============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 18 1.000 -9.100 -0.213 -5.573 -99.200 -91.000 PHE 29 1.000 -15.167 -4.037 -0.635 -99.200 -91.000 TYR 37 0.840 -11.090 1.699 2.788 -99.200 -91.000 TYR 64 0.840 -17.274 -8.564 2.550 -99.200 -91.000 TYR 87 0.840 4.524 -9.347 7.959 -99.200 -91.000 PHE 113 1.000 -12.565 -12.538 1.410 -99.200 -91.000 HIS 124 0.900 1.372 -9.488 -9.345 -99.200 -91.000 HIS 141 0.900 20.381 0.977 -3.423 -99.200 -91.000 PHE 148 1.000 15.634 11.148 -2.188 -99.200 -91.000 PHE 155 1.000 14.401 13.869 2.635 -99.200 -91.000 TYR 164 0.840 9.335 6.318 0.588 -99.200 -91.000 TYR 170 0.840 -0.236 -1.748 1.309 -99.200 -91.000 TRP 179 1.040 5.449 1.961 3.325 -99.200 -91.000 TRP6 179 1.020 5.191 3.783 1.795 -99.200 -91.000 HIS 187 0.900 3.596 13.801 6.162 -99.200 -91.000 TYR 218 0.840 -1.061 -6.432 -2.526 -99.200 -91.000 HIS 223 0.900 -8.694 -3.150 -10.598 -99.200 -91.000 HIS 224 0.900 -8.858 0.169 -18.064 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jo7A9 VAL 69 HA 0.00 -0.09 0.20 -0.75 4.13 3.49 2jo7A9 VAL 69 HB 0.00 0.03 0.02 -0.04 2.12 2.13 2jo7A9 VAL 69 HG13 0.00 -0.01 0.04 -0.04 0.97 0.96 2jo7A9 VAL 69 HG23 0.00 -0.01 -0.04 -0.04 0.95 0.87 2jo7A9 LYS 70 H 0.01 0.06 0.08 -0.55 8.42 8.01 2jo7A9 LYS 70 HA 0.01 0.02 0.50 -0.75 4.32 4.09 2jo7A9 LYS 70 HB2 0.01 0.03 0.11 -0.04 1.87 1.97 2jo7A9 LYS 70 HB3 0.01 0.01 0.05 -0.04 1.79 1.81 2jo7A9 LYS 70 HG2 0.01 -0.01 -0.09 -0.04 1.46 1.33 2jo7A9 LYS 70 HG3 0.01 -0.04 0.04 -0.04 1.46 1.43 2jo7A9 LYS 70 HD2 0.01 0.01 -0.05 -0.04 1.69 1.62 2jo7A9 LYS 70 HD3 0.01 -0.01 -0.09 -0.04 1.68 1.55 2jo7A9 LYS 70 HE2 0.01 0.00 -0.03 -0.04 2.99 2.93 2jo7A9 LYS 70 HE3 0.01 0.00 -0.00 -0.04 2.99 2.95 2jo7A9 THR 71 H 0.01 0.11 0.25 -0.55 8.28 8.10 2jo7A9 THR 71 HA 0.01 0.20 0.60 -0.75 4.39 4.44 2jo7A9 THR 71 HB 0.01 0.26 -0.16 -0.04 4.32 4.39 2jo7A9 THR 71 HG23 0.01 -0.03 -0.02 -0.04 1.22 1.13 2jo7A9 LEU 72 H 0.01 0.26 0.16 -0.55 8.37 8.25 2jo7A9 LEU 72 HA 0.01 0.09 0.29 -0.75 4.35 3.98 2jo7A9 LEU 72 HB2 0.01 0.08 0.12 -0.04 1.64 1.80 2jo7A9 LEU 72 HB3 0.01 0.05 0.16 -0.04 1.64 1.82 2jo7A9 LEU 72 HG 0.01 0.04 -0.07 -0.04 1.64 1.58 2jo7A9 LEU 72 HD13 0.01 0.04 0.04 -0.04 0.93 0.98 2jo7A9 LEU 72 HD23 0.01 -0.03 0.09 -0.04 0.89 0.92 2jo7A9 ASP 73 H 0.01 0.13 -0.13 -0.55 8.40 7.86 2jo7A9 ASP 73 HA 0.01 0.13 0.48 -0.75 4.63 4.50 2jo7A9 ASP 73 HB2 0.01 0.03 0.10 -0.04 2.71 2.80 2jo7A9 ASP 73 HB3 0.01 0.03 0.06 -0.04 2.70 2.75 2jo7A9 VAL 74 H 0.01 0.20 -0.24 -0.55 8.24 7.66 2jo7A9 VAL 74 HA 0.01 0.11 0.57 -0.75 4.13 4.06 2jo7A9 VAL 74 HB 0.01 -0.07 0.22 -0.04 2.12 2.23 2jo7A9 VAL 74 HG13 0.01 0.02 0.01 -0.04 0.97 0.97 2jo7A9 VAL 74 HG23 0.01 0.03 0.05 -0.04 0.95 1.00 2jo7A9 LEU 75 H 0.01 0.44 -0.07 -0.55 8.37 8.20 2jo7A9 LEU 75 HA 0.01 0.04 0.48 -0.75 4.35 4.13 2jo7A9 LEU 75 HB2 0.01 0.08 0.12 -0.04 1.64 1.81 2jo7A9 LEU 75 HB3 0.01 0.02 -0.01 -0.04 1.64 1.63 2jo7A9 LEU 75 HG 0.01 -0.01 -0.10 -0.04 1.64 1.50 2jo7A9 LEU 75 HD13 0.01 -0.01 -0.12 -0.04 0.93 0.77 2jo7A9 LEU 75 HD23 0.01 0.01 -0.04 -0.04 0.89 0.83 2jo7A9 ARG 76 H 0.01 0.47 -0.11 -0.55 8.46 8.28 2jo7A9 ARG 76 HA 0.02 0.05 0.53 -0.75 4.34 4.18 2jo7A9 ARG 76 HB2 0.02 0.07 0.19 -0.04 1.90 2.13 2jo7A9 ARG 76 HB3 0.02 0.00 0.04 -0.04 1.80 1.82 2jo7A9 ARG 76 HG2 0.02 -0.01 0.05 -0.04 1.67 1.69 2jo7A9 ARG 76 HG3 0.02 0.13 0.07 -0.04 1.67 1.84 2jo7A9 ARG 76 HD2 0.02 0.04 0.01 -0.04 3.22 3.25 2jo7A9 ARG 76 HD3 0.02 -0.01 0.01 -0.04 3.22 3.20 2jo7A9 GLY 77 H 0.01 0.55 -0.10 -0.55 8.43 8.35 2jo7A9 GLY 77 HA2 0.02 0.00 0.37 -0.51 4.01 3.88 2jo7A9 GLY 77 HA3 0.01 0.08 0.34 -0.51 4.01 3.93 2jo7A9 GLU 78 H 0.01 0.57 -0.16 -0.55 8.60 8.47 2jo7A9 GLU 78 HA 0.01 0.03 0.50 -0.75 4.29 4.08 2jo7A9 GLU 78 HB2 0.01 0.05 0.12 -0.04 2.09 2.23 2jo7A9 GLU 78 HB3 0.01 0.10 0.16 -0.04 1.99 2.22 2jo7A9 GLU 78 HG2 0.01 -0.01 -0.05 -0.04 2.34 2.25 2jo7A9 GLU 78 HG3 0.01 -0.02 0.06 -0.04 2.34 2.34 2jo7A9 LEU 79 H 0.01 0.55 -0.12 -0.55 8.37 8.27 2jo7A9 LEU 79 HA 0.01 0.02 0.51 -0.75 4.35 4.13 2jo7A9 LEU 79 HB2 0.01 0.03 0.13 -0.04 1.64 1.77 2jo7A9 LEU 79 HB3 0.02 0.11 0.20 -0.04 1.64 1.92 2jo7A9 LEU 79 HG 0.01 -0.02 -0.08 -0.04 1.64 1.51 2jo7A9 LEU 79 HD13 -0.01 -0.01 0.04 -0.04 0.93 0.90 2jo7A9 LEU 79 HD23 0.01 0.00 -0.02 -0.04 0.89 0.84 2jo7A9 ARG 80 H 0.02 0.74 -0.04 -0.55 8.46 8.62 2jo7A9 ARG 80 HA 0.03 -0.01 0.42 -0.75 4.34 4.02 2jo7A9 ARG 80 HB2 0.02 0.10 0.09 -0.04 1.90 2.08 2jo7A9 ARG 80 HB3 0.02 0.14 0.09 -0.04 1.80 2.01 2jo7A9 ARG 80 HG2 0.03 -0.07 0.02 -0.04 1.67 1.60 2jo7A9 ARG 80 HG3 0.03 -0.01 0.05 -0.04 1.67 1.70 2jo7A9 ARG 80 HD2 0.02 0.02 -0.03 -0.04 3.22 3.19 2jo7A9 ARG 80 HD3 0.02 0.00 -0.02 -0.04 3.22 3.18 2jo7A9 GLY 81 H 0.02 0.31 -0.57 -0.55 8.43 7.64 2jo7A9 GLY 81 HA2 0.02 -0.02 0.48 -0.51 4.01 3.98 2jo7A9 GLY 81 HA3 0.02 0.10 0.34 -0.51 4.01 3.96 2jo7A9 GLN 82 H 0.01 0.45 -0.05 -0.55 8.47 8.34 2jo7A9 GLN 82 HA 0.01 0.04 0.43 -0.75 4.36 4.08 2jo7A9 GLN 82 HB2 -0.00 0.03 0.18 -0.04 2.15 2.32 2jo7A9 GLN 82 HB3 -0.01 0.07 0.11 -0.04 2.02 2.15 2jo7A9 GLN 82 HG2 -0.06 0.00 0.01 -0.04 2.40 2.32 2jo7A9 GLN 82 HG3 -0.04 -0.01 0.10 -0.04 2.39 2.40 2jo7A9 GLN 82 HE21 -0.14 0.51 0.15 -0.04 6.97 7.45 2jo7A9 GLN 82 HE22 -0.08 -0.08 0.04 -0.04 7.69 7.52 2jo7A9 ARG 83 H 0.03 0.52 -0.15 -0.55 8.46 8.30 2jo7A9 ARG 83 HA 0.09 0.02 0.49 -0.75 4.34 4.18 2jo7A9 ARG 83 HB2 0.04 0.07 0.16 -0.04 1.90 2.13 2jo7A9 ARG 83 HB3 0.06 -0.04 0.07 -0.04 1.80 1.85 2jo7A9 ARG 83 HG2 0.04 -0.02 -0.01 -0.04 1.67 1.63 2jo7A9 ARG 83 HG3 0.03 0.20 -0.01 -0.04 1.67 1.85 2jo7A9 ARG 83 HD2 0.04 -0.03 -0.03 -0.04 3.22 3.15 2jo7A9 ARG 83 HD3 0.04 0.04 0.00 -0.04 3.22 3.26 2jo7A9 GLU 84 H 0.04 0.77 -0.03 -0.55 8.60 8.84 2jo7A9 GLU 84 HA 0.04 -0.07 0.39 -0.75 4.29 3.91 2jo7A9 GLU 84 HB2 0.03 0.15 0.17 -0.04 2.09 2.40 2jo7A9 GLU 84 HB3 0.03 0.14 0.16 -0.04 1.99 2.29 2jo7A9 GLU 84 HG2 0.03 -0.04 -0.03 -0.04 2.34 2.26 2jo7A9 GLU 84 HG3 0.03 -0.07 0.06 -0.04 2.34 2.32 2jo7A9 ALA 85 H 0.05 0.67 -0.18 -0.55 8.40 8.39 2jo7A9 ALA 85 HA 0.05 -0.01 0.43 -0.75 4.34 4.06 2jo7A9 ALA 85 HB3 0.03 0.07 0.15 -0.04 1.41 1.61 2jo7A9 PHE 86 H 0.15 0.54 -0.20 -0.55 8.34 8.28 2jo7A9 PHE 86 HA -0.03 -0.04 0.66 -0.75 4.62 4.46 2jo7A9 PHE 86 HB2 -0.08 0.02 0.09 -0.04 3.15 3.13 2jo7A9 PHE 86 HB3 -0.00 0.14 0.12 -0.04 3.06 3.28 2jo7A9 PHE 86 HD2 0.01 0.02 0.06 -0.04 7.28 7.33 2jo7A9 PHE 86 HE2 0.13 -0.01 -0.07 -0.04 7.38 7.39 2jo7A9 PHE 86 HZ 0.18 -0.02 0.03 -0.04 7.32 7.47 2jo7A9 LEU 87 H 0.08 0.59 -0.07 -0.55 8.37 8.42 2jo7A9 LEU 87 HA -0.06 -0.00 0.49 -0.75 4.35 4.02 2jo7A9 LEU 87 HB2 0.03 0.09 0.10 -0.04 1.64 1.82 2jo7A9 LEU 87 HB3 0.04 0.10 0.14 -0.04 1.64 1.88 2jo7A9 LEU 87 HG 0.05 -0.03 0.03 -0.04 1.64 1.65 2jo7A9 LEU 87 HD13 0.05 -0.03 -0.15 -0.04 0.93 0.76 2jo7A9 LEU 87 HD23 0.04 0.00 -0.07 -0.04 0.89 0.82 2jo7A9 SER 88 H 0.05 0.68 -0.11 -0.55 8.46 8.53 2jo7A9 SER 88 HA 0.03 -0.02 0.46 -0.75 4.49 4.21 2jo7A9 SER 88 HB2 0.04 0.02 0.11 -0.04 3.95 4.07 2jo7A9 SER 88 HB3 0.05 0.14 0.17 -0.04 3.93 4.25 2jo7A9 GLU 89 H 0.08 0.66 -0.07 -0.55 8.60 8.72 2jo7A9 GLU 89 HA 0.06 0.02 0.35 -0.75 4.29 3.97 2jo7A9 GLU 89 HB2 0.14 0.11 0.16 -0.04 2.09 2.46 2jo7A9 GLU 89 HB3 0.30 0.05 0.25 -0.04 1.99 2.55 2jo7A9 GLU 89 HG2 0.18 0.01 -0.13 -0.04 2.34 2.35 2jo7A9 GLU 89 HG3 0.13 0.03 0.01 -0.04 2.34 2.46 2jo7A9 ILE 90 H -0.04 0.61 -0.19 -0.55 8.25 8.08 2jo7A9 ILE 90 HA -0.04 0.03 0.38 -0.75 4.18 3.80 2jo7A9 ILE 90 HB -0.08 0.10 0.21 -0.04 1.89 2.07 2jo7A9 ILE 90 HG12 -0.08 -0.05 0.01 -0.04 1.49 1.33 2jo7A9 ILE 90 HG13 -0.62 0.05 0.04 -0.04 1.21 0.64 2jo7A9 ILE 90 HG23 0.13 -0.03 -0.05 -0.04 0.93 0.94 2jo7A9 ILE 90 HD13 -0.64 -0.04 -0.11 -0.04 0.88 0.05 2jo7A9 ILE 91 H 0.01 0.56 -0.12 -0.55 8.25 8.15 2jo7A9 ILE 91 HA 0.02 0.03 0.46 -0.75 4.18 3.93 2jo7A9 ILE 91 HB 0.02 0.10 0.21 -0.04 1.89 2.17 2jo7A9 ILE 91 HG12 0.02 -0.02 -0.07 -0.04 1.49 1.39 2jo7A9 ILE 91 HG13 0.02 0.08 0.04 -0.04 1.21 1.30 2jo7A9 ILE 91 HG23 0.02 -0.02 -0.07 -0.04 0.93 0.82 2jo7A9 ILE 91 HD13 0.02 -0.04 -0.06 -0.04 0.88 0.77 2jo7A9 LYS 92 H 0.01 0.70 -0.02 -0.55 8.42 8.56 2jo7A9 LYS 92 HA 0.00 0.03 0.47 -0.75 4.32 4.07 2jo7A9 LYS 92 HB2 0.02 -0.01 0.09 -0.04 1.87 1.92 2jo7A9 LYS 92 HB3 0.02 0.04 0.06 -0.04 1.79 1.87 2jo7A9 LYS 92 HG2 0.01 -0.01 0.06 -0.04 1.46 1.48 2jo7A9 LYS 92 HG3 0.01 -0.03 0.09 -0.04 1.46 1.48 2jo7A9 LYS 92 HD2 0.02 -0.02 -0.01 -0.04 1.69 1.64 2jo7A9 LYS 92 HD3 0.02 0.01 -0.02 -0.04 1.68 1.65 2jo7A9 LYS 92 HE2 0.01 -0.00 0.01 -0.04 2.99 2.97 2jo7A9 LYS 92 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 2jo7A9 SER 93 H -0.04 0.35 -0.54 -0.55 8.46 7.68 2jo7A9 SER 93 HA -0.08 0.09 0.77 -0.75 4.49 4.51 2jo7A9 SER 93 HB2 -0.02 -0.01 -0.10 -0.04 3.95 3.78 2jo7A9 SER 93 HB3 -0.09 0.01 0.10 -0.04 3.93 3.91 2jo7A9 ASP 94 H -0.07 0.25 -0.21 -0.55 8.40 7.82 2jo7A9 ASP 94 HA -0.11 0.05 0.45 -0.75 4.63 4.26 2jo7A9 ASP 94 HB2 0.09 -0.06 0.25 -0.04 2.71 2.95 2jo7A9 ASP 94 HB3 0.02 0.18 0.20 -0.04 2.70 3.06 2jo7A9 GLY 95 H -0.29 0.32 -0.99 -0.55 8.43 6.93 2jo7A9 GLY 95 HA2 -0.05 0.08 0.40 -0.51 4.01 3.94 2jo7A9 GLY 95 HA3 -0.14 0.01 0.29 -0.51 4.01 3.66 2jo7A9 PRO 96 HA -0.33 0.09 0.29 -0.51 4.44 3.98 2jo7A9 PRO 96 HB2 -0.02 0.04 0.11 -0.04 2.28 2.36 2jo7A9 PRO 96 HB3 0.02 0.00 0.11 -0.04 2.02 2.12 2jo7A9 PRO 96 HG2 -0.07 0.08 0.03 -0.04 2.03 2.03 2jo7A9 PRO 96 HG3 -0.02 0.01 0.07 -0.04 2.03 2.05 2jo7A9 PRO 96 HD2 -0.10 0.08 0.18 -0.04 3.68 3.80 2jo7A9 PRO 96 HD3 -0.03 0.12 0.16 -0.04 3.65 3.86 2jo7A9 PHE 97 H -0.40 0.08 -0.72 -0.55 8.34 6.74 2jo7A9 PHE 97 HA -0.10 0.03 0.19 -0.75 4.62 3.99 2jo7A9 PHE 97 HB2 -0.43 0.11 -0.24 -0.04 3.15 2.55 2jo7A9 PHE 97 HB3 0.04 -0.22 0.11 -0.04 3.06 2.95 2jo7A9 PHE 97 HD2 -0.01 0.01 -0.08 -0.04 7.28 7.17 2jo7A9 PHE 97 HE2 0.01 0.07 -0.16 -0.04 7.38 7.26 2jo7A9 PHE 97 HZ -0.06 0.00 -0.09 -0.04 7.32 7.13 2jo7A9 THR 98 H 0.22 0.19 0.16 -0.55 8.28 8.30 2jo7A9 THR 98 HA -1.12 0.14 0.41 -0.75 4.39 3.07 2jo7A9 THR 98 HB -0.24 -0.10 0.00 -0.04 4.32 3.94 2jo7A9 THR 98 HG23 -0.26 0.08 0.09 -0.04 1.22 1.09 2jo7A9 ILE 99 H -0.95 0.26 0.17 -0.55 8.25 7.18 2jo7A9 ILE 99 HA 0.15 0.03 0.24 -0.75 4.18 3.85 2jo7A9 ILE 99 HB 0.05 -0.01 0.21 -0.04 1.89 2.10 2jo7A9 ILE 99 HG12 0.15 0.01 0.15 -0.04 1.49 1.76 2jo7A9 ILE 99 HG13 0.33 -0.04 0.07 -0.04 1.21 1.52 2jo7A9 ILE 99 HG23 0.02 0.04 -0.02 -0.04 0.93 0.92 2jo7A9 ILE 99 HD13 0.19 0.01 -0.03 -0.04 0.88 1.00 2jo7A9 LEU 100 H -0.02 -0.01 -0.61 -0.55 8.37 7.18 2jo7A9 LEU 100 HA 0.15 0.25 0.61 -0.75 4.35 4.60 2jo7A9 LEU 100 HB2 -0.09 -0.01 -0.04 -0.04 1.64 1.46 2jo7A9 LEU 100 HB3 -0.08 -0.05 0.06 -0.04 1.64 1.53 2jo7A9 LEU 100 HG -0.39 0.03 0.02 -0.04 1.64 1.26 2jo7A9 LEU 100 HD13 -0.36 0.02 -0.00 -0.04 0.93 0.55 2jo7A9 LEU 100 HD23 -0.33 0.04 -0.05 -0.04 0.89 0.51 2jo7A9 GLN 101 H 0.08 0.01 0.03 -0.55 8.47 8.04 2jo7A9 GLN 101 HA 0.37 0.11 0.45 -0.75 4.36 4.53 2jo7A9 GLN 101 HB2 0.19 -0.01 0.15 -0.04 2.15 2.44 2jo7A9 GLN 101 HB3 0.42 0.02 0.05 -0.04 2.02 2.47 2jo7A9 GLN 101 HG2 0.16 0.05 0.00 -0.04 2.40 2.56 2jo7A9 GLN 101 HG3 0.39 0.02 0.04 -0.04 2.39 2.81 2jo7A9 GLN 101 HE21 -0.03 -0.01 -0.01 -0.04 6.97 6.87 2jo7A9 GLN 101 HE22 -0.08 0.08 -0.02 -0.04 7.69 7.63 2jo7A9 LEU 102 H 0.19 0.27 -0.36 -0.55 8.37 7.92 2jo7A9 LEU 102 HA 0.13 0.07 0.48 -0.75 4.35 4.28 2jo7A9 LEU 102 HB2 0.18 0.05 0.01 -0.04 1.64 1.84 2jo7A9 LEU 102 HB3 0.14 0.10 0.01 -0.04 1.64 1.86 2jo7A9 LEU 102 HG 0.13 0.03 -0.05 -0.04 1.64 1.72 2jo7A9 LEU 102 HD13 0.08 -0.01 -0.08 -0.04 0.93 0.88 2jo7A9 LEU 102 HD23 -0.02 0.00 -0.04 -0.04 0.89 0.79 2jo7A9 VAL 103 H 0.18 0.34 -0.16 -0.55 8.24 8.05 2jo7A9 VAL 103 HA 0.09 -0.01 0.47 -0.75 4.13 3.92 2jo7A9 VAL 103 HB 0.03 0.01 0.09 -0.04 2.12 2.22 2jo7A9 VAL 103 HG13 0.23 0.07 0.03 -0.04 0.97 1.26 2jo7A9 VAL 103 HG23 -0.42 0.02 0.06 -0.04 0.95 0.56 2jo7A9 GLY 104 H 0.30 -0.04 -1.10 -0.55 8.43 7.04 2jo7A9 GLY 104 HA2 0.41 0.11 0.44 -0.51 4.01 4.46 2jo7A9 GLY 104 HA3 0.53 0.06 0.29 -0.51 4.01 4.38 2jo7A9 TYR 105 H 0.30 0.63 0.06 -0.55 8.29 8.73 2jo7A9 TYR 105 HA -0.14 0.01 0.37 -0.75 4.56 4.04 2jo7A9 TYR 105 HB2 -0.05 0.02 0.11 -0.04 3.06 3.10 2jo7A9 TYR 105 HB3 -0.02 0.17 0.25 -0.04 2.98 3.33 2jo7A9 TYR 105 HD2 -0.05 0.04 -0.02 -0.04 7.15 7.08 2jo7A9 TYR 105 HE2 -0.02 -0.02 -0.01 -0.04 6.85 6.75 2jo7A9 LEU 106 H 0.00 0.42 -0.28 -0.55 8.37 7.97 2jo7A9 LEU 106 HA -0.54 -0.02 0.43 -0.75 4.35 3.47 2jo7A9 LEU 106 HB2 -0.13 -0.06 0.11 -0.04 1.64 1.52 2jo7A9 LEU 106 HB3 -0.14 -0.02 0.06 -0.04 1.64 1.50 2jo7A9 LEU 106 HG 0.04 0.16 0.05 -0.04 1.64 1.85 2jo7A9 LEU 106 HD13 -0.04 -0.01 -0.04 -0.04 0.93 0.80 2jo7A9 LEU 106 HD23 0.02 0.02 -0.02 -0.04 0.89 0.87 2jo7A9 ARG 107 H 0.14 0.42 -0.43 -0.55 8.46 8.04 2jo7A9 ARG 107 HA 0.14 -0.04 0.45 -0.75 4.34 4.13 2jo7A9 ARG 107 HB2 0.17 0.15 0.12 -0.04 1.90 2.30 2jo7A9 ARG 107 HB3 0.18 0.17 0.17 -0.04 1.80 2.28 2jo7A9 ARG 107 HG2 -0.03 -0.08 -0.19 -0.04 1.67 1.32 2jo7A9 ARG 107 HG3 -0.32 -0.03 -0.01 -0.04 1.67 1.27 2jo7A9 ARG 107 HD2 0.01 0.06 -0.06 -0.04 3.22 3.19 2jo7A9 ARG 107 HD3 0.06 -0.03 -0.08 -0.04 3.22 3.12 2jo7A9 VAL 108 H 0.04 0.41 -0.24 -0.55 8.24 7.89 2jo7A9 VAL 108 HA 0.06 0.04 0.46 -0.75 4.13 3.94 2jo7A9 VAL 108 HB -0.06 0.15 0.15 -0.04 2.12 2.32 2jo7A9 VAL 108 HG13 0.03 -0.04 -0.07 -0.04 0.97 0.85 2jo7A9 VAL 108 HG23 0.11 0.05 0.02 -0.04 0.95 1.09 2jo7A9 VAL 109 H -0.14 0.28 -0.21 -0.55 8.24 7.62 2jo7A9 VAL 109 HA -0.01 0.05 0.63 -0.75 4.13 4.05 2jo7A9 VAL 109 HB -0.08 -0.08 0.07 -0.04 2.12 1.99 2jo7A9 VAL 109 HG13 -0.19 0.03 0.07 -0.04 0.97 0.84 2jo7A9 VAL 109 HG23 -0.01 -0.01 -0.04 -0.04 0.95 0.85 2jo7A9 ASP 110 H 0.01 0.74 0.08 -0.55 8.40 8.68 2jo7A9 ASP 110 HA 0.05 -0.02 0.21 -0.75 4.63 4.11 2jo7A9 ASP 110 HB2 0.13 0.13 0.11 -0.04 2.71 3.04 2jo7A9 ASP 110 HB3 0.21 0.04 0.03 -0.04 2.70 2.94 2jo7A9 THR 111 H 0.07 0.54 -0.28 -0.55 8.28 8.06 2jo7A9 THR 111 HA 0.18 0.09 0.66 -0.75 4.39 4.57 2jo7A9 THR 111 HB 0.06 -0.05 0.03 -0.04 4.32 4.32 2jo7A9 THR 111 HG23 -0.01 0.00 -0.00 -0.04 1.22 1.17 2jo7A9 ASP 112 H 0.05 0.33 -0.16 -0.55 8.40 8.07 2jo7A9 ASP 112 HA 0.05 0.01 0.44 -0.75 4.63 4.38 2jo7A9 ASP 112 HB2 0.03 0.14 0.21 -0.04 2.71 3.05 2jo7A9 ASP 112 HB3 0.03 0.03 0.18 -0.04 2.70 2.89 2jo7A9 LEU 113 H 0.05 0.46 -0.36 -0.55 8.37 7.97 2jo7A9 LEU 113 HA 0.05 -0.06 0.23 -0.75 4.35 3.81 2jo7A9 LEU 113 HB2 0.01 -0.02 0.02 -0.04 1.64 1.62 2jo7A9 LEU 113 HB3 0.02 0.26 -0.02 -0.04 1.64 1.86 2jo7A9 LEU 113 HG -0.06 0.02 -0.14 -0.04 1.64 1.41 2jo7A9 LEU 113 HD13 -0.06 -0.03 0.00 -0.04 0.93 0.80 2jo7A9 LEU 113 HD23 -0.09 -0.01 -0.04 -0.04 0.89 0.71 2jo7A9 LEU 114 H 0.09 0.34 -0.63 -0.55 8.37 7.62 2jo7A9 LEU 114 HA 0.16 0.09 0.53 -0.75 4.35 4.37 2jo7A9 LEU 114 HB2 0.11 0.13 0.04 -0.04 1.64 1.88 2jo7A9 LEU 114 HB3 0.09 -0.05 0.11 -0.04 1.64 1.76 2jo7A9 LEU 114 HG 0.09 0.08 0.00 -0.04 1.64 1.78 2jo7A9 LEU 114 HD13 0.25 -0.01 0.03 -0.04 0.93 1.15 2jo7A9 LEU 114 HD23 0.03 -0.02 -0.10 -0.04 0.89 0.76 2jo7A9 LEU 115 H 0.07 0.44 -0.41 -0.55 8.37 7.93 2jo7A9 LEU 115 HA 0.01 0.12 0.80 -0.75 4.35 4.53 2jo7A9 LEU 115 HB2 0.04 0.00 0.15 -0.04 1.64 1.79 2jo7A9 LEU 115 HB3 0.03 -0.06 0.00 -0.04 1.64 1.57 2jo7A9 LEU 115 HG 0.05 0.01 -0.38 -0.04 1.64 1.28 2jo7A9 LEU 115 HD13 0.04 -0.02 -0.07 -0.04 0.93 0.84 2jo7A9 LEU 115 HD23 0.02 0.02 -0.02 -0.04 0.89 0.88 2jo7A9 LYS 116 H 0.05 0.50 0.20 -0.55 8.42 8.61 2jo7A9 LYS 116 HA 0.04 0.06 0.62 -0.75 4.32 4.28 2jo7A9 LYS 116 HB2 0.03 0.08 -0.16 -0.04 1.87 1.78 2jo7A9 LYS 116 HB3 0.03 -0.07 0.04 -0.04 1.79 1.75 2jo7A9 LYS 116 HG2 0.02 -0.07 -0.02 -0.04 1.46 1.35 2jo7A9 LYS 116 HG3 0.03 0.15 -0.16 -0.04 1.46 1.44 2jo7A9 LYS 116 HD2 0.03 -0.05 0.12 -0.04 1.69 1.74 2jo7A9 LYS 116 HD3 0.02 0.03 0.07 -0.04 1.68 1.76 2jo7A9 LYS 116 HE2 0.02 -0.05 0.01 -0.04 2.99 2.93 2jo7A9 LYS 116 HE3 0.02 0.05 0.03 -0.04 2.99 3.05 2jo7A9 VAL 117 H 0.04 0.13 0.09 -0.55 8.24 7.95 2jo7A9 VAL 117 HA 0.02 0.07 0.52 -0.75 4.13 3.99 2jo7A9 VAL 117 HB 0.01 -0.03 -0.02 -0.04 2.12 2.04 2jo7A9 VAL 117 HG13 0.01 0.03 0.02 -0.04 0.97 0.99 2jo7A9 VAL 117 HG23 0.02 0.00 -0.00 -0.04 0.95 0.93 2jo7A9 ASP 118 H 0.02 0.26 0.20 -0.55 8.40 8.33 2jo7A9 ASP 118 HA 0.02 0.14 0.64 -0.75 4.63 4.67 2jo7A9 ASP 118 HB2 0.03 0.26 -0.13 -0.04 2.71 2.83 2jo7A9 ASP 118 HB3 0.03 0.03 0.03 -0.04 2.70 2.74 2jo7A9 SER 119 H 0.02 0.16 0.17 -0.55 8.46 8.27 2jo7A9 SER 119 HA 0.03 0.14 0.62 -0.75 4.49 4.53 2jo7A9 SER 119 HB2 0.02 0.04 0.16 -0.04 3.95 4.13 2jo7A9 SER 119 HB3 0.01 0.10 -0.12 -0.04 3.93 3.88 2jo7A9 THR 120 H 0.03 -0.07 0.13 -0.55 8.28 7.82 2jo7A9 THR 120 HA 0.02 0.28 0.89 -0.75 4.39 4.82 2jo7A9 THR 120 HB 0.02 -0.05 0.15 -0.04 4.32 4.40 2jo7A9 THR 120 HG23 0.02 0.04 -0.05 -0.04 1.22 1.19 2jo7A9 LYS 121 H 0.03 0.08 0.19 -0.55 8.42 8.17 2jo7A9 LYS 121 HA 0.03 0.18 0.68 -0.75 4.32 4.47 2jo7A9 LYS 121 HB2 0.03 -0.02 0.14 -0.04 1.87 1.99 2jo7A9 LYS 121 HB3 0.04 0.10 0.03 -0.04 1.79 1.92 2jo7A9 LYS 121 HG2 0.03 -0.06 0.02 -0.04 1.46 1.40 2jo7A9 LYS 121 HG3 0.03 0.09 0.03 -0.04 1.46 1.56 2jo7A9 LYS 121 HD2 0.03 0.06 0.01 -0.04 1.69 1.74 2jo7A9 LYS 121 HD3 0.03 -0.03 0.05 -0.04 1.68 1.69 2jo7A9 LYS 121 HE2 0.02 -0.03 -0.03 -0.04 2.99 2.91 2jo7A9 LYS 121 HE3 0.02 0.04 -0.01 -0.04 2.99 3.00 2jo7A9 VAL 122 H 0.05 -0.04 -0.09 -0.55 8.24 7.61 2jo7A9 VAL 122 HA 0.17 0.17 0.43 -0.75 4.13 4.14 2jo7A9 VAL 122 HB 0.06 -0.07 -0.13 -0.04 2.12 1.94 2jo7A9 VAL 122 HG13 0.06 0.03 -0.10 -0.04 0.97 0.93 2jo7A9 VAL 122 HG23 0.03 0.03 -0.03 -0.04 0.95 0.93 2jo7A9 ASP 123 H 0.06 -0.07 -0.58 -0.55 8.40 7.26 2jo7A9 ASP 123 HA 0.06 0.04 0.41 -0.75 4.63 4.39 2jo7A9 ASP 123 HB2 0.03 0.03 -0.13 -0.04 2.71 2.60 2jo7A9 ASP 123 HB3 0.03 0.11 -0.03 -0.04 2.70 2.77 2jo7A9 GLU 124 H 0.03 0.56 -0.13 -0.55 8.60 8.52 2jo7A9 GLU 124 HA 0.01 0.05 0.39 -0.75 4.29 3.98 2jo7A9 GLU 124 HB2 0.02 0.05 0.16 -0.04 2.09 2.28 2jo7A9 GLU 124 HB3 0.03 0.02 0.21 -0.04 1.99 2.20 2jo7A9 GLU 124 HG2 0.02 0.04 -0.13 -0.04 2.34 2.22 2jo7A9 GLU 124 HG3 0.01 -0.01 0.05 -0.04 2.34 2.35 2jo7A9 ALA 125 H 0.05 0.55 -0.13 -0.55 8.40 8.32 2jo7A9 ALA 125 HA -0.01 0.11 0.52 -0.75 4.34 4.21 2jo7A9 ALA 125 HB3 0.11 0.01 0.11 -0.04 1.41 1.60 2jo7A9 GLY 126 H -0.03 0.42 -0.30 -0.55 8.43 7.98 2jo7A9 GLY 126 HA2 -1.11 0.00 0.43 -0.51 4.01 2.82 2jo7A9 GLY 126 HA3 -0.20 0.04 0.35 -0.51 4.01 3.69 2jo7A9 LYS 127 H -0.07 0.79 -0.08 -0.55 8.42 8.50 2jo7A9 LYS 127 HA -0.06 -0.09 0.44 -0.75 4.32 3.86 2jo7A9 LYS 127 HB2 -0.02 0.20 0.18 -0.04 1.87 2.19 2jo7A9 LYS 127 HB3 -0.01 -0.01 0.04 -0.04 1.79 1.76 2jo7A9 LYS 127 HG2 -0.02 -0.06 0.04 -0.04 1.46 1.38 2jo7A9 LYS 127 HG3 -0.02 -0.02 0.05 -0.04 1.46 1.42 2jo7A9 LYS 127 HD2 -0.00 0.00 -0.13 -0.04 1.69 1.52 2jo7A9 LYS 127 HD3 -0.00 0.02 -0.01 -0.04 1.68 1.64 2jo7A9 LYS 127 HE2 -0.00 -0.00 -0.01 -0.04 2.99 2.94 2jo7A9 LYS 127 HE3 -0.00 -0.06 -0.02 -0.04 2.99 2.87 2jo7A9 LYS 128 H -0.07 0.31 -0.52 -0.55 8.42 7.59 2jo7A9 LYS 128 HA 0.07 0.05 0.60 -0.75 4.32 4.29 2jo7A9 LYS 128 HB2 0.12 0.11 0.13 -0.04 1.87 2.19 2jo7A9 LYS 128 HB3 0.20 0.01 0.13 -0.04 1.79 2.09 2jo7A9 LYS 128 HG2 0.02 0.09 0.11 -0.04 1.46 1.64 2jo7A9 LYS 128 HG3 0.05 0.09 0.07 -0.04 1.46 1.63 2jo7A9 LYS 128 HD2 0.05 0.01 0.10 -0.04 1.69 1.82 2jo7A9 LYS 128 HD3 0.03 -0.09 -0.04 -0.04 1.68 1.54 2jo7A9 LYS 128 HE2 0.02 -0.07 0.03 -0.04 2.99 2.93 2jo7A9 LYS 128 HE3 0.02 0.22 0.15 -0.04 2.99 3.34 2jo7A9 VAL 129 H -0.25 0.32 -0.11 -0.55 8.24 7.65 2jo7A9 VAL 129 HA -0.53 0.09 0.47 -0.75 4.13 3.41 2jo7A9 VAL 129 HB -0.48 0.08 0.20 -0.04 2.12 1.88 2jo7A9 VAL 129 HG13 -0.28 -0.03 -0.07 -0.04 0.97 0.56 2jo7A9 VAL 129 HG23 -0.93 0.03 0.06 -0.04 0.95 0.07 2jo7A9 LYS 130 H -0.15 0.69 0.01 -0.55 8.42 8.42 2jo7A9 LYS 130 HA -0.09 -0.04 0.28 -0.75 4.32 3.71 2jo7A9 LYS 130 HB2 -0.08 -0.01 0.05 -0.04 1.87 1.78 2jo7A9 LYS 130 HB3 -0.05 0.13 0.12 -0.04 1.79 1.94 2jo7A9 LYS 130 HG2 -0.04 -0.05 -0.03 -0.04 1.46 1.30 2jo7A9 LYS 130 HG3 -0.04 0.03 -0.08 -0.04 1.46 1.33 2jo7A9 LYS 130 HD2 -0.06 -0.01 -0.02 -0.04 1.69 1.56 2jo7A9 LYS 130 HD3 -0.06 -0.03 -0.11 -0.04 1.68 1.44 2jo7A9 LYS 130 HE2 -0.04 -0.12 -0.34 -0.04 2.99 2.46 2jo7A9 LYS 130 HE3 -0.03 -0.23 -0.28 -0.04 2.99 2.41 2jo7A9 ALA 131 H -0.00 0.65 -0.20 -0.55 8.40 8.30 2jo7A9 ALA 131 HA 0.01 -0.06 0.46 -0.75 4.34 3.99 2jo7A9 ALA 131 HB3 0.05 0.04 0.14 -0.04 1.41 1.59 2jo7A9 TYR 132 H 0.18 0.47 -0.24 -0.55 8.29 8.14 2jo7A9 TYR 132 HA 0.08 0.04 0.48 -0.75 4.56 4.41 2jo7A9 TYR 132 HB2 0.33 0.27 0.07 -0.04 3.06 3.69 2jo7A9 TYR 132 HB3 0.14 0.08 0.20 -0.04 2.98 3.36 2jo7A9 TYR 132 HD2 0.06 -0.05 -0.04 -0.04 7.15 7.07 2jo7A9 TYR 132 HE2 0.12 -0.10 -0.07 -0.04 6.85 6.76 2jo7A9 LEU 133 H -0.19 0.45 -0.15 -0.55 8.37 7.94 2jo7A9 LEU 133 HA -0.58 0.02 0.26 -0.75 4.35 3.30 2jo7A9 LEU 133 HB2 -0.16 0.05 0.10 -0.04 1.64 1.59 2jo7A9 LEU 133 HB3 -0.19 0.01 -0.03 -0.04 1.64 1.39 2jo7A9 LEU 133 HG -0.22 0.20 -0.01 -0.04 1.64 1.56 2jo7A9 LEU 133 HD13 -0.10 -0.04 -0.09 -0.04 0.93 0.66 2jo7A9 LEU 133 HD23 -0.35 -0.01 -0.07 -0.04 0.89 0.42 2jo7A9 GLU 134 H -0.10 0.63 -0.11 -0.55 8.60 8.48 2jo7A9 GLU 134 HA -0.07 -0.04 0.14 -0.75 4.29 3.57 2jo7A9 GLU 134 HB2 -0.04 -0.04 0.00 -0.04 2.09 1.97 2jo7A9 GLU 134 HB3 -0.02 0.14 0.10 -0.04 1.99 2.17 2jo7A9 GLU 134 HG2 -0.02 0.06 -0.12 -0.04 2.34 2.23 2jo7A9 GLU 134 HG3 -0.03 -0.18 0.06 -0.04 2.34 2.16 2jo7A9 LYS 135 H -0.03 0.47 -0.37 -0.55 8.42 7.94 2jo7A9 LYS 135 HA 0.01 -0.01 0.45 -0.75 4.32 4.01 2jo7A9 LYS 135 HB2 0.06 0.04 0.13 -0.04 1.87 2.05 2jo7A9 LYS 135 HB3 0.11 0.12 0.18 -0.04 1.79 2.16 2jo7A9 LYS 135 HG2 0.09 -0.01 -0.01 -0.04 1.46 1.49 2jo7A9 LYS 135 HG3 0.08 -0.02 -0.12 -0.04 1.46 1.35 2jo7A9 LYS 135 HD2 0.03 -0.02 0.11 -0.04 1.69 1.77 2jo7A9 LYS 135 HD3 0.04 -0.01 0.03 -0.04 1.68 1.69 2jo7A9 LYS 135 HE2 0.04 0.01 -0.00 -0.04 2.99 2.99 2jo7A9 LYS 135 HE3 0.04 -0.01 0.01 -0.04 2.99 2.98 2jo7A9 ILE 136 H -0.10 0.58 -0.12 -0.55 8.25 8.06 2jo7A9 ILE 136 HA 0.01 0.06 0.58 -0.75 4.18 4.08 2jo7A9 ILE 136 HB 0.07 0.05 0.05 -0.04 1.89 2.02 2jo7A9 ILE 136 HG12 0.11 -0.02 0.02 -0.04 1.49 1.56 2jo7A9 ILE 136 HG13 -0.02 -0.07 0.09 -0.04 1.21 1.17 2jo7A9 ILE 136 HG23 -0.37 0.01 -0.07 -0.04 0.93 0.47 2jo7A9 ILE 136 HD13 0.09 -0.01 0.04 -0.04 0.88 0.95 2jo7A9 GLY 137 H -0.08 0.22 -0.31 -0.55 8.43 7.71 2jo7A9 GLY 137 HA2 -0.04 -0.03 0.41 -0.51 4.01 3.83 2jo7A9 GLY 137 HA3 -0.07 -0.02 0.34 -0.51 4.01 3.74 2jo7A9 ILE 138 H -0.05 0.35 0.17 -0.55 8.25 8.17 2jo7A9 ILE 138 HA -0.04 -0.03 0.43 -0.75 4.18 3.79 2jo7A9 ILE 138 HB -0.03 -0.04 -0.27 -0.04 1.89 1.51 2jo7A9 ILE 138 HG12 -0.02 -0.12 0.15 -0.04 1.49 1.46 2jo7A9 ILE 138 HG13 -0.02 0.05 0.10 -0.04 1.21 1.30 2jo7A9 ILE 138 HG23 -0.03 0.04 0.04 -0.04 0.93 0.94 2jo7A9 ILE 138 HD13 -0.02 -0.01 0.02 -0.04 0.88 0.84 2jo7A9 ARG 139 H -0.03 0.06 0.15 -0.55 8.46 8.09 2jo7A9 ARG 139 HA -0.05 0.08 0.55 -0.75 4.34 4.16 2jo7A9 ARG 139 HB2 -0.03 -0.03 0.08 -0.04 1.90 1.87 2jo7A9 ARG 139 HB3 -0.03 0.01 0.05 -0.04 1.80 1.79 2jo7A9 ARG 139 HG2 -0.02 -0.02 0.09 -0.04 1.67 1.68 2jo7A9 ARG 139 HG3 -0.02 0.04 -0.13 -0.04 1.67 1.52 2jo7A9 ARG 139 HD2 -0.02 0.01 -0.02 -0.04 3.22 3.14 2jo7A9 ARG 139 HD3 -0.02 0.00 0.00 -0.04 3.22 3.17 2jo7A9 GLY 140 H -0.03 0.10 0.10 -0.55 8.43 8.05 2jo7A9 GLY 140 HA2 -0.02 0.05 0.34 -0.51 4.01 3.86 2jo7A9 GLY 140 HA3 -0.03 0.11 0.44 -0.51 4.01 4.02 2jo7A9 ASP 141 H -0.03 0.10 0.09 -0.55 8.40 8.01 2jo7A9 ASP 141 HA -0.02 0.13 0.51 -0.75 4.63 4.50 2jo7A9 ASP 141 HB2 -0.04 0.02 0.01 -0.04 2.71 2.66 2jo7A9 ASP 141 HB3 -0.02 -0.11 0.11 -0.04 2.70 2.64 2jo7A9 SER 142 H -0.01 0.18 0.21 -0.55 8.46 8.29 2jo7A9 SER 142 HA -0.01 0.24 0.72 -0.75 4.49 4.67 2jo7A9 SER 142 HB2 -0.01 0.22 0.01 -0.04 3.95 4.13 2jo7A9 SER 142 HB3 -0.00 -0.05 0.12 -0.04 3.93 3.95 2jo7A9 VAL 143 H -0.00 0.28 0.12 -0.55 8.24 8.08 2jo7A9 VAL 143 HA 0.01 0.08 0.39 -0.75 4.13 3.86 2jo7A9 VAL 143 HB 0.04 0.03 0.07 -0.04 2.12 2.22 2jo7A9 VAL 143 HG13 0.13 0.02 -0.00 -0.04 0.97 1.07 2jo7A9 VAL 143 HG23 -0.04 0.02 -0.04 -0.04 0.95 0.85 2jo7A9 GLU 144 H 0.02 0.01 -0.41 -0.55 8.60 7.67 2jo7A9 GLU 144 HA 0.03 0.14 0.44 -0.75 4.29 4.15 2jo7A9 GLU 144 HB2 0.01 0.01 0.08 -0.04 2.09 2.15 2jo7A9 GLU 144 HB3 0.01 -0.01 0.05 -0.04 1.99 1.99 2jo7A9 GLU 144 HG2 -0.00 0.02 -0.07 -0.04 2.34 2.25 2jo7A9 GLU 144 HG3 0.01 0.03 0.04 -0.04 2.34 2.37 2jo7A9 ALA 145 H 0.00 -0.00 -0.15 -0.55 8.40 7.71 2jo7A9 ALA 145 HA -0.00 0.12 0.53 -0.75 4.34 4.24 2jo7A9 ALA 145 HB3 -0.00 -0.01 0.14 -0.04 1.41 1.49 2jo7A9 ALA 146 H 0.01 0.57 -0.04 -0.55 8.40 8.38 2jo7A9 ALA 146 HA 0.00 0.07 0.43 -0.75 4.34 4.09 2jo7A9 ALA 146 HB3 -0.00 0.01 0.02 -0.04 1.41 1.39 2jo7A9 LEU 147 H 0.04 0.50 -0.17 -0.55 8.37 8.19 2jo7A9 LEU 147 HA 0.05 0.04 0.32 -0.75 4.35 4.01 2jo7A9 LEU 147 HB2 0.02 -0.03 0.09 -0.04 1.64 1.68 2jo7A9 LEU 147 HB3 0.12 0.03 0.13 -0.04 1.64 1.87 2jo7A9 LEU 147 HG 0.02 0.13 0.19 -0.04 1.64 1.94 2jo7A9 LEU 147 HD13 -0.01 0.00 -0.15 -0.04 0.93 0.73 2jo7A9 LEU 147 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.81 2jo7A9 ASP 148 H 0.00 0.32 -0.25 -0.55 8.40 7.92 2jo7A9 ASP 148 HA -0.02 0.09 0.52 -0.75 4.63 4.47 2jo7A9 ASP 148 HB2 -0.01 0.04 0.13 -0.04 2.71 2.82 2jo7A9 ASP 148 HB3 -0.01 0.04 0.17 -0.04 2.70 2.86 2jo7A9 ASN 149 H 0.00 0.47 -0.05 -0.55 8.53 8.40 2jo7A9 ASN 149 HA 0.00 0.04 0.39 -0.75 4.76 4.44 2jo7A9 ASN 149 HB2 0.00 0.09 0.19 -0.04 2.88 3.13 2jo7A9 ASN 149 HB3 0.01 -0.02 -0.02 -0.04 2.79 2.72 2jo7A9 ASN 149 HD21 -0.00 0.40 0.15 -0.04 7.03 7.54 2jo7A9 ASN 149 HD22 -0.00 -0.05 0.03 -0.04 7.74 7.67 2jo7A9 LEU 150 H 0.01 0.64 -0.10 -0.55 8.37 8.37 2jo7A9 LEU 150 HA 0.04 0.02 0.44 -0.75 4.35 4.10 2jo7A9 LEU 150 HB2 0.04 0.10 0.07 -0.04 1.64 1.81 2jo7A9 LEU 150 HB3 0.07 -0.05 0.03 -0.04 1.64 1.65 2jo7A9 LEU 150 HG 0.03 -0.02 0.06 -0.04 1.64 1.67 2jo7A9 LEU 150 HD13 0.04 -0.03 -0.07 -0.04 0.93 0.83 2jo7A9 LEU 150 HD23 0.06 -0.01 -0.03 -0.04 0.89 0.88 2jo7A9 MET 151 H -0.02 0.35 -0.27 -0.55 8.47 7.98 2jo7A9 MET 151 HA -0.10 0.06 0.55 -0.75 4.52 4.28 2jo7A9 MET 151 HB2 -0.30 -0.01 0.14 -0.04 2.15 1.94 2jo7A9 MET 151 HB3 -0.14 0.02 0.17 -0.04 2.03 2.04 2jo7A9 MET 151 HG2 -0.06 0.14 0.26 -0.04 2.63 2.93 2jo7A9 MET 151 HG3 -0.10 0.11 0.02 -0.04 2.56 2.54 2jo7A9 MET 151 HE3 -0.04 -0.01 -0.00 -0.04 2.10 2.00 2jo7A9 ILE 152 H -0.02 0.40 -0.07 -0.55 8.25 8.01 2jo7A9 ILE 152 HA 0.01 0.27 0.51 -0.75 4.18 4.22 2jo7A9 ILE 152 HB -0.03 0.03 0.13 -0.04 1.89 1.97 2jo7A9 ILE 152 HG12 0.09 -0.06 -0.01 -0.04 1.49 1.47 2jo7A9 ILE 152 HG13 -0.05 0.07 0.07 -0.04 1.21 1.25 2jo7A9 ILE 152 HG23 0.01 0.01 0.06 -0.04 0.93 0.96 2jo7A9 ILE 152 HD13 -0.01 -0.03 0.00 -0.04 0.88 0.81 2jo7A9 LYS 153 H 0.03 0.57 -0.10 -0.55 8.42 8.37 2jo7A9 LYS 153 HA 0.06 -0.01 0.44 -0.75 4.32 4.05 2jo7A9 LYS 153 HB2 0.04 0.07 0.14 -0.04 1.87 2.09 2jo7A9 LYS 153 HB3 0.04 -0.05 0.04 -0.04 1.79 1.78 2jo7A9 LYS 153 HG2 0.03 -0.04 0.01 -0.04 1.46 1.42 2jo7A9 LYS 153 HG3 0.03 0.03 0.05 -0.04 1.46 1.53 2jo7A9 LYS 153 HD2 0.02 -0.04 -0.12 -0.04 1.69 1.51 2jo7A9 LYS 153 HD3 0.02 -0.02 -0.05 -0.04 1.68 1.60 2jo7A9 LYS 153 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.88 2jo7A9 LYS 153 HE3 0.01 0.01 -0.03 -0.04 2.99 2.94 2jo7A9 VAL 154 H 0.05 0.57 -0.11 -0.55 8.24 8.20 2jo7A9 VAL 154 HA 0.06 -0.03 0.51 -0.75 4.13 3.92 2jo7A9 VAL 154 HB 0.03 0.19 0.28 -0.04 2.12 2.58 2jo7A9 VAL 154 HG13 0.09 -0.00 -0.02 -0.04 0.97 1.00 2jo7A9 VAL 154 HG23 0.09 -0.01 0.13 -0.04 0.95 1.12 2jo7A9 TYR 155 H 0.13 0.49 -0.08 -0.55 8.29 8.28 2jo7A9 TYR 155 HA -0.01 0.04 0.36 -0.75 4.56 4.20 2jo7A9 TYR 155 HB2 -0.04 0.09 -0.08 -0.04 3.06 2.98 2jo7A9 TYR 155 HB3 -0.03 0.17 0.06 -0.04 2.98 3.14 2jo7A9 TYR 155 HD2 -0.01 0.12 -0.05 -0.04 7.15 7.17 2jo7A9 TYR 155 HE2 0.00 -0.03 -0.05 -0.04 6.85 6.74 2jo7A9 GLU 156 H 0.14 0.62 -0.16 -0.55 8.60 8.65 2jo7A9 GLU 156 HA -0.14 -0.02 0.43 -0.75 4.29 3.80 2jo7A9 GLU 156 HB2 0.05 0.10 0.14 -0.04 2.09 2.34 2jo7A9 GLU 156 HB3 0.01 -0.06 0.02 -0.04 1.99 1.93 2jo7A9 GLU 156 HG2 0.10 -0.06 0.00 -0.04 2.34 2.34 2jo7A9 GLU 156 HG3 0.21 0.17 0.01 -0.04 2.34 2.68 2jo7A9 ILE 157 H 0.01 0.55 -0.15 -0.55 8.25 8.11 2jo7A9 ILE 157 HA -0.01 0.02 0.55 -0.75 4.18 3.98 2jo7A9 ILE 157 HB 0.03 0.13 0.23 -0.04 1.89 2.24 2jo7A9 ILE 157 HG12 0.03 -0.05 0.04 -0.04 1.49 1.47 2jo7A9 ILE 157 HG13 0.03 0.11 0.08 -0.04 1.21 1.38 2jo7A9 ILE 157 HG23 0.02 -0.02 -0.01 -0.04 0.93 0.88 2jo7A9 ILE 157 HD13 0.06 -0.04 -0.04 -0.04 0.88 0.82 2jo7A9 THR 158 H -0.05 0.63 -0.04 -0.55 8.28 8.27 2jo7A9 THR 158 HA -0.03 -0.00 0.42 -0.75 4.39 4.02 2jo7A9 THR 158 HB -0.12 0.14 0.21 -0.04 4.32 4.51 2jo7A9 THR 158 HG23 -0.05 -0.03 -0.05 -0.04 1.22 1.05 2jo7A9 LYS 159 H -0.26 0.53 -0.13 -0.55 8.42 8.00 2jo7A9 LYS 159 HA -0.14 0.05 0.56 -0.75 4.32 4.03 2jo7A9 LYS 159 HB2 -0.27 0.02 0.11 -0.04 1.87 1.69 2jo7A9 LYS 159 HB3 -0.16 -0.07 0.09 -0.04 1.79 1.61 2jo7A9 LYS 159 HG2 -0.93 0.18 0.02 -0.04 1.46 0.69 2jo7A9 LYS 159 HG3 -0.62 -0.08 -0.02 -0.04 1.46 0.69 2jo7A9 LYS 159 HD2 -0.13 -0.05 0.01 -0.04 1.69 1.49 2jo7A9 LYS 159 HD3 -0.19 0.06 -0.07 -0.04 1.68 1.44 2jo7A9 LYS 159 HE2 -0.30 0.04 -0.04 -0.04 2.99 2.64 2jo7A9 LYS 159 HE3 -0.00 -0.05 -0.03 -0.04 2.99 2.86 2jo7A9 GLY 160 H -0.08 0.27 -0.56 -0.55 8.43 7.52 2jo7A9 GLY 160 HA2 -0.03 0.06 0.34 -0.51 4.01 3.87 2jo7A9 GLY 160 HA3 -0.03 -0.04 0.40 -0.51 4.01 3.83 2jo7A9 THR 161 H -0.05 0.44 -0.08 -0.55 8.28 8.05 2jo7A9 THR 161 HA -0.02 0.04 0.38 -0.75 4.39 4.04 2jo7A9 THR 161 HB -0.00 -0.05 -0.04 -0.04 4.32 4.18 2jo7A9 THR 161 HG23 0.01 -0.01 -0.05 -0.04 1.22 1.13 2jo7A9 VAL 162 H -0.00 0.22 0.20 -0.55 8.24 8.10 2jo7A9 VAL 162 HA 0.00 0.08 0.66 -0.75 4.13 4.12 2jo7A9 VAL 162 HB -0.00 -0.02 0.00 -0.04 2.12 2.06 2jo7A9 VAL 162 HG13 0.00 -0.02 -0.10 -0.04 0.97 0.80 2jo7A9 VAL 162 HG23 -0.00 0.06 -0.23 -0.04 0.95 0.74 2jo7A9 GLU 163 H 0.00 0.26 0.14 -0.55 8.60 8.46 2jo7A9 GLU 163 HA 0.00 0.11 0.68 -0.75 4.29 4.32 2jo7A9 GLU 163 HB2 0.01 0.00 -0.03 -0.04 2.09 2.03 2jo7A9 GLU 163 HB3 0.00 0.02 0.07 -0.04 1.99 2.04 2jo7A9 GLU 163 HG2 0.01 0.08 -0.00 -0.04 2.34 2.38 2jo7A9 GLU 163 HG3 0.01 -0.06 -0.42 -0.04 2.34 1.83 2jo7A9 SER 164 H 0.00 0.10 0.12 -0.55 8.46 8.14 2jo7A9 SER 164 HA 0.00 0.04 0.43 -0.75 4.49 4.21 2jo7A9 SER 164 HB2 0.00 0.00 0.12 -0.04 3.95 4.03 2jo7A9 SER 164 HB3 0.00 -0.01 0.08 -0.04 3.93 3.97 2jo7A9 SER 165 H 0.00 0.19 0.24 -0.55 8.46 8.34 2jo7A9 SER 165 HA 0.00 0.13 0.76 -0.75 4.49 4.62 2jo7A9 SER 165 HB2 0.00 0.11 -0.20 -0.04 3.95 3.82 2jo7A9 SER 165 HB3 0.00 -0.02 -0.01 -0.04 3.93 3.85 2jo7A9 ALA 166 H -0.00 0.31 0.16 -0.55 8.40 8.32 2jo7A9 ALA 166 HA -0.00 0.10 0.61 -0.75 4.34 4.29 2jo7A9 ALA 166 HB3 -0.00 0.02 -0.07 -0.04 1.41 1.32 2jo7A9 GLN 167 H -0.00 0.13 0.14 -0.55 8.47 8.19 2jo7A9 GLN 167 HA -0.00 0.01 0.35 -0.75 4.36 3.96 2jo7A9 GLN 167 HB2 -0.00 0.09 -0.05 -0.04 2.15 2.15 2jo7A9 GLN 167 HB3 -0.00 0.02 0.16 -0.04 2.02 2.15 2jo7A9 GLN 167 HG2 -0.00 0.01 0.07 -0.04 2.40 2.44 2jo7A9 GLN 167 HG3 -0.00 -0.06 -0.02 -0.04 2.39 2.27 2jo7A9 GLN 167 HE21 -0.00 -0.01 -0.02 -0.04 6.97 6.90 2jo7A9 GLN 167 HE22 -0.00 0.01 -0.01 -0.04 7.69 7.65 2jo7A9 GLY 168 H -0.00 0.15 -0.04 -0.55 8.43 7.99 2jo7A9 GLY 168 HA2 -0.00 0.07 0.43 -0.51 4.01 3.99 2jo7A9 GLY 168 HA3 -0.00 0.10 0.28 -0.51 4.01 3.87 2jo7A9 THR 169 H -0.01 0.29 0.17 -0.55 8.28 8.19 2jo7A9 THR 169 HA -0.00 0.13 0.69 -0.75 4.39 4.45 2jo7A9 THR 169 HB -0.00 -0.01 -0.09 -0.04 4.32 4.18 2jo7A9 THR 169 HG23 -0.00 0.02 -0.01 -0.04 1.22 1.19 2jo7A9 ASP 170 H -0.00 0.25 0.16 -0.55 8.40 8.26 2jo7A9 ASP 170 HA -0.01 0.14 0.77 -0.75 4.63 4.77 2jo7A9 ASP 170 HB2 -0.01 -0.00 0.01 -0.04 2.71 2.67 2jo7A9 ASP 170 HB3 -0.01 0.02 -0.01 -0.04 2.70 2.66 2jo7A9 SER 171 H -0.01 0.17 0.15 -0.55 8.46 8.22 2jo7A9 SER 171 HA -0.01 0.11 0.53 -0.75 4.49 4.37 2jo7A9 SER 171 HB2 -0.01 0.13 0.16 -0.04 3.95 4.19 2jo7A9 SER 171 HB3 -0.01 -0.06 0.16 -0.04 3.93 3.97 2jo7A9 GLU 172 H -0.00 0.19 0.22 -0.55 8.60 8.46 2jo7A9 GLU 172 HA 0.00 0.13 0.35 -0.75 4.29 4.01 2jo7A9 GLU 172 HB2 0.00 0.05 0.19 -0.04 2.09 2.29 2jo7A9 GLU 172 HB3 0.00 0.00 0.13 -0.04 1.99 2.08 2jo7A9 GLU 172 HG2 0.00 0.04 0.03 -0.04 2.34 2.37 2jo7A9 GLU 172 HG3 0.01 -0.02 0.03 -0.04 2.34 2.32 2jo7A9 GLU 173 H -0.00 0.05 -0.12 -0.55 8.60 7.99 2jo7A9 GLU 173 HA 0.01 0.13 0.55 -0.75 4.29 4.21 2jo7A9 GLU 173 HB2 0.01 0.09 0.07 -0.04 2.09 2.22 2jo7A9 GLU 173 HB3 0.00 0.03 0.11 -0.04 1.99 2.09 2jo7A9 GLU 173 HG2 -0.00 -0.13 0.08 -0.04 2.34 2.25 2jo7A9 GLU 173 HG3 -0.01 0.05 0.01 -0.04 2.34 2.35 2jo7A9 LEU 174 H -0.01 0.04 -0.12 -0.55 8.37 7.73 2jo7A9 LEU 174 HA -0.03 0.11 0.39 -0.75 4.35 4.06 2jo7A9 LEU 174 HB2 -0.03 0.03 0.14 -0.04 1.64 1.74 2jo7A9 LEU 174 HB3 -0.02 -0.01 0.14 -0.04 1.64 1.71 2jo7A9 LEU 174 HG -0.04 0.03 0.05 -0.04 1.64 1.64 2jo7A9 LEU 174 HD13 -0.03 -0.01 -0.14 -0.04 0.93 0.70 2jo7A9 LEU 174 HD23 -0.07 0.02 0.05 -0.04 0.89 0.84 2jo7A9 LYS 175 H -0.01 0.53 -0.26 -0.55 8.42 8.13 2jo7A9 LYS 175 HA -0.00 0.04 0.42 -0.75 4.32 4.02 2jo7A9 LYS 175 HB2 -0.00 0.07 -0.02 -0.04 1.87 1.87 2jo7A9 LYS 175 HB3 0.00 0.06 0.08 -0.04 1.79 1.89 2jo7A9 LYS 175 HG2 0.01 -0.03 -0.05 -0.04 1.46 1.35 2jo7A9 LYS 175 HG3 0.00 -0.01 -0.01 -0.04 1.46 1.41 2jo7A9 LYS 175 HD2 0.00 0.01 -0.03 -0.04 1.69 1.63 2jo7A9 LYS 175 HD3 0.00 0.00 -0.04 -0.04 1.68 1.61 2jo7A9 LYS 175 HE2 0.01 0.03 -0.07 -0.04 2.99 2.92 2jo7A9 LYS 175 HE3 0.01 0.00 -0.05 -0.04 2.99 2.90 2jo7A9 THR 176 H 0.01 0.59 -0.09 -0.55 8.28 8.24 2jo7A9 THR 176 HA 0.02 -0.00 0.46 -0.75 4.39 4.12 2jo7A9 THR 176 HB 0.02 0.08 0.23 -0.04 4.32 4.61 2jo7A9 THR 176 HG23 0.03 -0.02 0.00 -0.04 1.22 1.19 2jo7A9 LEU 177 H 0.00 0.66 -0.11 -0.55 8.37 8.38 2jo7A9 LEU 177 HA 0.06 0.01 0.42 -0.75 4.35 4.09 2jo7A9 LEU 177 HB2 -0.01 0.02 0.11 -0.04 1.64 1.72 2jo7A9 LEU 177 HB3 -0.06 0.11 0.18 -0.04 1.64 1.83 2jo7A9 LEU 177 HG -0.37 -0.03 -0.13 -0.04 1.64 1.07 2jo7A9 LEU 177 HD13 0.09 -0.01 0.06 -0.04 0.93 1.03 2jo7A9 LEU 177 HD23 -0.07 0.01 -0.00 -0.04 0.89 0.79 2jo7A9 LEU 178 H -0.02 0.53 -0.13 -0.55 8.37 8.21 2jo7A9 LEU 178 HA 0.02 -0.00 0.55 -0.75 4.35 4.17 2jo7A9 LEU 178 HB2 -0.03 0.02 0.12 -0.04 1.64 1.71 2jo7A9 LEU 178 HB3 0.01 0.11 0.17 -0.04 1.64 1.89 2jo7A9 LEU 178 HG 0.04 0.00 -0.11 -0.04 1.64 1.53 2jo7A9 LEU 178 HD13 0.05 -0.02 0.04 -0.04 0.93 0.96 2jo7A9 LEU 178 HD23 0.01 -0.00 -0.02 -0.04 0.89 0.83 2jo7A9 LEU 179 H 0.04 0.60 -0.09 -0.55 8.37 8.38 2jo7A9 LEU 179 HA 0.06 0.03 0.57 -0.75 4.35 4.25 2jo7A9 LEU 179 HB2 0.03 0.03 0.11 -0.04 1.64 1.77 2jo7A9 LEU 179 HB3 0.04 0.11 0.20 -0.04 1.64 1.95 2jo7A9 LEU 179 HG 0.04 -0.02 -0.11 -0.04 1.64 1.51 2jo7A9 LEU 179 HD13 0.03 -0.01 0.05 -0.04 0.93 0.95 2jo7A9 LEU 179 HD23 0.02 -0.01 0.00 -0.04 0.89 0.87 2jo7A9 LYS 180 H 0.10 0.67 -0.04 -0.55 8.42 8.59 2jo7A9 LYS 180 HA 0.08 -0.00 0.47 -0.75 4.32 4.12 2jo7A9 LYS 180 HB2 0.20 0.13 0.25 -0.04 1.87 2.41 2jo7A9 LYS 180 HB3 0.16 -0.04 0.08 -0.04 1.79 1.95 2jo7A9 LYS 180 HG2 0.06 -0.05 0.06 -0.04 1.46 1.49 2jo7A9 LYS 180 HG3 0.07 0.12 0.08 -0.04 1.46 1.68 2jo7A9 LYS 180 HD2 0.08 -0.00 -0.04 -0.04 1.69 1.69 2jo7A9 LYS 180 HD3 0.08 -0.01 0.02 -0.04 1.68 1.73 2jo7A9 LYS 180 HE2 0.04 -0.01 0.00 -0.04 2.99 2.98 2jo7A9 LYS 180 HE3 0.04 -0.01 -0.02 -0.04 2.99 2.96 2jo7A9 PHE 181 H 0.42 0.73 -0.02 -0.55 8.34 8.91 2jo7A9 PHE 181 HA 0.04 -0.10 0.49 -0.75 4.62 4.30 2jo7A9 PHE 181 HB2 0.05 0.15 0.26 -0.04 3.15 3.57 2jo7A9 PHE 181 HB3 0.06 -0.04 0.10 -0.04 3.06 3.15 2jo7A9 PHE 181 HD2 0.08 0.03 0.03 -0.04 7.28 7.37 2jo7A9 PHE 181 HE2 0.13 0.03 -0.09 -0.04 7.38 7.40 2jo7A9 PHE 181 HZ 0.02 0.34 -0.19 -0.04 7.32 7.45 2jo7A9 SER 182 H 0.15 0.46 -0.24 -0.55 8.46 8.29 2jo7A9 SER 182 HA 0.08 0.02 0.49 -0.75 4.49 4.32 2jo7A9 SER 182 HB2 0.06 0.05 0.21 -0.04 3.95 4.23 2jo7A9 SER 182 HB3 0.05 -0.02 0.08 -0.04 3.93 4.00 2jo7A9 GLU 183 H 0.06 0.69 -0.04 -0.55 8.60 8.77 2jo7A9 GLU 183 HA 0.02 0.02 0.49 -0.75 4.29 4.06 2jo7A9 GLU 183 HB2 0.03 0.04 0.12 -0.04 2.09 2.25 2jo7A9 GLU 183 HB3 0.03 0.08 0.17 -0.04 1.99 2.23 2jo7A9 GLU 183 HG2 0.01 -0.01 0.00 -0.04 2.34 2.31 2jo7A9 GLU 183 HG3 0.00 -0.02 -0.07 -0.04 2.34 2.21 2jo7A9 ASP 184 H 0.00 0.53 -0.13 -0.55 8.40 8.25 2jo7A9 ASP 184 HA -0.04 0.03 0.49 -0.75 4.63 4.35 2jo7A9 ASP 184 HB2 -0.10 0.08 0.15 -0.04 2.71 2.79 2jo7A9 ASP 184 HB3 -0.13 0.08 0.22 -0.04 2.70 2.82 2jo7A9 LEU 185 H -0.01 0.45 -0.10 -0.55 8.37 8.16 2jo7A9 LEU 185 HA -0.01 0.01 0.44 -0.75 4.35 4.02 2jo7A9 LEU 185 HB2 0.04 -0.04 0.12 -0.04 1.64 1.71 2jo7A9 LEU 185 HB3 0.03 0.18 0.21 -0.04 1.64 2.02 2jo7A9 LEU 185 HG 0.07 -0.03 0.02 -0.04 1.64 1.66 2jo7A9 LEU 185 HD13 0.06 0.02 0.06 -0.04 0.93 1.04 2jo7A9 LEU 185 HD23 0.03 0.00 -0.23 -0.04 0.89 0.65 2jo7A9 LYS 186 H 0.01 0.46 -0.19 -0.55 8.42 8.14 2jo7A9 LYS 186 HA 0.01 0.04 0.40 -0.75 4.32 4.01 2jo7A9 LYS 186 HB2 0.01 0.09 0.13 -0.04 1.87 2.06 2jo7A9 LYS 186 HB3 0.01 0.04 0.18 -0.04 1.79 1.97 2jo7A9 LYS 186 HG2 0.00 -0.05 -0.13 -0.04 1.46 1.25 2jo7A9 LYS 186 HG3 0.01 0.00 0.05 -0.04 1.46 1.47 2jo7A9 LYS 186 HD2 0.01 0.03 0.00 -0.04 1.69 1.69 2jo7A9 LYS 186 HD3 0.01 -0.02 -0.00 -0.04 1.68 1.62 2jo7A9 LYS 186 HE2 0.00 -0.03 -0.02 -0.04 2.99 2.89 2jo7A9 LYS 186 HE3 0.00 0.02 -0.01 -0.04 2.99 2.96 2jo7A9 ALA 187 H -0.01 0.72 -0.07 -0.55 8.40 8.50 2jo7A9 ALA 187 HA -0.01 -0.02 0.34 -0.75 4.34 3.90 2jo7A9 ALA 187 HB3 -0.02 0.01 0.13 -0.04 1.41 1.48 2jo7A9 GLU 188 H -0.03 0.52 -0.16 -0.55 8.60 8.38 2jo7A9 GLU 188 HA 0.01 0.03 0.58 -0.75 4.29 4.16 2jo7A9 GLU 188 HB2 -0.09 -0.02 0.11 -0.04 2.09 2.05 2jo7A9 GLU 188 HB3 -0.09 0.07 0.13 -0.04 1.99 2.05 2jo7A9 GLU 188 HG2 -0.29 0.01 -0.04 -0.04 2.34 1.98 2jo7A9 GLU 188 HG3 -0.11 0.04 -0.15 -0.04 2.34 2.08 2jo7A9 GLN 189 H 0.00 0.62 0.00 -0.55 8.47 8.55 2jo7A9 GLN 189 HA 0.06 0.06 0.34 -0.75 4.36 4.07 2jo7A9 GLN 189 HB2 0.04 0.12 0.14 -0.04 2.15 2.42 2jo7A9 GLN 189 HB3 0.03 0.01 0.12 -0.04 2.02 2.14 2jo7A9 GLN 189 HG2 0.04 -0.06 0.00 -0.04 2.40 2.35 2jo7A9 GLN 189 HG3 0.07 0.01 0.05 -0.04 2.39 2.48 2jo7A9 GLN 189 HE21 0.02 -0.03 -0.04 -0.04 6.97 6.87 2jo7A9 GLN 189 HE22 0.00 0.08 0.02 -0.04 7.69 7.75 2jo7A9 GLU 190 H 0.01 0.78 -0.11 -0.55 8.60 8.74 2jo7A9 GLU 190 HA 0.01 -0.02 0.40 -0.75 4.29 3.92 2jo7A9 GLU 190 HB2 0.00 0.07 0.09 -0.04 2.09 2.21 2jo7A9 GLU 190 HB3 -0.00 0.12 0.13 -0.04 1.99 2.20 2jo7A9 GLU 190 HG2 -0.01 -0.05 -0.14 -0.04 2.34 2.09 2jo7A9 GLU 190 HG3 -0.00 -0.06 0.01 -0.04 2.34 2.25 2jo7A9 LEU 191 H 0.01 0.44 -0.20 -0.55 8.37 8.07 2jo7A9 LEU 191 HA -0.05 -0.03 0.44 -0.75 4.35 3.95 2jo7A9 LEU 191 HB2 -0.00 0.14 0.22 -0.04 1.64 1.96 2jo7A9 LEU 191 HB3 -0.10 -0.04 0.06 -0.04 1.64 1.51 2jo7A9 LEU 191 HG -0.02 0.07 0.13 -0.04 1.64 1.77 2jo7A9 LEU 191 HD13 -0.03 -0.02 0.00 -0.04 0.93 0.84 2jo7A9 LEU 191 HD23 -0.05 -0.03 0.04 -0.04 0.89 0.81 2jo7A9 HIS 192 H 0.09 0.54 -0.17 -0.55 8.41 8.32 2jo7A9 HIS 192 HA -0.02 0.09 0.62 -0.75 4.63 4.57 2jo7A9 HIS 192 HB2 -0.02 0.07 0.06 -0.04 3.26 3.33 2jo7A9 HIS 192 HB3 0.00 0.07 0.03 -0.04 3.20 3.26 2jo7A9 HIS 192 HD2 -0.02 0.25 -0.20 -0.04 6.97 6.96 2jo7A9 HIS 192 HE1 -0.07 -0.08 -0.10 -0.04 7.75 7.46 2jo7A9 SER 193 H 0.06 0.63 -0.01 -0.55 8.46 8.60 2jo7A9 SER 193 HA 0.03 0.02 0.64 -0.75 4.49 4.42 2jo7A9 SER 193 HB2 0.07 0.10 -0.25 -0.04 3.95 3.83 2jo7A9 SER 193 HB3 0.05 0.05 0.12 -0.04 3.93 4.10 2jo7A9 GLU 194 H 0.00 0.29 0.06 -0.55 8.60 8.40 2jo7A9 GLU 194 HA 0.00 0.04 0.65 -0.75 4.29 4.23 2jo7A9 GLU 194 HB2 0.01 0.10 -0.13 -0.04 2.09 2.03 2jo7A9 GLU 194 HB3 0.00 0.02 0.15 -0.04 1.99 2.11 2jo7A9 GLU 194 HG2 -0.00 -0.07 0.03 -0.04 2.34 2.26 2jo7A9 GLU 194 HG3 0.00 0.01 0.16 -0.04 2.34 2.47 2jo7A9 ALA 195 H -0.01 0.72 0.23 -0.55 8.40 8.79 2jo7A9 ALA 195 HA -0.01 0.04 0.40 -0.75 4.34 4.01 2jo7A9 ALA 195 HB3 -0.03 0.04 0.12 -0.04 1.41 1.49 2jo7A9 LYS 196 H -0.01 0.56 0.32 -0.55 8.42 8.74 2jo7A9 LYS 196 HA -0.01 -0.04 0.36 -0.75 4.32 3.87 2jo7A9 LYS 196 HB2 -0.02 0.14 -0.04 -0.04 1.87 1.91 2jo7A9 LYS 196 HB3 -0.01 -0.02 0.17 -0.04 1.79 1.89 2jo7A9 LYS 196 HG2 -0.01 -0.01 0.09 -0.04 1.46 1.49 2jo7A9 LYS 196 HG3 -0.01 -0.02 -0.02 -0.04 1.46 1.37 2jo7A9 LYS 196 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.65 2jo7A9 LYS 196 HD3 -0.01 -0.01 0.03 -0.04 1.68 1.65 2jo7A9 LYS 196 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.94 2jo7A9 LYS 196 HE3 -0.01 -0.01 0.02 -0.04 2.99 2.96 2jo7A9 GLY 197 H -0.01 -0.11 -0.11 -0.55 8.43 7.65 2jo7A9 GLY 197 HA2 -0.01 0.04 0.43 -0.51 4.01 3.96 2jo7A9 GLY 197 HA3 -0.02 0.25 0.17 -0.51 4.01 3.90 2jo7A9 GLY 198 H -0.00 0.02 -0.06 -0.55 8.43 7.84 2jo7A9 GLY 198 HA2 0.01 0.21 0.45 -0.51 4.01 4.17 2jo7A9 GLY 198 HA3 0.01 0.17 0.28 -0.51 4.01 3.95 2jo7A9 GLU 199 H -0.00 0.07 -0.29 -0.55 8.60 7.83 2jo7A9 GLU 199 HA 0.00 0.04 0.41 -0.75 4.29 4.00 2jo7A9 GLU 199 HB2 -0.00 0.05 -0.03 -0.04 2.09 2.07 2jo7A9 GLU 199 HB3 -0.00 0.01 0.04 -0.04 1.99 2.00 2jo7A9 GLU 199 HG2 -0.00 0.02 0.02 -0.04 2.34 2.34 2jo7A9 GLU 199 HG3 -0.00 -0.05 0.01 -0.04 2.34 2.26 2jo7A9 ALA 200 H -0.00 0.53 -0.39 -0.55 8.40 7.99 2jo7A9 ALA 200 HA -0.00 -0.03 0.45 -0.75 4.34 4.01 2jo7A9 ALA 200 HB3 -0.00 0.05 0.12 -0.04 1.41 1.54 2jo7A9 LEU 201 H 0.01 0.39 -0.17 -0.55 8.37 8.05 2jo7A9 LEU 201 HA 0.01 0.11 0.48 -0.75 4.35 4.20 2jo7A9 LEU 201 HB2 0.02 0.11 0.21 -0.04 1.64 1.95 2jo7A9 LEU 201 HB3 0.01 -0.01 0.21 -0.04 1.64 1.81 2jo7A9 LEU 201 HG 0.01 0.09 0.07 -0.04 1.64 1.76 2jo7A9 LEU 201 HD13 0.02 0.00 0.05 -0.04 0.93 0.96 2jo7A9 LEU 201 HD23 -0.01 -0.03 -0.07 -0.04 0.89 0.73 2jo7A9 LEU 202 H 0.00 0.26 -0.07 -0.55 8.37 8.02 2jo7A9 LEU 202 HA -0.01 0.04 0.33 -0.75 4.35 3.96 2jo7A9 LEU 202 HB2 -0.00 0.02 0.10 -0.04 1.64 1.72 2jo7A9 LEU 202 HB3 -0.00 0.09 0.16 -0.04 1.64 1.85 2jo7A9 LEU 202 HG -0.01 0.01 0.01 -0.04 1.64 1.62 2jo7A9 LEU 202 HD13 -0.00 -0.01 -0.13 -0.04 0.93 0.75 2jo7A9 LEU 202 HD23 -0.02 -0.02 0.03 -0.04 0.89 0.85 2jo7A9 SER 203 H 0.00 0.60 -0.10 -0.55 8.46 8.41 2jo7A9 SER 203 HA 0.00 -0.03 0.37 -0.75 4.49 4.08 2jo7A9 SER 203 HB2 0.00 0.04 0.09 -0.04 3.95 4.04 2jo7A9 SER 203 HB3 0.00 0.08 0.16 -0.04 3.93 4.13 2jo7A9 SER 204 H 0.00 0.68 -0.17 -0.55 8.46 8.42 2jo7A9 SER 204 HA 0.00 -0.03 0.40 -0.75 4.49 4.11 2jo7A9 SER 204 HB2 -0.00 0.05 0.14 -0.04 3.95 4.10 2jo7A9 SER 204 HB3 -0.00 0.13 0.18 -0.04 3.93 4.20 2jo7A9 MET 205 H -0.00 0.60 -0.12 -0.55 8.47 8.40 2jo7A9 MET 205 HA 0.00 0.03 0.40 -0.75 4.52 4.20 2jo7A9 MET 205 HB2 -0.01 0.07 0.08 -0.04 2.15 2.25 2jo7A9 MET 205 HB3 -0.01 0.08 0.18 -0.04 2.03 2.24 2jo7A9 MET 205 HG2 -0.04 -0.05 -0.19 -0.04 2.63 2.31 2jo7A9 MET 205 HG3 -0.02 -0.01 -0.01 -0.04 2.56 2.48 2jo7A9 MET 205 HE3 -0.04 -0.02 -0.11 -0.04 2.10 1.89 2jo7A9 LYS 206 H 0.00 0.68 -0.10 -0.55 8.42 8.45 2jo7A9 LYS 206 HA 0.02 -0.02 0.39 -0.75 4.32 3.96 2jo7A9 LYS 206 HB2 -0.00 0.09 0.13 -0.04 1.87 2.04 2jo7A9 LYS 206 HB3 0.01 0.06 0.14 -0.04 1.79 1.96 2jo7A9 LYS 206 HG2 -0.00 -0.05 0.05 -0.04 1.46 1.41 2jo7A9 LYS 206 HG3 0.00 -0.00 0.01 -0.04 1.46 1.43 2jo7A9 LYS 206 HD2 0.03 0.04 -0.08 -0.04 1.69 1.64 2jo7A9 LYS 206 HD3 0.07 -0.07 -0.07 -0.04 1.68 1.58 2jo7A9 LYS 206 HE2 0.04 -0.03 -0.00 -0.04 2.99 2.96 2jo7A9 LYS 206 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 2jo7A9 THR 207 H 0.02 0.64 -0.06 -0.55 8.28 8.33 2jo7A9 THR 207 HA 0.03 -0.01 0.33 -0.75 4.39 3.98 2jo7A9 THR 207 HB 0.01 0.08 0.14 -0.04 4.32 4.52 2jo7A9 THR 207 HG23 0.01 -0.02 -0.03 -0.04 1.22 1.13 2jo7A9 GLN 208 H 0.03 0.68 -0.08 -0.55 8.47 8.55 2jo7A9 GLN 208 HA 0.00 0.01 0.51 -0.75 4.36 4.12 2jo7A9 GLN 208 HB2 0.01 0.15 0.11 -0.04 2.15 2.38 2jo7A9 GLN 208 HB3 -0.00 -0.07 0.07 -0.04 2.02 1.97 2jo7A9 GLN 208 HG2 -0.00 -0.08 -0.00 -0.04 2.40 2.28 2jo7A9 GLN 208 HG3 0.00 0.09 0.09 -0.04 2.39 2.53 2jo7A9 GLN 208 HE21 -0.01 -0.01 -0.02 -0.04 6.97 6.90 2jo7A9 GLN 208 HE22 -0.02 -0.01 -0.06 -0.04 7.69 7.56 2jo7A9 HIS 209 H 0.12 0.50 -0.22 -0.55 8.41 8.26 2jo7A9 HIS 209 HA -0.03 -0.00 0.48 -0.75 4.63 4.32 2jo7A9 HIS 209 HB2 -0.01 -0.01 0.14 -0.04 3.26 3.34 2jo7A9 HIS 209 HB3 -0.00 0.17 0.24 -0.04 3.20 3.57 2jo7A9 HIS 209 HD2 -0.00 -0.04 0.03 -0.04 6.97 6.92 2jo7A9 HIS 209 HE1 0.01 -0.02 -0.05 -0.04 7.75 7.65 2jo7A9 ASP 210 H 0.13 0.66 0.01 -0.55 8.40 8.65 2jo7A9 ASP 210 HA -0.18 -0.02 0.25 -0.75 4.63 3.92 2jo7A9 ASP 210 HB2 0.04 0.12 0.15 -0.04 2.71 2.98 2jo7A9 ASP 210 HB3 0.01 -0.04 0.05 -0.04 2.70 2.67 2jo7A9 GLU 211 H -0.02 0.43 -0.27 -0.55 8.60 8.20 2jo7A9 GLU 211 HA -0.02 0.06 0.64 -0.75 4.29 4.21 2jo7A9 GLU 211 HB2 -0.01 0.06 0.11 -0.04 2.09 2.21 2jo7A9 GLU 211 HB3 -0.01 0.06 0.12 -0.04 1.99 2.12 2jo7A9 GLU 211 HG2 -0.01 -0.04 -0.07 -0.04 2.34 2.18 2jo7A9 GLU 211 HG3 -0.00 -0.02 0.05 -0.04 2.34 2.32 2jo7A9 LEU 212 H -0.06 0.63 -0.02 -0.55 8.37 8.37 2jo7A9 LEU 212 HA -0.05 -0.01 0.35 -0.75 4.35 3.89 2jo7A9 LEU 212 HB2 -0.08 0.12 0.16 -0.04 1.64 1.80 2jo7A9 LEU 212 HB3 -0.13 0.03 0.14 -0.04 1.64 1.63 2jo7A9 LEU 212 HG -0.23 0.03 0.01 -0.04 1.64 1.41 2jo7A9 LEU 212 HD13 -0.65 -0.03 -0.05 -0.04 0.93 0.15 2jo7A9 LEU 212 HD23 -0.09 -0.01 -0.04 -0.04 0.89 0.71 2jo7A9 LEU 213 H -0.18 0.76 -0.12 -0.55 8.37 8.29 2jo7A9 LEU 213 HA -0.06 -0.02 0.27 -0.75 4.35 3.79 2jo7A9 LEU 213 HB2 -0.46 0.00 0.07 -0.04 1.64 1.21 2jo7A9 LEU 213 HB3 -0.29 0.10 0.07 -0.04 1.64 1.48 2jo7A9 LEU 213 HG -0.06 0.01 -0.20 -0.04 1.64 1.35 2jo7A9 LEU 213 HD13 0.00 -0.02 -0.04 -0.04 0.93 0.83 2jo7A9 LEU 213 HD23 -0.14 -0.01 -0.03 -0.04 0.89 0.66 2jo7A9 LYS 214 H -0.06 0.36 -0.31 -0.55 8.42 7.86 2jo7A9 LYS 214 HA 0.00 0.01 0.43 -0.75 4.32 4.01 2jo7A9 LYS 214 HB2 -0.02 0.04 0.15 -0.04 1.87 2.00 2jo7A9 LYS 214 HB3 -0.01 0.15 0.18 -0.04 1.79 2.07 2jo7A9 LYS 214 HG2 0.00 -0.01 0.02 -0.04 1.46 1.44 2jo7A9 LYS 214 HG3 0.01 -0.01 -0.11 -0.04 1.46 1.30 2jo7A9 LYS 214 HD2 0.01 -0.04 0.08 -0.04 1.69 1.70 2jo7A9 LYS 214 HD3 0.00 -0.00 0.03 -0.04 1.68 1.67 2jo7A9 LYS 214 HE2 0.00 0.00 0.00 -0.04 2.99 2.96 2jo7A9 LYS 214 HE3 0.01 -0.00 -0.00 -0.04 2.99 2.95 2jo7A9 LYS 215 H 0.02 0.48 -0.16 -0.55 8.42 8.20 2jo7A9 LYS 215 HA 0.05 0.00 0.39 -0.75 4.32 4.00 2jo7A9 LYS 215 HB2 0.06 0.10 0.19 -0.04 1.87 2.18 2jo7A9 LYS 215 HB3 0.08 -0.05 0.04 -0.04 1.79 1.82 2jo7A9 LYS 215 HG2 0.03 -0.05 0.01 -0.04 1.46 1.41 2jo7A9 LYS 215 HG3 0.02 0.10 0.06 -0.04 1.46 1.59 2jo7A9 LYS 215 HD2 0.01 0.02 -0.13 -0.04 1.69 1.55 2jo7A9 LYS 215 HD3 0.03 -0.04 -0.02 -0.04 1.68 1.61 2jo7A9 LYS 215 HE2 0.02 -0.03 -0.02 -0.04 2.99 2.92 2jo7A9 LYS 215 HE3 0.01 0.01 -0.02 -0.04 2.99 2.94 2jo7A9 PHE 216 H 0.19 0.75 0.01 -0.55 8.34 8.74 2jo7A9 PHE 216 HA 0.01 0.06 0.37 -0.75 4.62 4.31 2jo7A9 PHE 216 HB2 -0.02 0.18 0.07 -0.04 3.15 3.33 2jo7A9 PHE 216 HB3 0.01 -0.06 -0.03 -0.04 3.06 2.94 2jo7A9 PHE 216 HD2 -0.00 -0.07 -0.05 -0.04 7.28 7.12 2jo7A9 PHE 216 HE2 -0.24 -0.00 -0.34 -0.04 7.38 6.75 2jo7A9 PHE 216 HZ -0.49 0.01 -0.03 -0.04 7.32 6.77 2jo7A9 ALA 217 H 0.11 0.45 -0.31 -0.55 8.40 8.10 2jo7A9 ALA 217 HA 0.04 0.01 0.59 -0.75 4.34 4.23 2jo7A9 ALA 217 HB3 0.04 -0.00 0.07 -0.04 1.41 1.48 2jo7A9 ALA 218 H 0.04 0.51 -0.07 -0.55 8.40 8.34 2jo7A9 ALA 218 HA 0.01 0.01 0.51 -0.75 4.34 4.12 2jo7A9 ALA 218 HB3 0.02 -0.00 0.12 -0.04 1.41 1.51 2jo7A9 LEU 219 H 0.01 0.38 -0.40 -0.55 8.37 7.82 2jo7A9 LEU 219 HA -0.02 0.09 0.74 -0.75 4.35 4.41 2jo7A9 LEU 219 HB2 -0.01 0.11 0.06 -0.04 1.64 1.76 2jo7A9 LEU 219 HB3 -0.03 -0.12 0.01 -0.04 1.64 1.45 2jo7A9 LEU 219 HG 0.01 -0.06 -0.16 -0.04 1.64 1.38 2jo7A9 LEU 219 HD13 -0.00 0.01 -0.06 -0.04 0.93 0.83 2jo7A9 LEU 219 HD23 0.03 -0.01 -0.11 -0.04 0.89 0.75 2jo7A9 THR 220 H -0.02 0.19 -0.50 -0.55 8.28 7.40 2jo7A9 THR 220 HA -0.04 -0.03 0.10 -0.75 4.39 3.67 2jo7A9 THR 220 HB -0.03 -0.06 0.00 -0.04 4.32 4.19 2jo7A9 THR 220 HG23 -0.01 0.02 0.05 -0.04 1.22 1.24 2jo7A9 PRO 221 HA -0.05 -0.02 0.35 -0.51 4.44 4.20 2jo7A9 PRO 221 HB2 -0.10 0.08 -0.12 -0.04 2.28 2.10 2jo7A9 PRO 221 HB3 -0.07 -0.02 0.08 -0.04 2.02 1.97 2jo7A9 PRO 221 HG2 -0.21 0.05 0.05 -0.04 2.03 1.88 2jo7A9 PRO 221 HG3 -0.13 0.02 0.08 -0.04 2.03 1.96 2jo7A9 PRO 221 HD2 -0.11 0.13 0.34 -0.04 3.68 4.00 2jo7A9 PRO 221 HD3 -0.08 0.02 0.22 -0.04 3.65 3.77 2jo7A9 THR 222 H -0.02 0.08 0.10 -0.55 8.28 7.89 2jo7A9 THR 222 HA 0.03 0.25 0.48 -0.75 4.39 4.41 2jo7A9 THR 222 HB 0.03 -0.04 0.16 -0.04 4.32 4.44 2jo7A9 THR 222 HG23 0.10 0.02 -0.08 -0.04 1.22 1.21 2jo7A9 PHE 223 H 0.05 0.36 0.26 -0.55 8.34 8.46 2jo7A9 PHE 223 HA -0.06 0.06 0.20 -0.75 4.62 4.07 2jo7A9 PHE 223 HB2 -0.48 0.09 0.17 -0.04 3.15 2.89 2jo7A9 PHE 223 HB3 0.22 -0.07 -0.02 -0.04 3.06 3.14 2jo7A9 PHE 223 HD2 -0.22 0.00 -0.04 -0.04 7.28 6.99 2jo7A9 PHE 223 HE2 -0.06 0.00 -0.07 -0.04 7.38 7.21 2jo7A9 PHE 223 HZ -0.03 0.06 0.01 -0.04 7.32 7.31 2jo7A9 LEU 224 H 0.29 0.12 -0.22 -0.55 8.37 8.02 2jo7A9 LEU 224 HA 0.16 0.15 0.72 -0.75 4.35 4.62 2jo7A9 LEU 224 HB2 0.20 0.01 -0.14 -0.04 1.64 1.67 2jo7A9 LEU 224 HB3 0.13 -0.16 -0.04 -0.04 1.64 1.53 2jo7A9 LEU 224 HG 0.34 0.01 -0.57 -0.04 1.64 1.39 2jo7A9 LEU 224 HD13 -0.00 0.01 -0.19 -0.04 0.93 0.70 2jo7A9 LEU 224 HD23 0.17 0.01 -0.02 -0.04 0.89 1.01 2jo7A9 THR 225 H 0.10 0.07 0.10 -0.55 8.28 8.01 2jo7A9 THR 225 HA 0.08 0.19 0.56 -0.75 4.39 4.47 2jo7A9 THR 225 HB 0.06 -0.06 0.16 -0.04 4.32 4.44 2jo7A9 THR 225 HG23 0.06 0.06 0.04 -0.04 1.22 1.34 2jo7A9 SER 226 H 0.08 0.18 0.15 -0.55 8.46 8.32 2jo7A9 SER 226 HA 0.18 0.16 0.41 -0.75 4.49 4.49 2jo7A9 SER 226 HB2 0.12 0.08 0.14 -0.04 3.95 4.24 2jo7A9 SER 226 HB3 0.10 -0.05 0.16 -0.04 3.93 4.10 2jo7A9 GLU 227 H 0.07 0.14 -0.00 -0.55 8.60 8.26 2jo7A9 GLU 227 HA 0.01 0.12 0.46 -0.75 4.29 4.13 2jo7A9 GLU 227 HB2 0.02 0.05 0.08 -0.04 2.09 2.19 2jo7A9 GLU 227 HB3 0.04 -0.00 0.03 -0.04 1.99 2.02 2jo7A9 GLU 227 HG2 0.03 -0.03 -0.09 -0.04 2.34 2.21 2jo7A9 GLU 227 HG3 -0.00 0.03 0.05 -0.04 2.34 2.37 2jo7A9 ASP 228 H 0.08 0.04 -0.34 -0.55 8.40 7.63 2jo7A9 ASP 228 HA 0.10 0.08 0.47 -0.75 4.63 4.52 2jo7A9 ASP 228 HB2 0.09 -0.08 0.07 -0.04 2.71 2.76 2jo7A9 ASP 228 HB3 0.10 0.08 0.01 -0.04 2.70 2.86 2jo7A9 ILE 229 H 0.10 0.41 -0.36 -0.55 8.25 7.85 2jo7A9 ILE 229 HA -0.00 0.08 0.55 -0.75 4.18 4.06 2jo7A9 ILE 229 HB 0.09 0.11 0.09 -0.04 1.89 2.14 2jo7A9 ILE 229 HG12 -0.13 -0.01 -0.09 -0.04 1.49 1.22 2jo7A9 ILE 229 HG13 0.07 -0.01 -0.17 -0.04 1.21 1.06 2jo7A9 ILE 229 HG23 -0.11 -0.01 -0.13 -0.04 0.93 0.63 2jo7A9 ILE 229 HD13 0.10 -0.02 -0.15 -0.04 0.88 0.78 2jo7A9 SER 230 H 0.14 0.28 -0.10 -0.55 8.46 8.24 2jo7A9 SER 230 HA 0.10 0.10 0.51 -0.75 4.49 4.45 2jo7A9 SER 230 HB2 -0.06 0.02 0.04 -0.04 3.95 3.90 2jo7A9 SER 230 HB3 -0.21 0.03 0.12 -0.04 3.93 3.83 2jo7A9 GLY 231 H 0.06 0.60 -0.01 -0.55 8.43 8.54 2jo7A9 GLY 231 HA2 0.04 0.03 0.22 -0.51 4.01 3.79 2jo7A9 GLY 231 HA3 0.08 0.00 0.26 -0.51 4.01 3.84 2jo7A9 TYR 232 H 0.20 0.28 -0.65 -0.55 8.29 7.56 2jo7A9 TYR 232 HA 0.27 -0.04 0.62 -0.75 4.56 4.66 2jo7A9 TYR 232 HB2 0.07 0.05 0.10 -0.04 3.06 3.24 2jo7A9 TYR 232 HB3 0.00 0.09 0.10 -0.04 2.98 3.13 2jo7A9 TYR 232 HD2 0.08 -0.00 -0.19 -0.04 7.15 6.99 2jo7A9 TYR 232 HE2 0.05 -0.02 -0.12 -0.04 6.85 6.72 2jo7A9 LEU 233 H 0.15 0.33 -0.15 -0.55 8.37 8.15 2jo7A9 LEU 233 HA 0.03 0.03 0.30 -0.75 4.35 3.95 2jo7A9 LEU 233 HB2 0.03 0.14 0.16 -0.04 1.64 1.93 2jo7A9 LEU 233 HB3 -0.00 -0.02 -0.06 -0.04 1.64 1.51 2jo7A9 LEU 233 HG 0.04 0.07 0.08 -0.04 1.64 1.78 2jo7A9 LEU 233 HD13 0.02 -0.04 -0.20 -0.04 0.93 0.66 2jo7A9 LEU 233 HD23 -0.00 0.00 -0.04 -0.04 0.89 0.81 2jo7A9 THR 234 H -0.02 0.34 -0.28 -0.55 8.28 7.77 2jo7A9 THR 234 HA -0.09 0.08 0.25 -0.75 4.39 3.88 2jo7A9 THR 234 HB -0.03 -0.03 -0.00 -0.04 4.32 4.22 2jo7A9 THR 234 HG23 -0.03 -0.03 -0.04 -0.04 1.22 1.07 2jo7A9 VAL 235 H -0.29 0.33 -0.36 -0.55 8.24 7.38 2jo7A9 VAL 235 HA -0.70 -0.03 0.29 -0.75 4.13 2.94 2jo7A9 VAL 235 HB -1.10 0.10 0.01 -0.04 2.12 1.09 2jo7A9 VAL 235 HG13 -0.43 0.01 -0.12 -0.04 0.97 0.38 2jo7A9 VAL 235 HG23 -1.26 -0.04 0.03 -0.04 0.95 -0.37 2jo7A9 PRO 236 HA -0.02 0.05 0.20 -0.51 4.44 4.17 2jo7A9 PRO 236 HB2 0.04 -0.09 0.10 -0.04 2.28 2.29 2jo7A9 PRO 236 HB3 0.03 0.07 0.02 -0.04 2.02 2.10 2jo7A9 PRO 236 HG2 0.06 -0.15 0.07 -0.04 2.03 1.97 2jo7A9 PRO 236 HG3 0.01 0.08 0.02 -0.04 2.03 2.10 2jo7A9 PRO 236 HD2 0.06 -0.07 0.09 -0.04 3.68 3.72 2jo7A9 PRO 236 HD3 -0.04 0.21 -0.00 -0.04 3.65 3.77 2jo7A9 GLU 237 H -0.01 0.20 0.11 -0.55 8.60 8.35 2jo7A9 GLU 237 HA 0.03 0.09 0.34 -0.75 4.29 4.00 2jo7A9 GLU 237 HB2 0.22 -0.01 -0.15 -0.04 2.09 2.12 2jo7A9 GLU 237 HB3 0.17 0.05 0.14 -0.04 1.99 2.31 2jo7A9 GLU 237 HG2 0.06 0.07 0.05 -0.04 2.34 2.48 2jo7A9 GLU 237 HG3 0.07 -0.10 -0.05 -0.04 2.34 2.21 2jo7A9 TYR 238 H -0.03 0.42 -0.19 -0.55 8.29 7.94 2jo7A9 TYR 238 HA -0.16 -0.09 0.25 -0.75 4.56 3.80 2jo7A9 TYR 238 HB2 -0.36 0.11 0.11 -0.04 3.06 2.88 2jo7A9 TYR 238 HB3 -0.51 -0.00 0.07 -0.04 2.98 2.50 2jo7A9 TYR 238 HD2 -0.43 -0.01 -0.03 -0.04 7.15 6.64 2jo7A9 TYR 238 HE2 0.01 0.02 -0.09 -0.04 6.85 6.75 2jo7A9 GLY 239 H -0.10 0.06 0.06 -0.55 8.43 7.90 2jo7A9 GLY 239 HA2 -0.25 -0.12 0.28 -0.51 4.01 3.41 2jo7A9 GLY 239 HA3 -0.16 0.31 0.65 -0.51 4.01 4.30 2jo7A9 ALA 240 H -0.16 0.18 -0.04 -0.55 8.40 7.84 2jo7A9 ALA 240 HA -1.50 0.07 0.31 -0.75 4.34 2.46 2jo7A9 ALA 240 HB3 -0.31 0.00 0.03 -0.04 1.41 1.10 2jo7A9 PRO 241 HA -0.14 0.03 0.36 -0.51 4.44 4.18 2jo7A9 PRO 241 HB2 -0.09 -0.01 -0.03 -0.04 2.28 2.11 2jo7A9 PRO 241 HB3 -0.06 0.03 0.06 -0.04 2.02 2.01 2jo7A9 PRO 241 HG2 -0.02 0.04 0.04 -0.04 2.03 2.05 2jo7A9 PRO 241 HG3 -0.09 0.05 0.08 -0.04 2.03 2.04 2jo7A9 PRO 241 HD2 -0.78 0.07 0.16 -0.04 3.68 3.08 2jo7A9 PRO 241 HD3 -1.09 0.19 0.18 -0.04 3.65 2.90 2jo7A9 MET 242 H -0.06 0.10 0.14 -0.55 8.47 8.10 2jo7A9 MET 242 HA -0.05 0.07 0.46 -0.75 4.52 4.25 2jo7A9 MET 242 HB2 -0.03 0.02 0.05 -0.04 2.15 2.14 2jo7A9 MET 242 HB3 -0.04 -0.01 0.05 -0.04 2.03 1.99 2jo7A9 MET 242 HG2 -0.05 0.00 0.08 -0.04 2.63 2.62 2jo7A9 MET 242 HG3 -0.04 0.01 0.03 -0.04 2.56 2.53 2jo7A9 MET 242 HE3 -0.06 0.01 0.05 -0.04 2.10 2.06 2jo7A9 ASN 243 H -0.03 0.16 0.05 -0.55 8.53 8.17 2jo7A9 ASN 243 HA -0.01 -0.00 0.19 -0.75 4.76 4.18 2jo7A9 ASN 243 HB2 -0.01 -0.03 -0.00 -0.04 2.88 2.79 2jo7A9 ASN 243 HB3 -0.01 0.12 -0.00 -0.04 2.79 2.85 2jo7A9 ASN 243 HD21 -0.00 0.02 0.02 -0.04 7.03 7.03 2jo7A9 ASN 243 HD22 0.00 -0.01 0.02 -0.04 7.74 7.71 2jo7A9 ALA 244 H -0.01 0.01 -0.42 -0.55 8.40 7.43 2jo7A9 ALA 244 HA 0.01 0.06 0.37 -0.75 4.34 4.02 2jo7A9 ALA 244 HB3 -0.01 0.06 -0.13 -0.04 1.41 1.29 2jo7A9 ALA 245 H -0.03 0.63 0.01 -0.55 8.40 8.46 2jo7A9 ALA 245 HA 0.03 0.09 0.53 -0.75 4.34 4.22 2jo7A9 ALA 245 HB3 -0.00 0.03 -0.00 -0.04 1.41 1.39 2jo7A9 LYS 246 H 0.06 0.37 0.15 -0.55 8.42 8.45 2jo7A9 LYS 246 HA 0.06 -0.00 0.14 -0.75 4.32 3.75 2jo7A9 LYS 246 HB2 0.08 0.04 0.09 -0.04 1.87 2.04 2jo7A9 LYS 246 HB3 0.10 -0.01 -0.02 -0.04 1.79 1.81 2jo7A9 LYS 246 HG2 0.05 -0.04 -0.04 -0.04 1.46 1.38 2jo7A9 LYS 246 HG3 0.04 0.17 -0.00 -0.04 1.46 1.63 2jo7A9 LYS 246 HD2 0.05 0.03 -0.06 -0.04 1.69 1.67 2jo7A9 LYS 246 HD3 0.06 -0.06 -0.11 -0.04 1.68 1.53 2jo7A9 LYS 246 HE2 0.04 -0.00 -0.06 -0.04 2.99 2.92 2jo7A9 LYS 246 HE3 0.03 0.08 -0.05 -0.04 2.99 3.01 2jo7A9 TRP 247 H 0.23 0.14 -0.38 -0.55 7.97 7.41 2jo7A9 TRP 247 HA -0.07 0.06 0.41 -0.75 4.62 4.27 2jo7A9 TRP 247 HB2 -0.17 0.21 0.20 -0.04 3.23 3.42 2jo7A9 TRP 247 HB3 -0.08 -0.05 0.07 -0.04 3.23 3.13 2jo7A9 TRP 247 HD1 -0.04 -0.02 -0.07 -0.04 7.22 7.05 2jo7A9 TRP 247 HE1 0.03 0.01 -0.08 -0.04 10.20 10.11 2jo7A9 TRP 247 HE3 -1.15 0.01 0.10 -0.04 7.59 6.51 2jo7A9 TRP 247 HZ2 -0.10 0.02 -0.10 -0.04 7.44 7.22 2jo7A9 TRP 247 HZ3 -0.80 0.02 0.00 -0.04 7.13 6.30 2jo7A9 TRP 247 HH2 -0.13 0.03 -0.01 -0.04 7.19 7.03 2jo7A9 LYS 248 H 0.06 0.31 -0.13 -0.55 8.42 8.11 2jo7A9 LYS 248 HA -0.52 0.08 0.31 -0.75 4.32 3.43 2jo7A9 LYS 248 HB2 -0.03 0.03 0.06 -0.04 1.87 1.88 2jo7A9 LYS 248 HB3 -0.08 -0.03 0.04 -0.04 1.79 1.69 2jo7A9 LYS 248 HG2 -0.09 0.02 0.01 -0.04 1.46 1.36 2jo7A9 LYS 248 HG3 -0.19 -0.03 0.10 -0.04 1.46 1.31 2jo7A9 LYS 248 HD2 -0.75 -0.01 -0.10 -0.04 1.69 0.79 2jo7A9 LYS 248 HD3 -0.04 0.02 -0.05 -0.04 1.68 1.57 2jo7A9 LYS 248 HE2 -0.06 -0.01 -0.03 -0.04 2.99 2.85 2jo7A9 LYS 248 HE3 -0.20 -0.03 -0.02 -0.04 2.99 2.70 2jo7A9 LYS 249 H -0.05 0.32 -0.84 -0.55 8.42 7.30 2jo7A9 LYS 249 HA -0.05 0.16 0.82 -0.75 4.32 4.51 2jo7A9 LYS 249 HB2 -0.01 -0.06 -0.12 -0.04 1.87 1.64 2jo7A9 LYS 249 HB3 0.02 0.03 0.04 -0.04 1.79 1.84 2jo7A9 LYS 249 HG2 0.01 0.00 -0.10 -0.04 1.46 1.34 2jo7A9 LYS 249 HG3 -0.01 0.02 0.06 -0.04 1.46 1.49 2jo7A9 LYS 249 HD2 0.00 -0.06 -0.07 -0.04 1.69 1.52 2jo7A9 LYS 249 HD3 0.02 0.00 -0.09 -0.04 1.68 1.57 2jo7A9 LYS 249 HE2 0.01 0.00 -0.04 -0.04 2.99 2.92 2jo7A9 LYS 249 HE3 0.00 0.01 -0.02 -0.04 2.99 2.94 2jo7A9 VAL 250 H 0.05 0.71 0.22 -0.55 8.24 8.67 2jo7A9 VAL 250 HA 0.08 0.01 0.45 -0.75 4.13 3.91 2jo7A9 VAL 250 HB 0.25 0.11 0.13 -0.04 2.12 2.56 2jo7A9 VAL 250 HG13 0.14 0.03 -0.07 -0.04 0.97 1.03 2jo7A9 VAL 250 HG23 0.11 -0.01 0.06 -0.04 0.95 1.07 2jo7A9 GLU 251 H -0.06 0.67 0.06 -0.55 8.60 8.72 2jo7A9 GLU 251 HA 0.14 0.06 0.43 -0.75 4.29 4.15 2jo7A9 GLU 251 HB2 -0.29 0.02 0.06 -0.04 2.09 1.83 2jo7A9 GLU 251 HB3 -0.59 0.06 0.11 -0.04 1.99 1.54 2jo7A9 GLU 251 HG2 -1.15 -0.01 -0.13 -0.04 2.34 1.01 2jo7A9 GLU 251 HG3 -0.39 -0.16 -0.05 -0.04 2.34 1.71 2jo7A9 GLY 252 H -0.08 0.16 -0.47 -0.55 8.43 7.50 2jo7A9 GLY 252 HA2 -0.04 0.06 0.38 -0.51 4.01 3.91 2jo7A9 GLY 252 HA3 -0.04 0.09 0.26 -0.51 4.01 3.81 2jo7A9 MET 253 H 0.03 0.39 -0.11 -0.55 8.47 8.24 2jo7A9 MET 253 HA 0.07 0.02 0.45 -0.75 4.52 4.30 2jo7A9 MET 253 HB2 0.06 -0.01 0.10 -0.04 2.15 2.26 2jo7A9 MET 253 HB3 0.10 0.09 0.16 -0.04 2.03 2.34 2jo7A9 MET 253 HG2 0.10 -0.03 0.01 -0.04 2.63 2.67 2jo7A9 MET 253 HG3 0.18 0.05 -0.11 -0.04 2.56 2.64 2jo7A9 MET 253 HE3 0.03 -0.01 -0.00 -0.04 2.10 2.08 2jo7A9 ILE 254 H 0.08 0.56 -0.19 -0.55 8.25 8.14 2jo7A9 ILE 254 HA 0.24 0.02 0.46 -0.75 4.18 4.15 2jo7A9 ILE 254 HB -0.00 0.06 0.16 -0.04 1.89 2.07 2jo7A9 ILE 254 HG12 -0.66 -0.02 -0.01 -0.04 1.49 0.76 2jo7A9 ILE 254 HG13 -0.10 0.03 -0.01 -0.04 1.21 1.09 2jo7A9 ILE 254 HG23 -0.14 0.00 -0.07 -0.04 0.93 0.67 2jo7A9 ILE 254 HD13 -0.58 -0.02 -0.08 -0.04 0.88 0.16 2jo7A9 HIS 255 H 0.15 0.56 -0.12 -0.55 8.41 8.45 2jo7A9 HIS 255 HA 0.03 0.04 0.41 -0.75 4.63 4.36 2jo7A9 HIS 255 HB2 -0.02 0.16 0.17 -0.04 3.26 3.53 2jo7A9 HIS 255 HB3 -0.01 -0.00 0.08 -0.04 3.20 3.22 2jo7A9 HIS 255 HD2 -0.03 -0.03 -0.05 -0.04 6.97 6.82 2jo7A9 HIS 255 HE1 -0.00 -0.06 -0.03 -0.04 7.75 7.61 2jo7A9 GLY 256 H 0.13 0.57 -0.13 -0.55 8.43 8.45 2jo7A9 GLY 256 HA2 0.08 0.01 0.28 -0.51 4.01 3.87 2jo7A9 GLY 256 HA3 0.06 0.02 0.30 -0.51 4.01 3.88 2jo7A9 LYS 257 H 0.13 0.64 -0.09 -0.55 8.42 8.55 2jo7A9 LYS 257 HA -0.02 -0.10 0.55 -0.75 4.32 4.00 2jo7A9 LYS 257 HB2 0.29 0.12 0.17 -0.04 1.87 2.41 2jo7A9 LYS 257 HB3 -0.25 -0.00 0.02 -0.04 1.79 1.52 2jo7A9 LYS 257 HG2 0.05 0.02 0.07 -0.04 1.46 1.55 2jo7A9 LYS 257 HG3 -0.08 0.00 0.02 -0.04 1.46 1.36 2jo7A9 LYS 257 HD2 -0.26 0.02 0.04 -0.04 1.69 1.46 2jo7A9 LYS 257 HD3 -0.08 -0.08 0.06 -0.04 1.68 1.53 2jo7A9 LYS 257 HE2 -0.03 -0.03 0.00 -0.04 2.99 2.89 2jo7A9 LYS 257 HE3 -0.10 0.05 0.02 -0.04 2.99 2.92 2jo7A9 LEU 258 H 0.12 0.48 -0.16 -0.55 8.37 8.26 2jo7A9 LEU 258 HA 0.04 0.06 0.37 -0.75 4.35 4.07 2jo7A9 LEU 258 HB2 0.07 0.02 0.12 -0.04 1.64 1.80 2jo7A9 LEU 258 HB3 -0.03 0.09 0.14 -0.04 1.64 1.80 2jo7A9 LEU 258 HG -0.03 -0.01 -0.07 -0.04 1.64 1.50 2jo7A9 LEU 258 HD13 0.02 -0.02 0.04 -0.04 0.93 0.93 2jo7A9 LEU 258 HD23 -0.08 -0.02 -0.00 -0.04 0.89 0.75 2jo7A9 GLU 259 H 0.04 0.47 -0.16 -0.55 8.60 8.40 2jo7A9 GLU 259 HA 0.01 0.03 0.53 -0.75 4.29 4.11 2jo7A9 GLU 259 HB2 0.06 0.07 0.09 -0.04 2.09 2.27 2jo7A9 GLU 259 HB3 0.04 -0.10 0.12 -0.04 1.99 2.01 2jo7A9 GLU 259 HG2 0.05 -0.05 0.02 -0.04 2.34 2.31 2jo7A9 GLU 259 HG3 0.05 0.09 0.02 -0.04 2.34 2.46 2jo7A9 SER 260 H 0.00 0.28 -0.69 -0.55 8.46 7.50 2jo7A9 SER 260 HA -0.01 0.06 0.82 -0.75 4.49 4.60 2jo7A9 SER 260 HB2 -0.01 -0.07 0.19 -0.04 3.95 4.02 2jo7A9 SER 260 HB3 -0.02 -0.11 0.04 -0.04 3.93 3.80 2jo7A9 SER 261 H -0.05 0.04 0.19 -0.55 8.46 8.09 2jo7A9 SER 261 HA -0.06 -0.07 0.41 -0.75 4.49 4.01 2jo7A9 SER 261 HB2 -0.16 0.08 0.07 -0.04 3.95 3.91 2jo7A9 SER 261 HB3 -0.12 -0.03 0.13 -0.04 3.93 3.87 2jo7A9 GLU 262 H -0.07 -0.00 0.18 -0.55 8.60 8.16 2jo7A9 GLU 262 HA -0.05 0.10 0.55 -0.75 4.29 4.14 2jo7A9 GLU 262 HB2 -0.04 -0.03 0.02 -0.04 2.09 2.00 2jo7A9 GLU 262 HB3 -0.04 0.01 0.12 -0.04 1.99 2.04 2jo7A9 GLU 262 HG2 -0.07 0.02 0.04 -0.04 2.34 2.29 2jo7A9 GLU 262 HG3 -0.05 -0.02 0.01 -0.04 2.34 2.24 2jo7A9 VAL 263 H -0.04 0.16 0.12 -0.55 8.24 7.92 2jo7A9 VAL 263 HA -0.08 0.19 0.76 -0.75 4.13 4.25 2jo7A9 VAL 263 HB -0.01 -0.03 0.08 -0.04 2.12 2.12 2jo7A9 VAL 263 HG13 0.02 0.01 -0.14 -0.04 0.97 0.82 2jo7A9 VAL 263 HG23 -0.05 0.07 -0.29 -0.04 0.95 0.65 2jo7A9 PRO 264 HA -0.02 0.07 0.54 -0.51 4.44 4.52 2jo7A9 PRO 264 HB2 -0.03 -0.21 0.04 -0.04 2.28 2.03 2jo7A9 PRO 264 HB3 -0.02 0.02 0.14 -0.04 2.02 2.11 2jo7A9 PRO 264 HG2 -0.05 0.35 0.12 -0.04 2.03 2.41 2jo7A9 PRO 264 HG3 -0.04 0.01 0.09 -0.04 2.03 2.05 2jo7A9 PRO 264 HD2 -0.06 0.17 0.22 -0.04 3.68 3.97 2jo7A9 PRO 264 HD3 -0.06 0.18 0.08 -0.04 3.65 3.81 2jo7A9 ALA 265 H -0.01 0.18 0.21 -0.55 8.40 8.24 2jo7A9 ALA 265 HA -0.00 0.13 0.36 -0.75 4.34 4.08 2jo7A9 ALA 265 HB3 -0.00 0.03 0.16 -0.04 1.41 1.55 2jo7A9 ASN 266 H -0.01 0.09 -0.14 -0.55 8.53 7.93 2jo7A9 ASN 266 HA 0.00 0.05 0.47 -0.75 4.76 4.53 2jo7A9 ASN 266 HB2 -0.01 0.05 0.08 -0.04 2.88 2.95 2jo7A9 ASN 266 HB3 0.00 0.07 0.05 -0.04 2.79 2.86 2jo7A9 ASN 266 HD21 -0.01 0.06 0.04 -0.04 7.03 7.08 2jo7A9 ASN 266 HD22 -0.00 0.02 0.03 -0.04 7.74 7.74 2jo7A9 LEU 267 H -0.02 0.12 -0.26 -0.55 8.37 7.66 2jo7A9 LEU 267 HA -0.06 0.07 0.56 -0.75 4.35 4.16 2jo7A9 LEU 267 HB2 -0.08 0.20 0.11 -0.04 1.64 1.83 2jo7A9 LEU 267 HB3 -0.05 0.03 0.11 -0.04 1.64 1.68 2jo7A9 LEU 267 HG -0.03 -0.08 -0.10 -0.04 1.64 1.38 2jo7A9 LEU 267 HD13 -0.45 0.01 0.11 -0.04 0.93 0.55 2jo7A9 LEU 267 HD23 -0.12 0.04 0.01 -0.04 0.89 0.78 2jo7A9 LYS 268 H -0.01 0.53 -0.17 -0.55 8.42 8.22 2jo7A9 LYS 268 HA 0.02 0.06 0.42 -0.75 4.32 4.08 2jo7A9 LYS 268 HB2 0.01 0.10 0.02 -0.04 1.87 1.96 2jo7A9 LYS 268 HB3 0.01 0.04 0.13 -0.04 1.79 1.93 2jo7A9 LYS 268 HG2 0.01 -0.07 -0.07 -0.04 1.46 1.29 2jo7A9 LYS 268 HG3 0.01 0.03 0.05 -0.04 1.46 1.52 2jo7A9 LYS 268 HD2 0.00 0.07 0.00 -0.04 1.69 1.73 2jo7A9 LYS 268 HD3 0.00 -0.06 0.01 -0.04 1.68 1.58 2jo7A9 LYS 268 HE2 0.00 -0.06 -0.01 -0.04 2.99 2.89 2jo7A9 LYS 268 HE3 -0.00 0.06 0.01 -0.04 2.99 3.01 2jo7A9 ALA 269 H 0.01 0.51 -0.14 -0.55 8.40 8.24 2jo7A9 ALA 269 HA 0.02 -0.01 0.49 -0.75 4.34 4.09 2jo7A9 ALA 269 HB3 0.02 0.03 0.14 -0.04 1.41 1.56 2jo7A9 LEU 270 H 0.04 0.60 -0.05 -0.55 8.37 8.41 2jo7A9 LEU 270 HA 0.11 -0.05 0.43 -0.75 4.35 4.09 2jo7A9 LEU 270 HB2 0.05 0.16 0.22 -0.04 1.64 2.03 2jo7A9 LEU 270 HB3 0.21 0.05 0.00 -0.04 1.64 1.86 2jo7A9 LEU 270 HG 0.21 0.08 -0.24 -0.04 1.64 1.66 2jo7A9 LEU 270 HD13 0.19 -0.04 0.02 -0.04 0.93 1.05 2jo7A9 LEU 270 HD23 0.07 -0.01 -0.02 -0.04 0.89 0.88 2jo7A9 VAL 271 H 0.08 0.67 -0.18 -0.55 8.24 8.27 2jo7A9 VAL 271 HA 0.20 -0.02 0.54 -0.75 4.13 4.09 2jo7A9 VAL 271 HB 0.02 0.15 0.19 -0.04 2.12 2.44 2jo7A9 VAL 271 HG13 -0.07 -0.01 -0.05 -0.04 0.97 0.80 2jo7A9 VAL 271 HG23 -0.09 0.03 0.02 -0.04 0.95 0.87 2jo7A9 ALA 272 H 0.04 0.47 -0.15 -0.55 8.40 8.22 2jo7A9 ALA 272 HA 0.04 0.04 0.51 -0.75 4.34 4.18 2jo7A9 ALA 272 HB3 0.03 0.02 0.14 -0.04 1.41 1.55 2jo7A9 GLU 273 H 0.05 0.66 -0.03 -0.55 8.60 8.73 2jo7A9 GLU 273 HA 0.02 -0.02 0.46 -0.75 4.29 3.99 2jo7A9 GLU 273 HB2 0.04 0.01 0.08 -0.04 2.09 2.18 2jo7A9 GLU 273 HB3 0.05 0.12 0.17 -0.04 1.99 2.29 2jo7A9 GLU 273 HG2 0.00 -0.01 -0.08 -0.04 2.34 2.22 2jo7A9 GLU 273 HG3 0.01 -0.04 0.05 -0.04 2.34 2.31 2jo7A9 LEU 274 H 0.01 0.78 -0.02 -0.55 8.37 8.60 2jo7A9 LEU 274 HA -0.10 -0.03 0.46 -0.75 4.35 3.93 2jo7A9 LEU 274 HB2 -0.54 -0.01 0.12 -0.04 1.64 1.16 2jo7A9 LEU 274 HB3 -0.20 0.17 0.20 -0.04 1.64 1.77 2jo7A9 LEU 274 HG -0.44 0.02 -0.22 -0.04 1.64 0.96 2jo7A9 LEU 274 HD13 -0.22 -0.03 0.03 -0.04 0.93 0.67 2jo7A9 LEU 274 HD23 -0.87 -0.01 -0.03 -0.04 0.89 -0.06 2jo7A9 ILE 275 H 0.04 0.54 -0.22 -0.55 8.25 8.07 2jo7A9 ILE 275 HA 0.34 0.02 0.51 -0.75 4.18 4.29 2jo7A9 ILE 275 HB 0.08 0.11 0.21 -0.04 1.89 2.26 2jo7A9 ILE 275 HG12 0.33 -0.05 0.04 -0.04 1.49 1.77 2jo7A9 ILE 275 HG13 0.11 0.05 0.06 -0.04 1.21 1.39 2jo7A9 ILE 275 HG23 0.13 -0.02 -0.06 -0.04 0.93 0.93 2jo7A9 ILE 275 HD13 0.07 -0.01 -0.05 -0.04 0.88 0.84 2jo7A9 GLU 276 H 0.04 0.66 -0.02 -0.55 8.60 8.73 2jo7A9 GLU 276 HA 0.01 0.02 0.38 -0.75 4.29 3.94 2jo7A9 GLU 276 HB2 0.02 0.04 0.09 -0.04 2.09 2.21 2jo7A9 GLU 276 HB3 0.01 0.05 0.15 -0.04 1.99 2.16 2jo7A9 GLU 276 HG2 -0.00 -0.02 -0.08 -0.04 2.34 2.19 2jo7A9 GLU 276 HG3 0.00 -0.02 0.04 -0.04 2.34 2.32 2jo7A9 LEU 277 H 0.01 0.71 -0.06 -0.55 8.37 8.48 2jo7A9 LEU 277 HA -0.02 -0.02 0.52 -0.75 4.35 4.08 2jo7A9 LEU 277 HB2 -0.02 0.10 0.15 -0.04 1.64 1.84 2jo7A9 LEU 277 HB3 -0.02 -0.05 0.07 -0.04 1.64 1.61 2jo7A9 LEU 277 HG -0.02 0.13 0.00 -0.04 1.64 1.72 2jo7A9 LEU 277 HD13 -0.02 -0.02 0.01 -0.04 0.93 0.86 2jo7A9 LEU 277 HD23 -0.01 -0.03 -0.02 -0.04 0.89 0.79 2jo7A9 ARG 278 H 0.02 0.46 -0.24 -0.55 8.46 8.15 2jo7A9 ARG 278 HA -0.11 0.25 0.61 -0.75 4.34 4.33 2jo7A9 ARG 278 HB2 0.00 -0.01 0.06 -0.04 1.90 1.91 2jo7A9 ARG 278 HB3 -0.05 0.14 0.16 -0.04 1.80 2.01 2jo7A9 ARG 278 HG2 -0.46 -0.08 -0.10 -0.04 1.67 0.99 2jo7A9 ARG 278 HG3 -0.52 0.15 0.03 -0.04 1.67 1.29 2jo7A9 ARG 278 HD2 -2.08 -0.07 0.00 -0.04 3.22 1.03 2jo7A9 ARG 278 HD3 -0.48 -0.01 0.00 -0.04 3.22 2.69 2jo7A9 GLU 279 H -0.05 0.44 -0.13 -0.55 8.60 8.31 2jo7A9 GLU 279 HA -0.14 0.02 0.40 -0.75 4.29 3.81 2jo7A9 GLU 279 HB2 -0.04 0.07 0.13 -0.04 2.09 2.21 2jo7A9 GLU 279 HB3 -0.03 0.07 0.14 -0.04 1.99 2.13 2jo7A9 GLU 279 HG2 -0.03 -0.04 -0.02 -0.04 2.34 2.21 2jo7A9 GLU 279 HG3 -0.06 -0.03 -0.05 -0.04 2.34 2.16 2jo7A9 GLN 280 H -0.04 0.62 -0.16 -0.55 8.47 8.34 2jo7A9 GLN 280 HA -0.04 -0.01 0.40 -0.75 4.36 3.96 2jo7A9 GLN 280 HB2 -0.02 0.02 0.12 -0.04 2.15 2.23 2jo7A9 GLN 280 HB3 -0.03 0.11 0.18 -0.04 2.02 2.25 2jo7A9 GLN 280 HG2 -0.02 -0.04 0.06 -0.04 2.40 2.36 2jo7A9 GLN 280 HG3 -0.01 -0.04 0.01 -0.04 2.39 2.31 2jo7A9 GLN 280 HE21 -0.01 -0.03 -0.02 -0.04 6.97 6.87 2jo7A9 GLN 280 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.59 2jo7A9 MET 281 H -0.06 0.58 -0.12 -0.55 8.47 8.32 2jo7A9 MET 281 HA -0.04 -0.03 0.45 -0.75 4.52 4.15 2jo7A9 MET 281 HB2 -0.05 0.01 0.11 -0.04 2.15 2.18 2jo7A9 MET 281 HB3 -0.10 0.27 0.15 -0.04 2.03 2.30 2jo7A9 MET 281 HG2 -0.06 -0.00 -0.05 -0.04 2.63 2.48 2jo7A9 MET 281 HG3 -0.03 -0.09 -0.01 -0.04 2.56 2.38 2jo7A9 MET 281 HE3 -0.01 0.00 -0.21 -0.04 2.10 1.84 2jo7A9 MET 282 H -0.14 0.67 -0.12 -0.55 8.47 8.33 2jo7A9 MET 282 HA -0.15 0.00 0.47 -0.75 4.52 4.09 2jo7A9 MET 282 HB2 -0.31 0.09 0.05 -0.04 2.15 1.94 2jo7A9 MET 282 HB3 -0.19 0.06 0.08 -0.04 2.03 1.93 2jo7A9 MET 282 HG2 -0.21 0.02 -0.07 -0.04 2.63 2.33 2jo7A9 MET 282 HG3 -0.34 -0.03 0.05 -0.04 2.56 2.20 2jo7A9 MET 282 HE3 -1.23 -0.01 -0.03 -0.04 2.10 0.79 2jo7A9 ASP 283 H -0.07 0.52 -0.22 -0.55 8.40 8.08 2jo7A9 ASP 283 HA -0.05 0.23 0.43 -0.75 4.63 4.48 2jo7A9 ASP 283 HB2 -0.05 0.07 0.08 -0.04 2.71 2.77 2jo7A9 ASP 283 HB3 -0.03 0.11 0.14 -0.04 2.70 2.89 2jo7A9 LEU 284 H -0.01 0.51 -0.04 -0.55 8.37 8.28 2jo7A9 LEU 284 HA 0.10 0.05 0.40 -0.75 4.35 4.15 2jo7A9 LEU 284 HB2 0.01 0.06 0.11 -0.04 1.64 1.78 2jo7A9 LEU 284 HB3 0.03 -0.04 0.12 -0.04 1.64 1.70 2jo7A9 LEU 284 HG 0.00 0.11 0.06 -0.04 1.64 1.77 2jo7A9 LEU 284 HD13 -0.00 -0.03 -0.02 -0.04 0.93 0.84 2jo7A9 LEU 284 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.81 2jo7A9 LEU 285 H -0.02 0.10 -0.70 -0.55 8.37 7.20 2jo7A9 LEU 285 HA 0.08 0.16 0.89 -0.75 4.35 4.73 2jo7A9 LEU 285 HB2 -0.00 -0.00 0.01 -0.04 1.64 1.60 2jo7A9 LEU 285 HB3 -0.03 0.04 0.12 -0.04 1.64 1.72 2jo7A9 LEU 285 HG 0.02 -0.03 -0.06 -0.04 1.64 1.54 2jo7A9 LEU 285 HD13 0.05 -0.02 0.06 -0.04 0.93 0.99 2jo7A9 LEU 285 HD23 -0.03 -0.02 0.01 -0.04 0.89 0.81 2jo7A9 TYR 286 H -0.02 0.62 0.08 -0.55 8.29 8.42 2jo7A9 TYR 286 HA -0.31 0.11 0.81 -0.75 4.56 4.42 2jo7A9 TYR 286 HB2 -0.12 -0.09 -0.08 -0.04 3.06 2.74 2jo7A9 TYR 286 HB3 -0.14 0.09 0.07 -0.04 2.98 2.96 2jo7A9 TYR 286 HD2 -0.03 0.05 -0.05 -0.04 7.15 7.08 2jo7A9 TYR 286 HE2 0.08 -0.01 -0.02 -0.04 6.85 6.86 2jo7A9 GLY 287 H -0.24 0.40 0.06 -0.55 8.43 8.11 2jo7A9 GLY 287 HA2 -0.03 0.04 0.38 -0.51 4.01 3.89 2jo7A9 GLY 287 HA3 -0.15 0.00 0.45 -0.51 4.01 3.80 2jo7A9 PRO 288 HA -0.09 0.09 0.46 -0.51 4.44 4.40 2jo7A9 PRO 288 HB2 -0.10 0.05 -0.06 -0.04 2.28 2.12 2jo7A9 PRO 288 HB3 -0.05 0.02 0.05 -0.04 2.02 2.00 2jo7A9 PRO 288 HG2 0.07 -0.02 -0.06 -0.04 2.03 1.98 2jo7A9 PRO 288 HG3 0.00 0.01 0.01 -0.04 2.03 2.01 2jo7A9 PRO 288 HD2 -0.00 0.10 0.19 -0.04 3.68 3.92 2jo7A9 PRO 288 HD3 0.01 0.13 0.15 -0.04 3.65 3.90 2jo7A9 ILE 289 H -0.23 0.21 0.14 -0.55 8.25 7.81 2jo7A9 ILE 289 HA -1.06 0.08 0.68 -0.75 4.18 3.13 2jo7A9 ILE 289 HB -0.62 -0.07 0.03 -0.04 1.89 1.19 2jo7A9 ILE 289 HG12 -0.14 0.03 -0.05 -0.04 1.49 1.28 2jo7A9 ILE 289 HG13 -0.14 0.01 -0.14 -0.04 1.21 0.90 2jo7A9 ILE 289 HG23 -0.40 0.04 -0.20 -0.04 0.93 0.33 2jo7A9 ILE 289 HD13 0.04 -0.00 -0.11 -0.04 0.88 0.77 2jo7A9 GLY 290 H -0.83 0.08 0.11 -0.55 8.43 7.24 2jo7A9 GLY 290 HA2 -0.06 0.03 0.09 -0.51 4.01 3.56 2jo7A9 GLY 290 HA3 -0.13 0.14 0.52 -0.51 4.01 4.03 2jo7A9 HIS 291 H -0.42 0.00 0.01 -0.55 8.41 7.46 2jo7A9 HIS 291 HA -0.29 0.08 0.25 -0.75 4.63 3.91 2jo7A9 HIS 291 HB2 -0.05 0.04 -0.05 -0.04 3.26 3.16 2jo7A9 HIS 291 HB3 -0.10 -0.03 0.02 -0.04 3.20 3.04 2jo7A9 HIS 291 HD2 -0.18 0.01 -0.21 -0.04 6.97 6.55 2jo7A9 HIS 291 HE1 -0.37 0.00 0.03 -0.04 7.75 7.37 2jo7A9 HIS 292 H -0.06 0.07 0.02 -0.55 8.41 7.89 2jo7A9 HIS 292 HA 0.04 0.15 0.37 -0.75 4.63 4.44 2jo7A9 HIS 292 HB2 0.02 -0.01 0.03 -0.04 3.26 3.26 2jo7A9 HIS 292 HB3 0.02 0.14 -0.15 -0.04 3.20 3.17 2jo7A9 HIS 292 HD2 0.01 0.04 -0.07 -0.04 6.97 6.90 2jo7A9 HIS 292 HE1 0.01 -0.00 -0.01 -0.04 7.75 7.70