL 142 HG23 0.00 0.00 -0.18 -0.04 0.95 0.73 2g5iA1 ASN 143 H 0.08 0.52 0.03 -0.55 8.53 8.61 2g5iA1 ASN 143 HA 0.10 0.12 0.56 -0.75 4.76 4.79 2g5iA1 ASN 143 HB2 0.06 0.20 -0.41 -0.04 2.88 2.69 2g5iA1 ASN 143 HB3 0.09 -0.02 -0.03 -0.04 2.79 2.79 2g5iA1 ASN 143 HD21 0.13 0.49 0.13 -0.04 7.03 7.74 2g5iA1 ASN 143 HD22 0.05 0.05 -0.03 -0.04 7.74 7.76 2g5iA1 PRO 144 HA 0.17 0.04 0.30 -0.51 4.44 4.44 2g5iA1 PRO 144 HB2 -0.11 0.09 -0.06 -0.04 2.28 2.16 2g5iA1 PRO 144 HB3 -0.03 0.15 -0.09 -0.04 2.02 2.00 2g5iA1 PRO 144 HG2 0.03 0.08 0.02 -0.04 2.03 2.11 2g5iA1 PRO 144 HG3 0.04 -0.01 -0.03 -0.04 2.03 1.98 2g5iA1 PRO 144 HD2 0.14 0.09 0.15 -0.04 3.68 4.02 2g5iA1 PRO 144 HD3 0.08 0.27 0.25 -0.04 3.65 4.20 2g5iA1 PHE 145 H 0.28 0.09 -0.35 -0.55 8.34 7.81 2g5iA1 PHE 145 HA 0.01 0.11 0.47 -0.75 4.62 4.46 2g5iA1 PHE 145 HB2 0.02 -0.03 0.01 -0.04 3.15 3.11 2g5iA1 PHE 145 HB3 0.00 0.10 0.09 -0.04 3.06 3.21 2g5iA1 PHE 145 HD2 0.05 -0.03 0.03 -0.04 7.28 7.28 2g5iA1 PHE 145 HE2 0.11 0.17 -0.07 -0.04 7.38 7.55 2g5iA1 PHE 145 HZ 0.17 -0.03 0.00 -0.04 7.32 7.41 2g5iA1 ASP 146 H 0.10 0.58 -0.60 -0.55 8.40 7.94 2g5iA1 ASP 146 HA -0.09 0.05 0.40 -0.75 4.63 4.23 2g5iA1 ASP 146 HB2 0.04 0.33 -0.13 -0.04 2.71 2.91 2g5iA1 ASP 146 HB3 0.03 -0.07 0.04 -0.04 2.70 2.66 2g5iA1 HIS 147 H -0.33 0.22 0.05 -0.55 8.41 7.81 2g5iA1 HIS 147 HA 0.02 0.08 0.27 -0.75 4.63 4.25 2g5iA1 HIS 147 HB2 0.02 -0.05 0.00 -0.04 3.26 3.19 2g5iA1 HIS 147 HB3 0.02 0.05 0.10 -0.04 3.20 3.33 2g5iA1 HIS 147 HD2 0.02 0.13 -0.19 -0.04 6.97 6.88 2g5iA1 HIS 147 HE1 0.01 -0.00 -0.00 -0.04 7.75 7.71 2g5iA1 LYS 148 H 0.05 -0.01 -1.11 -0.55 8.42 6.80 2g5iA1 LYS 148 HA 0.06 0.15 0.76 -0.75 4.32 4.53 2g5iA1 LYS 148 HB2 0.02 0.02 -0.00 -0.04 1.87 1.88 2g5iA1 LYS 148 HB3 0.03 -0.07 0.04 -0.04 1.79 1.75 2g5iA1 LYS 148 HG2 0.04 -0.01 -0.15 -0.04 1.46 1.30 2g5iA1 LYS 148 HG3 0.02 0.00 -0.03 -0.04 1.46 1.41 2g5iA1 LYS 148 HD2 0.03 -0.04 0.04 -0.04 1.69 1.68 2g5iA1 LYS 148 HD3 0.04 0.05 -0.01 -0.04 1.68 1.73 2g5iA1 LYS 148 HE2 0.02 -0.03 -0.01 -0.04 2.99 2.94 2g5iA1 LYS 148 HE3 0.03 -0.00 -0.01 -0.04 2.99 2.96 2g5iA1 ALA 149 H 0.04 0.85 0.23 -0.55 8.40 8.98 2g5iA1 ALA 149 HA 0.01 -0.14 1.10 -0.75 4.34 4.56 2g5iA1 ALA 149 HB3 -0.04 0.05 -0.12 -0.04 1.41 1.27 2g5iA1 VAL 150 H -0.12 0.40 0.27 -0.55 8.24 8.25 2g5iA1 VAL 150 HA -0.03 0.21 0.41 -0.75 4.13 3.97 2g5iA1 VAL 150 HB -0.13 0.00 0.21 -0.04 2.12 2.16 2g5iA1 VAL 150 HG13 0.05 -0.02 -0.13 -0.04 0.97 0.83 2g5iA1 VAL 150 HG23 -0.89 0.08 -0.00 -0.04 0.95 0.10 2g5iA1 PRO 151 HA 0.07 0.19 0.44 -0.51 4.44 4.64 2g5iA1 PRO 151 HB2 0.02 -0.04 -0.09 -0.04 2.28 2.13 2g5iA1 PRO 151 HB3 0.04 0.22 -0.41 -0.04 2.02 1.83 2g5iA1 PRO 151 HG2 -0.01 -0.11 -0.29 -0.04 2.03 1.59 2g5iA1 PRO 151 HG3 0.01 0.03 -0.34 -0.04 2.03 1.69 2g5iA1 PRO 151 HD2 -0.01 0.15 0.23 -0.04 3.68 4.01 2g5iA1 PRO 151 HD3 0.01 0.34 0.02 -0.04 3.65 3.98 2g5iA1 GLY 152 H -0.05 0.03 -0.33 -0.55 8.43 7.54 2g5iA1 GLY 152 HA2 -0.32 0.13 0.08 -0.51 4.01 3.40 2g5iA1 GLY 152 HA3 -0.27 0.18 0.46 -0.51 4.01 3.87 2g5iA1 GLY 153 H -0.19 0.38 -0.12 -0.55 8.43 7.95 2g5iA1 GLY 153 HA2 -0.03 -0.10 0.34 -0.51 4.01 3.71 2g5iA1 GLY 153 HA3 -0.01 -0.21 0.14 -0.51 4.01 3.42 2g5iA1 SER 154 H 0.02 0.04 0.26 -0.55 8.46 8.24 2g5iA1 SER 154 HA 0.01 -0.13 0.36 -0.75 4.49 3.97 2g5iA1 SER 154 HB2 0.02 -0.14 0.09 -0.04 3.95 3.87 2g5iA1 SER 154 HB3 0.05 0.20 -0.11 -0.04 3.93 4.03 2g5iA1 SER 155 H -0.02 0.45 -0.03 -0.55 8.46 8.32 2g5iA1 SER 155 HA -0.02 0.16 0.84 -0.75 4.49 4.72 2g5iA1 SER 155 HB2 -0.02 0.09 0.13 -0.04 3.95 4.10 2g5iA1 SER 155 HB3 -0.02 -0.03 0.21 -0.04 3.93 4.05 2g5iA1 GLY 156 H -0.02 -0.02 -0.80 -0.55 8.43 7.05 2g5iA1 GLY 156 HA2 -0.03 0.19 -0.10 -0.51 4.01 3.56 2g5iA1 GLY 156 HA3 -0.02 0.12 -0.09 -0.51 4.01 3.52 2g5iA1 GLY 157 H -0.03 0.18 -0.41 -0.55 8.43 7.62 2g5iA1 GLY 157 HA2 -0.06 0.06 0.40 -0.51 4.01 3.91 2g5iA1 GLY 157 HA3 -0.08 0.11 0.31 -0.51 4.01 3.83 2g5iA1 SER 158 H -0.07 0.14 -0.33 -0.55 8.46 7.65 2g5iA1 SER 158 HA -0.13 -0.02 0.17 -0.75 4.49 3.76 2g5iA1 SER 158 HB2 -0.04 0.18 0.06 -0.04 3.95 4.11 2g5iA1 SER 158 HB3 -0.05 -0.03 -0.22 -0.04 3.93 3.59 2g5iA1 ALA 159 H -0.04 0.31 -0.43 -0.55 8.40 7.70 2g5iA1 ALA 159 HA -0.03 0.13 0.56 -0.75 4.34 4.25 2g5iA1 ALA 159 HB3 0.00 0.02 -0.27 -0.04 1.41 1.12 2g5iA1 ALA 160 H -0.02 0.56 -0.05 -0.55 8.40 8.33 2g5iA1 ALA 160 HA 0.02 0.08 0.38 -0.75 4.34 4.07 2g5iA1 ALA 160 HB3 -0.00 0.01 0.05 -0.04 1.41 1.42 2g5iA1 ALA 161 H -0.09 0.59 -0.04 -0.55 8.40 8.32 2g5iA1 ALA 161 HA -0.00 0.00 0.22 -0.75 4.34 3.81 2g5iA1 ALA 161 HB3 -0.22 -0.01 -0.13 -0.04 1.41 1.01 2g5iA1 VAL 162 H -0.07 0.19 -0.74 -0.55 8.24 7.07 2g5iA1 VAL 162 HA -0.07 0.08 0.47 -0.75 4.13 3.85 2g5iA1 VAL 162 HB -0.06 0.13 -0.06 -0.04 2.12 2.08 2g5iA1 VAL 162 HG13 -0.09 -0.00 -0.32 -0.04 0.97 0.51 2g5iA1 VAL 162 HG23 -0.06 0.01 -0.21 -0.04 0.95 0.64 2g5iA1 ALA 163 H -0.06 0.53 -0.04 -0.55 8.40 8.28 2g5iA1 ALA 163 HA -0.36 0.04 0.52 -0.75 4.34 3.79 2g5iA1 ALA 163 HB3 0.05 -0.01 0.10 -0.04 1.41 1.51 2g5iA1 ALA 164 H -0.04 0.46 -0.26 -0.55 8.40 8.02 2g5iA1 ALA 164 HA 0.02 0.16 0.51 -0.75 4.34 4.27 2g5iA1 ALA 164 HB3 0.01 -0.05 -0.07 -0.04 1.41 1.25 2g5iA1 GLY 165 H -0.06 0.14 -0.58 -0.55 8.43 7.38 2g5iA1 GLY 165 HA2 -0.12 0.05 0.35 -0.51 4.01 3.78 2g5iA1 GLY 165 HA3 -0.33 0.10 0.51 -0.51 4.01 3.78 2g5iA1 LEU 166 H -0.05 0.34 0.22 -0.55 8.37 8.34 2g5iA1 LEU 166 HA -0.08 0.18 0.83 -0.75 4.35 4.53 2g5iA1 LEU 166 HB2 0.15 0.01 -0.03 -0.04 1.64 1.73 2g5iA1 LEU 166 HB3 0.23 -0.15 0.00 -0.04 1.64 1.69 2g5iA1 LEU 166 HG 0.02 0.09 -0.36 -0.04 1.64 1.35 2g5iA1 LEU 166 HD13 0.18 -0.07 -0.10 -0.04 0.93 0.90 2g5iA1 LEU 166 HD23 -0.04 0.06 -0.27 -0.04 0.89 0.60 2g5iA1 VAL 167 H -0.04 0.32 0.15 -0.55 8.24 8.11 2g5iA1 VAL 167 HA -0.04 0.10 0.37 -0.75 4.13 3.81 2g5iA1 VAL 167 HB -0.01 0.04 -0.05 -0.04 2.12 2.06 2g5iA1 VAL 167 HG13 0.13 -0.02 -0.28 -0.04 0.97 0.76 2g5iA1 VAL 167 HG23 -0.03 -0.04 -0.33 -0.04 0.95 0.51 2g5iA1 PRO 168 HA -0.01 0.19 0.65 -0.51 4.44 4.75 2g5iA1 PRO 168 HB2 0.00 -0.22 0.06 -0.04 2.28 2.09 2g5iA1 PRO 168 HB3 -0.00 0.17 -0.00 -0.04 2.02 2.15 2g5iA1 PRO 168 HG2 -0.01 0.10 0.04 -0.04 2.03 2.11 2g5iA1 PRO 168 HG3 -0.01 0.02 0.05 -0.04 2.03 2.05 2g5iA1 PRO 168 HD2 -0.03 0.15 0.09 -0.04 3.68 3.85 2g5iA1 PRO 168 HD3 -0.04 0.11 0.09 -0.04 3.65 3.78 2g5iA1 LEU 169 H -0.02 0.24 -0.05 -0.55 8.37 8.00 2g5iA1 LEU 169 HA -0.01 0.27 0.72 -0.75 4.35 4.57 2g5iA1 LEU 169 HB2 -0.01 -0.03 0.12 -0.04 1.64 1.68 2g5iA1 LEU 169 HB3 -0.00 -0.01 -0.15 -0.04 1.64 1.43 2g5iA1 LEU 169 HG -0.01 0.13 -0.05 -0.04 1.64 1.66 2g5iA1 LEU 169 HD13 -0.03 -0.05 -0.27 -0.04 0.93 0.55 2g5iA1 LEU 169 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 2g5iA1 SER 170 H -0.02 0.37 0.38 -0.55 8.46 8.64 2g5iA1 SER 170 HA -0.05 0.09 0.74 -0.75 4.49 4.52 2g5iA1 SER 170 HB2 -0.09 -0.03 0.14 -0.04 3.95 3.93 2g5iA1 SER 170 HB3 -0.09 0.00 -0.13 -0.04 3.93 3.68 2g5iA1 LEU 171 H -0.05 0.40 0.43 -0.55 8.37 8.61 2g5iA1 LEU 171 HA -0.02 0.32 1.19 -0.75 4.35 5.09 2g5iA1 LEU 171 HB2 -0.03 -0.08 0.14 -0.04 1.64 1.63 2g5iA1 LEU 171 HB3 -0.01 -0.01 -0.01 -0.04 1.64 1.57 2g5iA1 LEU 171 HG -0.00 0.06 -0.15 -0.04 1.64 1.50 2g5iA1 LEU 171 HD13 -0.02 0.07 -0.39 -0.04 0.93 0.56 2g5iA1 LEU 171 HD23 -0.01 -0.01 -0.14 -0.04 0.89 0.69 2g5iA1 GLY 172 H -0.01 0.85 0.43 -0.55 8.43 9.15 2g5iA1 GLY 172 HA2 -0.01 0.05 0.84 -0.51 4.01 4.37 2g5iA1 GLY 172 HA3 -0.01 0.06 0.32 -0.51 4.01 3.86 2g5iA1 SER 173 H 0.02 0.18 0.14 -0.55 8.46 8.26 2g5iA1 SER 173 HA 0.03 0.32 0.88 -0.75 4.49 4.97 2g5iA1 SER 173 HB2 0.07 0.01 -0.06 -0.04 3.95 3.93 2g5iA1 SER 173 HB3 0.05 -0.01 -0.13 -0.04 3.93 3.80 2g5iA1 ASP 174 H 0.04 0.70 0.20 -0.55 8.40 8.80 2g5iA1 ASP 174 HA 0.04 -0.15 0.87 -0.75 4.63 4.64 2g5iA1 ASP 174 HB2 0.00 0.05 -0.24 -0.04 2.71 2.48 2g5iA1 ASP 174 HB3 0.01 0.29 0.01 -0.04 2.70 2.96 2g5iA1 THR 175 H 0.08 -0.35 0.24 -0.55 8.28 7.70 2g5iA1 THR 175 HA 0.05 0.43 0.77 -0.75 4.39 4.90 2g5iA1 THR 175 HB 0.24 -0.03 0.05 -0.04 4.32 4.54 2g5iA1 THR 175 HG23 -0.33 0.02 -0.10 -0.04 1.22 0.77 2g5iA1 GLY 176 H 0.02 -0.35 0.28 -0.55 8.43 7.84 2g5iA1 GLY 176 HA2 -0.29 0.34 0.79 -0.51 4.01 4.34 2g5iA1 GLY 176 HA3 -0.66 0.06 0.30 -0.51 4.01 3.20 2g5iA1 GLY 177 H -0.03 -0.48 0.24 -0.55 8.43 7.61 2g5iA1 GLY 177 HA2 -0.06 0.15 0.27 -0.51 4.01 3.85 2g5iA1 GLY 177 HA3 -0.09 0.30 0.78 -0.51 4.01 4.49 2g5iA1 SER 178 H 0.01 -0.49 0.34 -0.55 8.46 7.77 2g5iA1 SER 178 HA -0.01 0.32 0.69 -0.75 4.49 4.73 2g5iA1 SER 178 HB2 0.07 0.24 0.33 -0.04 3.95 4.55 2g5iA1 SER 178 HB3 0.06 -0.06 0.35 -0.04 3.93 4.24 2g5iA1 ILE 179 H -0.02 -0.15 -0.74 -0.55 8.25 6.79 2g5iA1 ILE 179 HA -0.02 0.20 0.88 -0.75 4.18 4.48 2g5iA1 ILE 179 HB -0.01 -0.04 -0.28 -0.04 1.89 1.52 2g5iA1 ILE 179 HG12 -0.00 -0.05 -0.43 -0.04 1.49 0.96 2g5iA1 ILE 179 HG13 0.01 -0.11 -1.24 -0.04 1.21 -0.17 2g5iA1 ILE 179 HG23 -0.01 0.06 -0.41 -0.04 0.93 0.52 2g5iA1 ILE 179 HD13 0.00 0.09 -0.28 -0.04 0.88 0.64 2g5iA1 ARG 180 H -0.04 -0.10 -0.05 -0.55 8.46 7.71 2g5iA1 ARG 180 HA -0.03 0.17 0.45 -0.75 4.34 4.17 2g5iA1 ARG 180 HB2 -0.06 -0.09 0.08 -0.04 1.90 1.79 2g5iA1 ARG 180 HB3 -0.06 0.10 -0.17 -0.04 1.80 1.63 2g5iA1 ARG 180 HG2 -0.04 0.13 -0.30 -0.04 1.67 1.42 2g5iA1 ARG 180 HG3 -0.04 -0.12 -0.27 -0.04 1.67 1.20 2g5iA1 ARG 180 HD2 -0.06 0.10 -0.17 -0.04 3.22 3.05 2g5iA1 ARG 180 HD3 -0.04 0.05 -0.23 -0.04 3.22 2.95 2g5iA1 GLN 181 H -0.09 0.33 0.14 -0.55 8.47 8.31 2g5iA1 GLN 181 HA -0.16 0.08 0.23 -0.75 4.36 3.76 2g5iA1 GLN 181 HB2 -0.14 -0.04 0.09 -0.04 2.15 2.02 2g5iA1 GLN 181 HB3 -0.17 0.10 -0.04 -0.04 2.02 1.87 2g5iA1 GLN 181 HG2 -0.38 0.05 0.01 -0.04 2.40 2.04 2g5iA1 GLN 181 HG3 -0.18 -0.02 -0.09 -0.04 2.39 2.06 2g5iA1 GLN 181 HE21 -0.58 -0.03 -0.05 -0.04 6.97 6.27 2g5iA1 GLN 181 HE22 -0.40 0.05 -0.03 -0.04 7.69 7.27 2g5iA1 PRO 182 HA -0.16 0.16 0.48 -0.51 4.44 4.42 2g5iA1 PRO 182 HB2 -0.04 0.12 -0.29 -0.04 2.28 2.03 2g5iA1 PRO 182 HB3 -0.06 0.14 -0.32 -0.04 2.02 1.74 2g5iA1 PRO 182 HG2 -0.05 0.03 -0.49 -0.04 2.03 1.47 2g5iA1 PRO 182 HG3 -0.11 -0.19 -0.43 -0.04 2.03 1.25 2g5iA1 PRO 182 HD2 -0.07 0.02 -1.18 -0.04 3.68 2.41 2g5iA1 PRO 182 HD3 -0.11 0.21 -0.29 -0.04 3.65 3.42 2g5iA1 ALA 183 H -0.03 0.36 -0.27 -0.55 8.40 7.91 2g5iA1 ALA 183 HA 0.03 -0.02 0.11 -0.75 4.34 3.70 2g5iA1 ALA 183 HB3 0.01 0.05 -0.03 -0.04 1.41 1.40 2g5iA1 ALA 184 H -0.01 0.35 -0.97 -0.55 8.40 7.22 2g5iA1 ALA 184 HA 0.03 0.07 0.34 -0.75 4.34 4.02 2g5iA1 ALA 184 HB3 0.04 -0.01 -0.11 -0.04 1.41 1.28 2g5iA1 TYR 185 H 0.18 0.41 -0.02 -0.55 8.29 8.32 2g5iA1 TYR 185 HA -0.06 -0.05 0.30 -0.75 4.56 4.00 2g5iA1 TYR 185 HB2 -0.06 0.11 -0.05 -0.04 3.06 3.03 2g5iA1 TYR 185 HB3 -0.08 0.04 -0.13 -0.04 2.98 2.77 2g5iA1 TYR 185 HD2 -0.17 -0.02 -0.12 -0.04 7.15 6.80 2g5iA1 TYR 185 HE2 -0.32 -0.01 -0.06 -0.04 6.85 6.42 2g5iA1 CYS 186 H 0.12 0.38 -0.78 -0.55 8.50 7.67 2g5iA1 CYS 186 HA 0.23 0.18 0.90 -0.75 4.58 5.14 2g5iA1 CYS 186 HB2 0.10 -0.01 -0.22 -0.04 2.97 2.80 2g5iA1 CYS 186 HB3 0.18 0.02 -0.01 -0.04 2.97 3.12 2g5iA1 GLY 187 H 0.05 0.61 -0.23 -0.55 8.43 8.31 2g5iA1 GLY 187 HA2 0.06 -0.02 0.34 -0.51 4.01 3.88 2g5iA1 GLY 187 HA3 0.07 -0.04 0.38 -0.51 4.01 3.90 2g5iA1 VAL 188 H 0.12 0.41 -0.14 -0.55 8.24 8.08 2g5iA1 VAL 188 HA 0.18 0.16 0.88 -0.75 4.13 4.60 2g5iA1 VAL 188 HB 0.05 -0.12 -0.13 -0.04 2.12 1.89 2g5iA1 VAL 188 HG13 0.01 0.03 -0.17 -0.04 0.97 0.79 2g5iA1 VAL 188 HG23 -0.05 0.08 -0.21 -0.04 0.95 0.72 2g5iA1 VAL 189 H 0.10 0.56 0.27 -0.55 8.24 8.62 2g5iA1 VAL 189 HA 0.09 0.35 0.84 -0.75 4.13 4.65 2g5iA1 VAL 189 HB 0.12 -0.09 0.01 -0.04 2.12 2.13 2g5iA1 VAL 189 HG13 0.15 0.01 -0.19 -0.04 0.97 0.90 2g5iA1 VAL 189 HG23 0.16 -0.04 -0.13 -0.04 0.95 0.90 2g5iA1 GLY 190 H 0.04 0.45 0.30 -0.55 8.43 8.68 2g5iA1 GLY 190 HA2 0.03 0.28 1.05 -0.51 4.01 4.86 2g5iA1 GLY 190 HA3 0.01 0.01 0.21 -0.51 4.01 3.74 2g5iA1 MET 191 H 0.02 0.55 0.18 -0.55 8.47 8.67 2g5iA1 MET 191 HA -0.04 0.20 1.10 -0.75 4.52 5.03 2g5iA1 MET 191 HB2 -0.07 -0.02 -0.09 -0.04 2.15 1.93 2g5iA1 MET 191 HB3 0.05 0.04 0.04 -0.04 2.03 2.12 2g5iA1 MET 191 HG2 -0.04 -0.05 -0.15 -0.04 2.63 2.34 2g5iA1 MET 191 HG3 -0.06 0.00 -0.55 -0.04 2.56 1.91 2g5iA1 MET 191 HE3 -0.66 -0.02 -0.14 -0.04 2.10 1.23 2g5iA1 LYS 192 H -0.06 0.95 0.25 -0.55 8.42 9.01 2g5iA1 LYS 192 HA -0.03 0.17 0.79 -0.75 4.32 4.50 2g5iA1 LYS 192 HB2 -0.03 -0.20 -0.11 -0.04 1.87 1.49 2g5iA1 LYS 192 HB3 -0.04 -0.05 0.18 -0.04 1.79 1.84 2g5iA1 LYS 192 HG2 -0.01 0.27 -0.23 -0.04 1.46 1.44 2g5iA1 LYS 192 HG3 -0.00 -0.09 -0.08 -0.04 1.46 1.24 2g5iA1 LYS 192 HD2 0.01 0.09 -0.18 -0.04 1.69 1.56 2g5iA1 LYS 192 HD3 -0.02 -0.22 -0.16 -0.04 1.68 1.24 2g5iA1 LYS 192 HE2 -0.02 -0.09 -0.23 -0.04 2.99 2.61 2g5iA1 LYS 192 HE3 -0.04 -0.12 -0.04 -0.04 2.99 2.75 2g5iA1 PRO 193 HA -0.11 -0.03 0.38 -0.51 4.44 4.17 2g5iA1 PRO 193 HB2 -0.05 0.02 -0.02 -0.04 2.28 2.19 2g5iA1 PRO 193 HB3 -0.10 -0.01 0.03 -0.04 2.02 1.90 2g5iA1 PRO 193 HG2 -0.04 -0.04 -0.10 -0.04 2.03 1.82 2g5iA1 PRO 193 HG3 -0.03 0.13 0.05 -0.04 2.03 2.14 2g5iA1 PRO 193 HD2 -0.03 0.07 -0.05 -0.04 3.68 3.63 2g5iA1 PRO 193 HD3 -0.04 0.13 0.02 -0.04 3.65 3.73 2g5iA1 THR 194 H -0.13 -0.01 0.10 -0.55 8.28 7.69 2g5iA1 THR 194 HA -0.16 0.18 0.15 -0.75 4.39 3.81 2g5iA1 THR 194 HB -0.53 -0.04 0.09 -0.04 4.32 3.79 2g5iA1 THR 194 HG23 -0.82 0.13 -0.00 -0.04 1.22 0.49 2g5iA1 TYR 195 H 0.02 0.42 0.11 -0.55 8.29 8.29 2g5iA1 TYR 195 HA -0.03 -0.04 0.44 -0.75 4.56 4.18 2g5iA1 TYR 195 HB2 -0.04 0.09 0.19 -0.04 3.06 3.26 2g5iA1 TYR 195 HB3 -0.05 0.04 0.27 -0.04 2.98 3.20 2g5iA1 TYR 195 HD2 0.01 0.11 -0.15 -0.04 7.15 7.09 2g5iA1 TYR 195 HE2 0.04 -0.00 -0.13 -0.04 6.85 6.71 2g5iA1 GLY 196 H -0.33 0.07 0.25 -0.55 8.43 7.87 2g5iA1 GLY 196 HA2 -0.14 0.01 0.33 -0.51 4.01 3.70 2g5iA1 GLY 196 HA3 0.12 0.26 0.88 -0.51 4.01 4.76 2g5iA1 ARG 197 H -0.03 0.51 0.14 -0.55 8.46 8.52 2g5iA1 ARG 197 HA 0.23 0.10 0.66 -0.75 4.34 4.58 2g5iA1 ARG 197 HB2 0.05 -0.04 0.06 -0.04 1.90 1.93 2g5iA1 ARG 197 HB3 -0.00 0.08 0.01 -0.04 1.80 1.84 2g5iA1 ARG 197 HG2 0.05 -0.11 0.00 -0.04 1.67 1.57 2g5iA1 ARG 197 HG3 0.10 0.03 -0.16 -0.04 1.67 1.59 2g5iA1 ARG 197 HD2 0.39 -0.00 0.07 -0.04 3.22 3.64 2g5iA1 ARG 197 HD3 0.30 0.04 0.17 -0.04 3.22 3.70 2g5iA1 VAL 198 H -0.03 0.09 0.01 -0.55 8.24 7.77 2g5iA1 VAL 198 HA 0.05 0.32 0.94 -0.75 4.13 4.68 2g5iA1 VAL 198 HB -0.01 -0.10 0.11 -0.04 2.12 2.09 2g5iA1 VAL 198 HG13 0.03 0.09 -0.11 -0.04 0.97 0.94 2g5iA1 VAL 198 HG23 0.02 0.03 -0.24 -0.04 0.95 0.72 2g5iA1 SER 199 H 0.05 0.34 0.07 -0.55 8.46 8.37 2g5iA1 SER 199 HA 0.04 -0.01 0.32 -0.75 4.49 4.08 2g5iA1 SER 199 HB2 0.07 0.12 0.11 -0.04 3.95 4.21 2g5iA1 SER 199 HB3 0.09 0.04 0.09 -0.04 3.93 4.10 2g5iA1 ARG 200 H 0.07 0.06 0.20 -0.55 8.46 8.23 2g5iA1 ARG 200 HA 0.04 0.18 0.74 -0.75 4.34 4.55 2g5iA1 ARG 200 HB2 0.05 -0.03 0.07 -0.04 1.90 1.94 2g5iA1 ARG 200 HB3 0.05 -0.01 0.06 -0.04 1.80 1.86 2g5iA1 ARG 200 HG2 -0.03 -0.03 -0.13 -0.04 1.67 1.44 2g5iA1 ARG 200 HG3 -0.11 0.05 -0.09 -0.04 1.67 1.48 2g5iA1 ARG 200 HD2 0.05 -0.11 -0.13 -0.04 3.22 2.99 2g5iA1 ARG 200 HD3 -0.17 0.24 -0.15 -0.04 3.22 3.10 2g5iA1 PHE 201 H 0.23 -0.03 0.01 -0.55 8.34 8.00 2g5iA1 PHE 201 HA 0.10 0.10 0.41 -0.75 4.62 4.48 2g5iA1 PHE 201 HB2 0.06 0.08 -0.06 -0.04 3.15 3.19 2g5iA1 PHE 201 HB3 0.08 -0.09 0.09 -0.04 3.06 3.09 2g5iA1 PHE 201 HD2 0.11 -0.01 -0.03 -0.04 7.28 7.30 2g5iA1 PHE 201 HE2 0.19 0.09 -0.01 -0.04 7.38 7.61 2g5iA1 PHE 201 HZ -0.04 0.02 -0.03 -0.04 7.32 7.23 2g5iA1 GLY 202 H -0.31 0.23 0.19 -0.55 8.43 7.99 2g5iA1 GLY 202 HA2 -0.11 0.02 0.26 -0.51 4.01 3.67 2g5iA1 GLY 202 HA3 -0.04 0.03 0.81 -0.51 4.01 4.30 2g5iA1 LEU 203 H 0.01 0.76 -0.08 -0.55 8.37 8.52 2g5iA1 LEU 203 HA 0.04 0.09 0.78 -0.75 4.35 4.50 2g5iA1 LEU 203 HB2 0.04 -0.02 -0.02 -0.04 1.64 1.60 2g5iA1 LEU 203 HB3 0.05 0.15 0.19 -0.04 1.64 1.99 2g5iA1 LEU 203 HG 0.09 0.01 -0.54 -0.04 1.64 1.17 2g5iA1 LEU 203 HD13 0.06 0.04 -0.07 -0.04 0.93 0.92 2g5iA1 LEU 203 HD23 0.07 -0.03 -0.14 -0.04 0.89 0.75 2g5iA1 VAL 204 H 0.07 0.50 0.18 -0.55 8.24 8.45 2g5iA1 VAL 204 HA 0.13 -0.01 0.38 -0.75 4.13 3.88 2g5iA1 VAL 204 HB 0.12 -0.03 0.17 -0.04 2.12 2.33 2g5iA1 VAL 204 HG13 0.35 0.04 -0.12 -0.04 0.97 1.20 2g5iA1 VAL 204 HG23 0.10 -0.01 -0.12 -0.04 0.95 0.88 2g5iA1 ALA 205 H 0.12 0.13 0.24 -0.55 8.40 8.34 2g5iA1 ALA 205 HA 0.15 -0.08 0.19 -0.75 4.34 3.85 2g5iA1 ALA 205 HB3 0.10 0.00 0.03 -0.04 1.41 1.50 2g5iA1 PHE 206 H 0.23 -0.07 -0.04 -0.55 8.34 7.91 2g5iA1 PHE 206 HA 0.06 0.25 0.70 -0.75 4.62 4.87 2g5iA1 PHE 206 HB2 0.09 0.18 -0.01 -0.04 3.15 3.37 2g5iA1 PHE 206 HB3 0.07 -0.23 0.13 -0.04 3.06 2.99 2g5iA1 PHE 206 HD2 0.03 -0.03 -0.08 -0.04 7.28 7.16 2g5iA1 PHE 206 HE2 0.01 -0.02 -0.16 -0.04 7.38 7.17 2g5iA1 PHE 206 HZ -0.05 -0.05 -0.15 -0.04 7.32 7.03 2g5iA1 ALA 207 H 0.00 0.14 0.06 -0.55 8.40 8.05 2g5iA1 ALA 207 HA -0.08 0.24 0.87 -0.75 4.34 4.61 2g5iA1 ALA 207 HB3 -0.41 0.04 0.08 -0.04 1.41 1.07 2g5iA1 SER 208 H 0.03 0.27 -0.02 -0.55 8.46 8.20 2g5iA1 SER 208 HA 0.10 0.03 0.33 -0.75 4.49 4.20 2g5iA1 SER 208 HB2 0.05 0.01 0.08 -0.04 3.95 4.05 2g5iA1 SER 208 HB3 0.09 0.07 0.00 -0.04 3.93 4.05 2g5iA1 SER 209 H 0.02 0.02 -0.28 -0.55 8.46 7.67 2g5iA1 SER 209 HA -0.03 0.17 0.57 -0.75 4.49 4.45 2g5iA1 SER 209 HB2 -0.11 0.10 0.12 -0.04 3.95 4.01 2g5iA1 SER 209 HB3 -0.01 -0.06 0.04 -0.04 3.93 3.86 2g5iA1 LEU 210 H 0.03 0.39 -0.23 -0.55 8.37 8.01 2g5iA1 LEU 210 HA 0.01 0.35 1.12 -0.75 4.35 5.08 2g5iA1 LEU 210 HB2 -0.07 -0.17 0.13 -0.04 1.64 1.49 2g5iA1 LEU 210 HB3 0.02 0.06 0.05 -0.04 1.64 1.72 2g5iA1 LEU 210 HG 0.02 -0.02 -0.06 -0.04 1.64 1.54 2g5iA1 LEU 210 HD13 -0.02 0.05 -0.27 -0.04 0.93 0.65 2g5iA1 LEU 210 HD23 -0.08 -0.08 -0.24 -0.04 0.89 0.45 2g5iA1 ASP 211 H 0.06 0.32 0.20 -0.55 8.40 8.43 2g5iA1 ASP 211 HA 0.09 0.03 0.31 -0.75 4.63 4.31 2g5iA1 ASP 211 HB2 0.11 0.06 -0.08 -0.04 2.71 2.76 2g5iA1 ASP 211 HB3 0.10 -0.05 -0.03 -0.04 2.70 2.68 2g5iA1 GLN 212 H 0.06 -0.04 0.10 -0.55 8.47 8.05 2g5iA1 GLN 212 HA -0.02 0.01 0.38 -0.75 4.36 3.97 2g5iA1 GLN 212 HB2 0.07 0.41 0.04 -0.04 2.15 2.63 2g5iA1 GLN 212 HB3 0.03 -0.08 -0.05 -0.04 2.02 1.87 2g5iA1 GLN 212 HG2 -0.02 0.33 -0.21 -0.04 2.40 2.46 2g5iA1 GLN 212 HG3 -0.03 0.04 -0.12 -0.04 2.39 2.25 2g5iA1 GLN 212 HE21 -0.14 0.07 0.16 -0.04 6.97 7.02 2g5iA1 GLN 212 HE22 -0.05 0.08 0.14 -0.04 7.69 7.81 2g5iA1 ILE 213 H -0.00 0.21 0.10 -0.55 8.25 8.02 2g5iA1 ILE 213 HA 0.02 0.11 0.82 -0.75 4.18 4.37 2g5iA1 ILE 213 HB 0.01 0.05 0.09 -0.04 1.89 2.00 2g5iA1 ILE 213 HG12 0.02 -0.00 -0.06 -0.04 1.49 1.40 2g5iA1 ILE 213 HG13 0.03 -0.08 -0.03 -0.04 1.21 1.09 2g5iA1 ILE 213 HG23 0.01 0.00 -0.20 -0.04 0.93 0.70 2g5iA1 ILE 213 HD13 0.03 0.02 -0.09 -0.04 0.88 0.80 2g5iA1 GLY 214 H 0.00 0.61 0.40 -0.55 8.43 8.89 2g5iA1 GLY 214 HA2 -0.01 0.18 0.93 -0.51 4.01 4.60 2g5iA1 GLY 214 HA3 -0.01 0.21 0.40 -0.51 4.01 4.10 2g5iA1 PRO 215 HA -0.00 0.30 0.98 -0.51 4.44 5.20 2g5iA1 PRO 215 HB2 0.02 0.02 -0.00 -0.04 2.28 2.27 2g5iA1 PRO 215 HB3 0.01 0.01 -0.00 -0.04 2.02 2.00 2g5iA1 PRO 215 HG2 0.06 -0.05 0.08 -0.04 2.03 2.08 2g5iA1 PRO 215 HG3 0.03 0.04 -0.00 -0.04 2.03 2.05 2g5iA1 PRO 215 HD2 0.00 0.17 0.26 -0.04 3.68 4.07 2g5iA1 PRO 215 HD3 0.00 0.14 0.11 -0.04 3.65 3.85 2g5iA1 LEU 216 H -0.00 0.59 0.37 -0.55 8.37 8.78 2g5iA1 LEU 216 HA 0.02 0.33 1.09 -0.75 4.35 5.04 2g5iA1 LEU 216 HB2 -0.02 -0.02 0.01 -0.04 1.64 1.57 2g5iA1 LEU 216 HB3 -0.01 0.06 -0.11 -0.04 1.64 1.55 2g5iA1 LEU 216 HG -0.00 0.03 -0.17 -0.04 1.64 1.47 2g5iA1 LEU 216 HD13 -0.01 -0.10 -0.57 -0.04 0.93 0.22 2g5iA1 LEU 216 HD23 -0.02 -0.03 -0.43 -0.04 0.89 0.37 2g5iA1 THR 217 H 0.05 0.74 0.36 -0.55 8.28 8.88 2g5iA1 THR 217 HA 0.01 0.29 0.92 -0.75 4.39 4.85 2g5iA1 THR 217 HB 0.05 -0.12 0.28 -0.04 4.32 4.49 2g5iA1 THR 217 HG23 0.03 0.01 -0.28 -0.04 1.22 0.93 2g5iA1 ARG 218 H 0.04 0.22 0.28 -0.55 8.46 8.45 2g5iA1 ARG 218 HA 0.04 0.18 0.69 -0.75 4.34 4.50 2g5iA1 ARG 218 HB2 0.10 -0.09 0.21 -0.04 1.90 2.08 2g5iA1 ARG 218 HB3 0.32 0.00 0.19 -0.04 1.80 2.27 2g5iA1 ARG 218 HG2 -0.57 0.07 0.06 -0.04 1.67 1.19 2g5iA1 ARG 218 HG3 -0.11 -0.01 0.08 -0.04 1.67 1.59 2g5iA1 ARG 218 HD2 0.21 -0.07 0.10 -0.04 3.22 3.43 2g5iA1 ARG 218 HD3 -0.11 0.16 0.10 -0.04 3.22 3.33 2g5iA1 ASN 219 H 0.14 0.07 -0.05 -0.55 8.53 8.14 2g5iA1 ASN 219 HA 0.28 0.29 0.75 -0.75 4.76 5.33 2g5iA1 ASN 219 HB2 0.27 0.01 0.17 -0.04 2.88 3.29 2g5iA1 ASN 219 HB3 0.28 0.20 -0.11 -0.04 2.79 3.12 2g5iA1 ASN 219 HD21 0.05 -0.13 0.08 -0.04 7.03 7.00 2g5iA1 ASN 219 HD22 0.07 0.20 -0.01 -0.04 7.74 7.95 2g5iA1 VAL 220 H 0.22 0.30 0.17 -0.55 8.24 8.38 2g5iA1 VAL 220 HA 0.24 0.10 0.37 -0.75 4.13 4.09 2g5iA1 VAL 220 HB 0.27 0.02 0.09 -0.04 2.12 2.46 2g5iA1 VAL 220 HG13 0.40 0.02 -0.17 -0.04 0.97 1.19 2g5iA1 VAL 220 HG23 0.22 0.07 -0.06 -0.04 0.95 1.14 2g5iA1 LYS 221 H 0.20 0.08 -0.18 -0.55 8.42 7.96 2g5iA1 LYS 221 HA 0.05 0.17 0.47 -0.75 4.32 4.25 2g5iA1 LYS 221 HB2 0.21 0.01 0.09 -0.04 1.87 2.14 2g5iA1 LYS 221 HB3 0.08 -0.04 -0.05 -0.04 1.79 1.75 2g5iA1 LYS 221 HG2 0.02 0.05 0.00 -0.04 1.46 1.49 2g5iA1 LYS 221 HG3 0.10 0.06 -0.02 -0.04 1.46 1.56 2g5iA1 LYS 221 HD2 0.02 -0.05 -0.08 -0.04 1.69 1.54 2g5iA1 LYS 221 HD3 -0.01 -0.05 0.01 -0.04 1.68 1.59 2g5iA1 LYS 221 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.90 2g5iA1 LYS 221 HE3 -0.07 0.06 -0.02 -0.04 2.99 2.92 2g5iA1 ASP 222 H 0.08 0.07 -0.14 -0.55 8.40 7.86 2g5iA1 ASP 222 HA 0.01 0.09 0.46 -0.75 4.63 4.43 2g5iA1 ASP 222 HB2 0.06 0.03 0.20 -0.04 2.71 2.96 2g5iA1 ASP 222 HB3 0.03 0.12 0.09 -0.04 2.70 2.90 2g5iA1 ASN 223 H 0.07 0.43 -0.11 -0.55 8.53 8.38 2g5iA1 ASN 223 HA 0.05 0.03 0.22 -0.75 4.76 4.31 2g5iA1 ASN 223 HB2 0.15 0.08 0.03 -0.04 2.88 3.10 2g5iA1 ASN 223 HB3 0.25 0.02 0.05 -0.04 2.79 3.07 2g5iA1 ASN 223 HD21 0.09 0.10 -0.05 -0.04 7.03 7.13 2g5iA1 ASN 223 HD22 0.11 0.06 -0.19 -0.04 7.74 7.68 2g5iA1 ALA 224 H -0.27 0.43 -0.22 -0.55 8.40 7.78 2g5iA1 ALA 224 HA -0.82 -0.03 0.27 -0.75 4.34 3.01 2g5iA1 ALA 224 HB3 -0.86 0.02 -0.01 -0.04 1.41 0.52 2g5iA1 ILE 225 H -0.10 0.44 -0.26 -0.55 8.25 7.78 2g5iA1 ILE 225 HA -0.01 -0.07 0.38 -0.75 4.18 3.72 2g5iA1 ILE 225 HB -0.01 0.11 0.26 -0.04 1.89 2.21 2g5iA1 ILE 225 HG12 -0.01 -0.07 0.07 -0.04 1.49 1.43 2g5iA1 ILE 225 HG13 -0.03 0.35 0.15 -0.04 1.21 1.64 2g5iA1 ILE 225 HG23 0.01 -0.01 -0.10 -0.04 0.93 0.79 2g5iA1 ILE 225 HD13 0.00 -0.04 -0.03 -0.04 0.88 0.78 2g5iA1 VAL 226 H -0.01 0.62 -0.05 -0.55 8.24 8.24 2g5iA1 VAL 226 HA 0.02 0.01 0.33 -0.75 4.13 3.73 2g5iA1 VAL 226 HB 0.01 0.13 0.11 -0.04 2.12 2.32 2g5iA1 VAL 226 HG13 0.00 -0.03 -0.13 -0.04 0.97 0.78 2g5iA1 VAL 226 HG23 0.01 0.04 -0.01 -0.04 0.95 0.95 2g5iA1 LEU 227 H -0.02 0.53 -0.12 -0.55 8.37 8.22 2g5iA1 LEU 227 HA 0.01 -0.02 0.41 -0.75 4.35 3.99 2g5iA1 LEU 227 HB2 -0.04 -0.01 0.05 -0.04 1.64 1.60 2g5iA1 LEU 227 HB3 -0.19 0.08 0.12 -0.04 1.64 1.61 2g5iA1 LEU 227 HG -0.30 0.02 -0.18 -0.04 1.64 1.14 2g5iA1 LEU 227 HD13 -0.05 -0.01 0.02 -0.04 0.93 0.85 2g5iA1 LEU 227 HD23 -0.59 -0.03 -0.07 -0.04 0.89 0.17 2g5iA1 GLU 228 H 0.15 0.54 -0.04 -0.55 8.60 8.70 2g5iA1 GLU 228 HA 0.38 0.03 0.43 -0.75 4.29 4.38 2g5iA1 GLU 228 HB2 0.09 0.22 0.18 -0.04 2.09 2.53 2g5iA1 GLU 228 HB3 0.09 -0.04 0.13 -0.04 1.99 2.13 2g5iA1 GLU 228 HG2 0.34 -0.10 0.21 -0.04 2.34 2.75 2g5iA1 GLU 228 HG3 0.17 0.22 0.10 -0.04 2.34 2.79 2g5iA1 ALA 229 H 0.07 0.25 -0.50 -0.55 8.40 7.67 2g5iA1 ALA 229 HA 0.05 -0.03 0.38 -0.75 4.34 3.98 2g5iA1 ALA 229 HB3 0.03 0.05 0.07 -0.04 1.41 1.52 2g5iA1 ILE 230 H 0.06 0.31 -0.01 -0.55 8.25 8.05 2g5iA1 ILE 230 HA 0.05 0.19 1.02 -0.75 4.18 4.69 2g5iA1 ILE 230 HB 0.04 -0.16 0.08 -0.04 1.89 1.80 2g5iA1 ILE 230 HG12 0.03 0.14 0.10 -0.04 1.49 1.72 2g5iA1 ILE 230 HG13 0.04 0.05 -0.17 -0.04 1.21 1.09 2g5iA1 ILE 230 HG23 0.02 -0.00 -0.10 -0.04 0.93 0.80 2g5iA1 ILE 230 HD13 0.01 -0.05 -0.15 -0.04 0.88 0.65 2g5iA1 SER 231 H 0.13 0.64 0.10 -0.55 8.46 8.79 2g5iA1 SER 231 HA 0.10 0.07 0.61 -0.75 4.49 4.52 2g5iA1 SER 231 HB2 0.37 0.04 0.07 -0.04 3.95 4.39 2g5iA1 SER 231 HB3 0.29 -0.04 0.12 -0.04 3.93 4.26 2g5iA1 GLY 232 H 0.12 0.41 0.29 -0.55 8.43 8.70 2g5iA1 GLY 232 HA2 0.07 -0.02 0.46 -0.51 4.01 4.01 2g5iA1 GLY 232 HA3 0.06 0.25 0.98 -0.51 4.01 4.79 2g5iA1 ALA 233 H 0.03 0.16 0.19 -0.55 8.40 8.24 2g5iA1 ALA 233 HA 0.04 0.04 0.21 -0.75 4.34 3.87 2g5iA1 ALA 233 HB3 0.01 -0.01 0.01 -0.04 1.41 1.39 2g5iA1 ASP 234 H 0.02 0.29 0.12 -0.55 8.40 8.29 2g5iA1 ASP 234 HA 0.00 0.18 0.80 -0.75 4.63 4.86 2g5iA1 ASP 234 HB2 0.04 0.28 -0.08 -0.04 2.71 2.91 2g5iA1 ASP 234 HB3 0.03 -0.13 0.15 -0.04 2.70 2.72 2g5iA1 VAL 235 H -0.03 0.24 0.11 -0.55 8.24 8.01 2g5iA1 VAL 235 HA -0.02 0.17 0.38 -0.75 4.13 3.91 2g5iA1 VAL 235 HB -0.04 0.03 0.09 -0.04 2.12 2.17 2g5iA1 VAL 235 HG13 -0.02 0.02 0.01 -0.04 0.97 0.94 2g5iA1 VAL 235 HG23 -0.06 0.00 -0.05 -0.04 0.95 0.80 2g5iA1 ASN 236 H -0.10 0.02 -0.40 -0.55 8.53 7.50 2g5iA1 ASN 236 HA -0.17 0.23 0.71 -0.75 4.76 4.77 2g5iA1 ASN 236 HB2 -0.53 -0.06 0.01 -0.04 2.88 2.26 2g5iA1 ASN 236 HB3 -1.23 0.02 0.12 -0.04 2.79 1.65 2g5iA1 ASN 236 HD21 -0.16 0.07 -0.02 -0.04 7.03 6.89 2g5iA1 ASN 236 HD22 -0.20 -0.03 0.01 -0.04 7.74 7.48 2g5iA1 ASP 237 H 0.00 0.46 -0.34 -0.55 8.40 7.97 2g5iA1 ASP 237 HA 0.12 0.16 0.94 -0.75 4.63 5.09 2g5iA1 ASP 237 HB2 0.14 -0.18 0.06 -0.04 2.71 2.69 2g5iA1 ASP 237 HB3 0.06 0.15 0.24 -0.04 2.70 3.10 2g5iA1 SER 238 H 0.07 0.19 0.03 -0.55 8.46 8.19 2g5iA1 SER 238 HA 0.04 0.12 0.33 -0.75 4.49 4.23 2g5iA1 SER 238 HB2 0.06 -0.06 0.07 -0.04 3.95 3.99 2g5iA1 SER 238 HB3 0.05 0.06 0.02 -0.04 3.93 4.02 2g5iA1 THR 239 H 0.07 -0.12 -0.44 -0.55 8.28 7.24 2g5iA1 THR 239 HA 0.10 0.23 0.61 -0.75 4.39 4.58 2g5iA1 THR 239 HB 0.23 0.08 0.04 -0.04 4.32 4.63 2g5iA1 THR 239 HG23 0.14 -0.02 -0.06 -0.04 1.22 1.24 2g5iA1 SER 240 H 0.04 0.25 -0.15 -0.55 8.46 8.05 2g5iA1 SER 240 HA 0.01 -0.03 0.44 -0.75 4.49 4.15 2g5iA1 SER 240 HB2 0.04 0.14 -0.11 -0.04 3.95 3.98 2g5iA1 SER 240 HB3 0.03 -0.23 0.05 -0.04 3.93 3.74 2g5iA1 ALA 241 H 0.13 0.61 0.39 -0.55 8.40 8.99 2g5iA1 ALA 241 HA 0.08 0.15 0.50 -0.75 4.34 4.31 2g5iA1 ALA 241 HB3 0.20 0.01 0.04 -0.04 1.41 1.62 2g5iA1 PRO 242 HA -0.01 0.04 0.48 -0.51 4.44 4.44 2g5iA1 PRO 242 HB2 -0.02 -0.02 0.18 -0.04 2.28 2.38 2g5iA1 PRO 242 HB3 -0.00 0.04 0.11 -0.04 2.02 2.12 2g5iA1 PRO 242 HG2 -0.05 -0.00 0.09 -0.04 2.03 2.03 2g5iA1 PRO 242 HG3 -0.01 0.02 0.10 -0.04 2.03 2.10 2g5iA1 PRO 242 HD2 -0.01 0.07 0.12 -0.04 3.68 3.82 2g5iA1 PRO 242 HD3 0.02 0.23 0.20 -0.04 3.65 4.07 2g5iA1 VAL 243 H -0.04 0.63 0.02 -0.55 8.24 8.30 2g5iA1 VAL 243 HA -0.15 0.12 0.89 -0.75 4.13 4.24 2g5iA1 VAL 243 HB -0.07 0.06 0.04 -0.04 2.12 2.10 2g5iA1 VAL 243 HG13 -0.13 -0.01 -0.16 -0.04 0.97 0.63 2g5iA1 VAL 243 HG23 -0.81 -0.01 -0.18 -0.04 0.95 -0.09 2g5iA1 ASP 244 H -0.08 0.09 0.12 -0.55 8.40 7.99 2g5iA1 ASP 244 HA -0.03 0.18 0.64 -0.75 4.63 4.66 2g5iA1 ASP 244 HB2 -0.05 -0.07 0.17 -0.04 2.71 2.72 2g5iA1 ASP 244 HB3 -0.04 0.01 0.01 -0.04 2.70 2.63 2g5iA1 ASP 245 H -0.07 0.05 0.09 -0.55 8.40 7.93 2g5iA1 ASP 245 HA -0.09 -0.01 0.41 -0.75 4.63 4.18 2g5iA1 ASP 245 HB2 -0.07 0.01 0.15 -0.04 2.71 2.76 2g5iA1 ASP 245 HB3 -0.07 0.03 0.18 -0.04 2.70 2.80 2g5iA1 VAL 246 H -0.15 0.14 0.25 -0.55 8.24 7.93 2g5iA1 VAL 246 HA -0.54 0.19 0.85 -0.75 4.13 3.88 2g5iA1 VAL 246 HB -0.03 0.02 0.20 -0.04 2.12 2.27 2g5iA1 VAL 246 HG13 0.01 0.09 -0.19 -0.04 0.97 0.84 2g5iA1 VAL 246 HG23 -0.05 0.02 0.05 -0.04 0.95 0.92 2g5iA1 ASP 247 H -0.30 0.10 -0.12 -0.55 8.40 7.54 2g5iA1 ASP 247 HA -0.17 0.14 0.78 -0.75 4.63 4.63 2g5iA1 ASP 247 HB2 -0.11 0.05 0.10 -0.04 2.71 2.72 2g5iA1 ASP 247 HB3 -0.12 0.02 0.19 -0.04 2.70 2.74 2g5iA1 PHE 248 H -0.02 0.30 0.15 -0.55 8.34 8.21 2g5iA1 PHE 248 HA 0.05 0.16 0.78 -0.75 4.62 4.85 2g5iA1 PHE 248 HB2 -0.08 0.09 -0.01 -0.04 3.15 3.11 2g5iA1 PHE 248 HB3 0.06 -0.03 -0.00 -0.04 3.06 3.05 2g5iA1 PHE 248 HD2 0.09 -0.05 -0.09 -0.04 7.28 7.20 2g5iA1 PHE 248 HE2 0.09 0.05 -0.09 -0.04 7.38 7.39 2g5iA1 PHE 248 HZ 0.11 0.05 -0.03 -0.04 7.32 7.41 2g5iA1 THR 249 H 0.02 0.04 -0.00 -0.55 8.28 7.78 2g5iA1 THR 249 HA -0.03 0.18 0.67 -0.75 4.39 4.46 2g5iA1 THR 249 HB -0.04 0.08 0.00 -0.04 4.32 4.32 2g5iA1 THR 249 HG23 -0.03 0.01 -0.04 -0.04 1.22 1.12 2g5iA1 SER 250 H -0.02 -0.01 -0.14 -0.55 8.46 7.74 2g5iA1 SER 250 HA -0.02 0.06 0.27 -0.75 4.49 4.04 2g5iA1 SER 250 HB2 -0.02 0.04 0.01 -0.04 3.95 3.94 2g5iA1 SER 250 HB3 -0.03 -0.06 0.04 -0.04 3.93 3.83 2g5iA1 GLU 251 H 0.02 0.05 -0.40 -0.55 8.60 7.73 2g5iA1 GLU 251 HA -0.01 0.20 0.81 -0.75 4.29 4.53 2g5iA1 GLU 251 HB2 0.04 0.07 -0.05 -0.04 2.09 2.11 2g5iA1 GLU 251 HB3 0.02 -0.00 0.07 -0.04 1.99 2.04 2g5iA1 GLU 251 HG2 0.01 0.05 -0.11 -0.04 2.34 2.24 2g5iA1 GLU 251 HG3 0.01 -0.08 -0.14 -0.04 2.34 2.09 2g5iA1 ILE 252 H -0.03 0.62 -0.08 -0.55 8.25 8.21 2g5iA1 ILE 252 HA -0.06 -0.00 0.39 -0.75 4.18 3.76 2g5iA1 ILE 252 HB -0.13 0.09 0.17 -0.04 1.89 1.98 2g5iA1 ILE 252 HG12 0.07 0.00 -0.14 -0.04 1.49 1.38 2g5iA1 ILE 252 HG13 0.01 0.09 0.13 -0.04 1.21 1.41 2g5iA1 ILE 252 HG23 -0.46 -0.03 -0.20 -0.04 0.93 0.21 2g5iA1 ILE 252 HD13 -0.08 -0.05 -0.01 -0.04 0.88 0.69 2g5iA1 GLY 253 H -0.20 0.19 0.16 -0.55 8.43 8.03 2g5iA1 GLY 253 HA2 -0.34 -0.03 0.33 -0.51 4.01 3.46 2g5iA1 GLY 253 HA3 -0.20 0.18 0.83 -0.51 4.01 4.31 2g5iA1 LYS 254 H -0.04 0.41 -0.19 -0.55 8.42 8.05 2g5iA1 LYS 254 HA 0.01 -0.01 0.41 -0.75 4.32 3.98 2g5iA1 LYS 254 HB2 0.01 0.15 0.14 -0.04 1.87 2.13 2g5iA1 LYS 254 HB3 0.01 0.01 0.09 -0.04 1.79 1.86 2g5iA1 LYS 254 HG2 -0.00 -0.06 0.03 -0.04 1.46 1.39 2g5iA1 LYS 254 HG3 -0.01 0.07 -0.01 -0.04 1.46 1.47 2g5iA1 LYS 254 HD2 0.00 -0.01 0.05 -0.04 1.69 1.69 2g5iA1 LYS 254 HD3 0.01 -0.02 0.02 -0.04 1.68 1.64 2g5iA1 LYS 254 HE2 -0.00 -0.03 -0.00 -0.04 2.99 2.92 2g5iA1 LYS 254 HE3 -0.01 0.08 0.01 -0.04 2.99 3.03 2g5iA1 ASP 255 H 0.03 0.04 0.18 -0.55 8.40 8.10 2g5iA1 ASP 255 HA 0.05 0.12 0.50 -0.75 4.63 4.54 2g5iA1 ASP 255 HB2 0.03 -0.18 0.19 -0.04 2.71 2.72 2g5iA1 ASP 255 HB3 0.03 0.08 0.16 -0.04 2.70 2.93 2g5iA1 ILE 256 H 0.04 0.05 0.20 -0.55 8.25 7.99 2g5iA1 ILE 256 HA 0.03 0.31 0.91 -0.75 4.18 4.67 2g5iA1 ILE 256 HB 0.03 -0.01 0.16 -0.04 1.89 2.03 2g5iA1 ILE 256 HG12 0.05 -0.01 0.11 -0.04 1.49 1.59 2g5iA1 ILE 256 HG13 0.05 -0.19 -0.13 -0.04 1.21 0.89 2g5iA1 ILE 256 HG23 0.02 0.03 -0.15 -0.04 0.93 0.79 2g5iA1 ILE 256 HD13 0.05 0.06 0.05 -0.04 0.88 1.00 2g5iA1 LYS 257 H 0.03 0.03 0.04 -0.55 8.42 7.97 2g5iA1 LYS 257 HA 0.03 -0.04 0.16 -0.75 4.32 3.72 2g5iA1 LYS 257 HB2 0.02 0.11 0.01 -0.04 1.87 1.98 2g5iA1 LYS 257 HB3 0.03 0.02 0.17 -0.04 1.79 1.97 2g5iA1 LYS 257 HG2 0.03 -0.15 0.09 -0.04 1.46 1.39 2g5iA1 LYS 257 HG3 0.02 0.05 -0.00 -0.04 1.46 1.49 2g5iA1 LYS 257 HD2 0.02 -0.02 0.06 -0.04 1.69 1.71 2g5iA1 LYS 257 HD3 0.02 0.01 0.02 -0.04 1.68 1.69 2g5iA1 LYS 257 HE2 0.02 0.01 -0.00 -0.04 2.99 2.97 2g5iA1 LYS 257 HE3 0.02 0.06 0.03 -0.04 2.99 3.06 2g5iA1 GLY 258 H 0.03 0.43 -0.01 -0.55 8.43 8.34 2g5iA1 GLY 258 HA2 0.02 0.02 0.32 -0.51 4.01 3.86 2g5iA1 GLY 258 HA3 0.02 0.12 0.57 -0.51 4.01 4.20 2g5iA1 LEU 259 H 0.04 0.56 -0.44 -0.55 8.37 7.99 2g5iA1 LEU 259 HA 0.04 0.01 0.39 -0.75 4.35 4.03 2g5iA1 LEU 259 HB2 0.03 0.01 0.08 -0.04 1.64 1.72 2g5iA1 LEU 259 HB3 0.05 -0.01 0.21 -0.04 1.64 1.84 2g5iA1 LEU 259 HG 0.07 0.00 -0.40 -0.04 1.64 1.27 2g5iA1 LEU 259 HD13 0.04 -0.00 -0.06 -0.04 0.93 0.87 2g5iA1 LEU 259 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.78 2g5iA1 LYS 260 H 0.05 0.15 0.25 -0.55 8.42 8.32 2g5iA1 LYS 260 HA 0.10 0.17 0.68 -0.75 4.32 4.53 2g5iA1 LYS 260 HB2 -0.00 -0.15 0.30 -0.04 1.87 1.98 2g5iA1 LYS 260 HB3 -0.20 0.11 0.19 -0.04 1.79 1.85 2g5iA1 LYS 260 HG2 -0.07 -0.02 0.10 -0.04 1.46 1.42 2g5iA1 LYS 260 HG3 -0.02 0.11 0.20 -0.04 1.46 1.72 2g5iA1 LYS 260 HD2 -0.06 -0.05 0.05 -0.04 1.69 1.58 2g5iA1 LYS 260 HD3 -0.12 0.02 -0.01 -0.04 1.68 1.53 2g5iA1 LYS 260 HE2 -0.12 -0.09 0.06 -0.04 2.99 2.79 2g5iA1 LYS 260 HE3 -0.15 -0.04 0.06 -0.04 2.99 2.81 2g5iA1 VAL 261 H 0.19 0.83 0.50 -0.55 8.24 9.21 2g5iA1 VAL 261 HA 0.20 0.11 0.82 -0.75 4.13 4.50 2g5iA1 VAL 261 HB 0.12 0.01 -0.04 -0.04 2.12 2.17 2g5iA1 VAL 261 HG13 0.14 -0.02 -0.21 -0.04 0.97 0.85 2g5iA1 VAL 261 HG23 0.11 0.05 -0.18 -0.04 0.95 0.89 2g5iA1 ALA 262 H 0.01 0.38 0.33 -0.55 8.40 8.58 2g5iA1 ALA 262 HA -0.39 0.39 1.06 -0.75 4.34 4.64 2g5iA1 ALA 262 HB3 -0.77 -0.02 0.04 -0.04 1.41 0.62 2g5iA1 LEU 263 H -0.15 0.52 0.07 -0.55 8.37 8.27 2g5iA1 LEU 263 HA -0.08 0.32 0.75 -0.75 4.35 4.59 2g5iA1 LEU 263 HB2 -0.03 0.01 -0.13 -0.04 1.64 1.44 2g5iA1 LEU 263 HB3 -0.06 -0.10 0.08 -0.04 1.64 1.52 2g5iA1 LEU 263 HG -0.01 -0.00 -0.13 -0.04 1.64 1.46 2g5iA1 LEU 263 HD13 -0.03 -0.01 -0.15 -0.04 0.93 0.71 2g5iA1 LEU 263 HD23 -0.01 0.02 -0.18 -0.04 0.89 0.68 2g5iA1 PRO 264 HA -0.29 0.02 0.19 -0.51 4.44 3.86 2g5iA1 PRO 264 HB2 -0.78 -0.15 -0.03 -0.04 2.28 1.27 2g5iA1 PRO 264 HB3 -0.59 0.07 -0.06 -0.04 2.02 1.40 2g5iA1 PRO 264 HG2 -0.90 -0.09 0.14 -0.04 2.03 1.15 2g5iA1 PRO 264 HG3 -1.39 0.09 0.04 -0.04 2.03 0.73 2g5iA1 PRO 264 HD2 -0.13 0.45 0.39 -0.04 3.68 4.34 2g5iA1 PRO 264 HD3 -0.26 0.30 0.18 -0.04 3.65 3.83 2g5iA1 LYS 265 H -0.16 0.42 0.27 -0.55 8.42 8.39 2g5iA1 LYS 265 HA -0.07 0.14 0.32 -0.75 4.32 3.96 2g5iA1 LYS 265 HB2 -0.06 0.01 0.02 -0.04 1.87 1.80 2g5iA1 LYS 265 HB3 -0.07 0.11 0.17 -0.04 1.79 1.95 2g5iA1 LYS 265 HG2 -0.11 0.08 0.24 -0.04 1.46 1.62 2g5iA1 LYS 265 HG3 -0.09 -0.12 0.04 -0.04 1.46 1.25 2g5iA1 LYS 265 HD2 -0.05 0.00 -0.01 -0.04 1.69 1.59 2g5iA1 LYS 265 HD3 -0.06 0.08 0.04 -0.04 1.68 1.69 2g5iA1 LYS 265 HE2 -0.07 0.01 0.02 -0.04 2.99 2.91 2g5iA1 LYS 265 HE3 -0.07 -0.07 0.00 -0.04 2.99 2.81 2g5iA1 GLU 266 H -0.14 0.01 -0.19 -0.55 8.60 7.74 2g5iA1 GLU 266 HA -0.03 0.01 0.30 -0.75 4.29 3.82 2g5iA1 GLU 266 HB2 -0.08 0.02 -0.01 -0.04 2.09 1.98 2g5iA1 GLU 266 HB3 0.03 0.02 -0.01 -0.04 1.99 1.99 2g5iA1 GLU 266 HG2 -0.09 0.18 -0.05 -0.04 2.34 2.34 2g5iA1 GLU 266 HG3 -0.08 0.01 0.01 -0.04 2.34 2.25 2g5iA1 TYR 267 H -0.01 0.46 -0.54 -0.55 8.29 7.65 2g5iA1 TYR 267 HA -0.06 0.04 0.45 -0.75 4.56 4.24 2g5iA1 TYR 267 HB2 -0.07 0.24 0.10 -0.04 3.06 3.30 2g5iA1 TYR 267 HB3 -0.06 -0.03 0.15 -0.04 2.98 3.00 2g5iA1 TYR 267 HD2 -0.06 -0.01 -0.28 -0.04 7.15 6.76 2g5iA1 TYR 267 HE2 -0.02 -0.03 -0.10 -0.04 6.85 6.65 2g5iA1 LEU 268 H 0.03 0.77 -0.27 -0.55 8.37 8.36 2g5iA1 LEU 268 HA 0.01 0.14 0.77 -0.75 4.35 4.51 2g5iA1 LEU 268 HB2 -0.00 -0.00 -0.04 -0.04 1.64 1.56 2g5iA1 LEU 268 HB3 -0.01 -0.05 0.15 -0.04 1.64 1.69 2g5iA1 LEU 268 HG -0.01 -0.04 0.05 -0.04 1.64 1.60 2g5iA1 LEU 268 HD13 -0.00 0.01 0.01 -0.04 0.93 0.90 2g5iA1 LEU 268 HD23 -0.01 -0.01 -0.11 -0.04 0.89 0.71 2g5iA1 GLY 269 H 0.02 0.27 -0.27 -0.55 8.43 7.90 2g5iA1 GLY 269 HA2 -0.02 0.07 0.34 -0.51 4.01 3.89 2g5iA1 GLY 269 HA3 -0.02 -0.06 0.37 -0.51 4.01 3.79 2g5iA1 GLU 270 H -0.03 0.05 0.13 -0.55 8.60 8.21 2g5iA1 GLU 270 HA -0.02 0.17 0.40 -0.75 4.29 4.09 2g5iA1 GLU 270 HB2 -0.03 -0.03 0.15 -0.04 2.09 2.15 2g5iA1 GLU 270 HB3 -0.03 -0.05 0.10 -0.04 1.99 1.96 2g5iA1 GLU 270 HG2 -0.02 0.01 -0.09 -0.04 2.34 2.20 2g5iA1 GLU 270 HG3 -0.02 0.05 0.03 -0.04 2.34 2.36 2g5iA1 GLY 271 H -0.02 0.02 -0.03 -0.55 8.43 7.85 2g5iA1 GLY 271 HA2 -0.02 -0.01 0.28 -0.51 4.01 3.76 2g5iA1 GLY 271 HA3 -0.02 -0.02 0.25 -0.51 4.01 3.72 2g5iA1 VAL 272 H -0.02 0.05 -0.71 -0.55 8.24 7.02 2g5iA1 VAL 272 HA -0.02 -0.02 0.51 -0.75 4.13 3.85 2g5iA1 VAL 272 HB -0.02 0.18 -0.07 -0.04 2.12 2.17 2g5iA1 VAL 272 HG13 -0.02 0.06 -0.02 -0.04 0.97 0.95 2g5iA1 VAL 272 HG23 -0.02 -0.02 -0.19 -0.04 0.95 0.68 2g5iA1 ALA 273 H -0.01 0.62 0.36 -0.55 8.40 8.82 2g5iA1 ALA 273 HA -0.02 0.11 0.46 -0.75 4.34 4.14 2g5iA1 ALA 273 HB3 -0.02 -0.05 0.19 -0.04 1.41 1.49 2g5iA1 ASP 274 H -0.02 0.10 0.19 -0.55 8.40 8.11 2g5iA1 ASP 274 HA -0.02 0.23 0.54 -0.75 4.63 4.62 2g5iA1 ASP 274 HB2 -0.02 -0.08 0.20 -0.04 2.71 2.76 2g5iA1 ASP 274 HB3 -0.02 0.03 0.02 -0.04 2.70 2.69 2g5iA1 ASP 275 H -0.03 0.10 0.06 -0.55 8.40 7.99 2g5iA1 ASP 275 HA -0.03 0.07 0.35 -0.75 4.63 4.27 2g5iA1 ASP 275 HB2 -0.04 0.09 -0.02 -0.04 2.71 2.70 2g5iA1 ASP 275 HB3 -0.03 0.02 0.11 -0.04 2.70 2.76 2g5iA1 VAL 276 H -0.04 0.02 -0.39 -0.55 8.24 7.28 2g5iA1 VAL 276 HA -0.05 0.03 0.23 -0.75 4.13 3.58 2g5iA1 VAL 276 HB -0.03 0.10 0.01 -0.04 2.12 2.15 2g5iA1 VAL 276 HG13 -0.04 0.05 -0.18 -0.04 0.97 0.76 2g5iA1 VAL 276 HG23 -0.04 -0.02 -0.17 -0.04 0.95 0.68 2g5iA1 LYS 277 H -0.03 0.42 -0.25 -0.55 8.42 8.01 2g5iA1 LYS 277 HA -0.03 -0.00 0.31 -0.75 4.32 3.84 2g5iA1 LYS 277 HB2 -0.02 0.25 0.13 -0.04 1.87 2.19 2g5iA1 LYS 277 HB3 -0.02 0.03 0.23 -0.04 1.79 1.99 2g5iA1 LYS 277 HG2 -0.02 -0.08 -0.20 -0.04 1.46 1.11 2g5iA1 LYS 277 HG3 -0.02 0.00 0.04 -0.04 1.46 1.45 2g5iA1 LYS 277 HD2 -0.02 -0.10 -0.00 -0.04 1.69 1.53 2g5iA1 LYS 277 HD3 -0.02 -0.05 -0.00 -0.04 1.68 1.57 2g5iA1 LYS 277 HE2 -0.02 0.24 0.03 -0.04 2.99 3.20 2g5iA1 LYS 277 HE3 -0.02 0.12 -0.07 -0.04 2.99 2.98 2g5iA1 GLU 278 H -0.03 0.62 -0.13 -0.55 8.60 8.51 2g5iA1 GLU 278 HA -0.02 -0.03 0.35 -0.75 4.29 3.83 2g5iA1 GLU 278 HB2 -0.03 -0.03 0.08 -0.04 2.09 2.08 2g5iA1 GLU 278 HB3 -0.03 0.12 0.17 -0.04 1.99 2.20 2g5iA1 GLU 278 HG2 -0.03 0.01 -0.23 -0.04 2.34 2.05 2g5iA1 GLU 278 HG3 -0.02 -0.03 0.00 -0.04 2.34 2.25 2g5iA1 ALA 279 H -0.05 0.54 -0.04 -0.55 8.40 8.30 2g5iA1 ALA 279 HA -0.07 -0.05 0.36 -0.75 4.34 3.82 2g5iA1 ALA 279 HB3 -0.09 0.03 0.01 -0.04 1.41 1.32 2g5iA1 VAL 280 H -0.06 0.61 -0.21 -0.55 8.24 8.03 2g5iA1 VAL 280 HA -0.09 -0.01 0.39 -0.75 4.13 3.67 2g5iA1 VAL 280 HB -0.04 0.15 0.02 -0.04 2.12 2.20 2g5iA1 VAL 280 HG13 -0.07 -0.03 -0.14 -0.04 0.97 0.68 2g5iA1 VAL 280 HG23 -0.08 0.04 -0.09 -0.04 0.95 0.78 2g5iA1 GLN 281 H -0.03 0.64 -0.05 -0.55 8.47 8.49 2g5iA1 GLN 281 HA -0.01 -0.00 0.46 -0.75 4.36 4.06 2g5iA1 GLN 281 HB2 -0.02 0.17 0.19 -0.04 2.15 2.46 2g5iA1 GLN 281 HB3 -0.01 -0.09 0.02 -0.04 2.02 1.91 2g5iA1 GLN 281 HG2 -0.01 -0.06 0.01 -0.04 2.40 2.30 2g5iA1 GLN 281 HG3 -0.02 0.10 0.01 -0.04 2.39 2.44 2g5iA1 GLN 281 HE21 -0.02 -0.04 -0.05 -0.04 6.97 6.81 2g5iA1 GLN 281 HE22 -0.02 0.02 -0.04 -0.04 7.69 7.61 2g5iA1 ASN 282 H -0.02 0.50 -0.16 -0.55 8.53 8.31 2g5iA1 ASN 282 HA 0.01 0.01 0.46 -0.75 4.76 4.48 2g5iA1 ASN 282 HB2 -0.02 0.23 0.18 -0.04 2.88 3.23 2g5iA1 ASN 282 HB3 0.00 -0.01 -0.03 -0.04 2.79 2.71 2g5iA1 ASN 282 HD21 -0.02 -0.06 -0.04 -0.04 7.03 6.87 2g5iA1 ASN 282 HD22 -0.04 0.04 -0.06 -0.04 7.74 7.64 2g5iA1 ALA 283 H 0.02 0.52 -0.07 -0.55 8.40 8.32 2g5iA1 ALA 283 HA 0.35 0.01 0.29 -0.75 4.34 4.22 2g5iA1 ALA 283 HB3 -0.08 0.07 0.06 -0.04 1.41 1.43 2g5iA1 VAL 284 H 0.03 0.54 -0.36 -0.55 8.24 7.90 2g5iA1 VAL 284 HA 0.07 -0.03 0.24 -0.75 4.13 3.66 2g5iA1 VAL 284 HB 0.03 0.20 0.13 -0.04 2.12 2.43 2g5iA1 VAL 284 HG13 0.04 -0.03 -0.07 -0.04 0.97 0.86 2g5iA1 VAL 284 HG23 0.01 0.09 0.07 -0.04 0.95 1.08 2g5iA1 GLU 285 H 0.05 0.44 -0.19 -0.55 8.60 8.35 2g5iA1 GLU 285 HA 0.05 -0.04 0.45 -0.75 4.29 4.00 2g5iA1 GLU 285 HB2 0.03 0.13 0.26 -0.04 2.09 2.48 2g5iA1 GLU 285 HB3 0.03 -0.07 0.08 -0.04 1.99 1.99 2g5iA1 GLU 285 HG2 0.02 0.20 0.16 -0.04 2.34 2.68 2g5iA1 GLU 285 HG3 0.02 -0.07 0.06 -0.04 2.34 2.31 2g5iA1 THR 286 H 0.09 0.71 0.05 -0.55 8.28 8.59 2g5iA1 THR 286 HA 0.04 -0.06 0.24 -0.75 4.39 3.86 2g5iA1 THR 286 HB 0.29 0.07 0.02 -0.04 4.32 4.65 2g5iA1 THR 286 HG23 -0.18 -0.01 -0.01 -0.04 1.22 0.97 2g5iA1 LEU 287 H 0.13 0.38 -1.22 -0.55 8.37 7.11 2g5iA1 LEU 287 HA 0.15 -0.06 0.64 -0.75 4.35 4.33 2g5iA1 LEU 287 HB2 0.14 0.21 0.20 -0.04 1.64 2.15 2g5iA1 LEU 287 HB3 0.12 -0.08 -0.06 -0.04 1.64 1.57 2g5iA1 LEU 287 HG 0.20 -0.08 -0.04 -0.04 1.64 1.67 2g5iA1 LEU 287 HD13 0.29 -0.04 -0.29 -0.04 0.93 0.85 2g5iA1 LEU 287 HD23 0.20 -0.03 -0.15 -0.04 0.89 0.87 2g5iA1 LYS 288 H 0.07 0.42 0.39 -0.55 8.42 8.74 2g5iA1 LYS 288 HA 0.06 0.23 0.36 -0.75 4.32 4.21 2g5iA1 LYS 288 HB2 0.04 -0.07 0.16 -0.04 1.87 1.96 2g5iA1 LYS 288 HB3 0.04 -0.05 0.03 -0.04 1.79 1.76 2g5iA1 LYS 288 HG2 0.05 -0.03 0.10 -0.04 1.46 1.53 2g5iA1 LYS 288 HG3 0.05 0.05 0.02 -0.04 1.46 1.54 2g5iA1 LYS 288 HD2 0.03 -0.04 0.01 -0.04 1.69 1.65 2g5iA1 LYS 288 HD3 0.03 -0.03 0.03 -0.04 1.68 1.67 2g5iA1 LYS 288 HE2 0.03 0.04 0.07 -0.04 2.99 3.09 2g5iA1 LYS 288 HE3 0.03 -0.01 -0.03 -0.04 2.99 2.95 2g5iA1 SER 289 H 0.05 1.03 -0.03 -0.55 8.46 8.97 2g5iA1 SER 289 HA 0.03 -0.07 0.43 -0.75 4.49 4.12 2g5iA1 SER 289 HB2 0.02 -0.11 0.02 -0.04 3.95 3.84 2g5iA1 SER 289 HB3 0.03 0.03 -0.10 -0.04 3.93 3.86 2g5iA1 LEU 290 H 0.05 0.18 -0.72 -0.55 8.37 7.34 2g5iA1 LEU 290 HA 0.04 -0.01 0.51 -0.75 4.35 4.13 2g5iA1 LEU 290 HB2 0.07 0.32 0.16 -0.04 1.64 2.15 2g5iA1 LEU 290 HB3 0.05 -0.37 0.21 -0.04 1.64 1.49 2g5iA1 LEU 290 HG 0.04 0.09 0.00 -0.04 1.64 1.72 2g5iA1 LEU 290 HD13 0.07 -0.00 -0.01 -0.04 0.93 0.95 2g5iA1 LEU 290 HD23 0.03 -0.03 0.01 -0.04 0.89 0.87 2g5iA1 GLY 291 H 0.04 -0.10 0.11 -0.55 8.43 7.93 2g5iA1 GLY 291 HA2 0.03 0.23 0.47 -0.51 4.01 4.23 2g5iA1 GLY 291 HA3 0.03 -0.24 0.35 -0.51 4.01 3.65 2g5iA1 ALA 292 H 0.05 0.00 -0.19 -0.55 8.40 7.72 2g5iA1 ALA 292 HA 0.05 -0.04 0.36 -0.75 4.34 3.96 2g5iA1 ALA 292 HB3 0.07 0.02 -0.06 -0.04 1.41 1.40 2g5iA1 VAL 293 H 0.07 0.48 0.09 -0.55 8.24 8.33 2g5iA1 VAL 293 HA 0.06 0.16 0.78 -0.75 4.13 4.37 2g5iA1 VAL 293 HB 0.06 -0.02 0.07 -0.04 2.12 2.19 2g5iA1 VAL 293 HG13 0.06 -0.01 -0.14 -0.04 0.97 0.84 2g5iA1 VAL 293 HG23 0.03 -0.02 -0.03 -0.04 0.95 0.89 2g5iA1 VAL 294 H 0.07 0.23 0.08 -0.55 8.24 8.07 2g5iA1 VAL 294 HA 0.11 0.28 1.02 -0.75 4.13 4.79 2g5iA1 VAL 294 HB 0.05 -0.02 0.10 -0.04 2.12 2.21 2g5iA1 VAL 294 HG13 0.05 -0.03 -0.23 -0.04 0.97 0.72 2g5iA1 VAL 294 HG23 0.08 0.05 -0.21 -0.04 0.95 0.83 2g5iA1 GLU 295 H 0.16 0.61 0.27 -0.55 8.60 9.09 2g5iA1 GLU 295 HA 0.05 0.13 0.91 -0.75 4.29 4.63 2g5iA1 GLU 295 HB2 0.34 0.04 0.05 -0.04 2.09 2.48 2g5iA1 GLU 295 HB3 0.12 0.01 0.04 -0.04 1.99 2.13 2g5iA1 GLU 295 HG2 0.08 0.00 -0.09 -0.04 2.34 2.29 2g5iA1 GLU 295 HG3 0.14 -0.04 -0.28 -0.04 2.34 2.12 2g5iA1 GLU 296 H -0.00 0.12 0.17 -0.55 8.60 8.34 2g5iA1 GLU 296 HA -0.10 0.06 0.62 -0.75 4.29 4.13 2g5iA1 GLU 296 HB2 -0.04 0.01 0.14 -0.04 2.09 2.16 2g5iA1 GLU 296 HB3 -0.03 -0.05 0.18 -0.04 1.99 2.05 2g5iA1 GLU 296 HG2 -0.08 0.04 -0.17 -0.04 2.34 2.10 2g5iA1 GLU 296 HG3 -0.09 0.21 0.20 -0.04 2.34 2.62 2g5iA1 VAL 297 H -0.20 0.16 -0.13 -0.55 8.24 7.53 2g5iA1 VAL 297 HA -0.12 0.24 0.82 -0.75 4.13 4.32 2g5iA1 VAL 297 HB -0.24 -0.09 0.17 -0.04 2.12 1.92 2g5iA1 VAL 297 HG13 -0.59 0.06 -0.14 -0.04 0.97 0.26 2g5iA1 VAL 297 HG23 -0.35 -0.03 -0.30 -0.04 0.95 0.22 2g5iA1 SER 298 H -0.19 0.32 0.15 -0.55 8.46 8.20 2g5iA1 SER 298 HA -0.20 -0.08 0.75 -0.75 4.49 4.21 2g5iA1 SER 298 HB2 -0.10 0.11 -0.14 -0.04 3.95 3.78 2g5iA1 SER 298 HB3 -0.10 0.05 0.05 -0.04 3.93 3.88 2g5iA1 LEU 299 H -0.24 0.05 0.02 -0.55 8.37 7.65 2g5iA1 LEU 299 HA -0.26 0.26 0.81 -0.75 4.35 4.41 2g5iA1 LEU 299 HB2 -0.49 -0.06 0.07 -0.04 1.64 1.12 2g5iA1 LEU 299 HB3 -0.30 -0.07 0.18 -0.04 1.64 1.41 2g5iA1 LEU 299 HG -0.76 0.00 -0.10 -0.04 1.64 0.74 2g5iA1 LEU 299 HD13 -0.43 0.01 -0.16 -0.04 0.93 0.31 2g5iA1 LEU 299 HD23 -0.71 0.02 -0.10 -0.04 0.89 0.06 2g5iA1 PRO 300 HA -0.08 0.05 0.40 -0.51 4.44 4.30 2g5iA1 PRO 300 HB2 -0.00 0.07 -0.03 -0.04 2.28 2.27 2g5iA1 PRO 300 HB3 -0.05 0.05 0.08 -0.04 2.02 2.06 2g5iA1 PRO 300 HG2 -0.03 -0.04 0.06 -0.04 2.03 1.98 2g5iA1 PRO 300 HG3 -0.04 0.12 0.03 -0.04 2.03 2.10 2g5iA1 PRO 300 HD2 -0.14 0.24 0.14 -0.04 3.68 3.88 2g5iA1 PRO 300 HD3 -0.11 0.14 -0.22 -0.04 3.65 3.43 2g5iA1 ASN 301 H -0.03 0.17 -0.22 -0.55 8.53 7.90 2g5iA1 ASN 301 HA 0.16 0.13 0.59 -0.75 4.76 4.89 2g5iA1 ASN 301 HB2 0.05 0.07 -0.09 -0.04 2.88 2.87 2g5iA1 ASN 301 HB3 0.24 0.03 -0.00 -0.04 2.79 3.01 2g5iA1 ASN 301 HD21 0.03 0.00 -0.01 -0.04 7.03 7.01 2g5iA1 ASN 301 HD22 0.02 0.15 -0.03 -0.04 7.74 7.83 2g5iA1 THR 302 H -0.07 0.50 -0.32 -0.55 8.28 7.84 2g5iA1 THR 302 HA 0.03 0.05 0.31 -0.75 4.39 4.03 2g5iA1 THR 302 HB -0.02 0.16 0.16 -0.04 4.32 4.58 2g5iA1 THR 302 HG23 0.12 0.01 -0.20 -0.04 1.22 1.11 2g5iA1 LYS 303 H -0.22 0.20 -0.36 -0.55 8.42 7.49 2g5iA1 LYS 303 HA -0.14 0.06 0.36 -0.75 4.32 3.85 2g5iA1 LYS 303 HB2 -0.27 -0.03 0.11 -0.04 1.87 1.64 2g5iA1 LYS 303 HB3 -0.28 0.01 0.11 -0.04 1.79 1.58 2g5iA1 LYS 303 HG2 -1.27 0.03 0.00 -0.04 1.46 0.18 2g5iA1 LYS 303 HG3 -1.24 -0.00 -0.32 -0.04 1.46 -0.14 2g5iA1 LYS 303 HD2 -0.36 0.02 0.04 -0.04 1.69 1.35 2g5iA1 LYS 303 HD3 -0.68 0.00 -0.01 -0.04 1.68 0.95 2g5iA1 LYS 303 HE2 -0.24 -0.01 -0.03 -0.04 2.99 2.67 2g5iA1 LYS 303 HE3 -0.22 -0.02 0.01 -0.04 2.99 2.71 2g5iA1 PHE 304 H -0.18 0.57 -0.29 -0.55 8.34 7.88 2g5iA1 PHE 304 HA 0.01 0.09 0.63 -0.75 4.62 4.59 2g5iA1 PHE 304 HB2 -0.00 0.13 0.05 -0.04 3.15 3.29 2g5iA1 PHE 304 HB3 -0.00 -0.08 0.16 -0.04 3.06 3.10 2g5iA1 PHE 304 HD2 -0.01 0.02 0.04 -0.04 7.28 7.28 2g5iA1 PHE 304 HE2 -0.02 -0.00 -0.03 -0.04 7.38 7.29 2g5iA1 PHE 304 HZ -0.02 0.00 -0.01 -0.04 7.32 7.25 2g5iA1 GLY 305 H 0.05 0.51 -0.41 -0.55 8.43 8.03 2g5iA1 GLY 305 HA2 0.11 0.03 0.28 -0.51 4.01 3.91 2g5iA1 GLY 305 HA3 0.06 0.13 0.31 -0.51 4.01 3.99 2g5iA1 ILE 306 H 0.05 0.20 -0.03 -0.55 8.25 7.93 2g5iA1 ILE 306 HA 0.15 -0.01 0.29 -0.75 4.18 3.85 2g5iA1 ILE 306 HB 0.08 0.08 0.04 -0.04 1.89 2.04 2g5iA1 ILE 306 HG12 0.03 -0.02 -0.16 -0.04 1.49 1.30 2g5iA1 ILE 306 HG13 0.02 0.04 0.06 -0.04 1.21 1.30 2g5iA1 ILE 306 HG23 0.15 -0.02 -0.20 -0.04 0.93 0.82 2g5iA1 ILE 306 HD13 0.04 0.01 -0.04 -0.04 0.88 0.85 2g5iA1 PRO 307 HA 0.06 0.00 0.35 -0.51 4.44 4.35 2g5iA1 PRO 307 HB2 0.07 0.05 -0.01 -0.04 2.28 2.36 2g5iA1 PRO 307 HB3 0.06 0.00 0.06 -0.04 2.02 2.10 2g5iA1 PRO 307 HG2 0.16 0.18 0.03 -0.04 2.03 2.36 2g5iA1 PRO 307 HG3 0.19 0.05 0.05 -0.04 2.03 2.28 2g5iA1 PRO 307 HD2 0.11 -0.04 -0.91 -0.04 3.68 2.79 2g5iA1 PRO 307 HD3 0.08 0.13 0.00 -0.04 3.65 3.82 2g5iA1 SER 308 H 0.11 0.47 -0.05 -0.55 8.46 8.45 2g5iA1 SER 308 HA 0.03 -0.03 0.43 -0.75 4.49 4.17 2g5iA1 SER 308 HB2 0.02 -0.03 -0.02 -0.04 3.95 3.87 2g5iA1 SER 308 HB3 0.02 -0.03 0.13 -0.04 3.93 4.02 2g5iA1 TYR 309 H 0.20 0.75 -0.12 -0.55 8.29 8.57 2g5iA1 TYR 309 HA -0.02 -0.02 0.31 -0.75 4.56 4.08 2g5iA1 TYR 309 HB2 0.01 -0.01 0.03 -0.04 3.06 3.05 2g5iA1 TYR 309 HB3 0.04 0.17 0.14 -0.04 2.98 3.29 2g5iA1 TYR 309 HD2 0.01 0.12 0.01 -0.04 7.15 7.25 2g5iA1 TYR 309 HE2 -0.02 -0.05 -0.20 -0.04 6.85 6.54 2g5iA1 TYR 310 H 0.25 0.91 0.00 -0.55 8.29 8.91 2g5iA1 TYR 310 HA -0.63 -0.12 0.29 -0.75 4.56 3.35 2g5iA1 TYR 310 HB2 -0.06 0.05 0.08 -0.04 3.06 3.08 2g5iA1 TYR 310 HB3 -0.09 0.17 0.11 -0.04 2.98 3.13 2g5iA1 TYR 310 HD2 -0.39 0.04 -0.22 -0.04 7.15 6.53 2g5iA1 TYR 310 HE2 -0.85 -0.02 -0.08 -0.04 6.85 5.85 2g5iA1 VAL 311 H 0.07 0.59 -0.24 -0.55 8.24 8.11 2g5iA1 VAL 311 HA 0.10 0.00 0.53 -0.75 4.13 4.01 2g5iA1 VAL 311 HB 0.05 0.08 0.20 -0.04 2.12 2.42 2g5iA1 VAL 311 HG13 0.17 0.00 -0.23 -0.04 0.97 0.87 2g5iA1 VAL 311 HG23 0.15 0.05 -0.00 -0.04 0.95 1.11 2g5iA1 ILE 312 H -0.03 0.74 0.17 -0.55 8.25 8.58 2g5iA1 ILE 312 HA 0.18 -0.04 0.35 -0.75 4.18 3.92 2g5iA1 ILE 312 HB -0.07 0.06 0.08 -0.04 1.89 1.92 2g5iA1 ILE 312 HG12 -0.17 -0.06 0.00 -0.04 1.49 1.22 2g5iA1 ILE 312 HG13 -0.06 0.19 0.00 -0.04 1.21 1.30 2g5iA1 ILE 312 HG23 0.01 -0.02 -0.08 -0.04 0.93 0.79 2g5iA1 ILE 312 HD13 -0.09 0.01 -0.13 -0.04 0.88 0.63 2g5iA1 ALA 313 H -0.32 0.89 -0.17 -0.55 8.40 8.25 2g5iA1 ALA 313 HA -0.31 -0.09 0.38 -0.75 4.34 3.57 2g5iA1 ALA 313 HB3 -0.78 -0.00 -0.06 -0.04 1.41 0.53 2g5iA1 SER 314 H -0.31 0.62 -0.07 -0.55 8.46 8.15 2g5iA1 SER 314 HA -0.08 -0.07 0.37 -0.75 4.49 3.96 2g5iA1 SER 314 HB2 -0.10 0.06 0.12 -0.04 3.95 3.99 2g5iA1 SER 314 HB3 -0.09 0.25 0.06 -0.04 3.93 4.12 2g5iA1 SER 315 H -0.05 0.77 -0.06 -0.55 8.46 8.57 2g5iA1 SER 315 HA -0.09 0.11 0.50 -0.75 4.49 4.25 2g5iA1 SER 315 HB2 -0.01 0.09 0.17 -0.04 3.95 4.16 2g5iA1 SER 315 HB3 -0.44 -0.07 0.00 -0.04 3.93 3.38 2g5iA1 GLU 316 H -0.06 0.67 -0.01 -0.55 8.60 8.65 2g5iA1 GLU 316 HA -0.08 -0.02 0.43 -0.75 4.29 3.86 2g5iA1 GLU 316 HB2 -0.07 0.17 0.27 -0.04 2.09 2.43 2g5iA1 GLU 316 HB3 -0.03 -0.18 0.13 -0.04 1.99 1.87 2g5iA1 GLU 316 HG2 0.00 -0.04 0.08 -0.04 2.34 2.34 2g5iA1 GLU 316 HG3 0.03 0.07 0.09 -0.04 2.34 2.50 2g5iA1 ALA 317 H -0.03 0.87 -0.04 -0.55 8.40 8.66 2g5iA1 ALA 317 HA 0.10 0.12 0.42 -0.75 4.34 4.24 2g5iA1 ALA 317 HB3 0.15 -0.02 0.07 -0.04 1.41 1.57 2g5iA1 SER 318 H -0.05 0.93 -0.12 -0.55 8.46 8.67 2g5iA1 SER 318 HA -0.09 -0.12 0.32 -0.75 4.49 3.84 2g5iA1 SER 318 HB2 -0.08 -0.08 0.02 -0.04 3.95 3.76 2g5iA1 SER 318 HB3 -0.07 0.14 0.18 -0.04 3.93 4.13 2g5iA1 SER 319 H -0.06 0.43 -0.51 -0.55 8.46 7.77 2g5iA1 SER 319 HA -0.06 0.07 0.83 -0.75 4.49 4.58 2g5iA1 SER 319 HB2 -0.07 -0.01 0.07 -0.04 3.95 3.90 2g5iA1 SER 319 HB3 -0.05 0.04 0.19 -0.04 3.93 4.08 2g5iA1 ASN 320 H -0.01 0.66 0.25 -0.55 8.53 8.88 2g5iA1 ASN 320 HA -0.01 -0.04 0.36 -0.75 4.76 4.32 2g5iA1 ASN 320 HB2 0.06 0.19 -0.03 -0.04 2.88 3.07 2g5iA1 ASN 320 HB3 0.08 -0.05 -0.04 -0.04 2.79 2.73 2g5iA1 ASN 320 HD21 0.03 -0.05 0.00 -0.04 7.03 6.97 2g5iA1 ASN 320 HD22 0.02 0.04 0.03 -0.04 7.74 7.78 2g5iA1 LEU 321 H -0.04 0.47 -0.70 -0.55 8.37 7.56 2g5iA1 LEU 321 HA 0.13 0.15 0.94 -0.75 4.35 4.81 2g5iA1 LEU 321 HB2 -0.17 0.16 -0.10 -0.04 1.64 1.49 2g5iA1 LEU 321 HB3 -0.24 -0.04 -0.02 -0.04 1.64 1.29 2g5iA1 LEU 321 HG -0.54 -0.06 0.01 -0.04 1.64 1.02 2g5iA1 LEU 321 HD13 0.01 0.05 -0.22 -0.04 0.93 0.73 2g5iA1 LEU 321 HD23 -0.72 -0.02 -0.04 -0.04 0.89 0.06 2g5iA1 SER 322 H -0.03 0.55 0.00 -0.55 8.46 8.43 2g5iA1 SER 322 HA 0.04 0.06 0.42 -0.75 4.49 4.26 2g5iA1 SER 322 HB2 -0.05 -0.01 0.09 -0.04 3.95 3.94 2g5iA1 SER 322 HB3 -0.05 -0.08 0.11 -0.04 3.93 3.87 2g5iA1 ARG 323 H -0.13 0.16 -0.44 -0.55 8.46 7.50 2g5iA1 ARG 323 HA -0.08 0.04 0.28 -0.75 4.34 3.82 2g5iA1 ARG 323 HB2 -0.14 -0.06 0.05 -0.04 1.90 1.71 2g5iA1 ARG 323 HB3 -0.13 -0.01 0.02 -0.04 1.80 1.65 2g5iA1 ARG 323 HG2 -0.35 0.17 -0.10 -0.04 1.67 1.35 2g5iA1 ARG 323 HG3 -1.02 -0.01 -0.22 -0.04 1.67 0.39 2g5iA1 ARG 323 HD2 -0.25 -0.01 -0.02 -0.04 3.22 2.89 2g5iA1 ARG 323 HD3 -0.15 -0.06 -0.05 -0.04 3.22 2.91 2g5iA1 PHE 324 H 0.02 0.45 -0.57 -0.55 8.34 7.68 2g5iA1 PHE 324 HA -0.05 -0.02 0.71 -0.75 4.62 4.51 2g5iA1 PHE 324 HB2 0.29 0.15 0.18 -0.04 3.15 3.72 2g5iA1 PHE 324 HB3 0.05 -0.05 0.04 -0.04 3.06 3.05 2g5iA1 PHE 324 HD2 0.21 0.12 0.05 -0.04 7.28 7.62 2g5iA1 PHE 324 HE2 0.12 0.02 -0.05 -0.04 7.38 7.44 2g5iA1 PHE 324 HZ 0.27 -0.05 -0.07 -0.04 7.32 7.43 2g5iA1 ASP 325 H -0.07 0.00 0.27 -0.55 8.40 8.05 2g5iA1 ASP 325 HA 0.06 0.17 0.67 -0.75 4.63 4.78 2g5iA1 ASP 325 HB2 -0.06 -0.04 0.15 -0.04 2.71 2.72 2g5iA1 ASP 325 HB3 0.36 0.15 -0.06 -0.04 2.70 3.12 2g5iA1 GLY 326 H -0.06 0.05 0.19 -0.55 8.43 8.07 2g5iA1 GLY 326 HA2 -0.04 0.19 0.08 -0.51 4.01 3.72 2g5iA1 GLY 326 HA3 -0.03 0.28 0.22 -0.51 4.01 3.97 2g5iA1 ILE 327 H -0.14 -0.02 -0.45 -0.55 8.25 7.09 2g5iA1 ILE 327 HA -0.02 0.20 0.60 -0.75 4.18 4.21 2g5iA1 ILE 327 HB -0.08 -0.05 0.00 -0.04 1.89 1.72 2g5iA1 ILE 327 HG12 -0.14 0.03 -0.04 -0.04 1.49 1.30 2g5iA1 ILE 327 HG13 -0.20 0.12 -0.08 -0.04 1.21 1.01 2g5iA1 ILE 327 HG23 -0.04 -0.00 -0.06 -0.04 0.93 0.78 2g5iA1 ILE 327 HD13 -0.20 -0.02 -0.03 -0.04 0.88 0.60 2g5iA1 ARG 328 H -0.25 -0.04 -0.00 -0.55 8.46 7.62 2g5iA1 ARG 328 HA 0.02 0.25 0.88 -0.75 4.34 4.74 2g5iA1 ARG 328 HB2 -0.08 -0.00 0.02 -0.04 1.90 1.80 2g5iA1 ARG 328 HB3 0.17 0.01 0.06 -0.04 1.80 1.99 2g5iA1 ARG 328 HG2 0.02 0.06 -0.09 -0.04 1.67 1.62 2g5iA1 ARG 328 HG3 -0.04 -0.10 -0.20 -0.04 1.67 1.28 2g5iA1 ARG 328 HD2 0.08 -0.00 -0.02 -0.04 3.22 3.23 2g5iA1 ARG 328 HD3 0.02 -0.00 -0.04 -0.04 3.22 3.16 2g5iA1 TYR 329 H -0.29 0.02 -0.08 -0.55 8.29 7.39 2g5iA1 TYR 329 HA 0.15 0.14 0.37 -0.75 4.56 4.46 2g5iA1 TYR 329 HB2 0.30 -0.03 0.00 -0.04 3.06 3.30 2g5iA1 TYR 329 HB3 0.25 0.23 -0.11 -0.04 2.98 3.31 2g5iA1 TYR 329 HD2 0.02 0.08 -0.39 -0.04 7.15 6.83 2g5iA1 TYR 329 HE2 0.16 0.01 -0.09 -0.04 6.85 6.88 2g5iA1 GLY 330 H 0.34 0.14 0.08 -0.55 8.43 8.44 2g5iA1 GLY 330 HA2 0.24 0.05 0.36 -0.51 4.01 4.16 2g5iA1 GLY 330 HA3 0.21 0.13 0.89 -0.51 4.01 4.72 2g5iA1 TYR 331 H 0.16 0.24 0.25 -0.55 8.29 8.39 2g5iA1 TYR 331 HA 0.03 0.09 0.54 -0.75 4.56 4.47 2g5iA1 TYR 331 HB2 -0.06 0.06 -0.04 -0.04 3.06 2.98 2g5iA1 TYR 331 HB3 -0.12 -0.02 0.11 -0.04 2.98 2.91 2g5iA1 TYR 331 HD2 -0.08 0.07 -0.09 -0.04 7.15 7.01 2g5iA1 TYR 331 HE2 -0.05 -0.03 -0.12 -0.04 6.85 6.61 2g5iA1 HIS 332 H -0.43 0.20 0.13 -0.55 8.41 7.77 2g5iA1 HIS 332 HA -0.26 0.18 0.93 -0.75 4.63 4.73 2g5iA1 HIS 332 HB2 -0.15 0.16 -0.05 -0.04 3.26 3.18 2g5iA1 HIS 332 HB3 -0.21 -0.07 0.10 -0.04 3.20 2.97 2g5iA1 HIS 332 HD2 -0.14 0.25 -0.08 -0.04 6.97 6.96 2g5iA1 HIS 332 HE1 -0.11 -0.03 -0.04 -0.04 7.75 7.53 2g5iA1 SER 333 H -0.49 0.20 0.04 -0.55 8.46 7.67 2g5iA1 SER 333 HA -0.28 0.03 0.39 -0.75 4.49 3.88 2g5iA1 SER 333 HB2 -0.04 0.07 -0.29 -0.04 3.95 3.65 2g5iA1 SER 333 HB3 -0.22 0.01 -0.05 -0.04 3.93 3.63 2g5iA1 LYS 334 H -0.11 0.13 0.19 -0.55 8.42 8.08 2g5iA1 LYS 334 HA -0.02 0.16 0.44 -0.75 4.32 4.15 2g5iA1 LYS 334 HB2 -0.04 0.09 0.15 -0.04 1.87 2.04 2g5iA1 LYS 334 HB3 -0.03 -0.07 0.13 -0.04 1.79 1.78 2g5iA1 LYS 334 HG2 -0.03 -0.03 -0.12 -0.04 1.46 1.25 2g5iA1 LYS 334 HG3 -0.01 0.04 0.05 -0.04 1.46 1.50 2g5iA1 LYS 334 HD2 -0.00 0.04 0.02 -0.04 1.69 1.70 2g5iA1 LYS 334 HD3 -0.00 -0.02 0.01 -0.04 1.68 1.62 2g5iA1 LYS 334 HE2 -0.00 0.01 -0.01 -0.04 2.99 2.95 2g5iA1 LYS 334 HE3 0.00 0.01 -0.00 -0.04 2.99 2.96 2g5iA1 GLU 335 H -0.07 0.09 -0.05 -0.55 8.60 8.02 2g5iA1 GLU 335 HA -0.16 0.11 0.30 -0.75 4.29 3.79 2g5iA1 GLU 335 HB2 -0.06 -0.01 0.06 -0.04 2.09 2.04 2g5iA1 GLU 335 HB3 -0.06 0.02 0.13 -0.04 1.99 2.05 2g5iA1 GLU 335 HG2 -0.01 0.04 0.03 -0.04 2.34 2.36 2g5iA1 GLU 335 HG3 -0.03 0.01 0.02 -0.04 2.34 2.31 2g5iA1 ALA 336 H -0.19 1.12 -0.91 -0.55 8.40 7.88 2g5iA1 ALA 336 HA -0.18 -0.12 0.18 -0.75 4.34 3.47 2g5iA1 ALA 336 HB3 -0.09 0.08 0.14 -0.04 1.41 1.49 2g5iA1 HIS 337 H -0.10 0.09 0.25 -0.55 8.41 8.10 2g5iA1 HIS 337 HA -0.01 0.44 1.34 -0.75 4.63 5.65 2g5iA1 HIS 337 HB2 -0.00 -0.08 0.14 -0.04 3.26 3.28 2g5iA1 HIS 337 HB3 -0.00 -0.01 0.05 -0.04 3.20 3.20 2g5iA1 HIS 337 HD2 -0.00 -0.01 -0.01 -0.04 6.97 6.90 2g5iA1 HIS 337 HE1 0.00 0.00 -0.09 -0.04 7.75 7.62 2g5iA1 SER 338 H 0.05 -0.05 0.11 -0.55 8.46 8.03 2g5iA1 SER 338 HA 0.04 0.32 0.82 -0.75 4.49 4.92 2g5iA1 SER 338 HB2 0.03 -0.08 0.22 -0.04 3.95 4.09 2g5iA1 SER 338 HB3 0.05 0.12 0.07 -0.04 3.93 4.12 2g5iA1 LEU 339 H 0.03 0.12 0.19 -0.55 8.37 8.17 2g5iA1 LEU 339 HA -0.03 0.25 0.65 -0.75 4.35 4.46 2g5iA1 LEU 339 HB2 0.03 0.07 0.09 -0.04 1.64 1.79 2g5iA1 LEU 339 HB3 0.06 -0.06 0.14 -0.04 1.64 1.75 2g5iA1 LEU 339 HG 0.07 0.03 0.01 -0.04 1.64 1.71 2g5iA1 LEU 339 HD13 0.31 -0.01 -0.17 -0.04 0.93 1.01 2g5iA1 LEU 339 HD23 -0.05 0.02 0.03 -0.04 0.89 0.85 2g5iA1 GLU 340 H 0.06 0.06 0.11 -0.55 8.60 8.28 2g5iA1 GLU 340 HA 0.15 0.14 0.38 -0.75 4.29 4.21 2g5iA1 GLU 340 HB2 0.05 0.05 0.15 -0.04 2.09 2.30 2g5iA1 GLU 340 HB3 0.04 -0.07 0.12 -0.04 1.99 2.04 2g5iA1 GLU 340 HG2 0.04 -0.01 -0.15 -0.04 2.34 2.18 2g5iA1 GLU 340 HG3 0.04 0.04 0.06 -0.04 2.34 2.44 2g5iA1 GLU 341 H 0.03 0.00 -0.30 -0.55 8.60 7.79 2g5iA1 GLU 341 HA 0.02 0.05 0.29 -0.75 4.29 3.88 2g5iA1 GLU 341 HB2 -0.01 -0.09 -0.01 -0.04 2.09 1.94 2g5iA1 GLU 341 HB3 -0.04 0.11 -0.15 -0.04 1.99 1.88 2g5iA1 GLU 341 HG2 0.02 0.06 0.01 -0.04 2.34 2.38 2g5iA1 GLU 341 HG3 0.03 -0.05 0.04 -0.04 2.34 2.31 2g5iA1 LEU 342 H -0.07 0.24 -0.42 -0.55 8.37 7.57 2g5iA1 LEU 342 HA -0.22 0.00 0.30 -0.75 4.35 3.68 2g5iA1 LEU 342 HB2 -0.16 0.06 0.11 -0.04 1.64 1.61 2g5iA1 LEU 342 HB3 -0.25 0.16 0.16 -0.04 1.64 1.66 2g5iA1 LEU 342 HG -0.45 0.06 -0.21 -0.04 1.64 1.00 2g5iA1 LEU 342 HD13 -0.43 -0.01 0.06 -0.04 0.93 0.51 2g5iA1 LEU 342 HD23 -0.16 -0.01 -0.01 -0.04 0.89 0.66 2g5iA1 TYR 343 H 0.01 0.37 -0.35 -0.55 8.29 7.77 2g5iA1 TYR 343 HA -0.04 0.11 0.61 -0.75 4.56 4.48 2g5iA1 TYR 343 HB2 -0.02 0.08 0.26 -0.04 3.06 3.34 2g5iA1 TYR 343 HB3 -0.02 -0.01 0.05 -0.04 2.98 2.95 2g5iA1 TYR 343 HD2 -0.02 0.01 0.02 -0.04 7.15 7.11 2g5iA1 TYR 343 HE2 -0.03 -0.02 -0.03 -0.04 6.85 6.73 2g5iA1 LYS 344 H 0.12 0.58 0.19 -0.55 8.42 8.75 2g5iA1 LYS 344 HA 0.06 0.02 0.39 -0.75 4.32 4.03 2g5iA1 LYS 344 HB2 0.04 -0.05 0.07 -0.04 1.87 1.89 2g5iA1 LYS 344 HB3 0.04 -0.02 0.00 -0.04 1.79 1.77 2g5iA1 LYS 344 HG2 0.04 0.01 0.06 -0.04 1.46 1.52 2g5iA1 LYS 344 HG3 0.06 0.05 0.02 -0.04 1.46 1.55 2g5iA1 LYS 344 HD2 0.03 -0.05 -0.05 -0.04 1.69 1.58 2g5iA1 LYS 344 HD3 0.03 0.02 -0.01 -0.04 1.68 1.68 2g5iA1 LYS 344 HE2 0.01 0.03 0.01 -0.04 2.99 3.00 2g5iA1 LYS 344 HE3 0.02 -0.05 -0.00 -0.04 2.99 2.92 2g5iA1 MET 345 H -0.00 0.93 -0.10 -0.55 8.47 8.74 2g5iA1 MET 345 HA 0.01 0.08 0.59 -0.75 4.52 4.44 2g5iA1 MET 345 HB2 -0.05 0.16 -0.06 -0.04 2.15 2.16 2g5iA1 MET 345 HB3 -0.01 -0.06 -0.15 -0.04 2.03 1.77 2g5iA1 MET 345 HG2 0.00 0.02 -0.05 -0.04 2.63 2.56 2g5iA1 MET 345 HG3 0.00 -0.06 -0.08 -0.04 2.56 2.38 2g5iA1 MET 345 HE3 0.01 -0.01 -0.03 -0.04 2.10 2.03 2g5iA1 SER 346 H -0.06 0.50 -0.11 -0.55 8.46 8.24 2g5iA1 SER 346 HA 0.15 -0.06 0.34 -0.75 4.49 4.16 2g5iA1 SER 346 HB2 -0.09 0.32 0.27 -0.04 3.95 4.40 2g5iA1 SER 346 HB3 -0.04 0.01 -0.10 -0.04 3.93 3.76 2g5iA1 ARG 347 H -0.02 0.55 -0.17 -0.55 8.46 8.26 2g5iA1 ARG 347 HA -0.49 0.02 0.48 -0.75 4.34 3.60 2g5iA1 ARG 347 HB2 0.05 0.06 0.13 -0.04 1.90 2.10 2g5iA1 ARG 347 HB3 0.13 -0.07 0.01 -0.04 1.80 1.84 2g5iA1 ARG 347 HG2 0.08 0.11 0.11 -0.04 1.67 1.92 2g5iA1 ARG 347 HG3 0.02 -0.05 0.14 -0.04 1.67 1.74 2g5iA1 ARG 347 HD2 0.17 0.02 0.11 -0.04 3.22 3.48 2g5iA1 ARG 347 HD3 0.11 -0.04 -0.08 -0.04 3.22 3.18 2g5iA1 SER 348 H -0.00 0.52 -0.03 -0.55 8.46 8.41 2g5iA1 SER 348 HA 0.05 0.01 0.41 -0.75 4.49 4.21 2g5iA1 SER 348 HB2 0.02 0.12 0.19 -0.04 3.95 4.23 2g5iA1 SER 348 HB3 0.02 -0.06 0.05 -0.04 3.93 3.90 2g5iA1 GLU 349 H -0.09 0.32 -0.65 -0.55 8.60 7.64 2g5iA1 GLU 349 HA -0.16 0.08 0.68 -0.75 4.29 4.14 2g5iA1 GLU 349 HB2 0.04 0.48 0.13 -0.04 2.09 2.70 2g5iA1 GLU 349 HB3 -0.47 -0.06 -0.09 -0.04 1.99 1.33 2g5iA1 GLU 349 HG2 -0.07 -0.04 0.02 -0.04 2.34 2.20 2g5iA1 GLU 349 HG3 -0.04 -0.01 -0.03 -0.04 2.34 2.22 2g5iA1 GLY 350 H -0.33 0.31 -0.13 -0.55 8.43 7.74 2g5iA1 GLY 350 HA2 -0.57 0.03 0.63 -0.51 4.01 3.59 2g5iA1 GLY 350 HA3 -0.45 0.01 0.33 -0.51 4.01 3.39 2g5iA1 PHE 351 H -0.23 0.67 0.11 -0.55 8.34 8.34 2g5iA1 PHE 351 HA -0.07 -0.00 0.79 -0.75 4.62 4.59 2g5iA1 PHE 351 HB2 -0.05 0.09 0.02 -0.04 3.15 3.17 2g5iA1 PHE 351 HB3 -0.06 -0.08 -0.04 -0.04 3.06 2.84 2g5iA1 PHE 351 HD2 -0.05 -0.04 -0.07 -0.04 7.28 7.08 2g5iA1 PHE 351 HE2 -0.33 0.01 -0.03 -0.04 7.38 7.00 2g5iA1 PHE 351 HZ 0.03 0.13 0.05 -0.04 7.32 7.49 2g5iA1 GLY 352 H 0.12 0.04 0.19 -0.55 8.43 8.22 2g5iA1 GLY 352 HA2 0.01 0.25 0.59 -0.51 4.01 4.34 2g5iA1 GLY 352 HA3 0.03 -0.00 0.38 -0.51 4.01 3.90 2g5iA1 LYS 353 H 0.02 0.20 0.16 -0.55 8.42 8.25 2g5iA1 LYS 353 HA 0.03 0.14 0.34 -0.75 4.32 4.08 2g5iA1 LYS 353 HB2 0.02 -0.07 0.18 -0.04 1.87 1.96 2g5iA1 LYS 353 HB3 0.01 0.02 0.02 -0.04 1.79 1.80 2g5iA1 LYS 353 HG2 0.00 0.05 0.06 -0.04 1.46 1.54 2g5iA1 LYS 353 HG3 0.01 0.03 0.12 -0.04 1.46 1.58 2g5iA1 LYS 353 HD2 0.00 -0.01 0.04 -0.04 1.69 1.68 2g5iA1 LYS 353 HD3 -0.00 -0.01 0.02 -0.04 1.68 1.65 2g5iA1 LYS 353 HE2 -0.00 0.02 0.02 -0.04 2.99 2.98 2g5iA1 LYS 353 HE3 0.00 0.03 0.03 -0.04 2.99 3.02 2g5iA1 GLU 354 H 0.03 0.12 -0.05 -0.55 8.60 8.15 2g5iA1 GLU 354 HA 0.06 0.04 0.34 -0.75 4.29 3.98 2g5iA1 GLU 354 HB2 0.04 0.03 0.09 -0.04 2.09 2.20 2g5iA1 GLU 354 HB3 0.03 -0.02 0.09 -0.04 1.99 2.05 2g5iA1 GLU 354 HG2 0.06 0.01 -0.15 -0.04 2.34 2.22 2g5iA1 GLU 354 HG3 0.04 0.05 -0.33 -0.04 2.34 2.06 2g5iA1 VAL 355 H 0.00 0.07 -0.19 -0.55 8.24 7.58 2g5iA1 VAL 355 HA -0.11 0.01 0.34 -0.75 4.13 3.62 2g5iA1 VAL 355 HB -0.06 0.04 0.09 -0.04 2.12 2.15 2g5iA1 VAL 355 HG13 -0.60 0.01 -0.07 -0.04 0.97 0.27 2g5iA1 VAL 355 HG23 0.02 -0.03 0.10 -0.04 0.95 1.00 2g5iA1 LYS 356 H 0.02 0.57 -0.30 -0.55 8.42 8.15 2g5iA1 LYS 356 HA 0.01 0.05 0.49 -0.75 4.32 4.11 2g5iA1 LYS 356 HB2 0.10 0.10 0.04 -0.04 1.87 2.07 2g5iA1 LYS 356 HB3 0.24 -0.06 0.00 -0.04 1.79 1.93 2g5iA1 LYS 356 HG2 0.18 -0.05 -0.11 -0.04 1.46 1.44 2g5iA1 LYS 356 HG3 0.14 0.13 -0.26 -0.04 1.46 1.43 2g5iA1 LYS 356 HD2 0.18 -0.08 -0.06 -0.04 1.69 1.69 2g5iA1 LYS 356 HD3 0.19 0.07 -0.08 -0.04 1.68 1.81 2g5iA1 LYS 356 HE2 0.08 0.10 -0.34 -0.04 2.99 2.79 2g5iA1 LYS 356 HE3 0.08 -0.11 -0.12 -0.04 2.99 2.80 2g5iA1 ARG 357 H 0.06 0.52 -0.06 -0.55 8.46 8.43 2g5iA1 ARG 357 HA 0.08 0.03 0.47 -0.75 4.34 4.16 2g5iA1 ARG 357 HB2 0.12 0.06 0.16 -0.04 1.90 2.20 2g5iA1 ARG 357 HB3 0.10 -0.07 0.02 -0.04 1.80 1.81 2g5iA1 ARG 357 HG2 0.01 0.03 -0.01 -0.04 1.67 1.66 2g5iA1 ARG 357 HG3 0.05 -0.05 -0.14 -0.04 1.67 1.49 2g5iA1 ARG 357 HD2 0.08 -0.04 -0.02 -0.04 3.22 3.19 2g5iA1 ARG 357 HD3 -0.01 0.01 -0.01 -0.04 3.22 3.17 2g5iA1 ARG 358 H 0.05 0.52 -0.06 -0.55 8.46 8.42 2g5iA1 ARG 358 HA 0.01 -0.01 0.35 -0.75 4.34 3.94 2g5iA1 ARG 358 HB2 -0.07 0.26 0.13 -0.04 1.90 2.17 2g5iA1 ARG 358 HB3 -0.06 -0.02 -0.02 -0.04 1.80 1.65 2g5iA1 ARG 358 HG2 0.04 0.09 0.03 -0.04 1.67 1.79 2g5iA1 ARG 358 HG3 -0.05 -0.03 -0.06 -0.04 1.67 1.48 2g5iA1 ARG 358 HD2 -0.16 0.02 -0.05 -0.04 3.22 2.98 2g5iA1 ARG 358 HD3 -0.29 -0.01 -0.01 -0.04 3.22 2.87 2g5iA1 ILE 359 H -0.03 0.39 -0.25 -0.55 8.25 7.81 2g5iA1 ILE 359 HA -0.07 0.07 0.43 -0.75 4.18 3.85 2g5iA1 ILE 359 HB -0.08 0.09 0.03 -0.04 1.89 1.90 2g5iA1 ILE 359 HG12 -0.21 -0.04 -0.05 -0.04 1.49 1.15 2g5iA1 ILE 359 HG13 -0.15 0.25 0.20 -0.04 1.21 1.47 2g5iA1 ILE 359 HG23 -0.14 -0.00 -0.00 -0.04 0.93 0.74 2g5iA1 ILE 359 HD13 -0.38 -0.03 -0.08 -0.04 0.88 0.35 2g5iA1 PHE 360 H 0.23 0.47 -0.27 -0.55 8.34 8.21 2g5iA1 PHE 360 HA 0.01 0.04 0.53 -0.75 4.62 4.44 2g5iA1 PHE 360 HB2 -0.00 0.19 0.33 -0.04 3.15 3.63 2g5iA1 PHE 360 HB3 -0.01 -0.06 0.08 -0.04 3.06 3.03 2g5iA1 PHE 360 HD2 0.01 0.22 0.05 -0.04 7.28 7.51 2g5iA1 PHE 360 HE2 0.02 -0.01 -0.01 -0.04 7.38 7.33 2g5iA1 PHE 360 HZ 0.01 -0.02 -0.01 -0.04 7.32 7.27 2g5iA1 LEU 361 H 0.18 0.66 0.05 -0.55 8.37 8.72 2g5iA1 LEU 361 HA 0.07 -0.02 0.31 -0.75 4.35 3.95 2g5iA1 LEU 361 HB2 0.11 -0.03 0.08 -0.04 1.64 1.77 2g5iA1 LEU 361 HB3 0.15 0.14 0.07 -0.04 1.64 1.96 2g5iA1 LEU 361 HG 0.24 -0.04 -0.04 -0.04 1.64 1.77 2g5iA1 LEU 361 HD13 0.22 0.00 -0.22 -0.04 0.93 0.90 2g5iA1 LEU 361 HD23 -0.01 -0.03 0.08 -0.04 0.89 0.89 2g5iA1 GLY 362 H 0.04 0.32 -0.61 -0.55 8.43 7.63 2g5iA1 GLY 362 HA2 0.00 -0.04 0.29 -0.51 4.01 3.76 2g5iA1 GLY 362 HA3 -0.03 0.27 -0.05 -0.51 4.01 3.69 2g5iA1 THR 363 H -0.01 0.75 -0.00 -0.55 8.28 8.47 2g5iA1 THR 363 HA -0.06 0.04 0.54 -0.75 4.39 4.15 2g5iA1 THR 363 HB -0.10 0.12 0.22 -0.04 4.32 4.52 2g5iA1 THR 363 HG23 -0.07 -0.04 -0.04 -0.04 1.22 1.03 2g5iA1 PHE 364 H 0.15 0.50 -0.21 -0.55 8.34 8.23 2g5iA1 PHE 364 HA -0.04 0.06 0.53 -0.75 4.62 4.42 2g5iA1 PHE 364 HB2 -0.07 -0.00 0.02 -0.04 3.15 3.05 2g5iA1 PHE 364 HB3 -0.11 0.04 0.09 -0.04 3.06 3.05 2g5iA1 PHE 364 HD2 -0.32 0.03 -0.17 -0.04 7.28 6.77 2g5iA1 PHE 364 HE2 -1.29 -0.01 -0.08 -0.04 7.38 5.96 2g5iA1 PHE 364 HZ -1.47 -0.01 -0.07 -0.04 7.32 5.73 2g5iA1 ALA 365 H 0.18 0.47 -0.14 -0.55 8.40 8.36 2g5iA1 ALA 365 HA 0.01 0.03 0.28 -0.75 4.34 3.90 2g5iA1 ALA 365 HB3 0.16 0.01 0.10 -0.04 1.41 1.63 2g5iA1 LEU 366 H -0.05 0.23 -0.62 -0.55 8.37 7.38 2g5iA1 LEU 366 HA -0.06 0.01 0.71 -0.75 4.35 4.25 2g5iA1 LEU 366 HB2 -0.08 0.11 0.05 -0.04 1.64 1.68 2g5iA1 LEU 366 HB3 -0.04 -0.07 0.04 -0.04 1.64 1.52 2g5iA1 LEU 366 HG -0.24 0.03 -0.00 -0.04 1.64 1.39 2g5iA1 LEU 366 HD13 -0.19 0.01 -0.04 -0.04 0.93 0.67 2g5iA1 LEU 366 HD23 -0.72 -0.03 -0.02 -0.04 0.89 0.07 2g5iA1 SER 367 H -0.08 0.30 -0.27 -0.55 8.46 7.86 2g5iA1 SER 367 HA -0.03 -0.04 0.44 -0.75 4.49 4.11 2g5iA1 SER 367 HB2 -0.04 -0.07 0.09 -0.04 3.95 3.89 2g5iA1 SER 367 HB3 -0.07 0.21 0.25 -0.04 3.93 4.29 2g5iA1 SER 368 H -0.03 0.11 0.21 -0.55 8.46 8.20 2g5iA1 SER 368 HA -0.03 -0.03 0.44 -0.75 4.49 4.10 2g5iA1 SER 368 HB2 -0.05 0.03 0.21 -0.04 3.95 4.10 2g5iA1 SER 368 HB3 -0.07 0.02 0.13 -0.04 3.93 3.97 2g5iA1 GLY 369 H -0.06 0.08 0.17 -0.55 8.43 8.07 2g5iA1 GLY 369 HA2 -0.15 -0.00 0.41 -0.51 4.01 3.76 2g5iA1 GLY 369 HA3 -0.37 0.23 0.78 -0.51 4.01 4.14 2g5iA1 TYR 370 H -0.13 0.63 -0.34 -0.55 8.29 7.90 2g5iA1 TYR 370 HA 0.08 0.11 0.83 -0.75 4.56 4.83 2g5iA1 TYR 370 HB2 -0.60 0.33 -0.03 -0.04 3.06 2.73 2g5iA1 TYR 370 HB3 -0.44 -0.09 0.01 -0.04 2.98 2.42 2g5iA1 TYR 370 HD2 -0.28 0.05 -0.07 -0.04 7.15 6.81 2g5iA1 TYR 370 HE2 0.02 -0.01 -0.05 -0.04 6.85 6.77 2g5iA1 TYR 371 H 0.17 0.13 -0.10 -0.55 8.29 7.94 2g5iA1 TYR 371 HA 0.12 0.48 0.52 -0.75 4.56 4.92 2g5iA1 TYR 371 HB2 0.01 0.27 -0.01 -0.04 3.06 3.29 2g5iA1 TYR 371 HB3 0.03 -0.18 0.11 -0.04 2.98 2.90 2g5iA1 TYR 371 HD2 0.04 0.12 -0.11 -0.04 7.15 7.15 2g5iA1 TYR 371 HE2 0.06 0.02 -0.01 -0.04 6.85 6.87 2g5iA1 ASP 372 H 0.30 0.11 -0.12 -0.55 8.40 8.15 2g5iA1 ASP 372 HA 0.25 -0.03 0.35 -0.75 4.63 4.45 2g5iA1 ASP 372 HB2 0.12 0.04 0.02 -0.04 2.71 2.84 2g5iA1 ASP 372 HB3 0.09 0.05 -0.03 -0.04 2.70 2.77 2g5iA1 ALA 373 H 0.20 0.15 -0.34 -0.55 8.40 7.86 2g5iA1 ALA 373 HA 0.00 0.07 0.50 -0.75 4.34 4.16 2g5iA1 ALA 373 HB3 0.18 0.02 0.07 -0.04 1.41 1.64 2g5iA1 TYR 374 H 0.30 0.46 -0.21 -0.55 8.29 8.29 2g5iA1 TYR 374 HA 0.05 0.19 1.09 -0.75 4.56 5.13 2g5iA1 TYR 374 HB2 0.13 0.16 0.22 -0.04 3.06 3.53 2g5iA1 TYR 374 HB3 0.12 -0.06 0.05 -0.04 2.98 3.05 2g5iA1 TYR 374 HD2 0.16 0.05 -0.05 -0.04 7.15 7.27 2g5iA1 TYR 374 HE2 0.14 -0.03 -0.05 -0.04 6.85 6.87 2g5iA1 TYR 375 H 0.16 0.43 0.23 -0.55 8.29 8.56 2g5iA1 TYR 375 HA -0.08 0.01 0.33 -0.75 4.56 4.06 2g5iA1 TYR 375 HB2 -0.26 0.07 -0.01 -0.04 3.06 2.82 2g5iA1 TYR 375 HB3 -0.78 -0.07 0.20 -0.04 2.98 2.29 2g5iA1 TYR 375 HD2 -0.43 -0.01 -0.06 -0.04 7.15 6.60 2g5iA1 TYR 375 HE2 -0.04 0.02 0.01 -0.04 6.85 6.79 2g5iA1 LYS 376 H -0.31 0.25 -0.02 -0.55 8.42 7.78 2g5iA1 LYS 376 HA -0.22 0.00 0.32 -0.75 4.32 3.67 2g5iA1 LYS 376 HB2 0.26 -0.04 0.03 -0.04 1.87 2.09 2g5iA1 LYS 376 HB3 0.07 0.07 0.18 -0.04 1.79 2.07 2g5iA1 LYS 376 HG2 0.08 -0.00 -0.02 -0.04 1.46 1.48 2g5iA1 LYS 376 HG3 0.00 0.01 -0.20 -0.04 1.46 1.22 2g5iA1 LYS 376 HD2 0.06 0.00 -0.02 -0.04 1.69 1.69 2g5iA1 LYS 376 HD3 0.28 -0.02 -0.00 -0.04 1.68 1.90 2g5iA1 LYS 376 HE2 0.05 0.02 -0.03 -0.04 2.99 2.98 2g5iA1 LYS 376 HE3 0.07 0.01 -0.02 -0.04 2.99 3.02 2g5iA1 LYS 377 H -0.03 0.42 -0.29 -0.55 8.42 7.96 2g5iA1 LYS 377 HA -0.07 -0.07 0.32 -0.75 4.32 3.75 2g5iA1 LYS 377 HB2 -0.06 0.11 0.05 -0.04 1.87 1.93 2g5iA1 LYS 377 HB3 -0.09 0.11 -0.29 -0.04 1.79 1.48 2g5iA1 LYS 377 HG2 -0.16 0.12 0.05 -0.04 1.46 1.43 2g5iA1 LYS 377 HG3 -0.13 -0.08 -0.22 -0.04 1.46 1.00 2g5iA1 LYS 377 HD2 -0.09 -0.08 0.07 -0.04 1.69 1.55 2g5iA1 LYS 377 HD3 -0.09 0.00 0.05 -0.04 1.68 1.60 2g5iA1 LYS 377 HE2 -0.13 0.01 0.02 -0.04 2.99 2.85 2g5iA1 LYS 377 HE3 -0.16 -0.03 -0.01 -0.04 2.99 2.75 2g5iA1 SER 378 H -0.11 0.74 -0.23 -0.55 8.46 8.31 2g5iA1 SER 378 HA -0.09 -0.10 0.46 -0.75 4.49 4.02 2g5iA1 SER 378 HB2 -0.16 0.12 0.27 -0.04 3.95 4.13 2g5iA1 SER 378 HB3 -0.07 -0.13 0.13 -0.04 3.93 3.83 2g5iA1 GLN 379 H -0.34 0.62 0.09 -0.55 8.47 8.30 2g5iA1 GLN 379 HA -0.19 -0.04 0.38 -0.75 4.36 3.76 2g5iA1 GLN 379 HB2 -0.26 0.14 0.16 -0.04 2.15 2.15 2g5iA1 GLN 379 HB3 -0.18 -0.05 0.03 -0.04 2.02 1.78 2g5iA1 GLN 379 HG2 -0.43 -0.03 0.04 -0.04 2.40 1.93 2g5iA1 GLN 379 HG3 -1.06 0.06 -0.06 -0.04 2.39 1.29 2g5iA1 GLN 379 HE21 0.06 -0.01 -0.02 -0.04 6.97 6.95 2g5iA1 GLN 379 HE22 -0.10 0.01 -0.00 -0.04 7.69 7.56 2g5iA1 LYS 380 H -0.12 0.56 -0.36 -0.55 8.42 7.95 2g5iA1 LYS 380 HA -0.06 0.00 0.48 -0.75 4.32 4.00 2g5iA1 LYS 380 HB2 -0.08 0.29 0.20 -0.04 1.87 2.24 2g5iA1 LYS 380 HB3 -0.06 -0.08 0.00 -0.04 1.79 1.61 2g5iA1 LYS 380 HG2 -0.04 -0.04 -0.00 -0.04 1.46 1.33 2g5iA1 LYS 380 HG3 -0.06 0.06 -0.08 -0.04 1.46 1.34 2g5iA1 LYS 380 HD2 -0.05 0.03 -0.02 -0.04 1.69 1.61 2g5iA1 LYS 380 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.56 2g5iA1 LYS 380 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.89 2g5iA1 LYS 380 HE3 -0.01 -0.03 -0.07 -0.04 2.99 2.84 2g5iA1 VAL 381 H -0.10 0.55 0.15 -0.55 8.24 8.28 2g5iA1 VAL 381 HA -0.10 -0.06 0.40 -0.75 4.13 3.62 2g5iA1 VAL 381 HB -0.07 0.17 0.23 -0.04 2.12 2.41 2g5iA1 VAL 381 HG13 -0.02 -0.02 -0.05 -0.04 0.97 0.84 2g5iA1 VAL 381 HG23 -0.21 0.03 0.09 -0.04 0.95 0.82 2g5iA1 ARG 382 H -0.05 0.53 -0.47 -0.55 8.46 7.91 2g5iA1 ARG 382 HA 0.02 -0.04 0.35 -0.75 4.34 3.92 2g5iA1 ARG 382 HB2 -0.04 -0.07 0.05 -0.04 1.90 1.80 2g5iA1 ARG 382 HB3 -0.05 0.33 0.16 -0.04 1.80 2.19 2g5iA1 ARG 382 HG2 -0.00 0.03 -0.14 -0.04 1.67 1.51 2g5iA1 ARG 382 HG3 0.01 -0.13 0.04 -0.04 1.67 1.54 2g5iA1 ARG 382 HD2 -0.05 -0.12 0.01 -0.04 3.22 3.02 2g5iA1 ARG 382 HD3 -0.05 -0.01 0.02 -0.04 3.22 3.14 2g5iA1 THR 383 H -0.03 0.43 -0.07 -0.55 8.28 8.06 2g5iA1 THR 383 HA 0.01 0.02 0.44 -0.75 4.39 4.10 2g5iA1 THR 383 HB -0.02 0.24 0.28 -0.04 4.32 4.78 2g5iA1 THR 383 HG23 0.00 -0.04 -0.10 -0.04 1.22 1.04 2g5iA1 LEU 384 H -0.01 0.44 -0.18 -0.55 8.37 8.08 2g5iA1 LEU 384 HA 0.01 -0.00 0.43 -0.75 4.35 4.03 2g5iA1 LEU 384 HB2 0.01 0.21 0.11 -0.04 1.64 1.92 2g5iA1 LEU 384 HB3 0.01 -0.11 0.05 -0.04 1.64 1.56 2g5iA1 LEU 384 HG -0.05 0.15 -0.02 -0.04 1.64 1.68 2g5iA1 LEU 384 HD13 -0.10 -0.02 0.00 -0.04 0.93 0.78 2g5iA1 LEU 384 HD23 -0.02 -0.02 -0.03 -0.04 0.89 0.78 2g5iA1 ILE 385 H 0.05 0.50 -0.30 -0.55 8.25 7.95 2g5iA1 ILE 385 HA 0.04 -0.09 0.46 -0.75 4.18 3.84 2g5iA1 ILE 385 HB 0.09 0.22 0.07 -0.04 1.89 2.24 2g5iA1 ILE 385 HG12 0.11 -0.12 -0.16 -0.04 1.49 1.27 2g5iA1 ILE 385 HG13 0.08 0.33 0.01 -0.04 1.21 1.59 2g5iA1 ILE 385 HG23 0.18 -0.03 -0.09 -0.04 0.93 0.95 2g5iA1 ILE 385 HD13 0.11 -0.03 -0.21 -0.04 0.88 0.72 2g5iA1 LYS 386 H 0.08 0.46 -0.19 -0.55 8.42 8.21 2g5iA1 LYS 386 HA 0.26 0.10 0.57 -0.75 4.32 4.49 2g5iA1 LYS 386 HB2 0.08 0.12 0.12 -0.04 1.87 2.14 2g5iA1 LYS 386 HB3 0.07 0.06 0.13 -0.04 1.79 2.02 2g5iA1 LYS 386 HG2 0.12 -0.12 0.04 -0.04 1.46 1.46 2g5iA1 LYS 386 HG3 0.09 0.09 0.15 -0.04 1.46 1.75 2g5iA1 LYS 386 HD2 0.03 0.06 0.05 -0.04 1.69 1.79 2g5iA1 LYS 386 HD3 0.05 -0.05 0.02 -0.04 1.68 1.66 2g5iA1 LYS 386 HE2 0.04 0.15 0.05 -0.04 2.99 3.19 2g5iA1 LYS 386 HE3 0.04 -0.04 0.02 -0.04 2.99 2.97 2g5iA1 ASN 387 H 0.06 0.36 -0.19 -0.55 8.53 8.21 2g5iA1 ASN 387 HA 0.07 0.01 0.43 -0.75 4.76 4.51 2g5iA1 ASN 387 HB2 0.02 0.15 0.16 -0.04 2.88 3.16 2g5iA1 ASN 387 HB3 0.02 -0.06 0.03 -0.04 2.79 2.74 2g5iA1 ASN 387 HD21 0.01 -0.02 -0.06 -0.04 7.03 6.92 2g5iA1 ASN 387 HD22 0.01 -0.05 0.01 -0.04 7.74 7.67 2g5iA1 ASP 388 H -0.01 0.41 -0.18 -0.55 8.40 8.08 2g5iA1 ASP 388 HA -0.11 -0.01 0.40 -0.75 4.63 4.15 2g5iA1 ASP 388 HB2 -0.18 0.22 0.10 -0.04 2.71 2.81 2g5iA1 ASP 388 HB3 -0.37 -0.03 0.01 -0.04 2.70 2.27 2g5iA1 PHE 389 H 0.06 0.25 -0.65 -0.55 8.34 7.45 2g5iA1 PHE 389 HA -0.31 0.02 0.48 -0.75 4.62 4.06 2g5iA1 PHE 389 HB2 0.06 0.17 0.17 -0.04 3.15 3.51 2g5iA1 PHE 389 HB3 0.15 0.00 -0.09 -0.04 3.06 3.08 2g5iA1 PHE 389 HD2 -0.24 0.09 -0.01 -0.04 7.28 7.08 2g5iA1 PHE 389 HE2 0.05 -0.01 -0.17 -0.04 7.38 7.21 2g5iA1 PHE 389 HZ 0.16 -0.03 -0.17 -0.04 7.32 7.23 2g5iA1 ASP 390 H 0.22 0.73 0.17 -0.55 8.40 8.97 2g5iA1 ASP 390 HA 0.28 0.02 0.35 -0.75 4.63 4.52 2g5iA1 ASP 390 HB2 0.10 -0.04 0.22 -0.04 2.71 2.95 2g5iA1 ASP 390 HB3 0.11 -0.03 -0.00 -0.04 2.70 2.74 2g5iA1 LYS 391 H 0.05 0.45 -0.09 -0.55 8.42 8.27 2g5iA1 LYS 391 HA 0.05 -0.02 0.35 -0.75 4.32 3.95 2g5iA1 LYS 391 HB2 -0.03 0.07 0.12 -0.04 1.87 1.99 2g5iA1 LYS 391 HB3 0.01 -0.05 0.04 -0.04 1.79 1.74 2g5iA1 LYS 391 HG2 0.02 -0.05 0.05 -0.04 1.46 1.44 2g5iA1 LYS 391 HG3 0.02 0.15 0.07 -0.04 1.46 1.66 2g5iA1 LYS 391 HD2 0.00 -0.05 -0.02 -0.04 1.69 1.57 2g5iA1 LYS 391 HD3 -0.02 0.00 -0.03 -0.04 1.68 1.59 2g5iA1 LYS 391 HE2 -0.00 0.03 0.00 -0.04 2.99 2.98 2g5iA1 LYS 391 HE3 0.01 -0.01 0.00 -0.04 2.99 2.94 2g5iA1 VAL 392 H -0.08 0.32 -0.10 -0.55 8.24 7.83 2g5iA1 VAL 392 HA 0.04 -0.07 0.35 -0.75 4.13 3.69 2g5iA1 VAL 392 HB -0.36 0.18 0.17 -0.04 2.12 2.07 2g5iA1 VAL 392 HG13 -0.27 -0.03 -0.19 -0.04 0.97 0.44 2g5iA1 VAL 392 HG23 -0.23 -0.02 0.12 -0.04 0.95 0.78 2g5iA1 PHE 393 H 0.03 0.75 -0.20 -0.55 8.34 8.37 2g5iA1 PHE 393 HA 0.16 -0.01 0.41 -0.75 4.62 4.43 2g5iA1 PHE 393 HB2 0.11 0.11 0.07 -0.04 3.15 3.40 2g5iA1 PHE 393 HB3 0.09 -0.05 0.11 -0.04 3.06 3.17 2g5iA1 PHE 393 HD2 0.13 -0.00 -0.28 -0.04 7.28 7.09 2g5iA1 PHE 393 HE2 0.00 -0.05 -0.23 -0.04 7.38 7.05 2g5iA1 PHE 393 HZ 0.03 0.14 -0.32 -0.04 7.32 7.12 2g5iA1 GLU 394 H 0.16 0.79 -0.29 -0.55 8.60 8.72 2g5iA1 GLU 394 HA 0.11 0.01 0.56 -0.75 4.29 4.22 2g5iA1 GLU 394 HB2 0.08 0.32 0.23 -0.04 2.09 2.68 2g5iA1 GLU 394 HB3 0.06 -0.12 0.05 -0.04 1.99 1.94 2g5iA1 GLU 394 HG2 0.07 -0.08 0.06 -0.04 2.34 2.34 2g5iA1 GLU 394 HG3 0.10 0.08 0.01 -0.04 2.34 2.49 2g5iA1 ASN 395 H 0.17 0.44 -0.09 -0.55 8.53 8.51 2g5iA1 ASN 395 HA -0.06 0.18 0.99 -0.75 4.76 5.11 2g5iA1 ASN 395 HB2 0.16 0.03 0.06 -0.04 2.88 3.10 2g5iA1 ASN 395 HB3 -0.26 -0.06 0.13 -0.04 2.79 2.56 2g5iA1 ASN 395 HD21 0.04 -0.05 -0.05 -0.04 7.03 6.92 2g5iA1 ASN 395 HD22 0.10 -0.01 -0.04 -0.04 7.74 7.75 2g5iA1 TYR 396 H 0.27 0.22 0.04 -0.55 8.29 8.27 2g5iA1 TYR 396 HA 0.08 0.14 0.88 -0.75 4.56 4.91 2g5iA1 TYR 396 HB2 0.10 -0.00 -0.09 -0.04 3.06 3.03 2g5iA1 TYR 396 HB3 0.11 0.02 0.12 -0.04 2.98 3.20 2g5iA1 TYR 396 HD2 0.03 0.06 -0.45 -0.04 7.15 6.75 2g5iA1 TYR 396 HE2 0.00 -0.05 -0.04 -0.04 6.85 6.72 2g5iA1 ASP 397 H 0.28 0.74 0.41 -0.55 8.40 9.29 2g5iA1 ASP 397 HA 0.15 0.22 1.03 -0.75 4.63 5.27 2g5iA1 ASP 397 HB2 0.12 0.04 0.06 -0.04 2.71 2.88 2g5iA1 ASP 397 HB3 0.07 -0.08 0.04 -0.04 2.70 2.70 2g5iA1 VAL 398 H 0.28 0.33 0.33 -0.55 8.24 8.63 2g5iA1 VAL 398 HA 0.35 0.20 0.67 -0.75 4.13 4.59 2g5iA1 VAL 398 HB 0.19 -0.02 -0.05 -0.04 2.12 2.19 2g5iA1 VAL 398 HG13 0.06 -0.02 -0.36 -0.04 0.97 0.61 2g5iA1 VAL 398 HG23 0.14 -0.01 -0.28 -0.04 0.95 0.76 2g5iA1 VAL 399 H 0.31 0.40 0.24 -0.55 8.24 8.64 2g5iA1 VAL 399 HA 0.09 0.14 1.15 -0.75 4.13 4.75 2g5iA1 VAL 399 HB 0.31 0.01 0.18 -0.04 2.12 2.58 2g5iA1 VAL 399 HG13 0.09 0.02 -0.06 -0.04 0.97 0.98 2g5iA1 VAL 399 HG23 -0.01 -0.01 -0.14 -0.04 0.95 0.74 2g5iA1 VAL 400 H 0.07 0.46 0.29 -0.55 8.24 8.51 2g5iA1 VAL 400 HA 0.05 0.51 1.24 -0.75 4.13 5.17 2g5iA1 VAL 400 HB 0.24 -0.09 -0.12 -0.04 2.12 2.12 2g5iA1 VAL 400 HG13 0.05 -0.00 -0.27 -0.04 0.97 0.70 2g5iA1 VAL 400 HG23 -0.22 0.00 0.02 -0.04 0.95 0.71 2g5iA1 GLY 401 H -0.13 0.41 0.32 -0.55 8.43 8.48 2g5iA1 GLY 401 HA2 0.02 0.02 0.30 -0.51 4.01 3.85 2g5iA1 GLY 401 HA3 0.19 0.10 0.45 -0.51 4.01 4.24 2g5iA1 PRO 402 HA -0.12 0.12 0.66 -0.51 4.44 4.58 2g5iA1 PRO 402 HB2 -0.06 0.09 -0.03 -0.04 2.28 2.23 2g5iA1 PRO 402 HB3 -0.07 -0.02 0.03 -0.04 2.02 1.92 2g5iA1 PRO 402 HG2 -0.08 -0.06 -0.06 -0.04 2.03 1.79 2g5iA1 PRO 402 HG3 -0.04 0.06 0.05 -0.04 2.03 2.06 2g5iA1 PRO 402 HD2 0.02 0.14 0.23 -0.04 3.68 4.04 2g5iA1 PRO 402 HD3 -0.02 0.06 0.12 -0.04 3.65 3.78 2g5iA1 THR 403 H -0.10 0.97 0.30 -0.55 8.28 8.89 2g5iA1 THR 403 HA -0.12 0.12 0.40 -0.75 4.39 4.04 2g5iA1 THR 403 HB -0.06 -0.07 -0.07 -0.04 4.32 4.07 2g5iA1 THR 403 HG23 -0.06 -0.01 -0.38 -0.04 1.22 0.72 2g5iA1 ALA 404 H -0.03 0.16 0.05 -0.55 8.40 8.04 2g5iA1 ALA 404 HA -0.01 0.20 0.84 -0.75 4.34 4.62 2g5iA1 ALA 404 HB3 0.16 -0.00 0.00 -0.04 1.41 1.53 2g5iA1 PRO 405 HA -0.01 0.07 0.33 -0.51 4.44 4.31 2g5iA1 PRO 405 HB2 0.03 0.01 -0.01 -0.04 2.28 2.26 2g5iA1 PRO 405 HB3 -0.00 0.06 -0.16 -0.04 2.02 1.88 2g5iA1 PRO 405 HG2 0.02 0.14 0.20 -0.04 2.03 2.35 2g5iA1 PRO 405 HG3 -0.02 -0.05 0.01 -0.04 2.03 1.94 2g5iA1 PRO 405 HD2 0.10 0.02 0.24 -0.04 3.68 4.00 2g5iA1 PRO 405 HD3 0.01 0.27 0.32 -0.04 3.65 4.21 2g5iA1 THR 406 H 0.09 0.11 -0.19 -0.55 8.28 7.74 2g5iA1 THR 406 HA -0.01 0.09 0.90 -0.75 4.39 4.62 2g5iA1 THR 406 HB -0.01 -0.08 0.17 -0.04 4.32 4.36 2g5iA1 THR 406 HG23 0.01 -0.02 -0.16 -0.04 1.22 1.02 2g5iA1 THR 407 H -0.07 0.08 0.13 -0.55 8.28 7.87 2g5iA1 THR 407 HA -0.17 0.20 0.70 -0.75 4.39 4.37 2g5iA1 THR 407 HB -0.16 0.19 0.04 -0.04 4.32 4.35 2g5iA1 THR 407 HG23 -0.08 -0.05 -0.08 -0.04 1.22 0.97 2g5iA1 ALA 408 H -0.56 0.23 0.10 -0.55 8.40 7.62 2g5iA1 ALA 408 HA -2.39 -0.10 0.31 -0.75 4.34 1.40 2g5iA1 ALA 408 HB3 -0.39 0.06 0.10 -0.04 1.41 1.14 2g5iA1 PHE 409 H -0.82 0.02 0.18 -0.55 8.34 7.16 2g5iA1 PHE 409 HA -0.10 0.26 0.94 -0.75 4.62 4.97 2g5iA1 PHE 409 HB2 -0.02 -0.10 0.18 -0.04 3.15 3.17 2g5iA1 PHE 409 HB3 -0.05 0.08 0.04 -0.04 3.06 3.10 2g5iA1 PHE 409 HD2 0.07 0.22 -0.09 -0.04 7.28 7.44 2g5iA1 PHE 409 HE2 0.13 -0.04 -0.02 -0.04 7.38 7.41 2g5iA1 PHE 409 HZ 0.07 -0.01 -0.09 -0.04 7.32 7.25 2g5iA1 ASN 410 H 0.21 0.10 0.18 -0.55 8.53 8.47 2g5iA1 ASN 410 HA 0.06 0.15 0.77 -0.75 4.76 4.98 2g5iA1 ASN 410 HB2 0.09 -0.11 0.11 -0.04 2.88 2.93 2g5iA1 ASN 410 HB3 0.07 0.21 0.11 -0.04 2.79 3.14 2g5iA1 ASN 410 HD21 0.02 -0.00 -0.03 -0.04 7.03 6.98 2g5iA1 ASN 410 HD22 0.03 0.04 0.02 -0.04 7.74 7.79 2g5iA1 LEU 411 H 0.07 0.65 0.37 -0.55 8.37 8.91 2g5iA1 LEU 411 HA 0.13 -0.05 0.54 -0.75 4.35 4.21 2g5iA1 LEU 411 HB2 0.05 0.08 0.11 -0.04 1.64 1.84 2g5iA1 LEU 411 HB3 0.06 -0.04 0.04 -0.04 1.64 1.66 2g5iA1 LEU 411 HG 0.04 -0.02 -0.18 -0.04 1.64 1.44 2g5iA1 LEU 411 HD13 0.04 0.04 -0.13 -0.04 0.93 0.84 2g5iA1 LEU 411 HD23 0.04 -0.00 -0.10 -0.04 0.89 0.79 2g5iA1 GLY 412 H 0.10 0.08 0.16 -0.55 8.43 8.22 2g5iA1 GLY 412 HA2 0.04 -0.06 0.32 -0.51 4.01 3.80 2g5iA1 GLY 412 HA3 0.04 0.21 0.40 -0.51 4.01 4.15 2g5iA1 GLU 413 H 0.11 0.32 -0.75 -0.55 8.60 7.74 2g5iA1 GLU 413 HA 0.01 0.15 0.42 -0.75 4.29 4.12 2g5iA1 GLU 413 HB2 0.10 0.03 0.02 -0.04 2.09 2.20 2g5iA1 GLU 413 HB3 0.03 -0.10 0.13 -0.04 1.99 2.01 2g5iA1 GLU 413 HG2 -0.04 0.01 -0.09 -0.04 2.34 2.18 2g5iA1 GLU 413 HG3 0.01 0.05 0.02 -0.04 2.34 2.39 2g5iA1 GLU 414 H -0.13 0.15 -0.02 -0.55 8.60 8.06 2g5iA1 GLU 414 HA -0.12 0.29 0.79 -0.75 4.29 4.49 2g5iA1 GLU 414 HB2 -0.33 -0.04 0.10 -0.04 2.09 1.77 2g5iA1 GLU 414 HB3 -0.27 0.06 -0.02 -0.04 1.99 1.72 2g5iA1 GLU 414 HG2 -0.58 -0.04 -0.01 -0.04 2.34 1.67 2g5iA1 GLU 414 HG3 -1.25 -0.01 -0.03 -0.04 2.34 1.01 2g5iA1 ILE 415 H -0.01 0.12 -0.48 -0.55 8.25 7.33 2g5iA1 ILE 415 HA -0.02 0.05 0.39 -0.75 4.18 3.85 2g5iA1 ILE 415 HB 0.06 -0.12 0.06 -0.04 1.89 1.84 2g5iA1 ILE 415 HG12 0.03 0.08 -0.06 -0.04 1.49 1.50 2g5iA1 ILE 415 HG13 0.01 0.05 -0.19 -0.04 1.21 1.04 2g5iA1 ILE 415 HG23 0.01 0.07 -0.09 -0.04 0.93 0.88 2g5iA1 ILE 415 HD13 0.03 -0.02 -0.02 -0.04 0.88 0.83 2g5iA1 ASP 416 H -0.03 0.21 -0.30 -0.55 8.40 7.73 2g5iA1 ASP 416 HA -0.02 0.17 0.72 -0.75 4.63 4.74 2g5iA1 ASP 416 HB2 -0.02 0.07 0.08 -0.04 2.71 2.80 2g5iA1 ASP 416 HB3 -0.02 0.02 0.19 -0.04 2.70 2.86 2g5iA1 ASP 417 H -0.07 0.35 -0.78 -0.55 8.40 7.35 2g5iA1 ASP 417 HA -0.04 0.11 0.46 -0.75 4.63 4.40 2g5iA1 ASP 417 HB2 -0.05 0.18 -0.14 -0.04 2.71 2.66 2g5iA1 ASP 417 HB3 -0.08 -0.01 -0.05 -0.04 2.70 2.52 2g5iA1 PRO 418 HA -0.23 0.07 0.41 -0.51 4.44 4.18 2g5iA1 PRO 418 HB2 0.19 0.06 0.02 -0.04 2.28 2.50 2g5iA1 PRO 418 HB3 0.05 0.04 0.08 -0.04 2.02 2.14 2g5iA1 PRO 418 HG2 0.02 -0.15 0.12 -0.04 2.03 1.98 2g5iA1 PRO 418 HG3 0.02 0.11 0.06 -0.04 2.03 2.18 2g5iA1 PRO 418 HD2 -0.03 0.16 0.13 -0.04 3.68 3.90 2g5iA1 PRO 418 HD3 -0.02 0.17 0.06 -0.04 3.65 3.81 2g5iA1 LEU 419 H 0.04 0.15 -0.03 -0.55 8.37 8.00 2g5iA1 LEU 419 HA 0.45 0.05 0.28 -0.75 4.35 4.37 2g5iA1 LEU 419 HB2 0.01 -0.04 0.07 -0.04 1.64 1.63 2g5iA1 LEU 419 HB3 0.05 0.06 -0.04 -0.04 1.64 1.67 2g5iA1 LEU 419 HG -0.00 0.06 0.00 -0.04 1.64 1.66 2g5iA1 LEU 419 HD13 0.03 -0.01 -0.01 -0.04 0.93 0.90 2g5iA1 LEU 419 HD23 0.00 -0.01 0.04 -0.04 0.89 0.88 2g5iA1 THR 420 H -0.05 0.11 -0.22 -0.55 8.28 7.57 2g5iA1 THR 420 HA -0.02 0.03 0.31 -0.75 4.39 3.96 2g5iA1 THR 420 HB -0.10 0.02 -0.02 -0.04 4.32 4.17 2g5iA1 THR 420 HG23 -0.05 0.00 0.01 -0.04 1.22 1.13 2g5iA1 MET 421 H -0.21 0.42 -0.07 -0.55 8.47 8.06 2g5iA1 MET 421 HA -0.20 -0.01 0.32 -0.75 4.52 3.87 2g5iA1 MET 421 HB2 -0.20 0.17 0.11 -0.04 2.15 2.18 2g5iA1 MET 421 HB3 -0.42 0.20 0.12 -0.04 2.03 1.89 2g5iA1 MET 421 HG2 -0.12 -0.08 -0.07 -0.04 2.63 2.32 2g5iA1 MET 421 HG3 -0.03 -0.00 -0.20 -0.04 2.56 2.28 2g5iA1 MET 421 HE3 0.02 0.01 -0.15 -0.04 2.10 1.95 2g5iA1 TYR 422 H -0.19 0.50 -0.45 -0.55 8.29 7.60 2g5iA1 TYR 422 HA 0.10 -0.04 0.45 -0.75 4.56 4.32 2g5iA1 TYR 422 HB2 0.08 0.18 0.04 -0.04 3.06 3.32 2g5iA1 TYR 422 HB3 0.21 -0.09 0.04 -0.04 2.98 3.10 2g5iA1 TYR 422 HD2 0.14 -0.03 -0.03 -0.04 7.15 7.19 2g5iA1 TYR 422 HE2 0.14 -0.10 -0.22 -0.04 6.85 6.63 2g5iA1 ALA 423 H 0.08 0.79 0.01 -0.55 8.40 8.73 2g5iA1 ALA 423 HA 0.07 -0.01 0.42 -0.75 4.34 4.07 2g5iA1 ALA 423 HB3 0.02 0.01 0.12 -0.04 1.41 1.52 2g5iA1 ASN 424 H 0.07 0.30 -0.63 -0.55 8.53 7.73 2g5iA1 ASN 424 HA 0.07 0.13 0.66 -0.75 4.76 4.86 2g5iA1 ASN 424 HB2 0.13 0.09 0.05 -0.04 2.88 3.10 2g5iA1 ASN 424 HB3 0.19 -0.03 0.09 -0.04 2.79 3.00 2g5iA1 ASN 424 HD21 -0.17 -0.09 -0.06 -0.04 7.03 6.67 2g5iA1 ASN 424 HD22 0.11 0.28 0.13 -0.04 7.74 8.21 2g5iA1 ASP 425 H 0.04 0.53 -0.12 -0.55 8.40 8.30 2g5iA1 ASP 425 HA -0.07 0.17 0.81 -0.75 4.63 4.78 2g5iA1 ASP 425 HB2 -0.09 0.11 0.14 -0.04 2.71 2.82 2g5iA1 ASP 425 HB3 -0.19 0.12 0.25 -0.04 2.70 2.83 2g5iA1 LEU 426 H -0.01 0.28 -0.56 -0.55 8.37 7.53 2g5iA1 LEU 426 HA -0.03 -0.05 0.36 -0.75 4.35 3.88 2g5iA1 LEU 426 HB2 -0.02 0.00 0.10 -0.04 1.64 1.69 2g5iA1 LEU 426 HB3 -0.03 0.08 0.03 -0.04 1.64 1.68 2g5iA1 LEU 426 HG -0.08 0.08 -0.54 -0.04 1.64 1.06 2g5iA1 LEU 426 HD13 -0.04 -0.02 0.01 -0.04 0.93 0.85 2g5iA1 LEU 426 HD23 -0.03 0.00 -0.09 -0.04 0.89 0.73 2g5iA1 LEU 427 H -0.10 0.12 -0.38 -0.55 8.37 7.47 2g5iA1 LEU 427 HA -0.30 0.18 0.76 -0.75 4.35 4.24 2g5iA1 LEU 427 HB2 -0.16 0.20 -0.19 -0.04 1.64 1.45 2g5iA1 LEU 427 HB3 -0.34 0.15 -0.03 -0.04 1.64 1.38 2g5iA1 LEU 427 HG -0.12 -0.19 -0.25 -0.04 1.64 1.04 2g5iA1 LEU 427 HD13 -0.11 0.03 -0.46 -0.04 0.93 0.36 2g5iA1 LEU 427 HD23 -0.28 0.02 -0.17 -0.04 0.89 0.42 2g5iA1 THR 428 H -0.11 0.13 -0.11 -0.55 8.28 7.64 2g5iA1 THR 428 HA -0.09 0.22 0.85 -0.75 4.39 4.61 2g5iA1 THR 428 HB -0.09 -0.19 -0.05 -0.04 4.32 3.95 2g5iA1 THR 428 HG23 -0.09 0.01 0.01 -0.04 1.22 1.11 2g5iA1 THR 429 H -0.11 0.49 0.13 -0.55 8.28 8.23 2g5iA1 THR 429 HA -0.13 -0.06 0.30 -0.75 4.39 3.76 2g5iA1 THR 429 HB 0.02 -0.02 -0.20 -0.04 4.32 4.08 2g5iA1 THR 429 HG23 -0.31 0.03 0.05 -0.04 1.22 0.95 2g5iA1 PRO 430 HA 0.15 0.00 0.29 -0.51 4.44 4.37 2g5iA1 PRO 430 HB2 0.29 0.09 -0.12 -0.04 2.28 2.51 2g5iA1 PRO 430 HB3 0.26 0.00 -0.02 -0.04 2.02 2.22 2g5iA1 PRO 430 HG2 0.06 0.10 0.01 -0.04 2.03 2.16 2g5iA1 PRO 430 HG3 0.08 -0.01 0.07 -0.04 2.03 2.12 2g5iA1 PRO 430 HD2 -0.03 0.14 -0.63 -0.04 3.68 3.12 2g5iA1 PRO 430 HD3 -0.01 0.06 -0.05 -0.04 3.65 3.61 2g5iA1 VAL 431 H 0.06 0.34 -0.47 -0.55 8.24 7.62 2g5iA1 VAL 431 HA -0.08 0.02 0.24 -0.75 4.13 3.55 2g5iA1 VAL 431 HB -0.03 0.02 0.05 -0.04 2.12 2.12 2g5iA1 VAL 431 HG13 -0.07 -0.02 -0.32 -0.04 0.97 0.53 2g5iA1 VAL 431 HG23 0.01 -0.01 -0.06 -0.04 0.95 0.85 2g5iA1 ASN 432 H -0.01 0.21 -0.13 -0.55 8.53 8.06 2g5iA1 ASN 432 HA 0.00 0.10 0.33 -0.75 4.76 4.43 2g5iA1 ASN 432 HB2 0.03 0.01 0.09 -0.04 2.88 2.96 2g5iA1 ASN 432 HB3 0.03 0.01 0.02 -0.04 2.79 2.81 2g5iA1 ASN 432 HD21 0.02 -0.35 -0.78 -0.04 7.03 5.88 2g5iA1 ASN 432 HD22 0.04 0.22 -0.12 -0.04 7.74 7.84 2g5iA1 LEU 433 H 0.04 0.41 -0.20 -0.55 8.37 8.08 2g5iA1 LEU 433 HA 0.00 0.00 0.36 -0.75 4.35 3.96 2g5iA1 LEU 433 HB2 0.09 0.11 0.04 -0.04 1.64 1.83 2g5iA1 LEU 433 HB3 0.05 -0.01 -0.03 -0.04 1.64 1.61 2g5iA1 LEU 433 HG 0.06 -0.05 -0.06 -0.04 1.64 1.55 2g5iA1 LEU 433 HD13 0.05 -0.02 -0.07 -0.04 0.93 0.84 2g5iA1 LEU 433 HD23 0.10 0.04 -0.16 -0.04 0.89 0.84 2g5iA1 ALA 434 H 0.04 0.50 -0.26 -0.55 8.40 8.14 2g5iA1 ALA 434 HA 0.03 0.05 0.61 -0.75 4.34 4.29 2g5iA1 ALA 434 HB3 0.03 -0.01 0.07 -0.04 1.41 1.47 2g5iA1 GLY 435 H -0.04 0.48 -0.47 -0.55 8.43 7.86 2g5iA1 GLY 435 HA2 -0.02 0.07 0.40 -0.51 4.01 3.95 2g5iA1 GLY 435 HA3 -0.07 -0.02 0.42 -0.51 4.01 3.84 2g5iA1 LEU 436 H -0.11 0.28 -0.37 -0.55 8.37 7.62 2g5iA1 LEU 436 HA -0.15 0.07 0.58 -0.75 4.35 4.09 2g5iA1 LEU 436 HB2 -0.28 -0.09 -0.07 -0.04 1.64 1.16 2g5iA1 LEU 436 HB3 -0.20 0.22 -0.03 -0.04 1.64 1.59 2g5iA1 LEU 436 HG -0.17 0.10 -0.15 -0.04 1.64 1.39 2g5iA1 LEU 436 HD13 -0.65 -0.01 -0.08 -0.04 0.93 0.14 2g5iA1 LEU 436 HD23 -0.11 0.03 -0.02 -0.04 0.89 0.75 2g5iA1 PRO 437 HA -0.09 0.42 0.58 -0.51 4.44 4.84 2g5iA1 PRO 437 HB2 -0.12 -0.02 -0.07 -0.04 2.28 2.04 2g5iA1 PRO 437 HB3 -0.13 -0.23 0.06 -0.04 2.02 1.67 2g5iA1 PRO 437 HG2 -0.10 -0.11 0.08 -0.04 2.03 1.85 2g5iA1 PRO 437 HG3 -0.12 -0.04 -0.05 -0.04 2.03 1.78 2g5iA1 PRO 437 HD2 -0.16 0.47 -0.00 -0.04 3.68 3.94 2g5iA1 PRO 437 HD3 -0.19 -0.03 0.10 -0.04 3.65 3.49 2g5iA1 GLY 438 H -0.07 0.50 0.28 -0.55 8.43 8.59 2g5iA1 GLY 438 HA2 -0.02 0.36 1.12 -0.51 4.01 4.96 2g5iA1 GLY 438 HA3 -0.04 -0.04 0.26 -0.51 4.01 3.68 2g5iA1 ILE 439 H 0.01 0.55 0.34 -0.55 8.25 8.60 2g5iA1 ILE 439 HA -0.04 0.17 1.14 -0.75 4.18 4.69 2g5iA1 ILE 439 HB -0.16 -0.07 -0.15 -0.04 1.89 1.47 2g5iA1 ILE 439 HG12 0.06 0.10 -0.29 -0.04 1.49 1.31 2g5iA1 ILE 439 HG13 -0.03 0.04 -0.08 -0.04 1.21 1.10 2g5iA1 ILE 439 HG23 0.16 0.05 -0.07 -0.04 0.93 1.03 2g5iA1 ILE 439 HD13 -0.15 -0.03 -0.19 -0.04 0.88 0.48 2g5iA1 SER 440 H 0.00 0.93 0.40 -0.55 8.46 9.24 2g5iA1 SER 440 HA -0.06 0.38 1.11 -0.75 4.49 5.16 2g5iA1 SER 440 HB2 -0.04 -0.12 -0.14 -0.04 3.95 3.61 2g5iA1 SER 440 HB3 -0.01 -0.07 0.10 -0.04 3.93 3.91 2g5iA1 VAL 441 H -0.05 0.61 0.30 -0.55 8.24 8.55 2g5iA1 VAL 441 HA 0.09 0.15 0.61 -0.75 4.13 4.23 2g5iA1 VAL 441 HB 0.17 0.07 0.04 -0.04 2.12 2.36 2g5iA1 VAL 441 HG13 0.18 -0.04 -0.28 -0.04 0.97 0.78 2g5iA1 VAL 441 HG23 0.10 0.02 -0.13 -0.04 0.95 0.90 2g5iA1 PRO 442 HA 0.07 0.22 0.68 -0.51 4.44 4.90 2g5iA1 PRO 442 HB2 0.23 -0.05 0.02 -0.04 2.28 2.44 2g5iA1 PRO 442 HB3 0.11 0.08 0.13 -0.04 2.02 2.30 2g5iA1 PRO 442 HG2 0.11 -0.01 0.11 -0.04 2.03 2.20 2g5iA1 PRO 442 HG3 0.10 0.11 0.09 -0.04 2.03 2.29 2g5iA1 PRO 442 HD2 0.13 0.03 0.14 -0.04 3.68 3.94 2g5iA1 PRO 442 HD3 0.12 0.24 -0.19 -0.04 3.65 3.78 2g5iA1 CYS 443 H 0.03 0.24 0.27 -0.55 8.50 8.49 2g5iA1 CYS 443 HA 0.31 0.22 0.71 -0.75 4.58 5.06 2g5iA1 CYS 443 HB2 -0.12 0.01 0.06 -0.04 2.97 2.87 2g5iA1 CYS 443 HB3 -0.27 0.05 -0.17 -0.04 2.97 2.54 2g5iA1 GLY 444 H 0.00 0.14 0.20 -0.55 8.43 8.23 2g5iA1 GLY 444 HA2 -0.48 0.07 0.29 -0.51 4.01 3.38 2g5iA1 GLY 444 HA3 -0.26 0.14 0.50 -0.51 4.01 3.89 2g5iA1 GLN 445 H -0.06 0.22 0.15 -0.55 8.47 8.24 2g5iA1 GLN 445 HA -0.08 0.27 0.71 -0.75 4.36 4.51 2g5iA1 GLN 445 HB2 0.01 -0.02 -0.07 -0.04 2.15 2.03 2g5iA1 GLN 445 HB3 -0.04 -0.12 -0.22 -0.04 2.02 1.61 2g5iA1 GLN 445 HG2 -0.15 0.11 -0.29 -0.04 2.40 2.03 2g5iA1 GLN 445 HG3 0.05 -0.07 -0.43 -0.04 2.39 1.90 2g5iA1 GLN 445 HE21 0.12 0.01 -0.06 -0.04 6.97 7.00 2g5iA1 GLN 445 HE22 -0.05 0.22 -0.13 -0.04 7.69 7.70 2g5iA1 SER 446 H -0.08 0.51 -0.05 -0.55 8.46 8.30 2g5iA1 SER 446 HA -0.04 0.06 0.66 -0.75 4.49 4.42 2g5iA1 SER 446 HB2 -0.05 0.06 -0.21 -0.04 3.95 3.71 2g5iA1 SER 446 HB3 -0.07 0.13 -0.00 -0.04 3.93 3.95 2g5iA1 ASN 447 H -0.02 0.19 0.12 -0.55 8.53 8.27 2g5iA1 ASN 447 HA -0.01 0.05 0.34 -0.75 4.76 4.38 2g5iA1 ASN 447 HB2 -0.03 0.21 0.04 -0.04 2.88 3.06 2g5iA1 ASN 447 HB3 -0.02 0.03 0.20 -0.04 2.79 2.96 2g5iA1 ASN 447 HD21 -0.03 -0.04 -0.05 -0.04 7.03 6.88 2g5iA1 ASN 447 HD22 -0.03 0.09 -0.12 -0.04 7.74 7.64 2g5iA1 GLY 448 H -0.02 -0.06 -0.54 -0.55 8.43 7.26 2g5iA1 GLY 448 HA2 0.01 -0.02 0.20 -0.51 4.01 3.68 2g5iA1 GLY 448 HA3 0.02 0.19 0.48 -0.51 4.01 4.19 2g5iA1 ARG 449 H -0.06 0.70 -0.44 -0.55 8.46 8.10 2g5iA1 ARG 449 HA -0.17 0.23 0.76 -0.75 4.34 4.41 2g5iA1 ARG 449 HB2 -0.11 -0.04 0.15 -0.04 1.90 1.86 2g5iA1 ARG 449 HB3 -0.15 -0.00 0.05 -0.04 1.80 1.66 2g5iA1 ARG 449 HG2 -0.04 0.04 -0.15 -0.04 1.67 1.49 2g5iA1 ARG 449 HG3 -0.05 0.08 -0.08 -0.04 1.67 1.59 2g5iA1 ARG 449 HD2 -0.08 -0.04 -0.04 -0.04 3.22 3.01 2g5iA1 ARG 449 HD3 -0.11 0.02 -0.11 -0.04 3.22 2.98 2g5iA1 PRO 450 HA -0.17 0.11 0.59 -0.51 4.44 4.46 2g5iA1 PRO 450 HB2 -0.14 0.07 0.07 -0.04 2.28 2.23 2g5iA1 PRO 450 HB3 -0.41 0.00 0.10 -0.04 2.02 1.68 2g5iA1 PRO 450 HG2 -0.20 0.09 -0.19 -0.04 2.03 1.68 2g5iA1 PRO 450 HG3 -0.61 0.04 -0.32 -0.04 2.03 1.09 2g5iA1 PRO 450 HD2 -0.37 0.09 0.24 -0.04 3.68 3.61 2g5iA1 PRO 450 HD3 -1.24 0.21 0.17 -0.04 3.65 2.75 2g5iA1 ILE 451 H -0.06 0.47 0.38 -0.55 8.25 8.48 2g5iA1 ILE 451 HA -0.05 0.14 0.70 -0.75 4.18 4.21 2g5iA1 ILE 451 HB -0.08 -0.04 -0.16 -0.04 1.89 1.57 2g5iA1 ILE 451 HG12 -0.07 0.00 -0.22 -0.04 1.49 1.17 2g5iA1 ILE 451 HG13 -0.08 0.08 -0.55 -0.04 1.21 0.62 2g5iA1 ILE 451 HG23 -0.07 0.01 -0.19 -0.04 0.93 0.64 2g5iA1 ILE 451 HD13 -0.07 -0.04 -0.34 -0.04 0.88 0.40 2g5iA1 GLY 452 H -0.03 0.15 0.09 -0.55 8.43 8.09 2g5iA1 GLY 452 HA2 -0.04 0.29 1.01 -0.51 4.01 4.76 2g5iA1 GLY 452 HA3 -0.03 -0.02 0.22 -0.51 4.01 3.67 2g5iA1 LEU 453 H -0.13 0.72 0.29 -0.55 8.37 8.70 2g5iA1 LEU 453 HA -0.25 0.08 0.74 -0.75 4.35 4.17 2g5iA1 LEU 453 HB2 -0.34 -0.06 -0.04 -0.04 1.64 1.16 2g5iA1 LEU 453 HB3 -0.39 0.11 0.03 -0.04 1.64 1.35 2g5iA1 LEU 453 HG -0.88 0.06 -0.20 -0.04 1.64 0.58 2g5iA1 LEU 453 HD13 -0.27 -0.00 -0.05 -0.04 0.93 0.56 2g5iA1 LEU 453 HD23 -0.63 -0.00 -0.13 -0.04 0.89 0.09 2g5iA1 GLN 454 H -0.35 0.67 0.31 -0.55 8.47 8.55 2g5iA1 GLN 454 HA -0.31 0.35 1.19 -0.75 4.36 4.85 2g5iA1 GLN 454 HB2 -0.15 -0.15 -0.31 -0.04 2.15 1.50 2g5iA1 GLN 454 HB3 -0.15 0.12 -0.21 -0.04 2.02 1.73 2g5iA1 GLN 454 HG2 -0.05 -0.01 -0.33 -0.04 2.40 1.97 2g5iA1 GLN 454 HG3 -0.08 0.02 -0.11 -0.04 2.39 2.18 2g5iA1 GLN 454 HE21 -0.17 0.26 -0.11 -0.04 6.97 6.90 2g5iA1 GLN 454 HE22 -0.15 0.09 -0.25 -0.04 7.69 7.34 2g5iA1 PHE 455 H -0.05 0.46 0.30 -0.55 8.34 8.49 2g5iA1 PHE 455 HA 0.04 0.42 1.01 -0.75 4.62 5.34 2g5iA1 PHE 455 HB2 -0.03 -0.08 0.11 -0.04 3.15 3.11 2g5iA1 PHE 455 HB3 0.02 -0.03 -0.04 -0.04 3.06 2.96 2g5iA1 PHE 455 HD2 0.01 0.01 -0.16 -0.04 7.28 7.10 2g5iA1 PHE 455 HE2 -0.02 0.00 -0.16 -0.04 7.38 7.16 2g5iA1 PHE 455 HZ -0.12 0.02 -0.17 -0.04 7.32 7.01 2g5iA1 ILE 456 H 0.23 0.70 0.30 -0.55 8.25 8.93 2g5iA1 ILE 456 HA 0.06 0.25 1.04 -0.75 4.18 4.78 2g5iA1 ILE 456 HB 0.30 -0.07 0.16 -0.04 1.89 2.23 2g5iA1 ILE 456 HG12 0.06 -0.03 -0.17 -0.04 1.49 1.32 2g5iA1 ILE 456 HG13 0.14 -0.02 -0.27 -0.04 1.21 1.02 2g5iA1 ILE 456 HG23 -0.11 0.03 -0.19 -0.04 0.93 0.62 2g5iA1 ILE 456 HD13 0.35 0.01 -0.14 -0.04 0.88 1.06 2g5iA1 GLY 457 H 0.00 0.43 0.20 -0.55 8.43 8.51 2g5iA1 GLY 457 HA2 0.04 0.12 0.79 -0.51 4.01 4.44 2g5iA1 GLY 457 HA3 -0.05 -0.02 0.37 -0.51 4.01 3.79 2g5iA1 LYS 458 H -0.37 0.16 0.20 -0.55 8.42 7.85 2g5iA1 LYS 458 HA -0.91 0.11 0.45 -0.75 4.32 3.22 2g5iA1 LYS 458 HB2 -0.23 -0.08 0.07 -0.04 1.87 1.59 2g5iA1 LYS 458 HB3 -0.32 0.05 0.17 -0.04 1.79 1.65 2g5iA1 LYS 458 HG2 -1.11 0.02 0.05 -0.04 1.46 0.38 2g5iA1 LYS 458 HG3 -0.56 0.06 0.14 -0.04 1.46 1.06 2g5iA1 LYS 458 HD2 -0.10 -0.10 0.11 -0.04 1.69 1.55 2g5iA1 LYS 458 HD3 -0.10 -0.02 0.08 -0.04 1.68 1.60 2g5iA1 LYS 458 HE2 0.11 0.15 0.19 -0.04 2.99 3.40 2g5iA1 LYS 458 HE3 0.04 -0.05 0.25 -0.04 2.99 3.18 2g5iA1 PRO 459 HA -0.23 0.02 0.58 -0.51 4.44 4.30 2g5iA1 PRO 459 HB2 0.02 0.02 0.02 -0.04 2.28 2.29 2g5iA1 PRO 459 HB3 -0.13 0.16 0.12 -0.04 2.02 2.13 2g5iA1 PRO 459 HG2 0.04 -0.01 0.13 -0.04 2.03 2.16 2g5iA1 PRO 459 HG3 0.02 0.07 0.10 -0.04 2.03 2.18 2g5iA1 PRO 459 HD2 -0.18 0.08 0.25 -0.04 3.68 3.79 2g5iA1 PRO 459 HD3 -0.12 0.20 0.16 -0.04 3.65 3.85 2g5iA1 PHE 460 H -0.41 0.14 0.19 -0.55 8.34 7.72 2g5iA1 PHE 460 HA 0.08 -0.04 0.37 -0.75 4.62 4.28 2g5iA1 PHE 460 HB2 0.02 0.27 -0.05 -0.04 3.15 3.35 2g5iA1 PHE 460 HB3 0.06 -0.03 0.15 -0.04 3.06 3.19 2g5iA1 PHE 460 HD2 0.05 0.02 -0.13 -0.04 7.28 7.18 2g5iA1 PHE 460 HE2 0.05 0.04 -0.14 -0.04 7.38 7.28 2g5iA1 PHE 460 HZ 0.06 0.06 -0.06 -0.04 7.32 7.35 2g5iA1 ASP 461 H 0.01 0.37 -0.95 -0.55 8.40 7.28 2g5iA1 ASP 461 HA 0.11 0.12 0.67 -0.75 4.63 4.78 2g5iA1 ASP 461 HB2 0.01 0.12 -0.03 -0.04 2.71 2.76 2g5iA1 ASP 461 HB3 -0.06 0.12 0.03 -0.04 2.70 2.75 2g5iA1 GLU 462 H 0.21 0.36 -0.48 -0.55 8.60 8.14 2g5iA1 GLU 462 HA -0.04 0.12 0.48 -0.75 4.29 4.10 2g5iA1 GLU 462 HB2 0.11 0.08 -0.00 -0.04 2.09 2.23 2g5iA1 GLU 462 HB3 -0.16 0.01 -0.03 -0.04 1.99 1.77 2g5iA1 GLU 462 HG2 -0.17 0.03 -0.04 -0.04 2.34 2.12 2g5iA1 GLU 462 HG3 -0.09 0.05 -0.09 -0.04 2.34 2.17 2g5iA1 LYS 463 H 0.32 0.21 -0.11 -0.55 8.42 8.29 2g5iA1 LYS 463 HA 0.41 0.13 0.36 -0.75 4.32 4.46 2g5iA1 LYS 463 HB2 0.14 -0.02 0.05 -0.04 1.87 1.99 2g5iA1 LYS 463 HB3 0.20 0.08 0.10 -0.04 1.79 2.13 2g5iA1 LYS 463 HG2 0.11 -0.08 -0.05 -0.04 1.46 1.40 2g5iA1 LYS 463 HG3 0.08 0.03 -0.30 -0.04 1.46 1.23 2g5iA1 LYS 463 HD2 0.03 0.04 0.00 -0.04 1.69 1.72 2g5iA1 LYS 463 HD3 0.03 0.02 -0.04 -0.04 1.68 1.65 2g5iA1 LYS 463 HE2 0.03 -0.02 -0.08 -0.04 2.99 2.87 2g5iA1 LYS 463 HE3 0.02 0.04 -0.02 -0.04 2.99 2.99 2g5iA1 THR 464 H 0.10 0.18 -0.61 -0.55 8.28 7.39 2g5iA1 THR 464 HA 0.06 0.12 0.52 -0.75 4.39 4.33 2g5iA1 THR 464 HB 0.03 0.16 0.08 -0.04 4.32 4.55 2g5iA1 THR 464 HG23 0.01 0.01 -0.20 -0.04 1.22 1.00 2g5iA1 LEU 465 H -0.00 0.25 -0.09 -0.55 8.37 7.98 2g5iA1 LEU 465 HA -0.08 0.05 0.33 -0.75 4.35 3.89 2g5iA1 LEU 465 HB2 -0.21 0.04 0.11 -0.04 1.64 1.54 2g5iA1 LEU 465 HB3 -0.11 0.00 -0.09 -0.04 1.64 1.40 2g5iA1 LEU 465 HG -0.04 0.13 0.07 -0.04 1.64 1.76 2g5iA1 LEU 465 HD13 -0.07 -0.03 -0.10 -0.04 0.93 0.69 2g5iA1 LEU 465 HD23 0.06 0.00 -0.22 -0.04 0.89 0.69 2g5iA1 TYR 466 H 0.00 0.59 -0.15 -0.55 8.29 8.19 2g5iA1 TYR 466 HA 0.07 0.00 0.28 -0.75 4.56 4.16 2g5iA1 TYR 466 HB2 0.08 0.13 0.05 -0.04 3.06 3.28 2g5iA1 TYR 466 HB3 0.08 -0.02 -0.04 -0.04 2.98 2.96 2g5iA1 TYR 466 HD2 0.07 0.02 -0.09 -0.04 7.15 7.11 2g5iA1 TYR 466 HE2 -0.18 -0.03 -0.10 -0.04 6.85 6.50 2g5iA1 ARG 467 H 0.13 0.22 -0.65 -0.55 8.46 7.61 2g5iA1 ARG 467 HA 0.10 -0.05 0.32 -0.75 4.34 3.96 2g5iA1 ARG 467 HB2 0.06 0.03 0.05 -0.04 1.90 2.00 2g5iA1 ARG 467 HB3 0.04 0.19 0.26 -0.04 1.80 2.25 2g5iA1 ARG 467 HG2 0.03 -0.04 -0.27 -0.04 1.67 1.36 2g5iA1 ARG 467 HG3 0.04 0.08 -0.09 -0.04 1.67 1.66 2g5iA1 ARG 467 HD2 0.03 -0.03 -0.02 -0.04 3.22 3.15 2g5iA1 ARG 467 HD3 0.03 -0.07 0.02 -0.04 3.22 3.16 2g5iA1 VAL 468 H -0.04 0.55 0.06 -0.55 8.24 8.26 2g5iA1 VAL 468 HA -0.05 -0.02 0.31 -0.75 4.13 3.62 2g5iA1 VAL 468 HB -0.12 -0.00 0.06 -0.04 2.12 2.01 2g5iA1 VAL 468 HG13 -0.48 0.05 -0.04 -0.04 0.97 0.46 2g5iA1 VAL 468 HG23 -0.31 -0.02 -0.10 -0.04 0.95 0.49 2g5iA1 ALA 469 H -0.12 0.62 -0.58 -0.55 8.40 7.77 2g5iA1 ALA 469 HA -0.07 0.03 0.44 -0.75 4.34 3.98 2g5iA1 ALA 469 HB3 0.12 -0.03 -0.04 -0.04 1.41 1.42 2g5iA1 TYR 470 H 0.21 0.74 -0.08 -0.55 8.29 8.61 2g5iA1 TYR 470 HA 0.14 -0.05 0.60 -0.75 4.56 4.49 2g5iA1 TYR 470 HB2 0.11 0.00 0.10 -0.04 3.06 3.24 2g5iA1 TYR 470 HB3 0.07 0.12 0.20 -0.04 2.98 3.33 2g5iA1 TYR 470 HD2 0.07 -0.01 -0.19 -0.04 7.15 6.98 2g5iA1 TYR 470 HE2 0.05 -0.02 -0.03 -0.04 6.85 6.81 2g5iA1 GLN 471 H 0.18 0.41 -0.09 -0.55 8.47 8.43 2g5iA1 GLN 471 HA 0.12 0.05 0.41 -0.75 4.36 4.18 2g5iA1 GLN 471 HB2 0.09 0.11 0.16 -0.04 2.15 2.46 2g5iA1 GLN 471 HB3 0.08 -0.02 0.03 -0.04 2.02 2.07 2g5iA1 GLN 471 HG2 0.12 0.14 -0.02 -0.04 2.40 2.60 2g5iA1 GLN 471 HG3 0.08 -0.20 0.03 -0.04 2.39 2.25 2g5iA1 GLN 471 HE21 0.14 0.03 -0.03 -0.04 6.97 7.07 2g5iA1 GLN 471 HE22 0.09 -0.05 0.03 -0.04 7.69 7.71 2g5iA1 TYR 472 H 0.19 0.38 -0.12 -0.55 8.29 8.19 2g5iA1 TYR 472 HA 0.07 0.06 0.32 -0.75 4.56 4.25 2g5iA1 TYR 472 HB2 0.17 0.03 0.06 -0.04 3.06 3.27 2g5iA1 TYR 472 HB3 0.18 0.06 0.05 -0.04 2.98 3.23 2g5iA1 TYR 472 HD2 0.14 0.06 -0.22 -0.04 7.15 7.09 2g5iA1 TYR 472 HE2 0.14 0.07 0.01 -0.04 6.85 7.03 2g5iA1 GLU 473 H 0.14 0.33 -0.39 -0.55 8.60 8.14 2g5iA1 GLU 473 HA 0.07 0.25 0.47 -0.75 4.29 4.33 2g5iA1 GLU 473 HB2 0.09 0.06 0.24 -0.04 2.09 2.44 2g5iA1 GLU 473 HB3 -0.19 0.09 0.17 -0.04 1.99 2.02 2g5iA1 GLU 473 HG2 -0.02 0.02 0.03 -0.04 2.34 2.33 2g5iA1 GLU 473 HG3 -0.06 0.05 0.23 -0.04 2.34 2.52 2g5iA1 THR 474 H -0.16 0.54 -0.46 -0.55 8.28 7.65 2g5iA1 THR 474 HA -0.13 -0.04 0.48 -0.75 4.39 3.94 2g5iA1 THR 474 HB -0.05 -0.12 0.12 -0.04 4.32 4.22 2g5iA1 THR 474 HG23 -0.24 0.07 0.11 -0.04 1.22 1.12 2g5iA1 GLN 475 H -0.20 0.58 -0.11 -0.55 8.47 8.19 2g5iA1 GLN 475 HA -0.09 0.08 0.83 -0.75 4.36 4.43 2g5iA1 GLN 475 HB2 -0.36 0.09 0.14 -0.04 2.15 1.97 2g5iA1 GLN 475 HB3 -0.14 -0.10 0.07 -0.04 2.02 1.81 2g5iA1 GLN 475 HG2 -0.08 0.08 -0.05 -0.04 2.40 2.31 2g5iA1 GLN 475 HG3 -0.06 0.04 0.01 -0.04 2.39 2.33 2g5iA1 GLN 475 HE21 -0.02 -0.05 -0.09 -0.04 6.97 6.77 2g5iA1 GLN 475 HE22 -0.04 -0.02 -0.30 -0.04 7.69 7.29 2g5iA1 TYR 476 H -0.27 0.56 0.09 -0.55 8.29 8.13 2g5iA1 TYR 476 HA -0.13 0.07 0.60 -0.75 4.56 4.34 2g5iA1 TYR 476 HB2 -0.18 0.04 -0.12 -0.04 3.06 2.76 2g5iA1 TYR 476 HB3 -0.34 0.01 -0.05 -0.04 2.98 2.57 2g5iA1 TYR 476 HD2 0.08 0.15 -0.22 -0.04 7.15 7.12 2g5iA1 TYR 476 HE2 -0.00 -0.09 -0.26 -0.04 6.85 6.46 2g5iA1 ASN 477 H -1.21 0.28 0.18 -0.55 8.53 7.23 2g5iA1 ASN 477 HA -0.32 0.12 0.37 -0.75 4.76 4.17 2g5iA1 ASN 477 HB2 -0.73 -0.17 0.25 -0.04 2.88 2.19 2g5iA1 ASN 477 HB3 -0.31 0.38 0.36 -0.04 2.79 3.17 2g5iA1 ASN 477 HD21 -0.09 -0.10 -0.13 -0.04 7.03 6.68 2g5iA1 ASN 477 HD22 -0.18 1.09 -0.09 -0.04 7.74 8.52 2g5iA1 LEU 478 H -0.31 0.27 0.17 -0.55 8.37 7.95 2g5iA1 LEU 478 HA -0.33 0.20 0.90 -0.75 4.35 4.38 2g5iA1 LEU 478 HB2 -0.20 0.20 0.21 -0.04 1.64 1.81 2g5iA1 LEU 478 HB3 -0.27 -0.03 0.23 -0.04 1.64 1.52 2g5iA1 LEU 478 HG -0.04 -0.08 -0.11 -0.04 1.64 1.37 2g5iA1 LEU 478 HD13 0.08 0.05 0.04 -0.04 0.93 1.06 2g5iA1 LEU 478 HD23 -0.07 0.03 -0.13 -0.04 0.89 0.67 2g5iA1 HIS 479 H -0.42 0.13 -0.17 -0.55 8.41 7.40 2g5iA1 HIS 479 HA -0.08 0.14 0.46 -0.75 4.63 4.39 2g5iA1 HIS 479 HB2 -0.10 -0.05 0.12 -0.04 3.26 3.20 2g5iA1 HIS 479 HB3 -0.03 0.03 0.02 -0.04 3.20 3.17 2g5iA1 HIS 479 HD2 0.13 0.12 0.12 -0.04 6.97 7.30 2g5iA1 HIS 479 HE1 -0.04 0.03 0.05 -0.04 7.75 7.74 2g5iA1 ASP 480 H -0.04 0.13 -0.10 -0.55 8.40 7.83 2g5iA1 ASP 480 HA -0.07 0.13 0.48 -0.75 4.63 4.42 2g5iA1 ASP 480 HB2 -0.07 0.03 0.04 -0.04 2.71 2.67 2g5iA1 ASP 480 HB3 -0.06 0.02 0.16 -0.04 2.70 2.79 2g5iA1 VAL 481 H -0.32 0.50 -0.77 -0.55 8.24 7.10 2g5iA1 VAL 481 HA -0.11 0.19 0.99 -0.75 4.13 4.45 2g5iA1 VAL 481 HB -0.23 0.17 0.11 -0.04 2.12 2.13 2g5iA1 VAL 481 HG13 0.07 -0.01 -0.09 -0.04 0.97 0.90 2g5iA1 VAL 481 HG23 -0.13 -0.05 -0.14 -0.04 0.95 0.59 2g5iA1 TYR 482 H -0.56 0.34 0.20 -0.55 8.29 7.72 2g5iA1 TYR 482 HA -0.14 0.24 0.37 -0.75 4.56 4.28 2g5iA1 TYR 482 HB2 0.03 -0.06 0.10 -0.04 3.06 3.09 2g5iA1 TYR 482 HB3 0.09 0.24 0.10 -0.04 2.98 3.37 2g5iA1 TYR 482 HD2 0.05 0.03 0.15 -0.04 7.15 7.35 2g5iA1 TYR 482 HE2 0.23 0.04 0.12 -0.04 6.85 7.20 2g5iA1 GLU 483 H -0.20 0.06 -0.44 -0.55 8.60 7.47 2g5iA1 GLU 483 HA -1.17 0.12 0.30 -0.75 4.29 2.78 2g5iA1 GLU 483 HB2 -0.25 -0.01 -0.09 -0.04 2.09 1.69 2g5iA1 GLU 483 HB3 -0.28 -0.00 -0.13 -0.04 1.99 1.54 2g5iA1 GLU 483 HG2 -0.92 0.03 -0.01 -0.04 2.34 1.40 2g5iA1 GLU 483 HG3 -0.52 0.02 -0.02 -0.04 2.34 1.78 2g5iA1 LYS 484 H -0.12 0.48 -0.30 -0.55 8.42 7.92 2g5iA1 LYS 484 HA -0.05 0.08 0.63 -0.75 4.32 4.22 2g5iA1 LYS 484 HB2 -0.04 0.03 0.02 -0.04 1.87 1.83 2g5iA1 LYS 484 HB3 -0.03 -0.07 0.14 -0.04 1.79 1.78 2g5iA1 LYS 484 HG2 -0.06 -0.05 -0.05 -0.04 1.46 1.26 2g5iA1 LYS 484 HG3 -0.09 0.04 0.02 -0.04 1.46 1.39 2g5iA1 LYS 484 HD2 -0.04 -0.01 0.05 -0.04 1.69 1.65 2g5iA1 LYS 484 HD3 -0.03 -0.07 0.02 -0.04 1.68 1.56 2g5iA1 LYS 484 HE2 -0.06 0.34 0.16 -0.04 2.99 3.38 2g5iA1 LYS 484 HE3 -0.04 -0.09 0.03 -0.04 2.99 2.85 2g5iA1 LEU 485 H -0.05 0.52 -0.59 -0.55 8.37 7.70 2g5iA1 LEU 485 HA -0.01 0.14 0.14 -0.75 4.35 3.88 2g5iA1 LEU 485 HB2 -0.04 0.55 0.82 -0.04 1.64 2.93 2g5iA1 LEU 485 HB3 -0.08 0.00 0.14 -0.04 1.64 1.66 2g5iA1 LEU 485 HG 0.06 -0.00 0.02 -0.04 1.64 1.68 2g5iA1 LEU 485 HD13 0.05 0.01 -0.22 -0.04 0.93 0.73 2g5iA1 LEU 485 HD23 0.05 -0.02 0.03 -0.04 0.89 0.91