============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 33 0.900 -22.622 5.182 -27.631 -99.200 -91.000 TRP 34 1.040 -29.909 7.249 -24.307 -99.200 -91.000 TRP6 34 1.020 -31.457 9.029 -24.292 -99.200 -91.000 TYR 35 0.840 -22.083 10.396 -23.825 -99.200 -91.000 TRP 46 1.040 -26.592 6.962 -15.883 -99.200 -91.000 TRP6 46 1.020 -24.669 7.412 -14.583 -99.200 -91.000 TYR 48 0.840 -22.143 -0.345 -23.459 -99.200 -91.000 PHE 61 1.000 -30.583 5.872 -14.771 -99.200 -91.000 TYR 70 0.840 -32.192 5.299 -31.682 -99.200 -91.000 TYR 85 0.840 -30.356 11.467 -17.179 -99.200 -91.000 TYR 86 0.840 -26.314 17.092 -22.488 -99.200 -91.000 TRP 90 1.040 -21.185 4.945 -32.732 -99.200 -91.000 TRP6 90 1.020 -23.009 4.355 -31.351 -99.200 -91.000 PHE 97 1.000 -21.990 14.574 -27.714 -99.200 -91.000 PHE 117 1.000 -26.107 40.328 2.361 -99.200 -91.000 PHE 134 1.000 -26.256 36.817 -1.859 -99.200 -91.000 PHE 138 1.000 -35.763 30.387 -5.499 -99.200 -91.000 TYR 139 0.840 -39.415 22.383 -5.919 -99.200 -91.000 TRP 147 1.040 -32.911 45.085 -7.228 -99.200 -91.000 TRP6 147 1.020 -31.804 45.086 -5.135 -99.200 -91.000 TRP 162 1.040 -32.631 33.226 -11.885 -99.200 -91.000 TRP6 162 1.020 -32.078 34.572 -13.752 -99.200 -91.000 TYR 172 0.840 -34.665 24.684 -8.899 -99.200 -91.000 TYR 185 0.840 -25.922 53.544 -1.578 -99.200 -91.000 HIS 188 0.900 -32.799 58.278 -4.995 -99.200 -91.000 TYR 191 0.840 -30.539 52.380 -2.175 -99.200 -91.000 HIS 197 0.900 -41.502 30.554 -4.257 -99.200 -91.000 PHE 208 1.000 -29.398 49.060 2.098 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z92B1 GLU 1 HA 0.01 -0.01 0.13 -0.75 4.29 3.67 2z92B1 GLU 1 HB2 0.01 -0.01 0.03 -0.04 2.09 2.07 2z92B1 GLU 1 HB3 0.01 -0.04 0.04 -0.04 1.99 1.96 2z92B1 GLU 1 HG2 0.01 -0.01 0.05 -0.04 2.34 2.35 2z92B1 GLU 1 HG3 0.01 0.00 0.05 -0.04 2.34 2.37 2z92B1 LEU 2 H -0.00 0.18 0.06 -0.55 8.37 8.05 2z92B1 LEU 2 HA -0.00 -0.00 0.45 -0.75 4.35 4.04 2z92B1 LEU 2 HB2 -0.02 0.01 0.06 -0.04 1.64 1.65 2z92B1 LEU 2 HB3 -0.02 0.04 0.08 -0.04 1.64 1.70 2z92B1 LEU 2 HG -0.01 -0.10 -0.04 -0.04 1.64 1.45 2z92B1 LEU 2 HD13 -0.05 0.02 -0.13 -0.04 0.93 0.74 2z92B1 LEU 2 HD23 -0.02 0.03 -0.47 -0.04 0.89 0.39 2z92B1 VAL 3 H 0.00 0.04 0.17 -0.55 8.24 7.91 2z92B1 VAL 3 HA 0.02 0.23 0.88 -0.75 4.13 4.50 2z92B1 VAL 3 HB 0.02 -0.08 0.17 -0.04 2.12 2.19 2z92B1 VAL 3 HG13 0.03 -0.00 -0.17 -0.04 0.97 0.78 2z92B1 VAL 3 HG23 0.02 0.03 -0.02 -0.04 0.95 0.94 2z92B1 MET 4 H 0.02 0.31 0.08 -0.55 8.47 8.34 2z92B1 MET 4 HA 0.01 0.18 0.74 -0.75 4.52 4.70 2z92B1 MET 4 HB2 0.02 -0.01 -0.08 -0.04 2.15 2.04 2z92B1 MET 4 HB3 -0.02 -0.03 -0.21 -0.04 2.03 1.73 2z92B1 MET 4 HG2 -0.03 0.09 -0.30 -0.04 2.63 2.35 2z92B1 MET 4 HG3 -0.08 0.01 -0.31 -0.04 2.56 2.13 2z92B1 MET 4 HE3 -0.02 0.06 -0.43 -0.04 2.10 1.66 2z92B1 THR 5 H 0.04 0.76 0.25 -0.55 8.28 8.78 2z92B1 THR 5 HA 0.05 0.07 0.77 -0.75 4.39 4.53 2z92B1 THR 5 HB 0.05 0.02 0.19 -0.04 4.32 4.53 2z92B1 THR 5 HG23 0.04 0.00 -0.07 -0.04 1.22 1.15 2z92B1 GLN 6 H 0.07 0.15 0.20 -0.55 8.47 8.34 2z92B1 GLN 6 HA 0.12 0.31 0.95 -0.75 4.36 4.99 2z92B1 GLN 6 HB2 0.10 0.06 0.00 -0.04 2.15 2.27 2z92B1 GLN 6 HB3 0.15 0.13 -0.12 -0.04 2.02 2.13 2z92B1 GLN 6 HG2 0.06 0.08 -0.09 -0.04 2.40 2.41 2z92B1 GLN 6 HG3 0.08 -0.06 -0.06 -0.04 2.39 2.31 2z92B1 GLN 6 HE21 0.19 0.44 0.34 -0.04 6.97 7.90 2z92B1 GLN 6 HE22 0.27 0.11 -0.08 -0.04 7.69 7.95 2z92B1 THR 7 H 0.13 0.54 0.28 -0.55 8.28 8.69 2z92B1 THR 7 HA 0.06 0.08 0.76 -0.75 4.39 4.54 2z92B1 THR 7 HB 0.05 0.02 -0.04 -0.04 4.32 4.31 2z92B1 THR 7 HG23 0.04 -0.00 -0.05 -0.04 1.22 1.17 2z92B1 PRO 8 HA 0.04 0.04 0.41 -0.51 4.44 4.42 2z92B1 PRO 8 HB2 0.02 0.07 0.13 -0.04 2.28 2.46 2z92B1 PRO 8 HB3 0.02 0.01 0.16 -0.04 2.02 2.17 2z92B1 PRO 8 HG2 0.03 -0.02 -0.21 -0.04 2.03 1.80 2z92B1 PRO 8 HG3 0.02 0.03 0.06 -0.04 2.03 2.11 2z92B1 PRO 8 HD2 0.03 0.20 0.62 -0.04 3.68 4.49 2z92B1 PRO 8 HD3 0.03 0.06 0.08 -0.04 3.65 3.77 2z92B1 ALA 9 H 0.03 0.10 0.21 -0.55 8.40 8.19 2z92B1 ALA 9 HA 0.04 0.28 0.59 -0.75 4.34 4.50 2z92B1 ALA 9 HB3 0.02 -0.01 0.16 -0.04 1.41 1.54 2z92B1 ILE 10 H 0.02 0.12 -0.02 -0.55 8.25 7.82 2z92B1 ILE 10 HA 0.03 0.21 0.83 -0.75 4.18 4.50 2z92B1 ILE 10 HB -0.00 -0.07 0.01 -0.04 1.89 1.79 2z92B1 ILE 10 HG12 0.01 0.14 -0.06 -0.04 1.49 1.54 2z92B1 ILE 10 HG13 0.01 -0.17 -0.54 -0.04 1.21 0.46 2z92B1 ILE 10 HG23 0.01 0.01 0.00 -0.04 0.93 0.92 2z92B1 ILE 10 HD13 -0.02 -0.01 -0.04 -0.04 0.88 0.77 2z92B1 MET 11 H 0.04 0.72 0.33 -0.55 8.47 9.01 2z92B1 MET 11 HA 0.02 0.05 0.62 -0.75 4.52 4.45 2z92B1 MET 11 HB2 0.02 0.03 0.12 -0.04 2.15 2.28 2z92B1 MET 11 HB3 0.02 0.06 -0.18 -0.04 2.03 1.90 2z92B1 MET 11 HG2 0.04 -0.01 -0.24 -0.04 2.63 2.37 2z92B1 MET 11 HG3 0.03 -0.02 -0.25 -0.04 2.56 2.28 2z92B1 MET 11 HE3 -0.01 -0.01 -0.02 -0.04 2.10 2.02 2z92B1 SER 12 H 0.03 0.21 0.23 -0.55 8.46 8.39 2z92B1 SER 12 HA 0.07 0.40 1.02 -0.75 4.49 5.22 2z92B1 SER 12 HB2 0.12 -0.01 -0.11 -0.04 3.95 3.91 2z92B1 SER 12 HB3 0.09 -0.02 -0.14 -0.04 3.93 3.82 2z92B1 ALA 13 H 0.06 0.46 0.33 -0.55 8.40 8.70 2z92B1 ALA 13 HA 0.02 0.07 0.66 -0.75 4.34 4.33 2z92B1 ALA 13 HB3 0.00 0.04 -0.13 -0.04 1.41 1.28 2z92B1 SER 14 H 0.01 0.13 0.14 -0.55 8.46 8.19 2z92B1 SER 14 HA 0.00 0.19 0.65 -0.75 4.49 4.58 2z92B1 SER 14 HB2 -0.00 -0.00 -0.00 -0.04 3.95 3.90 2z92B1 SER 14 HB3 -0.01 0.09 0.07 -0.04 3.93 4.05 2z92B1 PRO 15 HA -0.01 0.02 0.19 -0.51 4.44 4.13 2z92B1 PRO 15 HB2 -0.01 0.06 0.03 -0.04 2.28 2.33 2z92B1 PRO 15 HB3 -0.00 -0.14 0.05 -0.04 2.02 1.88 2z92B1 PRO 15 HG2 -0.01 0.02 0.11 -0.04 2.03 2.11 2z92B1 PRO 15 HG3 -0.02 0.04 0.09 -0.04 2.03 2.10 2z92B1 PRO 15 HD2 -0.02 0.10 0.24 -0.04 3.68 3.96 2z92B1 PRO 15 HD3 -0.01 0.18 0.16 -0.04 3.65 3.94 2z92B1 GLY 16 H -0.02 0.60 0.22 -0.55 8.43 8.68 2z92B1 GLY 16 HA2 -0.02 -0.02 0.33 -0.51 4.01 3.79 2z92B1 GLY 16 HA3 -0.02 0.14 0.75 -0.51 4.01 4.38 2z92B1 GLU 17 H -0.02 0.42 -0.18 -0.55 8.60 8.28 2z92B1 GLU 17 HA -0.03 0.07 0.53 -0.75 4.29 4.11 2z92B1 GLU 17 HB2 -0.02 0.03 0.06 -0.04 2.09 2.12 2z92B1 GLU 17 HB3 -0.02 0.14 0.03 -0.04 1.99 2.09 2z92B1 GLU 17 HG2 -0.01 0.01 0.04 -0.04 2.34 2.34 2z92B1 GLU 17 HG3 -0.01 0.04 -0.00 -0.04 2.34 2.33 2z92B1 LYS 18 H -0.04 0.06 0.22 -0.55 8.42 8.11 2z92B1 LYS 18 HA -0.08 0.35 0.60 -0.75 4.32 4.44 2z92B1 LYS 18 HB2 -0.05 0.07 0.19 -0.04 1.87 2.04 2z92B1 LYS 18 HB3 -0.04 -0.11 0.16 -0.04 1.79 1.76 2z92B1 LYS 18 HG2 -0.06 -0.05 -0.28 -0.04 1.46 1.03 2z92B1 LYS 18 HG3 -0.07 0.08 0.03 -0.04 1.46 1.46 2z92B1 LYS 18 HD2 -0.04 0.00 0.01 -0.04 1.69 1.62 2z92B1 LYS 18 HD3 -0.04 -0.06 -0.04 -0.04 1.68 1.51 2z92B1 LYS 18 HE2 -0.05 -0.02 -0.13 -0.04 2.99 2.75 2z92B1 LYS 18 HE3 -0.06 0.02 -0.10 -0.04 2.99 2.81 2z92B1 VAL 19 H -0.12 0.71 0.29 -0.55 8.24 8.57 2z92B1 VAL 19 HA -0.07 0.19 1.05 -0.75 4.13 4.55 2z92B1 VAL 19 HB -0.16 -0.07 0.05 -0.04 2.12 1.90 2z92B1 VAL 19 HG13 -0.11 0.01 -0.25 -0.04 0.97 0.58 2z92B1 VAL 19 HG23 -0.06 0.03 -0.29 -0.04 0.95 0.58 2z92B1 THR 20 H -0.06 0.24 0.16 -0.55 8.28 8.08 2z92B1 THR 20 HA -0.11 0.34 1.10 -0.75 4.39 4.96 2z92B1 THR 20 HB -0.03 -0.04 0.04 -0.04 4.32 4.25 2z92B1 THR 20 HG23 -0.02 -0.00 -0.17 -0.04 1.22 0.98 2z92B1 MET 21 H -0.10 0.56 0.37 -0.55 8.47 8.75 2z92B1 MET 21 HA 0.04 0.28 0.96 -0.75 4.52 5.04 2z92B1 MET 21 HB2 0.13 0.06 0.03 -0.04 2.15 2.32 2z92B1 MET 21 HB3 -0.00 0.01 -0.08 -0.04 2.03 1.92 2z92B1 MET 21 HG2 -0.24 0.12 0.03 -0.04 2.63 2.50 2z92B1 MET 21 HG3 -0.18 -0.12 -0.06 -0.04 2.56 2.16 2z92B1 MET 21 HE3 -0.31 -0.00 -0.19 -0.04 2.10 1.55 2z92B1 THR 22 H 0.14 0.63 0.38 -0.55 8.28 8.88 2z92B1 THR 22 HA 0.27 0.26 1.27 -0.75 4.39 5.43 2z92B1 THR 22 HB 0.13 0.02 0.05 -0.04 4.32 4.48 2z92B1 THR 22 HG23 0.07 -0.00 -0.15 -0.04 1.22 1.10 2z92B1 CYS 23 H 0.30 0.93 0.31 -0.55 8.50 9.49 2z92B1 CYS 23 HA 0.12 0.20 0.86 -0.75 4.58 5.01 2z92B1 CYS 23 HB2 -0.07 0.01 -0.23 -0.04 2.97 2.65 2z92B1 CYS 23 HB3 0.18 -0.08 0.01 -0.04 2.97 3.04 2z92B1 SER 24 H 0.09 0.73 0.25 -0.55 8.46 8.98 2z92B1 SER 24 HA 0.11 0.36 1.22 -0.75 4.49 5.42 2z92B1 SER 24 HB2 0.06 -0.05 0.04 -0.04 3.95 3.96 2z92B1 SER 24 HB3 0.06 0.00 0.19 -0.04 3.93 4.14 2z92B1 ALA 25 H 0.10 0.61 0.33 -0.55 8.40 8.90 2z92B1 ALA 25 HA 0.03 0.17 0.75 -0.75 4.34 4.53 2z92B1 ALA 25 HB3 0.04 -0.03 0.10 -0.04 1.41 1.48 2z92B1 SER 26 H 0.01 0.32 0.29 -0.55 8.46 8.54 2z92B1 SER 26 HA 0.01 0.12 0.59 -0.75 4.49 4.47 2z92B1 SER 26 HB2 0.01 -0.01 0.19 -0.04 3.95 4.10 2z92B1 SER 26 HB3 0.01 0.09 0.21 -0.04 3.93 4.20 2z92B1 SER 27 H 0.00 0.15 -0.19 -0.55 8.46 7.88 2z92B1 SER 27 HA -0.00 0.14 0.63 -0.75 4.49 4.51 2z92B1 SER 27 HB2 -0.02 -0.05 -0.07 -0.04 3.95 3.78 2z92B1 SER 27 HB3 -0.01 0.03 0.05 -0.04 3.93 3.95 2z92B1 SER 29 H -0.01 0.09 0.08 -0.55 8.46 8.07 2z92B1 SER 29 HA 0.01 0.13 0.33 -0.75 4.49 4.20 2z92B1 SER 29 HB2 -0.02 -0.02 0.10 -0.04 3.95 3.96 2z92B1 SER 29 HB3 -0.02 0.03 -0.04 -0.04 3.93 3.86 2z92B1 VAL 30 H 0.04 0.76 0.37 -0.55 8.24 8.86 2z92B1 VAL 30 HA -0.13 0.08 0.79 -0.75 4.13 4.12 2z92B1 VAL 30 HB -0.25 -0.10 0.14 -0.04 2.12 1.87 2z92B1 VAL 30 HG13 -0.09 0.06 -0.16 -0.04 0.97 0.74 2z92B1 VAL 30 HG23 -0.06 0.02 -0.10 -0.04 0.95 0.77 2z92B1 SER 31 H -0.26 0.10 0.15 -0.55 8.46 7.90 2z92B1 SER 31 HA -0.06 0.13 0.62 -0.75 4.49 4.42 2z92B1 SER 31 HB2 -0.14 0.03 0.10 -0.04 3.95 3.89 2z92B1 SER 31 HB3 -0.13 0.02 0.08 -0.04 3.93 3.86 2z92B1 SER 32 H -0.44 0.16 -0.11 -0.55 8.46 7.53 2z92B1 SER 32 HA -0.10 0.15 0.33 -0.75 4.49 4.12 2z92B1 SER 32 HB2 -0.21 0.21 -0.37 -0.04 3.95 3.54 2z92B1 SER 32 HB3 -1.07 -0.08 -0.18 -0.04 3.93 2.56 2z92B1 VAL 33 H -0.07 0.22 0.16 -0.55 8.24 8.00 2z92B1 VAL 33 HA -0.13 0.28 0.85 -0.75 4.13 4.37 2z92B1 VAL 33 HB -0.46 0.02 0.09 -0.04 2.12 1.73 2z92B1 VAL 33 HG13 -0.93 -0.02 -0.37 -0.04 0.97 -0.38 2z92B1 VAL 33 HG23 -0.23 -0.02 -0.24 -0.04 0.95 0.42 2z92B1 HIS 34 H -0.04 0.56 0.44 -0.55 8.41 8.83 2z92B1 HIS 34 HA 0.07 0.12 0.90 -0.75 4.63 4.96 2z92B1 HIS 34 HB2 0.02 0.01 0.03 -0.04 3.26 3.29 2z92B1 HIS 34 HB3 -0.28 0.08 0.07 -0.04 3.20 3.02 2z92B1 HIS 34 HD2 -0.45 0.06 -0.15 -0.04 6.97 6.39 2z92B1 HIS 34 HE1 -0.38 0.06 0.05 -0.04 7.75 7.43 2z92B1 TRP 35 H 0.23 0.74 0.38 -0.55 7.97 8.77 2z92B1 TRP 35 HA 0.22 0.39 1.15 -0.75 4.62 5.64 2z92B1 TRP 35 HB2 0.16 -0.06 0.07 -0.04 3.23 3.37 2z92B1 TRP 35 HB3 0.26 0.04 -0.09 -0.04 3.23 3.40 2z92B1 TRP 35 HD1 0.13 -0.02 -0.32 -0.04 7.22 6.97 2z92B1 TRP 35 HE1 0.15 0.03 -0.21 -0.04 10.20 10.13 2z92B1 TRP 35 HE3 0.25 0.03 -0.30 -0.04 7.59 7.53 2z92B1 TRP 35 HZ2 0.15 -0.06 -0.46 -0.04 7.44 7.03 2z92B1 TRP 35 HZ3 0.13 0.04 -0.29 -0.04 7.13 6.97 2z92B1 TRP 35 HH2 0.10 0.03 -0.47 -0.04 7.19 6.81 2z92B1 TYR 36 H 0.60 0.76 0.38 -0.55 8.29 9.47 2z92B1 TYR 36 HA 0.31 0.16 1.05 -0.75 4.56 5.32 2z92B1 TYR 36 HB2 0.34 -0.03 0.03 -0.04 3.06 3.36 2z92B1 TYR 36 HB3 0.19 -0.02 -0.11 -0.04 2.98 3.00 2z92B1 TYR 36 HD2 0.22 0.03 -0.38 -0.04 7.15 6.98 2z92B1 TYR 36 HE2 0.05 -0.01 -0.17 -0.04 6.85 6.68 2z92B1 GLN 37 H 0.11 0.77 0.36 -0.55 8.47 9.17 2z92B1 GLN 37 HA -0.58 0.22 0.91 -0.75 4.36 4.16 2z92B1 GLN 37 HB2 -1.10 -0.03 -0.03 -0.04 2.15 0.95 2z92B1 GLN 37 HB3 -1.09 0.02 0.10 -0.04 2.02 1.02 2z92B1 GLN 37 HG2 -0.70 -0.03 -0.32 -0.04 2.40 1.30 2z92B1 GLN 37 HG3 -1.21 0.04 -0.14 -0.04 2.39 1.04 2z92B1 GLN 37 HE21 -0.45 0.01 -0.04 -0.04 6.97 6.45 2z92B1 GLN 37 HE22 -0.42 0.07 -0.10 -0.04 7.69 7.19 2z92B1 GLN 38 H -0.32 0.61 0.26 -0.55 8.47 8.47 2z92B1 GLN 38 HA -0.10 0.20 0.81 -0.75 4.36 4.52 2z92B1 GLN 38 HB2 0.10 -0.08 -0.16 -0.04 2.15 1.97 2z92B1 GLN 38 HB3 0.17 -0.01 0.06 -0.04 2.02 2.20 2z92B1 GLN 38 HG2 0.01 -0.06 -0.38 -0.04 2.40 1.93 2z92B1 GLN 38 HG3 -0.01 0.19 -0.22 -0.04 2.39 2.31 2z92B1 GLN 38 HE21 -0.07 -0.10 -0.02 -0.04 6.97 6.75 2z92B1 GLN 38 HE22 -0.03 0.34 0.09 -0.04 7.69 8.05 2z92B1 LYS 39 H -0.11 0.21 0.05 -0.55 8.42 8.02 2z92B1 LYS 39 HA -0.09 0.10 0.85 -0.75 4.32 4.42 2z92B1 LYS 39 HB2 -0.07 -0.02 0.03 -0.04 1.87 1.77 2z92B1 LYS 39 HB3 -0.06 0.02 0.08 -0.04 1.79 1.78 2z92B1 LYS 39 HG2 -0.15 0.20 0.02 -0.04 1.46 1.49 2z92B1 LYS 39 HG3 -0.21 -0.08 -0.11 -0.04 1.46 1.02 2z92B1 LYS 39 HD2 -0.07 -0.07 -0.02 -0.04 1.69 1.49 2z92B1 LYS 39 HD3 -0.06 -0.02 0.01 -0.04 1.68 1.57 2z92B1 LYS 39 HE2 -0.08 0.24 -0.14 -0.04 2.99 2.96 2z92B1 LYS 39 HE3 -0.17 -0.07 -0.07 -0.04 2.99 2.64 2z92B1 SER 40 H -0.03 0.14 0.13 -0.55 8.46 8.15 2z92B1 SER 40 HA -0.00 0.01 0.38 -0.75 4.49 4.12 2z92B1 SER 40 HB2 0.00 0.01 0.14 -0.04 3.95 4.05 2z92B1 SER 40 HB3 -0.01 0.03 0.10 -0.04 3.93 4.01 2z92B1 GLY 41 H -0.00 0.12 0.18 -0.55 8.43 8.17 2z92B1 GLY 41 HA2 -0.01 -0.03 0.36 -0.51 4.01 3.82 2z92B1 GLY 41 HA3 -0.01 0.08 0.52 -0.51 4.01 4.09 2z92B1 THR 42 H -0.02 0.48 -0.19 -0.55 8.28 8.01 2z92B1 THR 42 HA -0.01 0.17 1.03 -0.75 4.39 4.82 2z92B1 THR 42 HB -0.01 -0.07 0.13 -0.04 4.32 4.32 2z92B1 THR 42 HG23 -0.01 0.02 -0.20 -0.04 1.22 0.98 2z92B1 SER 43 H -0.01 0.07 0.15 -0.55 8.46 8.12 2z92B1 SER 43 HA -0.04 0.10 0.53 -0.75 4.49 4.33 2z92B1 SER 43 HB2 -0.03 0.04 0.13 -0.04 3.95 4.05 2z92B1 SER 43 HB3 -0.02 -0.06 0.11 -0.04 3.93 3.91 2z92B1 PRO 44 HA 0.03 0.15 0.43 -0.51 4.44 4.54 2z92B1 PRO 44 HB2 -0.09 -0.03 -0.05 -0.04 2.28 2.07 2z92B1 PRO 44 HB3 -0.06 0.00 -0.02 -0.04 2.02 1.90 2z92B1 PRO 44 HG2 -0.24 0.02 0.03 -0.04 2.03 1.79 2z92B1 PRO 44 HG3 -0.14 0.07 0.02 -0.04 2.03 1.94 2z92B1 PRO 44 HD2 -0.08 0.07 0.19 -0.04 3.68 3.81 2z92B1 PRO 44 HD3 -0.08 0.13 0.23 -0.04 3.65 3.89 2z92B1 LYS 45 H 0.18 0.35 0.21 -0.55 8.42 8.61 2z92B1 LYS 45 HA 0.22 0.07 0.77 -0.75 4.32 4.62 2z92B1 LYS 45 HB2 0.12 0.09 -0.18 -0.04 1.87 1.86 2z92B1 LYS 45 HB3 0.13 0.04 0.11 -0.04 1.79 2.03 2z92B1 LYS 45 HG2 0.43 -0.02 -0.05 -0.04 1.46 1.78 2z92B1 LYS 45 HG3 0.46 0.12 -0.20 -0.04 1.46 1.80 2z92B1 LYS 45 HD2 0.15 -0.10 0.13 -0.04 1.69 1.83 2z92B1 LYS 45 HD3 0.13 0.02 0.04 -0.04 1.68 1.82 2z92B1 LYS 45 HE2 0.14 -0.01 -0.01 -0.04 2.99 3.07 2z92B1 LYS 45 HE3 0.10 0.07 0.00 -0.04 2.99 3.12 2z92B1 ARG 46 H 0.23 0.13 0.10 -0.55 8.46 8.38 2z92B1 ARG 46 HA -0.23 0.08 0.57 -0.75 4.34 4.00 2z92B1 ARG 46 HB2 -0.04 -0.02 0.08 -0.04 1.90 1.88 2z92B1 ARG 46 HB3 -0.02 0.01 0.12 -0.04 1.80 1.87 2z92B1 ARG 46 HG2 -0.06 0.01 -0.35 -0.04 1.67 1.23 2z92B1 ARG 46 HG3 -0.44 0.03 -0.04 -0.04 1.67 1.18 2z92B1 ARG 46 HD2 -0.20 0.01 -0.05 -0.04 3.22 2.93 2z92B1 ARG 46 HD3 -0.18 -0.04 -0.14 -0.04 3.22 2.83 2z92B1 TRP 47 H 0.25 0.68 0.53 -0.55 7.97 8.88 2z92B1 TRP 47 HA -0.06 0.19 0.88 -0.75 4.62 4.87 2z92B1 TRP 47 HB2 0.05 -0.06 -0.04 -0.04 3.23 3.14 2z92B1 TRP 47 HB3 0.00 -0.01 -0.16 -0.04 3.23 3.02 2z92B1 TRP 47 HD1 -1.13 -0.02 -0.10 -0.04 7.22 5.93 2z92B1 TRP 47 HE1 -1.53 -0.03 -0.03 -0.04 10.20 8.57 2z92B1 TRP 47 HE3 -0.04 0.03 -0.49 -0.04 7.59 7.05 2z92B1 TRP 47 HZ2 -0.09 -0.01 0.00 -0.04 7.44 7.30 2z92B1 TRP 47 HZ3 -0.03 -0.03 -0.09 -0.04 7.13 6.93 2z92B1 TRP 47 HH2 -0.04 -0.02 -0.04 -0.04 7.19 7.06 2z92B1 ILE 48 H 0.21 0.32 0.25 -0.55 8.25 8.48 2z92B1 ILE 48 HA 0.07 0.35 0.68 -0.75 4.18 4.53 2z92B1 ILE 48 HB 0.42 -0.16 -0.06 -0.04 1.89 2.05 2z92B1 ILE 48 HG12 0.04 0.15 -0.20 -0.04 1.49 1.43 2z92B1 ILE 48 HG13 0.16 -0.10 -0.73 -0.04 1.21 0.50 2z92B1 ILE 48 HG23 0.14 0.02 -0.46 -0.04 0.93 0.58 2z92B1 ILE 48 HD13 -0.12 -0.02 -0.30 -0.04 0.88 0.39 2z92B1 TYR 49 H -0.05 0.77 0.19 -0.55 8.29 8.66 2z92B1 TYR 49 HA 0.35 0.11 1.13 -0.75 4.56 5.39 2z92B1 TYR 49 HB2 -0.12 -0.04 0.04 -0.04 3.06 2.90 2z92B1 TYR 49 HB3 -0.17 0.01 -0.10 -0.04 2.98 2.67 2z92B1 TYR 49 HD2 -0.00 0.01 -0.21 -0.04 7.15 6.90 2z92B1 TYR 49 HE2 -0.01 0.04 -0.36 -0.04 6.85 6.47 2z92B1 ASP 50 H 0.46 0.16 0.16 -0.55 8.40 8.63 2z92B1 ASP 50 HA 0.54 0.00 0.35 -0.75 4.63 4.77 2z92B1 ASP 50 HB2 0.42 -0.00 -0.01 -0.04 2.71 3.07 2z92B1 ASP 50 HB3 0.17 0.10 -0.17 -0.04 2.70 2.77 2z92B1 THR 51 H 0.24 0.61 0.01 -0.55 8.28 8.59 2z92B1 THR 51 HA 0.32 0.04 0.09 -0.75 4.39 4.09 2z92B1 THR 51 HB 0.31 -0.04 -0.06 -0.04 4.32 4.48 2z92B1 THR 51 HG23 0.18 -0.04 -0.15 -0.04 1.22 1.17 2z92B1 SER 52 H 0.04 0.52 0.18 -0.55 8.46 8.65 2z92B1 SER 52 HA 0.05 0.31 1.07 -0.75 4.49 5.18 2z92B1 SER 52 HB2 -0.00 -0.05 0.05 -0.04 3.95 3.90 2z92B1 SER 52 HB3 0.03 0.12 0.23 -0.04 3.93 4.27 2z92B1 LYS 53 H -0.17 0.26 -0.02 -0.55 8.42 7.94 2z92B1 LYS 53 HA -0.21 0.10 0.76 -0.75 4.32 4.22 2z92B1 LYS 53 HB2 -0.84 0.43 0.19 -0.04 1.87 1.61 2z92B1 LYS 53 HB3 -1.87 -0.06 -0.13 -0.04 1.79 -0.31 2z92B1 LYS 53 HG2 -0.22 -0.01 -0.00 -0.04 1.46 1.19 2z92B1 LYS 53 HG3 -0.18 -0.02 -0.03 -0.04 1.46 1.19 2z92B1 LYS 53 HD2 -0.08 0.07 0.08 -0.04 1.69 1.73 2z92B1 LYS 53 HD3 -0.15 -0.05 -0.03 -0.04 1.68 1.41 2z92B1 LYS 53 HE2 0.08 -0.01 -0.01 -0.04 2.99 3.01 2z92B1 LYS 53 HE3 0.01 0.00 0.01 -0.04 2.99 2.97 2z92B1 LEU 54 H -0.11 0.13 0.18 -0.55 8.37 8.02 2z92B1 LEU 54 HA -0.07 0.27 0.89 -0.75 4.35 4.69 2z92B1 LEU 54 HB2 -0.05 -0.11 0.15 -0.04 1.64 1.59 2z92B1 LEU 54 HB3 -0.11 0.16 0.01 -0.04 1.64 1.67 2z92B1 LEU 54 HG -0.04 -0.06 0.02 -0.04 1.64 1.52 2z92B1 LEU 54 HD13 -0.01 0.08 0.02 -0.04 0.93 0.97 2z92B1 LEU 54 HD23 -0.04 0.02 -0.21 -0.04 0.89 0.62 2z92B1 PRO 55 HA 0.10 0.00 0.48 -0.51 4.44 4.52 2z92B1 PRO 55 HB2 -0.11 0.09 -0.00 -0.04 2.28 2.23 2z92B1 PRO 55 HB3 -0.05 -0.06 0.02 -0.04 2.02 1.89 2z92B1 PRO 55 HG2 -0.29 0.05 -0.02 -0.04 2.03 1.73 2z92B1 PRO 55 HG3 -0.06 0.09 -0.23 -0.04 2.03 1.78 2z92B1 PRO 55 HD2 -0.09 0.43 0.09 -0.04 3.68 4.06 2z92B1 PRO 55 HD3 0.26 -0.02 -0.07 -0.04 3.65 3.79 2z92B1 SER 56 H -0.05 0.05 0.15 -0.55 8.46 8.06 2z92B1 SER 56 HA -0.06 0.07 0.45 -0.75 4.49 4.20 2z92B1 SER 56 HB2 -0.05 -0.01 0.12 -0.04 3.95 3.97 2z92B1 SER 56 HB3 -0.04 0.00 0.04 -0.04 3.93 3.89 2z92B1 GLY 57 H -0.08 0.13 0.13 -0.55 8.43 8.07 2z92B1 GLY 57 HA2 -0.07 -0.05 0.32 -0.51 4.01 3.70 2z92B1 GLY 57 HA3 -0.11 0.15 0.63 -0.51 4.01 4.17 2z92B1 VAL 58 H -0.27 0.40 -0.37 -0.55 8.24 7.45 2z92B1 VAL 58 HA -0.69 0.10 0.63 -0.75 4.13 3.42 2z92B1 VAL 58 HB -0.42 0.06 0.09 -0.04 2.12 1.80 2z92B1 VAL 58 HG13 -1.06 0.08 -0.03 -0.04 0.97 -0.08 2z92B1 VAL 58 HG23 -1.12 0.00 -0.04 -0.04 0.95 -0.25 2z92B1 PRO 59 HA 0.04 -0.00 0.43 -0.51 4.44 4.40 2z92B1 PRO 59 HB2 0.44 -0.03 0.06 -0.04 2.28 2.71 2z92B1 PRO 59 HB3 0.16 -0.02 0.10 -0.04 2.02 2.22 2z92B1 PRO 59 HG2 0.32 0.03 0.07 -0.04 2.03 2.41 2z92B1 PRO 59 HG3 0.12 0.06 0.09 -0.04 2.03 2.25 2z92B1 PRO 59 HD2 0.01 0.09 0.21 -0.04 3.68 3.94 2z92B1 PRO 59 HD3 -0.09 0.32 0.35 -0.04 3.65 4.18 2z92B1 GLY 60 H 0.04 0.11 0.19 -0.55 8.43 8.21 2z92B1 GLY 60 HA2 0.03 0.25 0.50 -0.51 4.01 4.28 2z92B1 GLY 60 HA3 0.02 -0.01 0.38 -0.51 4.01 3.89 2z92B1 ARG 61 H 0.08 0.03 -0.38 -0.55 8.46 7.63 2z92B1 ARG 61 HA -0.06 0.08 0.53 -0.75 4.34 4.14 2z92B1 ARG 61 HB2 -0.16 -0.20 0.12 -0.04 1.90 1.61 2z92B1 ARG 61 HB3 -0.05 0.01 0.07 -0.04 1.80 1.80 2z92B1 ARG 61 HG2 0.07 -0.09 -0.03 -0.04 1.67 1.59 2z92B1 ARG 61 HG3 -0.25 0.09 -0.19 -0.04 1.67 1.28 2z92B1 ARG 61 HD2 -0.15 0.11 -0.05 -0.04 3.22 3.08 2z92B1 ARG 61 HD3 -0.02 0.01 0.00 -0.04 3.22 3.17 2z92B1 PHE 62 H 0.19 0.27 -0.44 -0.55 8.34 7.81 2z92B1 PHE 62 HA -0.03 0.25 0.84 -0.75 4.62 4.92 2z92B1 PHE 62 HB2 -0.02 0.26 0.08 -0.04 3.15 3.43 2z92B1 PHE 62 HB3 0.01 -0.01 -0.09 -0.04 3.06 2.93 2z92B1 PHE 62 HD2 0.10 0.02 -0.07 -0.04 7.28 7.28 2z92B1 PHE 62 HE2 0.14 -0.03 -0.10 -0.04 7.38 7.35 2z92B1 PHE 62 HZ 0.27 0.02 -0.06 -0.04 7.32 7.51 2z92B1 SER 63 H -0.00 0.49 0.36 -0.55 8.46 8.76 2z92B1 SER 63 HA 0.01 0.14 0.59 -0.75 4.49 4.47 2z92B1 SER 63 HB2 -0.02 -0.00 0.08 -0.04 3.95 3.97 2z92B1 SER 63 HB3 -0.02 0.11 -0.19 -0.04 3.93 3.80 2z92B1 GLY 64 H -0.00 0.33 0.26 -0.55 8.43 8.48 2z92B1 GLY 64 HA2 -0.07 0.18 1.04 -0.51 4.01 4.65 2z92B1 GLY 64 HA3 0.02 0.10 0.42 -0.51 4.01 4.04 2z92B1 SER 65 H 0.12 0.47 0.36 -0.55 8.46 8.86 2z92B1 SER 65 HA 0.09 0.10 0.58 -0.75 4.49 4.51 2z92B1 SER 65 HB2 0.02 -0.04 0.10 -0.04 3.95 3.99 2z92B1 SER 65 HB3 0.02 0.07 -0.20 -0.04 3.93 3.78 2z92B1 GLY 66 H 0.04 0.22 0.19 -0.55 8.43 8.34 2z92B1 GLY 66 HA2 -0.13 0.06 0.40 -0.51 4.01 3.84 2z92B1 GLY 66 HA3 -0.15 0.11 0.82 -0.51 4.01 4.27 2z92B1 SER 67 H -0.58 0.52 0.26 -0.55 8.46 8.11 2z92B1 SER 67 HA -0.13 0.16 0.43 -0.75 4.49 4.19 2z92B1 SER 67 HB2 -0.06 -0.06 0.15 -0.04 3.95 3.94 2z92B1 SER 67 HB3 -0.07 0.14 -0.09 -0.04 3.93 3.87 2z92B1 GLY 68 H -0.03 0.18 0.13 -0.55 8.43 8.16 2z92B1 GLY 68 HA2 -0.01 0.03 0.42 -0.51 4.01 3.95 2z92B1 GLY 68 HA3 -0.05 -0.01 0.37 -0.51 4.01 3.81 2z92B1 THR 69 H -0.07 0.12 0.36 -0.55 8.28 8.14 2z92B1 THR 69 HA 0.16 0.22 1.01 -0.75 4.39 5.02 2z92B1 THR 69 HB 0.04 0.17 0.18 -0.04 4.32 4.68 2z92B1 THR 69 HG23 0.01 -0.00 -0.38 -0.04 1.22 0.81 2z92B1 SER 70 H -0.26 0.54 0.27 -0.55 8.46 8.46 2z92B1 SER 70 HA 0.05 0.27 1.23 -0.75 4.49 5.28 2z92B1 SER 70 HB2 -0.09 -0.03 0.19 -0.04 3.95 3.97 2z92B1 SER 70 HB3 -0.01 0.04 0.06 -0.04 3.93 3.97 2z92B1 TYR 71 H 0.28 0.90 0.39 -0.55 8.29 9.31 2z92B1 TYR 71 HA 0.15 0.22 1.11 -0.75 4.56 5.28 2z92B1 TYR 71 HB2 0.13 -0.01 0.01 -0.04 3.06 3.14 2z92B1 TYR 71 HB3 0.32 0.04 0.02 -0.04 2.98 3.31 2z92B1 TYR 71 HD2 0.07 0.11 -0.31 -0.04 7.15 6.98 2z92B1 TYR 71 HE2 -0.01 0.09 -0.47 -0.04 6.85 6.42 2z92B1 SER 72 H 0.41 0.50 0.38 -0.55 8.46 9.21 2z92B1 SER 72 HA 0.42 0.10 0.77 -0.75 4.49 5.03 2z92B1 SER 72 HB2 0.04 0.13 0.13 -0.04 3.95 4.20 2z92B1 SER 72 HB3 0.12 -0.02 -0.15 -0.04 3.93 3.84 2z92B1 LEU 73 H -0.30 0.58 0.35 -0.55 8.37 8.45 2z92B1 LEU 73 HA -0.53 0.25 1.04 -0.75 4.35 4.35 2z92B1 LEU 73 HB2 -2.83 -0.04 -0.10 -0.04 1.64 -1.37 2z92B1 LEU 73 HB3 -1.23 -0.04 0.04 -0.04 1.64 0.37 2z92B1 LEU 73 HG -0.38 0.09 -0.04 -0.04 1.64 1.26 2z92B1 LEU 73 HD13 -0.33 -0.02 -0.17 -0.04 0.93 0.37 2z92B1 LEU 73 HD23 -0.36 0.00 -0.47 -0.04 0.89 0.03 2z92B1 THR 74 H -0.20 0.78 0.39 -0.55 8.28 8.70 2z92B1 THR 74 HA -0.19 0.37 1.23 -0.75 4.39 5.04 2z92B1 THR 74 HB -0.10 -0.02 -0.00 -0.04 4.32 4.16 2z92B1 THR 74 HG23 -0.10 -0.00 -0.26 -0.04 1.22 0.81 2z92B1 ILE 75 H -0.21 0.68 0.30 -0.55 8.25 8.48 2z92B1 ILE 75 HA -0.45 0.39 0.91 -0.75 4.18 4.29 2z92B1 ILE 75 HB -0.26 -0.09 0.09 -0.04 1.89 1.59 2z92B1 ILE 75 HG12 -1.06 0.06 -0.22 -0.04 1.49 0.23 2z92B1 ILE 75 HG13 -0.37 -0.02 -0.31 -0.04 1.21 0.47 2z92B1 ILE 75 HG23 -0.46 -0.05 -0.31 -0.04 0.93 0.08 2z92B1 ILE 75 HD13 -0.24 -0.01 -0.14 -0.04 0.88 0.45 2z92B1 SER 76 H -0.18 0.71 0.21 -0.55 8.46 8.66 2z92B1 SER 76 HA -0.09 0.01 0.40 -0.75 4.49 4.06 2z92B1 SER 76 HB2 -0.06 -0.03 0.03 -0.04 3.95 3.85 2z92B1 SER 76 HB3 -0.08 0.06 0.11 -0.04 3.93 3.98 2z92B1 SER 77 H -0.13 0.11 -0.18 -0.55 8.46 7.71 2z92B1 SER 77 HA -0.06 0.30 0.47 -0.75 4.49 4.44 2z92B1 SER 77 HB2 -0.04 0.05 -0.17 -0.04 3.95 3.74 2z92B1 SER 77 HB3 -0.05 -0.10 0.04 -0.04 3.93 3.78 2z92B1 MET 78 H -0.06 0.80 -0.05 -0.55 8.47 8.61 2z92B1 MET 78 HA -0.08 0.02 0.35 -0.75 4.52 4.06 2z92B1 MET 78 HB2 -0.06 0.07 -0.05 -0.04 2.15 2.07 2z92B1 MET 78 HB3 -0.03 -0.04 0.09 -0.04 2.03 2.01 2z92B1 MET 78 HG2 -0.01 0.05 -0.56 -0.04 2.63 2.08 2z92B1 MET 78 HG3 -0.00 -0.01 -0.53 -0.04 2.56 1.98 2z92B1 MET 78 HE3 -0.01 -0.04 -0.09 -0.04 2.10 1.92 2z92B1 GLU 79 H 0.01 0.25 0.18 -0.55 8.60 8.49 2z92B1 GLU 79 HA 0.01 0.16 0.82 -0.75 4.29 4.53 2z92B1 GLU 79 HB2 0.05 0.07 0.02 -0.04 2.09 2.19 2z92B1 GLU 79 HB3 0.06 -0.13 0.00 -0.04 1.99 1.88 2z92B1 GLU 79 HG2 0.04 -0.01 0.03 -0.04 2.34 2.35 2z92B1 GLU 79 HG3 0.02 0.01 0.12 -0.04 2.34 2.45 2z92B1 ALA 80 H 0.02 0.20 0.14 -0.55 8.40 8.22 2z92B1 ALA 80 HA 0.01 0.10 0.38 -0.75 4.34 4.08 2z92B1 ALA 80 HB3 -0.00 0.04 0.10 -0.04 1.41 1.51 2z92B1 GLU 81 H 0.05 0.01 -0.29 -0.55 8.60 7.82 2z92B1 GLU 81 HA 0.04 0.18 0.46 -0.75 4.29 4.22 2z92B1 GLU 81 HB2 0.07 0.05 0.14 -0.04 2.09 2.31 2z92B1 GLU 81 HB3 0.05 -0.04 0.07 -0.04 1.99 2.04 2z92B1 GLU 81 HG2 0.11 -0.11 -0.09 -0.04 2.34 2.20 2z92B1 GLU 81 HG3 0.17 0.07 -0.24 -0.04 2.34 2.30 2z92B1 ASP 82 H 0.09 0.50 -0.55 -0.55 8.40 7.89 2z92B1 ASP 82 HA 0.22 0.20 0.79 -0.75 4.63 5.09 2z92B1 ASP 82 HB2 0.11 0.04 0.03 -0.04 2.71 2.84 2z92B1 ASP 82 HB3 0.31 -0.01 0.01 -0.04 2.70 2.97 2z92B1 ALA 83 H 0.06 0.27 -0.11 -0.55 8.40 8.07 2z92B1 ALA 83 HA 0.09 0.10 0.33 -0.75 4.34 4.11 2z92B1 ALA 83 HB3 0.03 -0.03 0.13 -0.04 1.41 1.50 2z92B1 ALA 84 H 0.08 0.50 0.46 -0.55 8.40 8.89 2z92B1 ALA 84 HA -0.09 -0.07 0.41 -0.75 4.34 3.84 2z92B1 ALA 84 HB3 -0.35 0.07 -0.19 -0.04 1.41 0.89 2z92B1 THR 85 H -0.21 0.71 0.35 -0.55 8.28 8.58 2z92B1 THR 85 HA -0.07 0.27 1.16 -0.75 4.39 4.99 2z92B1 THR 85 HB -0.12 0.04 0.16 -0.04 4.32 4.36 2z92B1 THR 85 HG23 -0.61 -0.01 -0.27 -0.04 1.22 0.29 2z92B1 TYR 86 H 0.10 0.62 0.36 -0.55 8.29 8.82 2z92B1 TYR 86 HA 0.08 0.45 1.16 -0.75 4.56 5.50 2z92B1 TYR 86 HB2 0.16 -0.03 0.12 -0.04 3.06 3.27 2z92B1 TYR 86 HB3 0.37 -0.03 -0.05 -0.04 2.98 3.23 2z92B1 TYR 86 HD2 0.05 0.02 -0.11 -0.04 7.15 7.07 2z92B1 TYR 86 HE2 -0.19 0.05 -0.09 -0.04 6.85 6.58 2z92B1 TYR 87 H 0.48 0.65 0.38 -0.55 8.29 9.25 2z92B1 TYR 87 HA 0.22 0.09 1.00 -0.75 4.56 5.11 2z92B1 TYR 87 HB2 0.32 -0.07 0.05 -0.04 3.06 3.32 2z92B1 TYR 87 HB3 0.28 0.06 0.01 -0.04 2.98 3.29 2z92B1 TYR 87 HD2 0.09 0.10 -0.19 -0.04 7.15 7.12 2z92B1 TYR 87 HE2 -0.01 0.08 -0.18 -0.04 6.85 6.71 2z92B1 CYS 88 H 0.06 0.08 0.22 -0.55 8.50 8.31 2z92B1 CYS 88 HA -0.50 0.46 1.13 -0.75 4.58 4.91 2z92B1 CYS 88 HB2 -0.84 0.01 0.01 -0.04 2.97 2.12 2z92B1 CYS 88 HB3 -1.96 0.02 -0.07 -0.04 2.97 0.92 2z92B1 GLN 89 H -0.20 0.40 0.39 -0.55 8.47 8.52 2z92B1 GLN 89 HA -0.20 0.33 0.91 -0.75 4.36 4.65 2z92B1 GLN 89 HB2 -0.49 -0.00 -0.21 -0.04 2.15 1.41 2z92B1 GLN 89 HB3 0.12 -0.14 -0.06 -0.04 2.02 1.90 2z92B1 GLN 89 HG2 -0.17 0.06 -0.32 -0.04 2.40 1.93 2z92B1 GLN 89 HG3 -1.07 0.24 -0.20 -0.04 2.39 1.31 2z92B1 GLN 89 HE21 -0.08 -0.10 -0.06 -0.04 6.97 6.69 2z92B1 GLN 89 HE22 -0.47 0.33 0.01 -0.04 7.69 7.52 2z92B1 GLN 90 H -0.13 0.71 0.19 -0.55 8.47 8.70 2z92B1 GLN 90 HA -0.07 0.15 0.95 -0.75 4.36 4.64 2z92B1 GLN 90 HB2 -0.23 -0.15 0.16 -0.04 2.15 1.89 2z92B1 GLN 90 HB3 -0.21 0.03 -0.01 -0.04 2.02 1.79 2z92B1 GLN 90 HG2 -0.10 -0.01 -0.07 -0.04 2.40 2.19 2z92B1 GLN 90 HG3 -0.10 0.23 0.09 -0.04 2.39 2.57 2z92B1 GLN 90 HE21 -0.04 0.24 0.05 -0.04 6.97 7.19 2z92B1 GLN 90 HE22 -0.04 0.04 0.13 -0.04 7.69 7.77 2z92B1 TRP 91 H -0.37 0.12 0.07 -0.55 7.97 7.24 2z92B1 TRP 91 HA -0.08 0.29 0.78 -0.75 4.62 4.86 2z92B1 TRP 91 HB2 -0.01 0.04 0.10 -0.04 3.23 3.31 2z92B1 TRP 91 HB3 -0.03 0.04 -0.21 -0.04 3.23 2.99 2z92B1 TRP 91 HD1 0.01 0.03 -0.03 -0.04 7.22 7.19 2z92B1 TRP 91 HE1 0.03 0.02 -0.07 -0.04 10.20 10.13 2z92B1 TRP 91 HE3 -0.33 -0.00 -0.28 -0.04 7.59 6.94 2z92B1 TRP 91 HZ2 -0.01 0.04 -0.07 -0.04 7.44 7.36 2z92B1 TRP 91 HZ3 -0.78 -0.08 -0.51 -0.04 7.13 5.72 2z92B1 TRP 91 HH2 -0.27 -0.08 -0.01 -0.04 7.19 6.78 2z92B1 SER 92 H -0.33 0.06 0.05 -0.55 8.46 7.68 2z92B1 SER 92 HA -0.37 0.10 0.48 -0.75 4.49 3.94 2z92B1 SER 92 HB2 -0.20 0.12 0.09 -0.04 3.95 3.93 2z92B1 SER 92 HB3 -0.21 0.07 0.10 -0.04 3.93 3.85 2z92B1 SER 93 H -0.09 0.10 -0.17 -0.55 8.46 7.75 2z92B1 SER 93 HA -0.03 0.18 0.83 -0.75 4.49 4.71 2z92B1 SER 93 HB2 -0.04 -0.00 -0.08 -0.04 3.95 3.79 2z92B1 SER 93 HB3 -0.02 0.11 -0.07 -0.04 3.93 3.91 2z92B1 ASN 94 H 0.00 0.16 0.08 -0.55 8.53 8.22 2z92B1 ASN 94 HA 0.03 0.06 0.58 -0.75 4.76 4.68 2z92B1 ASN 94 HB2 0.03 -0.01 0.04 -0.04 2.88 2.90 2z92B1 ASN 94 HB3 0.02 -0.00 0.11 -0.04 2.79 2.87 2z92B1 ASN 94 HD21 0.03 -0.01 0.00 -0.04 7.03 7.01 2z92B1 ASN 94 HD22 0.03 -0.01 -0.00 -0.04 7.74 7.72 2z92B1 PRO 95 HA 0.03 0.03 0.42 -0.51 4.44 4.41 2z92B1 PRO 95 HB2 0.04 0.01 -0.06 -0.04 2.28 2.23 2z92B1 PRO 95 HB3 0.03 -0.02 0.08 -0.04 2.02 2.06 2z92B1 PRO 95 HG2 0.02 0.02 0.14 -0.04 2.03 2.16 2z92B1 PRO 95 HG3 0.02 0.00 0.11 -0.04 2.03 2.12 2z92B1 PRO 95 HD2 0.01 0.13 0.21 -0.04 3.68 3.98 2z92B1 PRO 95 HD3 0.01 0.02 0.29 -0.04 3.65 3.93 2z92B1 PRO 96 HA 0.01 0.21 0.61 -0.51 4.44 4.76 2z92B1 PRO 96 HB2 -0.02 -0.04 0.23 -0.04 2.28 2.41 2z92B1 PRO 96 HB3 0.11 -0.02 0.21 -0.04 2.02 2.28 2z92B1 PRO 96 HG2 0.06 -0.00 0.09 -0.04 2.03 2.14 2z92B1 PRO 96 HG3 0.08 0.04 0.07 -0.04 2.03 2.19 2z92B1 PRO 96 HD2 0.05 0.10 0.11 -0.04 3.68 3.91 2z92B1 PRO 96 HD3 0.04 0.01 0.26 -0.04 3.65 3.92 2z92B1 THR 97 H -0.02 0.53 0.26 -0.55 8.28 8.50 2z92B1 THR 97 HA 0.07 -0.05 0.36 -0.75 4.39 4.02 2z92B1 THR 97 HB 0.03 0.04 0.06 -0.04 4.32 4.42 2z92B1 THR 97 HG23 0.03 0.06 0.01 -0.04 1.22 1.27 2z92B1 PHE 98 H 0.26 0.10 0.24 -0.55 8.34 8.39 2z92B1 PHE 98 HA 0.02 0.18 0.92 -0.75 4.62 4.98 2z92B1 PHE 98 HB2 -0.06 -0.05 0.10 -0.04 3.15 3.10 2z92B1 PHE 98 HB3 -0.04 0.09 0.09 -0.04 3.06 3.16 2z92B1 PHE 98 HD2 -0.08 -0.03 -0.04 -0.04 7.28 7.09 2z92B1 PHE 98 HE2 -0.45 -0.04 -0.08 -0.04 7.38 6.77 2z92B1 PHE 98 HZ -0.28 -0.04 -0.07 -0.04 7.32 6.89 2z92B1 GLY 99 H 0.22 0.41 0.35 -0.55 8.43 8.86 2z92B1 GLY 99 HA2 0.10 0.26 0.81 -0.51 4.01 4.67 2z92B1 GLY 99 HA3 0.11 -0.10 0.38 -0.51 4.01 3.88 2z92B1 ALA 100 H 0.11 0.20 0.27 -0.55 8.40 8.44 2z92B1 ALA 100 HA 0.18 0.11 0.49 -0.75 4.34 4.36 2z92B1 ALA 100 HB3 0.09 0.00 0.18 -0.04 1.41 1.63 2z92B1 GLY 101 H 0.16 -0.14 -0.31 -0.55 8.43 7.60 2z92B1 GLY 101 HA2 -0.07 0.16 0.40 -0.51 4.01 3.98 2z92B1 GLY 101 HA3 -0.27 0.14 0.47 -0.51 4.01 3.83 2z92B1 THR 102 H -0.03 0.48 0.26 -0.55 8.28 8.45 2z92B1 THR 102 HA 0.05 0.32 0.84 -0.75 4.39 4.85 2z92B1 THR 102 HB 0.19 -0.09 0.13 -0.04 4.32 4.51 2z92B1 THR 102 HG23 0.08 0.03 -0.29 -0.04 1.22 0.99 2z92B1 LYS 103 H 0.03 0.64 0.18 -0.55 8.42 8.71 2z92B1 LYS 103 HA 0.02 0.14 0.97 -0.75 4.32 4.70 2z92B1 LYS 103 HB2 0.00 0.02 0.08 -0.04 1.87 1.93 2z92B1 LYS 103 HB3 0.03 -0.03 0.29 -0.04 1.79 2.03 2z92B1 LYS 103 HG2 0.05 -0.03 -0.22 -0.04 1.46 1.22 2z92B1 LYS 103 HG3 0.02 0.02 -0.11 -0.04 1.46 1.36 2z92B1 LYS 103 HD2 0.06 -0.06 -0.04 -0.04 1.69 1.61 2z92B1 LYS 103 HD3 0.03 0.02 -0.01 -0.04 1.68 1.68 2z92B1 LYS 103 HE2 0.02 0.05 0.04 -0.04 2.99 3.06 2z92B1 LYS 103 HE3 0.04 -0.05 -0.01 -0.04 2.99 2.93 2z92B1 LEU 104 H 0.15 0.62 0.38 -0.55 8.37 8.97 2z92B1 LEU 104 HA 0.08 0.15 0.75 -0.75 4.35 4.57 2z92B1 LEU 104 HB2 0.11 -0.04 -0.01 -0.04 1.64 1.66 2z92B1 LEU 104 HB3 0.28 0.08 0.22 -0.04 1.64 2.17 2z92B1 LEU 104 HG 0.09 -0.04 -0.36 -0.04 1.64 1.29 2z92B1 LEU 104 HD13 0.02 0.01 -0.18 -0.04 0.93 0.74 2z92B1 LEU 104 HD23 0.03 0.01 -0.19 -0.04 0.89 0.70 2z92B1 GLU 105 H 0.08 0.81 0.52 -0.55 8.60 9.46 2z92B1 GLU 105 HA 0.09 0.12 0.84 -0.75 4.29 4.58 2z92B1 GLU 105 HB2 0.13 -0.04 0.05 -0.04 2.09 2.19 2z92B1 GLU 105 HB3 0.21 -0.00 0.05 -0.04 1.99 2.21 2z92B1 GLU 105 HG2 0.14 -0.02 -0.10 -0.04 2.34 2.32 2z92B1 GLU 105 HG3 0.09 0.13 -0.18 -0.04 2.34 2.34 2z92B1 VAL 106 H 0.08 0.19 0.18 -0.55 8.24 8.15 2z92B1 VAL 106 HA 0.05 0.25 1.08 -0.75 4.13 4.77 2z92B1 VAL 106 HB 0.03 -0.02 -0.01 -0.04 2.12 2.08 2z92B1 VAL 106 HG13 -0.00 -0.00 0.09 -0.04 0.97 1.02 2z92B1 VAL 106 HG23 -0.00 0.03 -0.04 -0.04 0.95 0.90 2z92B1 LYS 107 H 0.05 0.42 0.06 -0.55 8.42 8.40 2z92B1 LYS 107 HA 0.12 0.18 0.73 -0.75 4.32 4.60 2z92B1 LYS 107 HB2 0.12 0.07 0.04 -0.04 1.87 2.06 2z92B1 LYS 107 HB3 0.18 -0.06 -0.07 -0.04 1.79 1.79 2z92B1 LYS 107 HG2 0.04 -0.03 -0.64 -0.04 1.46 0.79 2z92B1 LYS 107 HG3 0.02 0.02 -0.19 -0.04 1.46 1.27 2z92B1 LYS 107 HD2 0.03 -0.05 -0.09 -0.04 1.69 1.54 2z92B1 LYS 107 HD3 0.06 0.05 -0.09 -0.04 1.68 1.66 2z92B1 LYS 107 HE2 0.05 0.02 -0.10 -0.04 2.99 2.93 2z92B1 LYS 107 HE3 0.11 0.00 -0.13 -0.04 2.99 2.93 2z92B1 ARG 108 H -0.62 0.22 0.17 -0.55 8.46 7.67 2z92B1 ARG 108 HA -0.16 0.09 0.59 -0.75 4.34 4.10 2z92B1 ARG 108 HB2 -0.23 -0.10 0.14 -0.04 1.90 1.66 2z92B1 ARG 108 HB3 -0.23 0.06 -0.10 -0.04 1.80 1.48 2z92B1 ARG 108 HG2 -0.75 0.05 -0.07 -0.04 1.67 0.86 2z92B1 ARG 108 HG3 -1.35 -0.01 -0.20 -0.04 1.67 0.07 2z92B1 ARG 108 HD2 -0.19 0.09 -0.07 -0.04 3.22 3.00 2z92B1 ARG 108 HD3 -0.20 0.02 -0.23 -0.04 3.22 2.77 2z92B1 ALA 109 H -0.13 0.11 0.12 -0.55 8.40 7.95 2z92B1 ALA 109 HA -0.01 0.00 0.48 -0.75 4.34 4.05 2z92B1 ALA 109 HB3 -0.01 0.01 0.11 -0.04 1.41 1.47 2z92B1 ASP 110 H 0.09 0.01 0.16 -0.55 8.40 8.11 2z92B1 ASP 110 HA 0.37 0.11 0.30 -0.75 4.63 4.67 2z92B1 ASP 110 HB2 0.12 -0.07 0.10 -0.04 2.71 2.82 2z92B1 ASP 110 HB3 0.20 0.03 0.09 -0.04 2.70 2.98 2z92B1 ALA 111 H 0.31 0.63 0.31 -0.55 8.40 9.11 2z92B1 ALA 111 HA 0.10 0.02 0.66 -0.75 4.34 4.37 2z92B1 ALA 111 HB3 0.11 0.03 -0.04 -0.04 1.41 1.47 2z92B1 ALA 112 H 0.08 0.09 0.14 -0.55 8.40 8.16 2z92B1 ALA 112 HA -0.04 0.02 0.56 -0.75 4.34 4.12 2z92B1 ALA 112 HB3 0.04 0.01 0.07 -0.04 1.41 1.50 2z92B1 PRO 113 HA 0.12 0.35 0.44 -0.51 4.44 4.84 2z92B1 PRO 113 HB2 -0.02 -0.04 -0.19 -0.04 2.28 1.99 2z92B1 PRO 113 HB3 -0.13 0.02 -0.12 -0.04 2.02 1.75 2z92B1 PRO 113 HG2 -0.08 0.00 -0.01 -0.04 2.03 1.90 2z92B1 PRO 113 HG3 -0.25 0.02 -0.07 -0.04 2.03 1.69 2z92B1 PRO 113 HD2 -0.09 0.06 0.16 -0.04 3.68 3.77 2z92B1 PRO 113 HD3 -0.50 0.10 0.15 -0.04 3.65 3.36 2z92B1 THR 114 H 0.10 0.50 0.21 -0.55 8.28 8.55 2z92B1 THR 114 HA 0.04 0.10 0.69 -0.75 4.39 4.47 2z92B1 THR 114 HB 0.07 -0.09 0.16 -0.04 4.32 4.43 2z92B1 THR 114 HG23 0.05 -0.00 -0.09 -0.04 1.22 1.14 2z92B1 VAL 115 H 0.03 0.19 0.11 -0.55 8.24 8.02 2z92B1 VAL 115 HA 0.08 0.44 1.13 -0.75 4.13 5.03 2z92B1 VAL 115 HB -0.02 -0.02 0.01 -0.04 2.12 2.05 2z92B1 VAL 115 HG13 -0.05 0.00 -0.24 -0.04 0.97 0.64 2z92B1 VAL 115 HG23 -0.03 0.02 -0.20 -0.04 0.95 0.70 2z92B1 SER 116 H 0.15 0.54 0.35 -0.55 8.46 8.95 2z92B1 SER 116 HA -0.05 0.16 0.97 -0.75 4.49 4.81 2z92B1 SER 116 HB2 0.54 -0.08 0.08 -0.04 3.95 4.45 2z92B1 SER 116 HB3 -0.03 0.06 -0.00 -0.04 3.93 3.92 2z92B1 ILE 117 H -0.24 0.18 0.19 -0.55 8.25 7.83 2z92B1 ILE 117 HA 0.05 0.33 1.15 -0.75 4.18 4.96 2z92B1 ILE 117 HB 0.02 -0.04 -0.12 -0.04 1.89 1.70 2z92B1 ILE 117 HG12 0.47 -0.00 -0.20 -0.04 1.49 1.72 2z92B1 ILE 117 HG13 0.36 0.08 -0.07 -0.04 1.21 1.54 2z92B1 ILE 117 HG23 0.10 -0.02 -0.17 -0.04 0.93 0.81 2z92B1 ILE 117 HD13 0.30 -0.03 -0.23 -0.04 0.88 0.89 2z92B1 PHE 118 H 0.27 0.53 0.29 -0.55 8.34 8.87 2z92B1 PHE 118 HA -0.07 0.18 0.90 -0.75 4.62 4.87 2z92B1 PHE 118 HB2 -0.06 -0.11 0.10 -0.04 3.15 3.04 2z92B1 PHE 118 HB3 -0.05 0.06 0.02 -0.04 3.06 3.05 2z92B1 PHE 118 HD2 -0.06 0.07 -0.17 -0.04 7.28 7.09 2z92B1 PHE 118 HE2 0.22 -0.02 -0.14 -0.04 7.38 7.40 2z92B1 PHE 118 HZ 0.20 -0.03 -0.09 -0.04 7.32 7.36 2z92B1 PRO 119 HA -0.22 0.06 0.48 -0.51 4.44 4.25 2z92B1 PRO 119 HB2 -0.32 0.08 0.00 -0.04 2.28 2.00 2z92B1 PRO 119 HB3 -0.63 0.02 0.09 -0.04 2.02 1.45 2z92B1 PRO 119 HG2 -0.64 0.03 0.04 -0.04 2.03 1.42 2z92B1 PRO 119 HG3 -2.47 0.01 -0.02 -0.04 2.03 -0.49 2z92B1 PRO 119 HD2 -0.20 0.08 0.17 -0.04 3.68 3.69 2z92B1 PRO 119 HD3 -0.36 0.17 0.15 -0.04 3.65 3.56 2z92B1 PRO 120 HA -0.16 0.11 0.60 -0.51 4.44 4.48 2z92B1 PRO 120 HB2 -0.37 0.04 0.04 -0.04 2.28 1.95 2z92B1 PRO 120 HB3 -0.31 -0.20 0.20 -0.04 2.02 1.67 2z92B1 PRO 120 HG2 -1.39 0.01 -0.05 -0.04 2.03 0.57 2z92B1 PRO 120 HG3 -0.46 0.13 -0.27 -0.04 2.03 1.39 2z92B1 PRO 120 HD2 -0.31 0.07 0.15 -0.04 3.68 3.55 2z92B1 PRO 120 HD3 -0.14 0.07 0.16 -0.04 3.65 3.71 2z92B1 SER 121 H -0.10 0.03 0.19 -0.55 8.46 8.04 2z92B1 SER 121 HA -0.06 0.22 0.58 -0.75 4.49 4.48 2z92B1 SER 121 HB2 -0.04 -0.05 0.17 -0.04 3.95 3.99 2z92B1 SER 121 HB3 -0.05 0.14 0.13 -0.04 3.93 4.11 2z92B1 SER 122 H -0.04 0.18 0.18 -0.55 8.46 8.23 2z92B1 SER 122 HA -0.03 0.17 0.47 -0.75 4.49 4.34 2z92B1 SER 122 HB2 -0.02 -0.04 0.14 -0.04 3.95 3.99 2z92B1 SER 122 HB3 -0.01 0.05 0.02 -0.04 3.93 3.95 2z92B1 GLU 123 H -0.03 0.08 -0.01 -0.55 8.60 8.09 2z92B1 GLU 123 HA -0.02 0.12 0.36 -0.75 4.29 3.99 2z92B1 GLU 123 HB2 -0.03 -0.05 0.05 -0.04 2.09 2.02 2z92B1 GLU 123 HB3 -0.03 0.07 -0.02 -0.04 1.99 1.98 2z92B1 GLU 123 HG2 -0.02 0.06 0.02 -0.04 2.34 2.36 2z92B1 GLU 123 HG3 -0.02 0.01 0.04 -0.04 2.34 2.33 2z92B1 GLN 124 H -0.05 0.03 -0.42 -0.55 8.47 7.48 2z92B1 GLN 124 HA -0.05 0.10 0.43 -0.75 4.36 4.09 2z92B1 GLN 124 HB2 -0.07 -0.03 0.03 -0.04 2.15 2.04 2z92B1 GLN 124 HB3 -0.09 0.05 0.06 -0.04 2.02 2.00 2z92B1 GLN 124 HG2 -0.10 0.36 -0.60 -0.04 2.40 2.02 2z92B1 GLN 124 HG3 -0.07 -0.02 -0.09 -0.04 2.39 2.17 2z92B1 GLN 124 HE21 -0.09 0.04 -0.13 -0.04 6.97 6.75 2z92B1 GLN 124 HE22 -0.07 0.02 -0.14 -0.04 7.69 7.46 2z92B1 LEU 125 H -0.07 0.35 -0.10 -0.55 8.37 8.00 2z92B1 LEU 125 HA -0.06 0.22 0.45 -0.75 4.35 4.20 2z92B1 LEU 125 HB2 -0.04 0.07 0.17 -0.04 1.64 1.81 2z92B1 LEU 125 HB3 -0.01 -0.04 0.02 -0.04 1.64 1.56 2z92B1 LEU 125 HG -0.13 0.12 0.02 -0.04 1.64 1.61 2z92B1 LEU 125 HD13 0.00 -0.02 -0.05 -0.04 0.93 0.82 2z92B1 LEU 125 HD23 -0.16 0.03 0.02 -0.04 0.89 0.74 2z92B1 THR 126 H -0.03 0.39 -0.41 -0.55 8.28 7.68 2z92B1 THR 126 HA -0.01 0.02 0.40 -0.75 4.39 4.05 2z92B1 THR 126 HB -0.02 0.23 0.10 -0.04 4.32 4.59 2z92B1 THR 126 HG23 -0.01 -0.02 -0.01 -0.04 1.22 1.14 2z92B1 SER 127 H -0.03 0.49 -0.43 -0.55 8.46 7.95 2z92B1 SER 127 HA -0.02 0.13 0.72 -0.75 4.49 4.57 2z92B1 SER 127 HB2 -0.03 0.04 0.14 -0.04 3.95 4.05 2z92B1 SER 127 HB3 -0.02 -0.06 0.17 -0.04 3.93 3.98 2z92B1 GLY 128 H -0.02 0.51 -0.31 -0.55 8.43 8.07 2z92B1 GLY 128 HA2 -0.01 -0.02 0.36 -0.51 4.01 3.83 2z92B1 GLY 128 HA3 -0.01 0.09 0.59 -0.51 4.01 4.17 2z92B1 GLY 129 H -0.04 0.32 -0.22 -0.55 8.43 7.94 2z92B1 GLY 129 HA2 -0.04 0.16 0.88 -0.51 4.01 4.50 2z92B1 GLY 129 HA3 -0.05 0.01 0.17 -0.51 4.01 3.63 2z92B1 ALA 130 H -0.09 0.42 0.10 -0.55 8.40 8.28 2z92B1 ALA 130 HA -0.23 0.02 0.62 -0.75 4.34 3.99 2z92B1 ALA 130 HB3 -0.33 0.04 -0.19 -0.04 1.41 0.88 2z92B1 SER 131 H -0.20 0.12 0.14 -0.55 8.46 7.97 2z92B1 SER 131 HA -0.19 0.45 1.20 -0.75 4.49 5.20 2z92B1 SER 131 HB2 -0.12 -0.08 -0.00 -0.04 3.95 3.71 2z92B1 SER 131 HB3 -0.13 0.05 -0.15 -0.04 3.93 3.66 2z92B1 VAL 132 H -0.27 0.77 0.37 -0.55 8.24 8.55 2z92B1 VAL 132 HA -0.02 0.29 0.89 -0.75 4.13 4.54 2z92B1 VAL 132 HB -0.52 -0.07 0.10 -0.04 2.12 1.59 2z92B1 VAL 132 HG13 0.47 0.00 -0.14 -0.04 0.97 1.26 2z92B1 VAL 132 HG23 -0.18 0.01 -0.13 -0.04 0.95 0.62 2z92B1 VAL 133 H 0.14 0.55 0.26 -0.55 8.24 8.64 2z92B1 VAL 133 HA 0.09 0.29 1.22 -0.75 4.13 4.98 2z92B1 VAL 133 HB -0.09 -0.01 0.03 -0.04 2.12 2.01 2z92B1 VAL 133 HG13 -0.52 0.00 -0.15 -0.04 0.97 0.25 2z92B1 VAL 133 HG23 -0.08 0.00 -0.22 -0.04 0.95 0.60 2z92B1 CYS 134 H 0.10 0.64 0.39 -0.55 8.50 9.07 2z92B1 CYS 134 HA 0.05 0.38 1.14 -0.75 4.58 5.39 2z92B1 CYS 134 HB2 -0.11 -0.03 -0.15 -0.04 2.97 2.65 2z92B1 CYS 134 HB3 -0.09 -0.05 0.07 -0.04 2.97 2.86 2z92B1 PHE 135 H 0.17 0.64 0.37 -0.55 8.34 8.96 2z92B1 PHE 135 HA 0.08 0.27 1.13 -0.75 4.62 5.35 2z92B1 PHE 135 HB2 0.20 -0.03 0.15 -0.04 3.15 3.42 2z92B1 PHE 135 HB3 0.11 -0.01 -0.00 -0.04 3.06 3.12 2z92B1 PHE 135 HD2 0.20 0.05 -0.02 -0.04 7.28 7.47 2z92B1 PHE 135 HE2 -0.30 -0.01 -0.10 -0.04 7.38 6.93 2z92B1 PHE 135 HZ -0.15 -0.01 -0.10 -0.04 7.32 7.02 2z92B1 LEU 136 H 0.25 0.72 0.25 -0.55 8.37 9.03 2z92B1 LEU 136 HA 0.10 0.19 0.68 -0.75 4.35 4.57 2z92B1 LEU 136 HB2 0.09 -0.04 0.12 -0.04 1.64 1.77 2z92B1 LEU 136 HB3 -0.11 0.02 -0.05 -0.04 1.64 1.46 2z92B1 LEU 136 HG -0.05 0.05 -0.20 -0.04 1.64 1.39 2z92B1 LEU 136 HD13 -0.03 -0.08 -0.50 -0.04 0.93 0.28 2z92B1 LEU 136 HD23 -0.15 -0.00 -0.17 -0.04 0.89 0.52 2z92B1 ASN 137 H 0.17 0.61 0.15 -0.55 8.53 8.93 2z92B1 ASN 137 HA 0.22 0.14 1.27 -0.75 4.76 5.63 2z92B1 ASN 137 HB2 0.08 0.07 0.06 -0.04 2.88 3.04 2z92B1 ASN 137 HB3 0.04 -0.02 0.03 -0.04 2.79 2.79 2z92B1 ASN 137 HD21 -0.22 -0.01 -0.08 -0.04 7.03 6.68 2z92B1 ASN 137 HD22 -0.00 0.04 -0.06 -0.04 7.74 7.67 2z92B1 ASN 138 H 0.01 0.06 0.09 -0.55 8.53 8.15 2z92B1 ASN 138 HA -0.06 -0.04 0.30 -0.75 4.76 4.21 2z92B1 ASN 138 HB2 0.04 0.10 -0.03 -0.04 2.88 2.94 2z92B1 ASN 138 HB3 0.01 0.03 0.13 -0.04 2.79 2.92 2z92B1 ASN 138 HD21 -0.03 -0.04 -0.03 -0.04 7.03 6.90 2z92B1 ASN 138 HD22 -0.02 0.03 -0.02 -0.04 7.74 7.69 2z92B1 PHE 139 H -0.35 0.50 0.08 -0.55 8.34 8.02 2z92B1 PHE 139 HA 0.02 0.36 0.67 -0.75 4.62 4.92 2z92B1 PHE 139 HB2 -0.39 0.02 0.04 -0.04 3.15 2.77 2z92B1 PHE 139 HB3 -0.14 -0.08 -0.24 -0.04 3.06 2.56 2z92B1 PHE 139 HD2 0.09 0.10 -0.37 -0.04 7.28 7.05 2z92B1 PHE 139 HE2 0.12 0.05 -0.21 -0.04 7.38 7.31 2z92B1 PHE 139 HZ 0.27 0.01 -0.31 -0.04 7.32 7.25 2z92B1 TYR 140 H 0.35 0.52 0.26 -0.55 8.29 8.87 2z92B1 TYR 140 HA 0.34 -0.03 0.33 -0.75 4.56 4.44 2z92B1 TYR 140 HB2 0.11 0.14 -0.19 -0.04 3.06 3.07 2z92B1 TYR 140 HB3 0.13 0.02 -0.05 -0.04 2.98 3.04 2z92B1 TYR 140 HD2 0.14 0.06 -0.19 -0.04 7.15 7.12 2z92B1 TYR 140 HE2 0.14 0.04 -0.00 -0.04 6.85 6.99 2z92B1 PRO 141 HA -1.33 0.13 0.32 -0.51 4.44 3.06 2z92B1 PRO 141 HB2 -0.15 -0.05 0.05 -0.04 2.28 2.09 2z92B1 PRO 141 HB3 -0.29 0.02 0.14 -0.04 2.02 1.85 2z92B1 PRO 141 HG2 -0.05 0.04 0.11 -0.04 2.03 2.08 2z92B1 PRO 141 HG3 -0.01 0.08 0.08 -0.04 2.03 2.13 2z92B1 PRO 141 HD2 -0.05 0.01 0.25 -0.04 3.68 3.85 2z92B1 PRO 141 HD3 0.19 0.15 0.49 -0.04 3.65 4.44 2z92B1 LYS 142 H -0.42 0.14 0.09 -0.55 8.42 7.67 2z92B1 LYS 142 HA -0.07 0.17 0.38 -0.75 4.32 4.05 2z92B1 LYS 142 HB2 -0.74 0.04 0.09 -0.04 1.87 1.22 2z92B1 LYS 142 HB3 -2.02 0.02 0.05 -0.04 1.79 -0.21 2z92B1 LYS 142 HG2 -0.39 -0.07 0.05 -0.04 1.46 1.00 2z92B1 LYS 142 HG3 -0.30 0.02 -0.19 -0.04 1.46 0.95 2z92B1 LYS 142 HD2 -0.40 0.03 -0.03 -0.04 1.69 1.25 2z92B1 LYS 142 HD3 -0.48 0.00 -0.02 -0.04 1.68 1.15 2z92B1 LYS 142 HE2 -0.15 -0.02 -0.05 -0.04 2.99 2.73 2z92B1 LYS 142 HE3 -0.18 -0.00 -0.06 -0.04 2.99 2.71 2z92B1 ASP 143 H -0.07 -0.02 -0.37 -0.55 8.40 7.39 2z92B1 ASP 143 HA -0.05 0.11 0.58 -0.75 4.63 4.51 2z92B1 ASP 143 HB2 -0.10 -0.03 0.05 -0.04 2.71 2.58 2z92B1 ASP 143 HB3 -0.08 0.05 -0.01 -0.04 2.70 2.62 2z92B1 ILE 144 H 0.01 0.27 0.22 -0.55 8.25 8.19 2z92B1 ILE 144 HA 0.00 0.17 0.67 -0.75 4.18 4.26 2z92B1 ILE 144 HB -0.17 0.09 -0.37 -0.04 1.89 1.41 2z92B1 ILE 144 HG12 -0.12 0.07 -0.20 -0.04 1.49 1.20 2z92B1 ILE 144 HG13 -0.11 0.08 -0.00 -0.04 1.21 1.14 2z92B1 ILE 144 HG23 -0.02 0.01 -0.23 -0.04 0.93 0.64 2z92B1 ILE 144 HD13 -0.67 -0.03 -0.17 -0.04 0.88 -0.03 2z92B1 ASN 145 H -0.03 0.53 0.31 -0.55 8.53 8.80 2z92B1 ASN 145 HA 0.06 0.21 1.03 -0.75 4.76 5.30 2z92B1 ASN 145 HB2 -0.01 0.00 0.07 -0.04 2.88 2.90 2z92B1 ASN 145 HB3 -0.00 0.05 -0.02 -0.04 2.79 2.77 2z92B1 ASN 145 HD21 0.02 -0.02 0.01 -0.04 7.03 7.00 2z92B1 ASN 145 HD22 0.02 0.04 0.02 -0.04 7.74 7.78 2z92B1 VAL 146 H 0.03 0.27 0.22 -0.55 8.24 8.21 2z92B1 VAL 146 HA -0.13 0.39 0.92 -0.75 4.13 4.56 2z92B1 VAL 146 HB -0.03 -0.04 -0.03 -0.04 2.12 1.98 2z92B1 VAL 146 HG13 -0.42 -0.01 -0.16 -0.04 0.97 0.34 2z92B1 VAL 146 HG23 -0.08 -0.00 -0.28 -0.04 0.95 0.55 2z92B1 LYS 147 H -0.24 0.43 0.30 -0.55 8.42 8.34 2z92B1 LYS 147 HA -0.01 0.13 0.72 -0.75 4.32 4.41 2z92B1 LYS 147 HB2 -0.03 0.03 -0.13 -0.04 1.87 1.70 2z92B1 LYS 147 HB3 -0.07 -0.03 0.00 -0.04 1.79 1.65 2z92B1 LYS 147 HG2 0.01 0.06 -0.28 -0.04 1.46 1.21 2z92B1 LYS 147 HG3 0.03 0.01 0.07 -0.04 1.46 1.52 2z92B1 LYS 147 HD2 -0.02 -0.01 -0.12 -0.04 1.69 1.49 2z92B1 LYS 147 HD3 0.00 -0.03 -0.06 -0.04 1.68 1.55 2z92B1 LYS 147 HE2 0.01 0.01 -0.03 -0.04 2.99 2.93 2z92B1 LYS 147 HE3 -0.01 0.00 -0.09 -0.04 2.99 2.85 2z92B1 TRP 148 H 0.22 0.26 0.20 -0.55 7.97 8.10 2z92B1 TRP 148 HA -0.01 0.37 1.07 -0.75 4.62 5.30 2z92B1 TRP 148 HB2 0.00 0.18 0.17 -0.04 3.23 3.54 2z92B1 TRP 148 HB3 0.01 -0.01 -0.02 -0.04 3.23 3.17 2z92B1 TRP 148 HD1 0.01 0.04 -0.13 -0.04 7.22 7.09 2z92B1 TRP 148 HE1 -0.02 -0.06 -0.26 -0.04 10.20 9.82 2z92B1 TRP 148 HE3 0.06 0.06 -0.06 -0.04 7.59 7.60 2z92B1 TRP 148 HZ2 -0.03 0.18 -0.16 -0.04 7.44 7.40 2z92B1 TRP 148 HZ3 0.10 -0.03 -0.29 -0.04 7.13 6.87 2z92B1 TRP 148 HH2 0.04 -0.04 -0.54 -0.04 7.19 6.61 2z92B1 LYS 149 H 0.16 0.56 0.26 -0.55 8.42 8.84 2z92B1 LYS 149 HA 0.02 0.26 0.64 -0.75 4.32 4.49 2z92B1 LYS 149 HB2 -0.02 -0.04 -0.09 -0.04 1.87 1.67 2z92B1 LYS 149 HB3 -0.04 -0.07 -0.37 -0.04 1.79 1.27 2z92B1 LYS 149 HG2 -0.01 0.01 -0.35 -0.04 1.46 1.07 2z92B1 LYS 149 HG3 -0.01 -0.04 -0.59 -0.04 1.46 0.78 2z92B1 LYS 149 HD2 -0.04 -0.03 -0.20 -0.04 1.69 1.38 2z92B1 LYS 149 HD3 -0.03 0.10 -0.17 -0.04 1.68 1.55 2z92B1 LYS 149 HE2 -0.02 -0.01 -0.09 -0.04 2.99 2.84 2z92B1 LYS 149 HE3 -0.02 -0.03 -0.17 -0.04 2.99 2.73 2z92B1 ILE 150 H -0.10 0.75 0.07 -0.55 8.25 8.42 2z92B1 ILE 150 HA -0.38 0.35 1.05 -0.75 4.18 4.44 2z92B1 ILE 150 HB -0.33 0.03 0.10 -0.04 1.89 1.65 2z92B1 ILE 150 HG12 -0.23 0.03 -0.12 -0.04 1.49 1.13 2z92B1 ILE 150 HG13 -0.05 -0.08 -0.30 -0.04 1.21 0.74 2z92B1 ILE 150 HG23 -0.76 0.01 -0.10 -0.04 0.93 0.04 2z92B1 ILE 150 HD13 -0.02 0.01 -0.11 -0.04 0.88 0.71 2z92B1 ASP 151 H -0.26 0.60 0.25 -0.55 8.40 8.44 2z92B1 ASP 151 HA -0.11 -0.04 0.38 -0.75 4.63 4.11 2z92B1 ASP 151 HB2 -0.14 0.18 -0.09 -0.04 2.71 2.61 2z92B1 ASP 151 HB3 -0.05 0.03 0.29 -0.04 2.70 2.93 2z92B1 GLY 152 H -0.09 0.06 -0.45 -0.55 8.43 7.41 2z92B1 GLY 152 HA2 -0.05 -0.02 0.22 -0.51 4.01 3.66 2z92B1 GLY 152 HA3 -0.05 0.17 0.55 -0.51 4.01 4.17 2z92B1 SER 153 H -0.08 0.44 -0.37 -0.55 8.46 7.90 2z92B1 SER 153 HA -0.03 0.11 0.84 -0.75 4.49 4.65 2z92B1 SER 153 HB2 -0.03 0.02 0.05 -0.04 3.95 3.95 2z92B1 SER 153 HB3 -0.04 -0.01 0.05 -0.04 3.93 3.88 2z92B1 GLU 154 H -0.01 0.09 0.17 -0.55 8.60 8.30 2z92B1 GLU 154 HA 0.03 0.25 0.60 -0.75 4.29 4.42 2z92B1 GLU 154 HB2 0.01 0.00 0.09 -0.04 2.09 2.15 2z92B1 GLU 154 HB3 0.01 -0.06 0.13 -0.04 1.99 2.03 2z92B1 GLU 154 HG2 0.04 -0.09 -0.42 -0.04 2.34 1.83 2z92B1 GLU 154 HG3 0.06 0.10 0.01 -0.04 2.34 2.47 2z92B1 ARG 155 H 0.10 0.79 0.33 -0.55 8.46 9.13 2z92B1 ARG 155 HA 0.01 0.08 0.85 -0.75 4.34 4.52 2z92B1 ARG 155 HB2 -0.01 0.04 -0.08 -0.04 1.90 1.81 2z92B1 ARG 155 HB3 0.11 -0.04 -0.04 -0.04 1.80 1.79 2z92B1 ARG 155 HG2 -0.04 -0.00 -0.13 -0.04 1.67 1.45 2z92B1 ARG 155 HG3 -0.01 0.03 -0.36 -0.04 1.67 1.28 2z92B1 ARG 155 HD2 -0.01 -0.13 0.10 -0.04 3.22 3.13 2z92B1 ARG 155 HD3 -0.03 0.01 -0.02 -0.04 3.22 3.14 2z92B1 GLN 156 H 0.03 0.06 0.16 -0.55 8.47 8.17 2z92B1 GLN 156 HA 0.09 0.26 1.08 -0.75 4.36 5.03 2z92B1 GLN 156 HB2 0.03 -0.02 0.07 -0.04 2.15 2.19 2z92B1 GLN 156 HB3 0.05 0.01 0.03 -0.04 2.02 2.07 2z92B1 GLN 156 HG2 0.07 0.06 -0.08 -0.04 2.40 2.41 2z92B1 GLN 156 HG3 0.05 -0.03 -0.31 -0.04 2.39 2.05 2z92B1 GLN 156 HE21 0.03 -0.00 -0.02 -0.04 6.97 6.94 2z92B1 GLN 156 HE22 0.04 0.01 -0.04 -0.04 7.69 7.65 2z92B1 ASN 157 H 0.01 0.01 0.15 -0.55 8.53 8.15 2z92B1 ASN 157 HA 0.01 0.12 0.73 -0.75 4.76 4.87 2z92B1 ASN 157 HB2 -0.00 -0.00 0.13 -0.04 2.88 2.96 2z92B1 ASN 157 HB3 -0.00 0.04 0.05 -0.04 2.79 2.83 2z92B1 ASN 157 HD21 0.01 0.04 0.03 -0.04 7.03 7.07 2z92B1 ASN 157 HD22 0.01 -0.03 0.09 -0.04 7.74 7.77 2z92B1 GLY 158 H -0.01 0.14 0.22 -0.55 8.43 8.23 2z92B1 GLY 158 HA2 -0.04 0.00 0.37 -0.51 4.01 3.83 2z92B1 GLY 158 HA3 -0.07 0.25 0.69 -0.51 4.01 4.38 2z92B1 VAL 159 H -0.01 0.12 -0.02 -0.55 8.24 7.78 2z92B1 VAL 159 HA -0.10 0.38 1.02 -0.75 4.13 4.69 2z92B1 VAL 159 HB 0.08 0.06 0.08 -0.04 2.12 2.29 2z92B1 VAL 159 HG13 0.22 -0.03 -0.29 -0.04 0.97 0.82 2z92B1 VAL 159 HG23 -0.06 -0.00 -0.34 -0.04 0.95 0.51 2z92B1 LEU 160 H -0.03 0.59 0.32 -0.55 8.37 8.71 2z92B1 LEU 160 HA 0.00 0.15 0.96 -0.75 4.35 4.70 2z92B1 LEU 160 HB2 -0.04 -0.02 0.16 -0.04 1.64 1.70 2z92B1 LEU 160 HB3 -0.03 0.03 0.02 -0.04 1.64 1.63 2z92B1 LEU 160 HG -0.03 0.02 -0.18 -0.04 1.64 1.41 2z92B1 LEU 160 HD13 -0.02 -0.01 -0.04 -0.04 0.93 0.82 2z92B1 LEU 160 HD23 0.00 0.05 -0.08 -0.04 0.89 0.82 2z92B1 ASN 161 H -0.07 0.19 0.19 -0.55 8.53 8.31 2z92B1 ASN 161 HA -0.27 0.37 1.21 -0.75 4.76 5.31 2z92B1 ASN 161 HB2 -0.29 -0.02 0.08 -0.04 2.88 2.61 2z92B1 ASN 161 HB3 -0.98 0.03 0.01 -0.04 2.79 1.81 2z92B1 ASN 161 HD21 0.16 0.01 -0.08 -0.04 7.03 7.08 2z92B1 ASN 161 HD22 0.24 0.01 -0.02 -0.04 7.74 7.93 2z92B1 SER 162 H -0.62 0.58 0.41 -0.55 8.46 8.28 2z92B1 SER 162 HA -0.33 0.14 0.85 -0.75 4.49 4.40 2z92B1 SER 162 HB2 -0.11 0.04 -0.15 -0.04 3.95 3.69 2z92B1 SER 162 HB3 -0.12 -0.04 0.05 -0.04 3.93 3.78 2z92B1 TRP 163 H 0.32 0.24 0.19 -0.55 7.97 8.18 2z92B1 TRP 163 HA 0.14 0.25 1.15 -0.75 4.62 5.40 2z92B1 TRP 163 HB2 0.08 -0.04 0.10 -0.04 3.23 3.33 2z92B1 TRP 163 HB3 0.12 0.12 0.09 -0.04 3.23 3.52 2z92B1 TRP 163 HD1 0.21 0.07 -0.04 -0.04 7.22 7.42 2z92B1 TRP 163 HE1 0.07 0.03 -0.08 -0.04 10.20 10.18 2z92B1 TRP 163 HE3 0.06 -0.02 0.03 -0.04 7.59 7.62 2z92B1 TRP 163 HZ2 0.05 0.01 -0.04 -0.04 7.44 7.42 2z92B1 TRP 163 HZ3 0.05 0.03 -0.01 -0.04 7.13 7.15 2z92B1 TRP 163 HH2 0.05 -0.01 -0.02 -0.04 7.19 7.17 2z92B1 THR 164 H 0.23 0.40 0.26 -0.55 8.28 8.62 2z92B1 THR 164 HA 0.13 0.09 0.66 -0.75 4.39 4.52 2z92B1 THR 164 HB 0.05 0.04 0.12 -0.04 4.32 4.48 2z92B1 THR 164 HG23 0.05 -0.00 -0.06 -0.04 1.22 1.17 2z92B1 ASP 165 H 0.07 0.06 0.14 -0.55 8.40 8.13 2z92B1 ASP 165 HA 0.18 0.12 0.56 -0.75 4.63 4.74 2z92B1 ASP 165 HB2 0.03 -0.00 0.05 -0.04 2.71 2.74 2z92B1 ASP 165 HB3 0.05 0.00 0.12 -0.04 2.70 2.83 2z92B1 GLN 166 H 0.04 0.07 0.10 -0.55 8.47 8.14 2z92B1 GLN 166 HA -0.79 0.18 0.28 -0.75 4.36 3.28 2z92B1 GLN 166 HB2 -0.25 -0.04 0.09 -0.04 2.15 1.91 2z92B1 GLN 166 HB3 -0.10 -0.03 0.08 -0.04 2.02 1.93 2z92B1 GLN 166 HG2 -0.16 0.11 -0.15 -0.04 2.40 2.15 2z92B1 GLN 166 HG3 -0.45 0.07 -0.18 -0.04 2.39 1.79 2z92B1 GLN 166 HE21 0.22 0.30 0.16 -0.04 6.97 7.61 2z92B1 GLN 166 HE22 0.06 0.37 0.11 -0.04 7.69 8.19 2z92B1 ASP 167 H -0.30 0.72 0.25 -0.55 8.40 8.53 2z92B1 ASP 167 HA -0.09 0.06 0.46 -0.75 4.63 4.30 2z92B1 ASP 167 HB2 -0.12 0.17 0.12 -0.04 2.71 2.84 2z92B1 ASP 167 HB3 -0.12 -0.30 0.14 -0.04 2.70 2.38 2z92B1 SER 168 H -0.05 0.13 0.20 -0.55 8.46 8.19 2z92B1 SER 168 HA -0.05 0.23 0.49 -0.75 4.49 4.41 2z92B1 SER 168 HB2 -0.02 0.05 0.10 -0.04 3.95 4.03 2z92B1 SER 168 HB3 -0.03 0.07 0.11 -0.04 3.93 4.04 2z92B1 LYS 169 H -0.05 -0.07 -0.13 -0.55 8.42 7.62 2z92B1 LYS 169 HA -0.03 0.28 0.90 -0.75 4.32 4.72 2z92B1 LYS 169 HB2 -0.03 -0.07 0.06 -0.04 1.87 1.79 2z92B1 LYS 169 HB3 -0.02 0.05 -0.00 -0.04 1.79 1.78 2z92B1 LYS 169 HG2 -0.02 0.04 -0.02 -0.04 1.46 1.43 2z92B1 LYS 169 HG3 -0.02 0.03 -0.15 -0.04 1.46 1.28 2z92B1 LYS 169 HD2 -0.02 0.05 -0.01 -0.04 1.69 1.67 2z92B1 LYS 169 HD3 -0.03 -0.14 0.05 -0.04 1.68 1.52 2z92B1 LYS 169 HE2 -0.03 -0.01 0.00 -0.04 2.99 2.91 2z92B1 LYS 169 HE3 -0.02 0.04 -0.01 -0.04 2.99 2.96 2z92B1 ASP 170 H -0.06 -0.07 -0.02 -0.55 8.40 7.71 2z92B1 ASP 170 HA -0.05 0.31 0.90 -0.75 4.63 5.03 2z92B1 ASP 170 HB2 -0.04 0.08 0.10 -0.04 2.71 2.82 2z92B1 ASP 170 HB3 -0.03 -0.03 -0.06 -0.04 2.70 2.53 2z92B1 SER 171 H -0.08 0.16 -0.24 -0.55 8.46 7.75 2z92B1 SER 171 HA -0.14 0.24 0.31 -0.75 4.49 4.14 2z92B1 SER 171 HB2 -0.13 0.11 -0.18 -0.04 3.95 3.71 2z92B1 SER 171 HB3 -0.08 0.05 0.15 -0.04 3.93 4.01 2z92B1 THR 172 H -0.13 -0.14 -0.28 -0.55 8.28 7.17 2z92B1 THR 172 HA 0.02 0.33 0.82 -0.75 4.39 4.80 2z92B1 THR 172 HB -0.08 -0.01 -0.01 -0.04 4.32 4.18 2z92B1 THR 172 HG23 0.01 0.09 -0.24 -0.04 1.22 1.04 2z92B1 TYR 173 H -0.26 0.71 0.29 -0.55 8.29 8.48 2z92B1 TYR 173 HA -0.18 0.18 0.77 -0.75 4.56 4.57 2z92B1 TYR 173 HB2 -0.86 0.06 -0.06 -0.04 3.06 2.16 2z92B1 TYR 173 HB3 -0.29 0.07 0.02 -0.04 2.98 2.74 2z92B1 TYR 173 HD2 -0.06 0.17 -0.11 -0.04 7.15 7.11 2z92B1 TYR 173 HE2 0.00 -0.04 -0.02 -0.04 6.85 6.75 2z92B1 SER 174 H 0.04 0.26 0.22 -0.55 8.46 8.44 2z92B1 SER 174 HA 0.18 0.30 0.98 -0.75 4.49 5.20 2z92B1 SER 174 HB2 0.04 -0.03 0.04 -0.04 3.95 3.96 2z92B1 SER 174 HB3 0.10 0.06 0.11 -0.04 3.93 4.17 2z92B1 MET 175 H 0.35 0.63 0.38 -0.55 8.47 9.27 2z92B1 MET 175 HA 0.06 0.26 1.04 -0.75 4.52 5.13 2z92B1 MET 175 HB2 0.47 0.05 -0.12 -0.04 2.15 2.51 2z92B1 MET 175 HB3 0.25 -0.02 0.00 -0.04 2.03 2.23 2z92B1 MET 175 HG2 -0.07 -0.06 -0.40 -0.04 2.63 2.06 2z92B1 MET 175 HG3 -0.57 0.08 0.02 -0.04 2.56 2.04 2z92B1 MET 175 HE3 0.05 -0.01 -0.11 -0.04 2.10 1.99 2z92B1 SER 176 H -0.17 0.66 0.40 -0.55 8.46 8.80 2z92B1 SER 176 HA 0.16 0.28 1.11 -0.75 4.49 5.28 2z92B1 SER 176 HB2 0.29 -0.03 -0.06 -0.04 3.95 4.11 2z92B1 SER 176 HB3 0.02 -0.04 0.11 -0.04 3.93 3.99 2z92B1 SER 177 H 0.02 0.72 0.36 -0.55 8.46 9.02 2z92B1 SER 177 HA 0.03 0.25 1.02 -0.75 4.49 5.04 2z92B1 SER 177 HB2 0.03 -0.02 -0.13 -0.04 3.95 3.79 2z92B1 SER 177 HB3 0.19 -0.03 0.08 -0.04 3.93 4.13 2z92B1 THR 178 H 0.04 0.66 0.30 -0.55 8.28 8.73 2z92B1 THR 178 HA -0.00 0.28 1.18 -0.75 4.39 5.09 2z92B1 THR 178 HB -0.05 -0.02 0.17 -0.04 4.32 4.38 2z92B1 THR 178 HG23 -0.09 -0.01 -0.24 -0.04 1.22 0.84 2z92B1 LEU 179 H -0.45 0.78 0.33 -0.55 8.37 8.48 2z92B1 LEU 179 HA -0.40 0.31 0.88 -0.75 4.35 4.39 2z92B1 LEU 179 HB2 -1.89 -0.03 -0.06 -0.04 1.64 -0.38 2z92B1 LEU 179 HB3 -1.29 -0.02 0.19 -0.04 1.64 0.48 2z92B1 LEU 179 HG -0.35 -0.04 -0.32 -0.04 1.64 0.89 2z92B1 LEU 179 HD13 -0.30 0.02 -0.20 -0.04 0.93 0.41 2z92B1 LEU 179 HD23 -0.45 -0.02 -0.12 -0.04 0.89 0.25 2z92B1 THR 180 H -0.17 0.70 0.35 -0.55 8.28 8.61 2z92B1 THR 180 HA -0.15 0.26 1.23 -0.75 4.39 4.97 2z92B1 THR 180 HB -0.08 0.01 0.14 -0.04 4.32 4.34 2z92B1 THR 180 HG23 -0.07 -0.03 -0.19 -0.04 1.22 0.88 2z92B1 LEU 181 H -0.09 0.84 0.40 -0.55 8.37 8.98 2z92B1 LEU 181 HA -0.01 0.11 0.82 -0.75 4.35 4.51 2z92B1 LEU 181 HB2 0.07 0.07 -0.01 -0.04 1.64 1.72 2z92B1 LEU 181 HB3 0.08 -0.13 0.08 -0.04 1.64 1.62 2z92B1 LEU 181 HG -0.04 -0.03 -0.50 -0.04 1.64 1.03 2z92B1 LEU 181 HD13 0.21 0.00 -0.17 -0.04 0.93 0.93 2z92B1 LEU 181 HD23 0.01 0.01 -0.06 -0.04 0.89 0.81 2z92B1 THR 182 H 0.03 0.07 0.16 -0.55 8.28 7.99 2z92B1 THR 182 HA -0.00 0.24 0.64 -0.75 4.39 4.52 2z92B1 THR 182 HB 0.02 0.03 0.21 -0.04 4.32 4.53 2z92B1 THR 182 HG23 0.01 0.04 0.09 -0.04 1.22 1.31 2z92B1 LYS 183 H 0.01 0.52 0.12 -0.55 8.42 8.51 2z92B1 LYS 183 HA 0.05 0.11 0.23 -0.75 4.32 3.95 2z92B1 LYS 183 HB2 -0.00 0.04 -0.14 -0.04 1.87 1.73 2z92B1 LYS 183 HB3 0.02 -0.03 0.10 -0.04 1.79 1.84 2z92B1 LYS 183 HG2 0.06 -0.04 -0.26 -0.04 1.46 1.18 2z92B1 LYS 183 HG3 0.05 -0.01 0.00 -0.04 1.46 1.47 2z92B1 LYS 183 HD2 0.00 0.39 0.11 -0.04 1.69 2.16 2z92B1 LYS 183 HD3 0.01 -0.05 0.02 -0.04 1.68 1.62 2z92B1 LYS 183 HE2 0.03 -0.03 -0.04 -0.04 2.99 2.91 2z92B1 LYS 183 HE3 0.02 0.02 -0.03 -0.04 2.99 2.95 2z92B1 ASP 184 H 0.04 0.09 -0.12 -0.55 8.40 7.87 2z92B1 ASP 184 HA 0.05 0.15 0.44 -0.75 4.63 4.51 2z92B1 ASP 184 HB2 0.02 -0.03 0.04 -0.04 2.71 2.69 2z92B1 ASP 184 HB3 0.02 0.06 -0.01 -0.04 2.70 2.73 2z92B1 GLU 185 H 0.07 0.04 -0.29 -0.55 8.60 7.87 2z92B1 GLU 185 HA 0.06 0.10 0.38 -0.75 4.29 4.08 2z92B1 GLU 185 HB2 0.10 0.02 0.07 -0.04 2.09 2.24 2z92B1 GLU 185 HB3 0.13 0.06 -0.02 -0.04 1.99 2.12 2z92B1 GLU 185 HG2 0.06 0.06 0.02 -0.04 2.34 2.44 2z92B1 GLU 185 HG3 0.05 -0.08 0.04 -0.04 2.34 2.30 2z92B1 TYR 186 H 0.22 0.34 -0.36 -0.55 8.29 7.94 2z92B1 TYR 186 HA 0.27 0.02 0.32 -0.75 4.56 4.42 2z92B1 TYR 186 HB2 0.01 0.01 -0.01 -0.04 3.06 3.03 2z92B1 TYR 186 HB3 0.02 0.17 0.08 -0.04 2.98 3.22 2z92B1 TYR 186 HD2 -0.16 0.01 -0.10 -0.04 7.15 6.86 2z92B1 TYR 186 HE2 -0.40 -0.02 -0.07 -0.04 6.85 6.31 2z92B1 GLU 187 H 0.12 0.34 -0.24 -0.55 8.60 8.28 2z92B1 GLU 187 HA -0.13 0.13 0.51 -0.75 4.29 4.04 2z92B1 GLU 187 HB2 0.03 0.03 0.06 -0.04 2.09 2.17 2z92B1 GLU 187 HB3 0.01 -0.04 0.14 -0.04 1.99 2.06 2z92B1 GLU 187 HG2 0.15 -0.04 -0.00 -0.04 2.34 2.40 2z92B1 GLU 187 HG3 0.20 0.28 0.10 -0.04 2.34 2.88 2z92B1 ARG 188 H -0.07 0.31 -0.70 -0.55 8.46 7.45 2z92B1 ARG 188 HA -0.18 0.09 0.68 -0.75 4.34 4.17 2z92B1 ARG 188 HB2 -0.19 0.12 0.13 -0.04 1.90 1.92 2z92B1 ARG 188 HB3 -0.67 -0.06 0.03 -0.04 1.80 1.06 2z92B1 ARG 188 HG2 -0.15 -0.06 0.05 -0.04 1.67 1.46 2z92B1 ARG 188 HG3 -0.13 0.01 0.05 -0.04 1.67 1.56 2z92B1 ARG 188 HD2 -0.04 -0.07 -0.04 -0.04 3.22 3.02 2z92B1 ARG 188 HD3 -0.05 0.26 -0.05 -0.04 3.22 3.35 2z92B1 HIS 189 H -0.10 0.40 -0.23 -0.55 8.41 7.93 2z92B1 HIS 189 HA -0.09 0.13 0.82 -0.75 4.63 4.74 2z92B1 HIS 189 HB2 -0.20 0.10 -0.06 -0.04 3.26 3.06 2z92B1 HIS 189 HB3 -0.26 -0.17 0.03 -0.04 3.20 2.76 2z92B1 HIS 189 HD2 0.01 0.19 -0.06 -0.04 6.97 7.06 2z92B1 HIS 189 HE1 -0.04 -0.03 -0.04 -0.04 7.75 7.60 2z92B1 ASN 190 H -0.03 0.01 0.17 -0.55 8.53 8.13 2z92B1 ASN 190 HA 0.02 0.27 1.14 -0.75 4.76 5.43 2z92B1 ASN 190 HB2 -0.01 0.09 -0.04 -0.04 2.88 2.88 2z92B1 ASN 190 HB3 -0.03 -0.05 0.14 -0.04 2.79 2.82 2z92B1 ASN 190 HD21 0.05 0.06 -0.10 -0.04 7.03 7.00 2z92B1 ASN 190 HD22 0.04 0.10 0.08 -0.04 7.74 7.92 2z92B1 SER 191 H -0.14 0.02 0.22 -0.55 8.46 8.02 2z92B1 SER 191 HA -0.12 0.37 1.05 -0.75 4.49 5.05 2z92B1 SER 191 HB2 -0.08 0.01 0.09 -0.04 3.95 3.93 2z92B1 SER 191 HB3 -0.13 -0.20 0.17 -0.04 3.93 3.73 2z92B1 TYR 192 H -0.29 0.64 0.39 -0.55 8.29 8.47 2z92B1 TYR 192 HA -0.09 0.19 1.03 -0.75 4.56 4.93 2z92B1 TYR 192 HB2 -1.30 0.01 0.13 -0.04 3.06 1.86 2z92B1 TYR 192 HB3 -0.12 0.01 -0.05 -0.04 2.98 2.77 2z92B1 TYR 192 HD2 -0.15 0.05 -0.15 -0.04 7.15 6.86 2z92B1 TYR 192 HE2 -0.13 0.07 -0.19 -0.04 6.85 6.56 2z92B1 THR 193 H 0.07 0.70 0.35 -0.55 8.28 8.86 2z92B1 THR 193 HA -0.02 0.28 1.25 -0.75 4.39 5.14 2z92B1 THR 193 HB -0.03 -0.03 0.06 -0.04 4.32 4.28 2z92B1 THR 193 HG23 -0.08 0.01 -0.28 -0.04 1.22 0.83 2z92B1 CYS 194 H -0.13 0.64 0.35 -0.55 8.50 8.81 2z92B1 CYS 194 HA -0.82 0.17 0.88 -0.75 4.58 4.05 2z92B1 CYS 194 HB2 -0.58 -0.01 -0.08 -0.04 2.97 2.26 2z92B1 CYS 194 HB3 -0.24 -0.03 0.09 -0.04 2.97 2.75 2z92B1 GLU 195 H -0.36 0.52 0.27 -0.55 8.60 8.48 2z92B1 GLU 195 HA -0.13 0.35 1.00 -0.75 4.29 4.75 2z92B1 GLU 195 HB2 -0.12 0.01 -0.09 -0.04 2.09 1.84 2z92B1 GLU 195 HB3 -0.11 -0.09 0.02 -0.04 1.99 1.77 2z92B1 GLU 195 HG2 -0.06 -0.01 -0.20 -0.04 2.34 2.02 2z92B1 GLU 195 HG3 -0.07 0.07 -0.18 -0.04 2.34 2.12 2z92B1 ALA 196 H -0.10 0.86 0.28 -0.55 8.40 8.90 2z92B1 ALA 196 HA -0.11 0.35 1.17 -0.75 4.34 5.00 2z92B1 ALA 196 HB3 -0.11 -0.02 -0.00 -0.04 1.41 1.23 2z92B1 THR 197 H -0.05 0.39 0.15 -0.55 8.28 8.23 2z92B1 THR 197 HA -0.01 0.17 0.90 -0.75 4.39 4.69 2z92B1 THR 197 HB -0.02 -0.09 0.07 -0.04 4.32 4.24 2z92B1 THR 197 HG23 -0.02 0.03 -0.15 -0.04 1.22 1.04 2z92B1 HIS 198 H 0.05 0.38 0.14 -0.55 8.41 8.43 2z92B1 HIS 198 HA -0.06 0.19 0.84 -0.75 4.63 4.85 2z92B1 HIS 198 HB2 -0.11 0.03 -0.25 -0.04 3.26 2.89 2z92B1 HIS 198 HB3 -0.03 -0.00 -0.04 -0.04 3.20 3.08 2z92B1 HIS 198 HD2 -0.15 0.14 0.05 -0.04 6.97 6.97 2z92B1 HIS 198 HE1 0.15 0.30 -0.14 -0.04 7.75 8.01 2z92B1 LYS 199 H -0.84 0.25 0.13 -0.55 8.42 7.41 2z92B1 LYS 199 HA -0.13 0.08 0.36 -0.75 4.32 3.88 2z92B1 LYS 199 HB2 -0.27 0.01 0.13 -0.04 1.87 1.69 2z92B1 LYS 199 HB3 -0.44 0.03 0.13 -0.04 1.79 1.47 2z92B1 LYS 199 HG2 -0.05 0.02 -0.17 -0.04 1.46 1.22 2z92B1 LYS 199 HG3 -0.08 -0.01 0.04 -0.04 1.46 1.37 2z92B1 LYS 199 HD2 -0.10 -0.03 0.06 -0.04 1.69 1.59 2z92B1 LYS 199 HD3 -0.00 0.03 0.04 -0.04 1.68 1.71 2z92B1 LYS 199 HE2 0.02 -0.00 0.02 -0.04 2.99 2.99 2z92B1 LYS 199 HE3 0.00 0.00 -0.00 -0.04 2.99 2.95 2z92B1 THR 200 H 0.20 0.07 -0.31 -0.55 8.28 7.69 2z92B1 THR 200 HA 0.08 0.08 0.38 -0.75 4.39 4.18 2z92B1 THR 200 HB 0.13 -0.01 0.12 -0.04 4.32 4.52 2z92B1 THR 200 HG23 0.27 -0.02 -0.12 -0.04 1.22 1.31 2z92B1 SER 201 H 0.04 0.48 -0.73 -0.55 8.46 7.70 2z92B1 SER 201 HA 0.03 -0.04 0.47 -0.75 4.49 4.19 2z92B1 SER 201 HB2 0.04 0.12 -0.08 -0.04 3.95 4.00 2z92B1 SER 201 HB3 0.04 -0.06 -0.11 -0.04 3.93 3.77 2z92B1 THR 202 H 0.01 0.08 0.11 -0.55 8.28 7.94 2z92B1 THR 202 HA -0.01 0.09 0.41 -0.75 4.39 4.13 2z92B1 THR 202 HB -0.00 0.00 0.04 -0.04 4.32 4.32 2z92B1 THR 202 HG23 0.00 0.00 0.06 -0.04 1.22 1.24 2z92B1 SER 203 H 0.00 0.02 -0.03 -0.55 8.46 7.90 2z92B1 SER 203 HA -0.01 0.16 0.71 -0.75 4.49 4.59 2z92B1 SER 203 HB2 -0.01 0.10 -0.01 -0.04 3.95 3.99 2z92B1 SER 203 HB3 -0.01 -0.04 0.04 -0.04 3.93 3.87 2z92B1 PRO 204 HA -0.02 0.15 0.47 -0.51 4.44 4.54 2z92B1 PRO 204 HB2 -0.05 0.01 -0.27 -0.04 2.28 1.93 2z92B1 PRO 204 HB3 -0.03 -0.04 -0.18 -0.04 2.02 1.72 2z92B1 PRO 204 HG2 -0.03 -0.00 -0.07 -0.04 2.03 1.89 2z92B1 PRO 204 HG3 -0.03 0.00 -0.06 -0.04 2.03 1.90 2z92B1 PRO 204 HD2 -0.02 0.02 0.17 -0.04 3.68 3.81 2z92B1 PRO 204 HD3 -0.02 0.18 0.16 -0.04 3.65 3.93 2z92B1 ILE 205 H -0.03 0.61 0.38 -0.55 8.25 8.65 2z92B1 ILE 205 HA -0.02 0.11 0.73 -0.75 4.18 4.25 2z92B1 ILE 205 HB -0.05 -0.08 0.08 -0.04 1.89 1.81 2z92B1 ILE 205 HG12 -0.01 0.03 0.04 -0.04 1.49 1.51 2z92B1 ILE 205 HG13 -0.02 0.04 0.14 -0.04 1.21 1.33 2z92B1 ILE 205 HG23 -0.02 0.02 0.04 -0.04 0.93 0.93 2z92B1 ILE 205 HD13 -0.01 -0.02 0.04 -0.04 0.88 0.84 2z92B1 VAL 206 H -0.03 0.21 0.23 -0.55 8.24 8.09 2z92B1 VAL 206 HA -0.08 0.39 1.13 -0.75 4.13 4.82 2z92B1 VAL 206 HB -0.03 -0.04 0.02 -0.04 2.12 2.03 2z92B1 VAL 206 HG13 -0.05 -0.01 -0.17 -0.04 0.97 0.69 2z92B1 VAL 206 HG23 -0.05 0.03 -0.29 -0.04 0.95 0.60 2z92B1 LYS 207 H -0.08 0.55 0.38 -0.55 8.42 8.72 2z92B1 LYS 207 HA -0.02 0.14 0.78 -0.75 4.32 4.47 2z92B1 LYS 207 HB2 -0.05 -0.04 -0.01 -0.04 1.87 1.72 2z92B1 LYS 207 HB3 -0.02 -0.02 0.05 -0.04 1.79 1.76 2z92B1 LYS 207 HG2 -0.04 -0.06 -0.36 -0.04 1.46 0.96 2z92B1 LYS 207 HG3 -0.03 0.10 -0.28 -0.04 1.46 1.21 2z92B1 LYS 207 HD2 -0.02 -0.06 0.14 -0.04 1.69 1.71 2z92B1 LYS 207 HD3 -0.02 0.09 0.22 -0.04 1.68 1.94 2z92B1 LYS 207 HE2 -0.01 -0.07 0.05 -0.04 2.99 2.92 2z92B1 LYS 207 HE3 -0.00 0.34 0.18 -0.04 2.99 3.46 2z92B1 SER 208 H 0.03 0.29 0.25 -0.55 8.46 8.49 2z92B1 SER 208 HA 0.03 0.22 0.75 -0.75 4.49 4.73 2z92B1 SER 208 HB2 -0.03 0.02 -0.20 -0.04 3.95 3.70 2z92B1 SER 208 HB3 -0.01 -0.06 -0.15 -0.04 3.93 3.68 2z92B1 PHE 209 H -0.21 0.50 0.37 -0.55 8.34 8.44 2z92B1 PHE 209 HA 0.04 0.09 0.59 -0.75 4.62 4.58 2z92B1 PHE 209 HB2 0.05 0.03 0.13 -0.04 3.15 3.32 2z92B1 PHE 209 HB3 0.03 0.07 -0.13 -0.04 3.06 2.99 2z92B1 PHE 209 HD2 0.10 0.05 -0.41 -0.04 7.28 6.98 2z92B1 PHE 209 HE2 0.14 0.01 -0.22 -0.04 7.38 7.26 2z92B1 PHE 209 HZ -0.08 0.01 -0.07 -0.04 7.32 7.14 2z92B1 ASN 210 H 0.24 0.18 0.19 -0.55 8.53 8.59 2z92B1 ASN 210 HA 0.07 0.28 0.86 -0.75 4.76 5.22 2z92B1 ASN 210 HB2 0.09 -0.01 0.12 -0.04 2.88 3.04 2z92B1 ASN 210 HB3 0.06 0.06 -0.02 -0.04 2.79 2.85 2z92B1 ASN 210 HD21 0.01 -0.02 -0.07 -0.04 7.03 6.92 2z92B1 ASN 210 HD22 0.02 0.04 -0.05 -0.04 7.74 7.71 2z92B1 ARG 211 H 0.13 0.44 0.28 -0.55 8.46 8.76 2z92B1 ARG 211 HA 0.30 0.10 0.15 -0.75 4.34 4.13 2z92B1 ARG 211 HB2 0.06 0.11 0.17 -0.04 1.90 2.20 2z92B1 ARG 211 HB3 0.02 0.02 0.17 -0.04 1.80 1.96 2z92B1 ARG 211 HG2 0.18 -0.04 0.04 -0.04 1.67 1.81 2z92B1 ARG 211 HG3 -0.45 0.02 -0.02 -0.04 1.67 1.17 2z92B1 ARG 211 HD2 0.05 -0.05 0.04 -0.04 3.22 3.22 2z92B1 ARG 211 HD3 0.07 -0.05 -0.01 -0.04 3.22 3.19