============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 7 1.000 22.377 17.828 20.419 -99.200 -91.000 HIS 18 0.900 30.930 12.898 29.326 -99.200 -91.000 PHE 19 1.000 35.811 16.754 26.258 -99.200 -91.000 PHE 23 1.000 47.531 24.689 35.584 -99.200 -91.000 TYR 27 0.840 50.405 19.205 37.526 -99.200 -91.000 PHE 30 1.000 55.783 20.601 33.550 -99.200 -91.000 TYR 35 0.840 58.475 18.416 28.807 -99.200 -91.000 TYR 42 0.840 63.894 20.565 28.481 -99.200 -91.000 PHE 43 1.000 61.115 22.999 32.327 -99.200 -91.000 TYR 50 0.840 57.318 23.215 28.225 -99.200 -91.000 TRP 59 1.040 45.177 18.197 17.956 -99.200 -91.000 TRP6 59 1.020 43.248 19.455 18.509 -99.200 -91.000 PHE 62 1.000 39.953 18.566 22.950 -99.200 -91.000 PHE 65 1.000 38.605 10.015 26.454 -99.200 -91.000 PHE 69 1.000 30.967 16.153 24.484 -99.200 -91.000 TYR 76 0.840 22.516 11.926 25.000 -99.200 -91.000 TYR 89 0.840 20.004 7.010 0.187 -99.200 -91.000 PHE 95 1.000 21.344 11.950 12.739 -99.200 -91.000 TYR 99 0.840 17.361 14.842 14.595 -99.200 -91.000 HIS 102 0.900 18.214 19.380 16.263 -99.200 -91.000 TYR 104 0.840 26.407 25.846 12.558 -99.200 -91.000 PHE 122 1.000 51.104 29.869 22.999 -99.200 -91.000 TYR 160 0.840 53.825 46.502 35.695 -99.200 -91.000 TRP 180 1.040 48.044 42.225 14.266 -99.200 -91.000 TRP6 180 1.020 48.428 44.556 14.168 -99.200 -91.000 TYR 196 0.840 59.604 40.417 26.104 -99.200 -91.000 PHE 204 1.000 54.540 36.875 12.997 -99.200 -91.000 TYR 213 0.840 60.997 48.335 16.397 -99.200 -91.000 PHE 228 1.000 59.633 26.826 6.420 -99.200 -91.000 TYR 230 0.840 57.883 35.692 10.513 -99.200 -91.000 PHE 239 1.000 57.650 30.921 22.512 -99.200 -91.000 TRP 253 1.040 62.880 41.610 40.008 -99.200 -91.000 TRP6 253 1.020 61.757 43.276 41.246 -99.200 -91.000 TYR 258 0.840 60.286 42.160 47.801 -99.200 -91.000 TYR 277 0.840 47.523 27.681 39.288 -99.200 -91.000 PHE 280 1.000 46.055 21.060 38.805 -99.200 -91.000 TYR 282 0.840 56.894 21.270 38.454 -99.200 -91.000 TYR 286 0.840 56.775 29.032 40.449 -99.200 -91.000 TYR 287 0.840 52.317 30.067 42.452 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gb7A1 ARG 3 HA 0.06 0.03 0.12 -0.75 4.34 3.80 2gb7A1 ARG 3 HB2 0.04 -0.00 0.04 -0.04 1.90 1.94 2gb7A1 ARG 3 HB3 0.04 -0.04 -0.03 -0.04 1.80 1.73 2gb7A1 ARG 3 HG2 0.08 -0.34 -0.03 -0.04 1.67 1.34 2gb7A1 ARG 3 HG3 0.07 0.12 0.04 -0.04 1.67 1.86 2gb7A1 ARG 3 HD2 0.02 0.03 0.01 -0.04 3.22 3.24 2gb7A1 ARG 3 HD3 0.03 -0.02 -0.02 -0.04 3.22 3.18 2gb7A1 LEU 4 H 0.09 0.10 -0.08 -0.55 8.37 7.94 2gb7A1 LEU 4 HA 0.08 -0.02 0.36 -0.75 4.35 4.00 2gb7A1 LEU 4 HB2 0.03 0.02 -0.18 -0.04 1.64 1.47 2gb7A1 LEU 4 HB3 0.12 -0.07 -0.08 -0.04 1.64 1.57 2gb7A1 LEU 4 HG 0.06 0.47 0.33 -0.04 1.64 2.46 2gb7A1 LEU 4 HD13 0.09 0.02 -0.08 -0.04 0.93 0.92 2gb7A1 LEU 4 HD23 0.07 -0.05 -0.06 -0.04 0.89 0.81 2gb7A1 SER 5 H 0.09 0.12 0.12 -0.55 8.46 8.24 2gb7A1 SER 5 HA 0.14 0.19 0.52 -0.75 4.49 4.58 2gb7A1 SER 5 HB2 0.04 0.04 0.17 -0.04 3.95 4.16 2gb7A1 SER 5 HB3 0.06 0.11 0.16 -0.04 3.93 4.22 2gb7A1 PRO 6 HA -0.10 0.12 0.49 -0.51 4.44 4.43 2gb7A1 PRO 6 HB2 -0.07 0.02 0.05 -0.04 2.28 2.24 2gb7A1 PRO 6 HB3 -0.21 0.05 0.06 -0.04 2.02 1.88 2gb7A1 PRO 6 HG2 -0.12 0.08 0.11 -0.04 2.03 2.07 2gb7A1 PRO 6 HG3 -0.61 0.07 0.13 -0.04 2.03 1.57 2gb7A1 PRO 6 HD2 -0.01 0.07 0.25 -0.04 3.68 3.96 2gb7A1 PRO 6 HD3 0.06 0.21 0.28 -0.04 3.65 4.16 2gb7A1 GLY 7 H 0.01 0.15 -0.12 -0.55 8.43 7.92 2gb7A1 GLY 7 HA2 0.02 0.11 0.49 -0.51 4.01 4.12 2gb7A1 GLY 7 HA3 0.02 0.08 0.26 -0.51 4.01 3.87 2gb7A1 GLU 8 H 0.06 0.05 -0.28 -0.55 8.60 7.88 2gb7A1 GLU 8 HA 0.04 0.08 0.42 -0.75 4.29 4.07 2gb7A1 GLU 8 HB2 0.06 -0.13 0.13 -0.04 2.09 2.11 2gb7A1 GLU 8 HB3 0.10 0.10 -0.01 -0.04 1.99 2.13 2gb7A1 GLU 8 HG2 0.04 0.06 0.03 -0.04 2.34 2.43 2gb7A1 GLU 8 HG3 0.03 -0.00 0.05 -0.04 2.34 2.38 2gb7A1 PHE 9 H 0.21 0.50 -0.26 -0.55 8.34 8.25 2gb7A1 PHE 9 HA -0.01 0.09 0.50 -0.75 4.62 4.44 2gb7A1 PHE 9 HB2 0.13 0.12 -0.03 -0.04 3.15 3.33 2gb7A1 PHE 9 HB3 0.03 0.04 0.13 -0.04 3.06 3.22 2gb7A1 PHE 9 HD2 0.04 -0.02 0.03 -0.04 7.28 7.28 2gb7A1 PHE 9 HE2 0.07 0.13 -0.06 -0.04 7.38 7.47 2gb7A1 PHE 9 HZ 0.03 -0.04 -0.29 -0.04 7.32 6.98 2gb7A1 LYS 10 H 0.06 0.57 -0.08 -0.55 8.42 8.41 2gb7A1 LYS 10 HA -0.16 0.02 0.41 -0.75 4.32 3.84 2gb7A1 LYS 10 HB2 -0.00 0.11 0.22 -0.04 1.87 2.16 2gb7A1 LYS 10 HB3 -0.03 -0.03 -0.01 -0.04 1.79 1.69 2gb7A1 LYS 10 HG2 -0.04 -0.02 0.04 -0.04 1.46 1.40 2gb7A1 LYS 10 HG3 0.01 0.14 0.08 -0.04 1.46 1.65 2gb7A1 LYS 10 HD2 0.00 -0.05 -0.03 -0.04 1.69 1.58 2gb7A1 LYS 10 HD3 -0.01 -0.00 -0.00 -0.04 1.68 1.63 2gb7A1 LYS 10 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 2gb7A1 LYS 10 HE3 0.02 -0.05 -0.07 -0.04 2.99 2.85 2gb7A1 THR 11 H -0.01 0.40 -0.24 -0.55 8.28 7.88 2gb7A1 THR 11 HA -0.02 0.04 0.43 -0.75 4.39 4.08 2gb7A1 THR 11 HB -0.01 0.07 -0.03 -0.04 4.32 4.31 2gb7A1 THR 11 HG23 -0.01 -0.01 0.03 -0.04 1.22 1.19 2gb7A1 LEU 12 H -0.05 0.36 -0.29 -0.55 8.37 7.84 2gb7A1 LEU 12 HA -0.08 0.02 0.54 -0.75 4.35 4.08 2gb7A1 LEU 12 HB2 -0.07 0.08 0.17 -0.04 1.64 1.78 2gb7A1 LEU 12 HB3 -0.10 0.13 0.23 -0.04 1.64 1.85 2gb7A1 LEU 12 HG -0.28 -0.06 -0.14 -0.04 1.64 1.12 2gb7A1 LEU 12 HD13 -0.26 -0.01 0.03 -0.04 0.93 0.66 2gb7A1 LEU 12 HD23 -0.56 0.01 0.01 -0.04 0.89 0.31 2gb7A1 ILE 13 H -0.24 0.67 -0.04 -0.55 8.25 8.10 2gb7A1 ILE 13 HA -0.11 -0.01 0.37 -0.75 4.18 3.68 2gb7A1 ILE 13 HB -0.22 0.13 0.18 -0.04 1.89 1.94 2gb7A1 ILE 13 HG12 -0.50 -0.06 0.04 -0.04 1.49 0.93 2gb7A1 ILE 13 HG13 -0.92 0.12 0.07 -0.04 1.21 0.45 2gb7A1 ILE 13 HG23 0.02 -0.01 -0.04 -0.04 0.93 0.85 2gb7A1 ILE 13 HD13 -0.83 -0.03 -0.13 -0.04 0.88 -0.15 2gb7A1 SER 14 H -0.04 0.33 -0.41 -0.55 8.46 7.80 2gb7A1 SER 14 HA 0.02 -0.00 0.37 -0.75 4.49 4.13 2gb7A1 SER 14 HB2 -0.01 0.12 0.08 -0.04 3.95 4.10 2gb7A1 SER 14 HB3 -0.00 -0.05 0.05 -0.04 3.93 3.88 2gb7A1 LYS 15 H -0.01 0.40 -0.04 -0.55 8.42 8.22 2gb7A1 LYS 15 HA 0.03 0.00 0.45 -0.75 4.32 4.04 2gb7A1 LYS 15 HB2 -0.02 0.13 0.26 -0.04 1.87 2.20 2gb7A1 LYS 15 HB3 0.01 -0.03 0.00 -0.04 1.79 1.74 2gb7A1 LYS 15 HG2 0.01 -0.04 0.08 -0.04 1.46 1.47 2gb7A1 LYS 15 HG3 -0.01 0.08 0.09 -0.04 1.46 1.58 2gb7A1 LYS 15 HD2 0.00 -0.03 0.01 -0.04 1.69 1.64 2gb7A1 LYS 15 HD3 -0.01 0.01 0.02 -0.04 1.68 1.66 2gb7A1 LYS 15 HE2 0.02 0.01 0.00 -0.04 2.99 2.98 2gb7A1 LYS 15 HE3 0.01 -0.02 0.02 -0.04 2.99 2.97 2gb7A1 GLU 16 H 0.03 0.52 -0.13 -0.55 8.60 8.48 2gb7A1 GLU 16 HA 0.06 0.02 0.34 -0.75 4.29 3.96 2gb7A1 GLU 16 HB2 0.05 0.12 0.09 -0.04 2.09 2.30 2gb7A1 GLU 16 HB3 0.08 -0.02 -0.06 -0.04 1.99 1.95 2gb7A1 GLU 16 HG2 -0.08 -0.01 -0.03 -0.04 2.34 2.17 2gb7A1 GLU 16 HG3 -0.02 -0.02 -0.00 -0.04 2.34 2.26 2gb7A1 ARG 17 H 0.17 0.49 -0.11 -0.55 8.46 8.46 2gb7A1 ARG 17 HA -0.18 -0.01 0.35 -0.75 4.34 3.75 2gb7A1 ARG 17 HB2 -0.00 0.10 0.13 -0.04 1.90 2.09 2gb7A1 ARG 17 HB3 0.01 0.06 0.12 -0.04 1.80 1.95 2gb7A1 ARG 17 HG2 -0.04 0.01 -0.10 -0.04 1.67 1.50 2gb7A1 ARG 17 HG3 -0.38 -0.04 0.03 -0.04 1.67 1.24 2gb7A1 ARG 17 HD2 -0.07 0.00 -0.03 -0.04 3.22 3.08 2gb7A1 ARG 17 HD3 -0.21 -0.06 -0.02 -0.04 3.22 2.89 2gb7A1 LYS 18 H 0.07 0.45 -0.18 -0.55 8.42 8.21 2gb7A1 LYS 18 HA 0.08 0.03 0.45 -0.75 4.32 4.12 2gb7A1 LYS 18 HB2 0.04 -0.02 0.14 -0.04 1.87 2.00 2gb7A1 LYS 18 HB3 0.06 0.18 0.17 -0.04 1.79 2.16 2gb7A1 LYS 18 HG2 0.04 0.00 -0.12 -0.04 1.46 1.35 2gb7A1 LYS 18 HG3 0.05 -0.03 0.06 -0.04 1.46 1.50 2gb7A1 LYS 18 HD2 0.03 -0.03 0.03 -0.04 1.69 1.67 2gb7A1 LYS 18 HD3 0.03 0.00 0.02 -0.04 1.68 1.69 2gb7A1 LYS 18 HE2 0.02 0.00 -0.00 -0.04 2.99 2.97 2gb7A1 LYS 18 HE3 0.02 -0.02 0.01 -0.04 2.99 2.97 2gb7A1 SER 19 H 0.14 0.34 -0.18 -0.55 8.46 8.21 2gb7A1 SER 19 HA 0.06 0.04 0.36 -0.75 4.49 4.19 2gb7A1 SER 19 HB2 0.36 0.03 0.01 -0.04 3.95 4.30 2gb7A1 SER 19 HB3 0.08 -0.07 0.09 -0.04 3.93 3.99 2gb7A1 HIS 20 H 0.17 0.28 -0.37 -0.55 8.41 7.94 2gb7A1 HIS 20 HA -0.25 0.10 0.74 -0.75 4.63 4.47 2gb7A1 HIS 20 HB2 -0.30 0.09 0.07 -0.04 3.26 3.09 2gb7A1 HIS 20 HB3 -0.62 -0.09 0.02 -0.04 3.20 2.47 2gb7A1 HIS 20 HD2 0.05 -0.05 -0.03 -0.04 6.97 6.89 2gb7A1 HIS 20 HE1 0.06 -0.04 -0.05 -0.04 7.75 7.68 2gb7A1 PHE 21 H 0.09 0.46 0.01 -0.55 8.34 8.36 2gb7A1 PHE 21 HA -0.05 0.11 1.05 -0.75 4.62 4.97 2gb7A1 PHE 21 HB2 -0.04 0.09 0.10 -0.04 3.15 3.26 2gb7A1 PHE 21 HB3 0.05 0.04 -0.04 -0.04 3.06 3.08 2gb7A1 PHE 21 HD2 -0.14 0.10 0.06 -0.04 7.28 7.26 2gb7A1 PHE 21 HE2 -1.03 -0.05 -0.12 -0.04 7.38 6.13 2gb7A1 PHE 21 HZ -0.23 -0.02 -0.13 -0.04 7.32 6.90 2gb7A1 ILE 22 H 0.11 0.11 0.13 -0.55 8.25 8.05 2gb7A1 ILE 22 HA 0.10 0.11 0.63 -0.75 4.18 4.27 2gb7A1 ILE 22 HB 0.14 -0.10 0.06 -0.04 1.89 1.95 2gb7A1 ILE 22 HG12 0.12 0.04 0.09 -0.04 1.49 1.70 2gb7A1 ILE 22 HG13 0.16 0.02 -0.12 -0.04 1.21 1.22 2gb7A1 ILE 22 HG23 0.05 0.02 0.01 -0.04 0.93 0.97 2gb7A1 ILE 22 HD13 0.13 -0.02 -0.19 -0.04 0.88 0.76 2gb7A1 THR 23 H 0.14 0.08 0.16 -0.55 8.28 8.11 2gb7A1 THR 23 HA 0.10 0.20 0.32 -0.75 4.39 4.25 2gb7A1 THR 23 HB 0.11 0.03 0.16 -0.04 4.32 4.59 2gb7A1 THR 23 HG23 0.10 0.05 0.11 -0.04 1.22 1.45 2gb7A1 PRO 24 HA 0.04 0.14 0.50 -0.51 4.44 4.60 2gb7A1 PRO 24 HB2 0.07 0.00 -0.03 -0.04 2.28 2.29 2gb7A1 PRO 24 HB3 0.01 0.07 0.07 -0.04 2.02 2.14 2gb7A1 PRO 24 HG2 0.03 0.06 0.08 -0.04 2.03 2.15 2gb7A1 PRO 24 HG3 -0.01 0.07 0.10 -0.04 2.03 2.16 2gb7A1 PRO 24 HD2 0.07 0.09 0.22 -0.04 3.68 4.01 2gb7A1 PRO 24 HD3 0.04 0.23 0.17 -0.04 3.65 4.05 2gb7A1 PHE 25 H 0.19 0.17 -0.10 -0.55 8.34 8.05 2gb7A1 PHE 25 HA -0.04 0.07 0.41 -0.75 4.62 4.31 2gb7A1 PHE 25 HB2 -0.01 0.04 0.07 -0.04 3.15 3.22 2gb7A1 PHE 25 HB3 -0.06 0.01 -0.00 -0.04 3.06 2.97 2gb7A1 PHE 25 HD2 -0.53 -0.00 -0.14 -0.04 7.28 6.57 2gb7A1 PHE 25 HE2 -0.78 0.02 -0.04 -0.04 7.38 6.54 2gb7A1 PHE 25 HZ -0.52 0.02 -0.04 -0.04 7.32 6.74 2gb7A1 ALA 26 H 0.20 0.05 -0.31 -0.55 8.40 7.80 2gb7A1 ALA 26 HA 0.19 0.05 0.45 -0.75 4.34 4.28 2gb7A1 ALA 26 HB3 0.30 0.04 0.06 -0.04 1.41 1.76 2gb7A1 LEU 27 H 0.08 0.56 -0.29 -0.55 8.37 8.18 2gb7A1 LEU 27 HA 0.11 0.03 0.32 -0.75 4.35 4.06 2gb7A1 LEU 27 HB2 0.13 0.08 0.01 -0.04 1.64 1.82 2gb7A1 LEU 27 HB3 0.07 0.06 0.13 -0.04 1.64 1.85 2gb7A1 LEU 27 HG 0.09 -0.07 -0.26 -0.04 1.64 1.36 2gb7A1 LEU 27 HD13 0.14 -0.01 0.03 -0.04 0.93 1.05 2gb7A1 LEU 27 HD23 0.16 0.04 -0.06 -0.04 0.89 0.99 2gb7A1 VAL 28 H -0.06 0.57 -0.06 -0.55 8.24 8.14 2gb7A1 VAL 28 HA -0.02 0.01 0.42 -0.75 4.13 3.79 2gb7A1 VAL 28 HB -0.31 0.08 0.14 -0.04 2.12 1.99 2gb7A1 VAL 28 HG13 -0.16 -0.03 -0.30 -0.04 0.97 0.44 2gb7A1 VAL 28 HG23 -0.03 0.04 0.06 -0.04 0.95 0.98 2gb7A1 TYR 29 H -0.31 0.68 -0.11 -0.55 8.29 8.00 2gb7A1 TYR 29 HA -0.24 -0.02 0.45 -0.75 4.56 4.00 2gb7A1 TYR 29 HB2 -0.89 0.03 0.09 -0.04 3.06 2.25 2gb7A1 TYR 29 HB3 -0.16 0.09 0.13 -0.04 2.98 3.00 2gb7A1 TYR 29 HD2 -0.01 0.05 -0.13 -0.04 7.15 7.02 2gb7A1 TYR 29 HE2 0.21 -0.02 -0.02 -0.04 6.85 6.98 2gb7A1 LYS 30 H 0.19 0.70 -0.07 -0.55 8.42 8.68 2gb7A1 LYS 30 HA 0.15 -0.01 0.50 -0.75 4.32 4.21 2gb7A1 LYS 30 HB2 0.18 0.05 0.15 -0.04 1.87 2.22 2gb7A1 LYS 30 HB3 0.12 0.13 0.17 -0.04 1.79 2.17 2gb7A1 LYS 30 HG2 0.08 -0.02 -0.14 -0.04 1.46 1.34 2gb7A1 LYS 30 HG3 0.11 -0.04 0.06 -0.04 1.46 1.55 2gb7A1 LYS 30 HD2 0.12 -0.01 0.02 -0.04 1.69 1.77 2gb7A1 LYS 30 HD3 0.11 0.03 0.01 -0.04 1.68 1.79 2gb7A1 LYS 30 HE2 0.08 -0.02 0.01 -0.04 2.99 3.02 2gb7A1 LYS 30 HE3 0.08 0.01 0.01 -0.04 2.99 3.05 2gb7A1 THR 31 H 0.06 0.64 -0.15 -0.55 8.28 8.29 2gb7A1 THR 31 HA 0.05 -0.00 0.39 -0.75 4.39 4.07 2gb7A1 THR 31 HB 0.05 0.07 0.13 -0.04 4.32 4.53 2gb7A1 THR 31 HG23 0.06 -0.03 -0.10 -0.04 1.22 1.11 2gb7A1 PHE 32 H 0.12 0.80 -0.00 -0.55 8.34 8.71 2gb7A1 PHE 32 HA 0.18 -0.02 0.46 -0.75 4.62 4.48 2gb7A1 PHE 32 HB2 -0.15 0.08 0.10 -0.04 3.15 3.15 2gb7A1 PHE 32 HB3 -0.37 0.17 0.18 -0.04 3.06 3.01 2gb7A1 PHE 32 HD2 -0.21 0.00 -0.12 -0.04 7.28 6.91 2gb7A1 PHE 32 HE2 -0.63 0.02 -0.21 -0.04 7.38 6.52 2gb7A1 PHE 32 HZ -0.30 0.13 -0.16 -0.04 7.32 6.95 2gb7A1 CYS 33 H -0.04 0.61 -0.18 -0.55 8.50 8.34 2gb7A1 CYS 33 HA -0.12 -0.14 0.36 -0.75 4.58 3.93 2gb7A1 CYS 33 HB2 -0.05 0.17 0.19 -0.04 2.97 3.23 2gb7A1 CYS 33 HB3 -0.03 -0.02 0.04 -0.04 2.97 2.93 2gb7A1 ASP 34 H -0.02 0.61 0.00 -0.55 8.40 8.45 2gb7A1 ASP 34 HA -0.03 0.03 0.47 -0.75 4.63 4.35 2gb7A1 ASP 34 HB2 0.00 0.03 0.17 -0.04 2.71 2.87 2gb7A1 ASP 34 HB3 -0.01 -0.04 -0.01 -0.04 2.70 2.59 2gb7A1 LEU 35 H -0.08 0.60 -0.15 -0.55 8.37 8.20 2gb7A1 LEU 35 HA -0.19 0.07 0.53 -0.75 4.35 4.01 2gb7A1 LEU 35 HB2 -0.07 0.09 0.08 -0.04 1.64 1.69 2gb7A1 LEU 35 HB3 -0.45 -0.07 0.08 -0.04 1.64 1.16 2gb7A1 LEU 35 HG 0.01 0.09 0.03 -0.04 1.64 1.73 2gb7A1 LEU 35 HD13 0.16 -0.02 -0.12 -0.04 0.93 0.90 2gb7A1 LEU 35 HD23 -0.05 -0.01 -0.03 -0.04 0.89 0.76 2gb7A1 GLY 36 H -0.22 0.22 -0.77 -0.55 8.43 7.11 2gb7A1 GLY 36 HA2 -0.20 0.08 0.29 -0.51 4.01 3.67 2gb7A1 GLY 36 HA3 -0.26 0.06 0.28 -0.51 4.01 3.58 2gb7A1 TYR 37 H -0.46 0.62 -0.02 -0.55 8.29 7.88 2gb7A1 TYR 37 HA -0.38 0.11 0.66 -0.75 4.56 4.19 2gb7A1 TYR 37 HB2 -1.56 0.06 0.09 -0.04 3.06 1.60 2gb7A1 TYR 37 HB3 -0.86 -0.01 0.01 -0.04 2.98 2.08 2gb7A1 TYR 37 HD2 -0.33 0.02 0.03 -0.04 7.15 6.83 2gb7A1 TYR 37 HE2 -0.10 -0.03 -0.07 -0.04 6.85 6.61 2gb7A1 ASP 38 H -0.34 0.13 -0.22 -0.55 8.40 7.43 2gb7A1 ASP 38 HA -0.04 0.13 0.43 -0.75 4.63 4.40 2gb7A1 ASP 38 HB2 0.13 0.02 0.09 -0.04 2.71 2.91 2gb7A1 ASP 38 HB3 -0.12 -0.05 0.02 -0.04 2.70 2.51 2gb7A1 GLN 39 H -0.09 0.20 -0.76 -0.55 8.47 7.28 2gb7A1 GLN 39 HA 0.07 0.18 0.78 -0.75 4.36 4.64 2gb7A1 GLN 39 HB2 -0.09 0.17 0.04 -0.04 2.15 2.23 2gb7A1 GLN 39 HB3 -0.03 -0.05 0.09 -0.04 2.02 1.99 2gb7A1 GLN 39 HG2 -0.03 -0.11 -0.18 -0.04 2.40 2.04 2gb7A1 GLN 39 HG3 -0.04 -0.01 -0.02 -0.04 2.39 2.28 2gb7A1 GLN 39 HE21 0.07 -0.01 -0.08 -0.04 6.97 6.92 2gb7A1 GLN 39 HE22 0.05 -0.07 -0.18 -0.04 7.69 7.45 2gb7A1 LYS 40 H 0.05 0.32 -0.14 -0.55 8.42 8.09 2gb7A1 LYS 40 HA -0.04 0.03 0.68 -0.75 4.32 4.24 2gb7A1 LYS 40 HB2 -0.22 0.09 0.11 -0.04 1.87 1.81 2gb7A1 LYS 40 HB3 -0.27 -0.10 0.09 -0.04 1.79 1.47 2gb7A1 LYS 40 HG2 -0.29 0.01 -0.06 -0.04 1.46 1.08 2gb7A1 LYS 40 HG3 -0.40 0.03 0.08 -0.04 1.46 1.12 2gb7A1 LYS 40 HD2 -1.77 -0.04 -0.02 -0.04 1.69 -0.19 2gb7A1 LYS 40 HD3 -0.69 -0.07 0.02 -0.04 1.68 0.90 2gb7A1 LYS 40 HE2 -0.35 0.03 -0.03 -0.04 2.99 2.60 2gb7A1 LYS 40 HE3 -0.56 0.06 -0.03 -0.04 2.99 2.42 2gb7A1 ASN 41 H 0.07 0.01 0.17 -0.55 8.53 8.24 2gb7A1 ASN 41 HA 0.18 0.28 0.64 -0.75 4.76 5.11 2gb7A1 ASN 41 HB2 0.10 -0.07 0.19 -0.04 2.88 3.06 2gb7A1 ASN 41 HB3 0.08 0.11 0.12 -0.04 2.79 3.06 2gb7A1 ASN 41 HD21 0.05 -0.00 0.01 -0.04 7.03 7.05 2gb7A1 ASN 41 HD22 0.05 0.08 0.05 -0.04 7.74 7.88 2gb7A1 SER 42 H 0.15 0.15 0.17 -0.55 8.46 8.39 2gb7A1 SER 42 HA 0.34 0.40 0.32 -0.75 4.49 4.80 2gb7A1 SER 42 HB2 0.10 0.18 0.04 -0.04 3.95 4.23 2gb7A1 SER 42 HB3 0.11 0.14 0.01 -0.04 3.93 4.15 2gb7A1 ASP 43 H 0.11 0.08 -0.10 -0.55 8.40 7.94 2gb7A1 ASP 43 HA 0.06 0.10 0.40 -0.75 4.63 4.43 2gb7A1 ASP 43 HB2 0.07 -0.03 0.02 -0.04 2.71 2.73 2gb7A1 ASP 43 HB3 0.04 0.02 -0.04 -0.04 2.70 2.67 2gb7A1 TYR 44 H 0.15 0.25 -0.38 -0.55 8.29 7.75 2gb7A1 TYR 44 HA -0.08 0.02 0.47 -0.75 4.56 4.22 2gb7A1 TYR 44 HB2 -0.14 -0.06 0.08 -0.04 3.06 2.90 2gb7A1 TYR 44 HB3 -0.34 0.27 0.04 -0.04 2.98 2.91 2gb7A1 TYR 44 HD2 -0.85 0.04 -0.11 -0.04 7.15 6.19 2gb7A1 TYR 44 HE2 -0.19 -0.02 -0.06 -0.04 6.85 6.54 2gb7A1 PHE 45 H 0.13 0.40 -0.24 -0.55 8.34 8.08 2gb7A1 PHE 45 HA -0.33 -0.03 0.24 -0.75 4.62 3.74 2gb7A1 PHE 45 HB2 -0.05 0.18 -0.07 -0.04 3.15 3.17 2gb7A1 PHE 45 HB3 -0.17 0.01 -0.04 -0.04 3.06 2.81 2gb7A1 PHE 45 HD2 -0.27 0.05 -0.16 -0.04 7.28 6.86 2gb7A1 PHE 45 HE2 -0.14 0.10 -0.10 -0.04 7.38 7.20 2gb7A1 PHE 45 HZ 0.03 0.18 0.01 -0.04 7.32 7.50 2gb7A1 LEU 46 H 0.07 0.47 -0.12 -0.55 8.37 8.25 2gb7A1 LEU 46 HA 0.02 0.03 0.39 -0.75 4.35 4.03 2gb7A1 LEU 46 HB2 0.05 0.09 0.06 -0.04 1.64 1.80 2gb7A1 LEU 46 HB3 0.02 -0.00 0.10 -0.04 1.64 1.73 2gb7A1 LEU 46 HG 0.01 -0.03 -0.21 -0.04 1.64 1.37 2gb7A1 LEU 46 HD13 0.02 -0.02 -0.10 -0.04 0.93 0.78 2gb7A1 LEU 46 HD23 0.03 -0.00 -0.04 -0.04 0.89 0.84 2gb7A1 ASN 47 H -0.11 0.40 -0.35 -0.55 8.53 7.92 2gb7A1 ASN 47 HA -0.03 0.10 0.55 -0.75 4.76 4.62 2gb7A1 ASN 47 HB2 -0.08 0.16 0.11 -0.04 2.88 3.03 2gb7A1 ASN 47 HB3 -0.04 -0.09 0.03 -0.04 2.79 2.64 2gb7A1 ASN 47 HD21 0.01 -0.05 -0.01 -0.04 7.03 6.94 2gb7A1 ASN 47 HD22 0.00 0.01 -0.04 -0.04 7.74 7.67 2gb7A1 ASN 48 H -0.33 0.53 -0.10 -0.55 8.53 8.09 2gb7A1 ASN 48 HA -0.11 0.07 0.93 -0.75 4.76 4.90 2gb7A1 ASN 48 HB2 -1.02 0.14 0.13 -0.04 2.88 2.09 2gb7A1 ASN 48 HB3 -0.18 -0.17 0.18 -0.04 2.79 2.58 2gb7A1 ASN 48 HD21 -0.06 -0.02 -0.03 -0.04 7.03 6.88 2gb7A1 ASN 48 HD22 -0.61 0.26 0.16 -0.04 7.74 7.51 2gb7A1 PRO 49 HA -0.01 0.14 0.32 -0.51 4.44 4.38 2gb7A1 PRO 49 HB2 0.07 -0.10 -0.12 -0.04 2.28 2.09 2gb7A1 PRO 49 HB3 0.01 0.25 0.03 -0.04 2.02 2.27 2gb7A1 PRO 49 HG2 0.14 -0.33 -0.28 -0.04 2.03 1.51 2gb7A1 PRO 49 HG3 0.07 0.27 -0.21 -0.04 2.03 2.11 2gb7A1 PRO 49 HD2 -0.01 0.09 -0.33 -0.04 3.68 3.39 2gb7A1 PRO 49 HD3 -0.05 0.37 -0.49 -0.04 3.65 3.43 2gb7A1 SER 50 H 0.08 0.16 -0.13 -0.55 8.46 8.02 2gb7A1 SER 50 HA 0.08 0.09 0.53 -0.75 4.49 4.43 2gb7A1 SER 50 HB2 0.10 0.11 0.18 -0.04 3.95 4.30 2gb7A1 SER 50 HB3 0.12 -0.01 0.14 -0.04 3.93 4.14 2gb7A1 GLU 51 H 0.04 0.15 -0.15 -0.55 8.60 8.09 2gb7A1 GLU 51 HA 0.05 0.01 0.38 -0.75 4.29 3.98 2gb7A1 GLU 51 HB2 0.05 -0.04 0.12 -0.04 2.09 2.18 2gb7A1 GLU 51 HB3 0.05 0.20 0.13 -0.04 1.99 2.33 2gb7A1 GLU 51 HG2 0.19 0.04 -0.23 -0.04 2.34 2.31 2gb7A1 GLU 51 HG3 0.09 -0.04 0.03 -0.04 2.34 2.38 2gb7A1 TYR 52 H 0.12 0.43 -0.29 -0.55 8.29 7.99 2gb7A1 TYR 52 HA -0.01 0.06 0.35 -0.75 4.56 4.21 2gb7A1 TYR 52 HB2 -0.05 0.03 0.02 -0.04 3.06 3.01 2gb7A1 TYR 52 HB3 -0.11 0.08 0.13 -0.04 2.98 3.04 2gb7A1 TYR 52 HD2 -0.81 0.03 -0.04 -0.04 7.15 6.29 2gb7A1 TYR 52 HE2 -0.14 0.04 -0.09 -0.04 6.85 6.61 2gb7A1 ILE 53 H 0.02 0.59 -0.06 -0.55 8.25 8.25 2gb7A1 ILE 53 HA -0.36 0.04 0.33 -0.75 4.18 3.44 2gb7A1 ILE 53 HB -0.14 0.01 0.22 -0.04 1.89 1.94 2gb7A1 ILE 53 HG12 -0.14 -0.02 -0.06 -0.04 1.49 1.23 2gb7A1 ILE 53 HG13 0.04 0.10 0.03 -0.04 1.21 1.34 2gb7A1 ILE 53 HG23 -0.03 -0.02 -0.15 -0.04 0.93 0.69 2gb7A1 ILE 53 HD13 -0.98 -0.04 -0.12 -0.04 0.88 -0.30 2gb7A1 ILE 54 H -0.03 0.65 -0.03 -0.55 8.25 8.28 2gb7A1 ILE 54 HA -0.04 -0.01 0.47 -0.75 4.18 3.85 2gb7A1 ILE 54 HB 0.01 0.09 0.13 -0.04 1.89 2.08 2gb7A1 ILE 54 HG12 0.00 -0.01 0.06 -0.04 1.49 1.50 2gb7A1 ILE 54 HG13 0.02 0.03 0.10 -0.04 1.21 1.32 2gb7A1 ILE 54 HG23 -0.00 -0.00 -0.07 -0.04 0.93 0.81 2gb7A1 ILE 54 HD13 0.04 -0.04 -0.02 -0.04 0.88 0.81 2gb7A1 ALA 55 H -0.02 0.58 -0.14 -0.55 8.40 8.27 2gb7A1 ALA 55 HA 0.02 0.01 0.53 -0.75 4.34 4.14 2gb7A1 ALA 55 HB3 0.10 0.02 0.11 -0.04 1.41 1.59 2gb7A1 MET 56 H -0.23 0.66 -0.08 -0.55 8.47 8.26 2gb7A1 MET 56 HA -0.05 0.03 0.42 -0.75 4.52 4.17 2gb7A1 MET 56 HB2 -0.38 0.09 0.17 -0.04 2.15 1.98 2gb7A1 MET 56 HB3 -0.18 -0.07 -0.02 -0.04 2.03 1.72 2gb7A1 MET 56 HG2 -0.86 0.13 0.05 -0.04 2.63 1.91 2gb7A1 MET 56 HG3 -1.10 -0.03 -0.04 -0.04 2.56 1.35 2gb7A1 MET 56 HE3 0.05 0.01 -0.00 -0.04 2.10 2.12 2gb7A1 ARG 57 H -0.08 0.60 -0.11 -0.55 8.46 8.31 2gb7A1 ARG 57 HA 0.00 -0.01 0.37 -0.75 4.34 3.95 2gb7A1 ARG 57 HB2 -0.05 0.12 0.23 -0.04 1.90 2.16 2gb7A1 ARG 57 HB3 -0.07 -0.05 0.02 -0.04 1.80 1.66 2gb7A1 ARG 57 HG2 -0.03 0.03 0.05 -0.04 1.67 1.67 2gb7A1 ARG 57 HG3 -0.08 -0.06 -0.01 -0.04 1.67 1.47 2gb7A1 ARG 57 HD2 -0.06 -0.01 0.02 -0.04 3.22 3.13 2gb7A1 ARG 57 HD3 -0.11 -0.03 -0.01 -0.04 3.22 3.03 2gb7A1 LYS 58 H 0.01 0.58 -0.08 -0.55 8.42 8.38 2gb7A1 LYS 58 HA 0.09 -0.03 0.40 -0.75 4.32 4.03 2gb7A1 LYS 58 HB2 0.03 0.17 0.25 -0.04 1.87 2.28 2gb7A1 LYS 58 HB3 0.05 -0.01 -0.03 -0.04 1.79 1.76 2gb7A1 LYS 58 HG2 0.03 -0.07 0.08 -0.04 1.46 1.46 2gb7A1 LYS 58 HG3 0.02 0.03 0.04 -0.04 1.46 1.50 2gb7A1 LYS 58 HD2 0.05 -0.03 0.02 -0.04 1.69 1.69 2gb7A1 LYS 58 HD3 0.03 -0.03 0.01 -0.04 1.68 1.64 2gb7A1 LYS 58 HE2 0.02 -0.01 0.00 -0.04 2.99 2.97 2gb7A1 LYS 58 HE3 0.04 0.05 -0.02 -0.04 2.99 3.01 2gb7A1 ASN 59 H 0.06 0.50 -0.25 -0.55 8.53 8.28 2gb7A1 ASN 59 HA 0.08 0.03 0.47 -0.75 4.76 4.58 2gb7A1 ASN 59 HB2 0.05 0.15 0.14 -0.04 2.88 3.18 2gb7A1 ASN 59 HB3 0.05 -0.03 0.01 -0.04 2.79 2.78 2gb7A1 ASN 59 HD21 0.03 -0.07 0.02 -0.04 7.03 6.96 2gb7A1 ASN 59 HD22 0.04 0.52 0.13 -0.04 7.74 8.39 2gb7A1 CYS 60 H 0.09 0.72 0.05 -0.55 8.50 8.81 2gb7A1 CYS 60 HA 0.12 0.05 0.51 -0.75 4.58 4.51 2gb7A1 CYS 60 HB2 0.10 0.09 0.12 -0.04 2.97 3.25 2gb7A1 CYS 60 HB3 0.12 -0.06 -0.06 -0.04 2.97 2.93 2gb7A1 TRP 61 H 0.32 0.50 -0.26 -0.55 7.97 7.98 2gb7A1 TRP 61 HA 0.13 0.00 0.39 -0.75 4.62 4.38 2gb7A1 TRP 61 HB2 0.02 0.09 0.12 -0.04 3.23 3.43 2gb7A1 TRP 61 HB3 0.04 0.14 0.14 -0.04 3.23 3.51 2gb7A1 TRP 61 HD1 0.04 0.04 -0.04 -0.04 7.22 7.21 2gb7A1 TRP 61 HE1 0.05 -0.00 -0.02 -0.04 10.20 10.19 2gb7A1 TRP 61 HE3 0.01 0.02 -0.02 -0.04 7.59 7.57 2gb7A1 TRP 61 HZ2 0.09 0.00 -0.01 -0.04 7.44 7.48 2gb7A1 TRP 61 HZ3 -0.10 0.01 -0.02 -0.04 7.13 6.98 2gb7A1 TRP 61 HH2 0.15 0.00 -0.02 -0.04 7.19 7.29 2gb7A1 LYS 62 H 0.19 0.49 -0.01 -0.55 8.42 8.53 2gb7A1 LYS 62 HA -0.05 -0.02 0.50 -0.75 4.32 3.99 2gb7A1 LYS 62 HB2 0.08 0.12 0.22 -0.04 1.87 2.25 2gb7A1 LYS 62 HB3 0.06 0.17 0.17 -0.04 1.79 2.15 2gb7A1 LYS 62 HG2 0.00 0.01 -0.05 -0.04 1.46 1.38 2gb7A1 LYS 62 HG3 0.01 -0.06 0.08 -0.04 1.46 1.45 2gb7A1 LYS 62 HD2 0.01 -0.03 0.01 -0.04 1.69 1.64 2gb7A1 LYS 62 HD3 0.04 0.00 0.01 -0.04 1.68 1.69 2gb7A1 LYS 62 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.93 2gb7A1 LYS 62 HE3 0.03 0.05 0.03 -0.04 2.99 3.07 2gb7A1 GLU 63 H 0.09 0.47 -0.34 -0.55 8.60 8.28 2gb7A1 GLU 63 HA 0.05 0.04 0.43 -0.75 4.29 4.06 2gb7A1 GLU 63 HB2 0.08 -0.05 0.08 -0.04 2.09 2.16 2gb7A1 GLU 63 HB3 0.11 0.13 0.17 -0.04 1.99 2.37 2gb7A1 GLU 63 HG2 0.13 -0.03 0.02 -0.04 2.34 2.43 2gb7A1 GLU 63 HG3 0.18 -0.00 0.15 -0.04 2.34 2.63 2gb7A1 PHE 64 H 0.09 0.24 -0.50 -0.55 8.34 7.61 2gb7A1 PHE 64 HA 0.11 0.17 1.00 -0.75 4.62 5.15 2gb7A1 PHE 64 HB2 0.05 0.04 0.01 -0.04 3.15 3.21 2gb7A1 PHE 64 HB3 -0.15 0.03 0.17 -0.04 3.06 3.07 2gb7A1 PHE 64 HD2 -0.36 0.04 -0.05 -0.04 7.28 6.87 2gb7A1 PHE 64 HE2 -0.34 0.01 -0.05 -0.04 7.38 6.95 2gb7A1 PHE 64 HZ -0.26 -0.01 -0.05 -0.04 7.32 6.96 2gb7A1 GLU 65 H -0.40 0.83 0.23 -0.55 8.60 8.71 2gb7A1 GLU 65 HA -0.63 -0.05 0.34 -0.75 4.29 3.20 2gb7A1 GLU 65 HB2 -1.37 -0.04 0.12 -0.04 2.09 0.76 2gb7A1 GLU 65 HB3 -0.56 0.14 0.17 -0.04 1.99 1.70 2gb7A1 GLU 65 HG2 -0.22 -0.01 -0.02 -0.04 2.34 2.05 2gb7A1 GLU 65 HG3 -0.23 0.02 -0.24 -0.04 2.34 1.85 2gb7A1 PRO 66 HA -0.17 0.02 0.47 -0.51 4.44 4.24 2gb7A1 PRO 66 HB2 -0.37 0.06 -0.01 -0.04 2.28 1.93 2gb7A1 PRO 66 HB3 -0.23 -0.00 0.09 -0.04 2.02 1.84 2gb7A1 PRO 66 HG2 -0.15 0.13 0.10 -0.04 2.03 2.07 2gb7A1 PRO 66 HG3 -0.15 -0.04 0.10 -0.04 2.03 1.90 2gb7A1 PRO 66 HD2 -0.15 0.10 -0.23 -0.04 3.68 3.35 2gb7A1 PRO 66 HD3 -0.22 0.08 0.20 -0.04 3.65 3.67 2gb7A1 PHE 67 H -0.10 0.29 -0.37 -0.55 8.34 7.61 2gb7A1 PHE 67 HA -0.07 0.02 0.59 -0.75 4.62 4.41 2gb7A1 PHE 67 HB2 -0.06 0.14 0.12 -0.04 3.15 3.31 2gb7A1 PHE 67 HB3 -0.13 0.02 0.05 -0.04 3.06 2.95 2gb7A1 PHE 67 HD2 -0.05 0.02 0.07 -0.04 7.28 7.27 2gb7A1 PHE 67 HE2 -0.04 -0.02 0.01 -0.04 7.38 7.29 2gb7A1 PHE 67 HZ -0.05 -0.02 0.01 -0.04 7.32 7.22 2gb7A1 GLU 68 H -0.37 0.59 -0.00 -0.55 8.60 8.27 2gb7A1 GLU 68 HA 0.21 0.05 0.59 -0.75 4.29 4.38 2gb7A1 GLU 68 HB2 -1.16 0.04 0.05 -0.04 2.09 0.98 2gb7A1 GLU 68 HB3 -0.36 0.09 0.08 -0.04 1.99 1.76 2gb7A1 GLU 68 HG2 0.05 -0.06 -0.05 -0.04 2.34 2.24 2gb7A1 GLU 68 HG3 -0.08 -0.00 0.03 -0.04 2.34 2.24 2gb7A1 LYS 69 H -0.09 0.53 -0.19 -0.55 8.42 8.12 2gb7A1 LYS 69 HA 0.02 -0.00 0.41 -0.75 4.32 3.99 2gb7A1 LYS 69 HB2 -0.08 0.16 0.20 -0.04 1.87 2.11 2gb7A1 LYS 69 HB3 -0.03 -0.02 -0.04 -0.04 1.79 1.66 2gb7A1 LYS 69 HG2 -0.00 -0.05 0.04 -0.04 1.46 1.40 2gb7A1 LYS 69 HG3 -0.05 0.04 0.01 -0.04 1.46 1.41 2gb7A1 LYS 69 HD2 -0.04 0.01 -0.01 -0.04 1.69 1.61 2gb7A1 LYS 69 HD3 -0.02 -0.02 -0.01 -0.04 1.68 1.59 2gb7A1 LYS 69 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 2gb7A1 LYS 69 HE3 -0.00 -0.00 -0.02 -0.04 2.99 2.92 2gb7A1 GLU 70 H 0.05 0.44 -0.13 -0.55 8.60 8.41 2gb7A1 GLU 70 HA 0.03 0.02 0.41 -0.75 4.29 4.00 2gb7A1 GLU 70 HB2 0.22 0.13 0.17 -0.04 2.09 2.57 2gb7A1 GLU 70 HB3 0.14 -0.03 -0.03 -0.04 1.99 2.03 2gb7A1 GLU 70 HG2 -0.02 -0.06 0.04 -0.04 2.34 2.25 2gb7A1 GLU 70 HG3 -0.10 0.22 0.10 -0.04 2.34 2.52 2gb7A1 PHE 71 H 0.30 0.51 -0.19 -0.55 8.34 8.40 2gb7A1 PHE 71 HA 0.06 0.02 0.37 -0.75 4.62 4.31 2gb7A1 PHE 71 HB2 0.13 0.13 0.13 -0.04 3.15 3.50 2gb7A1 PHE 71 HB3 0.22 0.11 0.18 -0.04 3.06 3.53 2gb7A1 PHE 71 HD2 -0.02 0.03 -0.09 -0.04 7.28 7.15 2gb7A1 PHE 71 HE2 -0.13 -0.04 -0.21 -0.04 7.38 6.96 2gb7A1 PHE 71 HZ -0.02 0.18 0.05 -0.04 7.32 7.49 2gb7A1 THR 72 H 0.18 0.49 -0.27 -0.55 8.28 8.14 2gb7A1 THR 72 HA -0.02 -0.00 0.34 -0.75 4.39 3.95 2gb7A1 THR 72 HB 0.08 0.16 0.14 -0.04 4.32 4.65 2gb7A1 THR 72 HG23 0.08 -0.03 -0.11 -0.04 1.22 1.12 2gb7A1 THR 73 H 0.02 0.41 -0.19 -0.55 8.28 7.97 2gb7A1 THR 73 HA -0.00 -0.02 0.37 -0.75 4.39 3.98 2gb7A1 THR 73 HB -0.01 0.14 0.17 -0.04 4.32 4.58 2gb7A1 THR 73 HG23 -0.04 -0.02 -0.05 -0.04 1.22 1.07 2gb7A1 ARG 74 H -0.05 0.51 -0.21 -0.55 8.46 8.16 2gb7A1 ARG 74 HA -0.10 -0.00 0.37 -0.75 4.34 3.86 2gb7A1 ARG 74 HB2 -0.01 0.03 0.09 -0.04 1.90 1.98 2gb7A1 ARG 74 HB3 -0.16 0.13 0.13 -0.04 1.80 1.85 2gb7A1 ARG 74 HG2 0.06 -0.01 -0.20 -0.04 1.67 1.47 2gb7A1 ARG 74 HG3 -0.07 -0.04 0.02 -0.04 1.67 1.54 2gb7A1 ARG 74 HD2 0.10 0.02 -0.03 -0.04 3.22 3.28 2gb7A1 ARG 74 HD3 0.18 -0.02 -0.04 -0.04 3.22 3.30 2gb7A1 MET 75 H -0.20 0.55 -0.11 -0.55 8.47 8.16 2gb7A1 MET 75 HA 0.30 0.01 0.37 -0.75 4.52 4.45 2gb7A1 MET 75 HB2 -0.10 0.10 0.17 -0.04 2.15 2.28 2gb7A1 MET 75 HB3 0.02 -0.08 0.02 -0.04 2.03 1.95 2gb7A1 MET 75 HG2 -1.20 0.26 0.04 -0.04 2.63 1.68 2gb7A1 MET 75 HG3 -0.51 -0.07 0.02 -0.04 2.56 1.97 2gb7A1 MET 75 HE3 -0.23 0.00 -0.15 -0.04 2.10 1.68 2gb7A1 LEU 76 H 0.07 0.61 -0.07 -0.55 8.37 8.44 2gb7A1 LEU 76 HA 0.13 -0.03 0.39 -0.75 4.35 4.09 2gb7A1 LEU 76 HB2 0.04 0.15 0.10 -0.04 1.64 1.89 2gb7A1 LEU 76 HB3 0.13 -0.07 0.01 -0.04 1.64 1.66 2gb7A1 LEU 76 HG 0.13 0.14 0.05 -0.04 1.64 1.92 2gb7A1 LEU 76 HD13 0.10 -0.02 -0.07 -0.04 0.93 0.90 2gb7A1 LEU 76 HD23 0.20 -0.02 -0.03 -0.04 0.89 1.00 2gb7A1 SER 77 H -0.06 0.47 -0.38 -0.55 8.46 7.95 2gb7A1 SER 77 HA -0.13 -0.05 0.45 -0.75 4.49 4.00 2gb7A1 SER 77 HB2 -0.34 0.15 0.09 -0.04 3.95 3.80 2gb7A1 SER 77 HB3 -0.19 -0.10 0.10 -0.04 3.93 3.70 2gb7A1 TYR 78 H 0.07 0.45 -0.33 -0.55 8.29 7.93 2gb7A1 TYR 78 HA -0.03 0.07 0.47 -0.75 4.56 4.32 2gb7A1 TYR 78 HB2 0.09 0.11 0.13 -0.04 3.06 3.36 2gb7A1 TYR 78 HB3 0.03 -0.04 0.08 -0.04 2.98 3.00 2gb7A1 TYR 78 HD2 0.05 0.07 0.11 -0.04 7.15 7.34 2gb7A1 TYR 78 HE2 -0.02 -0.05 -0.10 -0.04 6.85 6.64 2gb7A1 LEU 79 H -0.11 0.35 -0.32 -0.55 8.37 7.74 2gb7A1 LEU 79 HA -0.36 0.06 0.40 -0.75 4.35 3.70 2gb7A1 LEU 79 HB2 -0.22 0.14 0.07 -0.04 1.64 1.59 2gb7A1 LEU 79 HB3 -1.58 -0.10 0.06 -0.04 1.64 -0.03 2gb7A1 LEU 79 HG -0.49 0.09 0.06 -0.04 1.64 1.26 2gb7A1 LEU 79 HD13 -0.51 -0.03 -0.02 -0.04 0.93 0.32 2gb7A1 LEU 79 HD23 -1.02 -0.02 -0.09 -0.04 0.89 -0.27 2gb7A1 ILE 80 H -0.09 0.31 -0.26 -0.55 8.25 7.66 2gb7A1 ILE 80 HA 0.03 -0.03 0.30 -0.75 4.18 3.73 2gb7A1 ILE 80 HB -0.10 0.05 0.08 -0.04 1.89 1.89 2gb7A1 ILE 80 HG12 -0.35 -0.04 -0.04 -0.04 1.49 1.02 2gb7A1 ILE 80 HG13 -0.14 0.14 0.12 -0.04 1.21 1.28 2gb7A1 ILE 80 HG23 -0.11 -0.03 -0.13 -0.04 0.93 0.62 2gb7A1 ILE 80 HD13 -0.21 -0.02 -0.03 -0.04 0.88 0.59 2gb7A1 ASP 81 H 0.08 0.13 0.14 -0.55 8.40 8.20 2gb7A1 ASP 81 HA 0.03 0.18 0.69 -0.75 4.63 4.77 2gb7A1 ASP 81 HB2 0.11 0.24 0.05 -0.04 2.71 3.07 2gb7A1 ASP 81 HB3 0.10 -0.05 0.22 -0.04 2.70 2.93 2gb7A1 GLU 82 H 0.00 0.33 0.15 -0.55 8.60 8.54 2gb7A1 GLU 82 HA -0.01 0.06 0.24 -0.75 4.29 3.83 2gb7A1 GLU 82 HB2 -0.00 -0.00 0.15 -0.04 2.09 2.19 2gb7A1 GLU 82 HB3 -0.01 0.01 0.01 -0.04 1.99 1.97 2gb7A1 GLU 82 HG2 -0.02 -0.01 0.00 -0.04 2.34 2.27 2gb7A1 GLU 82 HG3 -0.02 0.09 0.03 -0.04 2.34 2.41 2gb7A1 GLU 83 H 0.01 0.11 -0.12 -0.55 8.60 8.06 2gb7A1 GLU 83 HA 0.01 0.09 0.34 -0.75 4.29 3.98 2gb7A1 GLU 83 HB2 0.01 -0.00 0.06 -0.04 2.09 2.13 2gb7A1 GLU 83 HB3 0.01 0.05 0.02 -0.04 1.99 2.03 2gb7A1 GLU 83 HG2 0.01 0.02 0.02 -0.04 2.34 2.35 2gb7A1 GLU 83 HG3 0.01 -0.06 0.05 -0.04 2.34 2.29 2gb7A1 ARG 84 H 0.02 0.07 -0.24 -0.55 8.46 7.76 2gb7A1 ARG 84 HA 0.01 0.08 0.46 -0.75 4.34 4.14 2gb7A1 ARG 84 HB2 0.03 -0.04 0.10 -0.04 1.90 1.94 2gb7A1 ARG 84 HB3 0.05 0.09 0.12 -0.04 1.80 2.02 2gb7A1 ARG 84 HG2 0.02 -0.00 -0.10 -0.04 1.67 1.54 2gb7A1 ARG 84 HG3 0.01 -0.00 0.08 -0.04 1.67 1.71 2gb7A1 ARG 84 HD2 -0.00 -0.01 0.03 -0.04 3.22 3.19 2gb7A1 ARG 84 HD3 0.02 0.02 0.02 -0.04 3.22 3.24 2gb7A1 ILE 85 H 0.02 0.33 -0.25 -0.55 8.25 7.80 2gb7A1 ILE 85 HA 0.02 0.13 0.46 -0.75 4.18 4.04 2gb7A1 ILE 85 HB 0.01 -0.10 0.07 -0.04 1.89 1.83 2gb7A1 ILE 85 HG12 0.01 0.20 0.01 -0.04 1.49 1.67 2gb7A1 ILE 85 HG13 -0.00 -0.01 -0.29 -0.04 1.21 0.87 2gb7A1 ILE 85 HG23 0.05 0.02 -0.03 -0.04 0.93 0.93 2gb7A1 ILE 85 HD13 -0.02 -0.04 -0.14 -0.04 0.88 0.64 2gb7A1 LYS 86 H 0.01 0.27 -0.21 -0.55 8.42 7.94 2gb7A1 LYS 86 HA 0.00 -0.06 0.45 -0.75 4.32 3.96 2gb7A1 LYS 86 HB2 0.00 -0.07 0.05 -0.04 1.87 1.81 2gb7A1 LYS 86 HB3 0.00 0.14 0.13 -0.04 1.79 2.03 2gb7A1 LYS 86 HG2 0.01 0.34 0.16 -0.04 1.46 1.92 2gb7A1 LYS 86 HG3 0.00 -0.03 0.04 -0.04 1.46 1.43 2gb7A1 LYS 86 HD2 0.00 -0.05 -0.01 -0.04 1.69 1.59 2gb7A1 LYS 86 HD3 0.00 -0.08 0.02 -0.04 1.68 1.58 2gb7A1 LYS 86 HE2 0.00 0.11 0.06 -0.04 2.99 3.12 2gb7A1 LYS 86 HE3 0.00 -0.03 0.00 -0.04 2.99 2.92 2gb7A1 ASP 87 H 0.00 0.12 0.24 -0.55 8.40 8.21 2gb7A1 ASP 87 HA 0.01 -0.03 0.33 -0.75 4.63 4.19 2gb7A1 ASP 87 HB2 0.01 0.36 0.38 -0.04 2.71 3.42 2gb7A1 ASP 87 HB3 0.01 -0.08 0.20 -0.04 2.70 2.78 2gb7A1 MET 88 H 0.01 0.54 -0.25 -0.55 8.47 8.22 2gb7A1 MET 88 HA 0.02 0.05 0.73 -0.75 4.52 4.57 2gb7A1 MET 88 HB2 0.01 0.31 0.14 -0.04 2.15 2.57 2gb7A1 MET 88 HB3 0.01 -0.06 -0.03 -0.04 2.03 1.91 2gb7A1 MET 88 HG2 0.01 -0.07 0.01 -0.04 2.63 2.54 2gb7A1 MET 88 HG3 0.01 0.14 -0.05 -0.04 2.56 2.61 2gb7A1 MET 88 HE3 0.01 0.02 -0.04 -0.04 2.10 2.05 2gb7A1 SER 89 H 0.03 0.10 0.13 -0.55 8.46 8.18 2gb7A1 SER 89 HA 0.03 0.22 0.68 -0.75 4.49 4.66 2gb7A1 SER 89 HB2 0.06 0.07 0.16 -0.04 3.95 4.19 2gb7A1 SER 89 HB3 0.05 0.11 0.16 -0.04 3.93 4.21 2gb7A1 PRO 90 HA 0.01 0.13 0.38 -0.51 4.44 4.46 2gb7A1 PRO 90 HB2 0.05 0.01 0.03 -0.04 2.28 2.33 2gb7A1 PRO 90 HB3 0.01 0.08 0.09 -0.04 2.02 2.16 2gb7A1 PRO 90 HG2 0.02 0.06 0.10 -0.04 2.03 2.18 2gb7A1 PRO 90 HG3 0.01 0.11 0.11 -0.04 2.03 2.22 2gb7A1 PRO 90 HD2 0.05 0.05 0.23 -0.04 3.68 3.96 2gb7A1 PRO 90 HD3 0.03 0.24 0.27 -0.04 3.65 4.14 2gb7A1 TYR 91 H 0.16 0.14 -0.13 -0.55 8.29 7.91 2gb7A1 TYR 91 HA 0.01 0.11 0.52 -0.75 4.56 4.45 2gb7A1 TYR 91 HB2 0.01 0.05 0.08 -0.04 3.06 3.16 2gb7A1 TYR 91 HB3 0.01 -0.04 0.07 -0.04 2.98 2.97 2gb7A1 TYR 91 HD2 0.01 -0.01 -0.07 -0.04 7.15 7.04 2gb7A1 TYR 91 HE2 0.01 0.03 -0.04 -0.04 6.85 6.81 2gb7A1 ASP 92 H 0.12 0.04 -0.24 -0.55 8.40 7.78 2gb7A1 ASP 92 HA -0.15 0.06 0.51 -0.75 4.63 4.29 2gb7A1 ASP 92 HB2 0.05 -0.03 0.16 -0.04 2.71 2.85 2gb7A1 ASP 92 HB3 0.02 0.06 0.03 -0.04 2.70 2.77 2gb7A1 ALA 93 H -0.00 0.72 -0.14 -0.55 8.40 8.43 2gb7A1 ALA 93 HA 0.01 0.04 0.53 -0.75 4.34 4.17 2gb7A1 ALA 93 HB3 -0.01 0.04 0.04 -0.04 1.41 1.44 2gb7A1 ILE 94 H -0.07 0.43 -0.18 -0.55 8.25 7.88 2gb7A1 ILE 94 HA 0.01 0.06 0.45 -0.75 4.18 3.95 2gb7A1 ILE 94 HB -0.09 0.04 0.16 -0.04 1.89 1.96 2gb7A1 ILE 94 HG12 -0.08 -0.02 -0.00 -0.04 1.49 1.35 2gb7A1 ILE 94 HG13 -0.05 0.12 0.07 -0.04 1.21 1.31 2gb7A1 ILE 94 HG23 0.00 -0.01 -0.12 -0.04 0.93 0.76 2gb7A1 ILE 94 HD13 -0.01 -0.02 -0.01 -0.04 0.88 0.79 2gb7A1 ARG 95 H -0.29 0.58 0.03 -0.55 8.46 8.24 2gb7A1 ARG 95 HA -0.11 0.00 0.41 -0.75 4.34 3.89 2gb7A1 ARG 95 HB2 -0.28 0.04 0.19 -0.04 1.90 1.81 2gb7A1 ARG 95 HB3 -0.14 -0.01 -0.02 -0.04 1.80 1.59 2gb7A1 ARG 95 HG2 -0.77 0.01 0.08 -0.04 1.67 0.95 2gb7A1 ARG 95 HG3 -0.94 -0.05 -0.02 -0.04 1.67 0.62 2gb7A1 ARG 95 HD2 -0.11 -0.01 0.02 -0.04 3.22 3.09 2gb7A1 ARG 95 HD3 -0.06 -0.02 -0.00 -0.04 3.22 3.10 2gb7A1 ASP 96 H -0.05 0.72 -0.19 -0.55 8.40 8.34 2gb7A1 ASP 96 HA -0.02 -0.02 0.40 -0.75 4.63 4.24 2gb7A1 ASP 96 HB2 -0.00 0.03 0.12 -0.04 2.71 2.82 2gb7A1 ASP 96 HB3 0.04 0.10 0.16 -0.04 2.70 2.97 2gb7A1 PHE 97 H 0.18 0.63 -0.10 -0.55 8.34 8.50 2gb7A1 PHE 97 HA 0.16 -0.03 0.45 -0.75 4.62 4.45 2gb7A1 PHE 97 HB2 0.02 0.08 0.15 -0.04 3.15 3.36 2gb7A1 PHE 97 HB3 0.00 0.11 0.15 -0.04 3.06 3.28 2gb7A1 PHE 97 HD2 0.02 0.01 -0.10 -0.04 7.28 7.16 2gb7A1 PHE 97 HE2 -0.23 -0.01 -0.15 -0.04 7.38 6.95 2gb7A1 PHE 97 HZ -0.20 0.04 -0.02 -0.04 7.32 7.10 2gb7A1 THR 98 H 0.11 0.66 -0.13 -0.55 8.28 8.37 2gb7A1 THR 98 HA 0.02 0.00 0.52 -0.75 4.39 4.18 2gb7A1 THR 98 HB 0.04 -0.07 0.10 -0.04 4.32 4.35 2gb7A1 THR 98 HG23 0.10 0.04 -0.03 -0.04 1.22 1.29 2gb7A1 MET 99 H -0.03 0.40 -0.28 -0.55 8.47 8.02 2gb7A1 MET 99 HA -0.04 0.08 0.82 -0.75 4.52 4.63 2gb7A1 MET 99 HB2 -0.05 0.08 0.18 -0.04 2.15 2.32 2gb7A1 MET 99 HB3 -0.05 -0.07 0.04 -0.04 2.03 1.91 2gb7A1 MET 99 HG2 -0.02 -0.05 -0.04 -0.04 2.63 2.48 2gb7A1 MET 99 HG3 -0.03 0.32 -0.03 -0.04 2.56 2.78 2gb7A1 MET 99 HE3 -0.01 -0.01 0.00 -0.04 2.10 2.04 2gb7A1 GLU 100 H -0.13 0.70 0.20 -0.55 8.60 8.82 2gb7A1 GLU 100 HA -0.25 0.05 0.52 -0.75 4.29 3.86 2gb7A1 GLU 100 HB2 -0.24 -0.01 0.11 -0.04 2.09 1.90 2gb7A1 GLU 100 HB3 -0.48 0.04 0.09 -0.04 1.99 1.60 2gb7A1 GLU 100 HG2 -0.77 -0.00 -0.00 -0.04 2.34 1.53 2gb7A1 GLU 100 HG3 -1.14 -0.04 -0.00 -0.04 2.34 1.12 2gb7A1 TYR 101 H -0.19 0.33 -0.18 -0.55 8.29 7.70 2gb7A1 TYR 101 HA -0.17 0.19 1.12 -0.75 4.56 4.94 2gb7A1 TYR 101 HB2 -0.87 0.26 0.12 -0.04 3.06 2.52 2gb7A1 TYR 101 HB3 -0.50 -0.20 0.22 -0.04 2.98 2.46 2gb7A1 TYR 101 HD2 -1.18 -0.03 0.06 -0.04 7.15 5.95 2gb7A1 TYR 101 HE2 -0.28 -0.02 0.01 -0.04 6.85 6.53 2gb7A1 PRO 102 HA 0.05 0.05 0.31 -0.51 4.44 4.34 2gb7A1 PRO 102 HB2 0.03 -0.03 0.05 -0.04 2.28 2.29 2gb7A1 PRO 102 HB3 0.02 0.20 0.15 -0.04 2.02 2.34 2gb7A1 PRO 102 HG2 0.01 -0.06 -0.02 -0.04 2.03 1.91 2gb7A1 PRO 102 HG3 -0.01 0.13 0.06 -0.04 2.03 2.17 2gb7A1 PRO 102 HD2 -0.05 0.20 -0.45 -0.04 3.68 3.35 2gb7A1 PRO 102 HD3 -0.06 0.13 -0.51 -0.04 3.65 3.17 2gb7A1 THR 103 H 0.14 0.16 -0.44 -0.55 8.28 7.59 2gb7A1 THR 103 HA 0.15 0.14 0.68 -0.75 4.39 4.59 2gb7A1 THR 103 HB 0.09 -0.00 0.08 -0.04 4.32 4.45 2gb7A1 THR 103 HG23 0.02 0.00 -0.14 -0.04 1.22 1.06 2gb7A1 HIS 104 H 0.46 0.15 0.01 -0.55 8.41 8.48 2gb7A1 HIS 104 HA 0.28 0.02 0.51 -0.75 4.63 4.68 2gb7A1 HIS 104 HB2 -0.02 0.12 0.18 -0.04 3.26 3.49 2gb7A1 HIS 104 HB3 -0.27 0.04 0.04 -0.04 3.20 2.96 2gb7A1 HIS 104 HD2 -0.16 0.06 -0.05 -0.04 6.97 6.78 2gb7A1 HIS 104 HE1 -0.02 0.05 0.12 -0.04 7.75 7.85 2gb7A1 ILE 105 H 0.18 0.64 -0.10 -0.55 8.25 8.42 2gb7A1 ILE 105 HA 0.20 0.03 0.36 -0.75 4.18 4.02 2gb7A1 ILE 105 HB 0.12 0.03 0.08 -0.04 1.89 2.07 2gb7A1 ILE 105 HG12 0.06 -0.03 -0.01 -0.04 1.49 1.47 2gb7A1 ILE 105 HG13 -0.06 0.18 0.04 -0.04 1.21 1.34 2gb7A1 ILE 105 HG23 0.13 -0.01 -0.12 -0.04 0.93 0.90 2gb7A1 ILE 105 HD13 -0.07 -0.00 -0.12 -0.04 0.88 0.64 2gb7A1 TYR 106 H 0.25 0.55 -0.13 -0.55 8.29 8.41 2gb7A1 TYR 106 HA 0.07 -0.02 0.54 -0.75 4.56 4.39 2gb7A1 TYR 106 HB2 0.05 0.06 0.21 -0.04 3.06 3.34 2gb7A1 TYR 106 HB3 0.06 0.10 0.27 -0.04 2.98 3.37 2gb7A1 TYR 106 HD2 0.04 0.02 -0.01 -0.04 7.15 7.16 2gb7A1 TYR 106 HE2 0.03 -0.01 -0.02 -0.04 6.85 6.81 2gb7A1 ASP 107 H 0.18 0.63 -0.28 -0.55 8.40 8.38 2gb7A1 ASP 107 HA -0.16 -0.04 0.31 -0.75 4.63 3.99 2gb7A1 ASP 107 HB2 0.15 0.10 0.21 -0.04 2.71 3.13 2gb7A1 ASP 107 HB3 0.02 -0.06 0.03 -0.04 2.70 2.64 2gb7A1 LEU 108 H 0.14 0.67 0.00 -0.55 8.37 8.64 2gb7A1 LEU 108 HA -0.07 0.01 0.54 -0.75 4.35 4.08 2gb7A1 LEU 108 HB2 0.16 0.01 0.09 -0.04 1.64 1.86 2gb7A1 LEU 108 HB3 0.16 0.12 0.19 -0.04 1.64 2.07 2gb7A1 LEU 108 HG 0.09 -0.03 -0.25 -0.04 1.64 1.41 2gb7A1 LEU 108 HD13 0.00 -0.02 0.02 -0.04 0.93 0.89 2gb7A1 LEU 108 HD23 0.15 0.00 0.01 -0.04 0.89 1.01 2gb7A1 ALA 109 H 0.02 0.61 -0.04 -0.55 8.40 8.44 2gb7A1 ALA 109 HA 0.04 -0.00 0.46 -0.75 4.34 4.08 2gb7A1 ALA 109 HB3 0.02 0.02 0.09 -0.04 1.41 1.49 2gb7A1 LEU 110 H -0.29 0.81 -0.05 -0.55 8.37 8.29 2gb7A1 LEU 110 HA -0.17 -0.03 0.53 -0.75 4.35 3.92 2gb7A1 LEU 110 HB2 -0.80 0.02 0.09 -0.04 1.64 0.90 2gb7A1 LEU 110 HB3 -0.31 0.13 0.17 -0.04 1.64 1.59 2gb7A1 LEU 110 HG -0.10 -0.01 -0.23 -0.04 1.64 1.27 2gb7A1 LEU 110 HD13 -0.06 -0.03 0.04 -0.04 0.93 0.84 2gb7A1 LEU 110 HD23 -0.06 -0.01 -0.02 -0.04 0.89 0.76 2gb7A1 SER 111 H -0.09 0.65 -0.11 -0.55 8.46 8.37 2gb7A1 SER 111 HA -0.03 -0.04 0.38 -0.75 4.49 4.04 2gb7A1 SER 111 HB2 -0.05 0.05 0.18 -0.04 3.95 4.09 2gb7A1 SER 111 HB3 -0.01 0.17 0.23 -0.04 3.93 4.27 2gb7A1 ASN 112 H 0.01 0.43 -0.30 -0.55 8.53 8.13 2gb7A1 ASN 112 HA 0.04 0.00 0.29 -0.75 4.76 4.35 2gb7A1 ASN 112 HB2 0.06 0.12 0.21 -0.04 2.88 3.24 2gb7A1 ASN 112 HB3 0.10 -0.07 -0.01 -0.04 2.79 2.77 2gb7A1 ASN 112 HD21 0.19 -0.02 -0.04 -0.04 7.03 7.12 2gb7A1 ASN 112 HD22 0.11 -0.03 -0.03 -0.04 7.74 7.75 2gb7A1 THR 113 H 0.02 0.71 0.06 -0.55 8.28 8.52 2gb7A1 THR 113 HA 0.07 -0.00 0.62 -0.75 4.39 4.32 2gb7A1 THR 113 HB 0.04 0.04 0.14 -0.04 4.32 4.49 2gb7A1 THR 113 HG23 -0.00 0.02 0.06 -0.04 1.22 1.26 2gb7A1 GLN 114 H -0.01 0.64 -0.20 -0.55 8.47 8.36 2gb7A1 GLN 114 HA -0.00 -0.03 0.48 -0.75 4.36 4.05 2gb7A1 GLN 114 HB2 -0.02 0.13 0.12 -0.04 2.15 2.35 2gb7A1 GLN 114 HB3 -0.01 -0.06 0.02 -0.04 2.02 1.93 2gb7A1 GLN 114 HG2 -0.02 0.17 0.07 -0.04 2.40 2.58 2gb7A1 GLN 114 HG3 -0.02 -0.03 -0.05 -0.04 2.39 2.25 2gb7A1 GLN 114 HE21 0.00 -0.03 -0.01 -0.04 6.97 6.90 2gb7A1 GLN 114 HE22 -0.00 0.02 -0.02 -0.04 7.69 7.65 2gb7A1 SER 115 H -0.01 0.71 0.00 -0.55 8.46 8.61 2gb7A1 SER 115 HA -0.04 -0.01 0.59 -0.75 4.49 4.27 2gb7A1 SER 115 HB2 -0.06 0.02 0.13 -0.04 3.95 3.99 2gb7A1 SER 115 HB3 -0.02 0.14 0.23 -0.04 3.93 4.24 2gb7A1 ARG 116 H 0.04 0.81 -0.00 -0.55 8.46 8.75 2gb7A1 ARG 116 HA -0.05 -0.02 0.29 -0.75 4.34 3.81 2gb7A1 ARG 116 HB2 0.08 0.13 0.25 -0.04 1.90 2.32 2gb7A1 ARG 116 HB3 0.09 -0.08 0.00 -0.04 1.80 1.77 2gb7A1 ARG 116 HG2 0.41 -0.06 0.02 -0.04 1.67 2.00 2gb7A1 ARG 116 HG3 0.24 0.17 0.05 -0.04 1.67 2.08 2gb7A1 ARG 116 HD2 0.20 -0.01 -0.02 -0.04 3.22 3.34 2gb7A1 ARG 116 HD3 0.37 -0.05 -0.01 -0.04 3.22 3.48 2gb7A1 ARG 117 H -0.00 0.65 -0.15 -0.55 8.46 8.40 2gb7A1 ARG 117 HA -0.02 -0.06 0.47 -0.75 4.34 3.97 2gb7A1 ARG 117 HB2 -0.01 0.13 0.21 -0.04 1.90 2.20 2gb7A1 ARG 117 HB3 -0.01 -0.08 0.07 -0.04 1.80 1.74 2gb7A1 ARG 117 HG2 -0.01 -0.11 0.04 -0.04 1.67 1.56 2gb7A1 ARG 117 HG3 0.00 0.24 0.12 -0.04 1.67 1.99 2gb7A1 ARG 117 HD2 0.00 0.02 -0.03 -0.04 3.22 3.17 2gb7A1 ARG 117 HD3 0.00 -0.07 -0.00 -0.04 3.22 3.11 2gb7A1 SER 118 H -0.02 0.63 -0.02 -0.55 8.46 8.50 2gb7A1 SER 118 HA -0.01 -0.01 0.34 -0.75 4.49 4.06 2gb7A1 SER 118 HB2 -0.01 0.05 0.18 -0.04 3.95 4.12 2gb7A1 SER 118 HB3 -0.03 0.11 0.23 -0.04 3.93 4.20 2gb7A1 ARG 119 H -0.06 0.81 -0.05 -0.55 8.46 8.61 2gb7A1 ARG 119 HA -0.04 -0.05 0.38 -0.75 4.34 3.87 2gb7A1 ARG 119 HB2 -0.19 0.13 0.05 -0.04 1.90 1.85 2gb7A1 ARG 119 HB3 -0.21 -0.06 0.00 -0.04 1.80 1.49 2gb7A1 ARG 119 HG2 -0.08 -0.08 0.04 -0.04 1.67 1.50 2gb7A1 ARG 119 HG3 -0.10 0.09 0.06 -0.04 1.67 1.68 2gb7A1 ARG 119 HD2 -0.15 0.03 -0.05 -0.04 3.22 3.01 2gb7A1 ARG 119 HD3 -0.25 -0.02 -0.16 -0.04 3.22 2.74 2gb7A1 ALA 120 H -0.05 0.59 -0.23 -0.55 8.40 8.16 2gb7A1 ALA 120 HA -0.05 0.00 0.32 -0.75 4.34 3.85 2gb7A1 ALA 120 HB3 -0.09 0.02 0.14 -0.04 1.41 1.45 2gb7A1 GLY 121 H 0.00 0.51 -0.13 -0.55 8.43 8.27 2gb7A1 GLY 121 HA2 0.12 -0.08 0.41 -0.51 4.01 3.95 2gb7A1 GLY 121 HA3 0.05 0.13 0.34 -0.51 4.01 4.02 2gb7A1 LYS 122 H 0.02 0.62 0.02 -0.55 8.42 8.53 2gb7A1 LYS 122 HA 0.04 0.04 0.40 -0.75 4.32 4.05 2gb7A1 LYS 122 HB2 0.02 0.08 0.12 -0.04 1.87 2.05 2gb7A1 LYS 122 HB3 0.02 0.04 0.13 -0.04 1.79 1.93 2gb7A1 LYS 122 HG2 0.05 0.00 0.03 -0.04 1.46 1.50 2gb7A1 LYS 122 HG3 0.08 -0.10 -0.14 -0.04 1.46 1.26 2gb7A1 LYS 122 HD2 0.08 -0.04 0.03 -0.04 1.69 1.72 2gb7A1 LYS 122 HD3 0.04 -0.00 0.10 -0.04 1.68 1.78 2gb7A1 LYS 122 HE2 0.01 0.03 0.03 -0.04 2.99 3.02 2gb7A1 LYS 122 HE3 0.02 0.03 0.03 -0.04 2.99 3.03 2gb7A1 GLU 123 H 0.03 0.78 -0.13 -0.55 8.60 8.73 2gb7A1 GLU 123 HA 0.03 -0.01 0.42 -0.75 4.29 3.98 2gb7A1 GLU 123 HB2 0.01 0.16 0.14 -0.04 2.09 2.36 2gb7A1 GLU 123 HB3 0.03 -0.06 -0.02 -0.04 1.99 1.90 2gb7A1 GLU 123 HG2 0.01 0.01 0.05 -0.04 2.34 2.37 2gb7A1 GLU 123 HG3 -0.01 -0.03 0.09 -0.04 2.34 2.36 2gb7A1 PHE 124 H 0.17 0.57 -0.17 -0.55 8.34 8.36 2gb7A1 PHE 124 HA -0.04 -0.01 0.38 -0.75 4.62 4.19 2gb7A1 PHE 124 HB2 -0.03 0.07 0.13 -0.04 3.15 3.28 2gb7A1 PHE 124 HB3 -0.01 0.09 0.16 -0.04 3.06 3.26 2gb7A1 PHE 124 HD2 -0.02 -0.01 -0.10 -0.04 7.28 7.11 2gb7A1 PHE 124 HE2 -0.00 0.08 -0.24 -0.04 7.38 7.18 2gb7A1 PHE 124 HZ 0.29 -0.02 -0.32 -0.04 7.32 7.22 2gb7A1 GLU 125 H 0.05 0.60 -0.15 -0.55 8.60 8.55 2gb7A1 GLU 125 HA -0.21 -0.01 0.29 -0.75 4.29 3.60 2gb7A1 GLU 125 HB2 0.01 0.10 0.15 -0.04 2.09 2.31 2gb7A1 GLU 125 HB3 -0.03 -0.04 0.02 -0.04 1.99 1.90 2gb7A1 GLU 125 HG2 -0.03 -0.05 0.04 -0.04 2.34 2.26 2gb7A1 GLU 125 HG3 -0.00 -0.03 0.07 -0.04 2.34 2.34 2gb7A1 SER 126 H 0.03 0.58 -0.21 -0.55 8.46 8.32 2gb7A1 SER 126 HA 0.10 -0.00 0.40 -0.75 4.49 4.23 2gb7A1 SER 126 HB2 -0.02 0.11 0.10 -0.04 3.95 4.10 2gb7A1 SER 126 HB3 -0.11 -0.06 0.01 -0.04 3.93 3.73 2gb7A1 ILE 127 H -0.02 0.71 -0.15 -0.55 8.25 8.23 2gb7A1 ILE 127 HA 0.00 0.01 0.40 -0.75 4.18 3.83 2gb7A1 ILE 127 HB 0.02 0.16 0.16 -0.04 1.89 2.19 2gb7A1 ILE 127 HG12 -0.10 -0.05 -0.02 -0.04 1.49 1.28 2gb7A1 ILE 127 HG13 -0.02 0.06 0.01 -0.04 1.21 1.22 2gb7A1 ILE 127 HG23 -0.11 -0.02 -0.16 -0.04 0.93 0.60 2gb7A1 ILE 127 HD13 0.02 -0.01 -0.17 -0.04 0.88 0.68 2gb7A1 LEU 128 H -0.17 0.55 -0.18 -0.55 8.37 8.02 2gb7A1 LEU 128 HA -0.09 -0.00 0.45 -0.75 4.35 3.96 2gb7A1 LEU 128 HB2 -0.23 0.15 0.06 -0.04 1.64 1.57 2gb7A1 LEU 128 HB3 -0.16 -0.04 -0.05 -0.04 1.64 1.35 2gb7A1 LEU 128 HG -0.62 0.17 -0.00 -0.04 1.64 1.15 2gb7A1 LEU 128 HD13 -0.56 -0.02 -0.14 -0.04 0.93 0.16 2gb7A1 LEU 128 HD23 -0.28 -0.03 -0.08 -0.04 0.89 0.46 2gb7A1 GLU 129 H -0.09 0.50 -0.23 -0.55 8.60 8.24 2gb7A1 GLU 129 HA -0.13 0.02 0.39 -0.75 4.29 3.82 2gb7A1 GLU 129 HB2 -0.04 -0.01 0.03 -0.04 2.09 2.03 2gb7A1 GLU 129 HB3 -0.01 0.10 0.22 -0.04 1.99 2.25 2gb7A1 GLU 129 HG2 -0.11 0.01 -0.26 -0.04 2.34 1.93 2gb7A1 GLU 129 HG3 -0.12 -0.02 -0.08 -0.04 2.34 2.08 2gb7A1 LEU 130 H -0.14 0.64 -0.08 -0.55 8.37 8.24 2gb7A1 LEU 130 HA -0.38 0.03 0.43 -0.75 4.35 3.67 2gb7A1 LEU 130 HB2 -0.20 0.12 0.09 -0.04 1.64 1.62 2gb7A1 LEU 130 HB3 -0.80 -0.03 -0.04 -0.04 1.64 0.72 2gb7A1 LEU 130 HG -0.28 0.00 -0.02 -0.04 1.64 1.31 2gb7A1 LEU 130 HD13 -0.58 -0.01 -0.12 -0.04 0.93 0.18 2gb7A1 LEU 130 HD23 -0.62 -0.01 -0.05 -0.04 0.89 0.17 2gb7A1 LEU 131 H -0.10 0.42 -0.37 -0.55 8.37 7.77 2gb7A1 LEU 131 HA -0.51 0.00 0.46 -0.75 4.35 3.55 2gb7A1 LEU 131 HB2 -0.02 0.01 0.08 -0.04 1.64 1.66 2gb7A1 LEU 131 HB3 -0.10 0.21 0.15 -0.04 1.64 1.87 2gb7A1 LEU 131 HG -0.10 0.04 -0.29 -0.04 1.64 1.26 2gb7A1 LEU 131 HD13 -0.11 -0.00 -0.01 -0.04 0.93 0.77 2gb7A1 LEU 131 HD23 -0.04 -0.03 -0.05 -0.04 0.89 0.73 2gb7A1 MET 132 H -0.20 0.49 -0.17 -0.55 8.47 8.05 2gb7A1 MET 132 HA -0.14 -0.01 0.37 -0.75 4.52 3.99 2gb7A1 MET 132 HB2 -0.19 0.11 0.07 -0.04 2.15 2.10 2gb7A1 MET 132 HB3 -0.12 0.06 -0.09 -0.04 2.03 1.84 2gb7A1 MET 132 HG2 -0.11 0.24 0.03 -0.04 2.63 2.74 2gb7A1 MET 132 HG3 -0.09 -0.05 -0.11 -0.04 2.56 2.27 2gb7A1 MET 132 HE3 -0.04 -0.03 -0.12 -0.04 2.10 1.87 2gb7A1 MET 133 H -0.40 0.51 -0.14 -0.55 8.47 7.89 2gb7A1 MET 133 HA -0.78 0.12 0.44 -0.75 4.52 3.54 2gb7A1 MET 133 HB2 -0.48 0.00 0.10 -0.04 2.15 1.74 2gb7A1 MET 133 HB3 -0.71 -0.02 -0.02 -0.04 2.03 1.24 2gb7A1 MET 133 HG2 -2.33 0.02 -0.00 -0.04 2.63 0.28 2gb7A1 MET 133 HG3 -0.71 0.12 0.01 -0.04 2.56 1.94 2gb7A1 MET 133 HE3 -0.38 -0.00 -0.07 -0.04 2.10 1.60 2gb7A1 GLY 134 H -0.53 0.61 -0.21 -0.55 8.43 7.76 2gb7A1 GLY 134 HA2 -0.23 0.06 0.44 -0.51 4.01 3.78 2gb7A1 GLY 134 HA3 -1.65 0.01 0.26 -0.51 4.01 2.12 2gb7A1 ALA 135 H -0.33 0.44 -0.28 -0.55 8.40 7.68 2gb7A1 ALA 135 HA 0.10 0.03 0.59 -0.75 4.34 4.30 2gb7A1 ALA 135 HB3 -0.02 -0.01 0.04 -0.04 1.41 1.38 2gb7A1 GLY 136 H -0.07 0.29 -0.67 -0.55 8.43 7.43 2gb7A1 GLY 136 HA2 0.10 0.09 0.24 -0.51 4.01 3.92 2gb7A1 GLY 136 HA3 0.05 -0.02 0.40 -0.51 4.01 3.93 2gb7A1 ILE 137 H 0.00 0.37 -0.17 -0.55 8.25 7.90 2gb7A1 ILE 137 HA 0.04 0.14 0.44 -0.75 4.18 4.04 2gb7A1 ILE 137 HB -0.03 -0.06 -0.01 -0.04 1.89 1.76 2gb7A1 ILE 137 HG12 0.02 0.04 -0.17 -0.04 1.49 1.34 2gb7A1 ILE 137 HG13 0.01 0.07 -0.32 -0.04 1.21 0.93 2gb7A1 ILE 137 HG23 -0.00 -0.00 -0.22 -0.04 0.93 0.67 2gb7A1 ILE 137 HD13 -0.01 -0.04 -0.11 -0.04 0.88 0.68 2gb7A1 PRO 138 HA 0.06 0.05 0.48 -0.51 4.44 4.52 2gb7A1 PRO 138 HB2 -0.07 0.09 0.06 -0.04 2.28 2.32 2gb7A1 PRO 138 HB3 -0.04 0.05 0.11 -0.04 2.02 2.10 2gb7A1 PRO 138 HG2 -0.06 -0.08 0.19 -0.04 2.03 2.04 2gb7A1 PRO 138 HG3 0.03 0.09 0.11 -0.04 2.03 2.21 2gb7A1 PRO 138 HD2 0.03 0.01 0.20 -0.04 3.68 3.89 2gb7A1 PRO 138 HD3 0.04 0.24 0.24 -0.04 3.65 4.13 2gb7A1 VAL 139 H 0.13 0.25 0.23 -0.55 8.24 8.30 2gb7A1 VAL 139 HA -0.03 0.26 0.75 -0.75 4.13 4.35 2gb7A1 VAL 139 HB -0.02 -0.07 -0.15 -0.04 2.12 1.84 2gb7A1 VAL 139 HG13 -0.04 -0.01 -0.45 -0.04 0.97 0.43 2gb7A1 VAL 139 HG23 -0.04 0.01 -0.15 -0.04 0.95 0.72 2gb7A1 ASP 140 H -0.01 0.60 0.20 -0.55 8.40 8.64 2gb7A1 ASP 140 HA 0.13 0.18 0.81 -0.75 4.63 5.00 2gb7A1 ASP 140 HB2 -0.03 -0.06 0.13 -0.04 2.71 2.71 2gb7A1 ASP 140 HB3 -0.01 0.04 -0.10 -0.04 2.70 2.59 2gb7A1 VAL 141 H 0.12 0.23 0.04 -0.55 8.24 8.08 2gb7A1 VAL 141 HA 0.02 0.31 0.92 -0.75 4.13 4.62 2gb7A1 VAL 141 HB 0.16 -0.01 0.11 -0.04 2.12 2.33 2gb7A1 VAL 141 HG13 0.06 -0.04 -0.09 -0.04 0.97 0.85 2gb7A1 VAL 141 HG23 0.10 0.03 -0.08 -0.04 0.95 0.95 2gb7A1 GLN 142 H -0.02 0.64 0.18 -0.55 8.47 8.73 2gb7A1 GLN 142 HA -0.04 0.00 0.25 -0.75 4.36 3.82 2gb7A1 GLN 142 HB2 -0.03 0.19 0.17 -0.04 2.15 2.43 2gb7A1 GLN 142 HB3 -0.04 -0.02 0.03 -0.04 2.02 1.94 2gb7A1 GLN 142 HG2 -0.05 -0.12 -0.15 -0.04 2.40 2.04 2gb7A1 GLN 142 HG3 -0.06 0.12 -0.19 -0.04 2.39 2.22 2gb7A1 GLN 142 HE21 -0.05 0.07 -0.16 -0.04 6.97 6.79 2gb7A1 GLN 142 HE22 -0.05 0.18 -0.15 -0.04 7.69 7.62 2gb7A1 GLY 143 H -0.01 0.13 -0.22 -0.55 8.43 7.77 2gb7A1 GLY 143 HA2 -0.04 0.10 0.46 -0.51 4.01 4.02 2gb7A1 GLY 143 HA3 -0.03 -0.01 0.29 -0.51 4.01 3.76 2gb7A1 ALA 144 H -0.05 0.45 -0.60 -0.55 8.40 7.65 2gb7A1 ALA 144 HA -0.22 0.19 0.87 -0.75 4.34 4.43 2gb7A1 ALA 144 HB3 -0.10 -0.00 0.02 -0.04 1.41 1.29 2gb7A1 ILE 145 H -0.07 0.25 -0.09 -0.55 8.25 7.79 2gb7A1 ILE 145 HA -0.10 0.26 0.78 -0.75 4.18 4.37 2gb7A1 ILE 145 HB -0.06 -0.00 0.08 -0.04 1.89 1.86 2gb7A1 ILE 145 HG12 -0.04 -0.08 -0.02 -0.04 1.49 1.30 2gb7A1 ILE 145 HG13 -0.05 0.17 0.13 -0.04 1.21 1.41 2gb7A1 ILE 145 HG23 -0.06 0.02 -0.08 -0.04 0.93 0.77 2gb7A1 ILE 145 HD13 -0.04 -0.01 0.04 -0.04 0.88 0.83 2gb7A1 ASN 153 HA 0.01 -0.05 0.16 -0.75 4.76 4.12 2gb7A1 ASN 153 HB2 -0.00 -0.01 -0.11 -0.04 2.88 2.72 2gb7A1 ASN 153 HB3 -0.01 -0.17 0.04 -0.04 2.79 2.62 2gb7A1 ASN 153 HD21 -0.01 -0.01 -0.02 -0.04 7.03 6.96 2gb7A1 ASN 153 HD22 -0.01 -0.03 -0.03 -0.04 7.74 7.63 2gb7A1 GLN 154 H 0.01 -0.06 0.09 -0.55 8.47 7.97 2gb7A1 GLN 154 HA 0.07 0.33 0.91 -0.75 4.36 4.92 2gb7A1 GLN 154 HB2 0.07 -0.08 -0.01 -0.04 2.15 2.09 2gb7A1 GLN 154 HB3 0.20 0.05 -0.01 -0.04 2.02 2.22 2gb7A1 GLN 154 HG2 0.07 0.12 -0.08 -0.04 2.40 2.47 2gb7A1 GLN 154 HG3 0.05 -0.09 -0.25 -0.04 2.39 2.06 2gb7A1 GLN 154 HE21 0.11 -0.05 -0.02 -0.04 6.97 6.97 2gb7A1 GLN 154 HE22 0.17 -0.03 -0.10 -0.04 7.69 7.69 2gb7A1 ILE 155 H -0.02 0.03 0.07 -0.55 8.25 7.77 2gb7A1 ILE 155 HA -0.09 0.19 0.82 -0.75 4.18 4.34 2gb7A1 ILE 155 HB -0.10 -0.04 0.06 -0.04 1.89 1.77 2gb7A1 ILE 155 HG12 -0.18 -0.03 -0.72 -0.04 1.49 0.52 2gb7A1 ILE 155 HG13 -0.18 -0.05 -0.15 -0.04 1.21 0.80 2gb7A1 ILE 155 HG23 -0.16 0.05 -0.10 -0.04 0.93 0.68 2gb7A1 ILE 155 HD13 -0.85 0.01 -0.11 -0.04 0.88 -0.12 2gb7A1 GLY 156 H -0.04 0.16 0.02 -0.55 8.43 8.02 2gb7A1 GLY 156 HA2 -0.02 0.14 0.55 -0.51 4.01 4.16 2gb7A1 GLY 156 HA3 -0.02 0.00 0.31 -0.51 4.01 3.80 2gb7A1 LYS 157 H -0.02 0.16 0.14 -0.55 8.42 8.15 2gb7A1 LYS 157 HA -0.03 0.19 0.34 -0.75 4.32 4.07 2gb7A1 LYS 157 HB2 -0.02 -0.04 0.06 -0.04 1.87 1.84 2gb7A1 LYS 157 HB3 -0.02 0.02 0.08 -0.04 1.79 1.83 2gb7A1 LYS 157 HG2 -0.02 -0.02 0.07 -0.04 1.46 1.45 2gb7A1 LYS 157 HG3 -0.02 0.00 0.03 -0.04 1.46 1.43 2gb7A1 LYS 157 HD2 -0.03 -0.01 0.00 -0.04 1.69 1.62 2gb7A1 LYS 157 HD3 -0.03 0.05 -0.03 -0.04 1.68 1.63 2gb7A1 LYS 157 HE2 -0.02 -0.00 -0.01 -0.04 2.99 2.92 2gb7A1 LYS 157 HE3 -0.02 -0.02 -0.00 -0.04 2.99 2.90 2gb7A1 LEU 158 H -0.02 -0.02 -0.48 -0.55 8.37 7.31 2gb7A1 LEU 158 HA -0.00 0.07 0.39 -0.75 4.35 4.05 2gb7A1 LEU 158 HB2 -0.00 -0.00 -0.01 -0.04 1.64 1.59 2gb7A1 LEU 158 HB3 -0.01 -0.03 -0.03 -0.04 1.64 1.53 2gb7A1 LEU 158 HG 0.01 -0.02 -0.05 -0.04 1.64 1.53 2gb7A1 LEU 158 HD13 0.01 0.01 -0.17 -0.04 0.93 0.74 2gb7A1 LEU 158 HD23 0.01 0.01 -0.19 -0.04 0.89 0.67 2gb7A1 VAL 159 H -0.03 0.32 -0.34 -0.55 8.24 7.65 2gb7A1 VAL 159 HA -0.02 0.03 0.52 -0.75 4.13 3.91 2gb7A1 VAL 159 HB -0.07 0.14 0.02 -0.04 2.12 2.17 2gb7A1 VAL 159 HG13 -0.07 -0.04 -0.23 -0.04 0.97 0.59 2gb7A1 VAL 159 HG23 -0.05 -0.03 -0.09 -0.04 0.95 0.75 2gb7A1 ASP 160 H -0.02 0.54 0.47 -0.55 8.40 8.84 2gb7A1 ASP 160 HA -0.02 0.10 0.63 -0.75 4.63 4.58 2gb7A1 ASP 160 HB2 -0.04 0.07 0.15 -0.04 2.71 2.85 2gb7A1 ASP 160 HB3 -0.04 -0.07 0.03 -0.04 2.70 2.59 2gb7A1 LEU 161 H -0.03 0.36 0.28 -0.55 8.37 8.43 2gb7A1 LEU 161 HA -0.03 0.29 0.99 -0.75 4.35 4.85 2gb7A1 LEU 161 HB2 -0.04 -0.07 0.07 -0.04 1.64 1.55 2gb7A1 LEU 161 HB3 -0.05 0.08 -0.13 -0.04 1.64 1.50 2gb7A1 LEU 161 HG -0.05 -0.10 -0.27 -0.04 1.64 1.17 2gb7A1 LEU 161 HD13 -0.08 -0.00 -0.24 -0.04 0.93 0.57 2gb7A1 LEU 161 HD23 -0.04 0.05 -0.14 -0.04 0.89 0.72 2gb7A1 VAL 162 H -0.04 0.58 0.26 -0.55 8.24 8.49 2gb7A1 VAL 162 HA -0.06 0.28 1.01 -0.75 4.13 4.61 2gb7A1 VAL 162 HB -0.07 -0.15 -0.00 -0.04 2.12 1.85 2gb7A1 VAL 162 HG13 -0.11 -0.00 -0.31 -0.04 0.97 0.51 2gb7A1 VAL 162 HG23 -0.14 0.00 -0.26 -0.04 0.95 0.52 2gb7A1 MET 163 H -0.03 0.71 0.31 -0.55 8.47 8.91 2gb7A1 MET 163 HA -0.10 0.32 0.90 -0.75 4.52 4.89 2gb7A1 MET 163 HB2 -0.04 -0.09 -0.06 -0.04 2.15 1.92 2gb7A1 MET 163 HB3 -0.02 -0.10 0.17 -0.04 2.03 2.05 2gb7A1 MET 163 HG2 -0.04 0.38 0.03 -0.04 2.63 2.95 2gb7A1 MET 163 HG3 -0.02 -0.10 -0.06 -0.04 2.56 2.34 2gb7A1 MET 163 HE3 0.13 -0.01 -0.20 -0.04 2.10 1.97 2gb7A1 PRO 164 HA -0.20 0.49 0.37 -0.51 4.44 4.59 2gb7A1 PRO 164 HB2 -0.41 -0.01 -0.00 -0.04 2.28 1.83 2gb7A1 PRO 164 HB3 -0.60 0.10 0.09 -0.04 2.02 1.56 2gb7A1 PRO 164 HG2 -1.00 -0.11 -0.05 -0.04 2.03 0.83 2gb7A1 PRO 164 HG3 -3.02 0.12 0.03 -0.04 2.03 -0.88 2gb7A1 PRO 164 HD2 -0.54 -0.02 0.14 -0.04 3.68 3.22 2gb7A1 PRO 164 HD3 -0.80 0.31 0.38 -0.04 3.65 3.49 2gb7A1 GLY 165 H -0.22 0.30 -0.17 -0.55 8.43 7.79 2gb7A1 GLY 165 HA2 -0.08 0.06 0.25 -0.51 4.01 3.74 2gb7A1 GLY 165 HA3 -0.12 0.09 0.39 -0.51 4.01 3.85 2gb7A1 VAL 166 H -0.05 0.20 0.09 -0.55 8.24 7.93 2gb7A1 VAL 166 HA 0.00 0.15 0.37 -0.75 4.13 3.89 2gb7A1 VAL 166 HB -0.02 0.05 -0.03 -0.04 2.12 2.09 2gb7A1 VAL 166 HG13 -0.06 0.02 -0.06 -0.04 0.97 0.82 2gb7A1 VAL 166 HG23 -0.03 0.02 -0.03 -0.04 0.95 0.86 2gb7A1 VAL 167 H -0.05 0.09 -0.14 -0.55 8.24 7.59 2gb7A1 VAL 167 HA -0.00 0.11 0.37 -0.75 4.13 3.86 2gb7A1 VAL 167 HB -0.10 -0.00 -0.01 -0.04 2.12 1.97 2gb7A1 VAL 167 HG13 -0.05 0.03 -0.13 -0.04 0.97 0.79 2gb7A1 VAL 167 HG23 -0.05 -0.00 -0.18 -0.04 0.95 0.67 2gb7A1 GLN 168 H -0.09 0.05 -0.30 -0.55 8.47 7.58 2gb7A1 GLN 168 HA 0.10 0.04 0.34 -0.75 4.36 4.08 2gb7A1 GLN 168 HB2 -0.37 0.01 -0.00 -0.04 2.15 1.75 2gb7A1 GLN 168 HB3 -0.31 0.14 -0.03 -0.04 2.02 1.79 2gb7A1 GLN 168 HG2 -0.19 0.12 -0.05 -0.04 2.40 2.23 2gb7A1 GLN 168 HG3 0.02 -0.07 -0.07 -0.04 2.39 2.23 2gb7A1 GLN 168 HE21 -0.19 0.06 -0.15 -0.04 6.97 6.66 2gb7A1 GLN 168 HE22 -0.06 0.09 -0.08 -0.04 7.69 7.59 2gb7A1 TYR 169 H 0.07 0.32 -0.30 -0.55 8.29 7.83 2gb7A1 TYR 169 HA 0.03 0.20 0.17 -0.75 4.56 4.21 2gb7A1 TYR 169 HB2 -0.04 0.01 -0.01 -0.04 3.06 2.97 2gb7A1 TYR 169 HB3 -0.02 -0.01 0.02 -0.04 2.98 2.92 2gb7A1 TYR 169 HD2 0.01 0.01 -0.25 -0.04 7.15 6.88 2gb7A1 TYR 169 HE2 0.02 0.04 -0.06 -0.04 6.85 6.81 2gb7A1 THR 170 H 0.14 0.48 -0.28 -0.55 8.28 8.06 2gb7A1 THR 170 HA 0.10 0.02 0.36 -0.75 4.39 4.11 2gb7A1 THR 170 HB 0.05 0.05 0.10 -0.04 4.32 4.48 2gb7A1 THR 170 HG23 0.04 -0.02 -0.10 -0.04 1.22 1.10 2gb7A1 SER 171 H 0.05 0.41 -0.26 -0.55 8.46 8.11 2gb7A1 SER 171 HA 0.04 -0.07 0.44 -0.75 4.49 4.15 2gb7A1 SER 171 HB2 0.09 -0.07 0.11 -0.04 3.95 4.03 2gb7A1 SER 171 HB3 0.13 0.23 0.18 -0.04 3.93 4.44 2gb7A1 ASN 172 H 0.03 0.66 -0.09 -0.55 8.53 8.59 2gb7A1 ASN 172 HA -0.06 0.04 0.42 -0.75 4.76 4.40 2gb7A1 ASN 172 HB2 0.03 0.10 -0.17 -0.04 2.88 2.80 2gb7A1 ASN 172 HB3 0.07 0.01 -0.00 -0.04 2.79 2.83 2gb7A1 ASN 172 HD21 -0.01 -0.05 0.05 -0.04 7.03 6.98 2gb7A1 ASN 172 HD22 0.00 0.05 0.07 -0.04 7.74 7.82 2gb7A1 LYS 173 H -0.18 0.12 0.14 -0.55 8.42 7.94 2gb7A1 LYS 173 HA -0.49 0.12 0.48 -0.75 4.32 3.69 2gb7A1 LYS 173 HB2 -0.32 -0.08 0.15 -0.04 1.87 1.57 2gb7A1 LYS 173 HB3 -0.94 0.11 0.09 -0.04 1.79 1.00 2gb7A1 LYS 173 HG2 -0.15 -0.04 0.12 -0.04 1.46 1.35 2gb7A1 LYS 173 HG3 -0.08 -0.05 -0.06 -0.04 1.46 1.23 2gb7A1 LYS 173 HD2 -0.00 -0.12 0.08 -0.04 1.69 1.61 2gb7A1 LYS 173 HD3 -0.11 0.08 0.03 -0.04 1.68 1.64 2gb7A1 LYS 173 HE2 -0.05 -0.04 0.05 -0.04 2.99 2.91 2gb7A1 LYS 173 HE3 -0.02 -0.08 0.04 -0.04 2.99 2.89 2gb7A1 ARG 174 H -0.01 -0.02 -0.38 -0.55 8.46 7.50 2gb7A1 ARG 174 HA 0.04 -0.01 0.43 -0.75 4.34 4.05 2gb7A1 ARG 174 HB2 0.00 -0.03 0.08 -0.04 1.90 1.91 2gb7A1 ARG 174 HB3 0.03 0.04 0.00 -0.04 1.80 1.83 2gb7A1 ARG 174 HG2 -0.00 0.07 -0.19 -0.04 1.67 1.50 2gb7A1 ARG 174 HG3 0.01 -0.06 0.07 -0.04 1.67 1.65 2gb7A1 ARG 174 HD2 -0.02 -0.02 0.01 -0.04 3.22 3.15 2gb7A1 ARG 174 HD3 -0.05 0.02 -0.03 -0.04 3.22 3.12 2gb7A1 ASN 175 H 0.09 0.06 0.20 -0.55 8.53 8.34 2gb7A1 ASN 175 HA 0.16 -0.03 0.36 -0.75 4.76 4.49 2gb7A1 ASN 175 HB2 0.12 0.21 -0.22 -0.04 2.88 2.95 2gb7A1 ASN 175 HB3 0.16 0.04 0.18 -0.04 2.79 3.13 2gb7A1 ASN 175 HD21 -0.13 -0.05 -0.04 -0.04 7.03 6.77 2gb7A1 ASN 175 HD22 -0.27 0.07 -0.11 -0.04 7.74 7.38 2gb7A1 THR 176 H 0.20 0.21 -0.17 -0.55 8.28 7.97 2gb7A1 THR 176 HA 0.19 0.29 0.96 -0.75 4.39 5.09 2gb7A1 THR 176 HB 0.22 -0.04 0.13 -0.04 4.32 4.59 2gb7A1 THR 176 HG23 0.18 0.02 -0.24 -0.04 1.22 1.15 2gb7A1 MET 177 H 0.08 0.56 0.32 -0.55 8.47 8.88 2gb7A1 MET 177 HA 0.17 0.15 0.84 -0.75 4.52 4.92 2gb7A1 MET 177 HB2 0.05 0.07 -0.17 -0.04 2.15 2.07 2gb7A1 MET 177 HB3 0.01 -0.03 0.04 -0.04 2.03 2.00 2gb7A1 MET 177 HG2 -0.03 -0.04 -0.39 -0.04 2.63 2.13 2gb7A1 MET 177 HG3 0.02 0.01 -0.02 -0.04 2.56 2.53 2gb7A1 MET 177 HE3 -0.16 0.02 -0.19 -0.04 2.10 1.72 2gb7A1 LEU 178 H 0.18 0.26 0.21 -0.55 8.37 8.47 2gb7A1 LEU 178 HA -0.00 0.30 1.07 -0.75 4.35 4.97 2gb7A1 LEU 178 HB2 0.06 0.03 0.21 -0.04 1.64 1.90 2gb7A1 LEU 178 HB3 -0.03 -0.03 0.05 -0.04 1.64 1.59 2gb7A1 LEU 178 HG 0.09 -0.00 -0.09 -0.04 1.64 1.61 2gb7A1 LEU 178 HD13 -0.09 0.02 -0.00 -0.04 0.93 0.81 2gb7A1 LEU 178 HD23 -0.30 0.03 -0.09 -0.04 0.89 0.48 2gb7A1 ILE 179 H 0.00 0.55 0.34 -0.55 8.25 8.59 2gb7A1 ILE 179 HA 0.11 0.24 1.14 -0.75 4.18 4.91 2gb7A1 ILE 179 HB -0.02 -0.05 0.09 -0.04 1.89 1.87 2gb7A1 ILE 179 HG12 -0.03 0.01 -0.15 -0.04 1.49 1.28 2gb7A1 ILE 179 HG13 -0.01 -0.05 -0.57 -0.04 1.21 0.54 2gb7A1 ILE 179 HG23 0.02 -0.02 -0.17 -0.04 0.93 0.72 2gb7A1 ILE 179 HD13 -0.07 0.00 -0.16 -0.04 0.88 0.61 2gb7A1 SER 180 H 0.06 0.84 0.44 -0.55 8.46 9.25 2gb7A1 SER 180 HA 0.01 0.11 0.97 -0.75 4.49 4.83 2gb7A1 SER 180 HB2 0.02 -0.03 -0.08 -0.04 3.95 3.81 2gb7A1 SER 180 HB3 0.04 -0.00 0.04 -0.04 3.93 3.96 2gb7A1 ALA 181 H 0.03 0.35 0.23 -0.55 8.40 8.46 2gb7A1 ALA 181 HA 0.13 0.27 0.98 -0.75 4.34 4.98 2gb7A1 ALA 181 HB3 -0.16 -0.01 -0.10 -0.04 1.41 1.10 2gb7A1 LYS 182 H 0.27 0.77 0.22 -0.55 8.42 9.14 2gb7A1 LYS 182 HA 0.16 0.07 0.46 -0.75 4.32 4.26 2gb7A1 LYS 182 HB2 0.10 -0.06 -0.05 -0.04 1.87 1.82 2gb7A1 LYS 182 HB3 0.08 0.14 0.03 -0.04 1.79 2.00 2gb7A1 LYS 182 HG2 0.07 0.09 0.08 -0.04 1.46 1.67 2gb7A1 LYS 182 HG3 0.09 -0.04 -0.42 -0.04 1.46 1.04 2gb7A1 LYS 182 HD2 0.10 -0.08 -0.18 -0.04 1.69 1.49 2gb7A1 LYS 182 HD3 0.07 -0.02 -0.10 -0.04 1.68 1.59 2gb7A1 LYS 182 HE2 0.05 -0.01 -0.13 -0.04 2.99 2.87 2gb7A1 LYS 182 HE3 0.04 0.14 -0.17 -0.04 2.99 2.96 2gb7A1 THR 183 H 0.08 0.18 0.08 -0.55 8.28 8.07 2gb7A1 THR 183 HA -0.45 0.00 0.39 -0.75 4.39 3.58 2gb7A1 THR 183 HB -0.24 0.01 0.01 -0.04 4.32 4.07 2gb7A1 THR 183 HG23 -0.25 0.02 -0.04 -0.04 1.22 0.91 2gb7A1 THR 184 H -0.01 0.19 0.02 -0.55 8.28 7.93 2gb7A1 THR 184 HA 0.05 0.09 0.77 -0.75 4.39 4.54 2gb7A1 THR 184 HB 0.05 -0.11 0.07 -0.04 4.32 4.29 2gb7A1 THR 184 HG23 -0.02 0.01 -0.13 -0.04 1.22 1.04 2gb7A1 LEU 185 H 0.13 0.05 0.11 -0.55 8.37 8.11 2gb7A1 LEU 185 HA 0.13 0.24 0.73 -0.75 4.35 4.69 2gb7A1 LEU 185 HB2 0.22 -0.03 0.06 -0.04 1.64 1.85 2gb7A1 LEU 185 HB3 0.35 0.00 -0.10 -0.04 1.64 1.85 2gb7A1 LEU 185 HG 0.06 -0.09 -0.07 -0.04 1.64 1.51 2gb7A1 LEU 185 HD13 -0.34 0.01 -0.07 -0.04 0.93 0.49 2gb7A1 LEU 185 HD23 0.05 0.04 -0.26 -0.04 0.89 0.68 2gb7A1 ARG 186 H 0.15 0.01 0.06 -0.55 8.46 8.13 2gb7A1 ARG 186 HA 0.14 0.09 0.31 -0.75 4.34 4.12 2gb7A1 ARG 186 HB2 0.05 0.07 0.02 -0.04 1.90 1.99 2gb7A1 ARG 186 HB3 0.05 -0.00 0.21 -0.04 1.80 2.02 2gb7A1 ARG 186 HG2 0.06 -0.08 -0.11 -0.04 1.67 1.50 2gb7A1 ARG 186 HG3 0.04 0.09 -0.03 -0.04 1.67 1.72 2gb7A1 ARG 186 HD2 0.05 0.05 0.03 -0.04 3.22 3.31 2gb7A1 ARG 186 HD3 0.08 -0.05 0.05 -0.04 3.22 3.26 2gb7A1 GLU 187 H 0.00 0.16 0.21 -0.55 8.60 8.43 2gb7A1 GLU 187 HA -0.18 0.17 0.82 -0.75 4.29 4.35 2gb7A1 GLU 187 HB2 -0.20 0.05 0.13 -0.04 2.09 2.02 2gb7A1 GLU 187 HB3 -0.04 -0.01 0.09 -0.04 1.99 1.98 2gb7A1 GLU 187 HG2 -0.24 0.00 -0.35 -0.04 2.34 1.71 2gb7A1 GLU 187 HG3 -0.12 0.05 -0.03 -0.04 2.34 2.20 2gb7A1 ARG 188 H -0.04 0.25 0.14 -0.55 8.46 8.26 2gb7A1 ARG 188 HA -0.17 0.06 0.38 -0.75 4.34 3.86 2gb7A1 ARG 188 HB2 0.02 0.19 0.13 -0.04 1.90 2.19 2gb7A1 ARG 188 HB3 -0.01 0.01 0.11 -0.04 1.80 1.86 2gb7A1 ARG 188 HG2 -0.05 0.03 0.04 -0.04 1.67 1.66 2gb7A1 ARG 188 HG3 -0.04 -0.13 0.07 -0.04 1.67 1.53 2gb7A1 ARG 188 HD2 0.00 0.04 0.01 -0.04 3.22 3.23 2gb7A1 ARG 188 HD3 -0.01 0.02 0.00 -0.04 3.22 3.19 2gb7A1 TRP 189 H 0.06 0.19 -0.49 -0.55 7.97 7.19 2gb7A1 TRP 189 HA -0.03 0.08 0.36 -0.75 4.62 4.28 2gb7A1 TRP 189 HB2 -0.06 0.04 -0.02 -0.04 3.23 3.16 2gb7A1 TRP 189 HB3 -0.06 -0.04 -0.02 -0.04 3.23 3.07 2gb7A1 TRP 189 HD1 0.01 0.09 -0.19 -0.04 7.22 7.08 2gb7A1 TRP 189 HE1 0.03 0.00 0.07 -0.04 10.20 10.26 2gb7A1 TRP 189 HE3 -0.03 -0.00 -0.45 -0.04 7.59 7.07 2gb7A1 TRP 189 HZ2 0.02 -0.03 -0.02 -0.04 7.44 7.37 2gb7A1 TRP 189 HZ3 -0.01 0.06 -0.12 -0.04 7.13 7.02 2gb7A1 TRP 189 HH2 0.01 0.02 -0.04 -0.04 7.19 7.13 2gb7A1 GLN 190 H -0.95 0.53 -0.37 -0.55 8.47 7.13 2gb7A1 GLN 190 HA -0.37 0.05 0.29 -0.75 4.36 3.57 2gb7A1 GLN 190 HB2 -0.53 0.06 0.06 -0.04 2.15 1.71 2gb7A1 GLN 190 HB3 -0.41 -0.01 0.05 -0.04 2.02 1.61 2gb7A1 GLN 190 HG2 -1.37 -0.02 0.02 -0.04 2.40 0.99 2gb7A1 GLN 190 HG3 -2.67 -0.05 0.07 -0.04 2.39 -0.31 2gb7A1 GLN 190 HE21 -0.23 -0.02 0.02 -0.04 6.97 6.70 2gb7A1 GLN 190 HE22 -0.44 -0.04 0.02 -0.04 7.69 7.19 2gb7A1 GLU 191 H -0.13 0.49 -0.37 -0.55 8.60 8.05 2gb7A1 GLU 191 HA -0.06 0.03 0.43 -0.75 4.29 3.94 2gb7A1 GLU 191 HB2 -0.02 0.11 0.05 -0.04 2.09 2.19 2gb7A1 GLU 191 HB3 -0.02 -0.06 0.02 -0.04 1.99 1.89 2gb7A1 GLU 191 HG2 -0.06 -0.02 0.02 -0.04 2.34 2.23 2gb7A1 GLU 191 HG3 -0.11 -0.03 0.08 -0.04 2.34 2.25 2gb7A1 VAL 192 H 0.05 0.52 -0.29 -0.55 8.24 7.97 2gb7A1 VAL 192 HA 0.02 0.00 0.30 -0.75 4.13 3.70 2gb7A1 VAL 192 HB 0.11 0.15 0.08 -0.04 2.12 2.41 2gb7A1 VAL 192 HG13 0.03 -0.01 -0.18 -0.04 0.97 0.77 2gb7A1 VAL 192 HG23 0.07 -0.01 -0.05 -0.04 0.95 0.91 2gb7A1 PRO 193 HA 0.04 0.14 0.46 -0.51 4.44 4.56 2gb7A1 PRO 193 HB2 0.07 0.04 -0.04 -0.04 2.28 2.31 2gb7A1 PRO 193 HB3 0.07 0.08 0.05 -0.04 2.02 2.18 2gb7A1 PRO 193 HG2 0.30 -0.01 -0.03 -0.04 2.03 2.24 2gb7A1 PRO 193 HG3 0.14 0.06 0.01 -0.04 2.03 2.20 2gb7A1 PRO 193 HD2 0.11 0.16 -0.02 -0.04 3.68 3.90 2gb7A1 PRO 193 HD3 0.20 0.14 0.13 -0.04 3.65 4.08 2gb7A1 GLU 194 H 0.01 0.31 -0.47 -0.55 8.60 7.89 2gb7A1 GLU 194 HA 0.00 0.04 0.44 -0.75 4.29 4.02 2gb7A1 GLU 194 HB2 -0.03 0.03 0.08 -0.04 2.09 2.14 2gb7A1 GLU 194 HB3 -0.02 0.15 0.10 -0.04 1.99 2.18 2gb7A1 GLU 194 HG2 -0.01 -0.01 0.04 -0.04 2.34 2.32 2gb7A1 GLU 194 HG3 -0.02 -0.04 -0.01 -0.04 2.34 2.23 2gb7A1 GLU 195 H 0.00 0.40 -0.18 -0.55 8.60 8.28 2gb7A1 GLU 195 HA -0.00 0.04 0.37 -0.75 4.29 3.94 2gb7A1 GLU 195 HB2 0.00 0.13 0.15 -0.04 2.09 2.33 2gb7A1 GLU 195 HB3 -0.00 -0.10 0.02 -0.04 1.99 1.86 2gb7A1 GLU 195 HG2 -0.01 0.12 0.03 -0.04 2.34 2.44 2gb7A1 GLU 195 HG3 -0.01 -0.12 -0.00 -0.04 2.34 2.17 2gb7A1 VAL 196 H 0.01 0.51 -0.11 -0.55 8.24 8.10 2gb7A1 VAL 196 HA 0.01 -0.04 0.28 -0.75 4.13 3.63 2gb7A1 VAL 196 HB 0.01 0.00 0.14 -0.04 2.12 2.23 2gb7A1 VAL 196 HG13 -0.00 0.07 -0.18 -0.04 0.97 0.82 2gb7A1 VAL 196 HG23 0.00 -0.00 -0.15 -0.04 0.95 0.76 2gb7A1 ASN 197 H 0.01 0.64 -0.10 -0.55 8.53 8.53 2gb7A1 ASN 197 HA 0.01 0.06 0.42 -0.75 4.76 4.49 2gb7A1 ASN 197 HB2 0.01 0.08 0.13 -0.04 2.88 3.06 2gb7A1 ASN 197 HB3 0.01 -0.06 0.04 -0.04 2.79 2.74 2gb7A1 ASN 197 HD21 0.02 -0.04 0.01 -0.04 7.03 6.97 2gb7A1 ASN 197 HD22 0.02 -0.02 -0.06 -0.04 7.74 7.64 2gb7A1 ARG 198 H 0.01 0.37 -0.30 -0.55 8.46 7.98 2gb7A1 ARG 198 HA 0.01 0.00 0.34 -0.75 4.34 3.93 2gb7A1 ARG 198 HB2 0.00 0.07 0.12 -0.04 1.90 2.06 2gb7A1 ARG 198 HB3 0.00 0.02 0.10 -0.04 1.80 1.88 2gb7A1 ARG 198 HG2 0.00 0.07 -0.13 -0.04 1.67 1.57 2gb7A1 ARG 198 HG3 0.00 -0.04 0.05 -0.04 1.67 1.64 2gb7A1 ARG 198 HD2 -0.00 -0.03 -0.03 -0.04 3.22 3.11 2gb7A1 ARG 198 HD3 -0.00 -0.03 -0.04 -0.04 3.22 3.10 2gb7A1 THR 199 H 0.02 0.31 -0.27 -0.55 8.28 7.79 2gb7A1 THR 199 HA 0.03 0.26 0.78 -0.75 4.39 4.70 2gb7A1 THR 199 HB 0.05 0.09 0.05 -0.04 4.32 4.47 2gb7A1 THR 199 HG23 0.01 -0.03 -0.33 -0.04 1.22 0.83 2gb7A1 GLY 200 H 0.02 0.25 -0.19 -0.55 8.43 7.97 2gb7A1 GLY 200 HA2 0.02 0.02 0.26 -0.51 4.01 3.80 2gb7A1 GLY 200 HA3 0.03 0.01 0.37 -0.51 4.01 3.91 2gb7A1 ILE 201 H 0.05 0.19 -0.14 -0.55 8.25 7.79 2gb7A1 ILE 201 HA 0.14 0.00 0.42 -0.75 4.18 3.98 2gb7A1 ILE 201 HB 0.03 -0.04 0.07 -0.04 1.89 1.92 2gb7A1 ILE 201 HG12 0.11 -0.00 0.01 -0.04 1.49 1.57 2gb7A1 ILE 201 HG13 0.08 0.11 -0.06 -0.04 1.21 1.29 2gb7A1 ILE 201 HG23 0.05 -0.04 -0.26 -0.04 0.93 0.64 2gb7A1 ILE 201 HD13 -0.01 -0.04 -0.10 -0.04 0.88 0.69 2gb7A1 ARG 202 H 0.09 0.07 0.20 -0.55 8.46 8.27 2gb7A1 ARG 202 HA 0.01 0.11 0.55 -0.75 4.34 4.25 2gb7A1 ARG 202 HB2 0.03 0.01 0.16 -0.04 1.90 2.05 2gb7A1 ARG 202 HB3 0.06 -0.04 0.16 -0.04 1.80 1.94 2gb7A1 ARG 202 HG2 0.00 0.01 -0.20 -0.04 1.67 1.44 2gb7A1 ARG 202 HG3 0.00 -0.00 0.06 -0.04 1.67 1.68 2gb7A1 ARG 202 HD2 0.01 -0.04 -0.00 -0.04 3.22 3.15 2gb7A1 ARG 202 HD3 0.02 -0.02 0.01 -0.04 3.22 3.19 2gb7A1 GLU 203 H 0.04 0.18 0.09 -0.55 8.60 8.37 2gb7A1 GLU 203 HA -0.06 0.40 0.59 -0.75 4.29 4.46 2gb7A1 GLU 203 HB2 -0.18 -0.01 0.07 -0.04 2.09 1.94 2gb7A1 GLU 203 HB3 -0.07 0.08 -0.06 -0.04 1.99 1.90 2gb7A1 GLU 203 HG2 0.04 -0.08 0.00 -0.04 2.34 2.26 2gb7A1 GLU 203 HG3 -0.01 -0.06 -0.19 -0.04 2.34 2.04 2gb7A1 MET 204 H -0.12 0.61 0.36 -0.55 8.47 8.77 2gb7A1 MET 204 HA 0.04 0.18 0.87 -0.75 4.52 4.85 2gb7A1 MET 204 HB2 0.00 0.03 -0.16 -0.04 2.15 1.99 2gb7A1 MET 204 HB3 -0.02 -0.03 -0.05 -0.04 2.03 1.89 2gb7A1 MET 204 HG2 0.03 0.08 -0.31 -0.04 2.63 2.39 2gb7A1 MET 204 HG3 0.04 -0.01 -0.15 -0.04 2.56 2.40 2gb7A1 MET 204 HE3 -0.00 0.01 -0.15 -0.04 2.10 1.91 2gb7A1 TYR 205 H 0.24 0.66 0.37 -0.55 8.29 9.01 2gb7A1 TYR 205 HA -0.02 0.20 0.97 -0.75 4.56 4.95 2gb7A1 TYR 205 HB2 0.00 0.02 0.24 -0.04 3.06 3.28 2gb7A1 TYR 205 HB3 -0.01 -0.06 -0.01 -0.04 2.98 2.86 2gb7A1 TYR 205 HD2 -0.01 0.07 -0.01 -0.04 7.15 7.16 2gb7A1 TYR 205 HE2 0.01 0.01 -0.08 -0.04 6.85 6.76 2gb7A1 LEU 206 H -0.00 0.88 0.27 -0.55 8.37 8.98 2gb7A1 LEU 206 HA 0.05 0.20 0.95 -0.75 4.35 4.80 2gb7A1 LEU 206 HB2 -0.00 0.01 -0.17 -0.04 1.64 1.44 2gb7A1 LEU 206 HB3 -0.06 -0.01 -0.00 -0.04 1.64 1.52 2gb7A1 LEU 206 HG -0.01 -0.03 -0.31 -0.04 1.64 1.24 2gb7A1 LEU 206 HD13 0.06 0.02 -0.27 -0.04 0.93 0.70 2gb7A1 LEU 206 HD23 0.01 -0.02 -0.12 -0.04 0.89 0.71 2gb7A1 ALA 207 H 0.10 0.75 0.29 -0.55 8.40 8.99 2gb7A1 ALA 207 HA 0.06 0.18 0.69 -0.75 4.34 4.52 2gb7A1 ALA 207 HB3 0.31 -0.02 0.06 -0.04 1.41 1.72 2gb7A1 THR 208 H 0.20 0.65 0.46 -0.55 8.28 9.04 2gb7A1 THR 208 HA 0.25 0.25 0.79 -0.75 4.39 4.93 2gb7A1 THR 208 HB 0.04 0.05 -0.27 -0.04 4.32 4.10 2gb7A1 THR 208 HG23 -0.02 0.01 -0.10 -0.04 1.22 1.07 2gb7A1 LEU 209 H -0.09 0.48 0.37 -0.55 8.37 8.58 2gb7A1 LEU 209 HA 0.09 0.06 0.91 -0.75 4.35 4.66 2gb7A1 LEU 209 HB2 -0.21 0.10 0.16 -0.04 1.64 1.64 2gb7A1 LEU 209 HB3 -0.09 -0.04 0.19 -0.04 1.64 1.66 2gb7A1 LEU 209 HG -0.65 -0.04 -0.12 -0.04 1.64 0.79 2gb7A1 LEU 209 HD13 -0.50 0.00 0.00 -0.04 0.93 0.40 2gb7A1 LEU 209 HD23 0.06 0.01 -0.02 -0.04 0.89 0.90 2gb7A1 ASP 210 H 0.10 0.08 0.08 -0.55 8.40 8.12 2gb7A1 ASP 210 HA 0.09 0.02 0.47 -0.75 4.63 4.46 2gb7A1 ASP 210 HB2 0.14 0.04 0.21 -0.04 2.71 3.06 2gb7A1 ASP 210 HB3 0.41 0.07 0.09 -0.04 2.70 3.23 2gb7A1 ASP 211 H 0.08 0.12 0.21 -0.55 8.40 8.26 2gb7A1 ASP 211 HA 0.09 0.23 0.80 -0.75 4.63 4.99 2gb7A1 ASP 211 HB2 0.07 0.04 0.17 -0.04 2.71 2.95 2gb7A1 ASP 211 HB3 0.06 0.06 0.06 -0.04 2.70 2.84 2gb7A1 SER 212 H 0.06 -0.08 -0.13 -0.55 8.46 7.76 2gb7A1 SER 212 HA -0.05 0.33 0.84 -0.75 4.49 4.86 2gb7A1 SER 212 HB2 0.03 0.07 0.07 -0.04 3.95 4.08 2gb7A1 SER 212 HB3 0.03 -0.02 -0.14 -0.04 3.93 3.76 2gb7A1 PHE 213 H -0.20 0.01 -0.04 -0.55 8.34 7.55 2gb7A1 PHE 213 HA 0.04 0.06 0.46 -0.75 4.62 4.43 2gb7A1 PHE 213 HB2 -0.15 0.01 0.04 -0.04 3.15 3.01 2gb7A1 PHE 213 HB3 -0.02 -0.09 0.05 -0.04 3.06 2.97 2gb7A1 PHE 213 HD2 -0.11 -0.08 -0.19 -0.04 7.28 6.86 2gb7A1 PHE 213 HE2 -0.42 0.13 -0.10 -0.04 7.38 6.96 2gb7A1 PHE 213 HZ -0.59 0.03 -0.14 -0.04 7.32 6.58 2gb7A1 SER 214 H 0.12 0.04 0.18 -0.55 8.46 8.25 2gb7A1 SER 214 HA 0.06 0.29 0.49 -0.75 4.49 4.58 2gb7A1 SER 214 HB2 0.03 -0.02 0.15 -0.04 3.95 4.08 2gb7A1 SER 214 HB3 0.06 0.15 0.12 -0.04 3.93 4.22 2gb7A1 GLU 215 H 0.03 0.24 0.17 -0.55 8.60 8.49 2gb7A1 GLU 215 HA 0.03 0.13 0.46 -0.75 4.29 4.16 2gb7A1 GLU 215 HB2 0.01 0.08 0.14 -0.04 2.09 2.29 2gb7A1 GLU 215 HB3 -0.00 -0.01 0.11 -0.04 1.99 2.04 2gb7A1 GLU 215 HG2 -0.02 0.06 -0.00 -0.04 2.34 2.34 2gb7A1 GLU 215 HG3 -0.03 -0.00 -0.12 -0.04 2.34 2.15 2gb7A1 GLU 216 H -0.00 0.08 -0.12 -0.55 8.60 8.02 2gb7A1 GLU 216 HA -0.02 0.13 0.42 -0.75 4.29 4.06 2gb7A1 GLU 216 HB2 0.01 0.04 0.09 -0.04 2.09 2.20 2gb7A1 GLU 216 HB3 0.02 -0.06 0.06 -0.04 1.99 1.97 2gb7A1 GLU 216 HG2 0.06 0.03 -0.03 -0.04 2.34 2.37 2gb7A1 GLU 216 HG3 0.04 0.01 -0.20 -0.04 2.34 2.15 2gb7A1 THR 217 H -0.10 0.01 -0.28 -0.55 8.28 7.36 2gb7A1 THR 217 HA -0.72 0.07 0.39 -0.75 4.39 3.38 2gb7A1 THR 217 HB -0.23 0.05 0.13 -0.04 4.32 4.22 2gb7A1 THR 217 HG23 -1.45 0.02 -0.14 -0.04 1.22 -0.39 2gb7A1 ILE 218 H -0.12 0.52 -0.13 -0.55 8.25 7.98 2gb7A1 ILE 218 HA -0.23 0.03 0.34 -0.75 4.18 3.57 2gb7A1 ILE 218 HB -0.04 0.07 0.15 -0.04 1.89 2.02 2gb7A1 ILE 218 HG12 -0.02 0.01 -0.07 -0.04 1.49 1.37 2gb7A1 ILE 218 HG13 0.11 -0.03 -0.07 -0.04 1.21 1.17 2gb7A1 ILE 218 HG23 -0.08 0.01 -0.17 -0.04 0.93 0.65 2gb7A1 ILE 218 HD13 0.08 -0.02 -0.17 -0.04 0.88 0.73 2gb7A1 ASN 219 H -0.09 0.55 -0.19 -0.55 8.53 8.25 2gb7A1 ASN 219 HA -0.03 0.04 0.43 -0.75 4.76 4.46 2gb7A1 ASN 219 HB2 -0.04 0.05 0.13 -0.04 2.88 2.98 2gb7A1 ASN 219 HB3 -0.01 -0.01 0.01 -0.04 2.79 2.73 2gb7A1 ASN 219 HD21 -0.06 -0.05 -0.04 -0.04 7.03 6.84 2gb7A1 ASN 219 HD22 -0.04 -0.04 -0.06 -0.04 7.74 7.56 2gb7A1 ILE 220 H -0.12 0.53 -0.05 -0.55 8.25 8.06 2gb7A1 ILE 220 HA 0.04 0.04 0.54 -0.75 4.18 4.04 2gb7A1 ILE 220 HB -0.20 0.01 0.15 -0.04 1.89 1.81 2gb7A1 ILE 220 HG12 0.08 -0.00 0.03 -0.04 1.49 1.55 2gb7A1 ILE 220 HG13 0.01 0.12 0.08 -0.04 1.21 1.37 2gb7A1 ILE 220 HG23 0.30 -0.00 -0.12 -0.04 0.93 1.06 2gb7A1 ILE 220 HD13 0.19 -0.04 -0.07 -0.04 0.88 0.93 2gb7A1 LEU 221 H -0.24 0.60 -0.07 -0.55 8.37 8.11 2gb7A1 LEU 221 HA 0.00 -0.02 0.43 -0.75 4.35 4.01 2gb7A1 LEU 221 HB2 -0.20 0.12 0.16 -0.04 1.64 1.68 2gb7A1 LEU 221 HB3 -0.11 0.11 -0.02 -0.04 1.64 1.57 2gb7A1 LEU 221 HG -0.50 -0.01 0.01 -0.04 1.64 1.10 2gb7A1 LEU 221 HD13 -0.36 -0.04 -0.14 -0.04 0.93 0.35 2gb7A1 LEU 221 HD23 0.17 -0.01 -0.07 -0.04 0.89 0.94 2gb7A1 TYR 222 H 0.06 0.52 -0.11 -0.55 8.29 8.21 2gb7A1 TYR 222 HA -0.08 0.06 0.44 -0.75 4.56 4.23 2gb7A1 TYR 222 HB2 -0.08 0.04 0.16 -0.04 3.06 3.15 2gb7A1 TYR 222 HB3 -0.06 0.10 0.24 -0.04 2.98 3.22 2gb7A1 TYR 222 HD2 -0.04 0.03 -0.03 -0.04 7.15 7.06 2gb7A1 TYR 222 HE2 -0.03 -0.01 -0.04 -0.04 6.85 6.74 2gb7A1 GLU 223 H 0.11 0.54 -0.09 -0.55 8.60 8.61 2gb7A1 GLU 223 HA -0.07 0.01 0.45 -0.75 4.29 3.92 2gb7A1 GLU 223 HB2 0.09 0.00 0.17 -0.04 2.09 2.30 2gb7A1 GLU 223 HB3 0.04 0.10 0.12 -0.04 1.99 2.22 2gb7A1 GLU 223 HG2 0.02 -0.02 0.09 -0.04 2.34 2.39 2gb7A1 GLU 223 HG3 0.04 -0.07 0.03 -0.04 2.34 2.29 2gb7A1 ALA 224 H -0.01 0.33 -0.44 -0.55 8.40 7.74 2gb7A1 ALA 224 HA -0.02 0.10 0.62 -0.75 4.34 4.29 2gb7A1 ALA 224 HB3 0.03 -0.03 0.12 -0.04 1.41 1.49 2gb7A1 ASN 225 H -0.15 0.46 -0.46 -0.55 8.53 7.83 2gb7A1 ASN 225 HA -0.20 0.03 0.30 -0.75 4.76 4.14 2gb7A1 ASN 225 HB2 -0.07 0.18 0.07 -0.04 2.88 3.01 2gb7A1 ASN 225 HB3 -0.11 -0.08 0.38 -0.04 2.79 2.94 2gb7A1 ASN 225 HD21 -0.08 -0.09 -0.02 -0.04 7.03 6.80 2gb7A1 ASN 225 HD22 -0.06 0.05 -0.16 -0.04 7.74 7.52 2gb7A1 VAL 226 H -0.08 0.59 -0.17 -0.55 8.24 8.03 2gb7A1 VAL 226 HA -0.12 0.22 0.88 -0.75 4.13 4.35 2gb7A1 VAL 226 HB -0.04 -0.06 0.03 -0.04 2.12 2.01 2gb7A1 VAL 226 HG13 -0.04 -0.03 -0.27 -0.04 0.97 0.59 2gb7A1 VAL 226 HG23 -0.00 0.02 -0.26 -0.04 0.95 0.66 2gb7A1 VAL 227 H -0.23 0.68 0.27 -0.55 8.24 8.42 2gb7A1 VAL 227 HA -0.11 0.17 0.70 -0.75 4.13 4.14 2gb7A1 VAL 227 HB -0.52 -0.07 0.10 -0.04 2.12 1.59 2gb7A1 VAL 227 HG13 -0.06 0.02 -0.13 -0.04 0.97 0.75 2gb7A1 VAL 227 HG23 -0.29 0.03 -0.16 -0.04 0.95 0.50 2gb7A1 VAL 228 H -0.13 0.27 0.22 -0.55 8.24 8.05 2gb7A1 VAL 228 HA -0.15 0.20 0.71 -0.75 4.13 4.13 2gb7A1 VAL 228 HB -0.30 -0.00 0.12 -0.04 2.12 1.90 2gb7A1 VAL 228 HG13 -0.50 -0.00 -0.13 -0.04 0.97 0.30 2gb7A1 VAL 228 HG23 -0.45 0.00 -0.05 -0.04 0.95 0.41 2gb7A1 VAL 229 H -0.12 0.69 0.29 -0.55 8.24 8.56 2gb7A1 VAL 229 HA -0.18 0.23 0.71 -0.75 4.13 4.14 2gb7A1 VAL 229 HB -0.17 -0.05 -0.08 -0.04 2.12 1.78 2gb7A1 VAL 229 HG13 -0.71 -0.01 -0.43 -0.04 0.97 -0.22 2gb7A1 VAL 229 HG23 0.10 0.03 -0.30 -0.04 0.95 0.74 2gb7A1 THR 230 H -0.25 0.65 0.28 -0.55 8.28 8.41 2gb7A1 THR 230 HA -0.17 0.26 0.74 -0.75 4.39 4.46 2gb7A1 THR 230 HB 0.06 0.03 -0.15 -0.04 4.32 4.22 2gb7A1 THR 230 HG23 0.09 0.05 -0.14 -0.04 1.22 1.18 2gb7A1 THR 231 H 0.25 0.24 0.22 -0.55 8.28 8.44 2gb7A1 THR 231 HA 0.43 0.00 0.64 -0.75 4.39 4.71 2gb7A1 THR 231 HB 0.16 -0.09 0.17 -0.04 4.32 4.52 2gb7A1 THR 231 HG23 0.25 0.06 0.12 -0.04 1.22 1.61 2gb7A1 VAL 232 H 0.15 0.10 0.26 -0.55 8.24 8.20 2gb7A1 VAL 232 HA 0.08 0.16 0.49 -0.75 4.13 4.11 2gb7A1 VAL 232 HB 0.08 -0.03 0.20 -0.04 2.12 2.32 2gb7A1 VAL 232 HG13 0.07 0.01 0.10 -0.04 0.97 1.11 2gb7A1 VAL 232 HG23 0.05 0.05 0.00 -0.04 0.95 1.02 2gb7A1 GLU 233 H 0.08 0.03 -0.12 -0.55 8.60 8.05 2gb7A1 GLU 233 HA 0.06 0.13 0.37 -0.75 4.29 4.10 2gb7A1 GLU 233 HB2 0.04 -0.05 0.10 -0.04 2.09 2.13 2gb7A1 GLU 233 HB3 0.03 0.02 -0.00 -0.04 1.99 2.00 2gb7A1 GLU 233 HG2 -0.04 0.04 -0.02 -0.04 2.34 2.28 2gb7A1 GLU 233 HG3 -0.04 0.04 -0.00 -0.04 2.34 2.30 2gb7A1 ASN 234 H 0.11 0.02 -0.29 -0.55 8.53 7.82 2gb7A1 ASN 234 HA 0.14 0.10 0.37 -0.75 4.76 4.62 2gb7A1 ASN 234 HB2 0.11 -0.04 0.06 -0.04 2.88 2.97 2gb7A1 ASN 234 HB3 0.15 0.02 0.05 -0.04 2.79 2.97 2gb7A1 ASN 234 HD21 0.22 0.31 -0.01 -0.04 7.03 7.51 2gb7A1 ASN 234 HD22 0.20 -0.10 -0.14 -0.04 7.74 7.66 2gb7A1 LYS 235 H 0.13 0.49 -0.15 -0.55 8.42 8.34 2gb7A1 LYS 235 HA 0.29 0.05 0.40 -0.75 4.32 4.30 2gb7A1 LYS 235 HB2 0.09 0.01 -0.07 -0.04 1.87 1.86 2gb7A1 LYS 235 HB3 0.09 0.02 -0.01 -0.04 1.79 1.85 2gb7A1 LYS 235 HG2 0.15 -0.04 -0.20 -0.04 1.46 1.32 2gb7A1 LYS 235 HG3 0.09 0.02 -0.18 -0.04 1.46 1.34 2gb7A1 LYS 235 HD2 0.05 -0.13 -0.15 -0.04 1.69 1.41 2gb7A1 LYS 235 HD3 0.06 -0.07 -0.16 -0.04 1.68 1.47 2gb7A1 LYS 235 HE2 0.06 0.11 -0.06 -0.04 2.99 3.06 2gb7A1 LYS 235 HE3 0.06 0.11 0.06 -0.04 2.99 3.18 2gb7A1 ASN 236 H 0.10 0.60 -0.14 -0.55 8.53 8.54 2gb7A1 ASN 236 HA 0.06 0.02 0.30 -0.75 4.76 4.38 2gb7A1 ASN 236 HB2 0.09 0.06 0.12 -0.04 2.88 3.11 2gb7A1 ASN 236 HB3 0.07 -0.01 0.00 -0.04 2.79 2.81 2gb7A1 ASN 236 HD21 0.04 -0.04 -0.01 -0.04 7.03 6.98 2gb7A1 ASN 236 HD22 0.05 -0.03 -0.04 -0.04 7.74 7.68 2gb7A1 PHE 237 H 0.20 0.36 -0.27 -0.55 8.34 8.07 2gb7A1 PHE 237 HA -0.04 0.07 0.51 -0.75 4.62 4.40 2gb7A1 PHE 237 HB2 -0.01 0.05 0.13 -0.04 3.15 3.27 2gb7A1 PHE 237 HB3 -0.04 0.00 0.11 -0.04 3.06 3.09 2gb7A1 PHE 237 HD2 -0.05 0.00 -0.01 -0.04 7.28 7.18 2gb7A1 PHE 237 HE2 -0.04 -0.01 0.01 -0.04 7.38 7.30 2gb7A1 PHE 237 HZ -0.03 -0.02 0.02 -0.04 7.32 7.25 2gb7A1 LYS 238 H -0.02 0.37 -0.11 -0.55 8.42 8.12 2gb7A1 LYS 238 HA -0.44 0.20 0.97 -0.75 4.32 4.29 2gb7A1 LYS 238 HB2 -0.53 0.08 0.05 -0.04 1.87 1.42 2gb7A1 LYS 238 HB3 -1.00 -0.03 0.04 -0.04 1.79 0.75 2gb7A1 LYS 238 HG2 0.12 -0.10 -0.10 -0.04 1.46 1.33 2gb7A1 LYS 238 HG3 -0.09 0.09 0.08 -0.04 1.46 1.50 2gb7A1 LYS 238 HD2 -0.33 -0.02 0.06 -0.04 1.69 1.35 2gb7A1 LYS 238 HD3 -0.32 0.04 -0.12 -0.04 1.68 1.24 2gb7A1 LYS 238 HE2 -0.02 -0.05 0.03 -0.04 2.99 2.90 2gb7A1 LYS 238 HE3 0.09 -0.07 0.05 -0.04 2.99 3.01 2gb7A1 TYR 239 H -0.03 0.70 0.14 -0.55 8.29 8.55 2gb7A1 TYR 239 HA -0.07 0.12 0.86 -0.75 4.56 4.72 2gb7A1 TYR 239 HB2 -0.00 0.00 0.10 -0.04 3.06 3.12 2gb7A1 TYR 239 HB3 -0.01 -0.05 0.16 -0.04 2.98 3.03 2gb7A1 TYR 239 HD2 -0.08 -0.01 -0.11 -0.04 7.15 6.92 2gb7A1 TYR 239 HE2 -0.39 0.03 -0.13 -0.04 6.85 6.32 2gb7A1 LYS 240 H -0.05 0.17 -0.11 -0.55 8.42 7.88 2gb7A1 LYS 240 HA 0.04 0.03 0.06 -0.75 4.32 3.70 2gb7A1 LYS 240 HB2 -0.02 0.30 0.15 -0.04 1.87 2.26 2gb7A1 LYS 240 HB3 -0.02 -0.07 0.07 -0.04 1.79 1.73 2gb7A1 LYS 240 HG2 0.01 -0.03 -0.06 -0.04 1.46 1.34 2gb7A1 LYS 240 HG3 0.03 -0.09 0.05 -0.04 1.46 1.41 2gb7A1 LYS 240 HD2 -0.01 0.21 0.09 -0.04 1.69 1.95 2gb7A1 LYS 240 HD3 -0.00 -0.05 0.01 -0.04 1.68 1.60 2gb7A1 LYS 240 HE2 0.04 -0.08 0.05 -0.04 2.99 2.96 2gb7A1 LYS 240 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 2gb7A1 ASN 241 H -0.01 0.06 -0.16 -0.55 8.53 7.88 2gb7A1 ASN 241 HA 0.00 0.10 0.33 -0.75 4.76 4.44 2gb7A1 ASN 241 HB2 -0.01 -0.00 0.07 -0.04 2.88 2.89 2gb7A1 ASN 241 HB3 -0.02 -0.00 0.06 -0.04 2.79 2.78 2gb7A1 ASN 241 HD21 -0.01 -0.02 -0.11 -0.04 7.03 6.84 2gb7A1 ASN 241 HD22 -0.01 -0.01 -0.21 -0.04 7.74 7.46 2gb7A1 ASN 242 H 0.05 0.49 -0.57 -0.55 8.53 7.96 2gb7A1 ASN 242 HA 0.00 0.03 0.38 -0.75 4.76 4.42 2gb7A1 ASN 242 HB2 0.08 -0.05 0.00 -0.04 2.88 2.87 2gb7A1 ASN 242 HB3 0.11 0.13 0.17 -0.04 2.79 3.16 2gb7A1 ASN 242 HD21 0.01 -0.02 -0.04 -0.04 7.03 6.95 2gb7A1 ASN 242 HD22 0.10 0.02 -0.02 -0.04 7.74 7.80 2gb7A1 ASN 243 H -0.02 0.18 0.23 -0.55 8.53 8.38 2gb7A1 ASN 243 HA 0.01 0.20 0.26 -0.75 4.76 4.47 2gb7A1 ASN 243 HB2 0.01 0.01 0.13 -0.04 2.88 2.99 2gb7A1 ASN 243 HB3 -0.00 0.05 0.09 -0.04 2.79 2.90 2gb7A1 ASN 243 HD21 -0.02 -0.01 0.00 -0.04 7.03 6.97 2gb7A1 ASN 243 HD22 -0.00 0.01 0.03 -0.04 7.74 7.74 2gb7A1 ARG 244 H -0.04 -0.02 -0.49 -0.55 8.46 7.36 2gb7A1 ARG 244 HA 0.01 0.19 0.64 -0.75 4.34 4.42 2gb7A1 ARG 244 HB2 -0.10 -0.06 -0.03 -0.04 1.90 1.67 2gb7A1 ARG 244 HB3 -0.06 0.04 0.10 -0.04 1.80 1.83 2gb7A1 ARG 244 HG2 -0.26 0.09 -0.04 -0.04 1.67 1.42 2gb7A1 ARG 244 HG3 -0.18 -0.10 -0.11 -0.04 1.67 1.24 2gb7A1 ARG 244 HD2 -0.30 -0.05 -0.04 -0.04 3.22 2.78 2gb7A1 ARG 244 HD3 -0.65 0.03 -0.04 -0.04 3.22 2.51 2gb7A1 VAL 245 H -0.00 0.49 -0.25 -0.55 8.24 7.93 2gb7A1 VAL 245 HA -0.06 0.18 0.99 -0.75 4.13 4.49 2gb7A1 VAL 245 HB 0.02 0.15 0.15 -0.04 2.12 2.40 2gb7A1 VAL 245 HG13 -0.06 -0.02 -0.17 -0.04 0.97 0.68 2gb7A1 VAL 245 HG23 -0.12 -0.05 -0.13 -0.04 0.95 0.61 2gb7A1 LEU 246 H -0.04 0.66 0.23 -0.55 8.37 8.67 2gb7A1 LEU 246 HA 0.01 0.17 0.77 -0.75 4.35 4.54 2gb7A1 LEU 246 HB2 -0.00 0.08 0.02 -0.04 1.64 1.70 2gb7A1 LEU 246 HB3 0.01 -0.07 0.06 -0.04 1.64 1.60 2gb7A1 LEU 246 HG 0.03 0.07 -0.14 -0.04 1.64 1.57 2gb7A1 LEU 246 HD13 0.18 -0.02 -0.13 -0.04 0.93 0.92 2gb7A1 LEU 246 HD23 0.04 0.01 -0.08 -0.04 0.89 0.83 2gb7A1 THR 247 H -0.00 0.11 0.21 -0.55 8.28 8.04 2gb7A1 THR 247 HA -0.09 0.46 0.93 -0.75 4.39 4.93 2gb7A1 THR 247 HB 0.06 -0.17 0.18 -0.04 4.32 4.35 2gb7A1 THR 247 HG23 0.04 0.07 -0.08 -0.04 1.22 1.21 2gb7A1 PHE 248 H 0.01 0.34 0.20 -0.55 8.34 8.33 2gb7A1 PHE 248 HA 0.03 0.13 0.47 -0.75 4.62 4.49 2gb7A1 PHE 248 HB2 0.05 -0.17 0.01 -0.04 3.15 3.00 2gb7A1 PHE 248 HB3 0.04 0.11 -0.07 -0.04 3.06 3.10 2gb7A1 PHE 248 HD2 0.06 -0.07 -0.15 -0.04 7.28 7.08 2gb7A1 PHE 248 HE2 0.10 -0.01 -0.12 -0.04 7.38 7.32 2gb7A1 PHE 248 HZ 0.34 0.01 -0.13 -0.04 7.32 7.51 2gb7A1 GLU 249 H 0.12 -0.03 -0.16 -0.55 8.60 7.99 2gb7A1 GLU 249 HA 0.06 0.26 0.44 -0.75 4.29 4.30 2gb7A1 GLU 249 HB2 0.06 -0.13 0.14 -0.04 2.09 2.12 2gb7A1 GLU 249 HB3 0.04 0.14 0.05 -0.04 1.99 2.17 2gb7A1 GLU 249 HG2 0.03 0.09 0.10 -0.04 2.34 2.53 2gb7A1 GLU 249 HG3 0.03 0.24 0.01 -0.04 2.34 2.58 2gb7A1 ASP 250 H 0.03 -0.03 -0.20 -0.55 8.40 7.65 2gb7A1 ASP 250 HA 0.03 0.09 0.38 -0.75 4.63 4.37 2gb7A1 ASP 250 HB2 0.02 0.11 0.20 -0.04 2.71 3.00 2gb7A1 ASP 250 HB3 0.04 0.09 -0.02 -0.04 2.70 2.77 2gb7A1 MET 251 H 0.01 0.43 -0.12 -0.55 8.47 8.24 2gb7A1 MET 251 HA -0.10 0.06 0.43 -0.75 4.52 4.16 2gb7A1 MET 251 HB2 -0.04 -0.01 0.01 -0.04 2.15 2.07 2gb7A1 MET 251 HB3 0.02 0.03 0.08 -0.04 2.03 2.13 2gb7A1 MET 251 HG2 -0.19 0.02 -0.22 -0.04 2.63 2.20 2gb7A1 MET 251 HG3 -0.61 0.01 -0.03 -0.04 2.56 1.90 2gb7A1 MET 251 HE3 0.18 0.01 -0.12 -0.04 2.10 2.13 2gb7A1 LEU 252 H 0.04 0.61 -0.15 -0.55 8.37 8.32 2gb7A1 LEU 252 HA -0.01 0.01 0.42 -0.75 4.35 4.01 2gb7A1 LEU 252 HB2 0.04 0.10 0.22 -0.04 1.64 1.96 2gb7A1 LEU 252 HB3 0.02 0.04 0.07 -0.04 1.64 1.73 2gb7A1 LEU 252 HG 0.02 0.09 -0.01 -0.04 1.64 1.71 2gb7A1 LEU 252 HD13 -0.01 -0.02 -0.08 -0.04 0.93 0.79 2gb7A1 LEU 252 HD23 0.05 -0.01 -0.09 -0.04 0.89 0.80 2gb7A1 GLN 253 H 0.01 0.41 -0.18 -0.55 8.47 8.17 2gb7A1 GLN 253 HA 0.02 0.04 0.47 -0.75 4.36 4.13 2gb7A1 GLN 253 HB2 0.02 0.12 0.17 -0.04 2.15 2.42 2gb7A1 GLN 253 HB3 0.02 0.03 0.08 -0.04 2.02 2.11 2gb7A1 GLN 253 HG2 0.02 -0.03 0.02 -0.04 2.40 2.36 2gb7A1 GLN 253 HG3 0.02 -0.02 0.03 -0.04 2.39 2.38 2gb7A1 GLN 253 HE21 0.01 -0.02 -0.06 -0.04 6.97 6.86 2gb7A1 GLN 253 HE22 0.02 0.02 0.00 -0.04 7.69 7.69 2gb7A1 SER 254 H -0.01 0.46 -0.15 -0.55 8.46 8.22 2gb7A1 SER 254 HA 0.03 0.02 0.48 -0.75 4.49 4.26 2gb7A1 SER 254 HB2 -0.08 0.08 0.15 -0.04 3.95 4.06 2gb7A1 SER 254 HB3 0.02 -0.01 -0.01 -0.04 3.93 3.89 2gb7A1 ALA 255 H -0.06 0.59 -0.11 -0.55 8.40 8.28 2gb7A1 ALA 255 HA -0.02 0.02 0.31 -0.75 4.34 3.90 2gb7A1 ALA 255 HB3 -0.05 0.02 0.02 -0.04 1.41 1.36 2gb7A1 MET 256 H 0.01 0.58 -0.16 -0.55 8.47 8.35 2gb7A1 MET 256 HA 0.04 0.05 0.44 -0.75 4.52 4.28 2gb7A1 MET 256 HB2 0.02 0.10 0.14 -0.04 2.15 2.36 2gb7A1 MET 256 HB3 0.03 0.05 0.13 -0.04 2.03 2.20 2gb7A1 MET 256 HG2 0.03 -0.06 -0.01 -0.04 2.63 2.55 2gb7A1 MET 256 HG3 0.03 -0.03 -0.11 -0.04 2.56 2.42 2gb7A1 MET 256 HE3 0.04 -0.01 -0.02 -0.04 2.10 2.07 2gb7A1 GLU 257 H 0.03 0.50 -0.17 -0.55 8.60 8.42 2gb7A1 GLU 257 HA 0.04 -0.02 0.36 -0.75 4.29 3.91 2gb7A1 GLU 257 HB2 0.04 0.12 0.18 -0.04 2.09 2.38 2gb7A1 GLU 257 HB3 0.03 -0.06 0.02 -0.04 1.99 1.94 2gb7A1 GLU 257 HG2 0.02 -0.08 0.04 -0.04 2.34 2.29 2gb7A1 GLU 257 HG3 0.03 0.15 0.13 -0.04 2.34 2.60 2gb7A1 LEU 258 H 0.07 0.52 -0.15 -0.55 8.37 8.26 2gb7A1 LEU 258 HA 0.11 -0.01 0.45 -0.75 4.35 4.14 2gb7A1 LEU 258 HB2 0.11 0.07 0.06 -0.04 1.64 1.84 2gb7A1 LEU 258 HB3 0.23 0.14 -0.11 -0.04 1.64 1.86 2gb7A1 LEU 258 HG 0.09 0.00 -0.00 -0.04 1.64 1.68 2gb7A1 LEU 258 HD13 0.12 -0.01 -0.25 -0.04 0.93 0.74 2gb7A1 LEU 258 HD23 0.11 -0.03 -0.02 -0.04 0.89 0.92 2gb7A1 SER 259 H 0.12 0.52 -0.20 -0.55 8.46 8.36 2gb7A1 SER 259 HA 0.33 0.04 0.40 -0.75 4.49 4.50 2gb7A1 SER 259 HB2 0.10 -0.04 0.11 -0.04 3.95 4.07 2gb7A1 SER 259 HB3 0.08 0.12 0.14 -0.04 3.93 4.22 2gb7A1 ARG 260 H 0.09 0.45 -0.25 -0.55 8.46 8.20 2gb7A1 ARG 260 HA 0.07 0.01 0.41 -0.75 4.34 4.08 2gb7A1 ARG 260 HB2 0.03 0.15 0.11 -0.04 1.90 2.15 2gb7A1 ARG 260 HB3 0.02 -0.09 0.07 -0.04 1.80 1.77 2gb7A1 ARG 260 HG2 0.04 -0.05 0.04 -0.04 1.67 1.66 2gb7A1 ARG 260 HG3 0.05 0.34 0.08 -0.04 1.67 2.10 2gb7A1 ARG 260 HD2 0.02 -0.01 0.01 -0.04 3.22 3.20 2gb7A1 ARG 260 HD3 0.02 -0.05 0.01 -0.04 3.22 3.16 2gb7A1 LYS 261 H 0.05 0.38 -0.35 -0.55 8.42 7.94 2gb7A1 LYS 261 HA -0.13 -0.02 0.42 -0.75 4.32 3.83 2gb7A1 LYS 261 HB2 -0.26 0.30 0.11 -0.04 1.87 1.97 2gb7A1 LYS 261 HB3 -0.37 -0.09 0.13 -0.04 1.79 1.42 2gb7A1 LYS 261 HG2 -0.07 -0.09 0.05 -0.04 1.46 1.30 2gb7A1 LYS 261 HG3 -0.01 0.17 0.16 -0.04 1.46 1.74 2gb7A1 LYS 261 HD2 -0.05 0.03 0.07 -0.04 1.69 1.70 2gb7A1 LYS 261 HD3 -0.13 -0.05 0.04 -0.04 1.68 1.49 2gb7A1 LYS 261 HE2 -0.00 0.02 -0.03 -0.04 2.99 2.94 2gb7A1 LYS 261 HE3 -0.02 -0.06 0.00 -0.04 2.99 2.87 2gb7A1 TRP 262 H 0.21 0.54 -0.64 -0.55 7.97 7.53 2gb7A1 TRP 262 HA 0.00 0.13 0.90 -0.75 4.62 4.90 2gb7A1 TRP 262 HB2 0.04 0.19 0.12 -0.04 3.23 3.53 2gb7A1 TRP 262 HB3 0.08 -0.10 0.13 -0.04 3.23 3.29 2gb7A1 TRP 262 HD1 0.03 0.17 -0.01 -0.04 7.22 7.37 2gb7A1 TRP 262 HE1 0.04 0.57 0.08 -0.04 10.20 10.86 2gb7A1 TRP 262 HE3 0.14 -0.04 0.02 -0.04 7.59 7.67 2gb7A1 TRP 262 HZ2 0.04 0.24 -0.12 -0.04 7.44 7.57 2gb7A1 TRP 262 HZ3 0.19 -0.10 -0.03 -0.04 7.13 7.15 2gb7A1 TRP 262 HH2 0.06 0.03 -0.06 -0.04 7.19 7.19 2gb7A1 ASN 263 H 0.10 0.40 -0.02 -0.55 8.53 8.46 2gb7A1 ASN 263 HA 0.13 0.18 0.60 -0.75 4.76 4.91 2gb7A1 ASN 263 HB2 0.05 -0.05 0.16 -0.04 2.88 3.01 2gb7A1 ASN 263 HB3 0.09 0.04 0.08 -0.04 2.79 2.95 2gb7A1 ASN 263 HD21 0.04 -0.05 0.10 -0.04 7.03 7.07 2gb7A1 ASN 263 HD22 0.05 -0.01 0.04 -0.04 7.74 7.78 2gb7A1 ASN 264 H 0.01 0.15 -0.40 -0.55 8.53 7.74 2gb7A1 ASN 264 HA 0.00 0.19 0.73 -0.75 4.76 4.94 2gb7A1 ASN 264 HB2 -0.01 -0.00 -0.14 -0.04 2.88 2.69 2gb7A1 ASN 264 HB3 -0.03 -0.01 0.13 -0.04 2.79 2.83 2gb7A1 ASN 264 HD21 -0.02 -0.04 0.01 -0.04 7.03 6.93 2gb7A1 ASN 264 HD22 -0.03 -0.01 0.04 -0.04 7.74 7.69 2gb7A1 VAL 265 H -0.02 0.31 -0.13 -0.55 8.24 7.85 2gb7A1 VAL 265 HA -0.16 0.13 0.90 -0.75 4.13 4.24 2gb7A1 VAL 265 HB -0.19 0.07 -0.03 -0.04 2.12 1.94 2gb7A1 VAL 265 HG13 0.06 0.04 -0.00 -0.04 0.97 1.03 2gb7A1 VAL 265 HG23 -0.49 -0.03 -0.16 -0.04 0.95 0.23 2gb7A1 SER 266 H -0.18 0.16 0.14 -0.55 8.46 8.04 2gb7A1 SER 266 HA -0.09 0.17 0.90 -0.75 4.49 4.72 2gb7A1 SER 266 HB2 -0.03 0.02 0.03 -0.04 3.95 3.93 2gb7A1 SER 266 HB3 -0.05 0.03 0.03 -0.04 3.93 3.90 2gb7A1 TYR 267 H 0.09 0.21 0.12 -0.55 8.29 8.16 2gb7A1 TYR 267 HA 0.05 0.17 0.88 -0.75 4.56 4.90 2gb7A1 TYR 267 HB2 0.04 0.04 0.04 -0.04 3.06 3.14 2gb7A1 TYR 267 HB3 0.04 -0.16 0.01 -0.04 2.98 2.83 2gb7A1 TYR 267 HD2 0.08 -0.01 -0.05 -0.04 7.15 7.13 2gb7A1 TYR 267 HE2 0.20 0.07 -0.06 -0.04 6.85 7.02 2gb7A1 THR 268 H 0.16 0.12 0.14 -0.55 8.28 8.15 2gb7A1 THR 268 HA 0.06 0.19 0.57 -0.75 4.39 4.45 2gb7A1 THR 268 HB 0.04 -0.04 0.17 -0.04 4.32 4.46 2gb7A1 THR 268 HG23 0.05 0.06 0.07 -0.04 1.22 1.36 2gb7A1 ASP 269 H 0.04 0.18 0.16 -0.55 8.40 8.23 2gb7A1 ASP 269 HA 0.03 0.15 0.41 -0.75 4.63 4.48 2gb7A1 ASP 269 HB2 0.02 -0.07 0.18 -0.04 2.71 2.80 2gb7A1 ASP 269 HB3 0.02 0.06 0.00 -0.04 2.70 2.74 2gb7A1 SER 270 H 0.03 0.08 -0.09 -0.55 8.46 7.93 2gb7A1 SER 270 HA 0.01 0.12 0.38 -0.75 4.49 4.24 2gb7A1 SER 270 HB2 0.01 0.03 0.09 -0.04 3.95 4.04 2gb7A1 SER 270 HB3 0.02 -0.03 0.06 -0.04 3.93 3.94 2gb7A1 GLU 271 H 0.05 0.01 -0.26 -0.55 8.60 7.84 2gb7A1 GLU 271 HA -0.01 0.06 0.31 -0.75 4.29 3.90 2gb7A1 GLU 271 HB2 0.14 -0.10 0.14 -0.04 2.09 2.23 2gb7A1 GLU 271 HB3 0.06 0.08 -0.04 -0.04 1.99 2.06 2gb7A1 GLU 271 HG2 0.05 0.02 -0.00 -0.04 2.34 2.37 2gb7A1 GLU 271 HG3 0.09 -0.06 0.05 -0.04 2.34 2.38 2gb7A1 LYS 272 H 0.05 0.66 -0.15 -0.55 8.42 8.43 2gb7A1 LYS 272 HA -0.14 0.04 0.41 -0.75 4.32 3.88 2gb7A1 LYS 272 HB2 0.11 0.02 0.01 -0.04 1.87 1.97 2gb7A1 LYS 272 HB3 0.03 0.06 0.05 -0.04 1.79 1.89 2gb7A1 LYS 272 HG2 0.01 -0.02 -0.07 -0.04 1.46 1.34 2gb7A1 LYS 272 HG3 0.05 0.04 0.05 -0.04 1.46 1.56 2gb7A1 LYS 272 HD2 0.05 -0.04 -0.03 -0.04 1.69 1.64 2gb7A1 LYS 272 HD3 0.04 0.03 -0.01 -0.04 1.68 1.70 2gb7A1 LYS 272 HE2 0.08 -0.03 0.01 -0.04 2.99 3.01 2gb7A1 LYS 272 HE3 0.12 0.12 0.02 -0.04 2.99 3.20 2gb7A1 GLU 273 H -0.01 0.50 -0.24 -0.55 8.60 8.30 2gb7A1 GLU 273 HA -0.02 0.02 0.48 -0.75 4.29 4.01 2gb7A1 GLU 273 HB2 -0.01 -0.04 0.10 -0.04 2.09 2.10 2gb7A1 GLU 273 HB3 -0.01 0.07 0.27 -0.04 1.99 2.28 2gb7A1 GLU 273 HG2 -0.02 0.03 -0.14 -0.04 2.34 2.17 2gb7A1 GLU 273 HG3 -0.02 -0.06 -0.16 -0.04 2.34 2.06 2gb7A1 GLU 274 H -0.04 0.64 -0.03 -0.55 8.60 8.63 2gb7A1 GLU 274 HA -0.04 0.01 0.40 -0.75 4.29 3.91 2gb7A1 GLU 274 HB2 -0.05 0.04 0.08 -0.04 2.09 2.12 2gb7A1 GLU 274 HB3 -0.04 -0.06 0.05 -0.04 1.99 1.90 2gb7A1 GLU 274 HG2 -0.02 0.49 0.01 -0.04 2.34 2.78 2gb7A1 GLU 274 HG3 -0.01 -0.06 -0.07 -0.04 2.34 2.16 2gb7A1 ILE 275 H -0.12 0.66 -0.07 -0.55 8.25 8.17 2gb7A1 ILE 275 HA -0.11 -0.10 0.42 -0.75 4.18 3.64 2gb7A1 ILE 275 HB -0.22 0.14 0.14 -0.04 1.89 1.90 2gb7A1 ILE 275 HG12 -0.24 -0.18 -0.03 -0.04 1.49 0.99 2gb7A1 ILE 275 HG13 -0.24 0.14 0.03 -0.04 1.21 1.09 2gb7A1 ILE 275 HG23 -0.16 0.01 -0.10 -0.04 0.93 0.63 2gb7A1 ILE 275 HD13 -0.91 0.00 -0.13 -0.04 0.88 -0.20 2gb7A1 GLN 276 H -0.07 0.67 -0.05 -0.55 8.47 8.47 2gb7A1 GLN 276 HA -0.05 0.04 0.51 -0.75 4.36 4.12 2gb7A1 GLN 276 HB2 -0.04 0.13 0.22 -0.04 2.15 2.42 2gb7A1 GLN 276 HB3 -0.03 -0.08 0.03 -0.04 2.02 1.90 2gb7A1 GLN 276 HG2 -0.02 0.02 0.09 -0.04 2.40 2.45 2gb7A1 GLN 276 HG3 -0.04 0.11 0.13 -0.04 2.39 2.56 2gb7A1 GLN 276 HE21 0.00 -0.08 -0.02 -0.04 6.97 6.83 2gb7A1 GLN 276 HE22 -0.00 0.14 0.02 -0.04 7.69 7.81 2gb7A1 GLN 277 H -0.05 0.52 -0.22 -0.55 8.47 8.17 2gb7A1 GLN 277 HA -0.05 -0.01 0.47 -0.75 4.36 4.02 2gb7A1 GLN 277 HB2 -0.04 0.10 0.20 -0.04 2.15 2.36 2gb7A1 GLN 277 HB3 -0.04 -0.06 0.07 -0.04 2.02 1.94 2gb7A1 GLN 277 HG2 -0.03 0.24 0.11 -0.04 2.40 2.68 2gb7A1 GLN 277 HG3 -0.03 -0.07 0.00 -0.04 2.39 2.25 2gb7A1 GLN 277 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.86 2gb7A1 GLN 277 HE22 -0.02 0.03 -0.01 -0.04 7.69 7.65 2gb7A1 SER 278 H -0.06 0.57 -0.07 -0.55 8.46 8.34 2gb7A1 SER 278 HA -0.07 0.01 0.55 -0.75 4.49 4.23 2gb7A1 SER 278 HB2 -0.06 0.18 0.23 -0.04 3.95 4.26 2gb7A1 SER 278 HB3 -0.05 -0.11 0.04 -0.04 3.93 3.77 2gb7A1 ILE 279 H -0.06 0.70 -0.00 -0.55 8.25 8.34 2gb7A1 ILE 279 HA -0.12 -0.00 0.48 -0.75 4.18 3.78 2gb7A1 ILE 279 HB -0.03 0.10 0.15 -0.04 1.89 2.06 2gb7A1 ILE 279 HG12 0.10 -0.04 0.03 -0.04 1.49 1.54 2gb7A1 ILE 279 HG13 -0.02 0.03 0.07 -0.04 1.21 1.25 2gb7A1 ILE 279 HG23 0.07 -0.00 -0.08 -0.04 0.93 0.87 2gb7A1 ILE 279 HD13 -0.02 0.00 -0.16 -0.04 0.88 0.66 2gb7A1 LEU 280 H -0.07 0.73 -0.06 -0.55 8.37 8.42 2gb7A1 LEU 280 HA -0.07 -0.02 0.45 -0.75 4.35 3.95 2gb7A1 LEU 280 HB2 -0.05 0.31 0.19 -0.04 1.64 2.05 2gb7A1 LEU 280 HB3 -0.06 0.05 0.12 -0.04 1.64 1.71 2gb7A1 LEU 280 HG -0.04 -0.02 -0.00 -0.04 1.64 1.54 2gb7A1 LEU 280 HD13 -0.05 -0.02 -0.06 -0.04 0.93 0.76 2gb7A1 LEU 280 HD23 -0.03 -0.01 0.02 -0.04 0.89 0.83 2gb7A1 LYS 281 H -0.10 0.55 -0.12 -0.55 8.42 8.19 2gb7A1 LYS 281 HA -0.11 -0.04 0.46 -0.75 4.32 3.88 2gb7A1 LYS 281 HB2 -0.10 0.18 0.27 -0.04 1.87 2.18 2gb7A1 LYS 281 HB3 -0.12 0.09 0.10 -0.04 1.79 1.81 2gb7A1 LYS 281 HG2 -0.08 0.04 0.09 -0.04 1.46 1.48 2gb7A1 LYS 281 HG3 -0.09 -0.07 0.12 -0.04 1.46 1.38 2gb7A1 LYS 281 HD2 -0.06 -0.08 0.04 -0.04 1.69 1.55 2gb7A1 LYS 281 HD3 -0.07 0.05 0.12 -0.04 1.68 1.73 2gb7A1 LYS 281 HE2 -0.06 0.11 -0.09 -0.04 2.99 2.92 2gb7A1 LYS 281 HE3 -0.06 0.02 0.02 -0.04 2.99 2.94 2gb7A1 GLN 282 H -0.25 0.33 -0.33 -0.55 8.47 7.68 2gb7A1 GLN 282 HA -0.29 0.09 0.61 -0.75 4.36 4.02 2gb7A1 GLN 282 HB2 -0.78 0.15 0.20 -0.04 2.15 1.68 2gb7A1 GLN 282 HB3 -1.04 -0.09 0.04 -0.04 2.02 0.89 2gb7A1 GLN 282 HG2 -0.10 -0.10 -0.02 -0.04 2.40 2.14 2gb7A1 GLN 282 HG3 -0.18 0.12 -0.05 -0.04 2.39 2.24 2gb7A1 GLN 282 HE21 0.05 -0.08 -0.04 -0.04 6.97 6.86 2gb7A1 GLN 282 HE22 -0.10 0.50 -0.20 -0.04 7.69 7.85 2gb7A1 ILE 283 H -0.27 0.62 0.05 -0.55 8.25 8.10 2gb7A1 ILE 283 HA -0.00 -0.00 0.47 -0.75 4.18 3.90 2gb7A1 ILE 283 HB -0.06 0.11 0.14 -0.04 1.89 2.04 2gb7A1 ILE 283 HG12 0.08 -0.03 0.03 -0.04 1.49 1.52 2gb7A1 ILE 283 HG13 -0.12 0.16 0.04 -0.04 1.21 1.25 2gb7A1 ILE 283 HG23 0.02 -0.02 -0.08 -0.04 0.93 0.81 2gb7A1 ILE 283 HD13 -0.00 -0.02 -0.13 -0.04 0.88 0.70 2gb7A1 GLU 284 H -0.12 0.54 -0.22 -0.55 8.60 8.25 2gb7A1 GLU 284 HA -0.06 -0.01 0.40 -0.75 4.29 3.88 2gb7A1 GLU 284 HB2 -0.11 0.23 0.20 -0.04 2.09 2.37 2gb7A1 GLU 284 HB3 -0.08 -0.07 0.01 -0.04 1.99 1.81 2gb7A1 GLU 284 HG2 -0.05 -0.07 0.02 -0.04 2.34 2.20 2gb7A1 GLU 284 HG3 -0.06 0.07 0.03 -0.04 2.34 2.34 2gb7A1 LYS 285 H -0.21 0.50 -0.01 -0.55 8.42 8.15 2gb7A1 LYS 285 HA -0.22 0.00 0.47 -0.75 4.32 3.82 2gb7A1 LYS 285 HB2 -0.46 0.17 0.29 -0.04 1.87 1.83 2gb7A1 LYS 285 HB3 -0.94 -0.09 0.03 -0.04 1.79 0.75 2gb7A1 LYS 285 HG2 -0.35 -0.02 0.12 -0.04 1.46 1.16 2gb7A1 LYS 285 HG3 -0.24 -0.07 0.11 -0.04 1.46 1.21 2gb7A1 LYS 285 HD2 -0.18 0.04 0.10 -0.04 1.69 1.60 2gb7A1 LYS 285 HD3 -0.22 0.51 0.05 -0.04 1.68 1.97 2gb7A1 LYS 285 HE2 -0.15 -0.02 -0.08 -0.04 2.99 2.70 2gb7A1 LYS 285 HE3 -0.13 -0.05 -0.02 -0.04 2.99 2.75 2gb7A1 TYR 286 H -0.08 0.47 -0.41 -0.55 8.29 7.72 2gb7A1 TYR 286 HA 0.14 0.08 0.69 -0.75 4.56 4.72 2gb7A1 TYR 286 HB2 0.08 0.19 0.06 -0.04 3.06 3.34 2gb7A1 TYR 286 HB3 0.17 -0.14 0.16 -0.04 2.98 3.12 2gb7A1 TYR 286 HD2 -0.24 0.07 -0.03 -0.04 7.15 6.91 2gb7A1 TYR 286 HE2 -0.81 -0.06 -0.04 -0.04 6.85 5.90 2gb7A1 SER 287 H 0.02 0.39 -0.50 -0.55 8.46 7.83 2gb7A1 SER 287 HA 0.04 0.08 0.35 -0.75 4.49 4.21 2gb7A1 SER 287 HB2 -0.02 0.19 0.18 -0.04 3.95 4.26 2gb7A1 SER 287 HB3 -0.03 -0.06 0.09 -0.04 3.93 3.88 2gb7A1 ASP 288 H -0.06 0.12 -0.30 -0.55 8.40 7.61 2gb7A1 ASP 288 HA -0.18 0.13 0.39 -0.75 4.63 4.21 2gb7A1 ASP 288 HB2 -0.57 -0.00 0.04 -0.04 2.71 2.13 2gb7A1 ASP 288 HB3 -0.50 -0.02 0.15 -0.04 2.70 2.29 2gb7A1 PHE 289 H 0.06 0.59 -0.46 -0.55 8.34 7.97 2gb7A1 PHE 289 HA -0.31 0.19 0.88 -0.75 4.62 4.63 2gb7A1 PHE 289 HB2 -0.02 0.08 0.17 -0.04 3.15 3.35 2gb7A1 PHE 289 HB3 -0.77 -0.10 0.05 -0.04 3.06 2.20 2gb7A1 PHE 289 HD2 -0.64 0.03 -0.04 -0.04 7.28 6.59 2gb7A1 PHE 289 HE2 0.07 0.03 -0.02 -0.04 7.38 7.42 2gb7A1 PHE 289 HZ 0.15 -0.07 -0.04 -0.04 7.32 7.33 2gb7A1 PRO 290 HA 0.13 0.11 0.35 -0.51 4.44 4.52 2gb7A1 PRO 290 HB2 0.26 -0.02 0.10 -0.04 2.28 2.57 2gb7A1 PRO 290 HB3 0.14 0.06 0.07 -0.04 2.02 2.25 2gb7A1 PRO 290 HG2 0.15 0.04 0.09 -0.04 2.03 2.27 2gb7A1 PRO 290 HG3 0.07 0.09 0.05 -0.04 2.03 2.21 2gb7A1 PRO 290 HD2 0.22 0.05 0.24 -0.04 3.68 4.14 2gb7A1 PRO 290 HD3 -0.03 0.44 0.10 -0.04 3.65 4.12 2gb7A1 TYR 291 H 0.58 0.14 -0.07 -0.55 8.29 8.39 2gb7A1 TYR 291 HA 0.17 0.11 0.42 -0.75 4.56 4.50 2gb7A1 TYR 291 HB2 0.25 0.01 0.09 -0.04 3.06 3.37 2gb7A1 TYR 291 HB3 0.40 -0.04 0.01 -0.04 2.98 3.31 2gb7A1 TYR 291 HD2 0.03 -0.02 -0.13 -0.04 7.15 6.99 2gb7A1 TYR 291 HE2 -0.06 0.10 -0.06 -0.04 6.85 6.80 2gb7A1 VAL 292 H 0.38 0.17 -0.28 -0.55 8.24 7.96 2gb7A1 VAL 292 HA 0.05 0.09 0.53 -0.75 4.13 4.04 2gb7A1 VAL 292 HB 0.21 0.19 0.14 -0.04 2.12 2.62 2gb7A1 VAL 292 HG13 -0.12 0.00 -0.10 -0.04 0.97 0.71 2gb7A1 VAL 292 HG23 0.19 -0.03 -0.03 -0.04 0.95 1.05 2gb7A1 VAL 293 H 0.22 0.58 0.07 -0.55 8.24 8.56 2gb7A1 VAL 293 HA 0.26 0.02 0.43 -0.75 4.13 4.09 2gb7A1 VAL 293 HB 0.12 0.03 0.10 -0.04 2.12 2.34 2gb7A1 VAL 293 HG13 0.08 -0.02 -0.06 -0.04 0.97 0.93 2gb7A1 VAL 293 HG23 0.14 0.09 -0.03 -0.04 0.95 1.11 2gb7A1 ASN 294 H 0.09 0.49 -0.32 -0.55 8.53 8.25 2gb7A1 ASN 294 HA 0.03 -0.02 0.33 -0.75 4.76 4.35 2gb7A1 ASN 294 HB2 0.04 0.04 0.09 -0.04 2.88 3.00 2gb7A1 ASN 294 HB3 -0.07 0.15 0.13 -0.04 2.79 2.96 2gb7A1 ASN 294 HD21 -0.05 -0.03 -0.06 -0.04 7.03 6.85 2gb7A1 ASN 294 HD22 -0.16 0.09 -0.09 -0.04 7.74 7.53 2gb7A1 TYR 295 H 0.00 0.36 -0.15 -0.55 8.29 7.95 2gb7A1 TYR 295 HA -0.20 0.03 0.46 -0.75 4.56 4.10 2gb7A1 TYR 295 HB2 -0.35 0.03 0.15 -0.04 3.06 2.85 2gb7A1 TYR 295 HB3 -0.31 0.11 0.26 -0.04 2.98 3.00 2gb7A1 TYR 295 HD2 -0.76 0.05 0.00 -0.04 7.15 6.40 2gb7A1 TYR 295 HE2 -0.51 0.04 -0.13 -0.04 6.85 6.21 2gb7A1 TYR 296 H 0.11 0.49 -0.19 -0.55 8.29 8.16 2gb7A1 TYR 296 HA -0.29 0.04 0.40 -0.75 4.56 3.95 2gb7A1 TYR 296 HB2 0.04 0.11 0.13 -0.04 3.06 3.29 2gb7A1 TYR 296 HB3 -0.02 -0.04 -0.01 -0.04 2.98 2.87 2gb7A1 TYR 296 HD2 0.07 0.04 -0.06 -0.04 7.15 7.16 2gb7A1 TYR 296 HE2 0.11 0.00 -0.00 -0.04 6.85 6.92 2gb7A1 ARG 297 H 0.07 0.63 -0.04 -0.55 8.46 8.57 2gb7A1 ARG 297 HA 0.02 -0.02 0.44 -0.75 4.34 4.02 2gb7A1 ARG 297 HB2 0.01 0.09 0.15 -0.04 1.90 2.12 2gb7A1 ARG 297 HB3 0.01 -0.06 -0.00 -0.04 1.80 1.71 2gb7A1 ARG 297 HG2 0.05 -0.07 0.04 -0.04 1.67 1.65 2gb7A1 ARG 297 HG3 0.06 0.18 -0.06 -0.04 1.67 1.80 2gb7A1 ARG 297 HD2 0.03 -0.02 -0.04 -0.04 3.22 3.14 2gb7A1 ARG 297 HD3 0.02 -0.03 -0.01 -0.04 3.22 3.16 2gb7A1 ASN 298 H -0.07 0.58 -0.11 -0.55 8.53 8.38 2gb7A1 ASN 298 HA -0.04 -0.03 0.47 -0.75 4.76 4.40 2gb7A1 ASN 298 HB2 -0.17 0.23 0.14 -0.04 2.88 3.03 2gb7A1 ASN 298 HB3 -0.08 -0.05 0.01 -0.04 2.79 2.63 2gb7A1 ASN 298 HD21 -0.05 -0.09 -0.05 -0.04 7.03 6.79 2gb7A1 ASN 298 HD22 -0.08 0.03 0.02 -0.04 7.74 7.66 2gb7A1 ARG 299 H -0.19 0.36 -0.22 -0.55 8.46 7.85 2gb7A1 ARG 299 HA -0.09 0.04 0.42 -0.75 4.34 3.95 2gb7A1 ARG 299 HB2 -0.14 0.11 0.18 -0.04 1.90 2.01 2gb7A1 ARG 299 HB3 -0.10 -0.06 0.06 -0.04 1.80 1.66 2gb7A1 ARG 299 HG2 -0.26 -0.01 0.02 -0.04 1.67 1.38 2gb7A1 ARG 299 HG3 -0.58 0.22 0.10 -0.04 1.67 1.37 2gb7A1 ARG 299 HD2 -0.63 -0.01 -0.04 -0.04 3.22 2.49 2gb7A1 ARG 299 HD3 -0.79 -0.03 -0.03 -0.04 3.22 2.33 2gb7A1 LEU 300 H -0.03 0.38 -0.25 -0.55 8.37 7.93 2gb7A1 LEU 300 HA -0.01 0.03 0.46 -0.75 4.35 4.07 2gb7A1 LEU 300 HB2 0.00 0.04 0.08 -0.04 1.64 1.72 2gb7A1 LEU 300 HB3 -0.00 0.07 0.12 -0.04 1.64 1.78 2gb7A1 LEU 300 HG -0.01 -0.01 -0.03 -0.04 1.64 1.55 2gb7A1 LEU 300 HD13 -0.02 -0.02 0.07 -0.04 0.93 0.92 2gb7A1 LEU 300 HD23 -0.01 -0.02 -0.03 -0.04 0.89 0.78 2gb7A1 SER 301 H -0.01 0.49 -0.05 -0.55 8.46 8.33 2gb7A1 SER 301 HA 0.00 0.07 0.64 -0.75 4.49 4.45 2gb7A1 SER 301 HB2 0.00 -0.09 0.13 -0.04 3.95 3.95 2gb7A1 SER 301 HB3 -0.00 -0.06 0.06 -0.04 3.93 3.89 2gb7A1 ALA 302 H -0.00 0.28 -0.50 -0.55 8.40 7.63 2gb7A1 ALA 302 HA 0.01 0.08 0.48 -0.75 4.34 4.16 2gb7A1 ALA 302 HB3 0.01 0.04 0.09 -0.04 1.41 1.51