============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 -23.134 48.675 7.477 -99.200 -91.000 TYR 14 0.840 -16.003 39.616 14.492 -99.200 -91.000 TYR 22 0.840 -0.037 55.927 17.405 -99.200 -91.000 HIS 23 0.900 -7.380 51.879 15.049 -99.200 -91.000 PHE 24 1.000 -0.676 49.623 16.157 -99.200 -91.000 TRP 34 1.040 -3.251 32.968 22.315 -99.200 -91.000 TRP6 34 1.020 -1.052 33.468 21.622 -99.200 -91.000 HIS 40 0.900 0.145 45.691 6.916 -99.200 -91.000 TYR 42 0.840 7.088 43.847 15.670 -99.200 -91.000 PHE 64 1.000 -8.909 51.062 27.017 -99.200 -91.000 HIS 73 0.900 3.521 32.265 8.527 -99.200 -91.000 TYR 76 0.840 5.372 40.522 7.093 -99.200 -91.000 TRP 121 1.040 -12.799 52.207 15.242 -99.200 -91.000 TRP6 121 1.020 -12.397 50.074 16.170 -99.200 -91.000 TYR 131 0.840 -7.317 57.975 9.127 -99.200 -91.000 TYR 152 0.840 -4.092 44.731 -6.638 -99.200 -91.000 PHE 161 1.000 -9.928 36.720 1.067 -99.200 -91.000 TYR 165 0.840 -19.152 45.689 -3.618 -99.200 -91.000 TRP 193 1.040 -1.377 43.293 -0.468 -99.200 -91.000 TRP6 193 1.020 -1.174 43.671 -2.793 -99.200 -91.000 TYR 206 0.840 -9.675 42.314 2.173 -99.200 -91.000 TYR 212 0.840 -1.212 32.098 6.544 -99.200 -91.000 TRP 215 1.040 2.130 29.867 12.448 -99.200 -91.000 TRP6 215 1.020 1.190 32.020 12.686 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g5nA1 ILE 7 HA 0.01 -0.09 0.16 -0.75 4.18 3.51 2g5nA1 ILE 7 HB -0.08 -0.03 -0.11 -0.04 1.89 1.63 2g5nA1 ILE 7 HG12 -0.06 -0.07 -0.18 -0.04 1.49 1.14 2g5nA1 ILE 7 HG13 -0.13 0.07 -0.25 -0.04 1.21 0.86 2g5nA1 ILE 7 HG23 -0.05 -0.03 -0.44 -0.04 0.93 0.37 2g5nA1 ILE 7 HD13 -0.00 -0.03 -0.28 -0.04 0.88 0.52 2g5nA1 VAL 8 H 0.01 0.71 0.14 -0.55 8.24 8.55 2g5nA1 VAL 8 HA -0.01 0.22 0.85 -0.75 4.13 4.44 2g5nA1 VAL 8 HB 0.02 -0.13 -0.15 -0.04 2.12 1.81 2g5nA1 VAL 8 HG13 -0.00 0.07 -0.27 -0.04 0.97 0.73 2g5nA1 VAL 8 HG23 -0.01 -0.01 -0.68 -0.04 0.95 0.22 2g5nA1 GLY 9 H -0.01 0.20 0.19 -0.55 8.43 8.26 2g5nA1 GLY 9 HA2 -0.01 -0.02 0.41 -0.51 4.01 3.88 2g5nA1 GLY 9 HA3 -0.01 0.28 0.65 -0.51 4.01 4.42 2g5nA1 GLY 10 H -0.01 0.06 -0.40 -0.55 8.43 7.53 2g5nA1 GLY 10 HA2 0.06 0.10 0.74 -0.51 4.01 4.41 2g5nA1 GLY 10 HA3 -0.05 0.09 0.25 -0.51 4.01 3.79 2g5nA1 TYR 11 H -0.33 0.59 0.36 -0.55 8.29 8.36 2g5nA1 TYR 11 HA -0.02 0.13 0.73 -0.75 4.56 4.64 2g5nA1 TYR 11 HB2 -0.02 -0.01 0.05 -0.04 3.06 3.04 2g5nA1 TYR 11 HB3 -0.02 0.08 -0.18 -0.04 2.98 2.81 2g5nA1 TYR 11 HD2 -0.02 0.14 -0.28 -0.04 7.15 6.95 2g5nA1 TYR 11 HE2 -0.02 -0.01 -0.14 -0.04 6.85 6.64 2g5nA1 THR 12 H 0.10 0.14 0.11 -0.55 8.28 8.09 2g5nA1 THR 12 HA -0.08 0.17 0.56 -0.75 4.39 4.29 2g5nA1 THR 12 HB 0.05 0.01 0.13 -0.04 4.32 4.47 2g5nA1 THR 12 HG23 0.01 -0.02 -0.12 -0.04 1.22 1.05 2g5nA1 CYS 13 H -0.19 0.44 0.27 -0.55 8.50 8.47 2g5nA1 CYS 13 HA -0.03 0.04 0.26 -0.75 4.58 4.09 2g5nA1 CYS 13 HB2 -0.14 -0.07 0.02 -0.04 2.97 2.75 2g5nA1 CYS 13 HB3 -0.11 -0.01 -0.09 -0.04 2.97 2.72 2g5nA1 GLY 14 H -0.03 0.02 -0.19 -0.55 8.43 7.68 2g5nA1 GLY 14 HA2 0.02 -0.04 0.27 -0.51 4.01 3.75 2g5nA1 GLY 14 HA3 0.02 0.28 0.75 -0.51 4.01 4.54 2g5nA1 ALA 15 H 0.02 0.13 0.08 -0.55 8.40 8.08 2g5nA1 ALA 15 HA 0.02 -0.08 0.38 -0.75 4.34 3.91 2g5nA1 ALA 15 HB3 0.02 0.02 0.08 -0.04 1.41 1.49 2g5nA1 ASN 16 H 0.02 0.11 0.14 -0.55 8.53 8.26 2g5nA1 ASN 16 HA -0.01 0.06 0.24 -0.75 4.76 4.30 2g5nA1 ASN 16 HB2 0.01 0.17 -0.05 -0.04 2.88 2.96 2g5nA1 ASN 16 HB3 0.01 0.03 0.19 -0.04 2.79 2.98 2g5nA1 ASN 16 HD21 0.05 0.20 -0.25 -0.04 7.03 6.99 2g5nA1 ASN 16 HD22 0.04 0.08 -0.11 -0.04 7.74 7.71 2g5nA1 THR 17 H -0.04 0.42 -0.28 -0.55 8.28 7.83 2g5nA1 THR 17 HA -0.02 0.12 0.42 -0.75 4.39 4.16 2g5nA1 THR 17 HB -0.04 -0.02 -0.17 -0.04 4.32 4.05 2g5nA1 THR 17 HG23 0.01 -0.01 -0.06 -0.04 1.22 1.12 2g5nA1 VAL 18 H -0.13 0.04 -0.41 -0.55 8.24 7.19 2g5nA1 VAL 18 HA -0.32 0.19 0.75 -0.75 4.13 3.99 2g5nA1 VAL 18 HB -0.31 -0.00 0.16 -0.04 2.12 1.92 2g5nA1 VAL 18 HG13 -0.70 -0.03 0.02 -0.04 0.97 0.21 2g5nA1 VAL 18 HG23 -0.17 0.01 -0.20 -0.04 0.95 0.54 2g5nA1 PRO 19 HA -0.04 0.18 0.40 -0.51 4.44 4.47 2g5nA1 PRO 19 HB2 0.04 -0.18 -0.20 -0.04 2.28 1.90 2g5nA1 PRO 19 HB3 0.00 0.22 0.02 -0.04 2.02 2.22 2g5nA1 PRO 19 HG2 0.11 -0.03 -0.10 -0.04 2.03 1.97 2g5nA1 PRO 19 HG3 0.05 0.09 -0.02 -0.04 2.03 2.11 2g5nA1 PRO 19 HD2 -0.10 0.10 -0.00 -0.04 3.68 3.64 2g5nA1 PRO 19 HD3 -0.05 0.30 -0.36 -0.04 3.65 3.51 2g5nA1 TYR 20 H -0.60 0.01 -0.44 -0.55 8.29 6.71 2g5nA1 TYR 20 HA 0.05 0.37 0.88 -0.75 4.56 5.11 2g5nA1 TYR 20 HB2 0.04 -0.09 0.18 -0.04 3.06 3.14 2g5nA1 TYR 20 HB3 0.03 0.09 -0.18 -0.04 2.98 2.88 2g5nA1 TYR 20 HD2 0.02 0.02 -0.20 -0.04 7.15 6.96 2g5nA1 TYR 20 HE2 0.00 0.01 -0.06 -0.04 6.85 6.76 2g5nA1 GLN 21 H -0.35 0.39 -0.04 -0.55 8.47 7.93 2g5nA1 GLN 21 HA 0.07 0.13 0.73 -0.75 4.36 4.54 2g5nA1 GLN 21 HB2 -0.25 -0.09 0.16 -0.04 2.15 1.92 2g5nA1 GLN 21 HB3 -0.18 0.15 0.23 -0.04 2.02 2.18 2g5nA1 GLN 21 HG2 -0.51 -0.09 -0.06 -0.04 2.40 1.70 2g5nA1 GLN 21 HG3 0.18 0.06 -0.36 -0.04 2.39 2.24 2g5nA1 GLN 21 HE21 0.11 -0.06 0.22 -0.04 6.97 7.20 2g5nA1 GLN 21 HE22 0.33 0.34 0.21 -0.04 7.69 8.53 2g5nA1 VAL 22 H 0.16 0.54 0.43 -0.55 8.24 8.83 2g5nA1 VAL 22 HA 0.17 0.24 1.00 -0.75 4.13 4.79 2g5nA1 VAL 22 HB 0.10 -0.05 -0.21 -0.04 2.12 1.92 2g5nA1 VAL 22 HG13 0.02 -0.03 -0.32 -0.04 0.97 0.61 2g5nA1 VAL 22 HG23 0.09 0.01 -0.27 -0.04 0.95 0.74 2g5nA1 SER 23 H 0.03 0.58 0.32 -0.55 8.46 8.85 2g5nA1 SER 23 HA 0.15 0.23 1.03 -0.75 4.49 5.14 2g5nA1 SER 23 HB2 -0.86 -0.00 0.01 -0.04 3.95 3.06 2g5nA1 SER 23 HB3 -0.30 -0.02 0.16 -0.04 3.93 3.73 2g5nA1 LEU 24 H -0.33 0.80 0.32 -0.55 8.37 8.62 2g5nA1 LEU 24 HA -0.24 0.12 0.77 -0.75 4.35 4.24 2g5nA1 LEU 24 HB2 -1.19 -0.05 0.10 -0.04 1.64 0.45 2g5nA1 LEU 24 HB3 -0.55 0.01 -0.08 -0.04 1.64 0.97 2g5nA1 LEU 24 HG -0.21 0.07 -0.44 -0.04 1.64 1.02 2g5nA1 LEU 24 HD13 -0.12 -0.01 -0.19 -0.04 0.93 0.57 2g5nA1 LEU 24 HD23 -0.08 -0.02 -0.30 -0.04 0.89 0.46 2g5nA1 ASN 25 H -0.18 0.70 0.33 -0.55 8.53 8.84 2g5nA1 ASN 25 HA -0.18 0.36 0.99 -0.75 4.76 5.17 2g5nA1 ASN 25 HB2 -0.26 0.01 -0.24 -0.04 2.88 2.34 2g5nA1 ASN 25 HB3 -0.26 0.06 0.06 -0.04 2.79 2.61 2g5nA1 ASN 25 HD21 -0.15 0.06 -0.29 -0.04 7.03 6.61 2g5nA1 ASN 25 HD22 -0.20 0.04 -0.26 -0.04 7.74 7.27 2g5nA1 SER 26 H -0.36 0.47 0.18 -0.55 8.46 8.20 2g5nA1 SER 26 HA -0.18 0.31 0.85 -0.75 4.49 4.72 2g5nA1 SER 26 HB2 -0.31 0.06 0.18 -0.04 3.95 3.83 2g5nA1 SER 26 HB3 -0.30 0.01 -0.10 -0.04 3.93 3.50 2g5nA1 GLY 27 H -0.22 0.12 -0.14 -0.55 8.43 7.64 2g5nA1 GLY 27 HA2 -0.07 0.00 0.29 -0.51 4.01 3.72 2g5nA1 GLY 27 HA3 -0.01 0.21 0.78 -0.51 4.01 4.48 2g5nA1 TYR 28 H -0.49 0.02 -0.04 -0.55 8.29 7.23 2g5nA1 TYR 28 HA -0.05 0.09 0.47 -0.75 4.56 4.31 2g5nA1 TYR 28 HB2 -0.02 0.07 0.01 -0.04 3.06 3.08 2g5nA1 TYR 28 HB3 -0.03 0.13 -0.06 -0.04 2.98 2.98 2g5nA1 TYR 28 HD2 -0.00 0.16 -0.47 -0.04 7.15 6.79 2g5nA1 TYR 28 HE2 -0.05 0.03 -0.08 -0.04 6.85 6.72 2g5nA1 HIS 29 H 0.11 0.14 0.12 -0.55 8.41 8.24 2g5nA1 HIS 29 HA -0.20 0.19 0.60 -0.75 4.63 4.45 2g5nA1 HIS 29 HB2 -0.30 -0.02 0.09 -0.04 3.26 2.99 2g5nA1 HIS 29 HB3 -0.11 0.00 0.15 -0.04 3.20 3.20 2g5nA1 HIS 29 HD2 0.06 0.00 -0.21 -0.04 6.97 6.77 2g5nA1 HIS 29 HE1 0.24 0.02 -0.14 -0.04 7.75 7.82 2g5nA1 PHE 30 H -0.82 0.41 0.44 -0.55 8.34 7.81 2g5nA1 PHE 30 HA -0.10 0.16 0.92 -0.75 4.62 4.85 2g5nA1 PHE 30 HB2 0.02 -0.03 0.09 -0.04 3.15 3.19 2g5nA1 PHE 30 HB3 0.03 -0.00 -0.20 -0.04 3.06 2.85 2g5nA1 PHE 30 HD2 -0.26 -0.04 -0.16 -0.04 7.28 6.79 2g5nA1 PHE 30 HE2 -0.18 0.07 -0.29 -0.04 7.38 6.93 2g5nA1 PHE 30 HZ -0.16 -0.06 -0.20 -0.04 7.32 6.86 2g5nA1 CYS 31 H -1.13 0.17 0.37 -0.55 8.50 7.36 2g5nA1 CYS 31 HA -0.14 0.09 0.50 -0.75 4.58 4.29 2g5nA1 CYS 31 HB2 -0.66 -0.11 -0.10 -0.04 2.97 2.06 2g5nA1 CYS 31 HB3 -0.19 0.18 0.10 -0.04 2.97 3.03 2g5nA1 GLY 32 H 0.03 0.69 0.18 -0.55 8.43 8.78 2g5nA1 GLY 32 HA2 0.20 0.23 1.00 -0.51 4.01 4.93 2g5nA1 GLY 32 HA3 0.18 -0.01 0.40 -0.51 4.01 4.07 2g5nA1 GLY 33 H 0.13 0.38 0.38 -0.55 8.43 8.78 2g5nA1 GLY 33 HA2 0.07 0.41 0.61 -0.51 4.01 4.59 2g5nA1 GLY 33 HA3 0.05 -0.06 0.27 -0.51 4.01 3.76 2g5nA1 SER 34 H 0.10 0.59 0.40 -0.55 8.46 9.00 2g5nA1 SER 34 HA 0.19 0.37 1.10 -0.75 4.49 5.39 2g5nA1 SER 34 HB2 0.10 -0.05 0.13 -0.04 3.95 4.08 2g5nA1 SER 34 HB3 0.12 0.02 0.02 -0.04 3.93 4.05 2g5nA1 LEU 35 H 0.18 0.60 0.33 -0.55 8.37 8.93 2g5nA1 LEU 35 HA 0.11 0.12 0.75 -0.75 4.35 4.58 2g5nA1 LEU 35 HB2 0.11 0.02 0.06 -0.04 1.64 1.79 2g5nA1 LEU 35 HB3 0.13 0.11 0.20 -0.04 1.64 2.04 2g5nA1 LEU 35 HG 0.09 -0.10 -0.26 -0.04 1.64 1.33 2g5nA1 LEU 35 HD13 0.07 0.03 -0.09 -0.04 0.93 0.90 2g5nA1 LEU 35 HD23 0.07 -0.01 -0.36 -0.04 0.89 0.55 2g5nA1 ILE 36 H 0.13 0.58 0.44 -0.55 8.25 8.84 2g5nA1 ILE 36 HA 0.05 0.24 1.07 -0.75 4.18 4.79 2g5nA1 ILE 36 HB 0.03 -0.03 0.10 -0.04 1.89 1.95 2g5nA1 ILE 36 HG12 0.15 0.08 -0.14 -0.04 1.49 1.54 2g5nA1 ILE 36 HG13 0.13 -0.04 -0.13 -0.04 1.21 1.12 2g5nA1 ILE 36 HG23 0.05 0.03 -0.10 -0.04 0.93 0.88 2g5nA1 ILE 36 HD13 -0.03 -0.01 -0.12 -0.04 0.88 0.68 2g5nA1 ASN 37 H 0.13 0.43 0.29 -0.55 8.53 8.83 2g5nA1 ASN 37 HA 0.07 0.12 0.31 -0.75 4.76 4.51 2g5nA1 ASN 37 HB2 0.09 -0.04 0.20 -0.04 2.88 3.08 2g5nA1 ASN 37 HB3 0.07 0.25 0.10 -0.04 2.79 3.17 2g5nA1 ASN 37 HD21 0.16 0.04 -0.09 -0.04 7.03 7.09 2g5nA1 ASN 37 HD22 0.04 0.09 -0.10 -0.04 7.74 7.73 2g5nA1 SER 38 H 0.07 0.20 0.13 -0.55 8.46 8.31 2g5nA1 SER 38 HA 0.05 0.11 0.31 -0.75 4.49 4.20 2g5nA1 SER 38 HB2 0.02 0.19 0.18 -0.04 3.95 4.30 2g5nA1 SER 38 HB3 0.04 0.00 0.15 -0.04 3.93 4.08 2g5nA1 GLN 39 H 0.13 -0.02 -0.43 -0.55 8.47 7.60 2g5nA1 GLN 39 HA -0.11 0.27 1.08 -0.75 4.36 4.84 2g5nA1 GLN 39 HB2 0.05 0.00 -0.01 -0.04 2.15 2.14 2g5nA1 GLN 39 HB3 -0.32 0.07 0.11 -0.04 2.02 1.84 2g5nA1 GLN 39 HG2 -0.05 0.04 -0.18 -0.04 2.40 2.16 2g5nA1 GLN 39 HG3 0.02 -0.13 -0.22 -0.04 2.39 2.03 2g5nA1 GLN 39 HE21 0.04 0.04 -0.03 -0.04 6.97 6.98 2g5nA1 GLN 39 HE22 0.04 -0.06 -0.04 -0.04 7.69 7.60 2g5nA1 TRP 40 H 0.21 0.19 0.02 -0.55 7.97 7.84 2g5nA1 TRP 40 HA -0.00 0.40 1.26 -0.75 4.62 5.52 2g5nA1 TRP 40 HB2 -0.02 -0.11 0.01 -0.04 3.23 3.07 2g5nA1 TRP 40 HB3 -0.02 0.05 -0.06 -0.04 3.23 3.16 2g5nA1 TRP 40 HD1 -0.02 -0.15 -0.18 -0.04 7.22 6.84 2g5nA1 TRP 40 HE1 -0.03 0.07 -0.04 -0.04 10.20 10.15 2g5nA1 TRP 40 HE3 -0.04 -0.01 -0.20 -0.04 7.59 7.30 2g5nA1 TRP 40 HZ2 -0.04 0.03 0.00 -0.04 7.44 7.38 2g5nA1 TRP 40 HZ3 -0.04 -0.04 -0.32 -0.04 7.13 6.69 2g5nA1 TRP 40 HH2 -0.05 0.04 -0.13 -0.04 7.19 7.00 2g5nA1 VAL 41 H 0.23 0.67 0.40 -0.55 8.24 8.99 2g5nA1 VAL 41 HA 0.14 0.25 1.11 -0.75 4.13 4.87 2g5nA1 VAL 41 HB 0.07 -0.00 0.03 -0.04 2.12 2.18 2g5nA1 VAL 41 HG13 0.07 -0.02 -0.30 -0.04 0.97 0.68 2g5nA1 VAL 41 HG23 0.06 -0.01 -0.28 -0.04 0.95 0.67 2g5nA1 VAL 42 H 0.12 0.70 0.42 -0.55 8.24 8.93 2g5nA1 VAL 42 HA 0.14 0.24 1.10 -0.75 4.13 4.84 2g5nA1 VAL 42 HB 0.09 -0.00 0.18 -0.04 2.12 2.35 2g5nA1 VAL 42 HG13 0.11 0.00 -0.08 -0.04 0.97 0.96 2g5nA1 VAL 42 HG23 0.09 -0.02 -0.06 -0.04 0.95 0.92 2g5nA1 SER 43 H 0.10 0.61 0.35 -0.55 8.46 8.98 2g5nA1 SER 43 HA 0.05 0.42 0.85 -0.75 4.49 5.05 2g5nA1 SER 43 HB2 0.03 -0.03 -0.16 -0.04 3.95 3.75 2g5nA1 SER 43 HB3 0.04 -0.03 -0.09 -0.04 3.93 3.80 2g5nA1 ALA 44 H -0.05 0.22 0.22 -0.55 8.40 8.25 2g5nA1 ALA 44 HA -0.04 0.27 0.68 -0.75 4.34 4.49 2g5nA1 ALA 44 HB3 -0.15 0.02 0.08 -0.04 1.41 1.32 2g5nA1 ALA 45 H -0.19 0.12 -0.36 -0.55 8.40 7.43 2g5nA1 ALA 45 HA -0.16 0.10 0.24 -0.75 4.34 3.77 2g5nA1 ALA 45 HB3 -0.90 0.06 0.06 -0.04 1.41 0.59 2g5nA1 HIS 46 H -0.07 0.07 -0.27 -0.55 8.41 7.60 2g5nA1 HIS 46 HA 0.06 0.14 0.43 -0.75 4.63 4.51 2g5nA1 HIS 46 HB2 0.13 0.06 0.12 -0.04 3.26 3.53 2g5nA1 HIS 46 HB3 0.15 -0.05 0.05 -0.04 3.20 3.30 2g5nA1 HIS 46 HD2 0.09 0.03 -0.10 -0.04 6.97 6.94 2g5nA1 HIS 46 HE1 0.09 0.14 0.21 -0.04 7.75 8.15 2g5nA1 CYS 47 H -0.14 0.29 -0.81 -0.55 8.50 7.29 2g5nA1 CYS 47 HA 0.06 0.17 0.59 -0.75 4.58 4.64 2g5nA1 CYS 47 HB2 -0.04 0.19 0.01 -0.04 2.97 3.09 2g5nA1 CYS 47 HB3 0.14 -0.02 -0.02 -0.04 2.97 3.03 2g5nA1 TYR 48 H 0.12 0.35 -0.32 -0.55 8.29 7.89 2g5nA1 TYR 48 HA 0.03 -0.05 0.27 -0.75 4.56 4.06 2g5nA1 TYR 48 HB2 -0.01 -0.07 0.07 -0.04 3.06 3.00 2g5nA1 TYR 48 HB3 0.00 0.08 0.07 -0.04 2.98 3.09 2g5nA1 TYR 48 HD2 0.02 -0.02 -0.15 -0.04 7.15 6.96 2g5nA1 TYR 48 HE2 0.01 -0.02 -0.13 -0.04 6.85 6.68 2g5nA1 LYS 49 H -0.72 0.25 0.17 -0.55 8.42 7.57 2g5nA1 LYS 49 HA -0.69 0.03 0.46 -0.75 4.32 3.37 2g5nA1 LYS 49 HB2 -0.49 0.17 -0.18 -0.04 1.87 1.34 2g5nA1 LYS 49 HB3 -0.49 -0.04 -0.17 -0.04 1.79 1.05 2g5nA1 LYS 49 HG2 -0.33 0.42 -0.03 -0.04 1.46 1.47 2g5nA1 LYS 49 HG3 -0.32 -0.11 0.09 -0.04 1.46 1.08 2g5nA1 LYS 49 HD2 -0.71 -0.04 -0.13 -0.04 1.69 0.77 2g5nA1 LYS 49 HD3 -0.37 -0.02 -0.01 -0.04 1.68 1.24 2g5nA1 LYS 49 HE2 -0.43 -0.01 -0.03 -0.04 2.99 2.47 2g5nA1 LYS 49 HE3 -1.28 0.05 -0.12 -0.04 2.99 1.61 2g5nA1 SER 50 H -0.30 0.14 0.11 -0.55 8.46 7.86 2g5nA1 SER 50 HA -0.14 0.10 0.67 -0.75 4.49 4.37 2g5nA1 SER 50 HB2 -0.06 0.00 0.07 -0.04 3.95 3.93 2g5nA1 SER 50 HB3 -0.09 0.03 0.03 -0.04 3.93 3.87 2g5nA1 GLY 51 H -0.07 0.11 0.13 -0.55 8.43 8.06 2g5nA1 GLY 51 HA2 -0.06 0.03 0.31 -0.51 4.01 3.78 2g5nA1 GLY 51 HA3 -0.09 0.06 0.37 -0.51 4.01 3.84 2g5nA1 ILE 52 H -0.06 0.05 -0.06 -0.55 8.25 7.63 2g5nA1 ILE 52 HA -0.01 0.27 0.67 -0.75 4.18 4.36 2g5nA1 ILE 52 HB -0.01 -0.08 0.01 -0.04 1.89 1.77 2g5nA1 ILE 52 HG12 0.15 0.05 -0.27 -0.04 1.49 1.38 2g5nA1 ILE 52 HG13 -0.08 0.05 -0.40 -0.04 1.21 0.74 2g5nA1 ILE 52 HG23 0.02 -0.03 -0.32 -0.04 0.93 0.56 2g5nA1 ILE 52 HD13 0.06 -0.03 -0.11 -0.04 0.88 0.76 2g5nA1 GLN 53 H -0.06 0.70 0.34 -0.55 8.47 8.91 2g5nA1 GLN 53 HA -0.06 0.06 0.90 -0.75 4.36 4.51 2g5nA1 GLN 53 HB2 -0.10 0.01 -0.06 -0.04 2.15 1.97 2g5nA1 GLN 53 HB3 -0.16 -0.00 0.10 -0.04 2.02 1.92 2g5nA1 GLN 53 HG2 -0.13 0.09 -0.36 -0.04 2.40 1.96 2g5nA1 GLN 53 HG3 -0.05 -0.06 -0.30 -0.04 2.39 1.94 2g5nA1 GLN 53 HE21 0.01 -0.00 -0.11 -0.04 6.97 6.83 2g5nA1 GLN 53 HE22 0.01 -0.01 -0.17 -0.04 7.69 7.48 2g5nA1 VAL 54 H -0.05 0.72 0.23 -0.55 8.24 8.59 2g5nA1 VAL 54 HA -0.08 0.13 0.73 -0.75 4.13 4.17 2g5nA1 VAL 54 HB -0.02 0.07 0.11 -0.04 2.12 2.24 2g5nA1 VAL 54 HG13 0.01 -0.01 -0.26 -0.04 0.97 0.66 2g5nA1 VAL 54 HG23 -0.03 -0.01 -0.18 -0.04 0.95 0.69 2g5nA1 ARG 55 H -0.08 0.66 0.34 -0.55 8.46 8.83 2g5nA1 ARG 55 HA 0.12 0.25 1.13 -0.75 4.34 5.09 2g5nA1 ARG 55 HB2 -0.18 -0.01 0.19 -0.04 1.90 1.87 2g5nA1 ARG 55 HB3 -0.03 -0.03 -0.01 -0.04 1.80 1.69 2g5nA1 ARG 55 HG2 -0.64 -0.00 -0.21 -0.04 1.67 0.77 2g5nA1 ARG 55 HG3 -0.34 0.09 -0.23 -0.04 1.67 1.16 2g5nA1 ARG 55 HD2 -0.43 -0.02 -0.13 -0.04 3.22 2.60 2g5nA1 ARG 55 HD3 -0.69 -0.01 -0.10 -0.04 3.22 2.38 2g5nA1 LEU 56 H 0.14 0.71 0.33 -0.55 8.37 9.01 2g5nA1 LEU 56 HA 0.10 0.21 0.94 -0.75 4.35 4.85 2g5nA1 LEU 56 HB2 0.06 -0.01 0.05 -0.04 1.64 1.70 2g5nA1 LEU 56 HB3 0.07 0.05 0.11 -0.04 1.64 1.82 2g5nA1 LEU 56 HG 0.06 -0.02 -0.25 -0.04 1.64 1.39 2g5nA1 LEU 56 HD13 0.05 -0.00 -0.12 -0.04 0.93 0.82 2g5nA1 LEU 56 HD23 0.05 0.01 -0.11 -0.04 0.89 0.79 2g5nA1 GLY 57 H 0.08 0.32 0.22 -0.55 8.43 8.50 2g5nA1 GLY 57 HA2 0.06 0.22 0.34 -0.51 4.01 4.12 2g5nA1 GLY 57 HA3 0.04 0.25 0.37 -0.51 4.01 4.17 2g5nA1 GLU 58 H 0.16 0.15 -0.27 -0.55 8.60 8.09 2g5nA1 GLU 58 HA 0.11 0.05 0.54 -0.75 4.29 4.24 2g5nA1 GLU 58 HB2 0.19 0.07 -0.09 -0.04 2.09 2.22 2g5nA1 GLU 58 HB3 -0.00 0.01 -0.25 -0.04 1.99 1.71 2g5nA1 GLU 58 HG2 0.11 0.05 -0.43 -0.04 2.34 2.03 2g5nA1 GLU 58 HG3 -0.10 0.05 -0.17 -0.04 2.34 2.07 2g5nA1 ASP 59 H 0.14 0.14 -0.05 -0.55 8.40 8.09 2g5nA1 ASP 59 HA 0.27 0.14 0.75 -0.75 4.63 5.04 2g5nA1 ASP 59 HB2 0.09 0.01 0.02 -0.04 2.71 2.80 2g5nA1 ASP 59 HB3 0.10 -0.09 0.22 -0.04 2.70 2.89 2g5nA1 ASN 60 H 0.10 0.13 0.16 -0.55 8.53 8.38 2g5nA1 ASN 60 HA 0.15 0.42 0.53 -0.75 4.76 5.11 2g5nA1 ASN 60 HB2 0.07 -0.01 0.07 -0.04 2.88 2.96 2g5nA1 ASN 60 HB3 0.05 0.04 0.22 -0.04 2.79 3.06 2g5nA1 ASN 60 HD21 0.04 0.05 -0.05 -0.04 7.03 7.02 2g5nA1 ASN 60 HD22 0.05 0.01 -0.04 -0.04 7.74 7.71 2g5nA1 ILE 61 H -0.11 0.70 0.29 -0.55 8.25 8.58 2g5nA1 ILE 61 HA -0.19 0.04 0.35 -0.75 4.18 3.63 2g5nA1 ILE 61 HB -0.41 -0.04 0.10 -0.04 1.89 1.49 2g5nA1 ILE 61 HG12 -0.44 0.24 0.18 -0.04 1.49 1.43 2g5nA1 ILE 61 HG13 -0.21 -0.06 -0.04 -0.04 1.21 0.86 2g5nA1 ILE 61 HG23 -1.34 0.02 -0.05 -0.04 0.93 -0.48 2g5nA1 ILE 61 HD13 -0.52 0.01 0.02 -0.04 0.88 0.34 2g5nA1 ASN 62 H -0.03 0.01 -0.44 -0.55 8.53 7.52 2g5nA1 ASN 62 HA -0.03 0.25 0.89 -0.75 4.76 5.12 2g5nA1 ASN 62 HB2 0.00 -0.06 0.01 -0.04 2.88 2.80 2g5nA1 ASN 62 HB3 0.00 0.01 0.11 -0.04 2.79 2.86 2g5nA1 ASN 62 HD21 0.00 0.05 -0.04 -0.04 7.03 6.99 2g5nA1 ASN 62 HD22 0.01 -0.04 -0.03 -0.04 7.74 7.64 2g5nA1 VAL 63 H 0.01 0.42 -0.18 -0.55 8.24 7.94 2g5nA1 VAL 63 HA 0.02 0.19 0.85 -0.75 4.13 4.44 2g5nA1 VAL 63 HB 0.02 -0.07 0.02 -0.04 2.12 2.05 2g5nA1 VAL 63 HG13 0.02 0.01 -0.22 -0.04 0.97 0.74 2g5nA1 VAL 63 HG23 0.02 -0.01 -0.22 -0.04 0.95 0.69 2g5nA1 VAL 64 H 0.02 0.20 0.06 -0.55 8.24 7.97 2g5nA1 VAL 64 HA 0.02 0.05 0.58 -0.75 4.13 4.03 2g5nA1 VAL 64 HB -0.00 0.03 0.17 -0.04 2.12 2.28 2g5nA1 VAL 64 HG13 -0.06 -0.00 -0.10 -0.04 0.97 0.76 2g5nA1 VAL 64 HG23 0.04 0.02 -0.03 -0.04 0.95 0.94 2g5nA1 GLU 65 H 0.01 0.14 0.23 -0.55 8.60 8.44 2g5nA1 GLU 65 HA 0.00 0.24 0.80 -0.75 4.29 4.58 2g5nA1 GLU 65 HB2 0.02 -0.04 0.12 -0.04 2.09 2.15 2g5nA1 GLU 65 HB3 0.02 0.03 0.11 -0.04 1.99 2.10 2g5nA1 GLU 65 HG2 0.02 0.04 -0.10 -0.04 2.34 2.27 2g5nA1 GLU 65 HG3 0.03 0.22 -0.15 -0.04 2.34 2.39 2g5nA1 GLY 66 H -0.03 -0.01 0.00 -0.55 8.43 7.84 2g5nA1 GLY 66 HA2 -0.04 0.05 0.28 -0.51 4.01 3.78 2g5nA1 GLY 66 HA3 -0.02 0.29 0.94 -0.51 4.01 4.71 2g5nA1 ASN 67 H -0.01 0.03 -0.01 -0.55 8.53 7.99 2g5nA1 ASN 67 HA -0.02 0.28 0.97 -0.75 4.76 5.22 2g5nA1 ASN 67 HB2 0.01 0.07 0.05 -0.04 2.88 2.96 2g5nA1 ASN 67 HB3 0.00 -0.02 0.15 -0.04 2.79 2.88 2g5nA1 ASN 67 HD21 0.00 0.03 -0.11 -0.04 7.03 6.91 2g5nA1 ASN 67 HD22 0.01 -0.03 -0.11 -0.04 7.74 7.58 2g5nA1 GLU 68 H -0.08 -0.16 -0.09 -0.55 8.60 7.73 2g5nA1 GLU 68 HA 0.00 0.39 0.60 -0.75 4.29 4.53 2g5nA1 GLU 68 HB2 -0.36 -0.08 -0.05 -0.04 2.09 1.57 2g5nA1 GLU 68 HB3 -0.07 0.04 -0.06 -0.04 1.99 1.86 2g5nA1 GLU 68 HG2 0.15 0.05 -0.09 -0.04 2.34 2.41 2g5nA1 GLU 68 HG3 0.05 0.19 -0.20 -0.04 2.34 2.34 2g5nA1 GLN 69 H 0.06 0.51 0.17 -0.55 8.47 8.66 2g5nA1 GLN 69 HA -0.09 0.11 0.66 -0.75 4.36 4.28 2g5nA1 GLN 69 HB2 0.03 -0.07 0.06 -0.04 2.15 2.13 2g5nA1 GLN 69 HB3 0.02 0.01 -0.03 -0.04 2.02 1.97 2g5nA1 GLN 69 HG2 -0.03 0.05 -0.00 -0.04 2.40 2.37 2g5nA1 GLN 69 HG3 -0.02 0.09 -0.44 -0.04 2.39 1.99 2g5nA1 GLN 69 HE21 0.01 0.58 0.13 -0.04 6.97 7.65 2g5nA1 GLN 69 HE22 0.00 0.01 -0.07 -0.04 7.69 7.59 2g5nA1 PHE 70 H -0.01 0.21 0.07 -0.55 8.34 8.06 2g5nA1 PHE 70 HA -0.04 0.29 0.96 -0.75 4.62 5.08 2g5nA1 PHE 70 HB2 -0.03 -0.02 0.12 -0.04 3.15 3.18 2g5nA1 PHE 70 HB3 -0.04 0.02 -0.06 -0.04 3.06 2.94 2g5nA1 PHE 70 HD2 -0.04 0.06 -0.28 -0.04 7.28 6.98 2g5nA1 PHE 70 HE2 -0.05 0.01 -0.12 -0.04 7.38 7.18 2g5nA1 PHE 70 HZ -0.05 0.00 -0.12 -0.04 7.32 7.11 2g5nA1 ILE 71 H 0.06 0.77 0.25 -0.55 8.25 8.79 2g5nA1 ILE 71 HA 0.03 0.13 0.95 -0.75 4.18 4.53 2g5nA1 ILE 71 HB -0.00 -0.01 0.04 -0.04 1.89 1.88 2g5nA1 ILE 71 HG12 0.01 0.07 -0.19 -0.04 1.49 1.34 2g5nA1 ILE 71 HG13 0.04 -0.15 -0.72 -0.04 1.21 0.34 2g5nA1 ILE 71 HG23 -0.03 0.10 -0.01 -0.04 0.93 0.95 2g5nA1 ILE 71 HD13 -0.00 0.05 -0.18 -0.04 0.88 0.71 2g5nA1 SER 72 H -0.01 0.14 0.15 -0.55 8.46 8.18 2g5nA1 SER 72 HA -0.04 0.09 0.68 -0.75 4.49 4.46 2g5nA1 SER 72 HB2 -0.03 -0.05 0.10 -0.04 3.95 3.93 2g5nA1 SER 72 HB3 -0.04 0.16 0.06 -0.04 3.93 4.07 2g5nA1 ALA 73 H -0.05 0.59 0.36 -0.55 8.40 8.75 2g5nA1 ALA 73 HA -0.09 0.15 0.69 -0.75 4.34 4.34 2g5nA1 ALA 73 HB3 -0.04 -0.02 0.04 -0.04 1.41 1.35 2g5nA1 SER 74 H -0.13 0.67 0.28 -0.55 8.46 8.73 2g5nA1 SER 74 HA -0.05 0.13 0.81 -0.75 4.49 4.63 2g5nA1 SER 74 HB2 -0.07 -0.02 0.04 -0.04 3.95 3.86 2g5nA1 SER 74 HB3 -0.09 -0.05 -0.05 -0.04 3.93 3.70 2g5nA1 LYS 75 H -0.11 0.25 0.21 -0.55 8.42 8.22 2g5nA1 LYS 75 HA 0.02 0.12 0.63 -0.75 4.32 4.33 2g5nA1 LYS 75 HB2 -0.00 0.13 -0.14 -0.04 1.87 1.82 2g5nA1 LYS 75 HB3 -0.06 -0.05 -0.04 -0.04 1.79 1.60 2g5nA1 LYS 75 HG2 0.11 -0.02 -0.36 -0.04 1.46 1.16 2g5nA1 LYS 75 HG3 0.07 0.01 0.06 -0.04 1.46 1.56 2g5nA1 LYS 75 HD2 0.17 0.01 -0.11 -0.04 1.69 1.72 2g5nA1 LYS 75 HD3 0.14 -0.01 -0.11 -0.04 1.68 1.67 2g5nA1 LYS 75 HE2 0.06 -0.02 -0.00 -0.04 2.99 2.99 2g5nA1 LYS 75 HE3 0.04 0.01 -0.04 -0.04 2.99 2.96 2g5nA1 SER 76 H 0.09 0.26 0.19 -0.55 8.46 8.46 2g5nA1 SER 76 HA 0.14 0.28 1.04 -0.75 4.49 5.19 2g5nA1 SER 76 HB2 0.22 -0.02 0.08 -0.04 3.95 4.19 2g5nA1 SER 76 HB3 0.24 -0.01 -0.02 -0.04 3.93 4.10 2g5nA1 ILE 77 H 0.21 0.74 0.24 -0.55 8.25 8.90 2g5nA1 ILE 77 HA 0.15 0.19 0.97 -0.75 4.18 4.73 2g5nA1 ILE 77 HB 0.20 -0.09 0.13 -0.04 1.89 2.09 2g5nA1 ILE 77 HG12 0.14 0.08 -0.11 -0.04 1.49 1.57 2g5nA1 ILE 77 HG13 0.22 -0.11 -0.58 -0.04 1.21 0.70 2g5nA1 ILE 77 HG23 0.26 0.01 -0.15 -0.04 0.93 1.01 2g5nA1 ILE 77 HD13 0.15 0.00 -0.13 -0.04 0.88 0.86 2g5nA1 VAL 78 H 0.08 0.18 0.07 -0.55 8.24 8.02 2g5nA1 VAL 78 HA 0.09 0.03 0.73 -0.75 4.13 4.23 2g5nA1 VAL 78 HB -0.02 0.01 0.10 -0.04 2.12 2.17 2g5nA1 VAL 78 HG13 -0.02 0.05 -0.02 -0.04 0.97 0.94 2g5nA1 VAL 78 HG23 -0.07 -0.01 0.00 -0.04 0.95 0.83 2g5nA1 HIS 79 H 0.01 0.45 0.38 -0.55 8.41 8.71 2g5nA1 HIS 79 HA -0.48 0.07 0.38 -0.75 4.63 3.85 2g5nA1 HIS 79 HB2 -0.61 0.13 0.22 -0.04 3.26 2.96 2g5nA1 HIS 79 HB3 -0.24 0.01 0.20 -0.04 3.20 3.12 2g5nA1 HIS 79 HD2 -1.89 0.01 -0.02 -0.04 6.97 5.02 2g5nA1 HIS 79 HE1 -0.15 0.04 -0.01 -0.04 7.75 7.58 2g5nA1 PRO 80 HA -0.03 0.13 0.44 -0.51 4.44 4.47 2g5nA1 PRO 80 HB2 -0.07 0.03 0.02 -0.04 2.28 2.21 2g5nA1 PRO 80 HB3 -0.05 0.05 0.14 -0.04 2.02 2.12 2g5nA1 PRO 80 HG2 -0.61 -0.05 0.08 -0.04 2.03 1.42 2g5nA1 PRO 80 HG3 -0.31 0.05 0.08 -0.04 2.03 1.81 2g5nA1 PRO 80 HD2 -2.21 0.02 0.22 -0.04 3.68 1.67 2g5nA1 PRO 80 HD3 -0.19 0.19 0.18 -0.04 3.65 3.78 2g5nA1 SER 81 H 0.39 0.03 -0.31 -0.55 8.46 8.02 2g5nA1 SER 81 HA 0.05 0.25 0.76 -0.75 4.49 4.80 2g5nA1 SER 81 HB2 0.17 -0.05 -0.01 -0.04 3.95 4.02 2g5nA1 SER 81 HB3 0.05 -0.01 0.09 -0.04 3.93 4.02 2g5nA1 TYR 82 H 0.20 0.46 -0.33 -0.55 8.29 8.07 2g5nA1 TYR 82 HA -0.05 0.19 0.45 -0.75 4.56 4.40 2g5nA1 TYR 82 HB2 -0.02 0.02 0.18 -0.04 3.06 3.20 2g5nA1 TYR 82 HB3 -0.01 0.07 0.07 -0.04 2.98 3.07 2g5nA1 TYR 82 HD2 -0.02 0.11 -0.30 -0.04 7.15 6.89 2g5nA1 TYR 82 HE2 0.02 0.03 -0.20 -0.04 6.85 6.66 2g5nA1 ASN 83 H -0.29 0.51 0.16 -0.55 8.53 8.37 2g5nA1 ASN 83 HA -0.33 0.19 0.86 -0.75 4.76 4.72 2g5nA1 ASN 83 HB2 -0.14 0.19 0.03 -0.04 2.88 2.92 2g5nA1 ASN 83 HB3 -0.18 -0.16 0.24 -0.04 2.79 2.65 2g5nA1 ASN 83 HD21 -0.10 0.02 0.02 -0.04 7.03 6.93 2g5nA1 ASN 83 HD22 -0.09 0.09 0.01 -0.04 7.74 7.71 2g5nA1 SER 84 H -0.52 0.28 0.04 -0.55 8.46 7.71 2g5nA1 SER 84 HA -0.48 0.08 0.36 -0.75 4.49 3.70 2g5nA1 SER 84 HB2 -0.03 0.07 0.04 -0.04 3.95 3.99 2g5nA1 SER 84 HB3 -0.12 0.04 0.02 -0.04 3.93 3.83 2g5nA1 ASN 85 H -0.22 0.02 -0.25 -0.55 8.53 7.53 2g5nA1 ASN 85 HA -0.15 0.15 0.47 -0.75 4.76 4.47 2g5nA1 ASN 85 HB2 -0.14 -0.07 0.06 -0.04 2.88 2.70 2g5nA1 ASN 85 HB3 -0.12 0.07 -0.00 -0.04 2.79 2.70 2g5nA1 ASN 85 HD21 -0.08 0.03 0.01 -0.04 7.03 6.95 2g5nA1 ASN 85 HD22 -0.09 0.01 0.02 -0.04 7.74 7.63 2g5nA1 THR 86 H -0.21 0.00 -0.13 -0.55 8.28 7.40 2g5nA1 THR 86 HA -0.29 0.28 0.79 -0.75 4.39 4.42 2g5nA1 THR 86 HB -0.14 0.09 0.08 -0.04 4.32 4.31 2g5nA1 THR 86 HG23 -0.11 0.00 -0.05 -0.04 1.22 1.01 2g5nA1 LEU 87 H -0.24 0.35 -0.06 -0.55 8.37 7.87 2g5nA1 LEU 87 HA 0.02 0.03 0.21 -0.75 4.35 3.86 2g5nA1 LEU 87 HB2 -0.53 0.29 0.02 -0.04 1.64 1.37 2g5nA1 LEU 87 HB3 0.00 -0.14 0.14 -0.04 1.64 1.60 2g5nA1 LEU 87 HG -0.38 0.10 -0.34 -0.04 1.64 0.97 2g5nA1 LEU 87 HD13 -0.42 -0.01 -0.08 -0.04 0.93 0.38 2g5nA1 LEU 87 HD23 0.03 -0.02 -0.00 -0.04 0.89 0.85 2g5nA1 ASN 88 H -0.10 0.03 -0.25 -0.55 8.53 7.67 2g5nA1 ASN 88 HA 0.07 0.03 0.47 -0.75 4.76 4.57 2g5nA1 ASN 88 HB2 -0.02 0.07 0.02 -0.04 2.88 2.91 2g5nA1 ASN 88 HB3 -0.04 0.02 0.07 -0.04 2.79 2.80 2g5nA1 ASN 88 HD21 0.01 -0.04 -0.03 -0.04 7.03 6.93 2g5nA1 ASN 88 HD22 -0.01 0.06 -0.03 -0.04 7.74 7.71 2g5nA1 ASN 89 H 0.08 0.11 0.14 -0.55 8.53 8.32 2g5nA1 ASN 89 HA -0.09 0.03 0.26 -0.75 4.76 4.21 2g5nA1 ASN 89 HB2 -0.02 0.21 -0.10 -0.04 2.88 2.94 2g5nA1 ASN 89 HB3 -0.59 -0.07 0.04 -0.04 2.79 2.14 2g5nA1 ASN 89 HD21 -0.01 -0.03 -0.13 -0.04 7.03 6.82 2g5nA1 ASN 89 HD22 -0.01 0.39 -0.33 -0.04 7.74 7.75 2g5nA1 ASP 90 H 0.06 0.19 -0.07 -0.55 8.40 8.03 2g5nA1 ASP 90 HA -0.02 0.06 0.49 -0.75 4.63 4.41 2g5nA1 ASP 90 HB2 0.22 0.36 0.09 -0.04 2.71 3.34 2g5nA1 ASP 90 HB3 0.14 -0.03 0.24 -0.04 2.70 3.01 2g5nA1 ILE 91 H -0.22 0.60 0.26 -0.55 8.25 8.34 2g5nA1 ILE 91 HA -0.06 0.31 0.92 -0.75 4.18 4.60 2g5nA1 ILE 91 HB -0.34 -0.00 -0.29 -0.04 1.89 1.22 2g5nA1 ILE 91 HG12 0.24 0.01 -0.16 -0.04 1.49 1.53 2g5nA1 ILE 91 HG13 0.05 0.16 0.12 -0.04 1.21 1.50 2g5nA1 ILE 91 HG23 -0.76 -0.01 -0.14 -0.04 0.93 -0.03 2g5nA1 ILE 91 HD13 0.07 -0.02 -0.10 -0.04 0.88 0.79 2g5nA1 MET 92 H 0.08 0.70 0.25 -0.55 8.47 8.95 2g5nA1 MET 92 HA 0.27 0.23 0.84 -0.75 4.52 5.10 2g5nA1 MET 92 HB2 0.02 -0.07 -0.21 -0.04 2.15 1.85 2g5nA1 MET 92 HB3 0.06 -0.00 -0.49 -0.04 2.03 1.55 2g5nA1 MET 92 HG2 0.16 0.07 -0.44 -0.04 2.63 2.38 2g5nA1 MET 92 HG3 0.17 -0.03 -0.46 -0.04 2.56 2.20 2g5nA1 MET 92 HE3 0.08 0.04 -0.31 -0.04 2.10 1.86 2g5nA1 LEU 93 H 0.29 0.65 0.30 -0.55 8.37 9.07 2g5nA1 LEU 93 HA 0.21 0.30 1.11 -0.75 4.35 5.22 2g5nA1 LEU 93 HB2 0.10 0.01 0.11 -0.04 1.64 1.81 2g5nA1 LEU 93 HB3 0.30 0.02 -0.03 -0.04 1.64 1.89 2g5nA1 LEU 93 HG 0.03 -0.07 -0.22 -0.04 1.64 1.33 2g5nA1 LEU 93 HD13 -0.94 -0.01 -0.07 -0.04 0.93 -0.13 2g5nA1 LEU 93 HD23 -0.05 0.02 -0.04 -0.04 0.89 0.77 2g5nA1 ILE 94 H 0.29 0.67 0.36 -0.55 8.25 9.01 2g5nA1 ILE 94 HA 0.10 0.26 1.09 -0.75 4.18 4.88 2g5nA1 ILE 94 HB 0.06 -0.06 0.05 -0.04 1.89 1.90 2g5nA1 ILE 94 HG12 0.09 0.03 -0.15 -0.04 1.49 1.41 2g5nA1 ILE 94 HG13 0.12 -0.09 -0.58 -0.04 1.21 0.62 2g5nA1 ILE 94 HG23 -0.02 0.01 -0.18 -0.04 0.93 0.69 2g5nA1 ILE 94 HD13 0.04 -0.00 -0.23 -0.04 0.88 0.65 2g5nA1 LYS 95 H -0.22 0.64 0.33 -0.55 8.42 8.62 2g5nA1 LYS 95 HA -1.10 0.28 1.05 -0.75 4.32 3.81 2g5nA1 LYS 95 HB2 -1.80 -0.03 0.03 -0.04 1.87 0.03 2g5nA1 LYS 95 HB3 -0.54 -0.14 0.12 -0.04 1.79 1.19 2g5nA1 LYS 95 HG2 -0.62 0.18 -0.08 -0.04 1.46 0.89 2g5nA1 LYS 95 HG3 -1.71 0.01 0.08 -0.04 1.46 -0.20 2g5nA1 LYS 95 HD2 -0.35 0.06 -0.03 -0.04 1.69 1.34 2g5nA1 LYS 95 HD3 -0.28 -0.08 -0.07 -0.04 1.68 1.22 2g5nA1 LYS 95 HE2 -0.03 0.07 -0.03 -0.04 2.99 2.96 2g5nA1 LYS 95 HE3 -0.20 0.02 -0.03 -0.04 2.99 2.74 2g5nA1 LEU 96 H -0.45 0.64 0.28 -0.55 8.37 8.29 2g5nA1 LEU 96 HA -0.15 0.09 0.63 -0.75 4.35 4.16 2g5nA1 LEU 96 HB2 -0.15 0.02 0.05 -0.04 1.64 1.51 2g5nA1 LEU 96 HB3 -0.09 0.02 0.04 -0.04 1.64 1.57 2g5nA1 LEU 96 HG -0.13 0.02 -0.24 -0.04 1.64 1.25 2g5nA1 LEU 96 HD13 -0.03 0.03 -0.06 -0.04 0.93 0.83 2g5nA1 LEU 96 HD23 -0.06 -0.01 -0.21 -0.04 0.89 0.57 2g5nA1 LYS 97 H -0.09 0.66 0.26 -0.55 8.42 8.70 2g5nA1 LYS 97 HA -0.09 0.02 0.38 -0.75 4.32 3.88 2g5nA1 LYS 97 HB2 -0.05 0.12 0.15 -0.04 1.87 2.05 2g5nA1 LYS 97 HB3 -0.04 -0.04 -0.06 -0.04 1.79 1.61 2g5nA1 LYS 97 HG2 -0.05 -0.02 0.02 -0.04 1.46 1.38 2g5nA1 LYS 97 HG3 -0.06 0.01 -0.24 -0.04 1.46 1.14 2g5nA1 LYS 97 HD2 -0.03 0.01 -0.04 -0.04 1.69 1.58 2g5nA1 LYS 97 HD3 -0.03 -0.05 -0.10 -0.04 1.68 1.46 2g5nA1 LYS 97 HE2 -0.02 -0.03 -0.00 -0.04 2.99 2.90 2g5nA1 LYS 97 HE3 -0.03 -0.01 -0.01 -0.04 2.99 2.90 2g5nA1 SER 98 H -0.06 0.15 -0.17 -0.55 8.46 7.83 2g5nA1 SER 98 HA -0.05 0.14 0.71 -0.75 4.49 4.54 2g5nA1 SER 98 HB2 -0.02 0.03 0.03 -0.04 3.95 3.95 2g5nA1 SER 98 HB3 -0.03 0.02 -0.10 -0.04 3.93 3.78 2g5nA1 ALA 99 H -0.03 0.09 0.07 -0.55 8.40 7.98 2g5nA1 ALA 99 HA -0.04 0.16 0.43 -0.75 4.34 4.13 2g5nA1 ALA 99 HB3 -0.01 -0.01 0.04 -0.04 1.41 1.39 2g5nA1 ALA 100 H -0.01 0.66 0.36 -0.55 8.40 8.86 2g5nA1 ALA 100 HA 0.00 0.05 0.46 -0.75 4.34 4.11 2g5nA1 ALA 100 HB3 0.02 -0.01 0.01 -0.04 1.41 1.38 2g5nA1 SER 101 H 0.01 0.15 0.07 -0.55 8.46 8.14 2g5nA1 SER 101 HA 0.01 0.10 0.70 -0.75 4.49 4.54 2g5nA1 SER 101 HB2 -0.00 -0.02 0.15 -0.04 3.95 4.04 2g5nA1 SER 101 HB3 0.00 0.03 0.00 -0.04 3.93 3.93 2g5nA1 LEU 102 H 0.02 0.14 0.10 -0.55 8.37 8.08 2g5nA1 LEU 102 HA 0.03 0.25 0.55 -0.75 4.35 4.42 2g5nA1 LEU 102 HB2 0.02 -0.06 0.12 -0.04 1.64 1.68 2g5nA1 LEU 102 HB3 0.03 0.06 0.09 -0.04 1.64 1.78 2g5nA1 LEU 102 HG 0.03 0.05 0.03 -0.04 1.64 1.71 2g5nA1 LEU 102 HD13 0.04 -0.05 0.01 -0.04 0.93 0.88 2g5nA1 LEU 102 HD23 0.04 -0.02 -0.24 -0.04 0.89 0.63 2g5nA1 ASN 103 H 0.03 0.60 0.37 -0.55 8.53 8.98 2g5nA1 ASN 103 HA 0.02 0.13 0.53 -0.75 4.76 4.68 2g5nA1 ASN 103 HB2 0.01 -0.14 0.19 -0.04 2.88 2.90 2g5nA1 ASN 103 HB3 0.01 0.16 -0.09 -0.04 2.79 2.83 2g5nA1 ASN 103 HD21 0.01 0.06 -0.05 -0.04 7.03 7.01 2g5nA1 ASN 103 HD22 0.00 0.03 -0.14 -0.04 7.74 7.60 2g5nA1 SER 104 H 0.01 0.17 0.13 -0.55 8.46 8.23 2g5nA1 SER 104 HA 0.02 0.10 0.35 -0.75 4.49 4.20 2g5nA1 SER 104 HB2 0.01 0.06 0.06 -0.04 3.95 4.05 2g5nA1 SER 104 HB3 0.01 -0.01 0.12 -0.04 3.93 4.02 2g5nA1 ARG 105 H 0.02 -0.00 -0.29 -0.55 8.46 7.63 2g5nA1 ARG 105 HA 0.01 0.29 0.83 -0.75 4.34 4.72 2g5nA1 ARG 105 HB2 0.01 0.01 0.03 -0.04 1.90 1.92 2g5nA1 ARG 105 HB3 0.02 -0.00 0.10 -0.04 1.80 1.88 2g5nA1 ARG 105 HG2 0.01 0.01 -0.05 -0.04 1.67 1.61 2g5nA1 ARG 105 HG3 0.01 -0.01 -0.21 -0.04 1.67 1.43 2g5nA1 ARG 105 HD2 0.01 0.02 -0.02 -0.04 3.22 3.18 2g5nA1 ARG 105 HD3 0.01 0.00 -0.05 -0.04 3.22 3.14 2g5nA1 VAL 106 H 0.03 0.15 -0.30 -0.55 8.24 7.56 2g5nA1 VAL 106 HA 0.04 0.33 0.94 -0.75 4.13 4.69 2g5nA1 VAL 106 HB 0.03 -0.02 0.20 -0.04 2.12 2.29 2g5nA1 VAL 106 HG13 0.04 -0.02 -0.15 -0.04 0.97 0.80 2g5nA1 VAL 106 HG23 0.03 -0.04 -0.19 -0.04 0.95 0.71 2g5nA1 ALA 107 H 0.07 0.49 -0.07 -0.55 8.40 8.35 2g5nA1 ALA 107 HA 0.06 0.08 0.84 -0.75 4.34 4.57 2g5nA1 ALA 107 HB3 0.08 0.03 -0.12 -0.04 1.41 1.35 2g5nA1 SER 108 H 0.07 0.08 0.04 -0.55 8.46 8.10 2g5nA1 SER 108 HA 0.11 0.30 0.63 -0.75 4.49 4.78 2g5nA1 SER 108 HB2 0.06 0.16 -0.43 -0.04 3.95 3.69 2g5nA1 SER 108 HB3 0.07 -0.15 -0.37 -0.04 3.93 3.44 2g5nA1 ILE 109 H 0.03 0.62 0.35 -0.55 8.25 8.71 2g5nA1 ILE 109 HA -0.09 0.11 0.84 -0.75 4.18 4.28 2g5nA1 ILE 109 HB -0.66 -0.04 -0.03 -0.04 1.89 1.12 2g5nA1 ILE 109 HG12 -0.53 -0.10 -0.17 -0.04 1.49 0.65 2g5nA1 ILE 109 HG13 -0.21 0.18 -0.16 -0.04 1.21 0.97 2g5nA1 ILE 109 HG23 -0.12 0.05 -0.03 -0.04 0.93 0.80 2g5nA1 ILE 109 HD13 -0.37 -0.03 -0.11 -0.04 0.88 0.33 2g5nA1 SER 110 H -0.06 0.18 0.16 -0.55 8.46 8.19 2g5nA1 SER 110 HA -0.02 0.09 0.55 -0.75 4.49 4.36 2g5nA1 SER 110 HB2 -0.02 0.03 0.12 -0.04 3.95 4.04 2g5nA1 SER 110 HB3 -0.02 -0.02 0.13 -0.04 3.93 3.98 2g5nA1 LEU 111 H -0.01 0.10 0.21 -0.55 8.37 8.12 2g5nA1 LEU 111 HA 0.00 0.11 0.66 -0.75 4.35 4.36 2g5nA1 LEU 111 HB2 -0.00 -0.03 0.10 -0.04 1.64 1.67 2g5nA1 LEU 111 HB3 0.02 0.06 0.09 -0.04 1.64 1.77 2g5nA1 LEU 111 HG -0.00 0.03 0.07 -0.04 1.64 1.69 2g5nA1 LEU 111 HD13 -0.02 -0.02 0.00 -0.04 0.93 0.86 2g5nA1 LEU 111 HD23 0.03 0.00 -0.01 -0.04 0.89 0.87 2g5nA1 PRO 112 HA -0.01 0.09 0.53 -0.51 4.44 4.54 2g5nA1 PRO 112 HB2 -0.01 0.14 0.01 -0.04 2.28 2.38 2g5nA1 PRO 112 HB3 -0.01 0.02 -0.02 -0.04 2.02 1.97 2g5nA1 PRO 112 HG2 0.03 -0.03 -0.04 -0.04 2.03 1.95 2g5nA1 PRO 112 HG3 0.03 -0.02 -0.06 -0.04 2.03 1.94 2g5nA1 PRO 112 HD2 0.04 0.04 0.17 -0.04 3.68 3.89 2g5nA1 PRO 112 HD3 0.01 0.33 0.13 -0.04 3.65 4.09 2g5nA1 THR 113 H -0.01 0.14 0.21 -0.55 8.28 8.07 2g5nA1 THR 113 HA -0.00 0.17 0.78 -0.75 4.39 4.59 2g5nA1 THR 113 HB -0.01 -0.01 0.12 -0.04 4.32 4.38 2g5nA1 THR 113 HG23 -0.01 0.02 -0.03 -0.04 1.22 1.16 2g5nA1 SER 114 H -0.01 0.16 0.13 -0.55 8.46 8.18 2g5nA1 SER 114 HA -0.01 0.10 0.49 -0.75 4.49 4.31 2g5nA1 SER 114 HB2 -0.02 -0.01 0.10 -0.04 3.95 3.98 2g5nA1 SER 114 HB3 -0.01 0.12 -0.08 -0.04 3.93 3.91 2g5nA1 CYS 115 H -0.03 0.12 0.10 -0.55 8.50 8.14 2g5nA1 CYS 115 HA -0.05 0.05 0.52 -0.75 4.58 4.34 2g5nA1 CYS 115 HB2 -0.04 0.01 0.04 -0.04 2.97 2.93 2g5nA1 CYS 115 HB3 -0.07 0.06 0.11 -0.04 2.97 3.03 2g5nA1 ALA 116 H -0.14 0.09 0.16 -0.55 8.40 7.96 2g5nA1 ALA 116 HA -0.08 0.16 0.76 -0.75 4.34 4.42 2g5nA1 ALA 116 HB3 -0.17 0.02 0.03 -0.04 1.41 1.25 2g5nA1 SER 117 H -0.08 0.13 0.13 -0.55 8.46 8.09 2g5nA1 SER 117 HA -0.07 0.15 0.75 -0.75 4.49 4.57 2g5nA1 SER 117 HB2 -0.04 0.01 0.10 -0.04 3.95 3.98 2g5nA1 SER 117 HB3 -0.04 0.02 0.03 -0.04 3.93 3.90 2g5nA1 ALA 118 H -0.05 0.08 0.12 -0.55 8.40 8.01 2g5nA1 ALA 118 HA -0.05 0.09 0.25 -0.75 4.34 3.88 2g5nA1 ALA 118 HB3 -0.02 -0.01 -0.04 -0.04 1.41 1.29 2g5nA1 GLY 119 H -0.04 0.70 0.24 -0.55 8.43 8.78 2g5nA1 GLY 119 HA2 -0.03 0.01 0.36 -0.51 4.01 3.84 2g5nA1 GLY 119 HA3 -0.03 0.13 0.69 -0.51 4.01 4.29 2g5nA1 THR 120 H -0.06 0.38 -0.25 -0.55 8.28 7.80 2g5nA1 THR 120 HA -0.04 0.04 0.48 -0.75 4.39 4.12 2g5nA1 THR 120 HB -0.09 -0.02 0.08 -0.04 4.32 4.26 2g5nA1 THR 120 HG23 -0.05 0.03 -0.08 -0.04 1.22 1.08 2g5nA1 GLN 121 H -0.02 0.10 0.23 -0.55 8.47 8.23 2g5nA1 GLN 121 HA -0.02 0.10 0.54 -0.75 4.36 4.23 2g5nA1 GLN 121 HB2 0.00 0.02 0.12 -0.04 2.15 2.25 2g5nA1 GLN 121 HB3 0.00 -0.04 0.05 -0.04 2.02 1.99 2g5nA1 GLN 121 HG2 0.03 -0.01 -0.06 -0.04 2.40 2.33 2g5nA1 GLN 121 HG3 0.03 0.05 -0.06 -0.04 2.39 2.37 2g5nA1 GLN 121 HE21 0.08 0.03 -0.14 -0.04 6.97 6.89 2g5nA1 GLN 121 HE22 0.10 -0.01 -0.40 -0.04 7.69 7.34 2g5nA1 CYS 122 H -0.01 0.55 0.30 -0.55 8.50 8.79 2g5nA1 CYS 122 HA -0.01 0.20 1.05 -0.75 4.58 5.06 2g5nA1 CYS 122 HB2 -0.04 0.02 -0.12 -0.04 2.97 2.79 2g5nA1 CYS 122 HB3 -0.02 -0.04 -0.23 -0.04 2.97 2.64 2g5nA1 LEU 123 H 0.02 0.61 0.34 -0.55 8.37 8.79 2g5nA1 LEU 123 HA 0.03 0.27 1.03 -0.75 4.35 4.93 2g5nA1 LEU 123 HB2 0.06 -0.01 0.01 -0.04 1.64 1.65 2g5nA1 LEU 123 HB3 0.07 -0.06 0.18 -0.04 1.64 1.79 2g5nA1 LEU 123 HG 0.01 0.03 -0.31 -0.04 1.64 1.32 2g5nA1 LEU 123 HD13 0.04 0.02 -0.09 -0.04 0.93 0.87 2g5nA1 LEU 123 HD23 0.06 -0.01 -0.07 -0.04 0.89 0.83 2g5nA1 ILE 124 H -0.00 0.77 0.36 -0.55 8.25 8.83 2g5nA1 ILE 124 HA -0.01 0.36 0.98 -0.75 4.18 4.75 2g5nA1 ILE 124 HB -0.00 -0.01 0.02 -0.04 1.89 1.86 2g5nA1 ILE 124 HG12 -0.17 -0.01 -0.18 -0.04 1.49 1.09 2g5nA1 ILE 124 HG13 -0.06 -0.00 -0.25 -0.04 1.21 0.86 2g5nA1 ILE 124 HG23 0.05 0.01 -0.11 -0.04 0.93 0.84 2g5nA1 ILE 124 HD13 -0.14 -0.02 -0.22 -0.04 0.88 0.46 2g5nA1 SER 125 H -0.02 0.41 0.28 -0.55 8.46 8.59 2g5nA1 SER 125 HA -0.17 0.29 1.00 -0.75 4.49 4.86 2g5nA1 SER 125 HB2 -0.30 0.00 0.11 -0.04 3.95 3.72 2g5nA1 SER 125 HB3 -0.18 -0.04 -0.09 -0.04 3.93 3.58 2g5nA1 GLY 126 H -0.35 0.53 0.38 -0.55 8.43 8.44 2g5nA1 GLY 126 HA2 -0.30 0.04 0.42 -0.51 4.01 3.67 2g5nA1 GLY 126 HA3 -0.04 0.07 0.60 -0.51 4.01 4.13 2g5nA1 TRP 127 H 0.29 0.22 0.06 -0.55 7.97 8.00 2g5nA1 TRP 127 HA -0.05 0.21 0.76 -0.75 4.62 4.78 2g5nA1 TRP 127 HB2 -0.68 -0.00 0.04 -0.04 3.23 2.54 2g5nA1 TRP 127 HB3 -0.26 0.09 0.13 -0.04 3.23 3.15 2g5nA1 TRP 127 HD1 -0.09 0.08 -0.57 -0.04 7.22 6.60 2g5nA1 TRP 127 HE1 -0.06 0.41 -0.02 -0.04 10.20 10.48 2g5nA1 TRP 127 HE3 -0.11 0.04 -0.01 -0.04 7.59 7.47 2g5nA1 TRP 127 HZ2 -0.05 0.00 -0.38 -0.04 7.44 6.97 2g5nA1 TRP 127 HZ3 0.00 0.18 -0.34 -0.04 7.13 6.94 2g5nA1 TRP 127 HH2 -0.03 0.07 -0.23 -0.04 7.19 6.95 2g5nA1 GLY 128 H 0.14 -0.01 -0.49 -0.55 8.43 7.52 2g5nA1 GLY 128 HA2 0.40 0.04 0.48 -0.51 4.01 4.42 2g5nA1 GLY 128 HA3 0.19 -0.08 -0.01 -0.51 4.01 3.60 2g5nA1 ASN 129 H 0.06 0.48 0.14 -0.55 8.53 8.66 2g5nA1 ASN 129 HA -0.66 0.06 0.33 -0.75 4.76 3.74 2g5nA1 ASN 129 HB2 -0.38 -0.01 0.11 -0.04 2.88 2.56 2g5nA1 ASN 129 HB3 -0.10 -0.06 0.03 -0.04 2.79 2.62 2g5nA1 ASN 129 HD21 -0.08 0.37 0.14 -0.04 7.03 7.42 2g5nA1 ASN 129 HD22 -0.05 -0.08 0.03 -0.04 7.74 7.60 2g5nA1 THR 130 H -0.18 0.37 0.27 -0.55 8.28 8.19 2g5nA1 THR 130 HA -0.05 0.47 0.64 -0.75 4.39 4.70 2g5nA1 THR 130 HB -0.03 -0.13 0.19 -0.04 4.32 4.32 2g5nA1 THR 130 HG23 -0.03 0.07 -0.02 -0.04 1.22 1.21 2g5nA1 LYS 131 H -0.10 0.05 -0.16 -0.55 8.42 7.66 2g5nA1 LYS 131 HA -0.03 0.18 0.89 -0.75 4.32 4.61 2g5nA1 LYS 131 HB2 -0.06 -0.03 -0.39 -0.04 1.87 1.35 2g5nA1 LYS 131 HB3 -0.02 0.06 -0.39 -0.04 1.79 1.39 2g5nA1 LYS 131 HG2 -0.05 -0.05 -0.30 -0.04 1.46 1.01 2g5nA1 LYS 131 HG3 -0.03 0.01 -0.27 -0.04 1.46 1.13 2g5nA1 LYS 131 HD2 -0.02 -0.04 0.00 -0.04 1.69 1.59 2g5nA1 LYS 131 HD3 -0.02 0.10 -0.16 -0.04 1.68 1.56 2g5nA1 LYS 131 HE2 -0.01 0.02 -0.04 -0.04 2.99 2.93 2g5nA1 LYS 131 HE3 -0.01 0.00 -0.03 -0.04 2.99 2.91 2g5nA1 SER 132 H -0.01 0.13 0.07 -0.55 8.46 8.10 2g5nA1 SER 132 HA 0.00 0.15 0.46 -0.75 4.49 4.35 2g5nA1 SER 132 HB2 0.00 -0.01 0.01 -0.04 3.95 3.91 2g5nA1 SER 132 HB3 0.00 -0.07 0.08 -0.04 3.93 3.90 2g5nA1 SER 133 H -0.00 0.07 -0.08 -0.55 8.46 7.91 2g5nA1 SER 133 HA 0.01 0.16 0.83 -0.75 4.49 4.73 2g5nA1 SER 133 HB2 0.01 0.04 -0.05 -0.04 3.95 3.91 2g5nA1 SER 133 HB3 0.00 -0.03 0.13 -0.04 3.93 3.98 2g5nA1 GLY 134 H 0.01 0.19 0.04 -0.55 8.43 8.12 2g5nA1 GLY 134 HA2 0.01 0.02 0.28 -0.51 4.01 3.81 2g5nA1 GLY 134 HA3 0.00 0.19 0.84 -0.51 4.01 4.53 2g5nA1 THR 135 H 0.00 0.23 0.12 -0.55 8.28 8.09 2g5nA1 THR 135 HA -0.08 0.15 0.82 -0.75 4.39 4.52 2g5nA1 THR 135 HB 0.06 -0.02 0.01 -0.04 4.32 4.33 2g5nA1 THR 135 HG23 0.12 -0.01 -0.21 -0.04 1.22 1.09 2g5nA1 SER 136 H -0.26 0.17 0.03 -0.55 8.46 7.85 2g5nA1 SER 136 HA 0.01 0.10 0.55 -0.75 4.49 4.40 2g5nA1 SER 136 HB2 -0.02 0.10 -0.17 -0.04 3.95 3.82 2g5nA1 SER 136 HB3 -0.06 -0.08 -0.04 -0.04 3.93 3.72 2g5nA1 TYR 137 H 0.19 0.16 0.06 -0.55 8.29 8.15 2g5nA1 TYR 137 HA 0.07 0.30 0.78 -0.75 4.56 4.95 2g5nA1 TYR 137 HB2 0.05 -0.09 0.10 -0.04 3.06 3.09 2g5nA1 TYR 137 HB3 0.08 0.20 -0.03 -0.04 2.98 3.19 2g5nA1 TYR 137 HD2 0.09 0.15 -0.07 -0.04 7.15 7.28 2g5nA1 TYR 137 HE2 0.08 0.04 -0.06 -0.04 6.85 6.87 2g5nA1 PRO 138 HA 0.09 -0.03 0.50 -0.51 4.44 4.50 2g5nA1 PRO 138 HB2 0.09 0.03 0.03 -0.04 2.28 2.38 2g5nA1 PRO 138 HB3 0.04 -0.01 0.04 -0.04 2.02 2.05 2g5nA1 PRO 138 HG2 0.19 -0.02 -0.04 -0.04 2.03 2.12 2g5nA1 PRO 138 HG3 0.04 0.13 -0.01 -0.04 2.03 2.14 2g5nA1 PRO 138 HD2 0.20 0.23 -0.02 -0.04 3.68 4.04 2g5nA1 PRO 138 HD3 0.02 0.18 0.14 -0.04 3.65 3.95 2g5nA1 ASP 139 H 0.10 0.02 0.19 -0.55 8.40 8.17 2g5nA1 ASP 139 HA 0.09 0.20 0.79 -0.75 4.63 4.96 2g5nA1 ASP 139 HB2 0.07 -0.02 0.11 -0.04 2.71 2.83 2g5nA1 ASP 139 HB3 0.06 -0.15 0.07 -0.04 2.70 2.63 2g5nA1 VAL 140 H 0.13 -0.01 0.08 -0.55 8.24 7.89 2g5nA1 VAL 140 HA 0.29 0.27 0.58 -0.75 4.13 4.51 2g5nA1 VAL 140 HB 0.06 -0.04 -0.01 -0.04 2.12 2.08 2g5nA1 VAL 140 HG13 0.08 -0.02 -0.09 -0.04 0.97 0.89 2g5nA1 VAL 140 HG23 0.03 0.01 -0.08 -0.04 0.95 0.86 2g5nA1 LEU 141 H 0.04 0.01 0.07 -0.55 8.37 7.95 2g5nA1 LEU 141 HA -1.08 0.16 0.36 -0.75 4.35 3.03 2g5nA1 LEU 141 HB2 -0.53 0.09 0.09 -0.04 1.64 1.25 2g5nA1 LEU 141 HB3 -0.29 -0.15 0.10 -0.04 1.64 1.26 2g5nA1 LEU 141 HG -0.54 0.00 -0.15 -0.04 1.64 0.91 2g5nA1 LEU 141 HD13 -1.67 0.01 -0.09 -0.04 0.93 -0.86 2g5nA1 LEU 141 HD23 -0.37 0.00 -0.01 -0.04 0.89 0.47 2g5nA1 LYS 142 H -0.47 0.53 0.34 -0.55 8.42 8.27 2g5nA1 LYS 142 HA -0.25 0.08 0.95 -0.75 4.32 4.35 2g5nA1 LYS 142 HB2 -0.18 0.18 0.15 -0.04 1.87 1.98 2g5nA1 LYS 142 HB3 -0.16 -0.03 -0.01 -0.04 1.79 1.55 2g5nA1 LYS 142 HG2 -0.10 0.08 -0.08 -0.04 1.46 1.32 2g5nA1 LYS 142 HG3 -0.07 0.13 -0.04 -0.04 1.46 1.45 2g5nA1 LYS 142 HD2 -0.08 -0.02 -0.28 -0.04 1.69 1.27 2g5nA1 LYS 142 HD3 -0.10 -0.05 -0.26 -0.04 1.68 1.23 2g5nA1 LYS 142 HE2 -0.01 -0.05 -0.11 -0.04 2.99 2.78 2g5nA1 LYS 142 HE3 -0.02 0.07 -0.08 -0.04 2.99 2.93 2g5nA1 CYS 143 H -0.51 0.76 0.42 -0.55 8.50 8.63 2g5nA1 CYS 143 HA -0.30 0.29 1.08 -0.75 4.58 4.90 2g5nA1 CYS 143 HB2 -1.22 0.06 0.00 -0.04 2.97 1.77 2g5nA1 CYS 143 HB3 -0.60 -0.02 -0.05 -0.04 2.97 2.25 2g5nA1 LEU 144 H -0.12 0.45 0.28 -0.55 8.37 8.43 2g5nA1 LEU 144 HA 0.07 0.09 0.69 -0.75 4.35 4.44 2g5nA1 LEU 144 HB2 -0.01 0.07 -0.27 -0.04 1.64 1.39 2g5nA1 LEU 144 HB3 0.00 -0.03 -0.08 -0.04 1.64 1.50 2g5nA1 LEU 144 HG 0.13 -0.01 -0.60 -0.04 1.64 1.11 2g5nA1 LEU 144 HD13 0.10 -0.00 -0.08 -0.04 0.93 0.90 2g5nA1 LEU 144 HD23 0.11 -0.00 -0.34 -0.04 0.89 0.62 2g5nA1 LYS 145 H 0.19 0.20 0.14 -0.55 8.42 8.39 2g5nA1 LYS 145 HA 0.09 0.34 0.96 -0.75 4.32 4.95 2g5nA1 LYS 145 HB2 0.13 -0.01 0.16 -0.04 1.87 2.11 2g5nA1 LYS 145 HB3 0.10 -0.01 0.02 -0.04 1.79 1.86 2g5nA1 LYS 145 HG2 0.11 0.03 -0.05 -0.04 1.46 1.52 2g5nA1 LYS 145 HG3 0.23 -0.04 -0.05 -0.04 1.46 1.55 2g5nA1 LYS 145 HD2 0.05 0.01 -0.04 -0.04 1.69 1.67 2g5nA1 LYS 145 HD3 0.04 0.01 -0.01 -0.04 1.68 1.67 2g5nA1 LYS 145 HE2 0.05 -0.00 -0.04 -0.04 2.99 2.96 2g5nA1 LYS 145 HE3 0.05 -0.00 -0.07 -0.04 2.99 2.93 2g5nA1 ALA 146 H 0.04 0.59 0.32 -0.55 8.40 8.81 2g5nA1 ALA 146 HA 0.03 0.19 0.71 -0.75 4.34 4.52 2g5nA1 ALA 146 HB3 0.02 -0.01 -0.18 -0.04 1.41 1.20 2g5nA1 PRO 147 HA -0.06 0.31 0.69 -0.51 4.44 4.87 2g5nA1 PRO 147 HB2 -0.08 0.04 -0.06 -0.04 2.28 2.13 2g5nA1 PRO 147 HB3 -0.07 0.03 -0.04 -0.04 2.02 1.91 2g5nA1 PRO 147 HG2 -0.26 0.04 0.07 -0.04 2.03 1.84 2g5nA1 PRO 147 HG3 -0.23 0.02 0.07 -0.04 2.03 1.85 2g5nA1 PRO 147 HD2 -0.77 0.13 0.25 -0.04 3.68 3.24 2g5nA1 PRO 147 HD3 -0.26 0.14 0.13 -0.04 3.65 3.62 2g5nA1 ILE 148 H -0.05 0.51 0.19 -0.55 8.25 8.35 2g5nA1 ILE 148 HA 0.07 0.13 0.64 -0.75 4.18 4.27 2g5nA1 ILE 148 HB -0.09 -0.11 0.16 -0.04 1.89 1.81 2g5nA1 ILE 148 HG12 -0.11 0.00 -0.10 -0.04 1.49 1.24 2g5nA1 ILE 148 HG13 -0.09 0.13 -0.01 -0.04 1.21 1.20 2g5nA1 ILE 148 HG23 -0.08 0.04 -0.15 -0.04 0.93 0.70 2g5nA1 ILE 148 HD13 -0.35 0.00 -0.15 -0.04 0.88 0.35 2g5nA1 LEU 149 H 0.09 0.70 0.28 -0.55 8.37 8.89 2g5nA1 LEU 149 HA -0.01 0.11 0.74 -0.75 4.35 4.44 2g5nA1 LEU 149 HB2 0.05 0.01 -0.13 -0.04 1.64 1.53 2g5nA1 LEU 149 HB3 0.01 -0.08 0.00 -0.04 1.64 1.53 2g5nA1 LEU 149 HG -0.02 0.05 -0.23 -0.04 1.64 1.40 2g5nA1 LEU 149 HD13 0.00 -0.02 -0.35 -0.04 0.93 0.52 2g5nA1 LEU 149 HD23 -0.06 0.03 -0.10 -0.04 0.89 0.72 2g5nA1 SER 150 H 0.00 0.12 0.15 -0.55 8.46 8.19 2g5nA1 SER 150 HA 0.01 0.10 0.49 -0.75 4.49 4.33 2g5nA1 SER 150 HB2 0.01 -0.02 0.14 -0.04 3.95 4.04 2g5nA1 SER 150 HB3 0.00 0.13 0.16 -0.04 3.93 4.18 2g5nA1 ASP 151 H 0.02 0.19 0.22 -0.55 8.40 8.29 2g5nA1 ASP 151 HA 0.06 0.13 0.46 -0.75 4.63 4.53 2g5nA1 ASP 151 HB2 0.03 -0.02 0.13 -0.04 2.71 2.80 2g5nA1 ASP 151 HB3 0.04 0.07 0.06 -0.04 2.70 2.83 2g5nA1 SER 152 H 0.02 0.05 -0.19 -0.55 8.46 7.80 2g5nA1 SER 152 HA 0.02 0.14 0.41 -0.75 4.49 4.31 2g5nA1 SER 152 HB2 0.01 0.09 0.00 -0.04 3.95 4.01 2g5nA1 SER 152 HB3 0.01 0.03 0.07 -0.04 3.93 4.00 2g5nA1 SER 153 H 0.02 0.06 -0.24 -0.55 8.46 7.75 2g5nA1 SER 153 HA 0.00 0.12 0.39 -0.75 4.49 4.25 2g5nA1 SER 153 HB2 -0.00 0.06 0.03 -0.04 3.95 3.99 2g5nA1 SER 153 HB3 0.00 -0.05 0.07 -0.04 3.93 3.92 2g5nA1 CYS 154 H 0.04 0.28 -0.42 -0.55 8.50 7.86 2g5nA1 CYS 154 HA 0.06 0.08 0.34 -0.75 4.58 4.31 2g5nA1 CYS 154 HB2 0.06 0.03 0.03 -0.04 2.97 3.05 2g5nA1 CYS 154 HB3 0.07 0.13 0.11 -0.04 2.97 3.24 2g5nA1 LYS 155 H 0.06 0.57 -0.06 -0.55 8.42 8.43 2g5nA1 LYS 155 HA 0.12 0.07 0.35 -0.75 4.32 4.10 2g5nA1 LYS 155 HB2 0.04 0.04 0.10 -0.04 1.87 2.01 2g5nA1 LYS 155 HB3 0.06 -0.06 0.01 -0.04 1.79 1.76 2g5nA1 LYS 155 HG2 0.08 -0.02 0.01 -0.04 1.46 1.50 2g5nA1 LYS 155 HG3 0.07 0.05 0.04 -0.04 1.46 1.57 2g5nA1 LYS 155 HD2 0.04 -0.05 -0.09 -0.04 1.69 1.54 2g5nA1 LYS 155 HD3 0.05 -0.02 -0.02 -0.04 1.68 1.64 2g5nA1 LYS 155 HE2 0.06 0.14 -0.10 -0.04 2.99 3.04 2g5nA1 LYS 155 HE3 0.06 -0.01 -0.09 -0.04 2.99 2.90 2g5nA1 SER 156 H 0.02 0.35 -0.41 -0.55 8.46 7.87 2g5nA1 SER 156 HA 0.01 0.02 0.43 -0.75 4.49 4.19 2g5nA1 SER 156 HB2 -0.01 0.04 0.11 -0.04 3.95 4.05 2g5nA1 SER 156 HB3 -0.02 -0.02 -0.00 -0.04 3.93 3.85 2g5nA1 ALA 157 H -0.06 0.28 -0.33 -0.55 8.40 7.75 2g5nA1 ALA 157 HA -0.21 0.07 0.53 -0.75 4.34 3.97 2g5nA1 ALA 157 HB3 -0.39 0.02 0.12 -0.04 1.41 1.12 2g5nA1 TYR 158 H 0.05 0.22 -0.36 -0.55 8.29 7.66 2g5nA1 TYR 158 HA 0.09 0.23 0.82 -0.75 4.56 4.95 2g5nA1 TYR 158 HB2 0.12 -0.08 0.06 -0.04 3.06 3.12 2g5nA1 TYR 158 HB3 0.32 -0.03 0.01 -0.04 2.98 3.23 2g5nA1 TYR 158 HD2 0.07 0.05 -0.08 -0.04 7.15 7.15 2g5nA1 TYR 158 HE2 -0.05 -0.01 -0.14 -0.04 6.85 6.61 2g5nA1 PRO 159 HA 0.07 0.02 0.50 -0.51 4.44 4.52 2g5nA1 PRO 159 HB2 0.05 -0.02 0.08 -0.04 2.28 2.35 2g5nA1 PRO 159 HB3 0.04 -0.04 0.08 -0.04 2.02 2.05 2g5nA1 PRO 159 HG2 0.02 -0.02 0.05 -0.04 2.03 2.04 2g5nA1 PRO 159 HG3 0.02 0.10 0.09 -0.04 2.03 2.20 2g5nA1 PRO 159 HD2 0.06 0.05 0.02 -0.04 3.68 3.77 2g5nA1 PRO 159 HD3 -0.00 0.25 -0.78 -0.04 3.65 3.07 2g5nA1 GLY 160 H 0.07 0.11 0.22 -0.55 8.43 8.28 2g5nA1 GLY 160 HA2 0.05 -0.03 0.37 -0.51 4.01 3.89 2g5nA1 GLY 160 HA3 0.04 0.07 0.41 -0.51 4.01 4.03 2g5nA1 GLN 161 H 0.16 0.50 -0.45 -0.55 8.47 8.14 2g5nA1 GLN 161 HA 0.06 0.16 0.84 -0.75 4.36 4.67 2g5nA1 GLN 161 HB2 0.37 0.10 -0.05 -0.04 2.15 2.53 2g5nA1 GLN 161 HB3 0.19 -0.05 0.01 -0.04 2.02 2.13 2g5nA1 GLN 161 HG2 0.00 -0.03 -0.10 -0.04 2.40 2.23 2g5nA1 GLN 161 HG3 0.12 0.18 -0.21 -0.04 2.39 2.44 2g5nA1 GLN 161 HE21 -0.11 -0.02 -0.02 -0.04 6.97 6.78 2g5nA1 GLN 161 HE22 -0.15 -0.01 -0.02 -0.04 7.69 7.48 2g5nA1 ILE 162 H 0.16 0.11 0.00 -0.55 8.25 7.97 2g5nA1 ILE 162 HA 0.22 0.12 0.72 -0.75 4.18 4.48 2g5nA1 ILE 162 HB 0.11 -0.06 0.04 -0.04 1.89 1.95 2g5nA1 ILE 162 HG12 0.23 0.14 -0.07 -0.04 1.49 1.75 2g5nA1 ILE 162 HG13 0.13 -0.06 -0.38 -0.04 1.21 0.87 2g5nA1 ILE 162 HG23 0.09 -0.02 -0.20 -0.04 0.93 0.76 2g5nA1 ILE 162 HD13 0.00 0.02 -0.23 -0.04 0.88 0.63 2g5nA1 THR 163 H 0.13 0.12 0.13 -0.55 8.28 8.11 2g5nA1 THR 163 HA 0.06 0.27 0.86 -0.75 4.39 4.83 2g5nA1 THR 163 HB 0.04 -0.05 0.15 -0.04 4.32 4.43 2g5nA1 THR 163 HG23 0.05 0.07 -0.13 -0.04 1.22 1.17 2g5nA1 SER 164 H 0.04 0.19 0.16 -0.55 8.46 8.29 2g5nA1 SER 164 HA 0.05 0.15 0.46 -0.75 4.49 4.39 2g5nA1 SER 164 HB2 0.01 0.03 0.16 -0.04 3.95 4.10 2g5nA1 SER 164 HB3 0.02 0.03 0.15 -0.04 3.93 4.08 2g5nA1 ASN 165 H 0.07 -0.02 -0.49 -0.55 8.53 7.54 2g5nA1 ASN 165 HA 0.07 0.22 0.80 -0.75 4.76 5.10 2g5nA1 ASN 165 HB2 0.12 -0.06 0.09 -0.04 2.88 2.99 2g5nA1 ASN 165 HB3 0.26 -0.03 0.21 -0.04 2.79 3.19 2g5nA1 ASN 165 HD21 -0.02 0.07 -0.03 -0.04 7.03 7.02 2g5nA1 ASN 165 HD22 0.04 -0.04 0.00 -0.04 7.74 7.70 2g5nA1 MET 166 H 0.12 0.49 -0.27 -0.55 8.47 8.27 2g5nA1 MET 166 HA 0.10 0.29 1.03 -0.75 4.52 5.19 2g5nA1 MET 166 HB2 0.10 -0.00 0.04 -0.04 2.15 2.25 2g5nA1 MET 166 HB3 -0.01 0.03 0.03 -0.04 2.03 2.04 2g5nA1 MET 166 HG2 0.20 0.08 -0.12 -0.04 2.63 2.74 2g5nA1 MET 166 HG3 0.15 -0.25 -0.40 -0.04 2.56 2.02 2g5nA1 MET 166 HE3 0.16 0.05 -0.15 -0.04 2.10 2.11 2g5nA1 PHE 167 H -0.17 0.54 0.35 -0.55 8.34 8.51 2g5nA1 PHE 167 HA 0.02 0.10 0.61 -0.75 4.62 4.59 2g5nA1 PHE 167 HB2 0.02 0.01 0.10 -0.04 3.15 3.25 2g5nA1 PHE 167 HB3 0.04 0.04 -0.17 -0.04 3.06 2.92 2g5nA1 PHE 167 HD2 0.05 0.08 -0.32 -0.04 7.28 7.05 2g5nA1 PHE 167 HE2 -0.04 0.12 -0.22 -0.04 7.38 7.21 2g5nA1 PHE 167 HZ -0.10 -0.06 -0.30 -0.04 7.32 6.82 2g5nA1 CYS 168 H 0.21 0.15 0.14 -0.55 8.50 8.44 2g5nA1 CYS 168 HA -0.03 0.43 1.10 -0.75 4.58 5.32 2g5nA1 CYS 168 HB2 0.07 -0.11 -0.00 -0.04 2.97 2.88 2g5nA1 CYS 168 HB3 0.05 0.04 -0.08 -0.04 2.97 2.93 2g5nA1 ALA 169 H 0.20 0.58 0.23 -0.55 8.40 8.86 2g5nA1 ALA 169 HA 0.07 0.16 0.75 -0.75 4.34 4.56 2g5nA1 ALA 169 HB3 0.04 0.00 -0.25 -0.04 1.41 1.16 2g5nA1 GLY 170 H -0.14 0.60 0.18 -0.55 8.43 8.53 2g5nA1 GLY 170 HA2 -0.08 0.05 0.26 -0.51 4.01 3.73 2g5nA1 GLY 170 HA3 0.05 0.14 1.03 -0.51 4.01 4.71 2g5nA1 TYR 171 H 0.19 0.34 0.18 -0.55 8.29 8.44 2g5nA1 TYR 171 HA 0.02 0.14 0.94 -0.75 4.56 4.90 2g5nA1 TYR 171 HB2 0.02 0.04 0.10 -0.04 3.06 3.17 2g5nA1 TYR 171 HB3 0.02 -0.06 0.06 -0.04 2.98 2.96 2g5nA1 TYR 171 HD2 0.02 0.01 -0.02 -0.04 7.15 7.12 2g5nA1 TYR 171 HE2 0.02 0.04 0.00 -0.04 6.85 6.88 2g5nA1 LEU 172 H 0.06 0.20 0.12 -0.55 8.37 8.20 2g5nA1 LEU 172 HA 0.03 0.11 0.41 -0.75 4.35 4.15 2g5nA1 LEU 172 HB2 0.03 0.01 0.09 -0.04 1.64 1.73 2g5nA1 LEU 172 HB3 0.01 0.04 0.09 -0.04 1.64 1.75 2g5nA1 LEU 172 HG 0.00 -0.03 0.01 -0.04 1.64 1.58 2g5nA1 LEU 172 HD13 -0.00 0.00 0.00 -0.04 0.93 0.90 2g5nA1 LEU 172 HD23 -0.01 0.02 -0.11 -0.04 0.89 0.75 2g5nA1 GLU 173 H 0.10 0.04 -0.23 -0.55 8.60 7.97 2g5nA1 GLU 173 HA 0.03 0.07 0.48 -0.75 4.29 4.12 2g5nA1 GLU 173 HB2 0.02 0.03 0.09 -0.04 2.09 2.20 2g5nA1 GLU 173 HB3 0.05 -0.06 0.08 -0.04 1.99 2.01 2g5nA1 GLU 173 HG2 0.06 0.22 -0.12 -0.04 2.34 2.45 2g5nA1 GLU 173 HG3 0.01 0.04 -0.04 -0.04 2.34 2.30 2g5nA1 GLY 174 H 0.09 0.17 -0.48 -0.55 8.43 7.66 2g5nA1 GLY 174 HA2 0.06 0.06 -0.03 -0.51 4.01 3.58 2g5nA1 GLY 174 HA3 0.03 0.15 0.38 -0.51 4.01 4.06 2g5nA1 GLY 175 H 0.02 0.55 0.16 -0.55 8.43 8.62 2g5nA1 GLY 175 HA2 -0.00 -0.00 0.36 -0.51 4.01 3.86 2g5nA1 GLY 175 HA3 -0.02 0.17 0.70 -0.51 4.01 4.34 2g5nA1 LYS 176 H 0.04 0.11 -0.36 -0.55 8.42 7.67 2g5nA1 LYS 176 HA 0.02 0.51 0.89 -0.75 4.32 4.98 2g5nA1 LYS 176 HB2 -0.06 -0.14 0.04 -0.04 1.87 1.68 2g5nA1 LYS 176 HB3 0.06 0.02 -0.04 -0.04 1.79 1.78 2g5nA1 LYS 176 HG2 -0.07 0.24 0.03 -0.04 1.46 1.61 2g5nA1 LYS 176 HG3 -0.18 -0.09 -0.32 -0.04 1.46 0.83 2g5nA1 LYS 176 HD2 -0.74 -0.10 -0.02 -0.04 1.69 0.79 2g5nA1 LYS 176 HD3 -0.18 0.01 0.02 -0.04 1.68 1.49 2g5nA1 LYS 176 HE2 -0.08 0.28 0.10 -0.04 2.99 3.24 2g5nA1 LYS 176 HE3 -0.18 -0.07 0.01 -0.04 2.99 2.70 2g5nA1 ASP 177 H 0.06 0.69 0.23 -0.55 8.40 8.84 2g5nA1 ASP 177 HA 0.12 0.01 0.52 -0.75 4.63 4.52 2g5nA1 ASP 177 HB2 0.08 0.09 -0.34 -0.04 2.71 2.50 2g5nA1 ASP 177 HB3 0.05 -0.00 -0.11 -0.04 2.70 2.60 2g5nA1 SER 178 H 0.12 0.06 0.11 -0.55 8.46 8.20 2g5nA1 SER 178 HA 0.06 0.18 0.56 -0.75 4.49 4.53 2g5nA1 SER 178 HB2 0.12 -0.01 0.02 -0.04 3.95 4.04 2g5nA1 SER 178 HB3 0.18 0.01 -0.03 -0.04 3.93 4.04 2g5nA1 CYS 179 H 0.08 0.19 0.06 -0.55 8.50 8.28 2g5nA1 CYS 179 HA 0.05 0.13 0.43 -0.75 4.58 4.44 2g5nA1 CYS 179 HB2 0.03 0.07 -0.64 -0.04 2.97 2.38 2g5nA1 CYS 179 HB3 0.03 0.24 -0.19 -0.04 2.97 3.01 2g5nA1 GLN 180 H 0.09 0.20 0.08 -0.55 8.47 8.29 2g5nA1 GLN 180 HA 0.16 0.02 0.43 -0.75 4.36 4.22 2g5nA1 GLN 180 HB2 0.15 0.00 0.16 -0.04 2.15 2.42 2g5nA1 GLN 180 HB3 0.26 0.06 -0.03 -0.04 2.02 2.28 2g5nA1 GLN 180 HG2 0.13 0.03 0.03 -0.04 2.40 2.55 2g5nA1 GLN 180 HG3 0.14 0.04 0.06 -0.04 2.39 2.59 2g5nA1 GLN 180 HE21 0.08 0.04 -0.05 -0.04 6.97 7.00 2g5nA1 GLN 180 HE22 0.10 0.03 0.00 -0.04 7.69 7.79 2g5nA1 GLY 181 H 0.21 0.15 0.22 -0.55 8.43 8.46 2g5nA1 GLY 181 HA2 0.24 0.15 0.27 -0.51 4.01 4.17 2g5nA1 GLY 181 HA3 0.39 0.20 0.72 -0.51 4.01 4.82 2g5nA1 ASP 182 H 0.18 0.60 -0.13 -0.55 8.40 8.50 2g5nA1 ASP 182 HA 0.20 0.05 0.73 -0.75 4.63 4.85 2g5nA1 ASP 182 HB2 0.12 0.07 0.08 -0.04 2.71 2.93 2g5nA1 ASP 182 HB3 0.10 0.01 0.04 -0.04 2.70 2.82 2g5nA1 SER 183 H 0.16 -0.03 -0.02 -0.55 8.46 8.02 2g5nA1 SER 183 HA 0.12 0.07 0.35 -0.75 4.49 4.28 2g5nA1 SER 183 HB2 0.13 0.02 0.10 -0.04 3.95 4.16 2g5nA1 SER 183 HB3 0.06 0.07 0.03 -0.04 3.93 4.05 2g5nA1 GLY 184 H 0.06 0.70 0.35 -0.55 8.43 8.98 2g5nA1 GLY 184 HA2 0.00 -0.14 0.46 -0.51 4.01 3.81 2g5nA1 GLY 184 HA3 -0.02 0.24 0.78 -0.51 4.01 4.50 2g5nA1 GLY 185 H 0.09 0.40 -0.24 -0.55 8.43 8.14 2g5nA1 GLY 185 HA2 0.10 0.04 0.39 -0.51 4.01 4.02 2g5nA1 GLY 185 HA3 0.10 0.20 0.44 -0.51 4.01 4.24 2g5nA1 PRO 186 HA 0.09 0.22 0.66 -0.51 4.44 4.90 2g5nA1 PRO 186 HB2 0.21 -0.02 -0.06 -0.04 2.28 2.37 2g5nA1 PRO 186 HB3 0.19 0.04 0.04 -0.04 2.02 2.26 2g5nA1 PRO 186 HG2 0.13 -0.04 0.15 -0.04 2.03 2.23 2g5nA1 PRO 186 HG3 0.26 0.02 0.07 -0.04 2.03 2.34 2g5nA1 PRO 186 HD2 0.07 0.19 0.32 -0.04 3.68 4.21 2g5nA1 PRO 186 HD3 0.13 0.26 0.19 -0.04 3.65 4.19 2g5nA1 VAL 187 H 0.05 0.41 0.15 -0.55 8.24 8.31 2g5nA1 VAL 187 HA -0.03 0.24 0.66 -0.75 4.13 4.24 2g5nA1 VAL 187 HB 0.05 -0.17 0.11 -0.04 2.12 2.07 2g5nA1 VAL 187 HG13 -0.05 -0.00 -0.27 -0.04 0.97 0.61 2g5nA1 VAL 187 HG23 -0.35 0.02 -0.38 -0.04 0.95 0.19 2g5nA1 VAL 188 H 0.02 0.65 0.20 -0.55 8.24 8.56 2g5nA1 VAL 188 HA -0.04 0.27 1.09 -0.75 4.13 4.69 2g5nA1 VAL 188 HB 0.05 0.02 0.13 -0.04 2.12 2.28 2g5nA1 VAL 188 HG13 -0.08 -0.01 -0.30 -0.04 0.97 0.55 2g5nA1 VAL 188 HG23 -0.30 0.00 -0.19 -0.04 0.95 0.42 2g5nA1 CYS 189 H -0.04 0.70 0.33 -0.55 8.50 8.94 2g5nA1 CYS 189 HA -0.02 0.22 1.05 -0.75 4.58 5.08 2g5nA1 CYS 189 HB2 -0.06 -0.02 0.02 -0.04 2.97 2.87 2g5nA1 CYS 189 HB3 -0.05 0.13 -0.06 -0.04 2.97 2.94 2g5nA1 SER 190 H -0.02 0.25 0.17 -0.55 8.46 8.32 2g5nA1 SER 190 HA -0.01 0.05 0.35 -0.75 4.49 4.13 2g5nA1 SER 190 HB2 -0.03 0.14 -0.01 -0.04 3.95 4.01 2g5nA1 SER 190 HB3 -0.02 0.02 0.20 -0.04 3.93 4.09 2g5nA1 GLY 191 H -0.02 0.04 -0.29 -0.55 8.43 7.61 2g5nA1 GLY 191 HA2 -0.03 -0.00 0.21 -0.51 4.01 3.68 2g5nA1 GLY 191 HA3 -0.02 0.09 0.36 -0.51 4.01 3.93 2g5nA1 LYS 192 H -0.05 0.35 -0.40 -0.55 8.42 7.78 2g5nA1 LYS 192 HA -0.06 0.34 0.89 -0.75 4.32 4.74 2g5nA1 LYS 192 HB2 -0.04 -0.01 -0.04 -0.04 1.87 1.74 2g5nA1 LYS 192 HB3 -0.03 -0.02 -0.21 -0.04 1.79 1.49 2g5nA1 LYS 192 HG2 -0.03 0.19 -0.27 -0.04 1.46 1.30 2g5nA1 LYS 192 HG3 -0.03 -0.11 -0.07 -0.04 1.46 1.21 2g5nA1 LYS 192 HD2 -0.02 0.12 -0.35 -0.04 1.69 1.40 2g5nA1 LYS 192 HD3 -0.03 0.17 -0.26 -0.04 1.68 1.52 2g5nA1 LYS 192 HE2 -0.02 0.04 -0.06 -0.04 2.99 2.91 2g5nA1 LYS 192 HE3 -0.02 -0.12 -0.02 -0.04 2.99 2.79 2g5nA1 LEU 193 H -0.06 0.67 0.17 -0.55 8.37 8.60 2g5nA1 LEU 193 HA -0.06 0.04 0.62 -0.75 4.35 4.20 2g5nA1 LEU 193 HB2 -0.09 0.03 0.01 -0.04 1.64 1.55 2g5nA1 LEU 193 HB3 -0.01 -0.00 0.16 -0.04 1.64 1.76 2g5nA1 LEU 193 HG 0.05 -0.04 -0.19 -0.04 1.64 1.42 2g5nA1 LEU 193 HD13 0.01 0.02 -0.01 -0.04 0.93 0.91 2g5nA1 LEU 193 HD23 0.05 0.00 -0.07 -0.04 0.89 0.83 2g5nA1 GLN 194 H 0.01 0.43 0.45 -0.55 8.47 8.81 2g5nA1 GLN 194 HA 0.04 0.09 0.84 -0.75 4.36 4.57 2g5nA1 GLN 194 HB2 -0.04 0.06 0.05 -0.04 2.15 2.18 2g5nA1 GLN 194 HB3 -0.13 -0.10 0.07 -0.04 2.02 1.82 2g5nA1 GLN 194 HG2 -0.04 0.08 -0.18 -0.04 2.40 2.22 2g5nA1 GLN 194 HG3 -0.09 -0.01 -0.01 -0.04 2.39 2.24 2g5nA1 GLN 194 HE21 -0.04 0.39 0.05 -0.04 6.97 7.32 2g5nA1 GLN 194 HE22 -0.05 0.05 -0.07 -0.04 7.69 7.58 2g5nA1 GLY 195 H 0.12 0.42 0.25 -0.55 8.43 8.67 2g5nA1 GLY 195 HA2 0.31 0.44 0.95 -0.51 4.01 5.19 2g5nA1 GLY 195 HA3 0.30 -0.03 0.23 -0.51 4.01 3.99 2g5nA1 ILE 196 H 0.14 0.24 0.23 -0.55 8.25 8.32 2g5nA1 ILE 196 HA 0.12 0.43 0.79 -0.75 4.18 4.76 2g5nA1 ILE 196 HB 0.09 -0.12 0.10 -0.04 1.89 1.91 2g5nA1 ILE 196 HG12 0.09 0.13 -0.20 -0.04 1.49 1.47 2g5nA1 ILE 196 HG13 0.11 -0.13 -0.48 -0.04 1.21 0.67 2g5nA1 ILE 196 HG23 0.06 0.09 -0.26 -0.04 0.93 0.78 2g5nA1 ILE 196 HD13 0.05 0.02 -0.10 -0.04 0.88 0.81 2g5nA1 VAL 197 H 0.16 0.66 0.06 -0.55 8.24 8.57 2g5nA1 VAL 197 HA 0.24 0.03 0.41 -0.75 4.13 4.05 2g5nA1 VAL 197 HB 0.13 -0.13 0.11 -0.04 2.12 2.19 2g5nA1 VAL 197 HG13 0.09 -0.01 -0.30 -0.04 0.97 0.71 2g5nA1 VAL 197 HG23 0.23 0.06 -0.13 -0.04 0.95 1.07 2g5nA1 SER 198 H -0.23 0.37 0.44 -0.55 8.46 8.49 2g5nA1 SER 198 HA 0.29 0.09 1.08 -0.75 4.49 5.19 2g5nA1 SER 198 HB2 0.09 -0.07 0.08 -0.04 3.95 4.02 2g5nA1 SER 198 HB3 -0.03 0.08 0.11 -0.04 3.93 4.04 2g5nA1 TRP 199 H -0.34 0.48 0.32 -0.55 7.97 7.89 2g5nA1 TRP 199 HA -0.12 0.12 0.51 -0.75 4.62 4.37 2g5nA1 TRP 199 HB2 -0.17 -0.05 0.25 -0.04 3.23 3.21 2g5nA1 TRP 199 HB3 -0.18 0.11 -0.09 -0.04 3.23 3.03 2g5nA1 TRP 199 HD1 -0.11 -0.11 -0.18 -0.04 7.22 6.78 2g5nA1 TRP 199 HE1 -0.12 -0.03 -0.09 -0.04 10.20 9.91 2g5nA1 TRP 199 HE3 -0.26 0.04 0.06 -0.04 7.59 7.40 2g5nA1 TRP 199 HZ2 -0.17 0.06 -0.14 -0.04 7.44 7.14 2g5nA1 TRP 199 HZ3 -0.48 0.02 -0.11 -0.04 7.13 6.53 2g5nA1 TRP 199 HH2 -0.30 -0.01 -0.13 -0.04 7.19 6.70 2g5nA1 GLY 200 H 0.46 0.37 0.24 -0.55 8.43 8.95 2g5nA1 GLY 200 HA2 -0.60 0.09 0.27 -0.51 4.01 3.26 2g5nA1 GLY 200 HA3 -0.17 0.12 0.58 -0.51 4.01 4.03 2g5nA1 SER 201 H 0.17 0.32 0.01 -0.55 8.46 8.41 2g5nA1 SER 201 HA 0.18 0.10 0.94 -0.75 4.49 4.95 2g5nA1 SER 201 HB2 0.42 0.02 -0.05 -0.04 3.95 4.30 2g5nA1 SER 201 HB3 0.21 0.03 0.11 -0.04 3.93 4.25 2g5nA1 GLY 202 H 0.09 0.10 0.09 -0.55 8.43 8.15 2g5nA1 GLY 202 HA2 0.05 0.01 0.33 -0.51 4.01 3.90 2g5nA1 GLY 202 HA3 0.05 0.06 0.46 -0.51 4.01 4.07 2g5nA1 CYS 203 H 0.04 0.27 0.18 -0.55 8.50 8.43 2g5nA1 CYS 203 HA 0.04 0.16 0.72 -0.75 4.58 4.74 2g5nA1 CYS 203 HB2 0.02 0.07 0.02 -0.04 2.97 3.04 2g5nA1 CYS 203 HB3 0.02 0.06 -0.16 -0.04 2.97 2.85 2g5nA1 ALA 204 H 0.04 0.21 0.01 -0.55 8.40 8.12 2g5nA1 ALA 204 HA 0.05 0.07 0.12 -0.75 4.34 3.83 2g5nA1 ALA 204 HB3 0.02 -0.01 -0.22 -0.04 1.41 1.17 2g5nA1 GLN 205 H 0.04 0.15 -0.37 -0.55 8.47 7.74 2g5nA1 GLN 205 HA 0.02 0.09 0.63 -0.75 4.36 4.34 2g5nA1 GLN 205 HB2 0.03 0.12 -0.02 -0.04 2.15 2.25 2g5nA1 GLN 205 HB3 0.02 0.03 0.01 -0.04 2.02 2.04 2g5nA1 GLN 205 HG2 0.03 -0.10 -0.07 -0.04 2.40 2.21 2g5nA1 GLN 205 HG3 0.03 -0.01 -0.02 -0.04 2.39 2.36 2g5nA1 GLN 205 HE21 0.01 -0.03 0.00 -0.04 6.97 6.92 2g5nA1 GLN 205 HE22 0.02 0.01 0.04 -0.04 7.69 7.71 2g5nA1 LYS 206 H 0.01 0.09 0.11 -0.55 8.42 8.08 2g5nA1 LYS 206 HA 0.02 0.10 0.17 -0.75 4.32 3.85 2g5nA1 LYS 206 HB2 0.01 0.04 0.11 -0.04 1.87 1.99 2g5nA1 LYS 206 HB3 0.00 -0.05 0.09 -0.04 1.79 1.79 2g5nA1 LYS 206 HG2 0.00 -0.02 -0.12 -0.04 1.46 1.28 2g5nA1 LYS 206 HG3 0.01 0.08 0.12 -0.04 1.46 1.63 2g5nA1 LYS 206 HD2 0.01 0.03 0.05 -0.04 1.69 1.74 2g5nA1 LYS 206 HD3 0.00 -0.04 0.00 -0.04 1.68 1.60 2g5nA1 LYS 206 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 2g5nA1 LYS 206 HE3 0.01 -0.02 0.02 -0.04 2.99 2.96 2g5nA1 ASN 207 H 0.01 0.75 0.32 -0.55 8.53 9.06 2g5nA1 ASN 207 HA -0.03 -0.10 0.38 -0.75 4.76 4.26 2g5nA1 ASN 207 HB2 -0.03 0.17 -0.20 -0.04 2.88 2.78 2g5nA1 ASN 207 HB3 -0.06 -0.00 0.22 -0.04 2.79 2.91 2g5nA1 ASN 207 HD21 -0.01 -0.04 -0.05 -0.04 7.03 6.89 2g5nA1 ASN 207 HD22 -0.01 0.04 -0.13 -0.04 7.74 7.59 2g5nA1 LYS 208 H -0.01 0.32 -0.52 -0.55 8.42 7.66 2g5nA1 LYS 208 HA -0.18 0.17 0.75 -0.75 4.32 4.30 2g5nA1 LYS 208 HB2 0.02 -0.04 -0.03 -0.04 1.87 1.79 2g5nA1 LYS 208 HB3 0.08 -0.07 0.10 -0.04 1.79 1.86 2g5nA1 LYS 208 HG2 -0.04 0.15 -0.42 -0.04 1.46 1.11 2g5nA1 LYS 208 HG3 0.00 -0.10 -0.09 -0.04 1.46 1.24 2g5nA1 LYS 208 HD2 -0.22 -0.09 0.03 -0.04 1.69 1.36 2g5nA1 LYS 208 HD3 -0.32 0.29 0.23 -0.04 1.68 1.85 2g5nA1 LYS 208 HE2 -0.09 -0.02 -0.02 -0.04 2.99 2.82 2g5nA1 LYS 208 HE3 -0.05 -0.12 -0.00 -0.04 2.99 2.78 2g5nA1 PRO 209 HA 0.05 0.05 0.46 -0.51 4.44 4.49 2g5nA1 PRO 209 HB2 0.04 0.08 -0.11 -0.04 2.28 2.25 2g5nA1 PRO 209 HB3 0.03 -0.09 -0.20 -0.04 2.02 1.73 2g5nA1 PRO 209 HG2 0.11 0.06 -0.13 -0.04 2.03 2.03 2g5nA1 PRO 209 HG3 0.02 -0.04 -0.17 -0.04 2.03 1.81 2g5nA1 PRO 209 HD2 -0.12 0.23 -0.05 -0.04 3.68 3.70 2g5nA1 PRO 209 HD3 -0.03 0.01 -0.28 -0.04 3.65 3.31 2g5nA1 GLY 210 H 0.04 0.19 0.29 -0.55 8.43 8.40 2g5nA1 GLY 210 HA2 -0.27 0.15 0.63 -0.51 4.01 4.02 2g5nA1 GLY 210 HA3 -0.21 -0.06 0.41 -0.51 4.01 3.64 2g5nA1 VAL 211 H -0.81 0.83 0.41 -0.55 8.24 8.12 2g5nA1 VAL 211 HA -0.62 0.21 0.93 -0.75 4.13 3.90 2g5nA1 VAL 211 HB -2.07 -0.14 -0.06 -0.04 2.12 -0.20 2g5nA1 VAL 211 HG13 -0.74 0.00 -0.13 -0.04 0.97 0.06 2g5nA1 VAL 211 HG23 -1.79 0.03 -0.20 -0.04 0.95 -1.05 2g5nA1 TYR 212 H -0.51 0.71 0.38 -0.55 8.29 8.32 2g5nA1 TYR 212 HA -0.24 0.17 1.12 -0.75 4.56 4.86 2g5nA1 TYR 212 HB2 -1.64 0.01 -0.06 -0.04 3.06 1.33 2g5nA1 TYR 212 HB3 -0.43 -0.07 -0.06 -0.04 2.98 2.39 2g5nA1 TYR 212 HD2 -0.32 0.07 -0.40 -0.04 7.15 6.46 2g5nA1 TYR 212 HE2 -0.08 0.05 -0.13 -0.04 6.85 6.65 2g5nA1 THR 213 H 0.05 0.48 0.34 -0.55 8.28 8.59 2g5nA1 THR 213 HA 0.11 0.18 0.68 -0.75 4.39 4.62 2g5nA1 THR 213 HB 0.09 -0.08 0.13 -0.04 4.32 4.41 2g5nA1 THR 213 HG23 0.03 -0.02 -0.21 -0.04 1.22 0.97 2g5nA1 LYS 214 H 0.26 0.64 0.13 -0.55 8.42 8.90 2g5nA1 LYS 214 HA 0.48 0.21 0.60 -0.75 4.32 4.87 2g5nA1 LYS 214 HB2 0.33 0.03 -0.26 -0.04 1.87 1.93 2g5nA1 LYS 214 HB3 0.18 -0.05 0.14 -0.04 1.79 2.02 2g5nA1 LYS 214 HG2 0.09 -0.21 -0.07 -0.04 1.46 1.24 2g5nA1 LYS 214 HG3 0.14 0.04 -0.02 -0.04 1.46 1.58 2g5nA1 LYS 214 HD2 0.04 0.06 0.08 -0.04 1.69 1.83 2g5nA1 LYS 214 HD3 0.01 -0.07 0.01 -0.04 1.68 1.60 2g5nA1 LYS 214 HE2 0.13 -0.06 -0.08 -0.04 2.99 2.93 2g5nA1 LYS 214 HE3 0.17 0.00 -0.18 -0.04 2.99 2.95 2g5nA1 VAL 215 H 0.27 0.62 0.16 -0.55 8.24 8.75 2g5nA1 VAL 215 HA 0.38 -0.01 0.19 -0.75 4.13 3.94 2g5nA1 VAL 215 HB 0.14 0.10 -0.04 -0.04 2.12 2.28 2g5nA1 VAL 215 HG13 0.14 -0.01 -0.11 -0.04 0.97 0.94 2g5nA1 VAL 215 HG23 0.16 0.03 -0.28 -0.04 0.95 0.82 2g5nA1 CYS 216 H 0.10 0.17 -0.19 -0.55 8.50 8.03 2g5nA1 CYS 216 HA 0.05 0.12 0.32 -0.75 4.58 4.31 2g5nA1 CYS 216 HB2 -0.00 -0.02 -0.19 -0.04 2.97 2.72 2g5nA1 CYS 216 HB3 0.00 0.06 -0.05 -0.04 2.97 2.94 2g5nA1 ASN 217 H 0.01 0.46 -0.38 -0.55 8.53 8.07 2g5nA1 ASN 217 HA -0.12 0.10 0.54 -0.75 4.76 4.52 2g5nA1 ASN 217 HB2 -0.49 0.16 0.08 -0.04 2.88 2.60 2g5nA1 ASN 217 HB3 -0.47 -0.05 0.08 -0.04 2.79 2.30 2g5nA1 ASN 217 HD21 -0.03 0.21 0.04 -0.04 7.03 7.20 2g5nA1 ASN 217 HD22 -0.13 -0.14 -0.06 -0.04 7.74 7.37 2g5nA1 TYR 218 H 0.14 0.60 -0.29 -0.55 8.29 8.18 2g5nA1 TYR 218 HA 0.20 0.15 0.93 -0.75 4.56 5.09 2g5nA1 TYR 218 HB2 0.20 0.14 0.01 -0.04 3.06 3.38 2g5nA1 TYR 218 HB3 0.45 -0.08 0.08 -0.04 2.98 3.40 2g5nA1 TYR 218 HD2 0.01 0.02 -0.11 -0.04 7.15 7.03 2g5nA1 TYR 218 HE2 -0.42 0.01 -0.08 -0.04 6.85 6.32 2g5nA1 VAL 219 H 0.12 0.32 -0.15 -0.55 8.24 7.99 2g5nA1 VAL 219 HA 0.11 0.05 0.37 -0.75 4.13 3.91 2g5nA1 VAL 219 HB 0.05 0.02 0.07 -0.04 2.12 2.21 2g5nA1 VAL 219 HG13 0.02 0.01 -0.09 -0.04 0.97 0.87 2g5nA1 VAL 219 HG23 0.06 0.09 0.05 -0.04 0.95 1.11 2g5nA1 SER 220 H 0.09 0.17 -0.22 -0.55 8.46 7.96 2g5nA1 SER 220 HA 0.03 0.09 0.40 -0.75 4.49 4.26 2g5nA1 SER 220 HB2 0.10 0.00 0.04 -0.04 3.95 4.05 2g5nA1 SER 220 HB3 0.06 0.03 -0.02 -0.04 3.93 3.96 2g5nA1 TRP 221 H 0.34 0.12 -0.25 -0.55 7.97 7.63 2g5nA1 TRP 221 HA 0.01 0.05 0.39 -0.75 4.62 4.32 2g5nA1 TRP 221 HB2 0.13 -0.01 0.08 -0.04 3.23 3.40 2g5nA1 TRP 221 HB3 0.21 0.10 0.13 -0.04 3.23 3.63 2g5nA1 TRP 221 HD1 -0.06 0.00 0.02 -0.04 7.22 7.14 2g5nA1 TRP 221 HE1 -0.15 0.04 -0.02 -0.04 10.20 10.04 2g5nA1 TRP 221 HE3 0.18 0.06 -0.09 -0.04 7.59 7.71 2g5nA1 TRP 221 HZ2 -0.05 0.09 -0.24 -0.04 7.44 7.19 2g5nA1 TRP 221 HZ3 0.02 -0.02 -0.19 -0.04 7.13 6.90 2g5nA1 TRP 221 HH2 0.02 0.03 -0.17 -0.04 7.19 7.04 2g5nA1 ILE 222 H 0.21 0.65 -0.11 -0.55 8.25 8.45 2g5nA1 ILE 222 HA -0.74 0.01 0.36 -0.75 4.18 3.06 2g5nA1 ILE 222 HB -0.00 0.07 0.14 -0.04 1.89 2.06 2g5nA1 ILE 222 HG12 0.08 -0.04 -0.05 -0.04 1.49 1.43 2g5nA1 ILE 222 HG13 0.45 0.16 -0.00 -0.04 1.21 1.77 2g5nA1 ILE 222 HG23 -0.18 -0.01 -0.17 -0.04 0.93 0.53 2g5nA1 ILE 222 HD13 0.17 -0.02 -0.12 -0.04 0.88 0.87 2g5nA1 LYS 223 H -0.10 0.66 -0.03 -0.55 8.42 8.39 2g5nA1 LYS 223 HA -0.21 -0.00 0.38 -0.75 4.32 3.73 2g5nA1 LYS 223 HB2 -0.06 0.07 0.14 -0.04 1.87 1.98 2g5nA1 LYS 223 HB3 -0.09 -0.03 0.01 -0.04 1.79 1.64 2g5nA1 LYS 223 HG2 -0.08 -0.05 0.03 -0.04 1.46 1.33 2g5nA1 LYS 223 HG3 -0.05 0.10 0.11 -0.04 1.46 1.58 2g5nA1 LYS 223 HD2 -0.02 -0.01 -0.02 -0.04 1.69 1.60 2g5nA1 LYS 223 HD3 -0.02 -0.01 -0.06 -0.04 1.68 1.55 2g5nA1 LYS 223 HE2 -0.04 -0.00 -0.02 -0.04 2.99 2.89 2g5nA1 LYS 223 HE3 -0.04 -0.02 -0.00 -0.04 2.99 2.89 2g5nA1 GLN 224 H -0.15 0.56 -0.16 -0.55 8.47 8.18 2g5nA1 GLN 224 HA -0.12 0.03 0.44 -0.75 4.36 3.95 2g5nA1 GLN 224 HB2 -0.09 0.07 0.12 -0.04 2.15 2.21 2g5nA1 GLN 224 HB3 -0.07 -0.04 0.01 -0.04 2.02 1.88 2g5nA1 GLN 224 HG2 -0.04 -0.04 0.01 -0.04 2.40 2.29 2g5nA1 GLN 224 HG3 -0.04 0.04 0.08 -0.04 2.39 2.42 2g5nA1 GLN 224 HE21 0.02 -0.04 -0.04 -0.04 6.97 6.88 2g5nA1 GLN 224 HE22 0.00 -0.01 -0.01 -0.04 7.69 7.63 2g5nA1 THR 225 H -0.49 0.58 -0.19 -0.55 8.28 7.64 2g5nA1 THR 225 HA -0.31 0.03 0.37 -0.75 4.39 3.74 2g5nA1 THR 225 HB -1.01 0.07 0.13 -0.04 4.32 3.48 2g5nA1 THR 225 HG23 -0.46 -0.02 -0.15 -0.04 1.22 0.54 2g5nA1 ILE 226 H -0.63 0.64 -0.08 -0.55 8.25 7.63 2g5nA1 ILE 226 HA -1.31 0.02 0.38 -0.75 4.18 2.52 2g5nA1 ILE 226 HB -0.59 0.13 0.10 -0.04 1.89 1.49 2g5nA1 ILE 226 HG12 -0.89 -0.05 -0.07 -0.04 1.49 0.43 2g5nA1 ILE 226 HG13 -3.46 -0.04 -0.04 -0.04 1.21 -2.38 2g5nA1 ILE 226 HG23 -0.42 -0.01 -0.22 -0.04 0.93 0.24 2g5nA1 ILE 226 HD13 -1.08 0.06 -0.05 -0.04 0.88 -0.23 2g5nA1 ALA 227 H -0.26 0.44 -0.30 -0.55 8.40 7.73 2g5nA1 ALA 227 HA -0.07 0.02 0.44 -0.75 4.34 3.97 2g5nA1 ALA 227 HB3 -0.09 0.01 0.09 -0.04 1.41 1.38 2g5nA1 SER 228 H -0.14 0.32 -0.49 -0.55 8.46 7.60 2g5nA1 SER 228 HA -0.01 0.14 0.80 -0.75 4.49 4.66 2g5nA1 SER 228 HB2 -0.07 0.06 0.06 -0.04 3.95 3.96 2g5nA1 SER 228 HB3 -0.02 -0.08 0.14 -0.04 3.93 3.93 2g5nA1 ASN 229 H 0.03 0.28 -0.43 -0.55 8.53 7.86 2g5nA1 ASN 229 HA 0.11 0.17 0.64 -0.75 4.76 4.94 2g5nA1 ASN 229 HB2 0.20 0.12 -0.02 -0.04 2.88 3.14 2g5nA1 ASN 229 HB3 0.39 -0.08 -0.01 -0.04 2.79 3.05 2g5nA1 ASN 229 HD21 -0.01 -0.08 -0.13 -0.04 7.03 6.77 2g5nA1 ASN 229 HD22 -0.09 0.48 -0.08 -0.04 7.74 8.00