============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 75 0.900 -28.407 1.670 -17.966 -99.200 -91.000 TYR 85 0.840 -20.771 12.429 -13.323 -99.200 -91.000 PHE 86 1.000 -30.093 11.410 -12.548 -99.200 -91.000 PHE 99 1.000 -26.214 2.415 -12.911 -99.200 -91.000 TYR 118 0.840 -20.639 -14.971 -8.018 -99.200 -91.000 PHE 147 1.000 -12.159 9.344 -12.391 -99.200 -91.000 PHE 159 1.000 -19.145 -0.142 -20.297 -99.200 -91.000 TYR 166 0.840 -10.869 -1.193 -15.344 -99.200 -91.000 TYR 176 0.840 -7.673 -9.709 -4.958 -99.200 -91.000 TYR 177 0.840 -13.588 -2.133 -3.530 -99.200 -91.000 HIS 185 0.900 -18.246 9.501 -3.503 -99.200 -91.000 PHE 191 1.000 -24.737 18.817 -8.292 -99.200 -91.000 TYR 206 0.840 -17.896 14.588 -32.704 -99.200 -91.000 TYR 208 0.840 -19.031 18.256 -37.383 -99.200 -91.000 TYR 214 0.840 -26.370 23.762 -40.428 -99.200 -91.000 TYR 216 0.840 -22.760 25.333 -31.418 -99.200 -91.000 HIS 222 0.900 -36.266 23.042 -31.486 -99.200 -91.000 TYR 229 0.840 -17.194 22.620 -29.232 -99.200 -91.000 TYR 305 0.840 -22.305 23.153 -8.502 -99.200 -91.000 PHE 306 1.000 -19.330 20.756 -15.980 -99.200 -91.000 HIS 307 0.900 -12.015 23.403 -12.812 -99.200 -91.000 TYR 309 0.840 -20.250 17.882 -6.804 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jk0G1 ASN 3 HA -0.00 -0.03 0.15 -0.75 4.76 4.12 2jk0G1 ASN 3 HB2 -0.00 -0.01 0.06 -0.04 2.88 2.88 2jk0G1 ASN 3 HB3 -0.00 -0.05 0.05 -0.04 2.79 2.74 2jk0G1 ASN 3 HD21 -0.00 -0.01 -0.04 -0.04 7.03 6.94 2jk0G1 ASN 3 HD22 -0.00 -0.02 -0.01 -0.04 7.74 7.66 2jk0G1 LEU 4 H -0.01 0.08 0.07 -0.55 8.37 7.97 2jk0G1 LEU 4 HA -0.01 0.14 0.67 -0.75 4.35 4.40 2jk0G1 LEU 4 HB2 -0.01 -0.09 0.05 -0.04 1.64 1.55 2jk0G1 LEU 4 HB3 -0.01 0.04 -0.03 -0.04 1.64 1.60 2jk0G1 LEU 4 HG -0.01 -0.10 -0.03 -0.04 1.64 1.46 2jk0G1 LEU 4 HD13 -0.01 -0.03 -0.18 -0.04 0.93 0.68 2jk0G1 LEU 4 HD23 -0.01 0.08 -0.11 -0.04 0.89 0.81 2jk0G1 PRO 5 HA -0.01 0.12 0.59 -0.51 4.44 4.64 2jk0G1 PRO 5 HB2 -0.02 -0.02 -0.07 -0.04 2.28 2.13 2jk0G1 PRO 5 HB3 -0.01 0.02 0.11 -0.04 2.02 2.09 2jk0G1 PRO 5 HG2 -0.02 0.14 0.16 -0.04 2.03 2.26 2jk0G1 PRO 5 HG3 -0.01 0.02 0.15 -0.04 2.03 2.15 2jk0G1 PRO 5 HD2 -0.02 0.20 0.40 -0.04 3.68 4.22 2jk0G1 PRO 5 HD3 -0.01 0.11 0.33 -0.04 3.65 4.03 2jk0G1 ASN 6 H -0.01 0.15 0.14 -0.55 8.53 8.26 2jk0G1 ASN 6 HA -0.02 0.18 0.96 -0.75 4.76 5.13 2jk0G1 ASN 6 HB2 -0.01 -0.02 0.18 -0.04 2.88 2.98 2jk0G1 ASN 6 HB3 -0.01 0.04 0.08 -0.04 2.79 2.86 2jk0G1 ASN 6 HD21 -0.01 -0.03 -0.01 -0.04 7.03 6.94 2jk0G1 ASN 6 HD22 -0.01 0.05 -0.05 -0.04 7.74 7.69 2jk0G1 ILE 7 H -0.02 0.31 -0.04 -0.55 8.25 7.95 2jk0G1 ILE 7 HA -0.02 0.36 1.04 -0.75 4.18 4.81 2jk0G1 ILE 7 HB -0.03 -0.07 -0.11 -0.04 1.89 1.63 2jk0G1 ILE 7 HG12 -0.03 -0.05 -0.51 -0.04 1.49 0.86 2jk0G1 ILE 7 HG13 -0.04 0.01 -0.31 -0.04 1.21 0.82 2jk0G1 ILE 7 HG23 -0.04 -0.03 -0.32 -0.04 0.93 0.50 2jk0G1 ILE 7 HD13 -0.03 0.06 -0.40 -0.04 0.88 0.48 2jk0G1 VAL 8 H -0.03 0.42 0.28 -0.55 8.24 8.36 2jk0G1 VAL 8 HA -0.02 0.12 0.89 -0.75 4.13 4.36 2jk0G1 VAL 8 HB -0.03 -0.00 0.10 -0.04 2.12 2.15 2jk0G1 VAL 8 HG13 -0.03 -0.03 -0.21 -0.04 0.97 0.67 2jk0G1 VAL 8 HG23 -0.02 0.02 -0.04 -0.04 0.95 0.87 2jk0G1 ILE 9 H -0.03 0.77 0.37 -0.55 8.25 8.82 2jk0G1 ILE 9 HA -0.05 0.31 1.07 -0.75 4.18 4.76 2jk0G1 ILE 9 HB -0.03 -0.08 0.19 -0.04 1.89 1.93 2jk0G1 ILE 9 HG12 -0.04 0.01 -0.15 -0.04 1.49 1.27 2jk0G1 ILE 9 HG13 -0.03 0.11 -0.19 -0.04 1.21 1.06 2jk0G1 ILE 9 HG23 -0.04 -0.03 -0.20 -0.04 0.93 0.62 2jk0G1 ILE 9 HD13 -0.02 -0.01 -0.10 -0.04 0.88 0.70 2jk0G1 LEU 10 H -0.07 0.73 0.27 -0.55 8.37 8.75 2jk0G1 LEU 10 HA -0.04 0.16 0.88 -0.75 4.35 4.59 2jk0G1 LEU 10 HB2 -0.09 0.09 0.16 -0.04 1.64 1.76 2jk0G1 LEU 10 HB3 -0.07 -0.04 0.02 -0.04 1.64 1.51 2jk0G1 LEU 10 HG -0.04 -0.01 -0.07 -0.04 1.64 1.48 2jk0G1 LEU 10 HD13 -0.03 0.00 -0.21 -0.04 0.93 0.65 2jk0G1 LEU 10 HD23 -0.05 0.02 -0.12 -0.04 0.89 0.69 2jk0G1 ALA 11 H -0.03 0.63 0.40 -0.55 8.40 8.85 2jk0G1 ALA 11 HA -0.03 0.02 0.82 -0.75 4.34 4.40 2jk0G1 ALA 11 HB3 -0.02 -0.01 0.16 -0.04 1.41 1.50 2jk0G1 THR 12 H -0.02 0.34 0.32 -0.55 8.28 8.37 2jk0G1 THR 12 HA -0.03 0.07 0.86 -0.75 4.39 4.53 2jk0G1 THR 12 HB 0.01 0.55 0.32 -0.04 4.32 5.15 2jk0G1 THR 12 HG23 -0.24 -0.07 -0.16 -0.04 1.22 0.71 2jk0G1 GLY 13 H -0.03 0.06 0.06 -0.55 8.43 7.98 2jk0G1 GLY 13 HA2 -0.03 0.07 0.26 -0.51 4.01 3.81 2jk0G1 GLY 13 HA3 -0.05 0.17 0.82 -0.51 4.01 4.45 2jk0G1 GLY 14 H -0.05 0.37 0.01 -0.55 8.43 8.21 2jk0G1 GLY 14 HA2 -0.03 -0.17 0.42 -0.51 4.01 3.72 2jk0G1 GLY 14 HA3 -0.01 0.19 0.32 -0.51 4.01 4.00 2jk0G1 THR 15 H 0.03 0.04 0.25 -0.55 8.28 8.05 2jk0G1 THR 15 HA 0.01 0.18 0.52 -0.75 4.39 4.35 2jk0G1 THR 15 HB 0.04 0.03 0.17 -0.04 4.32 4.52 2jk0G1 THR 15 HG23 0.03 0.06 -0.51 -0.04 1.22 0.75 2jk0G1 ILE 16 H 0.03 0.00 -0.21 -0.55 8.25 7.52 2jk0G1 ILE 16 HA 0.02 0.06 0.44 -0.75 4.18 3.95 2jk0G1 ILE 16 HB 0.04 -0.14 -0.14 -0.04 1.89 1.61 2jk0G1 ILE 16 HG12 0.02 0.05 -0.10 -0.04 1.49 1.42 2jk0G1 ILE 16 HG13 0.02 -0.08 0.03 -0.04 1.21 1.15 2jk0G1 ILE 16 HG23 0.02 0.00 -0.12 -0.04 0.93 0.79 2jk0G1 ILE 16 HD13 0.03 0.06 -0.12 -0.04 0.88 0.80 2jk0G1 ALA 17 H 0.01 0.20 -0.78 -0.55 8.40 7.28 2jk0G1 ALA 17 HA 0.00 0.23 0.58 -0.75 4.34 4.39 2jk0G1 ALA 17 HB3 -0.01 0.02 -0.06 -0.04 1.41 1.32 2jk0G1 LEU 34 HA -0.00 -0.05 0.20 -0.75 4.35 3.74 2jk0G1 LEU 34 HB2 -0.00 0.02 -0.16 -0.04 1.64 1.46 2jk0G1 LEU 34 HB3 -0.00 -0.12 -1.02 -0.04 1.64 0.45 2jk0G1 LEU 34 HG -0.00 0.00 -0.21 -0.04 1.64 1.39 2jk0G1 LEU 34 HD13 -0.00 0.00 -0.03 -0.04 0.93 0.87 2jk0G1 LEU 34 HD23 0.00 0.03 -0.10 -0.04 0.89 0.78 2jk0G1 GLY 35 H -0.01 0.09 0.07 -0.55 8.43 8.04 2jk0G1 GLY 35 HA2 -0.01 0.07 0.21 -0.51 4.01 3.77 2jk0G1 GLY 35 HA3 -0.01 0.01 0.32 -0.51 4.01 3.82 2jk0G1 VAL 36 H -0.01 0.17 0.11 -0.55 8.24 7.96 2jk0G1 VAL 36 HA -0.01 0.11 0.29 -0.75 4.13 3.76 2jk0G1 VAL 36 HB -0.02 -0.01 0.14 -0.04 2.12 2.19 2jk0G1 VAL 36 HG13 -0.01 0.01 -0.16 -0.04 0.97 0.76 2jk0G1 VAL 36 HG23 -0.02 0.05 0.00 -0.04 0.95 0.94 2jk0G1 GLU 37 H -0.01 0.06 -0.26 -0.55 8.60 7.84 2jk0G1 GLU 37 HA -0.00 0.11 0.41 -0.75 4.29 4.05 2jk0G1 GLU 37 HB2 -0.01 0.03 0.04 -0.04 2.09 2.12 2jk0G1 GLU 37 HB3 -0.00 -0.06 0.01 -0.04 1.99 1.89 2jk0G1 GLU 37 HG2 -0.00 0.01 -0.08 -0.04 2.34 2.23 2jk0G1 GLU 37 HG3 -0.00 0.01 -0.23 -0.04 2.34 2.08 2jk0G1 THR 38 H -0.00 0.13 -0.25 -0.55 8.28 7.61 2jk0G1 THR 38 HA 0.00 0.04 0.32 -0.75 4.39 4.00 2jk0G1 THR 38 HB -0.00 0.18 -0.10 -0.04 4.32 4.36 2jk0G1 THR 38 HG23 0.00 0.01 -0.15 -0.04 1.22 1.04 2jk0G1 LEU 39 H -0.00 0.32 -0.33 -0.55 8.37 7.81 2jk0G1 LEU 39 HA 0.01 0.04 0.35 -0.75 4.35 3.99 2jk0G1 LEU 39 HB2 -0.00 0.03 0.10 -0.04 1.64 1.73 2jk0G1 LEU 39 HB3 0.00 -0.00 -0.11 -0.04 1.64 1.48 2jk0G1 LEU 39 HG 0.01 -0.01 -0.07 -0.04 1.64 1.52 2jk0G1 LEU 39 HD13 0.00 0.07 -0.11 -0.04 0.93 0.86 2jk0G1 LEU 39 HD23 -0.00 -0.05 -0.13 -0.04 0.89 0.67 2jk0G1 ILE 40 H 0.00 0.48 -0.15 -0.55 8.25 8.03 2jk0G1 ILE 40 HA 0.01 0.04 0.39 -0.75 4.18 3.87 2jk0G1 ILE 40 HB -0.00 0.06 0.10 -0.04 1.89 2.01 2jk0G1 ILE 40 HG12 -0.01 -0.00 -0.06 -0.04 1.49 1.38 2jk0G1 ILE 40 HG13 -0.01 0.02 0.01 -0.04 1.21 1.19 2jk0G1 ILE 40 HG23 -0.00 -0.00 -0.13 -0.04 0.93 0.76 2jk0G1 ILE 40 HD13 -0.01 -0.03 -0.17 -0.04 0.88 0.63 2jk0G1 GLN 41 H 0.00 0.45 -0.19 -0.55 8.47 8.19 2jk0G1 GLN 41 HA 0.01 0.07 0.38 -0.75 4.36 4.06 2jk0G1 GLN 41 HB2 0.00 0.05 0.02 -0.04 2.15 2.17 2jk0G1 GLN 41 HB3 0.00 -0.04 0.04 -0.04 2.02 1.98 2jk0G1 GLN 41 HG2 0.00 0.20 0.01 -0.04 2.40 2.57 2jk0G1 GLN 41 HG3 0.00 -0.09 -0.09 -0.04 2.39 2.17 2jk0G1 GLN 41 HE21 0.00 0.00 -0.02 -0.04 6.97 6.91 2jk0G1 GLN 41 HE22 0.00 -0.03 -0.04 -0.04 7.69 7.58 2jk0G1 ALA 42 H 0.01 0.33 -0.43 -0.55 8.40 7.76 2jk0G1 ALA 42 HA 0.01 0.04 0.44 -0.75 4.34 4.07 2jk0G1 ALA 42 HB3 0.01 0.02 0.08 -0.04 1.41 1.48 2jk0G1 VAL 43 H 0.02 0.31 -0.63 -0.55 8.24 7.40 2jk0G1 VAL 43 HA 0.03 0.15 0.83 -0.75 4.13 4.38 2jk0G1 VAL 43 HB 0.06 0.03 0.17 -0.04 2.12 2.34 2jk0G1 VAL 43 HG13 0.12 -0.05 -0.02 -0.04 0.97 0.98 2jk0G1 VAL 43 HG23 0.04 0.06 -0.16 -0.04 0.95 0.85 2jk0G1 PRO 44 HA 0.02 0.15 0.48 -0.51 4.44 4.58 2jk0G1 PRO 44 HB2 0.02 0.01 0.01 -0.04 2.28 2.27 2jk0G1 PRO 44 HB3 0.01 0.07 0.11 -0.04 2.02 2.18 2jk0G1 PRO 44 HG2 0.01 -0.02 0.03 -0.04 2.03 2.02 2jk0G1 PRO 44 HG3 0.01 0.06 0.04 -0.04 2.03 2.10 2jk0G1 PRO 44 HD2 0.01 0.11 0.07 -0.04 3.68 3.84 2jk0G1 PRO 44 HD3 0.01 0.28 -0.15 -0.04 3.65 3.75 2jk0G1 GLU 45 H 0.06 0.11 -0.35 -0.55 8.60 7.88 2jk0G1 GLU 45 HA 0.08 0.12 0.49 -0.75 4.29 4.23 2jk0G1 GLU 45 HB2 0.15 0.01 -0.04 -0.04 2.09 2.16 2jk0G1 GLU 45 HB3 0.19 0.04 0.08 -0.04 1.99 2.25 2jk0G1 GLU 45 HG2 -0.03 0.02 -0.00 -0.04 2.34 2.29 2jk0G1 GLU 45 HG3 0.02 0.02 -0.03 -0.04 2.34 2.31 2jk0G1 LEU 46 H 0.09 0.46 -0.33 -0.55 8.37 8.04 2jk0G1 LEU 46 HA -0.02 0.06 0.55 -0.75 4.35 4.19 2jk0G1 LEU 46 HB2 0.02 0.19 0.11 -0.04 1.64 1.92 2jk0G1 LEU 46 HB3 -0.01 -0.02 0.02 -0.04 1.64 1.59 2jk0G1 LEU 46 HG 0.08 -0.04 0.05 -0.04 1.64 1.70 2jk0G1 LEU 46 HD13 0.01 0.02 -0.00 -0.04 0.93 0.92 2jk0G1 LEU 46 HD23 -0.04 -0.02 -0.08 -0.04 0.89 0.71 2jk0G1 LYS 47 H 0.03 0.35 -0.29 -0.55 8.42 7.96 2jk0G1 LYS 47 HA 0.00 0.11 0.42 -0.75 4.32 4.10 2jk0G1 LYS 47 HB2 0.02 0.04 0.08 -0.04 1.87 1.97 2jk0G1 LYS 47 HB3 0.01 -0.03 0.08 -0.04 1.79 1.81 2jk0G1 LYS 47 HG2 0.01 -0.08 0.11 -0.04 1.46 1.47 2jk0G1 LYS 47 HG3 0.02 0.05 0.16 -0.04 1.46 1.65 2jk0G1 LYS 47 HD2 0.01 -0.04 0.04 -0.04 1.69 1.66 2jk0G1 LYS 47 HD3 0.01 -0.01 0.05 -0.04 1.68 1.69 2jk0G1 LYS 47 HE2 0.00 0.04 0.06 -0.04 2.99 3.05 2jk0G1 LYS 47 HE3 0.00 -0.00 0.00 -0.04 2.99 2.96 2jk0G1 THR 48 H 0.04 0.26 -0.52 -0.55 8.28 7.50 2jk0G1 THR 48 HA 0.01 0.09 0.43 -0.75 4.39 4.17 2jk0G1 THR 48 HB 0.05 0.03 -0.07 -0.04 4.32 4.29 2jk0G1 THR 48 HG23 0.03 -0.02 0.04 -0.04 1.22 1.23 2jk0G1 LEU 49 H -0.03 0.32 -0.34 -0.55 8.37 7.78 2jk0G1 LEU 49 HA -0.05 0.12 0.62 -0.75 4.35 4.29 2jk0G1 LEU 49 HB2 -0.12 0.07 0.10 -0.04 1.64 1.64 2jk0G1 LEU 49 HB3 -0.14 -0.02 -0.10 -0.04 1.64 1.34 2jk0G1 LEU 49 HG -0.15 0.07 0.03 -0.04 1.64 1.55 2jk0G1 LEU 49 HD13 -0.73 -0.05 -0.02 -0.04 0.93 0.09 2jk0G1 LEU 49 HD23 -0.18 -0.01 -0.10 -0.04 0.89 0.56 2jk0G1 ALA 50 H -0.03 0.40 0.11 -0.55 8.40 8.32 2jk0G1 ALA 50 HA -0.02 0.21 0.71 -0.75 4.34 4.48 2jk0G1 ALA 50 HB3 -0.04 -0.01 -0.26 -0.04 1.41 1.06 2jk0G1 ASN 51 H -0.02 0.88 0.25 -0.55 8.53 9.09 2jk0G1 ASN 51 HA -0.01 0.06 0.77 -0.75 4.76 4.83 2jk0G1 ASN 51 HB2 -0.01 0.03 0.12 -0.04 2.88 2.97 2jk0G1 ASN 51 HB3 -0.01 -0.04 0.02 -0.04 2.79 2.72 2jk0G1 ASN 51 HD21 -0.01 -0.03 -0.03 -0.04 7.03 6.92 2jk0G1 ASN 51 HD22 -0.01 0.05 -0.12 -0.04 7.74 7.62 2jk0G1 ILE 52 H -0.01 0.17 0.12 -0.55 8.25 7.98 2jk0G1 ILE 52 HA -0.02 0.28 0.37 -0.75 4.18 4.06 2jk0G1 ILE 52 HB -0.01 -0.06 0.03 -0.04 1.89 1.80 2jk0G1 ILE 52 HG12 -0.02 -0.07 -0.09 -0.04 1.49 1.27 2jk0G1 ILE 52 HG13 -0.02 -0.01 -0.24 -0.04 1.21 0.89 2jk0G1 ILE 52 HG23 -0.02 -0.02 -0.15 -0.04 0.93 0.70 2jk0G1 ILE 52 HD13 -0.01 0.03 -0.09 -0.04 0.88 0.77 2jk0G1 LYS 53 H -0.02 0.62 0.40 -0.55 8.42 8.87 2jk0G1 LYS 53 HA -0.01 0.13 0.80 -0.75 4.32 4.48 2jk0G1 LYS 53 HB2 -0.02 -0.01 0.10 -0.04 1.87 1.90 2jk0G1 LYS 53 HB3 -0.01 -0.03 0.01 -0.04 1.79 1.71 2jk0G1 LYS 53 HG2 -0.01 0.02 0.01 -0.04 1.46 1.45 2jk0G1 LYS 53 HG3 -0.01 0.10 -0.17 -0.04 1.46 1.34 2jk0G1 LYS 53 HD2 -0.01 -0.01 -0.05 -0.04 1.69 1.58 2jk0G1 LYS 53 HD3 -0.01 -0.04 -0.02 -0.04 1.68 1.57 2jk0G1 LYS 53 HE2 -0.01 0.08 -0.05 -0.04 2.99 2.98 2jk0G1 LYS 53 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.88 2jk0G1 GLY 54 H -0.01 0.22 0.14 -0.55 8.43 8.23 2jk0G1 GLY 54 HA2 -0.02 0.20 0.99 -0.51 4.01 4.67 2jk0G1 GLY 54 HA3 -0.01 -0.05 0.24 -0.51 4.01 3.67 2jk0G1 GLU 55 H -0.02 0.64 0.41 -0.55 8.60 9.08 2jk0G1 GLU 55 HA -0.01 0.13 0.88 -0.75 4.29 4.53 2jk0G1 GLU 55 HB2 -0.02 0.01 -0.24 -0.04 2.09 1.79 2jk0G1 GLU 55 HB3 -0.02 -0.03 -0.03 -0.04 1.99 1.87 2jk0G1 GLU 55 HG2 -0.01 -0.00 -0.06 -0.04 2.34 2.22 2jk0G1 GLU 55 HG3 -0.01 0.03 0.04 -0.04 2.34 2.36 2jk0G1 GLN 56 H -0.01 0.25 0.15 -0.55 8.47 8.32 2jk0G1 GLN 56 HA -0.02 0.08 1.11 -0.75 4.36 4.78 2jk0G1 GLN 56 HB2 -0.01 -0.10 -0.00 -0.04 2.15 1.99 2jk0G1 GLN 56 HB3 -0.01 0.06 0.14 -0.04 2.02 2.17 2jk0G1 GLN 56 HG2 -0.01 -0.00 -0.10 -0.04 2.40 2.24 2jk0G1 GLN 56 HG3 -0.01 0.07 -0.27 -0.04 2.39 2.13 2jk0G1 GLN 56 HE21 -0.02 -0.10 -0.08 -0.04 6.97 6.73 2jk0G1 GLN 56 HE22 -0.02 0.15 -0.28 -0.04 7.69 7.51 2jk0G1 VAL 57 H -0.02 0.47 0.31 -0.55 8.24 8.45 2jk0G1 VAL 57 HA -0.02 0.15 0.74 -0.75 4.13 4.25 2jk0G1 VAL 57 HB -0.02 0.11 0.06 -0.04 2.12 2.23 2jk0G1 VAL 57 HG13 -0.02 -0.01 -0.09 -0.04 0.97 0.81 2jk0G1 VAL 57 HG23 -0.02 -0.01 -0.10 -0.04 0.95 0.77 2jk0G1 ALA 58 H -0.02 0.40 0.24 -0.55 8.40 8.47 2jk0G1 ALA 58 HA -0.02 0.10 0.35 -0.75 4.34 4.02 2jk0G1 ALA 58 HB3 -0.02 0.02 0.02 -0.04 1.41 1.38 2jk0G1 SER 59 H -0.02 0.17 -0.04 -0.55 8.46 8.02 2jk0G1 SER 59 HA -0.03 0.14 0.60 -0.75 4.49 4.44 2jk0G1 SER 59 HB2 -0.01 0.00 0.08 -0.04 3.95 3.98 2jk0G1 SER 59 HB3 -0.02 0.01 0.10 -0.04 3.93 3.98 2jk0G1 ILE 60 H -0.05 0.68 0.18 -0.55 8.25 8.51 2jk0G1 ILE 60 HA -0.03 0.20 0.93 -0.75 4.18 4.53 2jk0G1 ILE 60 HB -0.03 0.08 0.06 -0.04 1.89 1.95 2jk0G1 ILE 60 HG12 -0.04 -0.04 -0.07 -0.04 1.49 1.30 2jk0G1 ILE 60 HG13 -0.07 -0.02 -0.12 -0.04 1.21 0.95 2jk0G1 ILE 60 HG23 -0.02 -0.00 -0.12 -0.04 0.93 0.75 2jk0G1 ILE 60 HD13 -0.03 0.01 -0.25 -0.04 0.88 0.57 2jk0G1 GLY 61 H -0.03 0.22 0.15 -0.55 8.43 8.23 2jk0G1 GLY 61 HA2 -0.04 -0.03 0.73 -0.51 4.01 4.16 2jk0G1 GLY 61 HA3 -0.02 0.10 0.36 -0.51 4.01 3.94 2jk0G1 SER 62 H -0.05 0.03 0.14 -0.55 8.46 8.04 2jk0G1 SER 62 HA -0.09 0.23 0.43 -0.75 4.49 4.31 2jk0G1 SER 62 HB2 0.09 0.16 0.03 -0.04 3.95 4.19 2jk0G1 SER 62 HB3 -0.34 -0.09 0.07 -0.04 3.93 3.53 2jk0G1 GLU 63 H -0.00 -0.00 -0.38 -0.55 8.60 7.67 2jk0G1 GLU 63 HA 0.02 0.11 0.42 -0.75 4.29 4.08 2jk0G1 GLU 63 HB2 -0.00 0.04 -0.08 -0.04 2.09 2.00 2jk0G1 GLU 63 HB3 0.00 0.10 0.03 -0.04 1.99 2.08 2jk0G1 GLU 63 HG2 -0.00 0.10 0.02 -0.04 2.34 2.42 2jk0G1 GLU 63 HG3 0.01 -0.01 0.04 -0.04 2.34 2.34 2jk0G1 ASN 64 H -0.01 0.24 -0.46 -0.55 8.53 7.75 2jk0G1 ASN 64 HA -0.00 0.23 0.43 -0.75 4.76 4.66 2jk0G1 ASN 64 HB2 -0.02 0.06 0.05 -0.04 2.88 2.93 2jk0G1 ASN 64 HB3 -0.01 0.01 0.08 -0.04 2.79 2.82 2jk0G1 ASN 64 HD21 -0.01 0.03 -0.02 -0.04 7.03 6.99 2jk0G1 ASN 64 HD22 -0.01 -0.05 0.02 -0.04 7.74 7.66 2jk0G1 MET 65 H 0.00 0.08 -0.33 -0.55 8.47 7.67 2jk0G1 MET 65 HA -0.00 -0.01 0.53 -0.75 4.52 4.28 2jk0G1 MET 65 HB2 0.02 -0.13 0.07 -0.04 2.15 2.08 2jk0G1 MET 65 HB3 0.07 0.09 0.06 -0.04 2.03 2.21 2jk0G1 MET 65 HG2 0.18 -0.05 -0.08 -0.04 2.63 2.64 2jk0G1 MET 65 HG3 0.02 0.08 -0.25 -0.04 2.56 2.37 2jk0G1 MET 65 HE3 0.03 -0.01 -0.08 -0.04 2.10 2.00 2jk0G1 THR 66 H -0.01 0.07 0.25 -0.55 8.28 8.04 2jk0G1 THR 66 HA 0.01 0.28 0.83 -0.75 4.39 4.75 2jk0G1 THR 66 HB 0.00 -0.09 0.17 -0.04 4.32 4.36 2jk0G1 THR 66 HG23 0.00 0.10 -0.04 -0.04 1.22 1.24 2jk0G1 SER 67 H 0.01 0.26 0.14 -0.55 8.46 8.32 2jk0G1 SER 67 HA -0.06 0.08 0.44 -0.75 4.49 4.19 2jk0G1 SER 67 HB2 0.09 0.07 0.04 -0.04 3.95 4.12 2jk0G1 SER 67 HB3 0.05 0.06 0.08 -0.04 3.93 4.08 2jk0G1 ASP 68 H -0.00 0.07 -0.15 -0.55 8.40 7.77 2jk0G1 ASP 68 HA 0.00 0.20 0.48 -0.75 4.63 4.56 2jk0G1 ASP 68 HB2 -0.01 -0.05 0.06 -0.04 2.71 2.67 2jk0G1 ASP 68 HB3 0.00 0.11 0.07 -0.04 2.70 2.85 2jk0G1 VAL 69 H -0.03 0.07 -0.18 -0.55 8.24 7.55 2jk0G1 VAL 69 HA -0.03 0.11 0.36 -0.75 4.13 3.81 2jk0G1 VAL 69 HB -0.03 0.03 0.10 -0.04 2.12 2.19 2jk0G1 VAL 69 HG13 -0.02 0.01 -0.05 -0.04 0.97 0.87 2jk0G1 VAL 69 HG23 -0.02 0.00 0.06 -0.04 0.95 0.96 2jk0G1 LEU 70 H -0.14 0.28 -0.30 -0.55 8.37 7.66 2jk0G1 LEU 70 HA -0.25 0.04 0.55 -0.75 4.35 3.94 2jk0G1 LEU 70 HB2 -0.43 0.05 0.10 -0.04 1.64 1.33 2jk0G1 LEU 70 HB3 -1.57 0.03 -0.06 -0.04 1.64 -0.01 2jk0G1 LEU 70 HG -0.16 -0.00 -0.09 -0.04 1.64 1.35 2jk0G1 LEU 70 HD13 -0.23 -0.01 -0.13 -0.04 0.93 0.51 2jk0G1 LEU 70 HD23 -0.20 -0.01 -0.01 -0.04 0.89 0.63 2jk0G1 LEU 71 H -0.12 0.49 -0.22 -0.55 8.37 7.98 2jk0G1 LEU 71 HA 0.08 0.03 0.51 -0.75 4.35 4.20 2jk0G1 LEU 71 HB2 0.01 0.18 0.20 -0.04 1.64 2.00 2jk0G1 LEU 71 HB3 0.04 0.09 -0.03 -0.04 1.64 1.70 2jk0G1 LEU 71 HG 0.14 -0.04 -0.04 -0.04 1.64 1.65 2jk0G1 LEU 71 HD13 0.06 0.00 -0.29 -0.04 0.93 0.66 2jk0G1 LEU 71 HD23 0.17 0.03 -0.05 -0.04 0.89 1.00 2jk0G1 THR 72 H -0.03 0.33 -0.10 -0.55 8.28 7.93 2jk0G1 THR 72 HA 0.00 0.11 0.53 -0.75 4.39 4.27 2jk0G1 THR 72 HB -0.02 0.05 0.03 -0.04 4.32 4.34 2jk0G1 THR 72 HG23 -0.00 -0.00 0.04 -0.04 1.22 1.21 2jk0G1 LEU 73 H -0.06 0.26 -0.41 -0.55 8.37 7.61 2jk0G1 LEU 73 HA -0.02 0.06 0.51 -0.75 4.35 4.15 2jk0G1 LEU 73 HB2 -0.03 0.06 0.08 -0.04 1.64 1.71 2jk0G1 LEU 73 HB3 -0.08 0.07 0.15 -0.04 1.64 1.74 2jk0G1 LEU 73 HG -0.00 -0.00 -0.26 -0.04 1.64 1.34 2jk0G1 LEU 73 HD13 -0.04 -0.01 -0.05 -0.04 0.93 0.80 2jk0G1 LEU 73 HD23 0.06 -0.02 -0.10 -0.04 0.89 0.80 2jk0G1 SER 74 H -0.02 0.60 -0.08 -0.55 8.46 8.41 2jk0G1 SER 74 HA 0.08 -0.01 0.41 -0.75 4.49 4.21 2jk0G1 SER 74 HB2 0.34 -0.02 0.05 -0.04 3.95 4.28 2jk0G1 SER 74 HB3 0.19 0.13 0.15 -0.04 3.93 4.36 2jk0G1 LYS 75 H 0.05 0.61 -0.15 -0.55 8.42 8.37 2jk0G1 LYS 75 HA 0.04 -0.00 0.31 -0.75 4.32 3.91 2jk0G1 LYS 75 HB2 0.02 0.03 0.10 -0.04 1.87 1.99 2jk0G1 LYS 75 HB3 0.02 -0.03 -0.02 -0.04 1.79 1.73 2jk0G1 LYS 75 HG2 0.03 -0.03 0.06 -0.04 1.46 1.48 2jk0G1 LYS 75 HG3 0.05 -0.02 0.02 -0.04 1.46 1.47 2jk0G1 LYS 75 HD2 0.03 -0.03 -0.10 -0.04 1.69 1.55 2jk0G1 LYS 75 HD3 0.02 -0.08 0.01 -0.04 1.68 1.59 2jk0G1 LYS 75 HE2 0.03 0.19 0.02 -0.04 2.99 3.20 2jk0G1 LYS 75 HE3 0.05 0.06 0.04 -0.04 2.99 3.11 2jk0G1 ARG 76 H 0.01 0.35 -0.44 -0.55 8.46 7.83 2jk0G1 ARG 76 HA 0.00 0.04 0.46 -0.75 4.34 4.09 2jk0G1 ARG 76 HB2 -0.00 0.08 0.10 -0.04 1.90 2.04 2jk0G1 ARG 76 HB3 -0.01 0.09 0.08 -0.04 1.80 1.93 2jk0G1 ARG 76 HG2 -0.01 -0.05 -0.06 -0.04 1.67 1.51 2jk0G1 ARG 76 HG3 -0.01 -0.02 -0.16 -0.04 1.67 1.44 2jk0G1 ARG 76 HD2 -0.00 -0.00 0.04 -0.04 3.22 3.21 2jk0G1 ARG 76 HD3 -0.00 0.01 -0.01 -0.04 3.22 3.17 2jk0G1 VAL 77 H 0.01 0.51 -0.16 -0.55 8.24 8.05 2jk0G1 VAL 77 HA -0.01 0.02 0.44 -0.75 4.13 3.83 2jk0G1 VAL 77 HB 0.03 0.07 0.23 -0.04 2.12 2.41 2jk0G1 VAL 77 HG13 0.02 -0.02 -0.11 -0.04 0.97 0.82 2jk0G1 VAL 77 HG23 -0.02 0.07 -0.02 -0.04 0.95 0.94 2jk0G1 ASN 78 H 0.03 0.81 0.05 -0.55 8.53 8.88 2jk0G1 ASN 78 HA 0.02 -0.05 0.36 -0.75 4.76 4.34 2jk0G1 ASN 78 HB2 0.03 0.11 0.07 -0.04 2.88 3.05 2jk0G1 ASN 78 HB3 0.02 0.01 0.00 -0.04 2.79 2.78 2jk0G1 ASN 78 HD21 0.05 0.26 -0.22 -0.04 7.03 7.07 2jk0G1 ASN 78 HD22 0.05 -0.04 -0.19 -0.04 7.74 7.52 2jk0G1 GLU 79 H 0.01 0.30 -0.63 -0.55 8.60 7.74 2jk0G1 GLU 79 HA 0.01 0.01 0.46 -0.75 4.29 4.01 2jk0G1 GLU 79 HB2 0.01 0.36 0.20 -0.04 2.09 2.61 2jk0G1 GLU 79 HB3 0.00 0.10 0.12 -0.04 1.99 2.17 2jk0G1 GLU 79 HG2 0.00 -0.04 -0.04 -0.04 2.34 2.22 2jk0G1 GLU 79 HG3 0.00 -0.04 0.04 -0.04 2.34 2.30 2jk0G1 LEU 80 H 0.00 0.47 -0.18 -0.55 8.37 8.11 2jk0G1 LEU 80 HA -0.00 0.03 0.59 -0.75 4.35 4.22 2jk0G1 LEU 80 HB2 -0.01 0.14 0.18 -0.04 1.64 1.92 2jk0G1 LEU 80 HB3 -0.01 -0.04 -0.07 -0.04 1.64 1.48 2jk0G1 LEU 80 HG -0.01 0.07 -0.01 -0.04 1.64 1.66 2jk0G1 LEU 80 HD13 -0.02 -0.04 -0.11 -0.04 0.93 0.73 2jk0G1 LEU 80 HD23 -0.01 -0.02 -0.03 -0.04 0.89 0.79 2jk0G1 LEU 81 H 0.00 0.34 -0.14 -0.55 8.37 8.03 2jk0G1 LEU 81 HA -0.00 0.23 0.39 -0.75 4.35 4.21 2jk0G1 LEU 81 HB2 0.01 -0.02 -0.06 -0.04 1.64 1.52 2jk0G1 LEU 81 HB3 0.00 -0.02 0.00 -0.04 1.64 1.58 2jk0G1 LEU 81 HG 0.00 0.21 -0.03 -0.04 1.64 1.78 2jk0G1 LEU 81 HD13 0.01 -0.03 -0.16 -0.04 0.93 0.71 2jk0G1 LEU 81 HD23 -0.01 -0.00 -0.26 -0.04 0.89 0.58 2jk0G1 ALA 82 H 0.00 0.20 -0.33 -0.55 8.40 7.72 2jk0G1 ALA 82 HA -0.00 0.08 0.61 -0.75 4.34 4.28 2jk0G1 ALA 82 HB3 0.00 0.01 0.05 -0.04 1.41 1.43 2jk0G1 ARG 83 H -0.00 0.21 -0.55 -0.55 8.46 7.57 2jk0G1 ARG 83 HA -0.00 -0.02 0.61 -0.75 4.34 4.17 2jk0G1 ARG 83 HB2 -0.00 0.36 0.18 -0.04 1.90 2.40 2jk0G1 ARG 83 HB3 -0.00 -0.18 -0.02 -0.04 1.80 1.55 2jk0G1 ARG 83 HG2 -0.00 -0.01 -0.00 -0.04 1.67 1.61 2jk0G1 ARG 83 HG3 -0.00 0.09 0.06 -0.04 1.67 1.77 2jk0G1 ARG 83 HD2 -0.00 -0.08 -0.00 -0.04 3.22 3.09 2jk0G1 ARG 83 HD3 -0.00 -0.03 0.02 -0.04 3.22 3.17 2jk0G1 SER 84 H -0.00 0.11 0.17 -0.55 8.46 8.19 2jk0G1 SER 84 HA -0.00 0.18 0.35 -0.75 4.49 4.26 2jk0G1 SER 84 HB2 -0.00 0.01 0.11 -0.04 3.95 4.03 2jk0G1 SER 84 HB3 -0.00 0.02 0.14 -0.04 3.93 4.05 2jk0G1 ASP 85 H -0.00 0.00 -0.41 -0.55 8.40 7.44 2jk0G1 ASP 85 HA -0.01 0.15 0.52 -0.75 4.63 4.54 2jk0G1 ASP 85 HB2 -0.01 0.01 0.14 -0.04 2.71 2.81 2jk0G1 ASP 85 HB3 -0.01 -0.05 0.02 -0.04 2.70 2.63 2jk0G1 VAL 86 H -0.01 0.49 -0.49 -0.55 8.24 7.69 2jk0G1 VAL 86 HA -0.01 0.12 0.80 -0.75 4.13 4.28 2jk0G1 VAL 86 HB -0.01 0.24 0.04 -0.04 2.12 2.36 2jk0G1 VAL 86 HG13 -0.01 -0.05 -0.11 -0.04 0.97 0.75 2jk0G1 VAL 86 HG23 -0.01 -0.06 -0.18 -0.04 0.95 0.65 2jk0G1 ASP 87 H -0.01 0.42 0.27 -0.55 8.40 8.53 2jk0G1 ASP 87 HA -0.01 0.16 0.79 -0.75 4.63 4.82 2jk0G1 ASP 87 HB2 -0.01 0.07 0.01 -0.04 2.71 2.74 2jk0G1 ASP 87 HB3 -0.01 0.00 0.10 -0.04 2.70 2.75 2jk0G1 GLY 88 H -0.01 0.20 0.20 -0.55 8.43 8.27 2jk0G1 GLY 88 HA2 -0.01 0.11 0.37 -0.51 4.01 3.97 2jk0G1 GLY 88 HA3 -0.01 0.19 0.37 -0.51 4.01 4.05 2jk0G1 VAL 89 H -0.02 0.61 0.27 -0.55 8.24 8.56 2jk0G1 VAL 89 HA -0.04 0.26 1.08 -0.75 4.13 4.67 2jk0G1 VAL 89 HB -0.04 -0.01 0.11 -0.04 2.12 2.13 2jk0G1 VAL 89 HG13 -0.09 -0.04 -0.21 -0.04 0.97 0.59 2jk0G1 VAL 89 HG23 -0.03 -0.01 -0.12 -0.04 0.95 0.75 2jk0G1 VAL 90 H -0.06 0.60 0.32 -0.55 8.24 8.55 2jk0G1 VAL 90 HA -0.09 0.25 0.87 -0.75 4.13 4.41 2jk0G1 VAL 90 HB -0.06 -0.04 0.04 -0.04 2.12 2.03 2jk0G1 VAL 90 HG13 -0.05 -0.00 -0.18 -0.04 0.97 0.69 2jk0G1 VAL 90 HG23 -0.05 0.02 -0.26 -0.04 0.95 0.62 2jk0G1 ILE 91 H -0.20 0.66 0.19 -0.55 8.25 8.35 2jk0G1 ILE 91 HA -0.18 0.26 1.04 -0.75 4.18 4.55 2jk0G1 ILE 91 HB -1.08 -0.06 -0.04 -0.04 1.89 0.67 2jk0G1 ILE 91 HG12 -0.24 0.06 -0.12 -0.04 1.49 1.15 2jk0G1 ILE 91 HG13 -0.33 -0.04 -0.49 -0.04 1.21 0.31 2jk0G1 ILE 91 HG23 -0.41 -0.00 -0.23 -0.04 0.93 0.24 2jk0G1 ILE 91 HD13 -0.44 -0.00 -0.15 -0.04 0.88 0.24 2jk0G1 THR 92 H -0.07 0.47 0.16 -0.55 8.28 8.30 2jk0G1 THR 92 HA 0.01 0.18 0.70 -0.75 4.39 4.53 2jk0G1 THR 92 HB -0.02 -0.04 0.16 -0.04 4.32 4.38 2jk0G1 THR 92 HG23 -0.00 -0.11 -0.02 -0.04 1.22 1.05 2jk0G1 HIS 93 H 0.12 0.65 0.46 -0.55 8.41 9.10 2jk0G1 HIS 93 HA 0.05 -0.00 0.67 -0.75 4.63 4.59 2jk0G1 HIS 93 HB2 0.18 0.07 -0.42 -0.04 3.26 3.05 2jk0G1 HIS 93 HB3 0.22 0.05 -0.08 -0.04 3.20 3.35 2jk0G1 HIS 93 HD2 0.20 0.09 -0.11 -0.04 6.97 7.10 2jk0G1 HIS 93 HE1 0.04 -0.07 -0.23 -0.04 7.75 7.45 2jk0G1 GLY 94 H -0.44 0.13 0.06 -0.55 8.43 7.64 2jk0G1 GLY 94 HA2 0.06 0.02 0.89 -0.51 4.01 4.47 2jk0G1 GLY 94 HA3 -0.02 -0.18 0.45 -0.51 4.01 3.76 2jk0G1 THR 95 H 0.12 0.13 0.24 -0.55 8.28 8.23 2jk0G1 THR 95 HA 0.31 0.22 0.45 -0.75 4.39 4.61 2jk0G1 THR 95 HB 0.34 0.09 -0.02 -0.04 4.32 4.69 2jk0G1 THR 95 HG23 0.28 0.02 -0.08 -0.04 1.22 1.40 2jk0G1 ASP 96 H 0.10 -0.01 0.02 -0.55 8.40 7.96 2jk0G1 ASP 96 HA 0.06 0.17 0.20 -0.75 4.63 4.31 2jk0G1 ASP 96 HB2 0.05 -0.18 -0.09 -0.04 2.71 2.44 2jk0G1 ASP 96 HB3 0.03 0.15 0.02 -0.04 2.70 2.86 2jk0G1 THR 97 H 0.17 -0.03 -0.60 -0.55 8.28 7.27 2jk0G1 THR 97 HA 0.09 0.19 0.81 -0.75 4.39 4.72 2jk0G1 THR 97 HB 0.13 -0.08 -0.09 -0.04 4.32 4.24 2jk0G1 THR 97 HG23 0.22 -0.03 0.00 -0.04 1.22 1.37 2jk0G1 LEU 98 H 0.20 0.48 -0.17 -0.55 8.37 8.34 2jk0G1 LEU 98 HA -0.19 0.02 0.30 -0.75 4.35 3.72 2jk0G1 LEU 98 HB2 0.25 0.04 0.25 -0.04 1.64 2.14 2jk0G1 LEU 98 HB3 0.04 0.01 -0.15 -0.04 1.64 1.51 2jk0G1 LEU 98 HG 0.10 0.04 -0.21 -0.04 1.64 1.53 2jk0G1 LEU 98 HD13 -0.63 -0.01 -0.23 -0.04 0.93 0.02 2jk0G1 LEU 98 HD23 -0.22 -0.00 -0.08 -0.04 0.89 0.55 2jk0G1 ASP 99 H 0.10 0.03 -0.61 -0.55 8.40 7.36 2jk0G1 ASP 99 HA 0.04 0.20 0.39 -0.75 4.63 4.51 2jk0G1 ASP 99 HB2 0.05 -0.04 0.02 -0.04 2.71 2.70 2jk0G1 ASP 99 HB3 0.04 0.07 0.02 -0.04 2.70 2.79 2jk0G1 GLU 100 H 0.01 0.16 -0.13 -0.55 8.60 8.10 2jk0G1 GLU 100 HA 0.06 0.14 0.50 -0.75 4.29 4.24 2jk0G1 GLU 100 HB2 0.06 0.01 -0.09 -0.04 2.09 2.03 2jk0G1 GLU 100 HB3 0.06 0.03 -0.04 -0.04 1.99 2.00 2jk0G1 GLU 100 HG2 0.04 0.24 0.22 -0.04 2.34 2.79 2jk0G1 GLU 100 HG3 0.05 0.04 0.03 -0.04 2.34 2.42 2jk0G1 SER 101 H -0.12 0.36 -0.02 -0.55 8.46 8.14 2jk0G1 SER 101 HA -0.06 -0.00 0.16 -0.75 4.49 3.83 2jk0G1 SER 101 HB2 -0.66 0.06 -0.01 -0.04 3.95 3.29 2jk0G1 SER 101 HB3 -0.10 -0.01 -0.07 -0.04 3.93 3.72 2jk0G1 PRO 102 HA -0.49 0.05 0.63 -0.51 4.44 4.12 2jk0G1 PRO 102 HB2 -0.29 0.10 -0.07 -0.04 2.28 1.98 2jk0G1 PRO 102 HB3 -0.52 0.01 -0.03 -0.04 2.02 1.45 2jk0G1 PRO 102 HG2 -0.55 0.14 -0.01 -0.04 2.03 1.55 2jk0G1 PRO 102 HG3 -2.05 -0.09 -0.03 -0.04 2.03 -0.18 2jk0G1 PRO 102 HD2 -0.34 0.29 -0.37 -0.04 3.68 3.21 2jk0G1 PRO 102 HD3 -0.70 -0.11 -0.03 -0.04 3.65 2.77 2jk0G1 TYR 103 H -0.01 0.34 -0.28 -0.55 8.29 7.79 2jk0G1 TYR 103 HA -0.08 -0.00 0.38 -0.75 4.56 4.10 2jk0G1 TYR 103 HB2 -0.08 0.30 0.19 -0.04 3.06 3.43 2jk0G1 TYR 103 HB3 -0.06 -0.00 0.14 -0.04 2.98 3.02 2jk0G1 TYR 103 HD2 -0.09 -0.05 -0.08 -0.04 7.15 6.89 2jk0G1 TYR 103 HE2 -0.12 0.00 -0.03 -0.04 6.85 6.66 2jk0G1 PHE 104 H 0.11 0.50 -0.14 -0.55 8.34 8.26 2jk0G1 PHE 104 HA -0.23 0.04 0.38 -0.75 4.62 4.06 2jk0G1 PHE 104 HB2 -0.07 -0.03 -0.01 -0.04 3.15 3.01 2jk0G1 PHE 104 HB3 -0.05 0.15 0.13 -0.04 3.06 3.24 2jk0G1 PHE 104 HD2 -0.04 -0.01 -0.23 -0.04 7.28 6.97 2jk0G1 PHE 104 HE2 -0.02 -0.01 -0.13 -0.04 7.38 7.18 2jk0G1 PHE 104 HZ -0.02 0.03 -0.18 -0.04 7.32 7.10 2jk0G1 LEU 105 H 0.25 0.44 -0.09 -0.55 8.37 8.42 2jk0G1 LEU 105 HA 0.24 -0.02 0.29 -0.75 4.35 4.10 2jk0G1 LEU 105 HB2 0.25 0.11 0.13 -0.04 1.64 2.09 2jk0G1 LEU 105 HB3 0.18 -0.04 0.06 -0.04 1.64 1.80 2jk0G1 LEU 105 HG 0.36 0.11 0.02 -0.04 1.64 2.09 2jk0G1 LEU 105 HD13 0.13 -0.01 -0.08 -0.04 0.93 0.94 2jk0G1 LEU 105 HD23 0.29 -0.03 -0.04 -0.04 0.89 1.06 2jk0G1 ASN 106 H 0.00 0.62 -0.24 -0.55 8.53 8.36 2jk0G1 ASN 106 HA 0.04 -0.08 0.53 -0.75 4.76 4.49 2jk0G1 ASN 106 HB2 0.04 0.06 0.15 -0.04 2.88 3.08 2jk0G1 ASN 106 HB3 -0.09 0.22 0.08 -0.04 2.79 2.96 2jk0G1 ASN 106 HD21 0.09 0.05 0.01 -0.04 7.03 7.13 2jk0G1 ASN 106 HD22 0.21 0.07 -0.06 -0.04 7.74 7.92 2jk0G1 LEU 107 H -0.23 0.59 -0.30 -0.55 8.37 7.89 2jk0G1 LEU 107 HA 0.04 0.03 0.75 -0.75 4.35 4.42 2jk0G1 LEU 107 HB2 -0.47 0.12 0.06 -0.04 1.64 1.31 2jk0G1 LEU 107 HB3 -0.21 -0.09 0.07 -0.04 1.64 1.36 2jk0G1 LEU 107 HG -0.66 0.06 -0.04 -0.04 1.64 0.96 2jk0G1 LEU 107 HD13 -0.93 -0.02 -0.06 -0.04 0.93 -0.13 2jk0G1 LEU 107 HD23 -0.06 -0.02 -0.04 -0.04 0.89 0.73 2jk0G1 THR 108 H -0.05 0.26 -0.22 -0.55 8.28 7.72 2jk0G1 THR 108 HA -0.05 0.30 0.45 -0.75 4.39 4.34 2jk0G1 THR 108 HB 0.03 -0.10 0.01 -0.04 4.32 4.22 2jk0G1 THR 108 HG23 0.11 -0.06 -0.19 -0.04 1.22 1.04 2jk0G1 VAL 109 H 0.05 0.65 0.30 -0.55 8.24 8.69 2jk0G1 VAL 109 HA 0.05 -0.07 0.49 -0.75 4.13 3.84 2jk0G1 VAL 109 HB 0.06 0.07 0.13 -0.04 2.12 2.35 2jk0G1 VAL 109 HG13 0.04 -0.03 -0.12 -0.04 0.97 0.83 2jk0G1 VAL 109 HG23 0.08 -0.04 0.05 -0.04 0.95 1.00 2jk0G1 LYS 110 H 0.03 0.05 0.14 -0.55 8.42 8.09 2jk0G1 LYS 110 HA 0.01 0.32 0.52 -0.75 4.32 4.41 2jk0G1 LYS 110 HB2 0.01 -0.07 0.13 -0.04 1.87 1.90 2jk0G1 LYS 110 HB3 0.00 -0.01 0.20 -0.04 1.79 1.94 2jk0G1 LYS 110 HG2 0.01 0.08 0.04 -0.04 1.46 1.55 2jk0G1 LYS 110 HG3 0.00 -0.10 0.03 -0.04 1.46 1.36 2jk0G1 LYS 110 HD2 0.00 0.13 -0.26 -0.04 1.69 1.52 2jk0G1 LYS 110 HD3 -0.00 0.14 -0.06 -0.04 1.68 1.71 2jk0G1 LYS 110 HE2 -0.01 -0.13 -0.02 -0.04 2.99 2.79 2jk0G1 LYS 110 HE3 -0.01 -0.09 0.02 -0.04 2.99 2.87 2jk0G1 SER 111 H 0.03 0.20 -0.33 -0.55 8.46 7.81 2jk0G1 SER 111 HA 0.01 0.20 0.92 -0.75 4.49 4.86 2jk0G1 SER 111 HB2 0.01 0.13 -0.19 -0.04 3.95 3.85 2jk0G1 SER 111 HB3 0.01 -0.03 -0.09 -0.04 3.93 3.77 2jk0G1 ASP 112 H 0.01 0.21 0.16 -0.55 8.40 8.23 2jk0G1 ASP 112 HA 0.03 0.00 0.50 -0.75 4.63 4.41 2jk0G1 ASP 112 HB2 0.00 0.02 0.15 -0.04 2.71 2.84 2jk0G1 ASP 112 HB3 0.00 0.05 -0.02 -0.04 2.70 2.69 2jk0G1 LYS 113 H 0.01 -0.03 -0.28 -0.55 8.42 7.56 2jk0G1 LYS 113 HA 0.00 0.15 0.47 -0.75 4.32 4.18 2jk0G1 LYS 113 HB2 0.00 -0.15 -0.04 -0.04 1.87 1.65 2jk0G1 LYS 113 HB3 -0.00 0.29 -0.05 -0.04 1.79 1.98 2jk0G1 LYS 113 HG2 -0.00 0.06 0.09 -0.04 1.46 1.56 2jk0G1 LYS 113 HG3 0.00 -0.20 0.06 -0.04 1.46 1.27 2jk0G1 LYS 113 HD2 -0.00 -0.11 0.00 -0.04 1.69 1.54 2jk0G1 LYS 113 HD3 -0.00 0.07 0.01 -0.04 1.68 1.72 2jk0G1 LYS 113 HE2 -0.00 -0.10 0.08 -0.04 2.99 2.93 2jk0G1 LYS 113 HE3 -0.00 -0.14 0.06 -0.04 2.99 2.87 2jk0G1 PRO 114 HA 0.02 0.02 0.26 -0.51 4.44 4.22 2jk0G1 PRO 114 HB2 0.02 -0.08 -0.11 -0.04 2.28 2.06 2jk0G1 PRO 114 HB3 0.02 0.08 -0.09 -0.04 2.02 1.99 2jk0G1 PRO 114 HG2 0.00 -0.00 0.18 -0.04 2.03 2.16 2jk0G1 PRO 114 HG3 0.01 0.19 0.04 -0.04 2.03 2.23 2jk0G1 PRO 114 HD2 0.00 0.42 0.37 -0.04 3.68 4.42 2jk0G1 PRO 114 HD3 0.00 0.08 0.20 -0.04 3.65 3.88 2jk0G1 VAL 115 H 0.03 0.20 0.16 -0.55 8.24 8.09 2jk0G1 VAL 115 HA -0.02 0.23 0.76 -0.75 4.13 4.34 2jk0G1 VAL 115 HB 0.07 -0.10 0.17 -0.04 2.12 2.23 2jk0G1 VAL 115 HG13 -0.04 -0.03 -0.13 -0.04 0.97 0.73 2jk0G1 VAL 115 HG23 0.03 0.04 -0.10 -0.04 0.95 0.87 2jk0G1 VAL 116 H -0.06 0.66 0.20 -0.55 8.24 8.49 2jk0G1 VAL 116 HA 0.07 0.18 0.96 -0.75 4.13 4.58 2jk0G1 VAL 116 HB -0.02 -0.05 0.14 -0.04 2.12 2.15 2jk0G1 VAL 116 HG13 0.02 0.01 -0.14 -0.04 0.97 0.82 2jk0G1 VAL 116 HG23 0.01 0.04 -0.22 -0.04 0.95 0.75 2jk0G1 PHE 117 H 0.27 0.82 0.40 -0.55 8.34 9.28 2jk0G1 PHE 117 HA -0.03 0.08 0.72 -0.75 4.62 4.64 2jk0G1 PHE 117 HB2 -0.09 0.10 0.21 -0.04 3.15 3.33 2jk0G1 PHE 117 HB3 -0.11 -0.06 -0.01 -0.04 3.06 2.83 2jk0G1 PHE 117 HD2 -0.12 0.06 -0.06 -0.04 7.28 7.12 2jk0G1 PHE 117 HE2 -0.19 -0.02 -0.12 -0.04 7.38 7.01 2jk0G1 PHE 117 HZ -0.08 0.03 -0.24 -0.04 7.32 6.99 2jk0G1 VAL 118 H 0.03 0.75 0.43 -0.55 8.24 8.91 2jk0G1 VAL 118 HA 0.02 0.17 0.69 -0.75 4.13 4.26 2jk0G1 VAL 118 HB -0.00 0.06 -0.12 -0.04 2.12 2.02 2jk0G1 VAL 118 HG13 -0.01 -0.01 -0.15 -0.04 0.97 0.76 2jk0G1 VAL 118 HG23 0.02 0.05 -0.07 -0.04 0.95 0.91 2jk0G1 ALA 119 H 0.02 0.31 0.20 -0.55 8.40 8.38 2jk0G1 ALA 119 HA 0.07 0.20 0.70 -0.75 4.34 4.56 2jk0G1 ALA 119 HB3 0.09 -0.05 -0.08 -0.04 1.41 1.33 2jk0G1 ALA 120 H 0.09 0.20 0.21 -0.55 8.40 8.35 2jk0G1 ALA 120 HA 0.08 0.09 0.47 -0.75 4.34 4.22 2jk0G1 ALA 120 HB3 0.04 0.03 -0.05 -0.04 1.41 1.39 2jk0G1 MET 121 H 0.07 0.15 0.16 -0.55 8.47 8.30 2jk0G1 MET 121 HA 0.07 0.11 0.74 -0.75 4.52 4.68 2jk0G1 MET 121 HB2 0.05 -0.04 0.03 -0.04 2.15 2.15 2jk0G1 MET 121 HB3 0.03 0.11 -0.07 -0.04 2.03 2.06 2jk0G1 MET 121 HG2 0.14 -0.10 -0.10 -0.04 2.63 2.52 2jk0G1 MET 121 HG3 0.05 0.25 -0.19 -0.04 2.56 2.63 2jk0G1 MET 121 HE3 -0.02 0.11 -0.16 -0.04 2.10 1.99 2jk0G1 ARG 122 H 0.04 -0.07 0.01 -0.55 8.46 7.88 2jk0G1 ARG 122 HA 0.02 0.27 0.92 -0.75 4.34 4.80 2jk0G1 ARG 122 HB2 0.02 -0.29 0.16 -0.04 1.90 1.75 2jk0G1 ARG 122 HB3 0.01 0.15 0.00 -0.04 1.80 1.92 2jk0G1 ARG 122 HG2 0.01 0.08 -0.02 -0.04 1.67 1.71 2jk0G1 ARG 122 HG3 0.02 -0.16 -0.18 -0.04 1.67 1.31 2jk0G1 ARG 122 HD2 0.01 -0.04 0.08 -0.04 3.22 3.23 2jk0G1 ARG 122 HD3 0.01 0.19 -0.10 -0.04 3.22 3.28 2jk0G1 PRO 123 HA 0.01 0.43 0.54 -0.51 4.44 4.90 2jk0G1 PRO 123 HB2 0.01 -0.15 0.02 -0.04 2.28 2.11 2jk0G1 PRO 123 HB3 0.01 0.12 0.15 -0.04 2.02 2.26 2jk0G1 PRO 123 HG2 0.01 -0.04 0.11 -0.04 2.03 2.06 2jk0G1 PRO 123 HG3 0.01 0.09 0.10 -0.04 2.03 2.18 2jk0G1 PRO 123 HD2 0.01 0.10 0.29 -0.04 3.68 4.05 2jk0G1 PRO 123 HD3 0.01 0.16 0.17 -0.04 3.65 3.95 2jk0G1 ALA 124 H 0.01 0.36 0.15 -0.55 8.40 8.38 2jk0G1 ALA 124 HA 0.01 -0.00 0.42 -0.75 4.34 4.01 2jk0G1 ALA 124 HB3 0.01 0.05 0.08 -0.04 1.41 1.50 2jk0G1 THR 125 H 0.01 -0.02 -0.44 -0.55 8.28 7.27 2jk0G1 THR 125 HA 0.00 0.15 0.44 -0.75 4.39 4.23 2jk0G1 THR 125 HB 0.00 -0.02 -0.08 -0.04 4.32 4.18 2jk0G1 THR 125 HG23 0.00 0.00 0.03 -0.04 1.22 1.21 2jk0G1 ALA 126 H 0.01 0.31 -0.31 -0.55 8.40 7.85 2jk0G1 ALA 126 HA 0.00 -0.03 0.37 -0.75 4.34 3.93 2jk0G1 ALA 126 HB3 0.01 0.01 0.01 -0.04 1.41 1.39 2jk0G1 ILE 127 H 0.00 0.06 0.14 -0.55 8.25 7.90 2jk0G1 ILE 127 HA 0.00 0.07 0.62 -0.75 4.18 4.12 2jk0G1 ILE 127 HB 0.00 -0.04 0.18 -0.04 1.89 1.99 2jk0G1 ILE 127 HG12 -0.00 0.00 0.08 -0.04 1.49 1.53 2jk0G1 ILE 127 HG13 -0.00 0.06 0.07 -0.04 1.21 1.30 2jk0G1 ILE 127 HG23 -0.00 -0.01 -0.11 -0.04 0.93 0.77 2jk0G1 ILE 127 HD13 -0.00 -0.00 0.04 -0.04 0.88 0.88 2jk0G1 SER 128 H -0.00 0.14 0.16 -0.55 8.46 8.21 2jk0G1 SER 128 HA -0.00 0.04 0.33 -0.75 4.49 4.10 2jk0G1 SER 128 HB2 0.00 0.13 -0.00 -0.04 3.95 4.04 2jk0G1 SER 128 HB3 0.00 -0.03 0.14 -0.04 3.93 4.00 2jk0G1 ALA 129 H 0.00 0.23 -0.14 -0.55 8.40 7.94 2jk0G1 ALA 129 HA 0.01 -0.02 0.41 -0.75 4.34 3.99 2jk0G1 ALA 129 HB3 0.01 0.05 -0.03 -0.04 1.41 1.40 2jk0G1 ASP 130 H 0.02 0.07 0.22 -0.55 8.40 8.16 2jk0G1 ASP 130 HA 0.02 0.16 0.49 -0.75 4.63 4.54 2jk0G1 ASP 130 HB2 0.03 -0.04 0.18 -0.04 2.71 2.84 2jk0G1 ASP 130 HB3 0.03 0.11 0.16 -0.04 2.70 2.95 2jk0G1 GLY 131 H 0.02 0.13 -0.10 -0.55 8.43 7.94 2jk0G1 GLY 131 HA2 0.03 0.05 0.37 -0.51 4.01 3.95 2jk0G1 GLY 131 HA3 0.02 0.15 0.28 -0.51 4.01 3.95 2jk0G1 PRO 132 HA 0.04 0.10 0.31 -0.51 4.44 4.37 2jk0G1 PRO 132 HB2 0.01 -0.02 0.08 -0.04 2.28 2.31 2jk0G1 PRO 132 HB3 0.02 0.11 0.04 -0.04 2.02 2.15 2jk0G1 PRO 132 HG2 0.01 0.09 0.06 -0.04 2.03 2.15 2jk0G1 PRO 132 HG3 0.01 0.09 0.04 -0.04 2.03 2.13 2jk0G1 PRO 132 HD2 0.01 0.31 -0.21 -0.04 3.68 3.75 2jk0G1 PRO 132 HD3 0.02 0.04 0.01 -0.04 3.65 3.68 2jk0G1 MET 133 H 0.02 0.20 -0.14 -0.55 8.47 8.01 2jk0G1 MET 133 HA 0.05 0.05 0.33 -0.75 4.52 4.19 2jk0G1 MET 133 HB2 -0.01 0.04 0.11 -0.04 2.15 2.25 2jk0G1 MET 133 HB3 0.02 0.01 0.14 -0.04 2.03 2.15 2jk0G1 MET 133 HG2 -0.01 0.02 -0.00 -0.04 2.63 2.59 2jk0G1 MET 133 HG3 0.03 -0.05 -0.14 -0.04 2.56 2.36 2jk0G1 MET 133 HE3 -0.02 0.00 -0.04 -0.04 2.10 2.01 2jk0G1 ASN 134 H 0.04 0.57 0.02 -0.55 8.53 8.61 2jk0G1 ASN 134 HA 0.03 -0.13 0.41 -0.75 4.76 4.32 2jk0G1 ASN 134 HB2 0.04 0.17 0.25 -0.04 2.88 3.29 2jk0G1 ASN 134 HB3 0.03 0.05 0.18 -0.04 2.79 3.01 2jk0G1 ASN 134 HD21 0.06 -0.17 0.10 -0.04 7.03 6.98 2jk0G1 ASN 134 HD22 0.05 0.41 0.20 -0.04 7.74 8.36 2jk0G1 LEU 135 H 0.05 0.68 -0.12 -0.55 8.37 8.43 2jk0G1 LEU 135 HA 0.01 -0.04 0.40 -0.75 4.35 3.97 2jk0G1 LEU 135 HB2 0.02 -0.04 0.04 -0.04 1.64 1.62 2jk0G1 LEU 135 HB3 0.05 0.17 0.12 -0.04 1.64 1.93 2jk0G1 LEU 135 HG 0.02 0.02 -0.25 -0.04 1.64 1.38 2jk0G1 LEU 135 HD13 -0.01 -0.04 -0.04 -0.04 0.93 0.80 2jk0G1 LEU 135 HD23 0.01 0.00 -0.15 -0.04 0.89 0.71 2jk0G1 TYR 136 H 0.16 0.62 -0.02 -0.55 8.29 8.50 2jk0G1 TYR 136 HA -0.01 0.02 0.42 -0.75 4.56 4.23 2jk0G1 TYR 136 HB2 -0.00 -0.02 0.04 -0.04 3.06 3.04 2jk0G1 TYR 136 HB3 -0.00 0.07 0.15 -0.04 2.98 3.15 2jk0G1 TYR 136 HD2 -0.01 -0.04 -0.28 -0.04 7.15 6.79 2jk0G1 TYR 136 HE2 -0.00 0.04 -0.13 -0.04 6.85 6.72 2jk0G1 GLY 137 H 0.14 0.64 -0.09 -0.55 8.43 8.58 2jk0G1 GLY 137 HA2 0.03 0.02 0.42 -0.51 4.01 3.98 2jk0G1 GLY 137 HA3 0.05 -0.02 0.23 -0.51 4.01 3.76 2jk0G1 ALA 138 H 0.00 0.59 -0.08 -0.55 8.40 8.37 2jk0G1 ALA 138 HA -0.01 -0.03 0.24 -0.75 4.34 3.79 2jk0G1 ALA 138 HB3 -0.02 0.03 0.04 -0.04 1.41 1.43 2jk0G1 VAL 139 H -0.07 0.62 -0.11 -0.55 8.24 8.13 2jk0G1 VAL 139 HA -0.06 0.02 0.35 -0.75 4.13 3.68 2jk0G1 VAL 139 HB -0.16 0.10 0.08 -0.04 2.12 2.10 2jk0G1 VAL 139 HG13 -0.11 0.01 -0.22 -0.04 0.97 0.62 2jk0G1 VAL 139 HG23 -0.05 -0.00 -0.04 -0.04 0.95 0.81 2jk0G1 LYS 140 H -0.21 0.43 -0.30 -0.55 8.42 7.79 2jk0G1 LYS 140 HA -0.15 0.04 0.24 -0.75 4.32 3.69 2jk0G1 LYS 140 HB2 -0.35 0.18 0.13 -0.04 1.87 1.78 2jk0G1 LYS 140 HB3 -0.10 0.05 0.08 -0.04 1.79 1.78 2jk0G1 LYS 140 HG2 -0.05 -0.04 -0.20 -0.04 1.46 1.12 2jk0G1 LYS 140 HG3 -0.11 0.03 -0.04 -0.04 1.46 1.30 2jk0G1 LYS 140 HD2 0.05 -0.03 -0.15 -0.04 1.69 1.53 2jk0G1 LYS 140 HD3 0.03 -0.09 -0.29 -0.04 1.68 1.29 2jk0G1 LYS 140 HE2 0.09 0.01 -0.08 -0.04 2.99 2.96 2jk0G1 LYS 140 HE3 0.18 -0.14 -0.15 -0.04 2.99 2.84 2jk0G1 VAL 141 H -0.05 0.64 -0.27 -0.55 8.24 8.01 2jk0G1 VAL 141 HA 0.02 -0.02 0.41 -0.75 4.13 3.78 2jk0G1 VAL 141 HB -0.00 0.13 0.06 -0.04 2.12 2.27 2jk0G1 VAL 141 HG13 0.09 -0.02 -0.20 -0.04 0.97 0.79 2jk0G1 VAL 141 HG23 -0.03 -0.00 -0.14 -0.04 0.95 0.74 2jk0G1 ALA 142 H -0.02 0.65 -0.06 -0.55 8.40 8.41 2jk0G1 ALA 142 HA 0.00 -0.00 0.27 -0.75 4.34 3.86 2jk0G1 ALA 142 HB3 -0.03 -0.03 -0.13 -0.04 1.41 1.18 2jk0G1 ALA 143 H -0.03 0.35 -0.70 -0.55 8.40 7.46 2jk0G1 ALA 143 HA -0.02 0.02 0.30 -0.75 4.34 3.88 2jk0G1 ALA 143 HB3 -0.05 -0.01 -0.10 -0.04 1.41 1.21 2jk0G1 ASP 144 H 0.00 0.36 -0.32 -0.55 8.40 7.90 2jk0G1 ASP 144 HA 0.01 0.04 0.77 -0.75 4.63 4.70 2jk0G1 ASP 144 HB2 0.02 0.19 0.15 -0.04 2.71 3.04 2jk0G1 ASP 144 HB3 0.08 0.00 0.15 -0.04 2.70 2.90 2jk0G1 LYS 145 H 0.01 0.17 0.19 -0.55 8.42 8.23 2jk0G1 LYS 145 HA -0.00 0.18 0.45 -0.75 4.32 4.19 2jk0G1 LYS 145 HB2 -0.00 -0.05 0.15 -0.04 1.87 1.93 2jk0G1 LYS 145 HB3 -0.01 0.00 0.05 -0.04 1.79 1.80 2jk0G1 LYS 145 HG2 -0.00 0.06 0.06 -0.04 1.46 1.53 2jk0G1 LYS 145 HG3 -0.00 0.07 0.08 -0.04 1.46 1.56 2jk0G1 LYS 145 HD2 -0.00 -0.04 0.05 -0.04 1.69 1.65 2jk0G1 LYS 145 HD3 -0.01 -0.02 0.04 -0.04 1.68 1.65 2jk0G1 LYS 145 HE2 -0.00 -0.04 0.02 -0.04 2.99 2.93 2jk0G1 LYS 145 HE3 -0.01 0.03 0.03 -0.04 2.99 3.00 2jk0G1 ASN 146 H 0.02 0.04 -0.17 -0.55 8.53 7.87 2jk0G1 ASN 146 HA -0.03 0.09 0.39 -0.75 4.76 4.46 2jk0G1 ASN 146 HB2 0.06 -0.07 0.06 -0.04 2.88 2.90 2jk0G1 ASN 146 HB3 0.06 0.03 -0.12 -0.04 2.79 2.72 2jk0G1 ASN 146 HD21 0.00 -0.01 0.00 -0.04 7.03 6.98 2jk0G1 ASN 146 HD22 0.01 0.00 -0.03 -0.04 7.74 7.69 2jk0G1 SER 147 H 0.04 0.30 -0.51 -0.55 8.46 7.74 2jk0G1 SER 147 HA -0.11 -0.03 0.29 -0.75 4.49 3.89 2jk0G1 SER 147 HB2 0.05 0.34 0.07 -0.04 3.95 4.38 2jk0G1 SER 147 HB3 0.09 -0.16 -0.02 -0.04 3.93 3.80 2jk0G1 ARG 148 H -0.03 0.34 -0.45 -0.55 8.46 7.76 2jk0G1 ARG 148 HA -0.01 0.08 0.48 -0.75 4.34 4.14 2jk0G1 ARG 148 HB2 -0.02 0.10 0.11 -0.04 1.90 2.05 2jk0G1 ARG 148 HB3 -0.01 -0.12 -0.01 -0.04 1.80 1.62 2jk0G1 ARG 148 HG2 -0.00 -0.04 0.01 -0.04 1.67 1.60 2jk0G1 ARG 148 HG3 -0.01 0.04 0.14 -0.04 1.67 1.81 2jk0G1 ARG 148 HD2 -0.01 -0.01 0.05 -0.04 3.22 3.21 2jk0G1 ARG 148 HD3 -0.01 -0.11 -0.03 -0.04 3.22 3.03 2jk0G1 GLY 149 H 0.01 0.51 0.33 -0.55 8.43 8.73 2jk0G1 GLY 149 HA2 0.08 -0.09 0.37 -0.51 4.01 3.86 2jk0G1 GLY 149 HA3 0.02 0.04 0.33 -0.51 4.01 3.89 2jk0G1 ARG 150 H -0.03 0.17 -0.03 -0.55 8.46 8.02 2jk0G1 ARG 150 HA -0.09 0.16 0.82 -0.75 4.34 4.48 2jk0G1 ARG 150 HB2 -0.08 0.18 0.03 -0.04 1.90 2.00 2jk0G1 ARG 150 HB3 -0.09 -0.17 0.08 -0.04 1.80 1.58 2jk0G1 ARG 150 HG2 -0.17 -0.06 -0.13 -0.04 1.67 1.27 2jk0G1 ARG 150 HG3 -0.18 0.38 -0.37 -0.04 1.67 1.45 2jk0G1 ARG 150 HD2 -0.50 -0.04 -0.04 -0.04 3.22 2.59 2jk0G1 ARG 150 HD3 -0.46 -0.13 -0.05 -0.04 3.22 2.54 2jk0G1 GLY 151 H -0.12 -0.00 -0.04 -0.55 8.43 7.72 2jk0G1 GLY 151 HA2 -0.23 0.01 0.31 -0.51 4.01 3.60 2jk0G1 GLY 151 HA3 -0.47 0.13 0.76 -0.51 4.01 3.92 2jk0G1 VAL 152 H -0.02 0.07 0.18 -0.55 8.24 7.92 2jk0G1 VAL 152 HA 0.06 0.16 0.67 -0.75 4.13 4.26 2jk0G1 VAL 152 HB 0.05 -0.05 0.17 -0.04 2.12 2.24 2jk0G1 VAL 152 HG13 0.24 0.04 0.02 -0.04 0.97 1.23 2jk0G1 VAL 152 HG23 0.09 -0.02 -0.06 -0.04 0.95 0.92 2jk0G1 LEU 153 H 0.09 0.55 0.43 -0.55 8.37 8.89 2jk0G1 LEU 153 HA 0.05 0.31 0.92 -0.75 4.35 4.88 2jk0G1 LEU 153 HB2 0.07 -0.07 0.00 -0.04 1.64 1.60 2jk0G1 LEU 153 HB3 0.08 -0.07 -0.01 -0.04 1.64 1.60 2jk0G1 LEU 153 HG 0.04 0.04 0.00 -0.04 1.64 1.68 2jk0G1 LEU 153 HD13 0.10 0.02 -0.10 -0.04 0.93 0.91 2jk0G1 LEU 153 HD23 0.05 0.00 -0.33 -0.04 0.89 0.58 2jk0G1 VAL 154 H 0.05 0.41 0.22 -0.55 8.24 8.37 2jk0G1 VAL 154 HA 0.05 0.17 0.87 -0.75 4.13 4.46 2jk0G1 VAL 154 HB -0.03 -0.05 -0.01 -0.04 2.12 1.99 2jk0G1 VAL 154 HG13 -0.27 -0.02 -0.31 -0.04 0.97 0.33 2jk0G1 VAL 154 HG23 -0.10 0.01 -0.31 -0.04 0.95 0.51 2jk0G1 VAL 155 H -0.00 0.65 0.18 -0.55 8.24 8.52 2jk0G1 VAL 155 HA -0.02 0.51 1.05 -0.75 4.13 4.91 2jk0G1 VAL 155 HB 0.00 0.03 0.16 -0.04 2.12 2.27 2jk0G1 VAL 155 HG13 -0.01 -0.05 -0.27 -0.04 0.97 0.60 2jk0G1 VAL 155 HG23 0.01 0.01 -0.23 -0.04 0.95 0.70 2jk0G1 LEU 156 H -0.03 0.60 0.27 -0.55 8.37 8.67 2jk0G1 LEU 156 HA 0.01 0.05 0.46 -0.75 4.35 4.12 2jk0G1 LEU 156 HB2 0.09 0.03 -0.00 -0.04 1.64 1.71 2jk0G1 LEU 156 HB3 0.11 -0.01 0.05 -0.04 1.64 1.76 2jk0G1 LEU 156 HG -0.00 0.14 0.12 -0.04 1.64 1.86 2jk0G1 LEU 156 HD13 -0.37 -0.03 -0.44 -0.04 0.93 0.05 2jk0G1 LEU 156 HD23 0.20 -0.05 -0.19 -0.04 0.89 0.81 2jk0G1 ASN 157 H 0.02 0.13 0.16 -0.55 8.53 8.30 2jk0G1 ASN 157 HA 0.00 0.02 0.34 -0.75 4.76 4.37 2jk0G1 ASN 157 HB2 0.05 0.06 -0.10 -0.04 2.88 2.85 2jk0G1 ASN 157 HB3 -0.00 0.17 0.07 -0.04 2.79 2.99 2jk0G1 ASN 157 HD21 0.00 -0.02 -0.01 -0.04 7.03 6.96 2jk0G1 ASN 157 HD22 -0.00 0.08 0.05 -0.04 7.74 7.82 2jk0G1 ASP 158 H -0.02 0.01 -0.17 -0.55 8.40 7.68 2jk0G1 ASP 158 HA -0.03 -0.00 0.25 -0.75 4.63 4.09 2jk0G1 ASP 158 HB2 -0.06 0.17 0.13 -0.04 2.71 2.92 2jk0G1 ASP 158 HB3 -0.03 0.17 0.29 -0.04 2.70 3.09 2jk0G1 ARG 159 H -0.12 0.34 -0.43 -0.55 8.46 7.70 2jk0G1 ARG 159 HA -0.26 0.21 1.08 -0.75 4.34 4.61 2jk0G1 ARG 159 HB2 -0.41 -0.00 0.07 -0.04 1.90 1.51 2jk0G1 ARG 159 HB3 -1.30 0.01 0.03 -0.04 1.80 0.49 2jk0G1 ARG 159 HG2 -0.31 0.12 -0.08 -0.04 1.67 1.37 2jk0G1 ARG 159 HG3 -0.93 -0.01 0.00 -0.04 1.67 0.70 2jk0G1 ARG 159 HD2 -0.54 0.03 0.03 -0.04 3.22 2.70 2jk0G1 ARG 159 HD3 -0.25 0.05 -0.25 -0.04 3.22 2.73 2jk0G1 ILE 160 H -0.06 0.51 0.06 -0.55 8.25 8.22 2jk0G1 ILE 160 HA 0.02 0.24 0.84 -0.75 4.18 4.52 2jk0G1 ILE 160 HB 0.03 -0.14 0.04 -0.04 1.89 1.78 2jk0G1 ILE 160 HG12 -0.03 0.04 -0.26 -0.04 1.49 1.19 2jk0G1 ILE 160 HG13 -0.07 -0.10 -0.41 -0.04 1.21 0.59 2jk0G1 ILE 160 HG23 0.10 0.02 -0.17 -0.04 0.93 0.84 2jk0G1 ILE 160 HD13 -0.24 0.00 -0.25 -0.04 0.88 0.34 2jk0G1 GLY 161 H 0.09 0.76 0.29 -0.55 8.43 9.01 2jk0G1 GLY 161 HA2 0.25 0.04 0.92 -0.51 4.01 4.71 2jk0G1 GLY 161 HA3 0.19 0.04 0.29 -0.51 4.01 4.03 2jk0G1 SER 162 H 0.14 0.16 0.19 -0.55 8.46 8.41 2jk0G1 SER 162 HA 0.00 0.36 0.89 -0.75 4.49 4.99 2jk0G1 SER 162 HB2 -0.01 0.16 0.12 -0.04 3.95 4.18 2jk0G1 SER 162 HB3 0.03 -0.02 0.15 -0.04 3.93 4.04 2jk0G1 ALA 163 H -0.03 0.66 0.21 -0.55 8.40 8.69 2jk0G1 ALA 163 HA -0.05 0.06 0.29 -0.75 4.34 3.88 2jk0G1 ALA 163 HB3 -0.00 -0.02 -0.20 -0.04 1.41 1.14 2jk0G1 ARG 164 H -0.20 -0.03 -0.55 -0.55 8.46 7.12 2jk0G1 ARG 164 HA -0.41 0.18 0.67 -0.75 4.34 4.02 2jk0G1 ARG 164 HB2 -0.07 0.03 -0.01 -0.04 1.90 1.81 2jk0G1 ARG 164 HB3 -0.55 -0.06 0.01 -0.04 1.80 1.16 2jk0G1 ARG 164 HG2 -0.41 0.03 -0.07 -0.04 1.67 1.17 2jk0G1 ARG 164 HG3 -0.95 -0.01 -0.19 -0.04 1.67 0.48 2jk0G1 ARG 164 HD2 -0.48 -0.05 0.10 -0.04 3.22 2.75 2jk0G1 ARG 164 HD3 0.01 -0.08 0.01 -0.04 3.22 3.11 2jk0G1 PHE 165 H -0.10 0.17 -0.15 -0.55 8.34 7.70 2jk0G1 PHE 165 HA -0.07 0.23 0.94 -0.75 4.62 4.97 2jk0G1 PHE 165 HB2 -0.03 -0.05 0.04 -0.04 3.15 3.07 2jk0G1 PHE 165 HB3 -0.05 -0.07 -0.02 -0.04 3.06 2.88 2jk0G1 PHE 165 HD2 -0.03 0.07 -0.09 -0.04 7.28 7.18 2jk0G1 PHE 165 HE2 -0.01 0.03 -0.09 -0.04 7.38 7.27 2jk0G1 PHE 165 HZ 0.00 0.04 -0.09 -0.04 7.32 7.23 2jk0G1 ILE 166 H 0.09 0.51 0.16 -0.55 8.25 8.46 2jk0G1 ILE 166 HA 0.13 0.07 0.26 -0.75 4.18 3.89 2jk0G1 ILE 166 HB 0.11 -0.06 -0.01 -0.04 1.89 1.90 2jk0G1 ILE 166 HG12 0.14 -0.00 -0.16 -0.04 1.49 1.41 2jk0G1 ILE 166 HG13 0.32 -0.09 -0.14 -0.04 1.21 1.26 2jk0G1 ILE 166 HG23 0.01 -0.00 -0.31 -0.04 0.93 0.58 2jk0G1 ILE 166 HD13 0.30 0.03 -0.32 -0.04 0.88 0.85 2jk0G1 SER 167 H 0.24 0.19 0.23 -0.55 8.46 8.57 2jk0G1 SER 167 HA 0.21 -0.00 0.50 -0.75 4.49 4.44 2jk0G1 SER 167 HB2 0.06 0.13 -0.11 -0.04 3.95 3.99 2jk0G1 SER 167 HB3 0.06 0.15 -0.08 -0.04 3.93 4.01 2jk0G1 LYS 168 H 0.10 0.11 0.03 -0.55 8.42 8.11 2jk0G1 LYS 168 HA -0.80 0.06 0.52 -0.75 4.32 3.35 2jk0G1 LYS 168 HB2 -0.10 -0.04 0.04 -0.04 1.87 1.73 2jk0G1 LYS 168 HB3 -0.12 0.03 0.10 -0.04 1.79 1.76 2jk0G1 LYS 168 HG2 -0.33 0.17 -0.14 -0.04 1.46 1.12 2jk0G1 LYS 168 HG3 -0.99 -0.07 -0.09 -0.04 1.46 0.26 2jk0G1 LYS 168 HD2 0.02 -0.13 -0.26 -0.04 1.69 1.28 2jk0G1 LYS 168 HD3 -0.05 0.02 -0.14 -0.04 1.68 1.47 2jk0G1 LYS 168 HE2 -0.09 0.21 -0.08 -0.04 2.99 2.98 2jk0G1 LYS 168 HE3 -0.10 -0.05 -0.09 -0.04 2.99 2.70 2jk0G1 THR 169 H -0.19 0.70 0.38 -0.55 8.28 8.62 2jk0G1 THR 169 HA -0.06 0.14 0.63 -0.75 4.39 4.35 2jk0G1 THR 169 HB -0.03 -0.04 0.08 -0.04 4.32 4.28 2jk0G1 THR 169 HG23 -0.02 0.03 0.04 -0.04 1.22 1.24 2jk0G1 ASN 170 H -0.15 0.15 0.09 -0.55 8.53 8.07 2jk0G1 ASN 170 HA -0.06 0.23 0.91 -0.75 4.76 5.09 2jk0G1 ASN 170 HB2 -0.05 0.14 -0.04 -0.04 2.88 2.89 2jk0G1 ASN 170 HB3 -0.07 -0.09 0.06 -0.04 2.79 2.65 2jk0G1 ASN 170 HD21 -0.02 0.02 0.00 -0.04 7.03 6.99 2jk0G1 ASN 170 HD22 -0.02 0.10 -0.01 -0.04 7.74 7.77 2jk0G1 ALA 171 H -0.05 0.20 0.10 -0.55 8.40 8.12 2jk0G1 ALA 171 HA -0.05 0.10 0.26 -0.75 4.34 3.89 2jk0G1 ALA 171 HB3 -0.03 0.02 0.09 -0.04 1.41 1.45 2jk0G1 SER 172 H -0.04 -0.10 -0.31 -0.55 8.46 7.46 2jk0G1 SER 172 HA -0.02 0.18 0.78 -0.75 4.49 4.68 2jk0G1 SER 172 HB2 -0.01 0.02 0.13 -0.04 3.95 4.05 2jk0G1 SER 172 HB3 -0.02 0.09 -0.22 -0.04 3.93 3.74 2jk0G1 THR 173 H -0.04 0.04 -0.03 -0.55 8.28 7.69 2jk0G1 THR 173 HA -0.01 0.24 0.80 -0.75 4.39 4.67 2jk0G1 THR 173 HB -0.01 -0.05 0.02 -0.04 4.32 4.24 2jk0G1 THR 173 HG23 -0.01 0.02 -0.05 -0.04 1.22 1.13 2jk0G1 LEU 174 H 0.01 0.21 0.16 -0.55 8.37 8.21 2jk0G1 LEU 174 HA 0.04 0.01 0.44 -0.75 4.35 4.09 2jk0G1 LEU 174 HB2 0.02 0.01 0.15 -0.04 1.64 1.78 2jk0G1 LEU 174 HB3 0.03 0.03 0.04 -0.04 1.64 1.70 2jk0G1 LEU 174 HG 0.01 0.04 0.11 -0.04 1.64 1.76 2jk0G1 LEU 174 HD13 0.01 0.04 0.06 -0.04 0.93 1.00 2jk0G1 LEU 174 HD23 0.03 -0.01 0.09 -0.04 0.89 0.96 2jk0G1 ASP 175 H 0.02 0.06 -0.22 -0.55 8.40 7.71 2jk0G1 ASP 175 HA 0.06 0.21 0.62 -0.75 4.63 4.77 2jk0G1 ASP 175 HB2 0.05 0.10 0.14 -0.04 2.71 2.95 2jk0G1 ASP 175 HB3 0.03 0.02 0.05 -0.04 2.70 2.76 2jk0G1 THR 176 H 0.00 0.35 -0.65 -0.55 8.28 7.43 2jk0G1 THR 176 HA -0.08 0.01 0.12 -0.75 4.39 3.69 2jk0G1 THR 176 HB -0.13 0.03 0.10 -0.04 4.32 4.27 2jk0G1 THR 176 HG23 -0.48 0.01 -0.09 -0.04 1.22 0.62 2jk0G1 PHE 177 H 0.18 0.10 -0.35 -0.55 8.34 7.72 2jk0G1 PHE 177 HA 0.07 0.32 0.75 -0.75 4.62 5.00 2jk0G1 PHE 177 HB2 0.08 0.01 0.00 -0.04 3.15 3.20 2jk0G1 PHE 177 HB3 0.12 0.03 -0.13 -0.04 3.06 3.03 2jk0G1 PHE 177 HD2 0.04 0.02 -0.32 -0.04 7.28 6.98 2jk0G1 PHE 177 HE2 0.03 -0.07 -0.21 -0.04 7.38 7.10 2jk0G1 PHE 177 HZ 0.04 -0.04 -0.05 -0.04 7.32 7.23 2jk0G1 LYS 178 H 0.16 0.47 0.40 -0.55 8.42 8.89 2jk0G1 LYS 178 HA 0.06 0.12 0.75 -0.75 4.32 4.49 2jk0G1 LYS 178 HB2 0.02 0.02 -0.02 -0.04 1.87 1.85 2jk0G1 LYS 178 HB3 -0.02 -0.04 -0.12 -0.04 1.79 1.58 2jk0G1 LYS 178 HG2 0.16 0.02 -0.13 -0.04 1.46 1.47 2jk0G1 LYS 178 HG3 0.10 0.10 -0.55 -0.04 1.46 1.08 2jk0G1 LYS 178 HD2 0.01 -0.03 -0.10 -0.04 1.69 1.53 2jk0G1 LYS 178 HD3 0.03 -0.02 -0.08 -0.04 1.68 1.56 2jk0G1 LYS 178 HE2 0.01 0.00 -0.12 -0.04 2.99 2.84 2jk0G1 LYS 178 HE3 0.01 -0.07 -0.08 -0.04 2.99 2.81 2jk0G1 ALA 179 H -0.32 0.21 -0.03 -0.55 8.40 7.71 2jk0G1 ALA 179 HA -0.06 0.27 0.54 -0.75 4.34 4.33 2jk0G1 ALA 179 HB3 -0.09 0.08 0.02 -0.04 1.41 1.38 2jk0G1 PRO 180 HA -0.08 0.08 0.39 -0.51 4.44 4.32 2jk0G1 PRO 180 HB2 -0.06 0.06 -0.06 -0.04 2.28 2.18 2jk0G1 PRO 180 HB3 -0.05 0.04 0.07 -0.04 2.02 2.04 2jk0G1 PRO 180 HG2 -0.06 0.03 0.05 -0.04 2.03 2.01 2jk0G1 PRO 180 HG3 -0.04 0.09 0.01 -0.04 2.03 2.05 2jk0G1 PRO 180 HD2 -0.05 0.25 0.11 -0.04 3.68 3.94 2jk0G1 PRO 180 HD3 -0.05 0.12 -0.06 -0.04 3.65 3.61 2jk0G1 GLU 181 H -0.12 0.08 -0.25 -0.55 8.60 7.76 2jk0G1 GLU 181 HA -0.10 0.17 0.50 -0.75 4.29 4.11 2jk0G1 GLU 181 HB2 -0.16 0.02 0.01 -0.04 2.09 1.92 2jk0G1 GLU 181 HB3 -0.13 0.05 0.05 -0.04 1.99 1.92 2jk0G1 GLU 181 HG2 -0.08 -0.06 -0.05 -0.04 2.34 2.11 2jk0G1 GLU 181 HG3 -0.07 -0.06 -0.00 -0.04 2.34 2.16 2jk0G1 GLU 182 H -0.22 0.00 -0.20 -0.55 8.60 7.64 2jk0G1 GLU 182 HA -0.28 0.26 0.93 -0.75 4.29 4.44 2jk0G1 GLU 182 HB2 -0.48 -0.03 0.01 -0.04 2.09 1.55 2jk0G1 GLU 182 HB3 -0.74 0.01 -0.01 -0.04 1.99 1.20 2jk0G1 GLU 182 HG2 -2.41 0.03 -0.08 -0.04 2.34 -0.16 2jk0G1 GLU 182 HG3 -0.64 0.11 -0.29 -0.04 2.34 1.48 2jk0G1 GLY 183 H -0.21 0.54 0.13 -0.55 8.43 8.34 2jk0G1 GLY 183 HA2 -0.32 0.00 0.30 -0.51 4.01 3.48 2jk0G1 GLY 183 HA3 -0.11 0.10 0.39 -0.51 4.01 3.88 2jk0G1 TYR 184 H 0.06 0.19 0.16 -0.55 8.29 8.15 2jk0G1 TYR 184 HA 0.08 0.05 0.97 -0.75 4.56 4.91 2jk0G1 TYR 184 HB2 0.04 0.00 0.09 -0.04 3.06 3.15 2jk0G1 TYR 184 HB3 0.05 0.18 0.09 -0.04 2.98 3.26 2jk0G1 TYR 184 HD2 0.04 -0.01 -0.11 -0.04 7.15 7.03 2jk0G1 TYR 184 HE2 0.06 0.04 -0.10 -0.04 6.85 6.81 2jk0G1 LEU 185 H 0.21 0.14 0.30 -0.55 8.37 8.47 2jk0G1 LEU 185 HA 0.17 0.04 0.41 -0.75 4.35 4.21 2jk0G1 LEU 185 HB2 0.20 0.00 0.01 -0.04 1.64 1.81 2jk0G1 LEU 185 HB3 0.23 0.12 0.04 -0.04 1.64 1.99 2jk0G1 LEU 185 HG 0.14 -0.22 -0.02 -0.04 1.64 1.50 2jk0G1 LEU 185 HD13 0.05 0.02 -0.11 -0.04 0.93 0.85 2jk0G1 LEU 185 HD23 0.12 0.01 -0.16 -0.04 0.89 0.82 2jk0G1 GLY 186 H 0.13 0.33 0.10 -0.55 8.43 8.44 2jk0G1 GLY 186 HA2 0.07 0.11 0.72 -0.51 4.01 4.40 2jk0G1 GLY 186 HA3 -0.19 0.01 0.43 -0.51 4.01 3.75 2jk0G1 VAL 187 H -0.08 0.65 0.35 -0.55 8.24 8.61 2jk0G1 VAL 187 HA -0.08 0.12 0.86 -0.75 4.13 4.28 2jk0G1 VAL 187 HB -0.01 0.01 -0.03 -0.04 2.12 2.05 2jk0G1 VAL 187 HG13 -0.07 -0.01 -0.16 -0.04 0.97 0.69 2jk0G1 VAL 187 HG23 -0.06 0.05 -0.03 -0.04 0.95 0.87 2jk0G1 ILE 188 H -0.04 0.61 0.20 -0.55 8.25 8.47 2jk0G1 ILE 188 HA 0.06 0.33 1.01 -0.75 4.18 4.83 2jk0G1 ILE 188 HB 0.01 -0.11 0.14 -0.04 1.89 1.89 2jk0G1 ILE 188 HG12 -0.06 0.07 -0.26 -0.04 1.49 1.21 2jk0G1 ILE 188 HG13 -0.05 -0.05 -0.28 -0.04 1.21 0.79 2jk0G1 ILE 188 HG23 0.05 -0.01 -0.22 -0.04 0.93 0.71 2jk0G1 ILE 188 HD13 -0.01 -0.01 -0.19 -0.04 0.88 0.62 2jk0G1 ILE 189 H 0.21 0.58 0.21 -0.55 8.25 8.71 2jk0G1 ILE 189 HA 0.02 0.11 1.00 -0.75 4.18 4.56 2jk0G1 ILE 189 HB -0.11 0.06 0.00 -0.04 1.89 1.80 2jk0G1 ILE 189 HG12 -0.05 -0.08 -0.51 -0.04 1.49 0.81 2jk0G1 ILE 189 HG13 -0.13 0.02 -0.12 -0.04 1.21 0.94 2jk0G1 ILE 189 HG23 -0.05 -0.00 -0.12 -0.04 0.93 0.71 2jk0G1 ILE 189 HD13 -0.04 0.03 -0.03 -0.04 0.88 0.79 2jk0G1 GLY 190 H 0.03 0.16 0.15 -0.55 8.43 8.21 2jk0G1 GLY 190 HA2 0.02 0.02 0.32 -0.51 4.01 3.86 2jk0G1 GLY 190 HA3 0.06 0.09 0.38 -0.51 4.01 4.02 2jk0G1 ASP 191 H 0.06 0.01 -0.35 -0.55 8.40 7.57 2jk0G1 ASP 191 HA 0.11 -0.02 0.12 -0.75 4.63 4.09 2jk0G1 ASP 191 HB2 0.03 -0.11 -0.26 -0.04 2.71 2.33 2jk0G1 ASP 191 HB3 0.05 0.18 0.04 -0.04 2.70 2.92 2jk0G1 LYS 192 H 0.10 0.28 -0.41 -0.55 8.42 7.84 2jk0G1 LYS 192 HA -0.04 0.15 0.66 -0.75 4.32 4.33 2jk0G1 LYS 192 HB2 0.06 0.11 -0.02 -0.04 1.87 1.98 2jk0G1 LYS 192 HB3 -0.39 0.03 -0.07 -0.04 1.79 1.33 2jk0G1 LYS 192 HG2 -0.10 -0.05 -0.00 -0.04 1.46 1.27 2jk0G1 LYS 192 HG3 -0.06 0.02 0.09 -0.04 1.46 1.48 2jk0G1 LYS 192 HD2 0.03 0.12 -0.49 -0.04 1.69 1.30 2jk0G1 LYS 192 HD3 0.06 0.01 -0.10 -0.04 1.68 1.60 2jk0G1 LYS 192 HE2 -0.00 -0.01 -0.00 -0.04 2.99 2.94 2jk0G1 LYS 192 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 2jk0G1 ILE 193 H -0.13 0.19 0.09 -0.55 8.25 7.85 2jk0G1 ILE 193 HA -0.07 0.14 0.86 -0.75 4.18 4.36 2jk0G1 ILE 193 HB -0.09 0.00 0.05 -0.04 1.89 1.82 2jk0G1 ILE 193 HG12 -0.07 -0.04 -0.22 -0.04 1.49 1.12 2jk0G1 ILE 193 HG13 -0.05 -0.01 -0.13 -0.04 1.21 0.98 2jk0G1 ILE 193 HG23 -0.45 -0.01 -0.25 -0.04 0.93 0.18 2jk0G1 ILE 193 HD13 -0.02 0.01 -0.21 -0.04 0.88 0.62 2jk0G1 TYR 194 H 0.05 0.69 0.31 -0.55 8.29 8.79 2jk0G1 TYR 194 HA -0.02 0.18 0.96 -0.75 4.56 4.93 2jk0G1 TYR 194 HB2 -0.05 -0.02 0.22 -0.04 3.06 3.17 2jk0G1 TYR 194 HB3 -0.01 0.04 0.01 -0.04 2.98 2.98 2jk0G1 TYR 194 HD2 -0.02 0.06 -0.04 -0.04 7.15 7.11 2jk0G1 TYR 194 HE2 -0.00 0.10 -0.03 -0.04 6.85 6.88 2jk0G1 TYR 195 H 0.15 0.20 0.07 -0.55 8.29 8.16 2jk0G1 TYR 195 HA 0.08 0.07 0.99 -0.75 4.56 4.94 2jk0G1 TYR 195 HB2 0.03 -0.03 0.07 -0.04 3.06 3.09 2jk0G1 TYR 195 HB3 0.04 0.12 -0.07 -0.04 2.98 3.02 2jk0G1 TYR 195 HD2 0.03 0.06 -0.17 -0.04 7.15 7.02 2jk0G1 TYR 195 HE2 0.01 -0.05 -0.18 -0.04 6.85 6.59 2jk0G1 GLN 196 H 0.22 0.69 0.51 -0.55 8.47 9.34 2jk0G1 GLN 196 HA 0.11 0.12 0.93 -0.75 4.36 4.77 2jk0G1 GLN 196 HB2 0.11 0.16 0.15 -0.04 2.15 2.53 2jk0G1 GLN 196 HB3 0.08 -0.07 0.02 -0.04 2.02 2.01 2jk0G1 GLN 196 HG2 0.08 -0.03 -0.14 -0.04 2.40 2.27 2jk0G1 GLN 196 HG3 0.11 -0.04 -0.26 -0.04 2.39 2.16 2jk0G1 GLN 196 HE21 0.05 -0.05 -0.07 -0.04 6.97 6.86 2jk0G1 GLN 196 HE22 0.03 -0.02 -0.08 -0.04 7.69 7.57 2jk0G1 THR 197 H 0.15 0.57 0.45 -0.55 8.28 8.90 2jk0G1 THR 197 HA 0.07 0.15 0.90 -0.75 4.39 4.76 2jk0G1 THR 197 HB 0.08 -0.04 -0.08 -0.04 4.32 4.24 2jk0G1 THR 197 HG23 0.12 0.03 -0.24 -0.04 1.22 1.09 2jk0G1 ARG 198 H 0.07 0.21 0.18 -0.55 8.46 8.36 2jk0G1 ARG 198 HA 0.04 0.18 0.92 -0.75 4.34 4.74 2jk0G1 ARG 198 HB2 0.04 -0.05 0.02 -0.04 1.90 1.86 2jk0G1 ARG 198 HB3 0.03 0.13 -0.03 -0.04 1.80 1.89 2jk0G1 ARG 198 HG2 -0.03 0.08 -0.03 -0.04 1.67 1.65 2jk0G1 ARG 198 HG3 0.02 -0.06 -0.31 -0.04 1.67 1.28 2jk0G1 ARG 198 HD2 0.01 -0.06 -0.06 -0.04 3.22 3.07 2jk0G1 ARG 198 HD3 0.01 0.05 -0.03 -0.04 3.22 3.22 2jk0G1 LEU 199 H 0.00 0.25 0.14 -0.55 8.37 8.22 2jk0G1 LEU 199 HA 0.13 -0.02 0.49 -0.75 4.35 4.20 2jk0G1 LEU 199 HB2 -0.10 0.02 0.19 -0.04 1.64 1.71 2jk0G1 LEU 199 HB3 -0.11 0.11 0.17 -0.04 1.64 1.77 2jk0G1 LEU 199 HG -0.23 -0.11 0.03 -0.04 1.64 1.28 2jk0G1 LEU 199 HD13 0.03 -0.07 -0.18 -0.04 0.93 0.66 2jk0G1 LEU 199 HD23 -0.35 -0.01 -0.05 -0.04 0.89 0.44 2jk0G1 ASP 200 H 0.16 0.13 0.16 -0.55 8.40 8.30 2jk0G1 ASP 200 HA 0.07 0.23 0.86 -0.75 4.63 5.03 2jk0G1 ASP 200 HB2 0.07 0.03 0.09 -0.04 2.71 2.86 2jk0G1 ASP 200 HB3 0.09 -0.04 0.21 -0.04 2.70 2.92 2jk0G1 LYS 201 H 0.08 0.21 -0.56 -0.55 8.42 7.59 2jk0G1 LYS 201 HA 0.01 0.23 0.75 -0.75 4.32 4.55 2jk0G1 LYS 201 HB2 0.00 -0.11 -0.07 -0.04 1.87 1.65 2jk0G1 LYS 201 HB3 0.01 0.09 0.17 -0.04 1.79 2.01 2jk0G1 LYS 201 HG2 0.11 -0.14 -0.48 -0.04 1.46 0.90 2jk0G1 LYS 201 HG3 0.01 -0.07 -0.14 -0.04 1.46 1.22 2jk0G1 LYS 201 HD2 0.09 0.17 -0.35 -0.04 1.69 1.56 2jk0G1 LYS 201 HD3 0.07 0.12 -0.02 -0.04 1.68 1.81 2jk0G1 LYS 201 HE2 0.15 -0.07 -0.08 -0.04 2.99 2.95 2jk0G1 LYS 201 HE3 0.17 -0.09 -0.10 -0.04 2.99 2.93 2jk0G1 VAL 202 H -0.21 0.63 0.30 -0.55 8.24 8.42 2jk0G1 VAL 202 HA -0.26 0.07 0.59 -0.75 4.13 3.77 2jk0G1 VAL 202 HB -1.42 -0.07 -0.04 -0.04 2.12 0.55 2jk0G1 VAL 202 HG13 -0.41 -0.01 -0.19 -0.04 0.97 0.32 2jk0G1 VAL 202 HG23 -0.39 0.06 0.01 -0.04 0.95 0.58 2jk0G1 HIS 203 H -0.38 0.26 0.15 -0.55 8.41 7.89 2jk0G1 HIS 203 HA 0.04 0.14 0.45 -0.75 4.63 4.50 2jk0G1 HIS 203 HB2 0.00 -0.03 0.18 -0.04 3.26 3.38 2jk0G1 HIS 203 HB3 -0.02 0.10 -0.15 -0.04 3.20 3.09 2jk0G1 HIS 203 HD2 -0.05 0.22 -0.26 -0.04 6.97 6.84 2jk0G1 HIS 203 HE1 -0.02 0.05 -0.33 -0.04 7.75 7.41 2jk0G1 THR 204 H 0.11 0.66 0.25 -0.55 8.28 8.75 2jk0G1 THR 204 HA 0.06 0.36 0.34 -0.75 4.39 4.39 2jk0G1 THR 204 HB 0.08 0.09 -0.02 -0.04 4.32 4.42 2jk0G1 THR 204 HG23 0.14 -0.02 0.02 -0.04 1.22 1.32 2jk0G1 THR 205 H -0.02 0.10 0.10 -0.55 8.28 7.92 2jk0G1 THR 205 HA -0.02 0.14 0.21 -0.75 4.39 3.97 2jk0G1 THR 205 HB -0.03 0.02 0.07 -0.04 4.32 4.33 2jk0G1 THR 205 HG23 -0.00 0.05 -0.23 -0.04 1.22 0.99 2jk0G1 ARG 206 H -0.14 0.38 -0.30 -0.55 8.46 7.84 2jk0G1 ARG 206 HA -0.08 0.19 0.75 -0.75 4.34 4.44 2jk0G1 ARG 206 HB2 -0.24 0.04 0.10 -0.04 1.90 1.76 2jk0G1 ARG 206 HB3 -0.16 -0.05 0.10 -0.04 1.80 1.66 2jk0G1 ARG 206 HG2 -0.09 0.04 -0.03 -0.04 1.67 1.55 2jk0G1 ARG 206 HG3 -0.13 -0.02 -0.06 -0.04 1.67 1.42 2jk0G1 ARG 206 HD2 -0.14 0.03 0.00 -0.04 3.22 3.08 2jk0G1 ARG 206 HD3 -0.11 -0.02 0.02 -0.04 3.22 3.07 2jk0G1 SER 207 H -0.03 0.49 -0.47 -0.55 8.46 7.91 2jk0G1 SER 207 HA 0.09 0.01 0.41 -0.75 4.49 4.25 2jk0G1 SER 207 HB2 0.23 -0.15 -0.16 -0.04 3.95 3.83 2jk0G1 SER 207 HB3 0.06 0.33 -0.00 -0.04 3.93 4.27 2jk0G1 VAL 208 H -0.28 0.11 0.12 -0.55 8.24 7.63 2jk0G1 VAL 208 HA -0.19 0.13 0.41 -0.75 4.13 3.74 2jk0G1 VAL 208 HB -0.27 -0.01 0.12 -0.04 2.12 1.92 2jk0G1 VAL 208 HG13 -0.12 0.01 0.01 -0.04 0.97 0.84 2jk0G1 VAL 208 HG23 -1.06 -0.01 -0.09 -0.04 0.95 -0.25 2jk0G1 PHE 209 H -0.29 0.09 -0.52 -0.55 8.34 7.07 2jk0G1 PHE 209 HA -0.17 0.09 0.68 -0.75 4.62 4.47 2jk0G1 PHE 209 HB2 -0.26 0.28 0.03 -0.04 3.15 3.15 2jk0G1 PHE 209 HB3 -0.27 -0.06 -0.13 -0.04 3.06 2.56 2jk0G1 PHE 209 HD2 -0.37 0.08 -0.09 -0.04 7.28 6.86 2jk0G1 PHE 209 HE2 -1.20 0.00 -0.09 -0.04 7.38 6.04 2jk0G1 PHE 209 HZ -1.41 -0.02 -0.05 -0.04 7.32 5.80 2jk0G1 ASP 210 H 0.03 0.27 0.17 -0.55 8.40 8.32 2jk0G1 ASP 210 HA 0.00 0.22 0.81 -0.75 4.63 4.91 2jk0G1 ASP 210 HB2 -0.01 0.17 -0.17 -0.04 2.71 2.66 2jk0G1 ASP 210 HB3 -0.00 -0.01 0.06 -0.04 2.70 2.71 2jk0G1 VAL 211 H 0.02 0.23 0.06 -0.55 8.24 8.00 2jk0G1 VAL 211 HA 0.02 0.25 0.97 -0.75 4.13 4.62 2jk0G1 VAL 211 HB 0.09 0.01 0.13 -0.04 2.12 2.31 2jk0G1 VAL 211 HG13 -0.05 0.02 -0.23 -0.04 0.97 0.66 2jk0G1 VAL 211 HG23 0.16 0.01 -0.09 -0.04 0.95 0.99 2jk0G1 THR 212 H 0.02 0.13 -0.09 -0.55 8.28 7.79 2jk0G1 THR 212 HA 0.03 0.07 0.40 -0.75 4.39 4.13 2jk0G1 THR 212 HB 0.01 -0.01 0.04 -0.04 4.32 4.32 2jk0G1 THR 212 HG23 0.01 0.01 -0.10 -0.04 1.22 1.11 2jk0G1 ASN 213 H 0.02 0.06 -0.36 -0.55 8.53 7.70 2jk0G1 ASN 213 HA 0.02 0.24 0.72 -0.75 4.76 4.98 2jk0G1 ASN 213 HB2 0.01 0.03 -0.02 -0.04 2.88 2.86 2jk0G1 ASN 213 HB3 0.01 -0.00 0.11 -0.04 2.79 2.87 2jk0G1 ASN 213 HD21 0.01 -0.01 -0.12 -0.04 7.03 6.87 2jk0G1 ASN 213 HD22 0.01 0.06 -0.09 -0.04 7.74 7.68 2jk0G1 VAL 214 H 0.03 0.28 -0.35 -0.55 8.24 7.65 2jk0G1 VAL 214 HA 0.03 0.10 0.82 -0.75 4.13 4.33 2jk0G1 VAL 214 HB 0.05 0.02 0.07 -0.04 2.12 2.22 2jk0G1 VAL 214 HG13 0.05 0.00 -0.35 -0.04 0.97 0.63 2jk0G1 VAL 214 HG23 0.03 0.00 -0.02 -0.04 0.95 0.92 2jk0G1 ASP 215 H 0.03 0.11 0.15 -0.55 8.40 8.14 2jk0G1 ASP 215 HA 0.03 0.19 0.79 -0.75 4.63 4.88 2jk0G1 ASP 215 HB2 0.02 -0.02 0.14 -0.04 2.71 2.81 2jk0G1 ASP 215 HB3 0.02 -0.03 0.00 -0.04 2.70 2.65 2jk0G1 LYS 216 H 0.03 0.15 0.14 -0.55 8.42 8.19 2jk0G1 LYS 216 HA 0.03 0.10 0.80 -0.75 4.32 4.50 2jk0G1 LYS 216 HB2 0.02 -0.05 -0.10 -0.04 1.87 1.70 2jk0G1 LYS 216 HB3 0.03 0.05 -0.05 -0.04 1.79 1.78 2jk0G1 LYS 216 HG2 0.03 0.07 -0.05 -0.04 1.46 1.47 2jk0G1 LYS 216 HG3 0.02 -0.05 0.07 -0.04 1.46 1.46 2jk0G1 LYS 216 HD2 0.02 -0.01 -0.03 -0.04 1.69 1.62 2jk0G1 LYS 216 HD3 0.02 -0.00 -0.05 -0.04 1.68 1.61 2jk0G1 LYS 216 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.94 2jk0G1 LYS 216 HE3 0.02 0.04 -0.03 -0.04 2.99 2.99 2jk0G1 LEU 217 H 0.04 0.05 0.04 -0.55 8.37 7.96 2jk0G1 LEU 217 HA 0.04 0.26 0.70 -0.75 4.35 4.60 2jk0G1 LEU 217 HB2 0.07 -0.17 0.00 -0.04 1.64 1.50 2jk0G1 LEU 217 HB3 0.06 0.16 -0.11 -0.04 1.64 1.71 2jk0G1 LEU 217 HG 0.09 -0.04 -0.25 -0.04 1.64 1.40 2jk0G1 LEU 217 HD13 0.25 -0.02 -0.11 -0.04 0.93 1.01 2jk0G1 LEU 217 HD23 0.03 0.03 -0.12 -0.04 0.89 0.79 2jk0G1 PRO 218 HA 0.04 0.00 0.48 -0.51 4.44 4.45 2jk0G1 PRO 218 HB2 0.04 0.02 -0.06 -0.04 2.28 2.24 2jk0G1 PRO 218 HB3 0.04 0.08 0.08 -0.04 2.02 2.18 2jk0G1 PRO 218 HG2 0.02 0.20 0.11 -0.04 2.03 2.32 2jk0G1 PRO 218 HG3 0.03 0.13 -0.18 -0.04 2.03 1.97 2jk0G1 PRO 218 HD2 0.03 0.02 0.19 -0.04 3.68 3.88 2jk0G1 PRO 218 HD3 0.03 0.18 0.14 -0.04 3.65 3.96 2jk0G1 ALA 219 H 0.04 0.15 0.23 -0.55 8.40 8.27 2jk0G1 ALA 219 HA 0.04 0.03 0.55 -0.75 4.34 4.21 2jk0G1 ALA 219 HB3 0.04 0.02 0.11 -0.04 1.41 1.54 2jk0G1 VAL 220 H 0.04 0.19 0.20 -0.55 8.24 8.13 2jk0G1 VAL 220 HA 0.06 0.26 0.92 -0.75 4.13 4.61 2jk0G1 VAL 220 HB 0.06 -0.03 0.03 -0.04 2.12 2.13 2jk0G1 VAL 220 HG13 0.08 -0.00 -0.33 -0.04 0.97 0.68 2jk0G1 VAL 220 HG23 0.06 -0.00 -0.30 -0.04 0.95 0.67 2jk0G1 ASP 221 H 0.06 0.45 0.30 -0.55 8.40 8.66 2jk0G1 ASP 221 HA 0.04 0.15 0.88 -0.75 4.63 4.94 2jk0G1 ASP 221 HB2 0.04 0.01 0.03 -0.04 2.71 2.74 2jk0G1 ASP 221 HB3 0.02 0.01 -0.05 -0.04 2.70 2.63 2jk0G1 ILE 222 H 0.03 0.20 0.15 -0.55 8.25 8.09 2jk0G1 ILE 222 HA 0.07 0.36 1.03 -0.75 4.18 4.88 2jk0G1 ILE 222 HB 0.05 -0.05 0.08 -0.04 1.89 1.94 2jk0G1 ILE 222 HG12 0.07 0.08 -0.19 -0.04 1.49 1.41 2jk0G1 ILE 222 HG13 0.05 -0.02 -0.18 -0.04 1.21 1.02 2jk0G1 ILE 222 HG23 0.08 -0.00 -0.19 -0.04 0.93 0.77 2jk0G1 ILE 222 HD13 0.06 -0.02 -0.19 -0.04 0.88 0.68 2jk0G1 ILE 223 H 0.08 0.56 0.16 -0.55 8.25 8.50 2jk0G1 ILE 223 HA 0.04 0.13 0.93 -0.75 4.18 4.52 2jk0G1 ILE 223 HB -0.17 -0.00 -0.04 -0.04 1.89 1.64 2jk0G1 ILE 223 HG12 -0.16 0.02 -0.15 -0.04 1.49 1.16 2jk0G1 ILE 223 HG13 -0.09 -0.06 -0.55 -0.04 1.21 0.46 2jk0G1 ILE 223 HG23 -0.29 0.01 -0.17 -0.04 0.93 0.44 2jk0G1 ILE 223 HD13 -0.55 0.00 -0.30 -0.04 0.88 -0.01 2jk0G1 TYR 224 H 0.26 0.13 0.10 -0.55 8.29 8.23 2jk0G1 TYR 224 HA 0.02 0.10 0.49 -0.75 4.56 4.42 2jk0G1 TYR 224 HB2 0.06 -0.01 0.10 -0.04 3.06 3.16 2jk0G1 TYR 224 HB3 0.25 -0.03 -0.02 -0.04 2.98 3.14 2jk0G1 TYR 224 HD2 0.00 -0.07 -0.09 -0.04 7.15 6.96 2jk0G1 TYR 224 HE2 -0.04 -0.01 0.04 -0.04 6.85 6.80 2jk0G1 GLY 225 H -0.52 0.56 0.22 -0.55 8.43 8.14 2jk0G1 GLY 225 HA2 0.17 0.05 0.78 -0.51 4.01 4.50 2jk0G1 GLY 225 HA3 -0.09 -0.03 0.21 -0.51 4.01 3.58 2jk0G1 TYR 226 H -0.11 0.21 0.17 -0.55 8.29 8.01 2jk0G1 TYR 226 HA 0.01 0.06 0.49 -0.75 4.56 4.37 2jk0G1 TYR 226 HB2 0.09 0.01 0.07 -0.04 3.06 3.19 2jk0G1 TYR 226 HB3 0.16 0.19 -0.06 -0.04 2.98 3.23 2jk0G1 TYR 226 HD2 0.17 0.08 -0.52 -0.04 7.15 6.84 2jk0G1 TYR 226 HE2 0.09 0.03 -0.08 -0.04 6.85 6.84 2jk0G1 GLN 227 H 0.16 0.15 0.13 -0.55 8.47 8.36 2jk0G1 GLN 227 HA 0.02 -0.02 0.50 -0.75 4.36 4.11 2jk0G1 GLN 227 HB2 0.10 0.04 0.09 -0.04 2.15 2.35 2jk0G1 GLN 227 HB3 0.05 0.03 0.05 -0.04 2.02 2.10 2jk0G1 GLN 227 HG2 0.04 -0.00 0.07 -0.04 2.40 2.47 2jk0G1 GLN 227 HG3 0.06 -0.02 0.11 -0.04 2.39 2.50 2jk0G1 GLN 227 HE21 0.03 0.03 0.02 -0.04 6.97 7.01 2jk0G1 GLN 227 HE22 0.03 -0.01 0.02 -0.04 7.69 7.69 2jk0G1 ASP 228 H -0.00 0.08 0.20 -0.55 8.40 8.12 2jk0G1 ASP 228 HA -0.03 -0.02 0.33 -0.75 4.63 4.16 2jk0G1 ASP 228 HB2 0.08 0.14 0.07 -0.04 2.71 2.95 2jk0G1 ASP 228 HB3 0.03 -0.00 0.17 -0.04 2.70 2.85 2jk0G1 ASP 229 H -0.20 0.13 -0.22 -0.55 8.40 7.56 2jk0G1 ASP 229 HA -0.73 0.17 0.47 -0.75 4.63 3.78 2jk0G1 ASP 229 HB2 -0.55 0.11 0.01 -0.04 2.71 2.24 2jk0G1 ASP 229 HB3 -0.88 0.09 0.15 -0.04 2.70 2.02 2jk0G1 PRO 230 HA -0.36 0.03 0.43 -0.51 4.44 4.03 2jk0G1 PRO 230 HB2 -1.44 -0.24 0.06 -0.04 2.28 0.63 2jk0G1 PRO 230 HB3 -1.15 0.13 0.14 -0.04 2.02 1.10 2jk0G1 PRO 230 HG2 -0.19 -0.02 0.14 -0.04 2.03 1.92 2jk0G1 PRO 230 HG3 -0.07 0.11 0.11 -0.04 2.03 2.14 2jk0G1 PRO 230 HD2 -0.35 0.11 0.23 -0.04 3.68 3.62 2jk0G1 PRO 230 HD3 -0.06 0.30 0.27 -0.04 3.65 4.13 2jk0G1 GLU 231 H -0.16 0.21 0.20 -0.55 8.60 8.30 2jk0G1 GLU 231 HA 0.04 0.11 0.48 -0.75 4.29 4.17 2jk0G1 GLU 231 HB2 -0.04 -0.01 0.16 -0.04 2.09 2.16 2jk0G1 GLU 231 HB3 0.02 0.05 -0.02 -0.04 1.99 1.99 2jk0G1 GLU 231 HG2 -0.04 -0.04 0.09 -0.04 2.34 2.31 2jk0G1 GLU 231 HG3 -0.08 0.07 0.15 -0.04 2.34 2.43 2jk0G1 TYR 232 H -0.40 0.05 -0.25 -0.55 8.29 7.14 2jk0G1 TYR 232 HA 0.07 0.14 0.45 -0.75 4.56 4.46 2jk0G1 TYR 232 HB2 0.04 0.06 0.02 -0.04 3.06 3.14 2jk0G1 TYR 232 HB3 0.04 0.05 0.04 -0.04 2.98 3.07 2jk0G1 TYR 232 HD2 0.04 0.03 -0.12 -0.04 7.15 7.06 2jk0G1 TYR 232 HE2 0.04 0.05 0.01 -0.04 6.85 6.91 2jk0G1 MET 233 H -0.15 0.20 -0.23 -0.55 8.47 7.75 2jk0G1 MET 233 HA 0.13 0.07 0.39 -0.75 4.52 4.35 2jk0G1 MET 233 HB2 -0.19 0.10 0.01 -0.04 2.15 2.02 2jk0G1 MET 233 HB3 -0.13 0.03 -0.06 -0.04 2.03 1.83 2jk0G1 MET 233 HG2 -0.06 -0.06 0.06 -0.04 2.63 2.53 2jk0G1 MET 233 HG3 0.02 0.04 0.04 -0.04 2.56 2.61 2jk0G1 MET 233 HE3 0.13 0.01 0.02 -0.04 2.10 2.22 2jk0G1 TYR 234 H 0.16 0.22 -0.43 -0.55 8.29 7.69 2jk0G1 TYR 234 HA 0.04 0.08 0.39 -0.75 4.56 4.32 2jk0G1 TYR 234 HB2 -0.01 0.13 0.03 -0.04 3.06 3.17 2jk0G1 TYR 234 HB3 -0.00 0.12 -0.08 -0.04 2.98 2.97 2jk0G1 TYR 234 HD2 -0.04 0.06 -0.11 -0.04 7.15 7.02 2jk0G1 TYR 234 HE2 -0.07 0.00 -0.15 -0.04 6.85 6.59 2jk0G1 ASP 235 H 0.18 0.18 -0.23 -0.55 8.40 7.97 2jk0G1 ASP 235 HA 0.10 0.08 0.40 -0.75 4.63 4.45 2jk0G1 ASP 235 HB2 0.15 0.11 0.17 -0.04 2.71 3.09 2jk0G1 ASP 235 HB3 0.09 0.01 0.01 -0.04 2.70 2.76 2jk0G1 ALA 236 H 0.14 0.45 -0.17 -0.55 8.40 8.26 2jk0G1 ALA 236 HA 0.15 0.03 0.38 -0.75 4.34 4.15 2jk0G1 ALA 236 HB3 0.12 0.04 0.05 -0.04 1.41 1.58 2jk0G1 SER 237 H 0.10 0.27 -0.39 -0.55 8.46 7.90 2jk0G1 SER 237 HA 0.11 0.01 0.35 -0.75 4.49 4.20 2jk0G1 SER 237 HB2 0.05 0.06 0.11 -0.04 3.95 4.13 2jk0G1 SER 237 HB3 0.09 0.07 -0.06 -0.04 3.93 3.99 2jk0G1 ILE 238 H 0.10 0.55 -0.07 -0.55 8.25 8.28 2jk0G1 ILE 238 HA 0.06 0.08 0.35 -0.75 4.18 3.92 2jk0G1 ILE 238 HB 0.06 0.05 0.14 -0.04 1.89 2.10 2jk0G1 ILE 238 HG12 0.05 0.04 0.00 -0.04 1.49 1.54 2jk0G1 ILE 238 HG13 0.09 0.06 0.02 -0.04 1.21 1.35 2jk0G1 ILE 238 HG23 0.03 0.00 -0.12 -0.04 0.93 0.79 2jk0G1 ILE 238 HD13 0.05 -0.04 -0.24 -0.04 0.88 0.61 2jk0G1 LYS 239 H 0.05 0.50 -0.22 -0.55 8.42 8.20 2jk0G1 LYS 239 HA -0.05 -0.02 0.37 -0.75 4.32 3.87 2jk0G1 LYS 239 HB2 -0.01 0.03 0.11 -0.04 1.87 1.96 2jk0G1 LYS 239 HB3 -0.01 0.23 0.14 -0.04 1.79 2.11 2jk0G1 LYS 239 HG2 -0.47 0.01 -0.14 -0.04 1.46 0.81 2jk0G1 LYS 239 HG3 -0.13 -0.05 0.03 -0.04 1.46 1.27 2jk0G1 LYS 239 HD2 -0.02 -0.05 -0.03 -0.04 1.69 1.55 2jk0G1 LYS 239 HD3 -0.02 0.02 0.00 -0.04 1.68 1.64 2jk0G1 LYS 239 HE2 -0.20 0.01 -0.04 -0.04 2.99 2.73 2jk0G1 LYS 239 HE3 -0.07 -0.02 -0.02 -0.04 2.99 2.84 2jk0G1 HIS 240 H 0.14 0.39 -0.32 -0.55 8.41 8.08 2jk0G1 HIS 240 HA 0.02 0.11 0.48 -0.75 4.63 4.49 2jk0G1 HIS 240 HB2 0.03 0.03 0.10 -0.04 3.26 3.38 2jk0G1 HIS 240 HB3 0.02 -0.06 0.16 -0.04 3.20 3.28 2jk0G1 HIS 240 HD2 0.02 -0.01 -0.01 -0.04 6.97 6.93 2jk0G1 HIS 240 HE1 0.02 -0.07 -0.02 -0.04 7.75 7.64 2jk0G1 GLY 241 H 0.04 0.45 -0.46 -0.55 8.43 7.91 2jk0G1 GLY 241 HA2 0.04 0.10 0.29 -0.51 4.01 3.93 2jk0G1 GLY 241 HA3 0.04 -0.05 0.32 -0.51 4.01 3.82 2jk0G1 VAL 242 H 0.09 0.17 -0.41 -0.55 8.24 7.54 2jk0G1 VAL 242 HA 0.06 -0.02 0.47 -0.75 4.13 3.88 2jk0G1 VAL 242 HB 0.08 0.15 -0.11 -0.04 2.12 2.20 2jk0G1 VAL 242 HG13 0.06 -0.03 -0.32 -0.04 0.97 0.64 2jk0G1 VAL 242 HG23 0.06 -0.04 -0.09 -0.04 0.95 0.85 2jk0G1 LYS 243 H 0.05 0.51 0.33 -0.55 8.42 8.75 2jk0G1 LYS 243 HA 0.04 0.20 0.80 -0.75 4.32 4.61 2jk0G1 LYS 243 HB2 0.04 0.00 0.13 -0.04 1.87 2.01 2jk0G1 LYS 243 HB3 0.04 0.00 0.08 -0.04 1.79 1.87 2jk0G1 LYS 243 HG2 0.03 0.01 0.05 -0.04 1.46 1.51 2jk0G1 LYS 243 HG3 0.04 0.18 -0.08 -0.04 1.46 1.56 2jk0G1 LYS 243 HD2 0.04 0.02 0.07 -0.04 1.69 1.77 2jk0G1 LYS 243 HD3 0.03 -0.01 0.04 -0.04 1.68 1.71 2jk0G1 LYS 243 HE2 0.04 -0.09 0.22 -0.04 2.99 3.12 2jk0G1 LYS 243 HE3 0.04 -0.06 0.12 -0.04 2.99 3.04 2jk0G1 GLY 244 H 0.06 0.26 0.22 -0.55 8.43 8.41 2jk0G1 GLY 244 HA2 0.06 0.13 0.64 -0.51 4.01 4.33 2jk0G1 GLY 244 HA3 0.07 0.06 0.29 -0.51 4.01 3.92 2jk0G1 ILE 245 H 0.08 0.44 0.10 -0.55 8.25 8.33 2jk0G1 ILE 245 HA 0.08 0.22 1.02 -0.75 4.18 4.75 2jk0G1 ILE 245 HB 0.14 -0.03 -0.06 -0.04 1.89 1.90 2jk0G1 ILE 245 HG12 0.07 -0.05 -0.16 -0.04 1.49 1.32 2jk0G1 ILE 245 HG13 0.08 0.01 -0.60 -0.04 1.21 0.66 2jk0G1 ILE 245 HG23 0.13 -0.03 -0.37 -0.04 0.93 0.61 2jk0G1 ILE 245 HD13 0.16 -0.00 -0.20 -0.04 0.88 0.80 2jk0G1 VAL 246 H 0.09 0.82 0.30 -0.55 8.24 8.90 2jk0G1 VAL 246 HA 0.10 0.22 1.02 -0.75 4.13 4.72 2jk0G1 VAL 246 HB 0.09 -0.09 0.06 -0.04 2.12 2.14 2jk0G1 VAL 246 HG13 0.08 0.03 -0.19 -0.04 0.97 0.84 2jk0G1 VAL 246 HG23 0.13 0.00 -0.28 -0.04 0.95 0.76 2jk0G1 TYR 247 H 0.20 0.65 0.18 -0.55 8.29 8.77 2jk0G1 TYR 247 HA 0.07 0.13 0.74 -0.75 4.56 4.75 2jk0G1 TYR 247 HB2 0.12 -0.01 -0.06 -0.04 3.06 3.08 2jk0G1 TYR 247 HB3 0.03 0.04 0.12 -0.04 2.98 3.13 2jk0G1 TYR 247 HD2 0.07 0.11 -0.09 -0.04 7.15 7.20 2jk0G1 TYR 247 HE2 0.01 0.11 -0.43 -0.04 6.85 6.51 2jk0G1 ALA 248 H -0.15 0.71 0.13 -0.55 8.40 8.55 2jk0G1 ALA 248 HA -0.24 0.11 0.53 -0.75 4.34 3.98 2jk0G1 ALA 248 HB3 -0.07 -0.02 -0.04 -0.04 1.41 1.24 2jk0G1 GLY 249 H -0.62 0.53 -0.23 -0.55 8.43 7.56 2jk0G1 GLY 249 HA2 -1.05 -0.03 0.08 -0.51 4.01 2.51 2jk0G1 GLY 249 HA3 -0.42 0.09 0.21 -0.51 4.01 3.38 2jk0G1 MET 250 H -0.03 0.33 0.12 -0.55 8.47 8.34 2jk0G1 MET 250 HA -0.11 0.12 0.71 -0.75 4.52 4.48 2jk0G1 MET 250 HB2 0.01 0.03 0.02 -0.04 2.15 2.17 2jk0G1 MET 250 HB3 -0.01 0.00 -0.02 -0.04 2.03 1.96 2jk0G1 MET 250 HG2 -0.01 0.12 -0.21 -0.04 2.63 2.49 2jk0G1 MET 250 HG3 -0.01 -0.08 -0.24 -0.04 2.56 2.19 2jk0G1 MET 250 HE3 0.05 0.04 -0.12 -0.04 2.10 2.04 2jk0G1 GLY 251 H -0.05 0.14 0.14 -0.55 8.43 8.11 2jk0G1 GLY 251 HA2 -0.03 0.08 0.33 -0.51 4.01 3.88 2jk0G1 GLY 251 HA3 -0.02 0.03 0.48 -0.51 4.01 3.99 2jk0G1 ALA 252 H -0.01 0.13 0.13 -0.55 8.40 8.11 2jk0G1 ALA 252 HA -0.02 0.14 0.11 -0.75 4.34 3.81 2jk0G1 ALA 252 HB3 -0.00 0.02 0.17 -0.04 1.41 1.55 2jk0G1 GLY 253 H -0.05 0.44 -0.60 -0.55 8.43 7.67 2jk0G1 GLY 253 HA2 -0.08 0.01 0.31 -0.51 4.01 3.74 2jk0G1 GLY 253 HA3 0.02 0.14 0.46 -0.51 4.01 4.13 2jk0G1 SER 254 H 0.03 0.40 -0.20 -0.55 8.46 8.14 2jk0G1 SER 254 HA 0.06 0.13 0.32 -0.75 4.49 4.25 2jk0G1 SER 254 HB2 0.03 -0.09 -0.05 -0.04 3.95 3.80 2jk0G1 SER 254 HB3 0.02 0.00 -0.02 -0.04 3.93 3.89 2jk0G1 VAL 255 H 0.02 0.20 0.14 -0.55 8.24 8.05 2jk0G1 VAL 255 HA 0.01 0.06 0.85 -0.75 4.13 4.29 2jk0G1 VAL 255 HB -0.20 -0.07 -0.14 -0.04 2.12 1.67 2jk0G1 VAL 255 HG13 -0.25 0.06 -0.14 -0.04 0.97 0.60 2jk0G1 VAL 255 HG23 -0.07 0.01 0.04 -0.04 0.95 0.88 2jk0G1 SER 256 H -0.03 0.06 0.14 -0.55 8.46 8.07 2jk0G1 SER 256 HA -0.03 0.20 0.67 -0.75 4.49 4.58 2jk0G1 SER 256 HB2 -0.04 -0.00 0.22 -0.04 3.95 4.08 2jk0G1 SER 256 HB3 -0.03 0.11 0.14 -0.04 3.93 4.11 2jk0G1 LYS 257 H -0.05 0.18 0.16 -0.55 8.42 8.15 2jk0G1 LYS 257 HA -0.07 0.19 0.55 -0.75 4.32 4.24 2jk0G1 LYS 257 HB2 -0.04 -0.03 0.16 -0.04 1.87 1.93 2jk0G1 LYS 257 HB3 -0.05 0.05 0.05 -0.04 1.79 1.80 2jk0G1 LYS 257 HG2 -0.04 0.02 0.02 -0.04 1.46 1.42 2jk0G1 LYS 257 HG3 -0.03 0.04 0.05 -0.04 1.46 1.47 2jk0G1 LYS 257 HD2 -0.04 0.03 0.04 -0.04 1.69 1.68 2jk0G1 LYS 257 HD3 -0.06 -0.07 0.11 -0.04 1.68 1.62 2jk0G1 LYS 257 HE2 -0.05 0.04 0.00 -0.04 2.99 2.94 2jk0G1 LYS 257 HE3 -0.04 0.02 -0.05 -0.04 2.99 2.87 2jk0G1 ARG 258 H -0.07 0.05 -0.11 -0.55 8.46 7.77 2jk0G1 ARG 258 HA -0.09 0.13 0.58 -0.75 4.34 4.21 2jk0G1 ARG 258 HB2 -0.09 -0.08 0.14 -0.04 1.90 1.84 2jk0G1 ARG 258 HB3 -0.08 0.11 -0.10 -0.04 1.80 1.68 2jk0G1 ARG 258 HG2 -0.08 0.06 0.10 -0.04 1.67 1.70 2jk0G1 ARG 258 HG3 -0.06 -0.03 0.09 -0.04 1.67 1.64 2jk0G1 ARG 258 HD2 -0.04 0.04 0.00 -0.04 3.22 3.19 2jk0G1 ARG 258 HD3 -0.04 0.00 -0.00 -0.04 3.22 3.14 2jk0G1 GLY 259 H -0.12 0.05 -0.11 -0.55 8.43 7.70 2jk0G1 GLY 259 HA2 -0.40 0.07 0.30 -0.51 4.01 3.47 2jk0G1 GLY 259 HA3 -0.29 0.04 0.24 -0.51 4.01 3.50 2jk0G1 ASP 260 H -0.19 0.32 -0.57 -0.55 8.40 7.42 2jk0G1 ASP 260 HA -0.22 0.09 0.51 -0.75 4.63 4.26 2jk0G1 ASP 260 HB2 -0.12 0.13 0.03 -0.04 2.71 2.71 2jk0G1 ASP 260 HB3 -0.11 0.03 0.14 -0.04 2.70 2.71 2jk0G1 ALA 261 H -0.15 0.50 -0.03 -0.55 8.40 8.17 2jk0G1 ALA 261 HA -0.11 0.03 0.42 -0.75 4.34 3.93 2jk0G1 ALA 261 HB3 -0.09 0.01 0.18 -0.04 1.41 1.47 2jk0G1 GLY 262 H -0.34 0.58 -0.15 -0.55 8.43 7.98 2jk0G1 GLY 262 HA2 -0.19 0.04 0.37 -0.51 4.01 3.72 2jk0G1 GLY 262 HA3 -0.72 0.01 0.24 -0.51 4.01 3.03 2jk0G1 ILE 263 H -0.55 0.49 -0.21 -0.55 8.25 7.43 2jk0G1 ILE 263 HA -0.21 0.03 0.41 -0.75 4.18 3.65 2jk0G1 ILE 263 HB -0.28 0.13 0.18 -0.04 1.89 1.88 2jk0G1 ILE 263 HG12 -0.11 -0.06 -0.07 -0.04 1.49 1.21 2jk0G1 ILE 263 HG13 -0.62 -0.00 0.04 -0.04 1.21 0.58 2jk0G1 ILE 263 HG23 -0.10 0.00 -0.22 -0.04 0.93 0.58 2jk0G1 ILE 263 HD13 -0.38 -0.00 -0.12 -0.04 0.88 0.34 2jk0G1 ARG 264 H -0.17 0.50 -0.13 -0.55 8.46 8.11 2jk0G1 ARG 264 HA -0.07 0.03 0.42 -0.75 4.34 3.97 2jk0G1 ARG 264 HB2 -0.09 0.08 0.09 -0.04 1.90 1.94 2jk0G1 ARG 264 HB3 -0.06 -0.01 0.03 -0.04 1.80 1.72 2jk0G1 ARG 264 HG2 -0.07 -0.05 0.05 -0.04 1.67 1.56 2jk0G1 ARG 264 HG3 -0.11 0.16 0.10 -0.04 1.67 1.78 2jk0G1 ARG 264 HD2 -0.07 -0.02 -0.04 -0.04 3.22 3.05 2jk0G1 ARG 264 HD3 -0.05 -0.02 -0.01 -0.04 3.22 3.10 2jk0G1 LYS 265 H -0.10 0.36 -0.28 -0.55 8.42 7.85 2jk0G1 LYS 265 HA -0.03 0.04 0.51 -0.75 4.32 4.08 2jk0G1 LYS 265 HB2 -0.06 0.17 0.16 -0.04 1.87 2.11 2jk0G1 LYS 265 HB3 -0.04 0.09 0.08 -0.04 1.79 1.89 2jk0G1 LYS 265 HG2 0.00 0.01 -0.08 -0.04 1.46 1.36 2jk0G1 LYS 265 HG3 -0.01 -0.02 0.03 -0.04 1.46 1.42 2jk0G1 LYS 265 HD2 -0.01 -0.03 -0.04 -0.04 1.69 1.57 2jk0G1 LYS 265 HD3 0.02 -0.03 -0.07 -0.04 1.68 1.56 2jk0G1 LYS 265 HE2 0.02 0.03 -0.04 -0.04 2.99 2.96 2jk0G1 LYS 265 HE3 0.01 0.01 -0.02 -0.04 2.99 2.94 2jk0G1 ALA 266 H -0.05 0.41 -0.26 -0.55 8.40 7.95 2jk0G1 ALA 266 HA 0.03 0.04 0.44 -0.75 4.34 4.09 2jk0G1 ALA 266 HB3 0.05 0.02 0.02 -0.04 1.41 1.46 2jk0G1 GLU 267 H -0.03 0.58 -0.01 -0.55 8.60 8.60 2jk0G1 GLU 267 HA 0.00 0.39 0.46 -0.75 4.29 4.39 2jk0G1 GLU 267 HB2 -0.03 0.01 0.16 -0.04 2.09 2.18 2jk0G1 GLU 267 HB3 -0.02 -0.05 0.08 -0.04 1.99 1.97 2jk0G1 GLU 267 HG2 -0.01 0.03 0.14 -0.04 2.34 2.46 2jk0G1 GLU 267 HG3 -0.03 0.16 0.06 -0.04 2.34 2.49 2jk0G1 SER 268 H -0.01 0.34 -0.46 -0.55 8.46 7.78 2jk0G1 SER 268 HA -0.01 0.03 0.48 -0.75 4.49 4.24 2jk0G1 SER 268 HB2 -0.01 0.14 0.09 -0.04 3.95 4.13 2jk0G1 SER 268 HB3 -0.01 -0.08 0.09 -0.04 3.93 3.89 2jk0G1 LYS 269 H 0.01 0.34 -0.34 -0.55 8.42 7.87 2jk0G1 LYS 269 HA 0.01 0.11 0.78 -0.75 4.32 4.47 2jk0G1 LYS 269 HB2 0.02 0.07 0.13 -0.04 1.87 2.05 2jk0G1 LYS 269 HB3 0.02 -0.02 0.19 -0.04 1.79 1.94 2jk0G1 LYS 269 HG2 0.01 0.15 0.04 -0.04 1.46 1.61 2jk0G1 LYS 269 HG3 0.02 -0.06 0.03 -0.04 1.46 1.40 2jk0G1 LYS 269 HD2 0.01 -0.02 0.01 -0.04 1.69 1.65 2jk0G1 LYS 269 HD3 0.01 0.06 -0.06 -0.04 1.68 1.64 2jk0G1 LYS 269 HE2 0.00 0.02 -0.05 -0.04 2.99 2.92 2jk0G1 LYS 269 HE3 0.01 -0.05 -0.03 -0.04 2.99 2.88 2jk0G1 GLY 270 H 0.01 0.38 -0.51 -0.55 8.43 7.76 2jk0G1 GLY 270 HA2 0.01 0.01 0.29 -0.51 4.01 3.81 2jk0G1 GLY 270 HA3 0.01 0.02 0.35 -0.51 4.01 3.88 2jk0G1 ILE 271 H 0.02 0.13 -0.52 -0.55 8.25 7.32 2jk0G1 ILE 271 HA 0.04 0.30 0.51 -0.75 4.18 4.28 2jk0G1 ILE 271 HB 0.04 0.04 -0.20 -0.04 1.89 1.73 2jk0G1 ILE 271 HG12 0.04 0.27 -0.11 -0.04 1.49 1.65 2jk0G1 ILE 271 HG13 0.03 0.03 -0.13 -0.04 1.21 1.11 2jk0G1 ILE 271 HG23 0.06 -0.06 -0.57 -0.04 0.93 0.33 2jk0G1 ILE 271 HD13 0.05 -0.06 -0.10 -0.04 0.88 0.74 2jk0G1 VAL 272 H 0.04 0.55 0.34 -0.55 8.24 8.62 2jk0G1 VAL 272 HA 0.02 0.07 0.70 -0.75 4.13 4.16 2jk0G1 VAL 272 HB 0.06 -0.01 0.16 -0.04 2.12 2.28 2jk0G1 VAL 272 HG13 0.03 -0.04 -0.16 -0.04 0.97 0.77 2jk0G1 VAL 272 HG23 0.03 0.06 0.05 -0.04 0.95 1.05 2jk0G1 VAL 273 H 0.01 0.18 0.17 -0.55 8.24 8.05 2jk0G1 VAL 273 HA 0.05 0.33 1.05 -0.75 4.13 4.81 2jk0G1 VAL 273 HB 0.00 -0.06 0.09 -0.04 2.12 2.12 2jk0G1 VAL 273 HG13 0.08 0.01 -0.18 -0.04 0.97 0.83 2jk0G1 VAL 273 HG23 0.05 0.02 -0.28 -0.04 0.95 0.71 2jk0G1 VAL 274 H 0.04 0.46 0.23 -0.55 8.24 8.41 2jk0G1 VAL 274 HA -0.11 0.09 0.80 -0.75 4.13 4.16 2jk0G1 VAL 274 HB -0.06 -0.03 -0.03 -0.04 2.12 1.96 2jk0G1 VAL 274 HG13 -0.52 0.00 -0.48 -0.04 0.97 -0.06 2jk0G1 VAL 274 HG23 -0.34 0.00 -0.26 -0.04 0.95 0.31 2jk0G1 ARG 275 H -0.02 0.67 0.08 -0.55 8.46 8.63 2jk0G1 ARG 275 HA 0.19 -0.05 0.77 -0.75 4.34 4.50 2jk0G1 ARG 275 HB2 0.03 0.21 0.25 -0.04 1.90 2.35 2jk0G1 ARG 275 HB3 0.11 0.03 0.11 -0.04 1.80 2.01 2jk0G1 ARG 275 HG2 0.30 -0.15 -0.00 -0.04 1.67 1.77 2jk0G1 ARG 275 HG3 0.06 -0.10 -0.05 -0.04 1.67 1.55 2jk0G1 ARG 275 HD2 0.01 -0.22 -0.02 -0.04 3.22 2.96 2jk0G1 ARG 275 HD3 0.01 0.61 0.07 -0.04 3.22 3.86 2jk0G1 SER 276 H -0.03 0.71 0.35 -0.55 8.46 8.95 2jk0G1 SER 276 HA -0.02 0.19 0.71 -0.75 4.49 4.62 2jk0G1 SER 276 HB2 0.03 0.00 -0.20 -0.04 3.95 3.74 2jk0G1 SER 276 HB3 -0.02 0.02 -0.03 -0.04 3.93 3.85 2jk0G1 SER 277 H -0.05 0.26 0.11 -0.55 8.46 8.24 2jk0G1 SER 277 HA -0.15 0.21 1.02 -0.75 4.49 4.82 2jk0G1 SER 277 HB2 -0.05 0.09 -0.25 -0.04 3.95 3.70 2jk0G1 SER 277 HB3 -0.04 -0.02 -0.03 -0.04 3.93 3.80 2jk0G1 ARG 278 H -0.20 0.79 0.15 -0.55 8.46 8.66 2jk0G1 ARG 278 HA -0.07 0.06 0.63 -0.75 4.34 4.20 2jk0G1 ARG 278 HB2 -0.31 -0.07 0.18 -0.04 1.90 1.66 2jk0G1 ARG 278 HB3 -0.52 0.24 0.12 -0.04 1.80 1.61 2jk0G1 ARG 278 HG2 -0.15 -0.04 0.17 -0.04 1.67 1.61 2jk0G1 ARG 278 HG3 -0.07 -0.03 -0.20 -0.04 1.67 1.32 2jk0G1 ARG 278 HD2 -0.33 -0.01 0.10 -0.04 3.22 2.93 2jk0G1 ARG 278 HD3 -0.32 0.09 0.03 -0.04 3.22 2.98 2jk0G1 THR 279 H -0.06 0.06 -0.28 -0.55 8.28 7.45 2jk0G1 THR 279 HA -0.02 0.05 0.33 -0.75 4.39 4.00 2jk0G1 THR 279 HB -0.02 0.02 -0.01 -0.04 4.32 4.27 2jk0G1 THR 279 HG23 -0.04 -0.00 0.05 -0.04 1.22 1.19 2jk0G1 GLY 280 H -0.02 0.11 -0.15 -0.55 8.43 7.82 2jk0G1 GLY 280 HA2 -0.00 -0.00 0.23 -0.51 4.01 3.72 2jk0G1 GLY 280 HA3 -0.01 0.21 0.88 -0.51 4.01 4.58 2jk0G1 SER 281 H -0.02 0.20 0.04 -0.55 8.46 8.13 2jk0G1 SER 281 HA -0.02 0.18 0.47 -0.75 4.49 4.36 2jk0G1 SER 281 HB2 -0.05 -0.10 0.12 -0.04 3.95 3.89 2jk0G1 SER 281 HB3 -0.03 0.15 -0.25 -0.04 3.93 3.77 2jk0G1 GLY 282 H -0.04 0.10 0.10 -0.55 8.43 8.04 2jk0G1 GLY 282 HA2 -0.04 0.01 0.31 -0.51 4.01 3.78 2jk0G1 GLY 282 HA3 -0.03 0.08 0.36 -0.51 4.01 3.91 2jk0G1 ILE 283 H -0.02 0.08 0.07 -0.55 8.25 7.83 2jk0G1 ILE 283 HA -0.01 0.27 0.27 -0.75 4.18 3.96 2jk0G1 ILE 283 HB -0.01 -0.07 0.02 -0.04 1.89 1.79 2jk0G1 ILE 283 HG12 -0.02 0.04 -0.12 -0.04 1.49 1.35 2jk0G1 ILE 283 HG13 -0.02 0.02 -0.34 -0.04 1.21 0.83 2jk0G1 ILE 283 HG23 -0.01 0.02 -0.46 -0.04 0.93 0.44 2jk0G1 ILE 283 HD13 -0.01 -0.02 -0.09 -0.04 0.88 0.72 2jk0G1 VAL 284 H -0.01 0.52 0.07 -0.55 8.24 8.26 2jk0G1 VAL 284 HA -0.01 0.09 0.73 -0.75 4.13 4.19 2jk0G1 VAL 284 HB -0.01 -0.10 0.10 -0.04 2.12 2.07 2jk0G1 VAL 284 HG13 0.00 0.18 -0.16 -0.04 0.97 0.96 2jk0G1 VAL 284 HG23 -0.02 -0.05 -0.35 -0.04 0.95 0.49 2jk0G1 PRO 285 HA 0.03 0.09 0.43 -0.51 4.44 4.47 2jk0G1 PRO 285 HB2 0.02 0.14 -0.01 -0.04 2.28 2.39 2jk0G1 PRO 285 HB3 0.01 -0.04 0.02 -0.04 2.02 1.98 2jk0G1 PRO 285 HG2 0.01 0.03 -0.06 -0.04 2.03 1.97 2jk0G1 PRO 285 HG3 0.01 -0.04 0.03 -0.04 2.03 1.99 2jk0G1 PRO 285 HD2 0.00 0.18 0.19 -0.04 3.68 4.01 2jk0G1 PRO 285 HD3 -0.00 0.21 0.17 -0.04 3.65 3.99 2jk0G1 PRO 286 HA 0.04 0.10 0.57 -0.51 4.44 4.64 2jk0G1 PRO 286 HB2 0.03 -0.03 -0.08 -0.04 2.28 2.16 2jk0G1 PRO 286 HB3 0.07 0.04 0.08 -0.04 2.02 2.17 2jk0G1 PRO 286 HG2 0.05 -0.01 0.10 -0.04 2.03 2.12 2jk0G1 PRO 286 HG3 0.09 0.04 0.07 -0.04 2.03 2.19 2jk0G1 PRO 286 HD2 0.06 0.05 0.22 -0.04 3.68 3.97 2jk0G1 PRO 286 HD3 0.14 0.16 0.13 -0.04 3.65 4.04 2jk0G1 ASP 287 H 0.01 0.35 0.05 -0.55 8.40 8.26 2jk0G1 ASP 287 HA 0.01 0.06 0.74 -0.75 4.63 4.68 2jk0G1 ASP 287 HB2 0.01 0.16 -0.25 -0.04 2.71 2.59 2jk0G1 ASP 287 HB3 0.00 0.07 0.06 -0.04 2.70 2.79 2jk0G1 ALA 288 H 0.00 0.15 0.05 -0.55 8.40 8.06 2jk0G1 ALA 288 HA -0.01 0.11 0.49 -0.75 4.34 4.19 2jk0G1 ALA 288 HB3 -0.01 -0.00 0.09 -0.04 1.41 1.45 2jk0G1 GLY 289 H -0.01 0.02 -0.20 -0.55 8.43 7.69 2jk0G1 GLY 289 HA2 -0.02 0.05 0.11 -0.51 4.01 3.64 2jk0G1 GLY 289 HA3 -0.01 -0.04 0.26 -0.51 4.01 3.70 2jk0G1 GLN 290 H -0.01 0.49 -0.62 -0.55 8.47 7.78 2jk0G1 GLN 290 HA -0.04 0.08 0.87 -0.75 4.36 4.52 2jk0G1 GLN 290 HB2 -0.01 0.05 0.00 -0.04 2.15 2.15 2jk0G1 GLN 290 HB3 -0.02 0.05 0.05 -0.04 2.02 2.07 2jk0G1 GLN 290 HG2 -0.02 0.07 -0.05 -0.04 2.40 2.35 2jk0G1 GLN 290 HG3 -0.01 -0.15 -0.40 -0.04 2.39 1.80 2jk0G1 GLN 290 HE21 0.01 -0.13 0.04 -0.04 6.97 6.84 2jk0G1 GLN 290 HE22 -0.01 0.06 0.01 -0.04 7.69 7.70 2jk0G1 PRO 291 HA -0.04 0.12 0.38 -0.51 4.44 4.39 2jk0G1 PRO 291 HB2 -0.07 -0.03 0.04 -0.04 2.28 2.17 2jk0G1 PRO 291 HB3 -0.06 0.01 0.10 -0.04 2.02 2.02 2jk0G1 PRO 291 HG2 -0.13 0.02 0.01 -0.04 2.03 1.89 2jk0G1 PRO 291 HG3 -0.12 0.02 0.12 -0.04 2.03 2.01 2jk0G1 PRO 291 HD2 -0.07 0.05 0.19 -0.04 3.68 3.80 2jk0G1 PRO 291 HD3 -0.07 0.11 0.21 -0.04 3.65 3.86 2jk0G1 GLY 292 H -0.04 -0.01 0.14 -0.55 8.43 7.98 2jk0G1 GLY 292 HA2 -0.03 -0.03 0.50 -0.51 4.01 3.94 2jk0G1 GLY 292 HA3 -0.02 0.04 0.45 -0.51 4.01 3.96 2jk0G1 LEU 293 H -0.05 0.45 0.34 -0.55 8.37 8.57 2jk0G1 LEU 293 HA -0.04 0.10 0.60 -0.75 4.35 4.26 2jk0G1 LEU 293 HB2 -0.20 -0.02 -0.02 -0.04 1.64 1.35 2jk0G1 LEU 293 HB3 -0.12 -0.08 0.13 -0.04 1.64 1.52 2jk0G1 LEU 293 HG -0.04 0.02 0.02 -0.04 1.64 1.59 2jk0G1 LEU 293 HD13 -0.04 0.00 -0.14 -0.04 0.93 0.72 2jk0G1 LEU 293 HD23 -0.02 -0.02 -0.06 -0.04 0.89 0.74 2jk0G1 VAL 294 H -0.10 0.17 0.12 -0.55 8.24 7.88 2jk0G1 VAL 294 HA -0.06 0.28 1.02 -0.75 4.13 4.61 2jk0G1 VAL 294 HB 0.07 -0.10 -0.01 -0.04 2.12 2.04 2jk0G1 VAL 294 HG13 0.04 0.00 -0.17 -0.04 0.97 0.79 2jk0G1 VAL 294 HG23 0.01 0.04 -0.23 -0.04 0.95 0.74 2jk0G1 ALA 295 H -0.06 0.59 0.23 -0.55 8.40 8.61 2jk0G1 ALA 295 HA -0.13 0.01 0.17 -0.75 4.34 3.63 2jk0G1 ALA 295 HB3 0.04 -0.01 -0.03 -0.04 1.41 1.37 2jk0G1 ASP 296 H -0.05 0.10 -0.48 -0.55 8.40 7.43 2jk0G1 ASP 296 HA -0.12 0.04 0.26 -0.75 4.63 4.07 2jk0G1 ASP 296 HB2 -0.14 0.03 -0.27 -0.04 2.71 2.29 2jk0G1 ASP 296 HB3 0.08 0.15 0.14 -0.04 2.70 3.02 2jk0G1 SER 297 H 0.04 0.21 0.16 -0.55 8.46 8.33 2jk0G1 SER 297 HA 0.01 0.28 0.44 -0.75 4.49 4.46 2jk0G1 SER 297 HB2 0.02 -0.11 0.03 -0.04 3.95 3.85 2jk0G1 SER 297 HB3 0.02 -0.06 -0.05 -0.04 3.93 3.80 2jk0G1 LEU 298 H 0.08 0.41 -0.17 -0.55 8.37 8.14 2jk0G1 LEU 298 HA -0.01 0.02 0.45 -0.75 4.35 4.06 2jk0G1 LEU 298 HB2 0.20 0.34 0.15 -0.04 1.64 2.29 2jk0G1 LEU 298 HB3 0.07 -0.10 -0.10 -0.04 1.64 1.47 2jk0G1 LEU 298 HG -0.04 0.01 0.01 -0.04 1.64 1.57 2jk0G1 LEU 298 HD13 0.00 0.02 0.01 -0.04 0.93 0.92 2jk0G1 LEU 298 HD23 -0.43 -0.03 -0.09 -0.04 0.89 0.30 2jk0G1 SER 299 H -0.02 0.10 0.13 -0.55 8.46 8.12 2jk0G1 SER 299 HA 0.01 0.18 0.44 -0.75 4.49 4.36 2jk0G1 SER 299 HB2 0.01 0.01 0.08 -0.04 3.95 4.01 2jk0G1 SER 299 HB3 0.00 0.18 0.07 -0.04 3.93 4.14 2jk0G1 PRO 300 HA 0.05 0.11 0.27 -0.51 4.44 4.36 2jk0G1 PRO 300 HB2 0.05 -0.07 0.06 -0.04 2.28 2.29 2jk0G1 PRO 300 HB3 0.05 0.04 -0.07 -0.04 2.02 2.00 2jk0G1 PRO 300 HG2 0.04 0.07 0.03 -0.04 2.03 2.13 2jk0G1 PRO 300 HG3 -0.01 0.01 -0.06 -0.04 2.03 1.92 2jk0G1 PRO 300 HD2 0.02 0.08 0.18 -0.04 3.68 3.93 2jk0G1 PRO 300 HD3 -0.00 0.26 0.23 -0.04 3.65 4.10 2jk0G1 ALA 301 H 0.04 0.15 -0.16 -0.55 8.40 7.89 2jk0G1 ALA 301 HA 0.06 0.06 0.25 -0.75 4.34 3.95 2jk0G1 ALA 301 HB3 0.04 0.01 0.00 -0.04 1.41 1.42 2jk0G1 LYS 302 H 0.01 0.09 -0.25 -0.55 8.42 7.72 2jk0G1 LYS 302 HA 0.13 0.02 0.31 -0.75 4.32 4.02 2jk0G1 LYS 302 HB2 -0.14 -0.04 0.06 -0.04 1.87 1.70 2jk0G1 LYS 302 HB3 -0.53 0.06 0.02 -0.04 1.79 1.30 2jk0G1 LYS 302 HG2 -0.10 0.10 0.02 -0.04 1.46 1.44 2jk0G1 LYS 302 HG3 -0.07 -0.17 -0.03 -0.04 1.46 1.15 2jk0G1 LYS 302 HD2 -0.23 -0.07 -0.02 -0.04 1.69 1.33 2jk0G1 LYS 302 HD3 -0.62 0.06 0.02 -0.04 1.68 1.10 2jk0G1 LYS 302 HE2 -0.04 -0.18 -0.09 -0.04 2.99 2.64 2jk0G1 LYS 302 HE3 -0.08 -0.02 -0.46 -0.04 2.99 2.39 2jk0G1 SER 303 H 0.08 0.71 -0.33 -0.55 8.46 8.37 2jk0G1 SER 303 HA 0.23 0.01 0.33 -0.75 4.49 4.31 2jk0G1 SER 303 HB2 0.15 0.10 0.03 -0.04 3.95 4.19 2jk0G1 SER 303 HB3 0.32 -0.09 -0.14 -0.04 3.93 3.99 2jk0G1 ARG 304 H 0.11 0.61 -0.15 -0.55 8.46 8.47 2jk0G1 ARG 304 HA 0.11 -0.01 0.22 -0.75 4.34 3.90 2jk0G1 ARG 304 HB2 0.08 -0.02 -0.00 -0.04 1.90 1.92 2jk0G1 ARG 304 HB3 0.07 0.07 0.07 -0.04 1.80 1.98 2jk0G1 ARG 304 HG2 0.06 -0.03 -0.17 -0.04 1.67 1.49 2jk0G1 ARG 304 HG3 0.07 -0.04 -0.20 -0.04 1.67 1.46 2jk0G1 ARG 304 HD2 0.05 0.26 -0.01 -0.04 3.22 3.47 2jk0G1 ARG 304 HD3 0.05 -0.08 -0.06 -0.04 3.22 3.10 2jk0G1 ILE 305 H 0.09 0.39 -0.21 -0.55 8.25 7.97 2jk0G1 ILE 305 HA 0.03 -0.02 0.29 -0.75 4.18 3.73 2jk0G1 ILE 305 HB 0.17 0.20 0.14 -0.04 1.89 2.35 2jk0G1 ILE 305 HG12 0.11 0.15 0.01 -0.04 1.49 1.71 2jk0G1 ILE 305 HG13 0.14 0.02 -0.01 -0.04 1.21 1.31 2jk0G1 ILE 305 HG23 -0.12 -0.01 -0.26 -0.04 0.93 0.50 2jk0G1 ILE 305 HD13 0.14 -0.03 -0.09 -0.04 0.88 0.86 2jk0G1 LEU 306 H 0.01 0.64 -0.03 -0.55 8.37 8.44 2jk0G1 LEU 306 HA -0.49 -0.00 0.34 -0.75 4.35 3.44 2jk0G1 LEU 306 HB2 -0.10 0.01 0.05 -0.04 1.64 1.56 2jk0G1 LEU 306 HB3 -0.37 0.10 0.08 -0.04 1.64 1.41 2jk0G1 LEU 306 HG -0.58 -0.02 -0.33 -0.04 1.64 0.68 2jk0G1 LEU 306 HD13 -0.58 -0.02 -0.03 -0.04 0.93 0.25 2jk0G1 LEU 306 HD23 -0.79 0.00 -0.19 -0.04 0.89 -0.13 2jk0G1 LEU 307 H 0.04 0.73 -0.20 -0.55 8.37 8.40 2jk0G1 LEU 307 HA 0.16 -0.02 0.37 -0.75 4.35 4.11 2jk0G1 LEU 307 HB2 0.40 -0.01 -0.04 -0.04 1.64 1.95 2jk0G1 LEU 307 HB3 0.15 0.12 -0.00 -0.04 1.64 1.86 2jk0G1 LEU 307 HG 0.11 0.02 -0.29 -0.04 1.64 1.44 2jk0G1 LEU 307 HD13 0.18 -0.01 -0.11 -0.04 0.93 0.95 2jk0G1 LEU 307 HD23 0.12 0.00 -0.22 -0.04 0.89 0.74 2jk0G1 MET 308 H -0.01 0.63 -0.21 -0.55 8.47 8.35 2jk0G1 MET 308 HA 0.02 0.03 0.31 -0.75 4.52 4.12 2jk0G1 MET 308 HB2 0.02 0.14 0.13 -0.04 2.15 2.40 2jk0G1 MET 308 HB3 -0.05 0.08 0.16 -0.04 2.03 2.17 2jk0G1 MET 308 HG2 0.03 -0.10 -0.11 -0.04 2.63 2.42 2jk0G1 MET 308 HG3 0.04 0.29 0.02 -0.04 2.56 2.86 2jk0G1 MET 308 HE3 0.17 -0.04 -0.05 -0.04 2.10 2.14 2jk0G1 LEU 309 H -0.25 0.56 -0.11 -0.55 8.37 8.02 2jk0G1 LEU 309 HA -0.19 0.01 0.40 -0.75 4.35 3.82 2jk0G1 LEU 309 HB2 -0.83 0.10 0.11 -0.04 1.64 0.98 2jk0G1 LEU 309 HB3 -0.77 -0.05 -0.05 -0.04 1.64 0.73 2jk0G1 LEU 309 HG -0.54 0.09 -0.05 -0.04 1.64 1.11 2jk0G1 LEU 309 HD13 -0.77 -0.00 -0.12 -0.04 0.93 -0.01 2jk0G1 LEU 309 HD23 -0.45 -0.03 -0.13 -0.04 0.89 0.23 2jk0G1 ALA 310 H -0.24 0.92 0.03 -0.55 8.40 8.57 2jk0G1 ALA 310 HA 0.34 -0.06 0.44 -0.75 4.34 4.31 2jk0G1 ALA 310 HB3 0.24 -0.01 0.07 -0.04 1.41 1.67 2jk0G1 LEU 311 H 0.02 0.45 -0.61 -0.55 8.37 7.69 2jk0G1 LEU 311 HA 0.07 0.21 0.58 -0.75 4.35 4.46 2jk0G1 LEU 311 HB2 0.04 0.19 0.11 -0.04 1.64 1.94 2jk0G1 LEU 311 HB3 0.04 -0.10 0.08 -0.04 1.64 1.62 2jk0G1 LEU 311 HG 0.08 -0.01 -0.08 -0.04 1.64 1.58 2jk0G1 LEU 311 HD13 0.06 -0.04 -0.21 -0.04 0.93 0.70 2jk0G1 LEU 311 HD23 0.05 0.04 0.06 -0.04 0.89 1.00 2jk0G1 THR 312 H 0.03 0.48 -0.20 -0.55 8.28 8.04 2jk0G1 THR 312 HA 0.04 0.08 0.78 -0.75 4.39 4.53 2jk0G1 THR 312 HB 0.03 -0.07 0.07 -0.04 4.32 4.31 2jk0G1 THR 312 HG23 0.01 -0.00 0.06 -0.04 1.22 1.24 2jk0G1 LYS 313 H 0.12 0.24 -0.18 -0.55 8.42 8.05 2jk0G1 LYS 313 HA 0.07 0.13 0.66 -0.75 4.32 4.42 2jk0G1 LYS 313 HB2 0.24 0.04 0.12 -0.04 1.87 2.23 2jk0G1 LYS 313 HB3 0.13 -0.08 -0.01 -0.04 1.79 1.79 2jk0G1 LYS 313 HG2 0.05 0.00 -0.05 -0.04 1.46 1.43 2jk0G1 LYS 313 HG3 0.14 0.00 -0.03 -0.04 1.46 1.53 2jk0G1 LYS 313 HD2 -0.12 0.31 0.01 -0.04 1.69 1.84 2jk0G1 LYS 313 HD3 -0.06 -0.09 -0.04 -0.04 1.68 1.45 2jk0G1 LYS 313 HE2 -0.04 -0.05 0.03 -0.04 2.99 2.89 2jk0G1 LYS 313 HE3 0.02 -0.04 0.03 -0.04 2.99 2.96 2jk0G1 THR 314 H 0.12 0.66 0.18 -0.55 8.28 8.69 2jk0G1 THR 314 HA 0.04 0.14 0.73 -0.75 4.39 4.55 2jk0G1 THR 314 HB 0.05 0.11 -0.21 -0.04 4.32 4.23 2jk0G1 THR 314 HG23 0.02 0.01 -0.12 -0.04 1.22 1.08 2jk0G1 THR 315 H 0.02 0.09 0.17 -0.55 8.28 8.02 2jk0G1 THR 315 HA 0.03 0.30 0.89 -0.75 4.39 4.86 2jk0G1 THR 315 HB 0.01 -0.04 0.03 -0.04 4.32 4.28 2jk0G1 THR 315 HG23 0.02 0.04 0.11 -0.04 1.22 1.35 2jk0G1 ASN 316 H 0.00 0.02 0.02 -0.55 8.53 8.02 2jk0G1 ASN 316 HA -0.01 0.15 0.42 -0.75 4.76 4.57 2jk0G1 ASN 316 HB2 -0.02 0.07 0.13 -0.04 2.88 3.03 2jk0G1 ASN 316 HB3 -0.04 -0.00 0.15 -0.04 2.79 2.86 2jk0G1 ASN 316 HD21 -0.02 0.02 -0.01 -0.04 7.03 6.98 2jk0G1 ASN 316 HD22 -0.02 0.06 0.03 -0.04 7.74 7.77 2jk0G1 PRO 317 HA -0.00 0.11 0.29 -0.51 4.44 4.32 2jk0G1 PRO 317 HB2 -0.02 0.02 0.04 -0.04 2.28 2.28 2jk0G1 PRO 317 HB3 -0.01 0.10 0.14 -0.04 2.02 2.21 2jk0G1 PRO 317 HG2 -0.02 -0.10 0.15 -0.04 2.03 2.02 2jk0G1 PRO 317 HG3 -0.01 0.12 0.13 -0.04 2.03 2.23 2jk0G1 PRO 317 HD2 -0.01 0.01 0.26 -0.04 3.68 3.90 2jk0G1 PRO 317 HD3 -0.00 0.43 0.34 -0.04 3.65 4.38 2jk0G1 ALA 318 H -0.03 0.17 -0.08 -0.55 8.40 7.91 2jk0G1 ALA 318 HA -0.03 0.07 0.33 -0.75 4.34 3.95 2jk0G1 ALA 318 HB3 -0.03 0.02 0.04 -0.04 1.41 1.40 2jk0G1 VAL 319 H -0.08 0.20 -0.41 -0.55 8.24 7.41 2jk0G1 VAL 319 HA -0.15 0.07 0.53 -0.75 4.13 3.84 2jk0G1 VAL 319 HB -0.16 0.13 0.10 -0.04 2.12 2.14 2jk0G1 VAL 319 HG13 -0.49 0.01 -0.14 -0.04 0.97 0.32 2jk0G1 VAL 319 HG23 -0.07 -0.01 -0.01 -0.04 0.95 0.81 2jk0G1 ILE 320 H -0.12 0.55 -0.02 -0.55 8.25 8.11 2jk0G1 ILE 320 HA -0.14 0.02 0.36 -0.75 4.18 3.66 2jk0G1 ILE 320 HB 0.04 0.06 0.04 -0.04 1.89 1.99 2jk0G1 ILE 320 HG12 0.11 -0.01 -0.09 -0.04 1.49 1.47 2jk0G1 ILE 320 HG13 -0.05 -0.01 -0.15 -0.04 1.21 0.96 2jk0G1 ILE 320 HG23 0.30 -0.01 -0.14 -0.04 0.93 1.04 2jk0G1 ILE 320 HD13 0.07 0.06 -0.30 -0.04 0.88 0.66 2jk0G1 GLN 321 H 0.00 0.62 -0.21 -0.55 8.47 8.34 2jk0G1 GLN 321 HA 0.14 -0.00 0.42 -0.75 4.36 4.17 2jk0G1 GLN 321 HB2 0.00 -0.01 0.06 -0.04 2.15 2.16 2jk0G1 GLN 321 HB3 -0.01 0.17 0.13 -0.04 2.02 2.26 2jk0G1 GLN 321 HG2 -0.03 -0.02 0.01 -0.04 2.40 2.31 2jk0G1 GLN 321 HG3 -0.08 0.02 -0.11 -0.04 2.39 2.18 2jk0G1 GLN 321 HE21 0.04 -0.03 0.10 -0.04 6.97 7.04 2jk0G1 GLN 321 HE22 0.02 0.04 0.03 -0.04 7.69 7.75 2jk0G1 ASP 322 H 0.00 0.38 -0.13 -0.55 8.40 8.10 2jk0G1 ASP 322 HA 0.10 -0.02 0.38 -0.75 4.63 4.33 2jk0G1 ASP 322 HB2 -0.01 0.15 0.18 -0.04 2.71 2.99 2jk0G1 ASP 322 HB3 0.14 -0.03 -0.01 -0.04 2.70 2.76 2jk0G1 TYR 323 H 0.17 0.40 -0.38 -0.55 8.29 7.93 2jk0G1 TYR 323 HA 0.32 -0.01 0.37 -0.75 4.56 4.48 2jk0G1 TYR 323 HB2 0.21 0.18 0.17 -0.04 3.06 3.57 2jk0G1 TYR 323 HB3 0.06 -0.06 -0.01 -0.04 2.98 2.93 2jk0G1 TYR 323 HD2 0.18 -0.02 -0.08 -0.04 7.15 7.19 2jk0G1 TYR 323 HE2 0.07 0.01 -0.04 -0.04 6.85 6.85 2jk0G1 PHE 324 H 0.64 0.51 -0.06 -0.55 8.34 8.87 2jk0G1 PHE 324 HA 0.21 -0.02 0.35 -0.75 4.62 4.42 2jk0G1 PHE 324 HB2 0.20 0.15 0.18 -0.04 3.15 3.64 2jk0G1 PHE 324 HB3 0.09 -0.01 -0.06 -0.04 3.06 3.03 2jk0G1 PHE 324 HD2 0.11 0.25 0.00 -0.04 7.28 7.60 2jk0G1 PHE 324 HE2 0.08 -0.05 -0.11 -0.04 7.38 7.26 2jk0G1 PHE 324 HZ 0.06 0.02 -0.10 -0.04 7.32 7.26 2jk0G1 HIS 325 H 0.51 0.37 -0.22 -0.55 8.41 8.52 2jk0G1 HIS 325 HA 0.16 0.03 0.55 -0.75 4.63 4.61 2jk0G1 HIS 325 HB2 0.14 0.06 0.08 -0.04 3.26 3.49 2jk0G1 HIS 325 HB3 0.10 -0.05 0.09 -0.04 3.20 3.30 2jk0G1 HIS 325 HD2 0.15 0.28 0.02 -0.04 6.97 7.38 2jk0G1 HIS 325 HE1 0.04 -0.04 0.00 -0.04 7.75 7.71 2jk0G1 ALA 326 H 0.32 0.32 -0.38 -0.55 8.40 8.12 2jk0G1 ALA 326 HA 0.10 0.15 0.87 -0.75 4.34 4.70 2jk0G1 ALA 326 HB3 0.15 -0.02 0.04 -0.04 1.41 1.53 2jk0G1 TYR 327 H 0.32 0.37 0.04 -0.55 8.29 8.47 2jk0G1 TYR 327 HA 0.08 0.18 0.64 -0.75 4.56 4.70 2jk0G1 TYR 327 HB2 0.08 0.17 0.07 -0.04 3.06 3.34 2jk0G1 TYR 327 HB3 0.07 -0.02 0.03 -0.04 2.98 3.01 2jk0G1 TYR 327 HD2 0.10 0.11 -0.03 -0.04 7.15 7.29 2jk0G1 TYR 327 HE2 -0.09 -0.02 -0.08 -0.04 6.85 6.62