============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 3 0.900 -4.563 -24.515 -16.071 -99.200 -91.000 TYR 6 0.840 -4.593 -23.827 -21.612 -99.200 -91.000 PHE 7 1.000 -10.545 -24.696 -17.482 -99.200 -91.000 HIS 8 0.900 -14.303 -28.769 -21.497 -99.200 -91.000 TRP 14 1.040 -15.441 -22.805 -28.324 -99.200 -91.000 TRP6 14 1.020 -16.454 -22.760 -26.188 -99.200 -91.000 TYR 28 0.840 -2.543 -39.615 -52.395 -99.200 -91.000 PHE 31 1.000 4.150 -39.131 -57.062 -99.200 -91.000 TYR 51 0.840 -1.453 -46.931 -57.236 -99.200 -91.000 PHE 73 1.000 3.131 -33.752 -58.547 -99.200 -91.000 PHE 94 1.000 -13.047 -41.445 -59.112 -99.200 -91.000 TYR 121 0.840 -1.169 -31.426 -68.512 -99.200 -91.000 HIS 147 0.900 -6.725 -21.086 -76.949 -99.200 -91.000 TYR 157 0.840 4.315 -26.315 -57.505 -99.200 -91.000 PHE 161 1.000 11.199 -20.308 -49.635 -99.200 -91.000 PHE 165 1.000 13.850 -31.226 -45.308 -99.200 -91.000 TYR 166 0.840 12.020 -29.695 -53.011 -99.200 -91.000 PHE 169 1.000 8.094 -34.635 -56.878 -99.200 -91.000 TYR 175 0.840 16.217 -24.419 -61.967 -99.200 -91.000 TYR 206 0.840 11.999 -23.528 -46.660 -99.200 -91.000 HIS 216 0.900 0.456 -10.723 -51.243 -99.200 -91.000 TYR 224 0.840 3.731 -30.866 -52.748 -99.200 -91.000 PHE 230 1.000 4.727 -40.245 -46.502 -99.200 -91.000 TRP 233 1.040 6.776 -44.828 -42.716 -99.200 -91.000 TRP6 233 1.020 4.610 -45.322 -43.531 -99.200 -91.000 HIS 234 0.900 11.961 -43.137 -43.454 -99.200 -91.000 PHE 241 1.000 7.404 -38.480 -34.605 -99.200 -91.000 PHE 253 1.000 2.031 -28.164 -43.111 -99.200 -91.000 TYR 264 0.840 3.881 -36.806 -51.301 -99.200 -91.000 PHE 265 1.000 2.248 -38.783 -43.676 -99.200 -91.000 TRP 272 1.040 -5.030 -41.492 -38.940 -99.200 -91.000 TRP6 272 1.020 -3.154 -40.649 -40.107 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z0iA1 VAL 6 HA 0.05 -0.14 0.24 -0.75 4.13 3.52 2z0iA1 VAL 6 HB 0.04 0.05 0.09 -0.04 2.12 2.26 2z0iA1 VAL 6 HG13 0.04 -0.04 -0.13 -0.04 0.97 0.80 2z0iA1 VAL 6 HG23 0.01 0.01 0.03 -0.04 0.95 0.96 2z0iA1 LEU 7 H 0.10 0.03 0.15 -0.55 8.37 8.09 2z0iA1 LEU 7 HA 0.11 0.30 0.89 -0.75 4.35 4.89 2z0iA1 LEU 7 HB2 0.14 -0.04 0.04 -0.04 1.64 1.74 2z0iA1 LEU 7 HB3 0.16 0.05 0.06 -0.04 1.64 1.86 2z0iA1 LEU 7 HG 0.07 -0.01 -0.13 -0.04 1.64 1.53 2z0iA1 LEU 7 HD13 0.06 0.01 -0.02 -0.04 0.93 0.93 2z0iA1 LEU 7 HD23 0.06 0.05 -0.07 -0.04 0.89 0.89 2z0iA1 HIS 8 H 0.16 0.03 0.11 -0.55 8.41 8.16 2z0iA1 HIS 8 HA -0.33 0.10 0.40 -0.75 4.63 4.05 2z0iA1 HIS 8 HB2 -0.03 0.02 0.13 -0.04 3.26 3.33 2z0iA1 HIS 8 HB3 -0.05 0.01 0.04 -0.04 3.20 3.16 2z0iA1 HIS 8 HD2 -0.04 0.02 0.03 -0.04 6.97 6.93 2z0iA1 HIS 8 HE1 -0.07 0.04 -0.01 -0.04 7.75 7.66 2z0iA1 SER 9 H 0.15 0.09 -0.52 -0.55 8.46 7.63 2z0iA1 SER 9 HA 0.58 0.10 0.34 -0.75 4.49 4.75 2z0iA1 SER 9 HB2 0.23 0.03 0.05 -0.04 3.95 4.23 2z0iA1 SER 9 HB3 0.12 -0.06 -0.03 -0.04 3.93 3.92 2z0iA1 GLY 10 H 0.07 0.41 -0.77 -0.55 8.43 7.60 2z0iA1 GLY 10 HA2 0.10 0.10 0.55 -0.51 4.01 4.24 2z0iA1 GLY 10 HA3 0.20 0.07 0.27 -0.51 4.01 4.03 2z0iA1 TYR 11 H -0.31 0.22 -0.28 -0.55 8.29 7.36 2z0iA1 TYR 11 HA -0.31 0.22 0.61 -0.75 4.56 4.33 2z0iA1 TYR 11 HB2 -0.16 -0.07 0.02 -0.04 3.06 2.81 2z0iA1 TYR 11 HB3 -0.12 0.17 -0.11 -0.04 2.98 2.88 2z0iA1 TYR 11 HD2 -0.09 -0.04 -0.10 -0.04 7.15 6.88 2z0iA1 TYR 11 HE2 -0.08 0.03 -0.07 -0.04 6.85 6.68 2z0iA1 PHE 12 H -0.36 0.15 0.10 -0.55 8.34 7.68 2z0iA1 PHE 12 HA -0.13 -0.00 0.32 -0.75 4.62 4.05 2z0iA1 PHE 12 HB2 0.03 -0.05 0.15 -0.04 3.15 3.24 2z0iA1 PHE 12 HB3 -0.30 0.06 0.02 -0.04 3.06 2.79 2z0iA1 PHE 12 HD2 0.00 0.05 -0.18 -0.04 7.28 7.12 2z0iA1 PHE 12 HE2 0.04 -0.01 -0.05 -0.04 7.38 7.33 2z0iA1 PHE 12 HZ 0.03 -0.04 -0.05 -0.04 7.32 7.22 2z0iA1 HIS 13 H -0.16 0.07 -1.19 -0.55 8.41 6.59 2z0iA1 HIS 13 HA -0.01 0.18 0.71 -0.75 4.63 4.76 2z0iA1 HIS 13 HB2 -0.02 0.13 -0.12 -0.04 3.26 3.20 2z0iA1 HIS 13 HB3 -0.36 -0.00 0.05 -0.04 3.20 2.84 2z0iA1 HIS 13 HD2 0.06 0.05 0.04 -0.04 6.97 7.08 2z0iA1 HIS 13 HE1 -0.15 0.04 0.05 -0.04 7.75 7.64 2z0iA1 PRO 14 HA -0.11 0.11 0.39 -0.51 4.44 4.32 2z0iA1 PRO 14 HB2 -0.19 -0.04 0.14 -0.04 2.28 2.14 2z0iA1 PRO 14 HB3 -0.14 0.11 0.07 -0.04 2.02 2.03 2z0iA1 PRO 14 HG2 -0.26 0.07 0.09 -0.04 2.03 1.89 2z0iA1 PRO 14 HG3 -0.17 0.08 0.07 -0.04 2.03 1.97 2z0iA1 PRO 14 HD2 -1.27 0.10 0.21 -0.04 3.68 2.68 2z0iA1 PRO 14 HD3 -0.33 0.20 0.17 -0.04 3.65 3.65 2z0iA1 LEU 15 H 0.26 0.14 -0.07 -0.55 8.37 8.16 2z0iA1 LEU 15 HA -0.43 0.13 0.46 -0.75 4.35 3.76 2z0iA1 LEU 15 HB2 -0.18 0.02 0.09 -0.04 1.64 1.53 2z0iA1 LEU 15 HB3 -0.51 -0.02 0.06 -0.04 1.64 1.12 2z0iA1 LEU 15 HG -2.15 0.03 -0.19 -0.04 1.64 -0.71 2z0iA1 LEU 15 HD13 -0.44 0.01 0.03 -0.04 0.93 0.49 2z0iA1 LEU 15 HD23 -0.17 0.00 -0.02 -0.04 0.89 0.66 2z0iA1 LEU 16 H -0.20 0.03 -0.27 -0.55 8.37 7.38 2z0iA1 LEU 16 HA -0.32 0.06 0.40 -0.75 4.35 3.74 2z0iA1 LEU 16 HB2 -0.39 -0.13 0.08 -0.04 1.64 1.16 2z0iA1 LEU 16 HB3 -0.31 0.04 0.07 -0.04 1.64 1.39 2z0iA1 LEU 16 HG -0.08 0.30 0.01 -0.04 1.64 1.83 2z0iA1 LEU 16 HD13 0.16 -0.03 0.02 -0.04 0.93 1.03 2z0iA1 LEU 16 HD23 -0.67 0.04 -0.17 -0.04 0.89 0.06 2z0iA1 ARG 17 H -0.15 0.39 -0.40 -0.55 8.46 7.75 2z0iA1 ARG 17 HA -0.05 0.07 0.60 -0.75 4.34 4.21 2z0iA1 ARG 17 HB2 -0.09 0.12 0.14 -0.04 1.90 2.03 2z0iA1 ARG 17 HB3 -0.09 0.02 -0.05 -0.04 1.80 1.64 2z0iA1 ARG 17 HG2 -0.02 -0.01 -0.02 -0.04 1.67 1.58 2z0iA1 ARG 17 HG3 0.02 -0.11 -0.16 -0.04 1.67 1.38 2z0iA1 ARG 17 HD2 -0.07 0.08 -0.07 -0.04 3.22 3.12 2z0iA1 ARG 17 HD3 0.04 -0.06 -0.08 -0.04 3.22 3.08 2z0iA1 SER 18 H -0.23 0.50 0.06 -0.55 8.46 8.24 2z0iA1 SER 18 HA -0.08 0.08 0.29 -0.75 4.49 4.03 2z0iA1 SER 18 HB2 -0.10 -0.01 0.01 -0.04 3.95 3.82 2z0iA1 SER 18 HB3 -0.17 -0.00 0.11 -0.04 3.93 3.83 2z0iA1 TRP 19 H -0.16 0.35 -0.35 -0.55 7.97 7.27 2z0iA1 TRP 19 HA -0.02 0.03 0.46 -0.75 4.62 4.34 2z0iA1 TRP 19 HB2 -0.04 0.13 0.05 -0.04 3.23 3.33 2z0iA1 TRP 19 HB3 -0.03 -0.04 0.04 -0.04 3.23 3.16 2z0iA1 TRP 19 HD1 -0.02 0.02 -0.09 -0.04 7.22 7.09 2z0iA1 TRP 19 HE1 -0.02 -0.03 -0.03 -0.04 10.20 10.08 2z0iA1 TRP 19 HE3 -0.06 0.09 0.02 -0.04 7.59 7.60 2z0iA1 TRP 19 HZ2 -0.03 -0.03 -0.03 -0.04 7.44 7.31 2z0iA1 TRP 19 HZ3 -0.08 -0.02 -0.05 -0.04 7.13 6.94 2z0iA1 TRP 19 HH2 -0.06 -0.04 -0.04 -0.04 7.19 7.00 2z0iA1 GLN 20 H 0.09 0.17 -0.36 -0.55 8.47 7.82 2z0iA1 GLN 20 HA 0.06 0.03 0.55 -0.75 4.36 4.25 2z0iA1 GLN 20 HB2 0.04 0.26 0.28 -0.04 2.15 2.69 2z0iA1 GLN 20 HB3 -0.05 -0.02 0.18 -0.04 2.02 2.09 2z0iA1 GLN 20 HG2 -0.06 -0.11 -0.05 -0.04 2.40 2.13 2z0iA1 GLN 20 HG3 -0.05 -0.02 -0.03 -0.04 2.39 2.25 2z0iA1 GLN 20 HE21 0.09 -0.07 0.06 -0.04 6.97 7.00 2z0iA1 GLN 20 HE22 0.14 -0.10 -0.05 -0.04 7.69 7.63 2z0iA1 THR 21 H -0.02 0.99 0.09 -0.55 8.28 8.79 2z0iA1 THR 21 HA -0.04 0.09 0.55 -0.75 4.39 4.24 2z0iA1 THR 21 HB -0.09 -0.13 0.04 -0.04 4.32 4.11 2z0iA1 THR 21 HG23 -0.05 0.08 -0.17 -0.04 1.22 1.04 2z0iA1 ALA 22 H 0.04 0.13 -1.20 -0.55 8.40 6.83 2z0iA1 ALA 22 HA 0.04 0.02 0.34 -0.75 4.34 3.98 2z0iA1 ALA 22 HB3 0.08 -0.03 0.10 -0.04 1.41 1.51 2z0iA1 ALA 23 H 0.03 0.06 0.12 -0.55 8.40 8.06 2z0iA1 ALA 23 HA 0.02 -0.05 0.31 -0.75 4.34 3.86 2z0iA1 ALA 23 HB3 0.01 0.09 0.01 -0.04 1.41 1.48 2z0iA1 SER 24 H 0.01 0.03 -0.40 -0.55 8.46 7.56 2z0iA1 SER 24 HA 0.01 0.11 0.53 -0.75 4.49 4.39 2z0iA1 SER 24 HB2 -0.01 -0.07 0.15 -0.04 3.95 3.98 2z0iA1 SER 24 HB3 -0.01 0.10 -0.21 -0.04 3.93 3.77 2z0iA1 THR 25 H 0.02 0.09 -0.08 -0.55 8.28 7.75 2z0iA1 THR 25 HA 0.01 0.04 0.33 -0.75 4.39 4.02 2z0iA1 THR 25 HB 0.02 -0.08 0.05 -0.04 4.32 4.27 2z0iA1 THR 25 HG23 0.02 0.01 -0.20 -0.04 1.22 1.01 2z0iA1 VAL 26 H 0.02 0.03 -0.15 -0.55 8.24 7.59 2z0iA1 VAL 26 HA 0.03 -0.01 0.27 -0.75 4.13 3.67 2z0iA1 VAL 26 HB 0.02 0.26 0.40 -0.04 2.12 2.75 2z0iA1 VAL 26 HG13 0.05 -0.03 -0.11 -0.04 0.97 0.84 2z0iA1 VAL 26 HG23 0.02 0.07 -0.29 -0.04 0.95 0.71 2z0iA1 SER 27 H 0.02 0.11 0.09 -0.55 8.46 8.13 2z0iA1 SER 27 HA 0.02 0.31 0.86 -0.75 4.49 4.94 2z0iA1 SER 27 HB2 0.01 -0.04 0.13 -0.04 3.95 4.01 2z0iA1 SER 27 HB3 0.01 0.08 -0.12 -0.04 3.93 3.86 2z0iA1 ALA 28 H 0.01 0.22 0.13 -0.55 8.40 8.21 2z0iA1 ALA 28 HA 0.00 0.06 0.38 -0.75 4.34 4.03 2z0iA1 ALA 28 HB3 -0.01 0.06 0.04 -0.04 1.41 1.45 2z0iA1 SER 29 H -0.00 0.01 -0.16 -0.55 8.46 7.76 2z0iA1 SER 29 HA -0.02 0.13 0.41 -0.75 4.49 4.27 2z0iA1 SER 29 HB2 -0.01 0.08 0.03 -0.04 3.95 4.01 2z0iA1 SER 29 HB3 -0.01 0.00 0.08 -0.04 3.93 3.96 2z0iA1 ASN 30 H -0.00 0.12 -0.46 -0.55 8.53 7.65 2z0iA1 ASN 30 HA -0.02 0.21 0.59 -0.75 4.76 4.79 2z0iA1 ASN 30 HB2 0.01 0.03 0.02 -0.04 2.88 2.89 2z0iA1 ASN 30 HB3 -0.00 0.05 0.06 -0.04 2.79 2.85 2z0iA1 ASN 30 HD21 0.00 -0.11 -0.00 -0.04 7.03 6.88 2z0iA1 ASN 30 HD22 -0.00 0.35 0.10 -0.04 7.74 8.15 2z0iA1 LEU 31 H -0.01 0.35 -0.38 -0.55 8.37 7.77 2z0iA1 LEU 31 HA -0.04 0.28 0.87 -0.75 4.35 4.71 2z0iA1 LEU 31 HB2 -0.01 0.12 0.13 -0.04 1.64 1.84 2z0iA1 LEU 31 HB3 0.00 -0.13 0.01 -0.04 1.64 1.48 2z0iA1 LEU 31 HG 0.02 0.15 -0.04 -0.04 1.64 1.72 2z0iA1 LEU 31 HD13 0.04 -0.03 -0.10 -0.04 0.93 0.79 2z0iA1 LEU 31 HD23 0.04 -0.01 -0.16 -0.04 0.89 0.71 2z0iA1 ILE 32 H -0.07 0.36 0.33 -0.55 8.25 8.32 2z0iA1 ILE 32 HA -0.05 0.25 0.74 -0.75 4.18 4.37 2z0iA1 ILE 32 HB -0.15 -0.04 -0.00 -0.04 1.89 1.65 2z0iA1 ILE 32 HG12 -0.06 0.04 -0.20 -0.04 1.49 1.22 2z0iA1 ILE 32 HG13 -0.08 0.06 -0.58 -0.04 1.21 0.57 2z0iA1 ILE 32 HG23 -0.12 -0.04 -0.42 -0.04 0.93 0.32 2z0iA1 ILE 32 HD13 -0.09 -0.01 -0.26 -0.04 0.88 0.49 2z0iA1 TYR 33 H 0.06 0.50 0.22 -0.55 8.29 8.52 2z0iA1 TYR 33 HA -0.11 0.26 0.79 -0.75 4.56 4.75 2z0iA1 TYR 33 HB2 -0.06 -0.08 0.06 -0.04 3.06 2.94 2z0iA1 TYR 33 HB3 -0.08 0.02 0.16 -0.04 2.98 3.03 2z0iA1 TYR 33 HD2 -0.04 -0.00 0.03 -0.04 7.15 7.09 2z0iA1 TYR 33 HE2 -0.00 0.00 0.05 -0.04 6.85 6.86 2z0iA1 PRO 34 HA -0.21 0.19 0.66 -0.51 4.44 4.57 2z0iA1 PRO 34 HB2 0.12 -0.07 0.05 -0.04 2.28 2.34 2z0iA1 PRO 34 HB3 0.47 0.06 -0.00 -0.04 2.02 2.51 2z0iA1 PRO 34 HG2 -0.64 -0.05 -0.13 -0.04 2.03 1.17 2z0iA1 PRO 34 HG3 -0.29 0.08 -0.09 -0.04 2.03 1.69 2z0iA1 PRO 34 HD2 -0.24 -0.02 0.08 -0.04 3.68 3.46 2z0iA1 PRO 34 HD3 -0.22 0.46 0.39 -0.04 3.65 4.23 2z0iA1 ILE 35 H -0.28 0.52 0.26 -0.55 8.25 8.20 2z0iA1 ILE 35 HA -0.52 0.19 0.97 -0.75 4.18 4.07 2z0iA1 ILE 35 HB -0.08 -0.01 -0.01 -0.04 1.89 1.74 2z0iA1 ILE 35 HG12 -0.15 0.08 -0.19 -0.04 1.49 1.19 2z0iA1 ILE 35 HG13 -0.07 -0.16 -0.10 -0.04 1.21 0.85 2z0iA1 ILE 35 HG23 -0.15 0.04 -0.16 -0.04 0.93 0.61 2z0iA1 ILE 35 HD13 -0.02 0.00 -0.13 -0.04 0.88 0.69 2z0iA1 PHE 36 H 0.01 0.24 0.21 -0.55 8.34 8.25 2z0iA1 PHE 36 HA 0.18 0.34 1.12 -0.75 4.62 5.51 2z0iA1 PHE 36 HB2 0.08 -0.03 0.16 -0.04 3.15 3.32 2z0iA1 PHE 36 HB3 0.06 0.11 0.02 -0.04 3.06 3.21 2z0iA1 PHE 36 HD2 0.12 0.07 -0.07 -0.04 7.28 7.37 2z0iA1 PHE 36 HE2 -0.07 -0.05 -0.11 -0.04 7.38 7.12 2z0iA1 PHE 36 HZ 0.20 -0.09 -0.11 -0.04 7.32 7.28 2z0iA1 VAL 37 H 0.22 0.39 0.18 -0.55 8.24 8.48 2z0iA1 VAL 37 HA 0.15 0.41 0.99 -0.75 4.13 4.93 2z0iA1 VAL 37 HB 0.10 -0.12 -0.05 -0.04 2.12 2.01 2z0iA1 VAL 37 HG13 0.07 0.09 0.04 -0.04 0.97 1.13 2z0iA1 VAL 37 HG23 0.09 0.01 -0.12 -0.04 0.95 0.89 2z0iA1 THR 38 H 0.09 0.21 -0.04 -0.55 8.28 7.99 2z0iA1 THR 38 HA 0.05 0.35 0.84 -0.75 4.39 4.87 2z0iA1 THR 38 HB 0.01 -0.17 0.13 -0.04 4.32 4.25 2z0iA1 THR 38 HG23 0.02 0.04 -0.16 -0.04 1.22 1.09 2z0iA1 ASP 39 H 0.01 0.20 0.13 -0.55 8.40 8.20 2z0iA1 ASP 39 HA 0.02 0.10 0.56 -0.75 4.63 4.56 2z0iA1 ASP 39 HB2 0.00 0.02 0.09 -0.04 2.71 2.77 2z0iA1 ASP 39 HB3 0.00 0.03 0.02 -0.04 2.70 2.72 2z0iA1 VAL 40 H 0.01 0.06 -0.05 -0.55 8.24 7.71 2z0iA1 VAL 40 HA 0.00 0.17 0.57 -0.75 4.13 4.13 2z0iA1 VAL 40 HB -0.00 -0.00 -0.03 -0.04 2.12 2.04 2z0iA1 VAL 40 HG13 -0.00 -0.00 -0.15 -0.04 0.97 0.77 2z0iA1 VAL 40 HG23 -0.00 -0.00 -0.01 -0.04 0.95 0.89 2z0iA1 PRO 41 HA 0.03 -0.17 0.31 -0.51 4.44 4.10 2z0iA1 PRO 41 HB2 0.01 -0.07 0.17 -0.04 2.28 2.35 2z0iA1 PRO 41 HB3 0.02 0.00 0.07 -0.04 2.02 2.07 2z0iA1 PRO 41 HG2 0.01 0.06 0.10 -0.04 2.03 2.16 2z0iA1 PRO 41 HG3 0.01 0.06 0.10 -0.04 2.03 2.16 2z0iA1 PRO 41 HD2 0.01 0.07 0.18 -0.04 3.68 3.90 2z0iA1 PRO 41 HD3 0.01 0.42 0.40 -0.04 3.65 4.43 2z0iA1 ASP 42 H 0.01 0.12 -0.04 -0.55 8.40 7.94 2z0iA1 ASP 42 HA 0.02 0.19 0.40 -0.75 4.63 4.49 2z0iA1 ASP 42 HB2 0.00 -0.04 0.16 -0.04 2.71 2.80 2z0iA1 ASP 42 HB3 0.01 0.04 0.14 -0.04 2.70 2.84 2z0iA1 ASP 43 H 0.01 0.68 0.19 -0.55 8.40 8.74 2z0iA1 ASP 43 HA -0.03 0.11 0.80 -0.75 4.63 4.76 2z0iA1 ASP 43 HB2 -0.01 0.26 -0.07 -0.04 2.71 2.85 2z0iA1 ASP 43 HB3 -0.03 -0.04 -0.09 -0.04 2.70 2.50 2z0iA1 VAL 44 H -0.08 0.15 0.01 -0.55 8.24 7.77 2z0iA1 VAL 44 HA -0.34 0.55 0.95 -0.75 4.13 4.54 2z0iA1 VAL 44 HB -0.14 -0.06 0.16 -0.04 2.12 2.04 2z0iA1 VAL 44 HG13 -0.51 0.00 -0.08 -0.04 0.97 0.33 2z0iA1 VAL 44 HG23 -0.13 -0.01 -0.20 -0.04 0.95 0.56 2z0iA1 GLN 45 H -0.13 0.35 0.11 -0.55 8.47 8.25 2z0iA1 GLN 45 HA -0.08 0.18 0.84 -0.75 4.36 4.55 2z0iA1 GLN 45 HB2 -0.07 -0.02 0.19 -0.04 2.15 2.21 2z0iA1 GLN 45 HB3 -0.07 0.07 0.04 -0.04 2.02 2.03 2z0iA1 GLN 45 HG2 -0.05 0.03 -0.03 -0.04 2.40 2.31 2z0iA1 GLN 45 HG3 -0.06 -0.09 -0.06 -0.04 2.39 2.14 2z0iA1 GLN 45 HE21 -0.04 -0.00 -0.01 -0.04 6.97 6.88 2z0iA1 GLN 45 HE22 -0.04 -0.00 -0.01 -0.04 7.69 7.60 2z0iA1 PRO 46 HA -0.06 0.08 0.53 -0.51 4.44 4.48 2z0iA1 PRO 46 HB2 -0.04 -0.05 -0.01 -0.04 2.28 2.13 2z0iA1 PRO 46 HB3 -0.04 0.06 -0.02 -0.04 2.02 1.98 2z0iA1 PRO 46 HG2 -0.04 -0.00 0.06 -0.04 2.03 2.01 2z0iA1 PRO 46 HG3 -0.07 0.07 -0.03 -0.04 2.03 1.96 2z0iA1 PRO 46 HD2 -0.06 0.01 0.26 -0.04 3.68 3.86 2z0iA1 PRO 46 HD3 -0.09 0.66 0.46 -0.04 3.65 4.64 2z0iA1 ILE 47 H -0.07 0.75 0.36 -0.55 8.25 8.75 2z0iA1 ILE 47 HA -0.10 0.11 0.79 -0.75 4.18 4.23 2z0iA1 ILE 47 HB -0.14 0.23 0.16 -0.04 1.89 2.10 2z0iA1 ILE 47 HG12 -0.26 -0.03 -0.03 -0.04 1.49 1.13 2z0iA1 ILE 47 HG13 -0.17 0.05 -0.06 -0.04 1.21 0.99 2z0iA1 ILE 47 HG23 -0.17 -0.17 -0.12 -0.04 0.93 0.42 2z0iA1 ILE 47 HD13 -0.06 0.01 -0.14 -0.04 0.88 0.66 2z0iA1 ALA 48 H -0.07 0.24 0.09 -0.55 8.40 8.11 2z0iA1 ALA 48 HA -0.06 0.08 0.25 -0.75 4.34 3.85 2z0iA1 ALA 48 HB3 -0.03 0.01 0.05 -0.04 1.41 1.39 2z0iA1 SER 49 H -0.08 0.04 -0.30 -0.55 8.46 7.57 2z0iA1 SER 49 HA 0.00 0.07 0.40 -0.75 4.49 4.21 2z0iA1 SER 49 HB2 -0.10 0.07 0.02 -0.04 3.95 3.90 2z0iA1 SER 49 HB3 -0.02 -0.09 0.04 -0.04 3.93 3.81 2z0iA1 LEU 50 H -0.18 0.17 -0.40 -0.55 8.37 7.41 2z0iA1 LEU 50 HA -0.39 0.18 0.86 -0.75 4.35 4.25 2z0iA1 LEU 50 HB2 -0.30 0.05 0.16 -0.04 1.64 1.50 2z0iA1 LEU 50 HB3 -0.67 -0.01 0.04 -0.04 1.64 0.97 2z0iA1 LEU 50 HG -0.27 -0.09 -0.24 -0.04 1.64 1.00 2z0iA1 LEU 50 HD13 -0.48 0.00 -0.09 -0.04 0.93 0.32 2z0iA1 LEU 50 HD23 -0.53 0.01 -0.09 -0.04 0.89 0.24 2z0iA1 PRO 51 HA -0.34 0.01 0.37 -0.51 4.44 3.97 2z0iA1 PRO 51 HB2 -2.76 -0.02 0.15 -0.04 2.28 -0.40 2z0iA1 PRO 51 HB3 -0.98 -0.00 0.06 -0.04 2.02 1.05 2z0iA1 PRO 51 HG2 -1.16 -0.03 0.06 -0.04 2.03 0.86 2z0iA1 PRO 51 HG3 -0.40 0.11 0.03 -0.04 2.03 1.74 2z0iA1 PRO 51 HD2 -0.32 0.02 0.14 -0.04 3.68 3.48 2z0iA1 PRO 51 HD3 -0.25 0.42 -0.35 -0.04 3.65 3.42 2z0iA1 GLY 52 H -0.13 0.17 0.16 -0.55 8.43 8.08 2z0iA1 GLY 52 HA2 0.05 -0.05 0.35 -0.51 4.01 3.86 2z0iA1 GLY 52 HA3 0.06 0.17 0.84 -0.51 4.01 4.57 2z0iA1 VAL 53 H -0.17 0.35 -0.30 -0.55 8.24 7.57 2z0iA1 VAL 53 HA 0.13 0.08 0.57 -0.75 4.13 4.15 2z0iA1 VAL 53 HB -0.21 -0.03 0.13 -0.04 2.12 1.97 2z0iA1 VAL 53 HG13 0.15 0.01 -0.01 -0.04 0.97 1.08 2z0iA1 VAL 53 HG23 -0.33 0.00 -0.02 -0.04 0.95 0.56 2z0iA1 ALA 54 H 0.31 0.27 0.27 -0.55 8.40 8.70 2z0iA1 ALA 54 HA 0.03 0.06 0.78 -0.75 4.34 4.45 2z0iA1 ALA 54 HB3 -0.05 -0.00 -0.29 -0.04 1.41 1.02 2z0iA1 ARG 55 H -0.05 0.58 0.14 -0.55 8.46 8.57 2z0iA1 ARG 55 HA 0.26 0.29 0.88 -0.75 4.34 5.02 2z0iA1 ARG 55 HB2 -0.03 -0.22 0.16 -0.04 1.90 1.78 2z0iA1 ARG 55 HB3 0.06 -0.01 -0.08 -0.04 1.80 1.73 2z0iA1 ARG 55 HG2 0.02 0.10 -0.05 -0.04 1.67 1.70 2z0iA1 ARG 55 HG3 -0.04 0.03 0.03 -0.04 1.67 1.65 2z0iA1 ARG 55 HD2 -0.06 -0.11 -0.00 -0.04 3.22 3.01 2z0iA1 ARG 55 HD3 -0.04 -0.01 -0.07 -0.04 3.22 3.06 2z0iA1 TYR 56 H 0.35 0.64 0.37 -0.55 8.29 9.10 2z0iA1 TYR 56 HA 0.05 0.34 1.16 -0.75 4.56 5.35 2z0iA1 TYR 56 HB2 0.07 -0.04 0.05 -0.04 3.06 3.09 2z0iA1 TYR 56 HB3 0.05 -0.00 -0.14 -0.04 2.98 2.85 2z0iA1 TYR 56 HD2 0.07 0.08 -0.14 -0.04 7.15 7.12 2z0iA1 TYR 56 HE2 0.07 -0.05 -0.06 -0.04 6.85 6.76 2z0iA1 GLY 57 H 0.07 0.54 0.34 -0.55 8.43 8.84 2z0iA1 GLY 57 HA2 0.07 -0.06 0.52 -0.51 4.01 4.04 2z0iA1 GLY 57 HA3 0.05 0.37 0.52 -0.51 4.01 4.44 2z0iA1 VAL 58 H 0.05 0.24 0.11 -0.55 8.24 8.08 2z0iA1 VAL 58 HA 0.05 0.07 0.35 -0.75 4.13 3.85 2z0iA1 VAL 58 HB 0.02 -0.04 0.05 -0.04 2.12 2.11 2z0iA1 VAL 58 HG13 0.01 0.01 -0.13 -0.04 0.97 0.83 2z0iA1 VAL 58 HG23 0.02 0.04 0.08 -0.04 0.95 1.05 2z0iA1 ASN 59 H 0.04 0.01 -0.45 -0.55 8.53 7.58 2z0iA1 ASN 59 HA 0.03 0.13 0.58 -0.75 4.76 4.75 2z0iA1 ASN 59 HB2 0.02 -0.02 0.02 -0.04 2.88 2.85 2z0iA1 ASN 59 HB3 0.03 -0.09 -0.14 -0.04 2.79 2.54 2z0iA1 ASN 59 HD21 0.02 0.02 0.03 -0.04 7.03 7.05 2z0iA1 ASN 59 HD22 0.02 -0.06 -0.00 -0.04 7.74 7.66 2z0iA1 GLN 60 H 0.08 0.10 -0.47 -0.55 8.47 7.64 2z0iA1 GLN 60 HA 0.10 0.07 0.57 -0.75 4.36 4.35 2z0iA1 GLN 60 HB2 0.18 0.14 0.02 -0.04 2.15 2.44 2z0iA1 GLN 60 HB3 0.27 -0.04 0.10 -0.04 2.02 2.31 2z0iA1 GLN 60 HG2 0.06 0.01 -0.56 -0.04 2.40 1.87 2z0iA1 GLN 60 HG3 0.05 -0.01 0.01 -0.04 2.39 2.40 2z0iA1 GLN 60 HE21 0.04 -0.03 -0.04 -0.04 6.97 6.90 2z0iA1 GLN 60 HE22 0.01 -0.04 -0.19 -0.04 7.69 7.44 2z0iA1 LEU 61 H 0.09 0.12 0.06 -0.55 8.37 8.09 2z0iA1 LEU 61 HA 0.03 0.14 0.47 -0.75 4.35 4.24 2z0iA1 LEU 61 HB2 0.07 0.03 0.17 -0.04 1.64 1.87 2z0iA1 LEU 61 HB3 0.10 0.04 -0.05 -0.04 1.64 1.69 2z0iA1 LEU 61 HG 0.06 0.03 -0.05 -0.04 1.64 1.63 2z0iA1 LEU 61 HD13 0.11 -0.01 -0.26 -0.04 0.93 0.73 2z0iA1 LEU 61 HD23 0.06 0.00 -0.02 -0.04 0.89 0.89 2z0iA1 GLU 62 H 0.07 0.12 -0.04 -0.55 8.60 8.20 2z0iA1 GLU 62 HA 0.25 0.07 0.28 -0.75 4.29 4.14 2z0iA1 GLU 62 HB2 -0.01 0.03 0.10 -0.04 2.09 2.17 2z0iA1 GLU 62 HB3 -0.04 0.02 0.06 -0.04 1.99 2.00 2z0iA1 GLU 62 HG2 0.03 -0.07 -0.10 -0.04 2.34 2.15 2z0iA1 GLU 62 HG3 0.03 0.04 -0.34 -0.04 2.34 2.04 2z0iA1 GLU 63 H 0.08 0.20 -1.22 -0.55 8.60 7.11 2z0iA1 GLU 63 HA 0.06 0.16 0.71 -0.75 4.29 4.46 2z0iA1 GLU 63 HB2 0.10 0.24 0.04 -0.04 2.09 2.43 2z0iA1 GLU 63 HB3 0.07 -0.04 0.07 -0.04 1.99 2.05 2z0iA1 GLU 63 HG2 0.05 0.01 -0.13 -0.04 2.34 2.23 2z0iA1 GLU 63 HG3 0.06 -0.10 -0.30 -0.04 2.34 1.97 2z0iA1 LEU 65 HA -0.12 -0.06 0.25 -0.75 4.35 3.67 2z0iA1 LEU 65 HB2 0.11 0.04 -0.06 -0.04 1.64 1.69 2z0iA1 LEU 65 HB3 -0.23 -0.02 -0.13 -0.04 1.64 1.21 2z0iA1 LEU 65 HG -0.05 0.04 0.08 -0.04 1.64 1.67 2z0iA1 LEU 65 HD13 0.07 -0.02 -0.12 -0.04 0.93 0.82 2z0iA1 LEU 65 HD23 -0.03 -0.01 -0.04 -0.04 0.89 0.78 2z0iA1 ARG 66 H 0.11 0.28 -0.39 -0.55 8.46 7.91 2z0iA1 ARG 66 HA -0.04 0.01 0.35 -0.75 4.34 3.91 2z0iA1 ARG 66 HB2 0.32 0.06 0.07 -0.04 1.90 2.31 2z0iA1 ARG 66 HB3 0.10 0.12 -0.00 -0.04 1.80 1.98 2z0iA1 ARG 66 HG2 0.07 -0.03 -0.23 -0.04 1.67 1.43 2z0iA1 ARG 66 HG3 0.17 -0.05 0.01 -0.04 1.67 1.77 2z0iA1 ARG 66 HD2 0.08 0.04 0.00 -0.04 3.22 3.30 2z0iA1 ARG 66 HD3 0.07 -0.06 -0.02 -0.04 3.22 3.17 2z0iA1 PRO 67 HA -0.02 0.06 0.42 -0.51 4.44 4.38 2z0iA1 PRO 67 HB2 -0.04 0.00 -0.01 -0.04 2.28 2.20 2z0iA1 PRO 67 HB3 -0.01 0.00 0.09 -0.04 2.02 2.06 2z0iA1 PRO 67 HG2 -0.06 -0.01 -0.00 -0.04 2.03 1.91 2z0iA1 PRO 67 HG3 -0.01 0.14 0.13 -0.04 2.03 2.25 2z0iA1 PRO 67 HD2 -0.01 0.09 -0.27 -0.04 3.68 3.45 2z0iA1 PRO 67 HD3 0.02 0.19 0.04 -0.04 3.65 3.86 2z0iA1 LEU 68 H -0.11 0.30 -0.62 -0.55 8.37 7.39 2z0iA1 LEU 68 HA -0.12 0.13 0.65 -0.75 4.35 4.26 2z0iA1 LEU 68 HB2 -0.17 0.18 0.09 -0.04 1.64 1.70 2z0iA1 LEU 68 HB3 -0.18 -0.06 -0.03 -0.04 1.64 1.33 2z0iA1 LEU 68 HG -0.14 0.00 -0.08 -0.04 1.64 1.39 2z0iA1 LEU 68 HD13 -0.27 -0.00 -0.03 -0.04 0.93 0.59 2z0iA1 LEU 68 HD23 -0.19 -0.01 -0.08 -0.04 0.89 0.58 2z0iA1 VAL 69 H -0.22 0.74 0.12 -0.55 8.24 8.33 2z0iA1 VAL 69 HA -0.19 0.07 0.40 -0.75 4.13 3.66 2z0iA1 VAL 69 HB -0.28 0.04 0.12 -0.04 2.12 1.95 2z0iA1 VAL 69 HG13 -0.18 0.02 -0.11 -0.04 0.97 0.66 2z0iA1 VAL 69 HG23 -0.95 0.09 -0.11 -0.04 0.95 -0.06 2z0iA1 GLU 70 H -0.08 0.48 -0.21 -0.55 8.60 8.25 2z0iA1 GLU 70 HA -0.03 0.06 0.41 -0.75 4.29 3.98 2z0iA1 GLU 70 HB2 -0.03 0.06 -0.02 -0.04 2.09 2.07 2z0iA1 GLU 70 HB3 -0.01 -0.05 0.03 -0.04 1.99 1.92 2z0iA1 GLU 70 HG2 0.01 -0.05 0.00 -0.04 2.34 2.27 2z0iA1 GLU 70 HG3 -0.00 0.26 0.09 -0.04 2.34 2.65 2z0iA1 ALA 71 H -0.08 0.12 -0.70 -0.55 8.40 7.20 2z0iA1 ALA 71 HA -0.05 0.06 0.45 -0.75 4.34 4.05 2z0iA1 ALA 71 HB3 -0.09 0.05 0.10 -0.04 1.41 1.43 2z0iA1 GLY 72 H -0.07 0.28 -0.58 -0.55 8.43 7.52 2z0iA1 GLY 72 HA2 -0.04 0.01 0.18 -0.51 4.01 3.66 2z0iA1 GLY 72 HA3 -0.04 0.12 0.85 -0.51 4.01 4.44 2z0iA1 LEU 73 H -0.09 0.34 0.09 -0.55 8.37 8.16 2z0iA1 LEU 73 HA -0.07 -0.03 0.32 -0.75 4.35 3.82 2z0iA1 LEU 73 HB2 -0.12 0.01 -0.21 -0.04 1.64 1.28 2z0iA1 LEU 73 HB3 -0.15 -0.08 -0.18 -0.04 1.64 1.19 2z0iA1 LEU 73 HG -0.10 0.02 -0.42 -0.04 1.64 1.11 2z0iA1 LEU 73 HD13 -0.04 0.00 0.01 -0.04 0.93 0.86 2z0iA1 LEU 73 HD23 -0.11 -0.02 -0.17 -0.04 0.89 0.55 2z0iA1 ARG 74 H -0.04 0.10 0.22 -0.55 8.46 8.18 2z0iA1 ARG 74 HA -0.04 0.19 0.93 -0.75 4.34 4.67 2z0iA1 ARG 74 HB2 -0.03 0.14 0.19 -0.04 1.90 2.16 2z0iA1 ARG 74 HB3 -0.03 0.02 0.02 -0.04 1.80 1.78 2z0iA1 ARG 74 HG2 -0.03 0.17 -0.22 -0.04 1.67 1.55 2z0iA1 ARG 74 HG3 -0.02 -0.16 -0.01 -0.04 1.67 1.44 2z0iA1 ARG 74 HD2 -0.02 0.01 0.03 -0.04 3.22 3.20 2z0iA1 ARG 74 HD3 -0.02 0.05 0.01 -0.04 3.22 3.23 2z0iA1 CYS 75 H -0.04 0.19 0.27 -0.55 8.50 8.37 2z0iA1 CYS 75 HA -0.04 0.20 0.94 -0.75 4.58 4.93 2z0iA1 CYS 75 HB2 -0.03 0.05 -0.11 -0.04 2.97 2.84 2z0iA1 CYS 75 HB3 -0.04 0.09 0.05 -0.04 2.97 3.03 2z0iA1 VAL 76 H -0.04 0.54 0.28 -0.55 8.24 8.47 2z0iA1 VAL 76 HA -0.05 0.16 0.84 -0.75 4.13 4.32 2z0iA1 VAL 76 HB -0.06 0.02 -0.02 -0.04 2.12 2.02 2z0iA1 VAL 76 HG13 0.00 -0.02 -0.26 -0.04 0.97 0.65 2z0iA1 VAL 76 HG23 -0.03 -0.02 -0.05 -0.04 0.95 0.81 2z0iA1 LEU 77 H -0.16 0.36 -0.10 -0.55 8.37 7.92 2z0iA1 LEU 77 HA -0.18 0.29 0.86 -0.75 4.35 4.56 2z0iA1 LEU 77 HB2 -0.17 0.01 -0.19 -0.04 1.64 1.26 2z0iA1 LEU 77 HB3 -0.24 -0.09 0.01 -0.04 1.64 1.27 2z0iA1 LEU 77 HG -0.18 0.03 -0.28 -0.04 1.64 1.17 2z0iA1 LEU 77 HD13 0.09 -0.01 -0.19 -0.04 0.93 0.78 2z0iA1 LEU 77 HD23 -0.99 0.00 -0.32 -0.04 0.89 -0.46 2z0iA1 ILE 78 H -0.16 0.88 0.40 -0.55 8.25 8.81 2z0iA1 ILE 78 HA -0.11 0.08 0.60 -0.75 4.18 4.00 2z0iA1 ILE 78 HB -0.01 -0.02 0.20 -0.04 1.89 2.02 2z0iA1 ILE 78 HG12 0.02 -0.06 -0.05 -0.04 1.49 1.35 2z0iA1 ILE 78 HG13 -0.02 -0.02 -0.07 -0.04 1.21 1.06 2z0iA1 ILE 78 HG23 0.06 -0.04 -0.16 -0.04 0.93 0.76 2z0iA1 ILE 78 HD13 -0.03 -0.01 -0.06 -0.04 0.88 0.73 2z0iA1 PHE 79 H 0.14 0.51 0.33 -0.55 8.34 8.76 2z0iA1 PHE 79 HA 0.18 0.09 0.96 -0.75 4.62 5.10 2z0iA1 PHE 79 HB2 0.39 0.13 0.18 -0.04 3.15 3.81 2z0iA1 PHE 79 HB3 0.48 0.02 0.00 -0.04 3.06 3.52 2z0iA1 PHE 79 HD2 0.09 0.02 -0.05 -0.04 7.28 7.31 2z0iA1 PHE 79 HE2 0.19 -0.03 -0.09 -0.04 7.38 7.42 2z0iA1 PHE 79 HZ 0.33 -0.01 -0.13 -0.04 7.32 7.47 2z0iA1 GLY 80 H 0.25 0.14 0.13 -0.55 8.43 8.40 2z0iA1 GLY 80 HA2 0.16 0.11 0.58 -0.51 4.01 4.35 2z0iA1 GLY 80 HA3 0.15 -0.10 0.32 -0.51 4.01 3.87 2z0iA1 VAL 81 H 0.09 0.37 0.19 -0.55 8.24 8.34 2z0iA1 VAL 81 HA 0.02 0.23 0.86 -0.75 4.13 4.48 2z0iA1 VAL 81 HB 0.02 -0.09 0.11 -0.04 2.12 2.12 2z0iA1 VAL 81 HG13 -0.07 0.05 -0.12 -0.04 0.97 0.79 2z0iA1 VAL 81 HG23 -0.01 0.08 -0.17 -0.04 0.95 0.82 2z0iA1 PRO 82 HA 0.01 -0.01 0.51 -0.51 4.44 4.44 2z0iA1 PRO 82 HB2 0.00 -0.16 0.11 -0.04 2.28 2.20 2z0iA1 PRO 82 HB3 0.02 0.01 0.11 -0.04 2.02 2.12 2z0iA1 PRO 82 HG2 0.00 0.07 -0.02 -0.04 2.03 2.03 2z0iA1 PRO 82 HG3 0.02 0.07 0.03 -0.04 2.03 2.11 2z0iA1 PRO 82 HD2 0.02 0.29 0.09 -0.04 3.68 4.03 2z0iA1 PRO 82 HD3 0.04 0.03 -0.09 -0.04 3.65 3.59 2z0iA1 SER 83 H -0.00 0.05 0.09 -0.55 8.46 8.05 2z0iA1 SER 83 HA -0.02 0.19 0.52 -0.75 4.49 4.43 2z0iA1 SER 83 HB2 -0.02 0.01 0.18 -0.04 3.95 4.08 2z0iA1 SER 83 HB3 -0.02 0.19 -0.12 -0.04 3.93 3.94 2z0iA1 ARG 84 H -0.01 0.10 0.00 -0.55 8.46 8.00 2z0iA1 ARG 84 HA -0.01 0.17 0.34 -0.75 4.34 4.08 2z0iA1 ARG 84 HB2 -0.01 0.03 0.07 -0.04 1.90 1.96 2z0iA1 ARG 84 HB3 -0.01 0.17 -0.09 -0.04 1.80 1.83 2z0iA1 ARG 84 HG2 -0.00 -0.24 -0.10 -0.04 1.67 1.29 2z0iA1 ARG 84 HG3 -0.00 0.06 0.03 -0.04 1.67 1.72 2z0iA1 ARG 84 HD2 -0.00 0.03 -0.02 -0.04 3.22 3.18 2z0iA1 ARG 84 HD3 -0.00 0.02 -0.07 -0.04 3.22 3.12 2z0iA1 GLU 97 HA -0.01 -0.02 0.13 -0.75 4.29 3.64 2z0iA1 GLU 97 HB2 -0.01 -0.11 0.08 -0.04 2.09 2.01 2z0iA1 GLU 97 HB3 -0.01 0.00 0.05 -0.04 1.99 1.99 2z0iA1 GLU 97 HG2 -0.01 0.00 0.10 -0.04 2.34 2.40 2z0iA1 GLU 97 HG3 -0.01 -0.03 -0.34 -0.04 2.34 1.91 2z0iA1 ASP 98 H -0.02 0.12 0.04 -0.55 8.40 7.99 2z0iA1 ASP 98 HA -0.06 0.17 0.89 -0.75 4.63 4.87 2z0iA1 ASP 98 HB2 -0.03 -0.04 0.15 -0.04 2.71 2.76 2z0iA1 ASP 98 HB3 -0.04 0.01 -0.03 -0.04 2.70 2.59 2z0iA1 SER 99 H -0.07 0.22 0.12 -0.55 8.46 8.18 2z0iA1 SER 99 HA -0.01 0.17 0.49 -0.75 4.49 4.39 2z0iA1 SER 99 HB2 0.01 0.03 0.14 -0.04 3.95 4.09 2z0iA1 SER 99 HB3 -0.01 0.14 0.09 -0.04 3.93 4.11 2z0iA1 PRO 100 HA 0.01 0.08 0.40 -0.51 4.44 4.42 2z0iA1 PRO 100 HB2 0.05 0.05 -0.22 -0.04 2.28 2.12 2z0iA1 PRO 100 HB3 0.03 0.23 -0.12 -0.04 2.02 2.11 2z0iA1 PRO 100 HG2 0.06 -0.01 -0.04 -0.04 2.03 1.99 2z0iA1 PRO 100 HG3 0.04 0.04 -0.21 -0.04 2.03 1.86 2z0iA1 PRO 100 HD2 0.02 0.09 0.19 -0.04 3.68 3.93 2z0iA1 PRO 100 HD3 0.01 0.15 0.13 -0.04 3.65 3.91 2z0iA1 THR 101 H -0.01 0.05 -0.49 -0.55 8.28 7.29 2z0iA1 THR 101 HA 0.04 0.15 0.52 -0.75 4.39 4.34 2z0iA1 THR 101 HB 0.23 0.08 -0.03 -0.04 4.32 4.55 2z0iA1 THR 101 HG23 0.16 0.02 -0.02 -0.04 1.22 1.34 2z0iA1 ILE 102 H -0.17 0.11 -0.13 -0.55 8.25 7.51 2z0iA1 ILE 102 HA -0.27 0.15 0.46 -0.75 4.18 3.77 2z0iA1 ILE 102 HB -0.14 -0.03 0.09 -0.04 1.89 1.77 2z0iA1 ILE 102 HG12 -0.64 0.06 -0.07 -0.04 1.49 0.80 2z0iA1 ILE 102 HG13 -0.43 -0.17 0.04 -0.04 1.21 0.62 2z0iA1 ILE 102 HG23 -0.13 0.04 -0.03 -0.04 0.93 0.77 2z0iA1 ILE 102 HD13 -0.16 0.02 0.09 -0.04 0.88 0.78 2z0iA1 GLU 103 H -0.06 0.37 -0.26 -0.55 8.60 8.11 2z0iA1 GLU 103 HA -0.03 0.13 0.50 -0.75 4.29 4.14 2z0iA1 GLU 103 HB2 -0.01 0.00 0.02 -0.04 2.09 2.06 2z0iA1 GLU 103 HB3 -0.01 -0.03 -0.02 -0.04 1.99 1.89 2z0iA1 GLU 103 HG2 -0.03 -0.02 -0.06 -0.04 2.34 2.19 2z0iA1 GLU 103 HG3 -0.03 0.15 -0.24 -0.04 2.34 2.17 2z0iA1 ALA 104 H -0.01 0.30 -0.29 -0.55 8.40 7.85 2z0iA1 ALA 104 HA 0.02 0.02 0.45 -0.75 4.34 4.08 2z0iA1 ALA 104 HB3 0.03 0.03 0.10 -0.04 1.41 1.54 2z0iA1 VAL 105 H -0.01 0.46 -0.18 -0.55 8.24 7.96 2z0iA1 VAL 105 HA 0.02 0.01 0.24 -0.75 4.13 3.66 2z0iA1 VAL 105 HB 0.02 -0.01 0.02 -0.04 2.12 2.12 2z0iA1 VAL 105 HG13 -0.06 -0.00 -0.06 -0.04 0.97 0.81 2z0iA1 VAL 105 HG23 0.03 0.02 -0.32 -0.04 0.95 0.63 2z0iA1 ARG 106 H -0.02 0.18 -0.62 -0.55 8.46 7.45 2z0iA1 ARG 106 HA -0.01 0.24 0.51 -0.75 4.34 4.33 2z0iA1 ARG 106 HB2 -0.02 0.04 0.14 -0.04 1.90 2.01 2z0iA1 ARG 106 HB3 -0.02 -0.07 0.03 -0.04 1.80 1.69 2z0iA1 ARG 106 HG2 -0.02 0.27 0.13 -0.04 1.67 2.01 2z0iA1 ARG 106 HG3 -0.04 0.26 0.15 -0.04 1.67 2.00 2z0iA1 ARG 106 HD2 -0.03 -0.04 0.03 -0.04 3.22 3.14 2z0iA1 ARG 106 HD3 -0.03 -0.09 0.03 -0.04 3.22 3.08 2z0iA1 LEU 107 H -0.01 0.44 -0.03 -0.55 8.37 8.22 2z0iA1 LEU 107 HA -0.04 0.01 0.45 -0.75 4.35 4.01 2z0iA1 LEU 107 HB2 -0.01 0.00 0.15 -0.04 1.64 1.73 2z0iA1 LEU 107 HB3 0.01 0.08 0.22 -0.04 1.64 1.91 2z0iA1 LEU 107 HG -0.04 -0.01 -0.17 -0.04 1.64 1.37 2z0iA1 LEU 107 HD13 -0.06 -0.02 0.06 -0.04 0.93 0.87 2z0iA1 LEU 107 HD23 0.01 -0.07 0.08 -0.04 0.89 0.87 2z0iA1 LEU 108 H 0.02 0.73 -0.16 -0.55 8.37 8.42 2z0iA1 LEU 108 HA 0.12 -0.03 0.43 -0.75 4.35 4.11 2z0iA1 LEU 108 HB2 0.07 0.11 -0.02 -0.04 1.64 1.76 2z0iA1 LEU 108 HB3 0.18 0.00 -0.07 -0.04 1.64 1.70 2z0iA1 LEU 108 HG 0.07 0.23 -0.06 -0.04 1.64 1.84 2z0iA1 LEU 108 HD13 0.05 -0.02 -0.17 -0.04 0.93 0.75 2z0iA1 LEU 108 HD23 0.20 -0.03 -0.13 -0.04 0.89 0.89 2z0iA1 ARG 109 H 0.02 0.42 -0.27 -0.55 8.46 8.07 2z0iA1 ARG 109 HA 0.04 0.19 0.37 -0.75 4.34 4.19 2z0iA1 ARG 109 HB2 0.00 0.05 0.21 -0.04 1.90 2.12 2z0iA1 ARG 109 HB3 0.01 -0.05 0.05 -0.04 1.80 1.76 2z0iA1 ARG 109 HG2 0.03 -0.01 0.04 -0.04 1.67 1.69 2z0iA1 ARG 109 HG3 0.02 -0.02 0.04 -0.04 1.67 1.67 2z0iA1 ARG 109 HD2 0.04 0.04 0.01 -0.04 3.22 3.26 2z0iA1 ARG 109 HD3 0.02 -0.02 0.06 -0.04 3.22 3.25 2z0iA1 LYS 110 H -0.03 0.32 -0.34 -0.55 8.42 7.81 2z0iA1 LYS 110 HA -0.03 0.09 0.57 -0.75 4.32 4.19 2z0iA1 LYS 110 HB2 -0.03 0.05 0.08 -0.04 1.87 1.92 2z0iA1 LYS 110 HB3 -0.06 -0.01 0.14 -0.04 1.79 1.81 2z0iA1 LYS 110 HG2 -0.06 -0.01 -0.18 -0.04 1.46 1.16 2z0iA1 LYS 110 HG3 -0.04 -0.02 0.03 -0.04 1.46 1.39 2z0iA1 LYS 110 HD2 -0.03 0.00 -0.02 -0.04 1.69 1.60 2z0iA1 LYS 110 HD3 -0.04 -0.03 -0.03 -0.04 1.68 1.53 2z0iA1 LYS 110 HE2 -0.04 -0.01 -0.03 -0.04 2.99 2.86 2z0iA1 LYS 110 HE3 -0.03 -0.00 -0.01 -0.04 2.99 2.91 2z0iA1 THR 111 H -0.17 0.56 -0.05 -0.55 8.28 8.07 2z0iA1 THR 111 HA -0.26 0.02 0.55 -0.75 4.39 3.94 2z0iA1 THR 111 HB -0.76 0.04 0.13 -0.04 4.32 3.69 2z0iA1 THR 111 HG23 -0.98 -0.04 -0.06 -0.04 1.22 0.10 2z0iA1 PHE 112 H -0.12 0.58 -0.16 -0.55 8.34 8.09 2z0iA1 PHE 112 HA -0.01 0.12 0.90 -0.75 4.62 4.88 2z0iA1 PHE 112 HB2 -0.01 0.15 0.19 -0.04 3.15 3.44 2z0iA1 PHE 112 HB3 -0.01 -0.12 0.08 -0.04 3.06 2.97 2z0iA1 PHE 112 HD2 -0.01 0.03 -0.04 -0.04 7.28 7.22 2z0iA1 PHE 112 HE2 -0.01 -0.03 -0.12 -0.04 7.38 7.18 2z0iA1 PHE 112 HZ -0.01 -0.05 -0.10 -0.04 7.32 7.12 2z0iA1 PRO 113 HA 0.04 0.24 0.49 -0.51 4.44 4.70 2z0iA1 PRO 113 HB2 0.02 -0.04 0.02 -0.04 2.28 2.24 2z0iA1 PRO 113 HB3 0.01 0.10 0.09 -0.04 2.02 2.18 2z0iA1 PRO 113 HG2 0.04 -0.06 0.03 -0.04 2.03 2.00 2z0iA1 PRO 113 HG3 0.02 -0.01 0.03 -0.04 2.03 2.02 2z0iA1 PRO 113 HD2 0.07 0.08 0.13 -0.04 3.68 3.92 2z0iA1 PRO 113 HD3 -0.01 0.27 -0.35 -0.04 3.65 3.52 2z0iA1 SER 114 H 0.09 -0.01 -0.26 -0.55 8.46 7.74 2z0iA1 SER 114 HA 0.03 0.11 0.59 -0.75 4.49 4.46 2z0iA1 SER 114 HB2 0.04 -0.07 0.04 -0.04 3.95 3.91 2z0iA1 SER 114 HB3 0.05 -0.03 0.01 -0.04 3.93 3.92 2z0iA1 LEU 115 H 0.10 -0.04 -0.27 -0.55 8.37 7.61 2z0iA1 LEU 115 HA -0.01 0.13 0.35 -0.75 4.35 4.06 2z0iA1 LEU 115 HB2 -0.02 -0.10 0.00 -0.04 1.64 1.48 2z0iA1 LEU 115 HB3 0.12 0.24 -0.01 -0.04 1.64 1.95 2z0iA1 LEU 115 HG 0.00 -0.01 -0.43 -0.04 1.64 1.16 2z0iA1 LEU 115 HD13 -0.08 0.05 -0.30 -0.04 0.93 0.56 2z0iA1 LEU 115 HD23 -0.05 -0.03 -0.16 -0.04 0.89 0.61 2z0iA1 LEU 116 H -0.02 0.44 0.26 -0.55 8.37 8.52 2z0iA1 LEU 116 HA 0.00 0.17 0.84 -0.75 4.35 4.62 2z0iA1 LEU 116 HB2 -0.01 0.09 0.09 -0.04 1.64 1.76 2z0iA1 LEU 116 HB3 -0.02 -0.08 0.26 -0.04 1.64 1.76 2z0iA1 LEU 116 HG -0.02 -0.01 -0.06 -0.04 1.64 1.51 2z0iA1 LEU 116 HD13 -0.02 -0.02 -0.39 -0.04 0.93 0.46 2z0iA1 LEU 116 HD23 -0.00 0.01 -0.01 -0.04 0.89 0.85 2z0iA1 VAL 117 H 0.01 0.29 0.09 -0.55 8.24 8.08 2z0iA1 VAL 117 HA -0.00 0.07 0.66 -0.75 4.13 4.10 2z0iA1 VAL 117 HB 0.02 0.04 0.13 -0.04 2.12 2.27 2z0iA1 VAL 117 HG13 0.02 -0.04 -0.17 -0.04 0.97 0.74 2z0iA1 VAL 117 HG23 0.04 0.05 -0.14 -0.04 0.95 0.87 2z0iA1 ALA 118 H -0.04 0.59 0.43 -0.55 8.40 8.83 2z0iA1 ALA 118 HA -0.03 0.20 1.06 -0.75 4.34 4.82 2z0iA1 ALA 118 HB3 -0.07 0.02 -0.09 -0.04 1.41 1.22 2z0iA1 CYS 119 H -0.04 0.76 0.37 -0.55 8.50 9.04 2z0iA1 CYS 119 HA -0.08 0.16 1.11 -0.75 4.58 5.01 2z0iA1 CYS 119 HB2 -0.03 0.00 0.04 -0.04 2.97 2.94 2z0iA1 CYS 119 HB3 0.01 -0.03 -0.05 -0.04 2.97 2.86 2z0iA1 ASP 120 H -0.15 0.43 0.21 -0.55 8.40 8.34 2z0iA1 ASP 120 HA -0.00 0.21 0.88 -0.75 4.63 4.96 2z0iA1 ASP 120 HB2 -0.25 0.02 0.00 -0.04 2.71 2.44 2z0iA1 ASP 120 HB3 -0.02 -0.00 0.25 -0.04 2.70 2.89 2z0iA1 VAL 121 H -0.09 0.20 -0.04 -0.55 8.24 7.76 2z0iA1 VAL 121 HA -0.26 0.06 0.54 -0.75 4.13 3.72 2z0iA1 VAL 121 HB -0.10 -0.06 0.04 -0.04 2.12 1.95 2z0iA1 VAL 121 HG13 -0.13 0.01 -0.07 -0.04 0.97 0.74 2z0iA1 VAL 121 HG23 -0.30 0.01 -0.06 -0.04 0.95 0.55 2z0iA1 CYS 122 H -0.04 0.30 0.27 -0.55 8.50 8.48 2z0iA1 CYS 122 HA -0.04 0.07 0.71 -0.75 4.58 4.57 2z0iA1 CYS 122 HB2 0.01 0.04 -0.24 -0.04 2.97 2.73 2z0iA1 CYS 122 HB3 0.05 0.07 -0.03 -0.04 2.97 3.02 2z0iA1 LEU 123 H -0.01 0.14 0.01 -0.55 8.37 7.96 2z0iA1 LEU 123 HA 0.00 0.24 0.69 -0.75 4.35 4.52 2z0iA1 LEU 123 HB2 -0.02 0.03 0.09 -0.04 1.64 1.70 2z0iA1 LEU 123 HB3 -0.02 0.02 0.07 -0.04 1.64 1.67 2z0iA1 LEU 123 HG -0.02 -0.06 -0.17 -0.04 1.64 1.35 2z0iA1 LEU 123 HD13 -0.03 0.01 -0.05 -0.04 0.93 0.83 2z0iA1 LEU 123 HD23 -0.01 0.03 -0.18 -0.04 0.89 0.69 2z0iA1 LEU 142 HA -0.02 -0.10 0.24 -0.75 4.35 3.72 2z0iA1 LEU 142 HB2 -0.02 0.06 0.14 -0.04 1.64 1.77 2z0iA1 LEU 142 HB3 -0.02 -0.13 0.06 -0.04 1.64 1.51 2z0iA1 LEU 142 HG -0.02 0.04 0.05 -0.04 1.64 1.68 2z0iA1 LEU 142 HD13 -0.02 0.01 0.02 -0.04 0.93 0.91 2z0iA1 LEU 142 HD23 -0.01 -0.00 0.04 -0.04 0.89 0.87 2z0iA1 SER 143 H -0.02 0.17 0.14 -0.55 8.46 8.20 2z0iA1 SER 143 HA -0.02 0.18 0.59 -0.75 4.49 4.48 2z0iA1 SER 143 HB2 -0.01 0.08 0.06 -0.04 3.95 4.04 2z0iA1 SER 143 HB3 -0.02 0.08 0.09 -0.04 3.93 4.04 2z0iA1 GLU 144 H -0.01 0.09 -0.04 -0.55 8.60 8.09 2z0iA1 GLU 144 HA -0.01 0.15 0.46 -0.75 4.29 4.14 2z0iA1 GLU 144 HB2 -0.01 0.04 0.11 -0.04 2.09 2.19 2z0iA1 GLU 144 HB3 -0.01 -0.03 0.07 -0.04 1.99 1.98 2z0iA1 GLU 144 HG2 -0.00 0.02 -0.02 -0.04 2.34 2.30 2z0iA1 GLU 144 HG3 -0.00 0.01 -0.21 -0.04 2.34 2.09 2z0iA1 GLU 145 H -0.01 0.15 -0.29 -0.55 8.60 7.90 2z0iA1 GLU 145 HA -0.01 0.11 0.50 -0.75 4.29 4.14 2z0iA1 GLU 145 HB2 -0.01 0.13 -0.03 -0.04 2.09 2.13 2z0iA1 GLU 145 HB3 -0.01 0.02 0.09 -0.04 1.99 2.05 2z0iA1 GLU 145 HG2 -0.01 0.02 -0.03 -0.04 2.34 2.28 2z0iA1 GLU 145 HG3 -0.01 -0.10 -0.02 -0.04 2.34 2.17 2z0iA1 SER 146 H -0.01 0.16 -0.84 -0.55 8.46 7.22 2z0iA1 SER 146 HA -0.01 0.14 0.71 -0.75 4.49 4.57 2z0iA1 SER 146 HB2 -0.02 0.09 0.05 -0.04 3.95 4.03 2z0iA1 SER 146 HB3 -0.02 -0.04 -0.07 -0.04 3.93 3.76 2z0iA1 ARG 147 H -0.01 0.31 -0.14 -0.55 8.46 8.07 2z0iA1 ARG 147 HA -0.01 0.08 0.36 -0.75 4.34 4.01 2z0iA1 ARG 147 HB2 -0.00 0.04 0.18 -0.04 1.90 2.07 2z0iA1 ARG 147 HB3 -0.00 -0.02 -0.02 -0.04 1.80 1.72 2z0iA1 ARG 147 HG2 -0.01 0.00 -0.05 -0.04 1.67 1.57 2z0iA1 ARG 147 HG3 -0.01 0.26 0.14 -0.04 1.67 2.02 2z0iA1 ARG 147 HD2 -0.00 -0.03 0.07 -0.04 3.22 3.22 2z0iA1 ARG 147 HD3 -0.00 -0.02 0.01 -0.04 3.22 3.16 2z0iA1 GLN 148 H -0.00 0.24 -0.12 -0.55 8.47 8.04 2z0iA1 GLN 148 HA -0.00 0.07 0.37 -0.75 4.36 4.05 2z0iA1 GLN 148 HB2 0.01 0.02 0.02 -0.04 2.15 2.15 2z0iA1 GLN 148 HB3 0.00 0.04 0.07 -0.04 2.02 2.09 2z0iA1 GLN 148 HG2 -0.00 0.05 -0.20 -0.04 2.40 2.21 2z0iA1 GLN 148 HG3 0.00 0.02 -0.05 -0.04 2.39 2.31 2z0iA1 GLN 148 HE21 -0.00 -0.01 0.07 -0.04 6.97 6.98 2z0iA1 GLN 148 HE22 0.00 -0.02 0.00 -0.04 7.69 7.64 2z0iA1 ARG 149 H -0.01 0.15 -0.64 -0.55 8.46 7.41 2z0iA1 ARG 149 HA 0.00 0.03 0.36 -0.75 4.34 3.98 2z0iA1 ARG 149 HB2 -0.01 0.20 0.05 -0.04 1.90 2.10 2z0iA1 ARG 149 HB3 -0.00 -0.02 0.01 -0.04 1.80 1.75 2z0iA1 ARG 149 HG2 -0.00 -0.05 0.02 -0.04 1.67 1.59 2z0iA1 ARG 149 HG3 -0.01 0.12 0.08 -0.04 1.67 1.83 2z0iA1 ARG 149 HD2 -0.01 -0.03 0.01 -0.04 3.22 3.15 2z0iA1 ARG 149 HD3 -0.01 -0.04 -0.00 -0.04 3.22 3.13 2z0iA1 LEU 150 H -0.01 0.46 -0.39 -0.55 8.37 7.88 2z0iA1 LEU 150 HA -0.02 0.06 0.53 -0.75 4.35 4.17 2z0iA1 LEU 150 HB2 -0.02 0.03 0.04 -0.04 1.64 1.65 2z0iA1 LEU 150 HB3 -0.02 0.17 0.12 -0.04 1.64 1.87 2z0iA1 LEU 150 HG -0.03 -0.02 -0.08 -0.04 1.64 1.46 2z0iA1 LEU 150 HD13 -0.04 0.00 -0.09 -0.04 0.93 0.75 2z0iA1 LEU 150 HD23 -0.02 -0.01 -0.01 -0.04 0.89 0.81 2z0iA1 ALA 151 H -0.01 0.29 -0.16 -0.55 8.40 7.97 2z0iA1 ALA 151 HA -0.02 0.06 0.47 -0.75 4.34 4.09 2z0iA1 ALA 151 HB3 -0.01 0.02 -0.01 -0.04 1.41 1.36 2z0iA1 GLU 152 H -0.01 0.67 -0.02 -0.55 8.60 8.70 2z0iA1 GLU 152 HA -0.02 0.05 0.33 -0.75 4.29 3.89 2z0iA1 GLU 152 HB2 0.01 -0.02 0.01 -0.04 2.09 2.05 2z0iA1 GLU 152 HB3 0.00 0.01 0.08 -0.04 1.99 2.04 2z0iA1 GLU 152 HG2 0.00 0.06 0.11 -0.04 2.34 2.47 2z0iA1 GLU 152 HG3 0.02 0.03 -0.11 -0.04 2.34 2.23 2z0iA1 VAL 153 H 0.01 0.23 -0.56 -0.55 8.24 7.37 2z0iA1 VAL 153 HA 0.12 0.06 0.43 -0.75 4.13 3.99 2z0iA1 VAL 153 HB -0.02 0.08 0.12 -0.04 2.12 2.25 2z0iA1 VAL 153 HG13 0.06 -0.01 -0.10 -0.04 0.97 0.89 2z0iA1 VAL 153 HG23 0.04 0.08 0.07 -0.04 0.95 1.10 2z0iA1 ALA 154 H -0.04 0.51 -0.02 -0.55 8.40 8.30 2z0iA1 ALA 154 HA -0.17 -0.04 0.33 -0.75 4.34 3.70 2z0iA1 ALA 154 HB3 -0.07 0.02 0.08 -0.04 1.41 1.41 2z0iA1 LEU 155 H -0.01 0.62 -0.41 -0.55 8.37 8.02 2z0iA1 LEU 155 HA -0.04 0.05 0.36 -0.75 4.35 3.97 2z0iA1 LEU 155 HB2 -0.09 0.12 0.01 -0.04 1.64 1.63 2z0iA1 LEU 155 HB3 -0.07 0.07 0.01 -0.04 1.64 1.60 2z0iA1 LEU 155 HG -0.27 0.03 -0.06 -0.04 1.64 1.30 2z0iA1 LEU 155 HD13 -0.63 -0.03 -0.07 -0.04 0.93 0.16 2z0iA1 LEU 155 HD23 -0.18 -0.03 -0.09 -0.04 0.89 0.54 2z0iA1 ALA 156 H 0.08 0.43 -0.29 -0.55 8.40 8.07 2z0iA1 ALA 156 HA 0.01 0.00 0.44 -0.75 4.34 4.04 2z0iA1 ALA 156 HB3 0.07 0.04 0.17 -0.04 1.41 1.65 2z0iA1 TYR 157 H 0.49 0.41 -0.12 -0.55 8.29 8.51 2z0iA1 TYR 157 HA -0.01 -0.02 0.37 -0.75 4.56 4.14 2z0iA1 TYR 157 HB2 -0.01 0.18 0.05 -0.04 3.06 3.23 2z0iA1 TYR 157 HB3 -0.01 -0.05 -0.06 -0.04 2.98 2.83 2z0iA1 TYR 157 HD2 -0.01 0.21 -0.02 -0.04 7.15 7.29 2z0iA1 TYR 157 HE2 0.00 -0.02 -0.08 -0.04 6.85 6.71 2z0iA1 ALA 158 H 0.11 0.43 -0.31 -0.55 8.40 8.08 2z0iA1 ALA 158 HA 0.05 0.20 0.35 -0.75 4.34 4.18 2z0iA1 ALA 158 HB3 0.01 0.05 0.08 -0.04 1.41 1.51 2z0iA1 LYS 159 H 0.02 0.46 -0.07 -0.55 8.42 8.27 2z0iA1 LYS 159 HA 0.01 0.04 0.38 -0.75 4.32 4.00 2z0iA1 LYS 159 HB2 0.00 0.08 0.13 -0.04 1.87 2.04 2z0iA1 LYS 159 HB3 0.01 -0.07 0.02 -0.04 1.79 1.71 2z0iA1 LYS 159 HG2 0.02 -0.03 0.05 -0.04 1.46 1.47 2z0iA1 LYS 159 HG3 -0.01 0.16 0.11 -0.04 1.46 1.68 2z0iA1 LYS 159 HD2 0.00 -0.01 0.00 -0.04 1.69 1.65 2z0iA1 LYS 159 HD3 0.02 -0.05 0.01 -0.04 1.68 1.62 2z0iA1 LYS 159 HE2 0.09 0.00 0.02 -0.04 2.99 3.06 2z0iA1 LYS 159 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.94 2z0iA1 ALA 160 H 0.00 0.37 -0.31 -0.55 8.40 7.92 2z0iA1 ALA 160 HA -0.02 -0.04 0.37 -0.75 4.34 3.89 2z0iA1 ALA 160 HB3 -0.06 0.00 0.12 -0.04 1.41 1.43 2z0iA1 GLY 161 H 0.02 0.41 -0.47 -0.55 8.43 7.84 2z0iA1 GLY 161 HA2 0.01 0.04 0.23 -0.51 4.01 3.78 2z0iA1 GLY 161 HA3 0.01 0.10 0.83 -0.51 4.01 4.44 2z0iA1 CYS 162 H 0.05 0.53 0.11 -0.55 8.50 8.64 2z0iA1 CYS 162 HA 0.04 -0.04 0.33 -0.75 4.58 4.16 2z0iA1 CYS 162 HB2 0.15 -0.08 -0.11 -0.04 2.97 2.90 2z0iA1 CYS 162 HB3 0.09 -0.03 -0.47 -0.04 2.97 2.52 2z0iA1 GLN 163 H 0.02 0.35 0.34 -0.55 8.47 8.62 2z0iA1 GLN 163 HA 0.01 0.26 0.98 -0.75 4.36 4.86 2z0iA1 GLN 163 HB2 0.00 0.01 0.16 -0.04 2.15 2.28 2z0iA1 GLN 163 HB3 0.00 -0.05 0.15 -0.04 2.02 2.09 2z0iA1 GLN 163 HG2 0.01 0.06 0.05 -0.04 2.40 2.47 2z0iA1 GLN 163 HG3 0.02 0.14 0.09 -0.04 2.39 2.60 2z0iA1 GLN 163 HE21 0.01 0.08 0.07 -0.04 6.97 7.09 2z0iA1 GLN 163 HE22 0.01 -0.03 0.07 -0.04 7.69 7.70 2z0iA1 VAL 164 H -0.00 0.15 0.20 -0.55 8.24 8.04 2z0iA1 VAL 164 HA -0.01 0.38 0.86 -0.75 4.13 4.61 2z0iA1 VAL 164 HB -0.03 -0.11 0.06 -0.04 2.12 2.00 2z0iA1 VAL 164 HG13 -0.03 -0.01 -0.29 -0.04 0.97 0.61 2z0iA1 VAL 164 HG23 -0.02 -0.00 -0.29 -0.04 0.95 0.60 2z0iA1 VAL 165 H -0.02 0.58 0.23 -0.55 8.24 8.48 2z0iA1 VAL 165 HA -0.06 0.12 0.89 -0.75 4.13 4.32 2z0iA1 VAL 165 HB -0.07 -0.11 0.01 -0.04 2.12 1.91 2z0iA1 VAL 165 HG13 -0.04 0.00 -0.11 -0.04 0.97 0.79 2z0iA1 VAL 165 HG23 -0.02 0.06 0.04 -0.04 0.95 0.99 2z0iA1 ALA 166 H -0.04 0.54 0.37 -0.55 8.40 8.72 2z0iA1 ALA 166 HA 0.08 0.32 0.99 -0.75 4.34 4.98 2z0iA1 ALA 166 HB3 0.15 -0.00 -0.10 -0.04 1.41 1.42 2z0iA1 PRO 167 HA -0.04 0.30 0.68 -0.51 4.44 4.88 2z0iA1 PRO 167 HB2 -0.01 -0.09 0.05 -0.04 2.28 2.18 2z0iA1 PRO 167 HB3 -0.02 0.05 0.07 -0.04 2.02 2.08 2z0iA1 PRO 167 HG2 0.07 -0.08 0.19 -0.04 2.03 2.17 2z0iA1 PRO 167 HG3 0.02 0.04 -0.00 -0.04 2.03 2.05 2z0iA1 PRO 167 HD2 0.07 0.32 0.26 -0.04 3.68 4.29 2z0iA1 PRO 167 HD3 0.01 0.13 -0.10 -0.04 3.65 3.65 2z0iA1 SER 168 H -0.15 0.46 0.19 -0.55 8.46 8.41 2z0iA1 SER 168 HA -0.58 0.20 0.88 -0.75 4.49 4.23 2z0iA1 SER 168 HB2 -0.82 -0.01 0.14 -0.04 3.95 3.22 2z0iA1 SER 168 HB3 -1.64 0.05 -0.10 -0.04 3.93 2.20 2z0iA1 ASP 169 H -0.09 0.11 -0.27 -0.55 8.40 7.60 2z0iA1 ASP 169 HA -0.03 0.22 0.67 -0.75 4.63 4.73 2z0iA1 ASP 169 HB2 -0.03 0.01 0.05 -0.04 2.71 2.70 2z0iA1 ASP 169 HB3 -0.01 0.03 0.06 -0.04 2.70 2.74 2z0iA1 ASP 172 HA -0.01 -0.06 0.27 -0.75 4.63 4.08 2z0iA1 ASP 172 HB2 -0.00 -0.04 0.13 -0.04 2.71 2.75 2z0iA1 ASP 172 HB3 -0.00 0.01 -0.01 -0.04 2.70 2.66 2z0iA1 GLY 173 H -0.01 0.11 0.15 -0.55 8.43 8.14 2z0iA1 GLY 173 HA2 -0.00 0.01 0.34 -0.51 4.01 3.85 2z0iA1 GLY 173 HA3 -0.00 0.23 0.76 -0.51 4.01 4.49 2z0iA1 ARG 174 H -0.01 0.17 -0.01 -0.55 8.46 8.07 2z0iA1 ARG 174 HA -0.01 0.08 0.34 -0.75 4.34 4.00 2z0iA1 ARG 174 HB2 -0.01 0.02 0.03 -0.04 1.90 1.90 2z0iA1 ARG 174 HB3 -0.01 0.08 0.06 -0.04 1.80 1.89 2z0iA1 ARG 174 HG2 -0.00 -0.10 0.11 -0.04 1.67 1.63 2z0iA1 ARG 174 HG3 0.00 0.08 -0.13 -0.04 1.67 1.58 2z0iA1 ARG 174 HD2 -0.01 -0.07 -0.05 -0.04 3.22 3.05 2z0iA1 ARG 174 HD3 -0.01 -0.00 0.04 -0.04 3.22 3.20 2z0iA1 VAL 175 H -0.00 0.01 -0.22 -0.55 8.24 7.48 2z0iA1 VAL 175 HA -0.00 0.14 0.40 -0.75 4.13 3.91 2z0iA1 VAL 175 HB -0.00 -0.10 0.08 -0.04 2.12 2.05 2z0iA1 VAL 175 HG13 -0.00 0.10 -0.35 -0.04 0.97 0.67 2z0iA1 VAL 175 HG23 -0.00 0.00 0.01 -0.04 0.95 0.92 2z0iA1 GLU 176 H -0.00 0.01 -0.07 -0.55 8.60 7.99 2z0iA1 GLU 176 HA 0.00 0.29 0.41 -0.75 4.29 4.23 2z0iA1 GLU 176 HB2 0.00 0.02 0.16 -0.04 2.09 2.23 2z0iA1 GLU 176 HB3 0.00 -0.01 0.12 -0.04 1.99 2.06 2z0iA1 GLU 176 HG2 0.00 -0.03 0.00 -0.04 2.34 2.28 2z0iA1 GLU 176 HG3 0.00 -0.03 -0.21 -0.04 2.34 2.06 2z0iA1 ALA 177 H -0.00 0.44 -0.30 -0.55 8.40 7.99 2z0iA1 ALA 177 HA 0.00 0.00 0.36 -0.75 4.34 3.95 2z0iA1 ALA 177 HB3 -0.00 0.01 0.02 -0.04 1.41 1.39 2z0iA1 ILE 178 H -0.01 0.50 -0.06 -0.55 8.25 8.13 2z0iA1 ILE 178 HA -0.02 -0.06 0.38 -0.75 4.18 3.73 2z0iA1 ILE 178 HB -0.01 0.12 0.14 -0.04 1.89 2.09 2z0iA1 ILE 178 HG12 -0.03 -0.06 -0.11 -0.04 1.49 1.26 2z0iA1 ILE 178 HG13 -0.02 0.15 0.11 -0.04 1.21 1.41 2z0iA1 ILE 178 HG23 -0.02 -0.01 -0.14 -0.04 0.93 0.72 2z0iA1 ILE 178 HD13 -0.03 -0.03 -0.03 -0.04 0.88 0.74 2z0iA1 LYS 179 H -0.00 0.82 -0.10 -0.55 8.42 8.59 2z0iA1 LYS 179 HA 0.00 0.06 0.37 -0.75 4.32 4.00 2z0iA1 LYS 179 HB2 0.00 0.06 0.02 -0.04 1.87 1.91 2z0iA1 LYS 179 HB3 0.00 0.02 0.09 -0.04 1.79 1.87 2z0iA1 LYS 179 HG2 0.00 0.09 0.09 -0.04 1.46 1.61 2z0iA1 LYS 179 HG3 0.01 -0.11 -0.02 -0.04 1.46 1.30 2z0iA1 LYS 179 HD2 0.00 -0.06 0.10 -0.04 1.69 1.70 2z0iA1 LYS 179 HD3 0.00 0.02 0.03 -0.04 1.68 1.69 2z0iA1 LYS 179 HE2 0.00 0.07 0.11 -0.04 2.99 3.13 2z0iA1 LYS 179 HE3 0.01 -0.09 0.09 -0.04 2.99 2.95 2z0iA1 ALA 180 H 0.01 0.66 -0.20 -0.55 8.40 8.31 2z0iA1 ALA 180 HA 0.02 -0.00 0.49 -0.75 4.34 4.09 2z0iA1 ALA 180 HB3 0.02 0.00 0.12 -0.04 1.41 1.51 2z0iA1 ALA 181 H 0.01 0.62 -0.08 -0.55 8.40 8.41 2z0iA1 ALA 181 HA 0.05 -0.05 0.35 -0.75 4.34 3.93 2z0iA1 ALA 181 HB3 -0.03 0.03 0.06 -0.04 1.41 1.42 2z0iA1 LEU 182 H 0.01 0.48 -0.43 -0.55 8.37 7.87 2z0iA1 LEU 182 HA 0.00 0.03 0.38 -0.75 4.35 4.00 2z0iA1 LEU 182 HB2 0.01 0.17 0.05 -0.04 1.64 1.83 2z0iA1 LEU 182 HB3 0.01 0.17 -0.37 -0.04 1.64 1.41 2z0iA1 LEU 182 HG -0.01 0.22 -0.04 -0.04 1.64 1.77 2z0iA1 LEU 182 HD13 -0.00 0.01 -0.09 -0.04 0.93 0.82 2z0iA1 LEU 182 HD23 -0.02 -0.02 -0.13 -0.04 0.89 0.69 2z0iA1 LEU 183 H 0.04 0.48 -0.11 -0.55 8.37 8.22 2z0iA1 LEU 183 HA 0.04 -0.07 0.40 -0.75 4.35 3.97 2z0iA1 LEU 183 HB2 0.03 0.10 0.16 -0.04 1.64 1.89 2z0iA1 LEU 183 HB3 0.02 -0.08 0.07 -0.04 1.64 1.61 2z0iA1 LEU 183 HG 0.02 0.43 0.17 -0.04 1.64 2.22 2z0iA1 LEU 183 HD13 0.01 -0.03 -0.02 -0.04 0.93 0.86 2z0iA1 LEU 183 HD23 0.02 -0.04 0.02 -0.04 0.89 0.84 2z0iA1 LYS 184 H 0.11 0.50 -0.33 -0.55 8.42 8.15 2z0iA1 LYS 184 HA 0.02 0.03 0.46 -0.75 4.32 4.07 2z0iA1 LYS 184 HB2 0.28 0.14 0.02 -0.04 1.87 2.27 2z0iA1 LYS 184 HB3 0.03 -0.08 0.08 -0.04 1.79 1.77 2z0iA1 LYS 184 HG2 0.03 -0.08 -0.00 -0.04 1.46 1.37 2z0iA1 LYS 184 HG3 0.06 0.36 0.03 -0.04 1.46 1.88 2z0iA1 LYS 184 HD2 0.09 0.00 -0.09 -0.04 1.69 1.66 2z0iA1 LYS 184 HD3 0.06 -0.06 -0.02 -0.04 1.68 1.61 2z0iA1 LYS 184 HE2 0.03 -0.03 -0.04 -0.04 2.99 2.90 2z0iA1 LYS 184 HE3 0.03 0.03 -0.12 -0.04 2.99 2.88 2z0iA1 HIS 185 H 0.20 0.33 -0.64 -0.55 8.41 7.75 2z0iA1 HIS 185 HA 0.01 0.17 0.89 -0.75 4.63 4.94 2z0iA1 HIS 185 HB2 0.01 0.09 0.08 -0.04 3.26 3.40 2z0iA1 HIS 185 HB3 0.01 -0.04 0.19 -0.04 3.20 3.32 2z0iA1 HIS 185 HD2 0.01 -0.03 0.00 -0.04 6.97 6.90 2z0iA1 HIS 185 HE1 0.01 -0.08 -0.06 -0.04 7.75 7.57 2z0iA1 GLY 186 H 0.06 0.33 -0.22 -0.55 8.43 8.05 2z0iA1 GLY 186 HA2 0.03 0.01 0.41 -0.51 4.01 3.94 2z0iA1 GLY 186 HA3 0.03 0.12 0.50 -0.51 4.01 4.15 2z0iA1 LEU 187 H 0.07 0.24 -0.69 -0.55 8.37 7.45 2z0iA1 LEU 187 HA 0.03 0.05 0.38 -0.75 4.35 4.06 2z0iA1 LEU 187 HB2 0.03 0.01 0.04 -0.04 1.64 1.68 2z0iA1 LEU 187 HB3 0.02 0.03 0.09 -0.04 1.64 1.75 2z0iA1 LEU 187 HG 0.05 0.09 0.00 -0.04 1.64 1.74 2z0iA1 LEU 187 HD13 0.02 0.00 -0.12 -0.04 0.93 0.79 2z0iA1 LEU 187 HD23 0.02 0.01 -0.07 -0.04 0.89 0.82 2z0iA1 GLY 188 H 0.03 0.25 -1.08 -0.55 8.43 7.08 2z0iA1 GLY 188 HA2 0.02 0.14 0.37 -0.51 4.01 4.02 2z0iA1 GLY 188 HA3 0.02 -0.02 0.12 -0.51 4.01 3.62 2z0iA1 ASN 189 H 0.02 0.23 -0.01 -0.55 8.53 8.23 2z0iA1 ASN 189 HA 0.01 0.26 0.82 -0.75 4.76 5.09 2z0iA1 ASN 189 HB2 0.01 0.01 0.18 -0.04 2.88 3.03 2z0iA1 ASN 189 HB3 0.01 -0.02 0.02 -0.04 2.79 2.75 2z0iA1 ASN 189 HD21 0.01 -0.03 -0.01 -0.04 7.03 6.96 2z0iA1 ASN 189 HD22 0.01 0.00 0.02 -0.04 7.74 7.73 2z0iA1 ARG 190 H 0.01 0.12 -0.49 -0.55 8.46 7.55 2z0iA1 ARG 190 HA 0.01 0.19 0.83 -0.75 4.34 4.61 2z0iA1 ARG 190 HB2 0.02 -0.12 -0.02 -0.04 1.90 1.74 2z0iA1 ARG 190 HB3 0.01 0.09 0.02 -0.04 1.80 1.89 2z0iA1 ARG 190 HG2 0.01 -0.00 -0.12 -0.04 1.67 1.52 2z0iA1 ARG 190 HG3 0.01 -0.05 -0.03 -0.04 1.67 1.56 2z0iA1 ARG 190 HD2 0.01 0.05 0.07 -0.04 3.22 3.31 2z0iA1 ARG 190 HD3 0.01 0.06 0.12 -0.04 3.22 3.37 2z0iA1 VAL 191 H 0.01 0.11 -0.21 -0.55 8.24 7.60 2z0iA1 VAL 191 HA 0.01 0.25 0.88 -0.75 4.13 4.52 2z0iA1 VAL 191 HB 0.01 0.05 0.08 -0.04 2.12 2.22 2z0iA1 VAL 191 HG13 0.00 -0.02 -0.29 -0.04 0.97 0.63 2z0iA1 VAL 191 HG23 0.01 -0.01 -0.18 -0.04 0.95 0.73 2z0iA1 SER 192 H -0.00 0.62 0.27 -0.55 8.46 8.80 2z0iA1 SER 192 HA -0.00 0.13 0.75 -0.75 4.49 4.61 2z0iA1 SER 192 HB2 -0.01 -0.01 0.13 -0.04 3.95 4.02 2z0iA1 SER 192 HB3 -0.00 -0.00 0.08 -0.04 3.93 3.96 2z0iA1 VAL 193 H -0.01 0.17 0.21 -0.55 8.24 8.06 2z0iA1 VAL 193 HA -0.01 0.26 0.99 -0.75 4.13 4.62 2z0iA1 VAL 193 HB -0.00 -0.05 0.14 -0.04 2.12 2.17 2z0iA1 VAL 193 HG13 -0.00 0.02 -0.07 -0.04 0.97 0.87 2z0iA1 VAL 193 HG23 -0.01 0.01 -0.18 -0.04 0.95 0.74 2z0iA1 SER 195 HA 0.13 -0.05 0.29 -0.75 4.49 4.10 2z0iA1 SER 195 HB2 0.03 -0.05 -0.00 -0.04 3.95 3.88 2z0iA1 SER 195 HB3 0.02 -0.01 0.00 -0.04 3.93 3.90 2z0iA1 TYR 196 H 0.42 0.34 0.02 -0.55 8.29 8.52 2z0iA1 TYR 196 HA 0.00 0.16 0.32 -0.75 4.56 4.29 2z0iA1 TYR 196 HB2 -0.03 -0.01 0.16 -0.04 3.06 3.14 2z0iA1 TYR 196 HB3 -0.03 -0.04 0.01 -0.04 2.98 2.88 2z0iA1 TYR 196 HD2 -0.04 0.02 -0.19 -0.04 7.15 6.90 2z0iA1 TYR 196 HE2 -0.08 -0.02 -0.22 -0.04 6.85 6.48 2z0iA1 SER 197 H 0.01 0.77 0.09 -0.55 8.46 8.78 2z0iA1 SER 197 HA -0.01 -0.07 0.24 -0.75 4.49 3.89 2z0iA1 SER 197 HB2 -0.01 -0.01 0.24 -0.04 3.95 4.13 2z0iA1 SER 197 HB3 -0.04 -0.08 0.09 -0.04 3.93 3.86 2z0iA1 ALA 198 H 0.03 0.23 -0.08 -0.55 8.40 8.03 2z0iA1 ALA 198 HA -0.17 0.14 0.96 -0.75 4.34 4.52 2z0iA1 ALA 198 HB3 0.11 0.01 0.10 -0.04 1.41 1.59 2z0iA1 LYS 199 H -0.13 0.26 -0.02 -0.55 8.42 7.98 2z0iA1 LYS 199 HA 0.12 0.27 0.95 -0.75 4.32 4.90 2z0iA1 LYS 199 HB2 0.10 0.07 0.02 -0.04 1.87 2.01 2z0iA1 LYS 199 HB3 -0.06 -0.06 0.19 -0.04 1.79 1.82 2z0iA1 LYS 199 HG2 -0.05 0.02 -0.15 -0.04 1.46 1.24 2z0iA1 LYS 199 HG3 0.07 -0.02 0.00 -0.04 1.46 1.47 2z0iA1 LYS 199 HD2 -0.18 -0.03 -0.01 -0.04 1.69 1.44 2z0iA1 LYS 199 HD3 -0.17 0.00 -0.03 -0.04 1.68 1.45 2z0iA1 LYS 199 HE2 -0.27 -0.05 -0.03 -0.04 2.99 2.60 2z0iA1 LYS 199 HE3 -0.34 0.08 0.02 -0.04 2.99 2.70 2z0iA1 PHE 200 H 0.33 0.61 0.26 -0.55 8.34 8.98 2z0iA1 PHE 200 HA -0.10 0.27 0.54 -0.75 4.62 4.57 2z0iA1 PHE 200 HB2 -0.61 -0.05 0.01 -0.04 3.15 2.46 2z0iA1 PHE 200 HB3 -0.29 -0.09 -0.19 -0.04 3.06 2.44 2z0iA1 PHE 200 HD2 -0.23 0.15 -0.19 -0.04 7.28 6.97 2z0iA1 PHE 200 HE2 -0.06 -0.04 -0.16 -0.04 7.38 7.07 2z0iA1 PHE 200 HZ -0.03 -0.05 -0.11 -0.04 7.32 7.08 2z0iA1 ALA 201 H 0.09 0.69 0.14 -0.55 8.40 8.78 2z0iA1 ALA 201 HA 0.15 0.07 0.54 -0.75 4.34 4.35 2z0iA1 ALA 201 HB3 0.02 0.01 0.12 -0.04 1.41 1.52 2z0iA1 SER 202 H 0.48 0.34 0.18 -0.55 8.46 8.91 2z0iA1 SER 202 HA 0.06 0.20 0.86 -0.75 4.49 4.86 2z0iA1 SER 202 HB2 0.25 0.14 -0.02 -0.04 3.95 4.28 2z0iA1 SER 202 HB3 -0.57 0.08 0.05 -0.04 3.93 3.45 2z0iA1 CYS 203 H -0.37 0.18 0.18 -0.55 8.50 7.94 2z0iA1 CYS 203 HA -0.08 0.24 0.80 -0.75 4.58 4.79 2z0iA1 CYS 203 HB2 -0.19 0.01 0.18 -0.04 2.97 2.92 2z0iA1 CYS 203 HB3 -0.16 0.09 0.06 -0.04 2.97 2.91 2z0iA1 PHE 204 H -0.36 0.12 -0.09 -0.55 8.34 7.46 2z0iA1 PHE 204 HA -0.01 0.21 0.70 -0.75 4.62 4.77 2z0iA1 PHE 204 HB2 -0.19 0.08 0.13 -0.04 3.15 3.13 2z0iA1 PHE 204 HB3 0.01 -0.21 0.25 -0.04 3.06 3.07 2z0iA1 PHE 204 HD2 -0.00 0.02 0.03 -0.04 7.28 7.28 2z0iA1 PHE 204 HE2 -0.03 0.08 -0.02 -0.04 7.38 7.37 2z0iA1 PHE 204 HZ -0.02 0.07 -0.02 -0.04 7.32 7.31 2z0iA1 TYR 205 H 0.04 0.27 -0.76 -0.55 8.29 7.28 2z0iA1 TYR 205 HA 0.17 0.09 0.83 -0.75 4.56 4.90 2z0iA1 TYR 205 HB2 0.08 0.11 -0.05 -0.04 3.06 3.16 2z0iA1 TYR 205 HB3 0.17 0.03 0.09 -0.04 2.98 3.23 2z0iA1 TYR 205 HD2 0.03 0.07 -0.01 -0.04 7.15 7.20 2z0iA1 TYR 205 HE2 -0.00 -0.08 0.07 -0.04 6.85 6.80 2z0iA1 GLY 206 H 0.13 0.20 -0.09 -0.55 8.43 8.13 2z0iA1 GLY 206 HA2 0.08 0.10 0.35 -0.51 4.01 4.02 2z0iA1 GLY 206 HA3 0.08 0.12 0.33 -0.51 4.01 4.03 2z0iA1 PRO 207 HA -0.01 0.06 0.34 -0.51 4.44 4.31 2z0iA1 PRO 207 HB2 0.06 -0.04 -0.13 -0.04 2.28 2.13 2z0iA1 PRO 207 HB3 -0.03 0.11 -0.16 -0.04 2.02 1.90 2z0iA1 PRO 207 HG2 0.16 0.13 -0.12 -0.04 2.03 2.16 2z0iA1 PRO 207 HG3 0.10 0.09 0.01 -0.04 2.03 2.19 2z0iA1 PRO 207 HD2 0.18 -0.01 -0.20 -0.04 3.68 3.61 2z0iA1 PRO 207 HD3 0.12 0.13 0.08 -0.04 3.65 3.94 2z0iA1 PHE 208 H 0.23 0.07 -0.58 -0.55 8.34 7.52 2z0iA1 PHE 208 HA -0.18 0.11 0.44 -0.75 4.62 4.23 2z0iA1 PHE 208 HB2 0.11 -0.12 0.08 -0.04 3.15 3.18 2z0iA1 PHE 208 HB3 0.07 0.14 0.09 -0.04 3.06 3.32 2z0iA1 PHE 208 HD2 -0.06 -0.01 -0.06 -0.04 7.28 7.11 2z0iA1 PHE 208 HE2 -0.29 0.05 -0.09 -0.04 7.38 7.02 2z0iA1 PHE 208 HZ -0.56 0.05 -0.07 -0.04 7.32 6.70 2z0iA1 ARG 209 H 0.04 0.60 -0.03 -0.55 8.46 8.52 2z0iA1 ARG 209 HA -0.30 0.06 0.39 -0.75 4.34 3.74 2z0iA1 ARG 209 HB2 -0.02 0.15 0.14 -0.04 1.90 2.13 2z0iA1 ARG 209 HB3 -0.07 -0.06 0.08 -0.04 1.80 1.71 2z0iA1 ARG 209 HG2 0.11 0.19 0.04 -0.04 1.67 1.98 2z0iA1 ARG 209 HG3 0.05 -0.07 -0.04 -0.04 1.67 1.57 2z0iA1 ARG 209 HD2 -0.05 -0.01 0.01 -0.04 3.22 3.13 2z0iA1 ARG 209 HD3 -0.12 0.00 -0.03 -0.04 3.22 3.03 2z0iA1 ASP 210 H -0.16 0.23 -0.68 -0.55 8.40 7.25 2z0iA1 ASP 210 HA -0.14 0.13 0.75 -0.75 4.63 4.61 2z0iA1 ASP 210 HB2 -0.08 -0.01 -0.01 -0.04 2.71 2.57 2z0iA1 ASP 210 HB3 -0.12 0.12 0.07 -0.04 2.70 2.73 2z0iA1 ALA 211 H -0.36 0.27 -0.08 -0.55 8.40 7.68 2z0iA1 ALA 211 HA -0.36 0.10 0.60 -0.75 4.34 3.92 2z0iA1 ALA 211 HB3 -0.77 -0.00 0.06 -0.04 1.41 0.66 2z0iA1 ALA 212 H -0.50 0.04 -0.37 -0.55 8.40 7.02 2z0iA1 ALA 212 HA -0.34 0.22 0.78 -0.75 4.34 4.24 2z0iA1 ALA 212 HB3 -0.68 0.00 -0.03 -0.04 1.41 0.66 2z0iA1 GLN 213 H -0.26 -0.02 -0.48 -0.55 8.47 7.16 2z0iA1 GLN 213 HA -0.14 0.07 0.21 -0.75 4.36 3.75 2z0iA1 GLN 213 HB2 -0.11 0.25 -0.12 -0.04 2.15 2.14 2z0iA1 GLN 213 HB3 -0.09 -0.07 0.05 -0.04 2.02 1.88 2z0iA1 GLN 213 HG2 -0.14 0.01 -0.37 -0.04 2.40 1.86 2z0iA1 GLN 213 HG3 -0.08 -0.01 -0.13 -0.04 2.39 2.13 2z0iA1 GLN 213 HE21 -0.07 -0.05 0.02 -0.04 6.97 6.83 2z0iA1 GLN 213 HE22 -0.07 -0.02 0.00 -0.04 7.69 7.57 2z0iA1 TYR 224 HA -0.03 -0.06 0.12 -0.75 4.56 3.83 2z0iA1 TYR 224 HB2 -0.04 0.08 0.17 -0.04 3.06 3.23 2z0iA1 TYR 224 HB3 -0.03 -0.06 0.08 -0.04 2.98 2.94 2z0iA1 TYR 224 HD2 -0.03 0.06 0.04 -0.04 7.15 7.18 2z0iA1 TYR 224 HE2 -0.03 -0.02 -0.02 -0.04 6.85 6.74 2z0iA1 GLN 225 H -0.13 0.18 -0.06 -0.55 8.47 7.91 2z0iA1 GLN 225 HA -0.20 0.16 0.66 -0.75 4.36 4.22 2z0iA1 GLN 225 HB2 -0.62 0.04 -0.27 -0.04 2.15 1.26 2z0iA1 GLN 225 HB3 -0.25 -0.11 0.09 -0.04 2.02 1.71 2z0iA1 GLN 225 HG2 -0.09 -0.00 -0.45 -0.04 2.40 1.82 2z0iA1 GLN 225 HG3 -0.20 0.11 -0.07 -0.04 2.39 2.19 2z0iA1 GLN 225 HE21 -0.26 -0.09 -0.02 -0.04 6.97 6.57 2z0iA1 GLN 225 HE22 -0.26 0.09 -0.05 -0.04 7.69 7.42 2z0iA1 LEU 226 H -0.17 0.19 0.07 -0.55 8.37 7.90 2z0iA1 LEU 226 HA -0.12 -0.02 0.37 -0.75 4.35 3.82 2z0iA1 LEU 226 HB2 -0.53 0.13 -0.06 -0.04 1.64 1.14 2z0iA1 LEU 226 HB3 -0.47 0.02 -0.07 -0.04 1.64 1.08 2z0iA1 LEU 226 HG -0.18 -0.10 -0.01 -0.04 1.64 1.31 2z0iA1 LEU 226 HD13 -0.16 0.01 0.03 -0.04 0.93 0.77 2z0iA1 LEU 226 HD23 -0.37 0.02 -0.18 -0.04 0.89 0.32 2z0iA1 PRO 227 HA 0.08 0.19 0.61 -0.51 4.44 4.82 2z0iA1 PRO 227 HB2 0.08 -0.08 0.05 -0.04 2.28 2.29 2z0iA1 PRO 227 HB3 0.04 0.09 0.16 -0.04 2.02 2.26 2z0iA1 PRO 227 HG2 0.05 -0.11 0.00 -0.04 2.03 1.94 2z0iA1 PRO 227 HG3 0.03 0.05 0.05 -0.04 2.03 2.12 2z0iA1 PRO 227 HD2 -0.05 0.02 0.23 -0.04 3.68 3.85 2z0iA1 PRO 227 HD3 -0.02 0.19 0.16 -0.04 3.65 3.95 2z0iA1 PRO 228 HA 0.40 0.12 0.36 -0.51 4.44 4.81 2z0iA1 PRO 228 HB2 0.16 -0.05 0.10 -0.04 2.28 2.45 2z0iA1 PRO 228 HB3 0.28 0.05 0.07 -0.04 2.02 2.37 2z0iA1 PRO 228 HG2 0.12 0.00 0.13 -0.04 2.03 2.25 2z0iA1 PRO 228 HG3 0.25 0.14 0.08 -0.04 2.03 2.46 2z0iA1 PRO 228 HD2 0.11 0.03 0.24 -0.04 3.68 4.02 2z0iA1 PRO 228 HD3 0.12 0.25 0.33 -0.04 3.65 4.31 2z0iA1 GLY 229 H 0.15 0.10 -0.21 -0.55 8.43 7.93 2z0iA1 GLY 229 HA2 0.15 0.20 0.65 -0.51 4.01 4.51 2z0iA1 GLY 229 HA3 0.11 0.00 0.34 -0.51 4.01 3.95 2z0iA1 ALA 230 H 0.28 0.67 -0.63 -0.55 8.40 8.18 2z0iA1 ALA 230 HA 0.08 0.06 0.62 -0.75 4.34 4.34 2z0iA1 ALA 230 HB3 -0.01 0.01 0.10 -0.04 1.41 1.47 2z0iA1 ARG 231 H 0.14 0.38 -0.56 -0.55 8.46 7.88 2z0iA1 ARG 231 HA 0.20 0.13 0.28 -0.75 4.34 4.20 2z0iA1 ARG 231 HB2 0.11 0.06 0.06 -0.04 1.90 2.09 2z0iA1 ARG 231 HB3 0.08 -0.04 0.07 -0.04 1.80 1.87 2z0iA1 ARG 231 HG2 0.08 -0.01 -0.21 -0.04 1.67 1.48 2z0iA1 ARG 231 HG3 0.10 0.05 0.02 -0.04 1.67 1.80 2z0iA1 ARG 231 HD2 0.06 0.02 0.01 -0.04 3.22 3.26 2z0iA1 ARG 231 HD3 0.05 -0.03 -0.02 -0.04 3.22 3.18 2z0iA1 GLY 232 H 0.06 0.08 -0.26 -0.55 8.43 7.77 2z0iA1 GLY 232 HA2 0.04 0.11 0.39 -0.51 4.01 4.05 2z0iA1 GLY 232 HA3 0.03 0.03 0.29 -0.51 4.01 3.85 2z0iA1 LEU 233 H 0.01 0.08 -0.02 -0.55 8.37 7.89 2z0iA1 LEU 233 HA -0.02 0.01 0.35 -0.75 4.35 3.94 2z0iA1 LEU 233 HB2 -0.07 0.07 0.10 -0.04 1.64 1.70 2z0iA1 LEU 233 HB3 -0.08 0.04 0.03 -0.04 1.64 1.60 2z0iA1 LEU 233 HG -0.01 -0.07 0.08 -0.04 1.64 1.60 2z0iA1 LEU 233 HD13 -0.03 0.01 0.03 -0.04 0.93 0.91 2z0iA1 LEU 233 HD23 -0.01 0.01 0.02 -0.04 0.89 0.86 2z0iA1 ALA 234 H -0.02 0.56 -0.50 -0.55 8.40 7.90 2z0iA1 ALA 234 HA -0.20 0.02 0.35 -0.75 4.34 3.76 2z0iA1 ALA 234 HB3 0.14 0.07 0.02 -0.04 1.41 1.60 2z0iA1 LEU 235 H 0.05 0.47 -0.01 -0.55 8.37 8.33 2z0iA1 LEU 235 HA 0.04 0.05 0.43 -0.75 4.35 4.12 2z0iA1 LEU 235 HB2 0.05 0.05 0.12 -0.04 1.64 1.82 2z0iA1 LEU 235 HB3 0.09 -0.02 0.03 -0.04 1.64 1.69 2z0iA1 LEU 235 HG 0.08 0.23 0.15 -0.04 1.64 2.06 2z0iA1 LEU 235 HD13 0.06 -0.02 -0.01 -0.04 0.93 0.92 2z0iA1 LEU 235 HD23 0.09 -0.01 -0.08 -0.04 0.89 0.85 2z0iA1 ARG 236 H 0.01 0.54 -0.14 -0.55 8.46 8.31 2z0iA1 ARG 236 HA 0.02 0.01 0.31 -0.75 4.34 3.92 2z0iA1 ARG 236 HB2 -0.02 0.06 0.18 -0.04 1.90 2.08 2z0iA1 ARG 236 HB3 -0.00 -0.04 -0.03 -0.04 1.80 1.69 2z0iA1 ARG 236 HG2 0.01 0.23 -0.15 -0.04 1.67 1.72 2z0iA1 ARG 236 HG3 0.00 -0.13 -0.21 -0.04 1.67 1.30 2z0iA1 ARG 236 HD2 0.02 0.03 -0.04 -0.04 3.22 3.19 2z0iA1 ARG 236 HD3 0.02 -0.05 -0.06 -0.04 3.22 3.08 2z0iA1 ALA 237 H -0.04 0.89 -0.05 -0.55 8.40 8.65 2z0iA1 ALA 237 HA -0.03 -0.07 0.43 -0.75 4.34 3.92 2z0iA1 ALA 237 HB3 -0.07 0.03 0.17 -0.04 1.41 1.50 2z0iA1 VAL 238 H -0.05 0.57 -0.05 -0.55 8.24 8.16 2z0iA1 VAL 238 HA -0.09 -0.01 0.45 -0.75 4.13 3.72 2z0iA1 VAL 238 HB -0.08 0.04 0.19 -0.04 2.12 2.23 2z0iA1 VAL 238 HG13 -0.29 0.01 -0.07 -0.04 0.97 0.58 2z0iA1 VAL 238 HG23 -0.03 0.06 0.02 -0.04 0.95 0.96 2z0iA1 ALA 239 H -0.04 0.94 -0.06 -0.55 8.40 8.70 2z0iA1 ALA 239 HA -0.04 0.04 0.41 -0.75 4.34 3.99 2z0iA1 ALA 239 HB3 0.12 -0.01 0.08 -0.04 1.41 1.56 2z0iA1 ARG 240 H -0.03 0.37 -0.86 -0.55 8.46 7.38 2z0iA1 ARG 240 HA 0.00 0.10 0.88 -0.75 4.34 4.57 2z0iA1 ARG 240 HB2 -0.00 0.05 0.05 -0.04 1.90 1.96 2z0iA1 ARG 240 HB3 -0.02 0.17 0.26 -0.04 1.80 2.17 2z0iA1 ARG 240 HG2 -0.00 -0.05 0.06 -0.04 1.67 1.63 2z0iA1 ARG 240 HG3 -0.00 -0.05 -0.00 -0.04 1.67 1.57 2z0iA1 ARG 240 HD2 -0.01 0.04 -0.47 -0.04 3.22 2.74 2z0iA1 ARG 240 HD3 -0.01 -0.15 -0.05 -0.04 3.22 2.97 2z0iA1 ASP 241 H -0.04 0.66 0.27 -0.55 8.40 8.75 2z0iA1 ASP 241 HA -0.01 -0.10 0.52 -0.75 4.63 4.28 2z0iA1 ASP 241 HB2 -0.05 0.15 0.21 -0.04 2.71 2.99 2z0iA1 ASP 241 HB3 -0.02 -0.01 0.06 -0.04 2.70 2.69 2z0iA1 ILE 242 H -0.06 0.56 -0.02 -0.55 8.25 8.19 2z0iA1 ILE 242 HA -0.02 0.12 0.47 -0.75 4.18 3.99 2z0iA1 ILE 242 HB -0.09 0.10 0.10 -0.04 1.89 1.96 2z0iA1 ILE 242 HG12 0.04 -0.06 -0.22 -0.04 1.49 1.21 2z0iA1 ILE 242 HG13 0.02 0.10 0.05 -0.04 1.21 1.35 2z0iA1 ILE 242 HG23 -0.00 0.03 -0.05 -0.04 0.93 0.86 2z0iA1 ILE 242 HD13 0.19 0.00 -0.05 -0.04 0.88 0.98 2z0iA1 GLN 243 H 0.00 0.18 -0.61 -0.55 8.47 7.50 2z0iA1 GLN 243 HA 0.02 0.09 0.46 -0.75 4.36 4.18 2z0iA1 GLN 243 HB2 0.01 0.15 0.10 -0.04 2.15 2.36 2z0iA1 GLN 243 HB3 0.01 -0.09 0.10 -0.04 2.02 2.00 2z0iA1 GLN 243 HG2 0.03 -0.06 0.04 -0.04 2.40 2.36 2z0iA1 GLN 243 HG3 0.03 0.20 0.08 -0.04 2.39 2.66 2z0iA1 GLN 243 HE21 0.02 -0.09 0.03 -0.04 6.97 6.90 2z0iA1 GLN 243 HE22 0.03 -0.03 0.04 -0.04 7.69 7.69 2z0iA1 GLU 244 H -0.00 0.31 -0.43 -0.55 8.60 7.93 2z0iA1 GLU 244 HA 0.00 0.11 0.70 -0.75 4.29 4.35 2z0iA1 GLU 244 HB2 -0.00 0.12 0.09 -0.04 2.09 2.26 2z0iA1 GLU 244 HB3 -0.00 -0.21 0.11 -0.04 1.99 1.85 2z0iA1 GLU 244 HG2 0.00 0.03 -0.02 -0.04 2.34 2.31 2z0iA1 GLU 244 HG3 -0.00 0.46 0.11 -0.04 2.34 2.86 2z0iA1 GLY 245 H 0.00 0.23 -0.34 -0.55 8.43 7.78 2z0iA1 GLY 245 HA2 0.01 0.07 0.18 -0.51 4.01 3.75 2z0iA1 GLY 245 HA3 0.00 0.13 0.83 -0.51 4.01 4.47 2z0iA1 ALA 246 H -0.01 0.19 0.13 -0.55 8.40 8.17 2z0iA1 ALA 246 HA -0.01 -0.00 0.41 -0.75 4.34 3.99 2z0iA1 ALA 246 HB3 -0.02 -0.00 -0.04 -0.04 1.41 1.30 2z0iA1 ASP 247 H -0.01 0.17 0.29 -0.55 8.40 8.31 2z0iA1 ASP 247 HA -0.00 0.08 0.39 -0.75 4.63 4.34 2z0iA1 ASP 247 HB2 -0.01 0.01 0.29 -0.04 2.71 2.96 2z0iA1 ASP 247 HB3 -0.00 0.01 0.18 -0.04 2.70 2.84 2z0iA1 LEU 249 HA -0.03 -0.03 0.21 -0.75 4.35 3.74 2z0iA1 LEU 249 HB2 -0.02 0.05 0.05 -0.04 1.64 1.68 2z0iA1 LEU 249 HB3 -0.04 -0.13 0.12 -0.04 1.64 1.56 2z0iA1 LEU 249 HG -0.04 0.09 -0.08 -0.04 1.64 1.57 2z0iA1 LEU 249 HD13 -0.11 -0.00 -0.02 -0.04 0.93 0.77 2z0iA1 LEU 249 HD23 -0.08 -0.04 0.06 -0.04 0.89 0.79 2z0iA1 VAL 251 HA 0.12 -0.08 0.36 -0.75 4.13 3.77 2z0iA1 VAL 251 HB 0.09 -0.09 0.13 -0.04 2.12 2.22 2z0iA1 VAL 251 HG13 0.17 0.10 0.00 -0.04 0.97 1.20 2z0iA1 VAL 251 HG23 0.09 -0.00 0.04 -0.04 0.95 1.04 2z0iA1 LYS 252 H 0.20 0.60 0.31 -0.55 8.42 8.98 2z0iA1 LYS 252 HA 0.18 -0.03 0.71 -0.75 4.32 4.42 2z0iA1 LYS 252 HB2 0.08 0.11 -0.19 -0.04 1.87 1.82 2z0iA1 LYS 252 HB3 0.17 -0.02 0.05 -0.04 1.79 1.95 2z0iA1 LYS 252 HG2 0.28 -0.03 -0.20 -0.04 1.46 1.47 2z0iA1 LYS 252 HG3 -0.00 -0.08 0.05 -0.04 1.46 1.38 2z0iA1 LYS 252 HD2 -0.28 0.05 -0.09 -0.04 1.69 1.33 2z0iA1 LYS 252 HD3 0.10 0.03 -0.06 -0.04 1.68 1.70 2z0iA1 LYS 252 HE2 -0.16 -0.05 -0.06 -0.04 2.99 2.68 2z0iA1 LYS 252 HE3 -0.65 -0.09 -0.05 -0.04 2.99 2.15 2z0iA1 PRO 253 HA 0.21 0.13 0.45 -0.51 4.44 4.72 2z0iA1 PRO 253 HB2 0.37 0.04 -0.03 -0.04 2.28 2.62 2z0iA1 PRO 253 HB3 0.17 -0.14 0.19 -0.04 2.02 2.20 2z0iA1 PRO 253 HG2 0.25 -0.10 0.06 -0.04 2.03 2.20 2z0iA1 PRO 253 HG3 -0.04 -0.01 0.05 -0.04 2.03 2.00 2z0iA1 PRO 253 HD2 0.24 0.07 0.22 -0.04 3.68 4.18 2z0iA1 PRO 253 HD3 0.31 0.30 0.26 -0.04 3.65 4.47 2z0iA1 GLY 254 H 0.20 -0.11 0.21 -0.55 8.43 8.18 2z0iA1 GLY 254 HA2 0.22 0.39 0.69 -0.51 4.01 4.80 2z0iA1 GLY 254 HA3 0.24 0.00 0.24 -0.51 4.01 3.99 2z0iA1 LEU 255 H 0.45 0.09 0.12 -0.55 8.37 8.49 2z0iA1 LEU 255 HA -0.04 0.13 0.35 -0.75 4.35 4.03 2z0iA1 LEU 255 HB2 0.04 0.01 0.17 -0.04 1.64 1.83 2z0iA1 LEU 255 HB3 -0.04 -0.03 0.11 -0.04 1.64 1.64 2z0iA1 LEU 255 HG -0.14 -0.02 -0.11 -0.04 1.64 1.33 2z0iA1 LEU 255 HD13 -0.37 0.02 0.05 -0.04 0.93 0.59 2z0iA1 LEU 255 HD23 -0.13 0.01 0.01 -0.04 0.89 0.73 2z0iA1 PRO 256 HA -0.22 0.07 0.39 -0.51 4.44 4.17 2z0iA1 PRO 256 HB2 -0.27 0.05 -0.11 -0.04 2.28 1.91 2z0iA1 PRO 256 HB3 -0.17 0.01 0.06 -0.04 2.02 1.89 2z0iA1 PRO 256 HG2 -0.38 -0.07 0.02 -0.04 2.03 1.56 2z0iA1 PRO 256 HG3 -0.42 0.08 0.02 -0.04 2.03 1.67 2z0iA1 PRO 256 HD2 0.05 -0.03 -0.20 -0.04 3.68 3.46 2z0iA1 PRO 256 HD3 -0.07 0.06 0.11 -0.04 3.65 3.71 2z0iA1 TYR 257 H 0.05 0.57 -0.75 -0.55 8.29 7.60 2z0iA1 TYR 257 HA -0.13 0.06 0.76 -0.75 4.56 4.50 2z0iA1 TYR 257 HB2 -0.12 0.23 -0.11 -0.04 3.06 3.01 2z0iA1 TYR 257 HB3 -0.36 -0.01 0.09 -0.04 2.98 2.66 2z0iA1 TYR 257 HD2 -0.30 -0.03 -0.15 -0.04 7.15 6.63 2z0iA1 TYR 257 HE2 -0.08 -0.04 -0.00 -0.04 6.85 6.69 2z0iA1 LEU 258 H -0.02 0.43 -0.10 -0.55 8.37 8.13 2z0iA1 LEU 258 HA 0.11 0.10 0.32 -0.75 4.35 4.12 2z0iA1 LEU 258 HB2 -0.06 0.01 0.16 -0.04 1.64 1.71 2z0iA1 LEU 258 HB3 -0.05 -0.08 0.04 -0.04 1.64 1.51 2z0iA1 LEU 258 HG -0.03 0.04 -0.15 -0.04 1.64 1.47 2z0iA1 LEU 258 HD13 -0.04 0.02 -0.21 -0.04 0.93 0.66 2z0iA1 LEU 258 HD23 -0.17 -0.02 -0.07 -0.04 0.89 0.60 2z0iA1 ASP 259 H -0.01 0.04 -0.31 -0.55 8.40 7.57 2z0iA1 ASP 259 HA 0.01 0.09 0.23 -0.75 4.63 4.20 2z0iA1 ASP 259 HB2 0.01 -0.03 0.09 -0.04 2.71 2.75 2z0iA1 ASP 259 HB3 -0.01 -0.01 0.05 -0.04 2.70 2.69 2z0iA1 VAL 261 HA 0.09 -0.07 0.21 -0.75 4.13 3.61 2z0iA1 VAL 261 HB 0.10 0.12 0.01 -0.04 2.12 2.32 2z0iA1 VAL 261 HG13 0.10 0.02 -0.23 -0.04 0.97 0.82 2z0iA1 VAL 261 HG23 0.16 0.00 0.02 -0.04 0.95 1.09 2z0iA1 ARG 262 H 0.06 0.29 -1.07 -0.55 8.46 7.18 2z0iA1 ARG 262 HA 0.04 0.41 0.63 -0.75 4.34 4.67 2z0iA1 ARG 262 HB2 0.03 0.06 0.11 -0.04 1.90 2.06 2z0iA1 ARG 262 HB3 0.03 0.07 0.20 -0.04 1.80 2.07 2z0iA1 ARG 262 HG2 0.02 -0.07 0.01 -0.04 1.67 1.59 2z0iA1 ARG 262 HG3 0.03 -0.11 -0.16 -0.04 1.67 1.39 2z0iA1 ARG 262 HD2 0.02 -0.10 -0.01 -0.04 3.22 3.09 2z0iA1 ARG 262 HD3 0.03 -0.07 0.09 -0.04 3.22 3.23 2z0iA1 GLU 263 H 0.06 0.35 0.28 -0.55 8.60 8.75 2z0iA1 GLU 263 HA 0.05 0.03 0.46 -0.75 4.29 4.08 2z0iA1 GLU 263 HB2 0.08 0.02 0.11 -0.04 2.09 2.26 2z0iA1 GLU 263 HB3 0.07 -0.04 -0.01 -0.04 1.99 1.97 2z0iA1 GLU 263 HG2 0.04 -0.03 0.06 -0.04 2.34 2.38 2z0iA1 GLU 263 HG3 0.05 0.17 0.14 -0.04 2.34 2.66 2z0iA1 VAL 264 H 0.08 0.19 -0.17 -0.55 8.24 7.79 2z0iA1 VAL 264 HA 0.13 -0.06 0.28 -0.75 4.13 3.73 2z0iA1 VAL 264 HB 0.04 0.04 0.01 -0.04 2.12 2.18 2z0iA1 VAL 264 HG13 0.08 -0.03 -0.02 -0.04 0.97 0.96 2z0iA1 VAL 264 HG23 0.07 0.04 -0.16 -0.04 0.95 0.85 2z0iA1 LYS 265 H 0.07 0.21 -0.91 -0.55 8.42 7.23 2z0iA1 LYS 265 HA 0.06 0.17 0.45 -0.75 4.32 4.24 2z0iA1 LYS 265 HB2 0.05 0.17 0.14 -0.04 1.87 2.20 2z0iA1 LYS 265 HB3 0.04 0.19 0.26 -0.04 1.79 2.24 2z0iA1 LYS 265 HG2 0.03 -0.02 0.07 -0.04 1.46 1.50 2z0iA1 LYS 265 HG3 0.03 -0.12 -0.15 -0.04 1.46 1.18 2z0iA1 LYS 265 HD2 0.04 0.23 0.15 -0.04 1.69 2.07 2z0iA1 LYS 265 HD3 0.03 -0.08 0.12 -0.04 1.68 1.70 2z0iA1 LYS 265 HE2 0.04 -0.19 0.18 -0.04 2.99 2.97 2z0iA1 LYS 265 HE3 0.05 0.02 0.12 -0.04 2.99 3.14 2z0iA1 ASP 266 H 0.05 0.46 0.16 -0.55 8.40 8.52 2z0iA1 ASP 266 HA 0.02 0.02 0.44 -0.75 4.63 4.36 2z0iA1 ASP 266 HB2 0.03 -0.01 0.18 -0.04 2.71 2.87 2z0iA1 ASP 266 HB3 0.01 -0.11 0.04 -0.04 2.70 2.61 2z0iA1 LYS 267 H 0.07 0.79 -0.09 -0.55 8.42 8.64 2z0iA1 LYS 267 HA -0.07 -0.05 0.43 -0.75 4.32 3.88 2z0iA1 LYS 267 HB2 0.32 0.06 0.00 -0.04 1.87 2.22 2z0iA1 LYS 267 HB3 0.04 -0.08 -0.03 -0.04 1.79 1.68 2z0iA1 LYS 267 HG2 0.07 0.25 -0.07 -0.04 1.46 1.68 2z0iA1 LYS 267 HG3 0.11 -0.12 -0.14 -0.04 1.46 1.28 2z0iA1 LYS 267 HD2 0.00 0.04 -0.06 -0.04 1.69 1.63 2z0iA1 LYS 267 HD3 0.04 -0.08 -0.04 -0.04 1.68 1.56 2z0iA1 LYS 267 HE2 0.07 -0.05 -0.03 -0.04 2.99 2.93 2z0iA1 LYS 267 HE3 -0.01 0.06 -0.00 -0.04 2.99 3.00 2z0iA1 HIS 268 H 0.18 0.44 -0.41 -0.55 8.41 8.08 2z0iA1 HIS 268 HA 0.01 0.08 0.83 -0.75 4.63 4.80 2z0iA1 HIS 268 HB2 0.01 0.16 0.19 -0.04 3.26 3.59 2z0iA1 HIS 268 HB3 0.01 -0.07 0.08 -0.04 3.20 3.18 2z0iA1 HIS 268 HD2 0.01 -0.02 -0.04 -0.04 6.97 6.88 2z0iA1 HIS 268 HE1 0.02 -0.08 -0.08 -0.04 7.75 7.56 2z0iA1 PRO 269 HA 0.04 0.19 0.65 -0.51 4.44 4.81 2z0iA1 PRO 269 HB2 0.02 -0.09 0.07 -0.04 2.28 2.24 2z0iA1 PRO 269 HB3 0.02 0.13 0.13 -0.04 2.02 2.25 2z0iA1 PRO 269 HG2 0.01 -0.08 -0.01 -0.04 2.03 1.90 2z0iA1 PRO 269 HG3 -0.00 -0.03 0.05 -0.04 2.03 2.00 2z0iA1 PRO 269 HD2 -0.02 0.03 0.00 -0.04 3.68 3.65 2z0iA1 PRO 269 HD3 -0.00 0.33 -0.35 -0.04 3.65 3.58 2z0iA1 GLU 270 H 0.04 0.06 -0.30 -0.55 8.60 7.87 2z0iA1 GLU 270 HA 0.02 0.08 0.49 -0.75 4.29 4.13 2z0iA1 GLU 270 HB2 0.04 0.02 -0.01 -0.04 2.09 2.10 2z0iA1 GLU 270 HB3 0.02 -0.03 0.13 -0.04 1.99 2.07 2z0iA1 GLU 270 HG2 0.01 -0.02 -0.01 -0.04 2.34 2.28 2z0iA1 GLU 270 HG3 0.01 0.00 0.02 -0.04 2.34 2.33 2z0iA1 LEU 271 H 0.05 0.31 -0.53 -0.55 8.37 7.65 2z0iA1 LEU 271 HA 0.02 0.20 0.94 -0.75 4.35 4.75 2z0iA1 LEU 271 HB2 0.04 0.04 -0.04 -0.04 1.64 1.64 2z0iA1 LEU 271 HB3 0.01 0.19 -0.18 -0.04 1.64 1.62 2z0iA1 LEU 271 HG 0.06 -0.19 -0.31 -0.04 1.64 1.16 2z0iA1 LEU 271 HD13 0.01 -0.01 -0.07 -0.04 0.93 0.82 2z0iA1 LEU 271 HD23 0.02 0.05 -0.01 -0.04 0.89 0.91 2z0iA1 PRO 272 HA 0.01 -0.03 0.52 -0.51 4.44 4.42 2z0iA1 PRO 272 HB2 -0.01 0.07 0.11 -0.04 2.28 2.40 2z0iA1 PRO 272 HB3 -0.01 -0.04 0.03 -0.04 2.02 1.96 2z0iA1 PRO 272 HG2 -0.00 0.03 0.10 -0.04 2.03 2.12 2z0iA1 PRO 272 HG3 0.00 -0.04 0.05 -0.04 2.03 2.00 2z0iA1 PRO 272 HD2 0.00 0.31 0.33 -0.04 3.68 4.28 2z0iA1 PRO 272 HD3 0.01 0.10 0.25 -0.04 3.65 3.97 2z0iA1 LEU 273 H 0.01 0.09 0.31 -0.55 8.37 8.24 2z0iA1 LEU 273 HA -0.00 0.28 0.88 -0.75 4.35 4.75 2z0iA1 LEU 273 HB2 0.03 0.13 0.04 -0.04 1.64 1.80 2z0iA1 LEU 273 HB3 0.02 -0.02 0.17 -0.04 1.64 1.76 2z0iA1 LEU 273 HG 0.04 0.05 -0.15 -0.04 1.64 1.53 2z0iA1 LEU 273 HD13 0.03 -0.00 -0.43 -0.04 0.93 0.49 2z0iA1 LEU 273 HD23 0.01 -0.01 -0.08 -0.04 0.89 0.78 2z0iA1 ALA 274 H -0.03 0.54 0.22 -0.55 8.40 8.59 2z0iA1 ALA 274 HA -0.05 0.11 1.05 -0.75 4.34 4.69 2z0iA1 ALA 274 HB3 -0.08 0.01 -0.10 -0.04 1.41 1.20 2z0iA1 VAL 275 H -0.12 0.61 0.33 -0.55 8.24 8.51 2z0iA1 VAL 275 HA -0.03 0.44 1.08 -0.75 4.13 4.87 2z0iA1 VAL 275 HB -0.01 0.08 -0.04 -0.04 2.12 2.11 2z0iA1 VAL 275 HG13 -0.48 -0.01 0.03 -0.04 0.97 0.47 2z0iA1 VAL 275 HG23 -0.03 -0.01 -0.10 -0.04 0.95 0.77 2z0iA1 TYR 276 H 0.06 0.82 0.26 -0.55 8.29 8.88 2z0iA1 TYR 276 HA -0.18 0.16 1.02 -0.75 4.56 4.81 2z0iA1 TYR 276 HB2 -0.13 0.12 -0.08 -0.04 3.06 2.93 2z0iA1 TYR 276 HB3 -0.01 -0.10 0.16 -0.04 2.98 2.99 2z0iA1 TYR 276 HD2 -0.09 -0.06 -0.53 -0.04 7.15 6.42 2z0iA1 TYR 276 HE2 0.04 -0.04 -0.19 -0.04 6.85 6.62 2z0iA1 GLN 277 H -0.26 0.81 0.26 -0.55 8.47 8.73 2z0iA1 GLN 277 HA 0.13 -0.13 0.72 -0.75 4.36 4.32 2z0iA1 GLN 277 HB2 -0.10 0.04 0.09 -0.04 2.15 2.13 2z0iA1 GLN 277 HB3 -0.03 -0.01 0.34 -0.04 2.02 2.28 2z0iA1 GLN 277 HG2 0.28 0.05 -0.01 -0.04 2.40 2.67 2z0iA1 GLN 277 HG3 0.30 -0.09 0.06 -0.04 2.39 2.62 2z0iA1 GLN 277 HE21 0.91 0.03 -0.01 -0.04 6.97 7.86 2z0iA1 GLN 277 HE22 0.53 -0.05 -0.02 -0.04 7.69 8.11 2z0iA1 VAL 278 H 0.25 0.14 0.26 -0.55 8.24 8.34 2z0iA1 VAL 278 HA 0.36 0.15 0.29 -0.75 4.13 4.18 2z0iA1 VAL 278 HB 0.21 0.08 0.22 -0.04 2.12 2.60 2z0iA1 VAL 278 HG13 0.17 0.06 0.12 -0.04 0.97 1.27 2z0iA1 VAL 278 HG23 0.13 -0.13 0.09 -0.04 0.95 1.01 2z0iA1 SER 279 H 0.37 0.18 0.22 -0.55 8.46 8.68 2z0iA1 SER 279 HA 0.44 0.15 0.45 -0.75 4.49 4.78 2z0iA1 SER 279 HB2 0.26 -0.08 0.02 -0.04 3.95 4.10 2z0iA1 SER 279 HB3 0.11 0.03 -0.05 -0.04 3.93 3.98 2z0iA1 GLY 280 H 0.27 0.54 0.02 -0.55 8.43 8.72 2z0iA1 GLY 280 HA2 0.31 0.05 0.42 -0.51 4.01 4.27 2z0iA1 GLY 280 HA3 0.41 -0.05 0.37 -0.51 4.01 4.23 2z0iA1 GLU 281 H 0.12 0.10 -0.30 -0.55 8.60 7.97 2z0iA1 GLU 281 HA -0.03 0.06 0.40 -0.75 4.29 3.96 2z0iA1 GLU 281 HB2 0.22 0.22 -0.01 -0.04 2.09 2.48 2z0iA1 GLU 281 HB3 0.16 0.04 0.05 -0.04 1.99 2.20 2z0iA1 GLU 281 HG2 -0.15 0.04 0.07 -0.04 2.34 2.26 2z0iA1 GLU 281 HG3 -0.04 -0.11 0.09 -0.04 2.34 2.23 2z0iA1 PHE 282 H 0.42 0.24 -0.31 -0.55 8.34 8.14 2z0iA1 PHE 282 HA 0.46 0.00 0.44 -0.75 4.62 4.78 2z0iA1 PHE 282 HB2 0.24 -0.01 0.14 -0.04 3.15 3.48 2z0iA1 PHE 282 HB3 0.15 0.15 0.21 -0.04 3.06 3.53 2z0iA1 PHE 282 HD2 -0.24 -0.05 -0.20 -0.04 7.28 6.75 2z0iA1 PHE 282 HE2 -0.51 0.04 -0.15 -0.04 7.38 6.71 2z0iA1 PHE 282 HZ -0.05 0.18 -0.04 -0.04 7.32 7.38 2z0iA1 ALA 283 H 0.39 0.51 -0.05 -0.55 8.40 8.70 2z0iA1 ALA 283 HA 0.27 0.02 0.34 -0.75 4.34 4.22 2z0iA1 ALA 283 HB3 0.36 0.03 0.18 -0.04 1.41 1.94 2z0iA1 LEU 285 HA 0.35 -0.11 0.33 -0.75 4.35 4.17 2z0iA1 LEU 285 HB2 0.27 0.11 0.12 -0.04 1.64 2.11 2z0iA1 LEU 285 HB3 -0.01 -0.09 -0.04 -0.04 1.64 1.46 2z0iA1 LEU 285 HG 0.11 0.13 0.14 -0.04 1.64 1.98 2z0iA1 LEU 285 HD13 0.11 -0.03 -0.03 -0.04 0.93 0.94 2z0iA1 LEU 285 HD23 -0.16 -0.03 -0.06 -0.04 0.89 0.60 2z0iA1 TRP 286 H 0.33 0.74 -0.51 -0.55 7.97 7.98 2z0iA1 TRP 286 HA 0.03 -0.03 0.51 -0.75 4.62 4.37 2z0iA1 TRP 286 HB2 -0.12 0.06 0.13 -0.04 3.23 3.27 2z0iA1 TRP 286 HB3 -0.19 0.03 0.24 -0.04 3.23 3.27 2z0iA1 TRP 286 HD1 -0.14 -0.02 -0.32 -0.04 7.22 6.70 2z0iA1 TRP 286 HE1 0.07 -0.03 -0.02 -0.04 10.20 10.18 2z0iA1 TRP 286 HE3 0.09 -0.01 0.02 -0.04 7.59 7.65 2z0iA1 TRP 286 HZ2 0.10 -0.04 -0.03 -0.04 7.44 7.44 2z0iA1 TRP 286 HZ3 0.30 -0.02 0.01 -0.04 7.13 7.38 2z0iA1 TRP 286 HH2 0.15 -0.03 -0.07 -0.04 7.19 7.20 2z0iA1 HIS 287 H 0.16 0.75 0.31 -0.55 8.41 9.08 2z0iA1 HIS 287 HA 0.29 0.01 0.45 -0.75 4.63 4.62 2z0iA1 HIS 287 HB2 0.18 0.07 0.11 -0.04 3.26 3.57 2z0iA1 HIS 287 HB3 0.14 -0.05 0.05 -0.04 3.20 3.29 2z0iA1 HIS 287 HD2 0.25 -0.03 0.05 -0.04 6.97 7.20 2z0iA1 HIS 287 HE1 0.08 0.05 0.12 -0.04 7.75 7.95 2z0iA1 GLY 288 H 0.18 0.26 -0.37 -0.55 8.43 7.96 2z0iA1 GLY 288 HA2 -0.08 0.04 0.36 -0.51 4.01 3.82 2z0iA1 GLY 288 HA3 -0.09 0.09 0.19 -0.51 4.01 3.70 2z0iA1 ALA 289 H -0.20 0.66 -0.07 -0.55 8.40 8.24 2z0iA1 ALA 289 HA -0.71 -0.12 0.54 -0.75 4.34 3.29 2z0iA1 ALA 289 HB3 -0.07 -0.01 0.15 -0.04 1.41 1.44 2z0iA1 GLN 290 H -0.12 0.65 -0.17 -0.55 8.47 8.28 2z0iA1 GLN 290 HA -0.13 -0.02 0.44 -0.75 4.36 3.90 2z0iA1 GLN 290 HB2 0.04 0.10 0.09 -0.04 2.15 2.33 2z0iA1 GLN 290 HB3 0.15 0.12 0.17 -0.04 2.02 2.42 2z0iA1 GLN 290 HG2 0.29 -0.04 0.01 -0.04 2.40 2.62 2z0iA1 GLN 290 HG3 0.10 -0.01 -0.04 -0.04 2.39 2.39 2z0iA1 GLN 290 HE21 0.04 -0.03 0.06 -0.04 6.97 7.00 2z0iA1 GLN 290 HE22 0.05 -0.00 0.09 -0.04 7.69 7.79 2z0iA1 ALA 291 H -0.11 0.38 -0.49 -0.55 8.40 7.64 2z0iA1 ALA 291 HA -0.03 0.09 0.63 -0.75 4.34 4.28 2z0iA1 ALA 291 HB3 -0.05 0.01 0.14 -0.04 1.41 1.47 2z0iA1 GLY 292 H -0.15 0.56 -0.58 -0.55 8.43 7.72 2z0iA1 GLY 292 HA2 -0.12 0.03 0.31 -0.51 4.01 3.72 2z0iA1 GLY 292 HA3 -0.08 0.01 0.38 -0.51 4.01 3.81 2z0iA1 ALA 293 H -0.32 0.34 -0.19 -0.55 8.40 7.68 2z0iA1 ALA 293 HA -0.12 0.06 0.44 -0.75 4.34 3.97 2z0iA1 ALA 293 HB3 -0.40 -0.01 -0.03 -0.04 1.41 0.92 2z0iA1 PHE 294 H -0.46 0.23 -0.09 -0.55 8.34 7.46 2z0iA1 PHE 294 HA -0.07 0.09 0.31 -0.75 4.62 4.19 2z0iA1 PHE 294 HB2 -0.10 -0.06 0.01 -0.04 3.15 2.97 2z0iA1 PHE 294 HB3 -0.07 0.22 0.00 -0.04 3.06 3.17 2z0iA1 PHE 294 HD2 -0.09 0.03 -0.55 -0.04 7.28 6.62 2z0iA1 PHE 294 HE2 -0.06 0.08 -0.07 -0.04 7.38 7.29 2z0iA1 PHE 294 HZ -0.02 0.04 -0.01 -0.04 7.32 7.29 2z0iA1 ASP 295 H 0.08 0.17 0.08 -0.55 8.40 8.18 2z0iA1 ASP 295 HA -0.04 0.13 0.60 -0.75 4.63 4.56 2z0iA1 ASP 295 HB2 -0.06 0.10 0.11 -0.04 2.71 2.82 2z0iA1 ASP 295 HB3 -0.10 -0.04 0.16 -0.04 2.70 2.68 2z0iA1 LEU 296 H -0.09 0.23 0.21 -0.55 8.37 8.18 2z0iA1 LEU 296 HA -0.03 0.13 0.33 -0.75 4.35 4.03 2z0iA1 LEU 296 HB2 -0.21 0.09 0.15 -0.04 1.64 1.63 2z0iA1 LEU 296 HB3 -0.17 -0.07 0.14 -0.04 1.64 1.50 2z0iA1 LEU 296 HG -0.19 -0.02 -0.21 -0.04 1.64 1.18 2z0iA1 LEU 296 HD13 -0.17 0.02 -0.09 -0.04 0.93 0.65 2z0iA1 LEU 296 HD23 -0.29 0.02 -0.01 -0.04 0.89 0.57 2z0iA1 ARG 297 H -0.33 0.09 -0.11 -0.55 8.46 7.56 2z0iA1 ARG 297 HA -1.53 0.10 0.34 -0.75 4.34 2.49 2z0iA1 ARG 297 HB2 -0.75 0.04 0.09 -0.04 1.90 1.24 2z0iA1 ARG 297 HB3 -0.47 -0.11 0.09 -0.04 1.80 1.27 2z0iA1 ARG 297 HG2 -0.72 0.04 -0.31 -0.04 1.67 0.63 2z0iA1 ARG 297 HG3 -1.96 0.04 -0.03 -0.04 1.67 -0.32 2z0iA1 ARG 297 HD2 -0.40 0.01 -0.00 -0.04 3.22 2.79 2z0iA1 ARG 297 HD3 -0.32 -0.06 -0.02 -0.04 3.22 2.78 2z0iA1 THR 298 H -0.33 0.03 -0.15 -0.55 8.28 7.29 2z0iA1 THR 298 HA -0.29 0.09 0.33 -0.75 4.39 3.76 2z0iA1 ALA 299 H -0.30 0.54 -0.36 -0.55 8.40 7.73 2z0iA1 ALA 299 HA -0.42 0.01 0.40 -0.75 4.34 3.57 2z0iA1 ALA 299 HB3 -0.54 0.01 0.02 -0.04 1.41 0.85 2z0iA1 VAL 300 H -0.43 0.76 0.10 -0.55 8.24 8.12 2z0iA1 VAL 300 HA -0.25 -0.02 0.44 -0.75 4.13 3.55 2z0iA1 VAL 300 HB -0.53 0.08 0.12 -0.04 2.12 1.74 2z0iA1 VAL 300 HG13 -0.02 -0.02 -0.09 -0.04 0.97 0.80 2z0iA1 VAL 300 HG23 -0.84 0.06 0.03 -0.04 0.95 0.15 2z0iA1 LEU 301 H -0.37 0.68 -0.10 -0.55 8.37 8.04 2z0iA1 LEU 301 HA -0.09 0.04 0.39 -0.75 4.35 3.93 2z0iA1 LEU 301 HB2 -0.25 0.01 0.05 -0.04 1.64 1.40 2z0iA1 LEU 301 HB3 -0.15 0.02 0.01 -0.04 1.64 1.48 2z0iA1 LEU 301 HG -0.50 0.05 -0.04 -0.04 1.64 1.11 2z0iA1 LEU 301 HD13 -0.26 -0.03 -0.12 -0.04 0.93 0.47 2z0iA1 LEU 301 HD23 -0.01 0.00 -0.05 -0.04 0.89 0.79 2z0iA1 GLU 302 H -0.23 0.30 -0.44 -0.55 8.60 7.68 2z0iA1 GLU 302 HA -0.15 0.08 0.54 -0.75 4.29 4.01 2z0iA1 GLU 302 HB2 -0.20 0.08 0.13 -0.04 2.09 2.05 2z0iA1 GLU 302 HB3 -0.24 0.07 0.12 -0.04 1.99 1.90 2z0iA1 GLU 302 HG2 -0.18 -0.03 -0.11 -0.04 2.34 1.98 2z0iA1 GLU 302 HG3 -0.15 -0.00 0.04 -0.04 2.34 2.18 2z0iA1 THR 303 H -0.17 0.38 -0.16 -0.55 8.28 7.78 2z0iA1 THR 303 HA -0.32 0.00 0.36 -0.75 4.39 3.68 2z0iA1 THR 303 HB -0.18 -0.14 0.14 -0.04 4.32 4.10 2z0iA1 THR 303 HG23 -0.16 0.06 0.05 -0.04 1.22 1.14 2z0iA1 THR 305 HA -0.02 -0.02 0.31 -0.75 4.39 3.90 2z0iA1 THR 305 HB -0.11 0.12 0.05 -0.04 4.32 4.34 2z0iA1 THR 305 HG23 -0.07 -0.02 -0.04 -0.04 1.22 1.05 2z0iA1 ALA 306 H -0.19 0.40 -1.50 -0.55 8.40 6.56 2z0iA1 ALA 306 HA -0.14 0.01 0.41 -0.75 4.34 3.87 2z0iA1 ALA 306 HB3 -0.38 0.01 0.11 -0.04 1.41 1.11 2z0iA1 PHE 307 H -0.30 0.64 0.24 -0.55 8.34 8.36 2z0iA1 PHE 307 HA -0.00 0.04 0.35 -0.75 4.62 4.25 2z0iA1 PHE 307 HB2 -0.00 0.01 -0.05 -0.04 3.15 3.07 2z0iA1 PHE 307 HB3 0.00 0.04 -0.07 -0.04 3.06 2.99 2z0iA1 PHE 307 HD2 0.01 0.07 -0.08 -0.04 7.28 7.25 2z0iA1 PHE 307 HE2 0.03 -0.12 -0.09 -0.04 7.38 7.16 2z0iA1 PHE 307 HZ 0.03 -0.22 0.07 -0.04 7.32 7.15 2z0iA1 ARG 308 H 0.11 0.12 -0.33 -0.55 8.46 7.81 2z0iA1 ARG 308 HA 0.07 0.23 0.39 -0.75 4.34 4.27 2z0iA1 ARG 308 HB2 0.02 0.10 0.12 -0.04 1.90 2.10 2z0iA1 ARG 308 HB3 0.02 0.02 0.07 -0.04 1.80 1.88 2z0iA1 ARG 308 HG2 0.08 -0.04 -0.09 -0.04 1.67 1.58 2z0iA1 ARG 308 HG3 0.04 0.08 -0.13 -0.04 1.67 1.63 2z0iA1 ARG 308 HD2 0.03 -0.14 -0.05 -0.04 3.22 3.02 2z0iA1 ARG 308 HD3 0.02 -0.24 -0.20 -0.04 3.22 2.76 2z0iA1 ARG 309 H -0.00 0.69 -0.02 -0.55 8.46 8.57 2z0iA1 ARG 309 HA -0.00 0.10 0.37 -0.75 4.34 4.06 2z0iA1 ARG 309 HB2 -0.03 0.01 0.10 -0.04 1.90 1.93 2z0iA1 ARG 309 HB3 -0.04 0.08 0.16 -0.04 1.80 1.95 2z0iA1 ARG 309 HG2 -0.03 -0.03 -0.17 -0.04 1.67 1.40 2z0iA1 ARG 309 HG3 -0.02 -0.01 0.06 -0.04 1.67 1.65 2z0iA1 ARG 309 HD2 -0.05 -0.11 -0.04 -0.04 3.22 2.98 2z0iA1 ARG 309 HD3 -0.05 0.01 -0.03 -0.04 3.22 3.11 2z0iA1 ALA 310 H 0.03 0.26 -0.74 -0.55 8.40 7.40 2z0iA1 ALA 310 HA 0.02 -0.05 0.46 -0.75 4.34 4.01 2z0iA1 ALA 310 HB3 0.06 0.01 0.04 -0.04 1.41 1.47 2z0iA1 GLY 311 H 0.04 0.63 -0.33 -0.55 8.43 8.22 2z0iA1 GLY 311 HA2 0.03 -0.01 0.26 -0.51 4.01 3.78 2z0iA1 GLY 311 HA3 0.04 0.10 0.77 -0.51 4.01 4.41 2z0iA1 ALA 312 H 0.08 0.50 0.03 -0.55 8.40 8.46 2z0iA1 ALA 312 HA 0.03 0.06 0.40 -0.75 4.34 4.08 2z0iA1 ALA 312 HB3 0.08 -0.03 -0.11 -0.04 1.41 1.30 2z0iA1 ASP 313 H 0.01 0.53 0.43 -0.55 8.40 8.82 2z0iA1 ASP 313 HA 0.01 0.02 0.60 -0.75 4.63 4.51 2z0iA1 ASP 313 HB2 -0.00 0.07 0.15 -0.04 2.71 2.89 2z0iA1 ASP 313 HB3 0.00 -0.09 0.08 -0.04 2.70 2.65 2z0iA1 ILE 314 H -0.02 0.48 0.27 -0.55 8.25 8.43 2z0iA1 ILE 314 HA -0.04 0.22 0.96 -0.75 4.18 4.57 2z0iA1 ILE 314 HB -0.06 -0.08 -0.04 -0.04 1.89 1.67 2z0iA1 ILE 314 HG12 -0.03 0.07 -0.22 -0.04 1.49 1.26 2z0iA1 ILE 314 HG13 -0.02 -0.10 -0.49 -0.04 1.21 0.55 2z0iA1 ILE 314 HG23 -0.07 0.00 -0.21 -0.04 0.93 0.61 2z0iA1 ILE 314 HD13 -0.04 0.01 -0.24 -0.04 0.88 0.58 2z0iA1 ILE 315 H -0.07 1.15 0.34 -0.55 8.25 9.11 2z0iA1 ILE 315 HA -0.21 0.21 1.07 -0.75 4.18 4.49 2z0iA1 ILE 315 HB -0.05 -0.04 -0.03 -0.04 1.89 1.73 2z0iA1 ILE 315 HG12 -0.02 0.06 -0.38 -0.04 1.49 1.12 2z0iA1 ILE 315 HG13 0.04 -0.05 -0.22 -0.04 1.21 0.94 2z0iA1 ILE 315 HG23 -0.21 -0.04 -0.18 -0.04 0.93 0.46 2z0iA1 ILE 315 HD13 -0.05 0.08 -0.34 -0.04 0.88 0.54 2z0iA1 ILE 316 H -0.30 0.76 0.32 -0.55 8.25 8.48 2z0iA1 ILE 316 HA -0.28 0.27 1.06 -0.75 4.18 4.48 2z0iA1 ILE 316 HB -0.64 -0.12 0.23 -0.04 1.89 1.32 2z0iA1 ILE 316 HG12 -0.22 0.04 -0.20 -0.04 1.49 1.06 2z0iA1 ILE 316 HG13 -0.21 0.03 -0.34 -0.04 1.21 0.66 2z0iA1 ILE 316 HG23 -0.85 0.01 -0.12 -0.04 0.93 -0.07 2z0iA1 ILE 316 HD13 -0.13 0.00 -0.25 -0.04 0.88 0.46 2z0iA1 THR 317 H -0.16 0.31 0.15 -0.55 8.28 8.03 2z0iA1 THR 317 HA -0.32 0.26 1.00 -0.75 4.39 4.58 2z0iA1 THR 317 HB 0.01 0.07 -0.10 -0.04 4.32 4.26 2z0iA1 THR 317 HG23 0.13 0.01 -0.17 -0.04 1.22 1.14 2z0iA1 TYR 318 H 0.01 0.23 0.20 -0.55 8.29 8.18 2z0iA1 TYR 318 HA 0.24 0.22 0.68 -0.75 4.56 4.95 2z0iA1 TYR 318 HB2 -0.03 -0.01 0.07 -0.04 3.06 3.05 2z0iA1 TYR 318 HB3 -0.11 0.04 0.14 -0.04 2.98 3.01 2z0iA1 TYR 318 HD2 -0.07 0.07 0.05 -0.04 7.15 7.16 2z0iA1 TYR 318 HE2 0.11 -0.06 -0.13 -0.04 6.85 6.74 2z0iA1 PHE 319 H 0.34 0.06 -0.25 -0.55 8.34 7.94 2z0iA1 PHE 319 HA 0.31 0.16 0.59 -0.75 4.62 4.93 2z0iA1 PHE 319 HB2 0.24 0.04 -0.01 -0.04 3.15 3.38 2z0iA1 PHE 319 HB3 0.33 -0.02 0.09 -0.04 3.06 3.42 2z0iA1 PHE 319 HD2 0.25 -0.01 0.01 -0.04 7.28 7.49 2z0iA1 PHE 319 HE2 0.01 0.05 -0.01 -0.04 7.38 7.39 2z0iA1 PHE 319 HZ -0.55 0.11 0.03 -0.04 7.32 6.87 2z0iA1 ALA 320 H 0.21 0.24 -0.65 -0.55 8.40 7.65 2z0iA1 ALA 320 HA 0.06 0.04 0.26 -0.75 4.34 3.95 2z0iA1 ALA 320 HB3 0.02 0.06 -0.03 -0.04 1.41 1.42 2z0iA1 PRO 321 HA -0.26 0.10 0.35 -0.51 4.44 4.12 2z0iA1 PRO 321 HB2 -0.18 -0.02 -0.00 -0.04 2.28 2.03 2z0iA1 PRO 321 HB3 -0.27 0.06 -0.00 -0.04 2.02 1.76 2z0iA1 PRO 321 HG2 -0.71 0.10 0.02 -0.04 2.03 1.40 2z0iA1 PRO 321 HG3 -1.09 0.05 0.00 -0.04 2.03 0.94 2z0iA1 PRO 321 HD2 -0.11 0.23 -0.14 -0.04 3.68 3.62 2z0iA1 PRO 321 HD3 -0.59 0.07 0.00 -0.04 3.65 3.09 2z0iA1 GLN 322 H -0.16 0.15 -0.28 -0.55 8.47 7.63 2z0iA1 GLN 322 HA -0.62 0.07 0.43 -0.75 4.36 3.49 2z0iA1 GLN 322 HB2 -0.55 0.08 0.07 -0.04 2.15 1.70 2z0iA1 GLN 322 HB3 -1.92 -0.05 0.01 -0.04 2.02 0.02 2z0iA1 GLN 322 HG2 -0.19 0.01 -0.01 -0.04 2.40 2.17 2z0iA1 GLN 322 HG3 0.00 0.01 0.02 -0.04 2.39 2.38 2z0iA1 GLN 322 HE21 0.87 0.00 -0.01 -0.04 6.97 7.80 2z0iA1 GLN 322 HE22 0.52 0.06 0.01 -0.04 7.69 8.23 2z0iA1 LEU 323 H -0.15 0.70 -0.12 -0.55 8.37 8.26 2z0iA1 LEU 323 HA 0.41 -0.04 0.37 -0.75 4.35 4.33 2z0iA1 LEU 323 HB2 0.06 0.12 0.10 -0.04 1.64 1.88 2z0iA1 LEU 323 HB3 0.15 0.00 -0.11 -0.04 1.64 1.64 2z0iA1 LEU 323 HG 0.34 0.18 -0.10 -0.04 1.64 2.03 2z0iA1 LEU 323 HD13 0.18 -0.03 -0.25 -0.04 0.93 0.80 2z0iA1 LEU 323 HD23 0.45 -0.01 -0.12 -0.04 0.89 1.16 2z0iA1 LEU 324 H -0.11 0.66 -0.16 -0.55 8.37 8.21 2z0iA1 LEU 324 HA -0.03 -0.02 0.26 -0.75 4.35 3.80 2z0iA1 LEU 324 HB2 -0.14 0.14 0.03 -0.04 1.64 1.63 2z0iA1 LEU 324 HB3 -0.08 0.12 -0.09 -0.04 1.64 1.55 2z0iA1 LEU 324 HG -0.09 0.30 -0.03 -0.04 1.64 1.78 2z0iA1 LEU 324 HD13 -0.13 -0.03 -0.14 -0.04 0.93 0.59 2z0iA1 LEU 324 HD23 -0.04 -0.02 -0.23 -0.04 0.89 0.55 2z0iA1 LYS 325 H -0.27 0.22 -0.70 -0.55 8.42 7.11 2z0iA1 LYS 325 HA -0.09 0.16 0.65 -0.75 4.32 4.29 2z0iA1 LYS 325 HB2 -0.23 0.02 0.08 -0.04 1.87 1.70 2z0iA1 LYS 325 HB3 -0.49 0.09 0.17 -0.04 1.79 1.52 2z0iA1 LYS 325 HG2 -0.09 -0.03 -0.16 -0.04 1.46 1.14 2z0iA1 LYS 325 HG3 -0.08 0.01 0.05 -0.04 1.46 1.39 2z0iA1 LYS 325 HD2 -0.06 -0.06 -0.02 -0.04 1.69 1.52 2z0iA1 LYS 325 HD3 -0.13 0.01 -0.01 -0.04 1.68 1.51 2z0iA1 LYS 325 HE2 -0.12 -0.06 -0.01 -0.04 2.99 2.75 2z0iA1 LYS 325 HE3 -0.44 0.06 0.03 -0.04 2.99 2.59 2z0iA1 TRP 326 H -0.23 0.54 0.15 -0.55 7.97 7.89 2z0iA1 TRP 326 HA -0.02 -0.03 0.41 -0.75 4.62 4.23 2z0iA1 TRP 326 HB2 -0.02 0.07 0.16 -0.04 3.23 3.39 2z0iA1 TRP 326 HB3 -0.03 -0.05 -0.01 -0.04 3.23 3.10 2z0iA1 TRP 326 HD1 -0.03 0.01 -0.00 -0.04 7.22 7.16 2z0iA1 TRP 326 HE1 -0.04 -0.06 -0.01 -0.04 10.20 10.05 2z0iA1 TRP 326 HE3 -0.03 0.06 -0.13 -0.04 7.59 7.45 2z0iA1 TRP 326 HZ2 -0.07 -0.05 -0.05 -0.04 7.44 7.23 2z0iA1 TRP 326 HZ3 -0.09 0.01 -0.09 -0.04 7.13 6.91 2z0iA1 TRP 326 HH2 -0.16 -0.01 -0.08 -0.04 7.19 6.89 2z0iA1 LEU 327 H 0.16 0.70 -0.09 -0.55 8.37 8.60 2z0iA1 LEU 327 HA 0.08 0.01 0.37 -0.75 4.35 4.06 2z0iA1 LEU 327 HB2 0.05 0.12 -0.04 -0.04 1.64 1.73 2z0iA1 LEU 327 HB3 0.04 -0.07 0.03 -0.04 1.64 1.60 2z0iA1 LEU 327 HG 0.06 0.07 0.02 -0.04 1.64 1.76 2z0iA1 LEU 327 HD13 0.16 0.03 -0.08 -0.04 0.93 1.00 2z0iA1 LEU 327 HD23 0.04 -0.03 -0.20 -0.04 0.89 0.66 2z0iA1 LYS 328 H 0.05 0.26 -1.06 -0.55 8.42 7.13 2z0iA1 LYS 328 HA 0.02 0.11 0.19 -0.75 4.32 3.88 2z0iA1 LYS 328 HB2 0.03 0.18 0.08 -0.04 1.87 2.12 2z0iA1 LYS 328 HB3 0.02 -0.13 0.08 -0.04 1.79 1.72 2z0iA1 LYS 328 HG2 0.05 -0.03 -0.00 -0.04 1.46 1.44 2z0iA1 LYS 328 HG3 0.07 0.38 -0.28 -0.04 1.46 1.59 2z0iA1 LYS 328 HD2 0.02 -0.00 -0.04 -0.04 1.69 1.63 2z0iA1 LYS 328 HD3 0.02 -0.10 -0.00 -0.04 1.68 1.56 2z0iA1 LYS 328 HE2 0.05 -0.05 0.01 -0.04 2.99 2.96 2z0iA1 LYS 328 HE3 0.04 0.09 0.01 -0.04 2.99 3.09