============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 11 0.840 43.744 71.180 26.392 -99.200 -91.000 PHE 16 1.000 50.654 65.509 29.171 -99.200 -91.000 TYR 39 0.840 58.025 67.516 20.018 -99.200 -91.000 TYR 61 0.840 48.735 50.307 15.109 -99.200 -91.000 PHE 76 1.000 35.575 43.946 22.164 -99.200 -91.000 PHE 94 1.000 39.974 53.493 15.710 -99.200 -91.000 TYR 106 0.840 34.195 51.187 0.873 -99.200 -91.000 TRP 117 1.040 52.218 62.031 1.666 -99.200 -91.000 TRP6 117 1.020 53.369 60.323 0.505 -99.200 -91.000 TYR 130 0.840 29.923 59.499 3.136 -99.200 -91.000 PHE 132 1.000 28.353 55.547 8.253 -99.200 -91.000 TYR 134 0.840 22.557 63.670 7.004 -99.200 -91.000 PHE 140 1.000 29.953 53.475 2.063 -99.200 -91.000 PHE 147 1.000 36.198 45.348 12.301 -99.200 -91.000 PHE 154 1.000 33.668 67.697 19.588 -99.200 -91.000 PHE 182 1.000 32.290 63.860 22.330 -99.200 -91.000 HIS 200 0.900 32.626 56.852 33.163 -99.200 -91.000 PHE 210 1.000 22.333 54.343 21.315 -99.200 -91.000 TYR 214 0.840 19.005 53.034 16.400 -99.200 -91.000 PHE 216 1.000 24.353 47.647 14.151 -99.200 -91.000 PHE 223 1.000 39.978 49.197 30.723 -99.200 -91.000 HIS 230 0.900 38.635 69.247 28.205 -99.200 -91.000 PHE 235 1.000 33.522 52.727 29.773 -99.200 -91.000 HIS 238 0.900 32.652 41.716 18.868 -99.200 -91.000 HIS 261 0.900 35.581 55.121 36.920 -99.200 -91.000 PHE 264 1.000 42.251 54.793 31.582 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hp7A1 ALA 0 HA 0.02 0.00 0.04 -0.75 4.34 3.65 3hp7A1 ALA 0 HB3 0.02 -0.01 -0.00 -0.04 1.41 1.38 3hp7A1 PRO 2 HA 0.02 -0.01 0.03 -0.51 4.44 3.96 3hp7A1 PRO 2 HB2 0.02 -0.04 -0.10 -0.04 2.28 2.11 3hp7A1 PRO 2 HB3 0.02 0.02 0.12 -0.04 2.02 2.13 3hp7A1 PRO 2 HG2 0.02 -0.04 0.03 -0.04 2.03 1.99 3hp7A1 PRO 2 HG3 0.02 0.05 0.09 -0.04 2.03 2.15 3hp7A1 PRO 2 HD2 0.02 -0.12 0.04 -0.04 3.68 3.58 3hp7A1 PRO 2 HD3 0.02 0.10 -0.65 -0.04 3.65 3.08 3hp7A1 LYS 3 H 0.02 0.20 0.09 -0.55 8.42 8.18 3hp7A1 LYS 3 HA 0.02 0.26 0.74 -0.75 4.32 4.59 3hp7A1 LYS 3 HB2 0.02 0.01 -0.07 -0.04 1.87 1.78 3hp7A1 LYS 3 HB3 0.02 -0.06 -0.22 -0.04 1.79 1.49 3hp7A1 LYS 3 HG2 0.02 -0.03 -0.55 -0.04 1.46 0.87 3hp7A1 LYS 3 HG3 0.02 0.01 -0.33 -0.04 1.46 1.12 3hp7A1 LYS 3 HD2 0.02 0.01 -0.17 -0.04 1.69 1.51 3hp7A1 LYS 3 HD3 0.03 0.07 -0.41 -0.04 1.68 1.33 3hp7A1 LYS 3 HE2 0.03 -0.07 -0.09 -0.04 2.99 2.82 3hp7A1 LYS 3 HE3 0.02 0.02 -0.12 -0.04 2.99 2.88 3hp7A1 GLU 4 H 0.01 0.68 0.30 -0.55 8.60 9.04 3hp7A1 GLU 4 HA 0.01 0.12 0.75 -0.75 4.29 4.42 3hp7A1 GLU 4 HB2 0.02 0.07 -0.13 -0.04 2.09 2.00 3hp7A1 GLU 4 HB3 0.01 0.04 -0.02 -0.04 1.99 1.98 3hp7A1 GLU 4 HG2 0.04 0.02 -0.09 -0.04 2.34 2.26 3hp7A1 GLU 4 HG3 0.02 0.10 -0.06 -0.04 2.34 2.36 3hp7A1 ARG 5 H 0.01 0.13 0.12 -0.55 8.46 8.16 3hp7A1 ARG 5 HA -0.01 0.29 0.35 -0.75 4.34 4.22 3hp7A1 ARG 5 HB2 0.00 -0.19 0.13 -0.04 1.90 1.80 3hp7A1 ARG 5 HB3 -0.01 0.15 0.14 -0.04 1.80 2.05 3hp7A1 ARG 5 HG2 -0.00 0.15 0.04 -0.04 1.67 1.82 3hp7A1 ARG 5 HG3 0.00 -0.01 0.07 -0.04 1.67 1.70 3hp7A1 ARG 5 HD2 -0.00 0.07 0.03 -0.04 3.22 3.27 3hp7A1 ARG 5 HD3 -0.00 -0.05 0.04 -0.04 3.22 3.17 3hp7A1 VAL 6 H -0.05 0.57 0.23 -0.55 8.24 8.44 3hp7A1 VAL 6 HA -0.17 0.00 0.37 -0.75 4.13 3.58 3hp7A1 VAL 6 HB -0.09 0.00 0.13 -0.04 2.12 2.12 3hp7A1 VAL 6 HG13 -0.34 -0.01 -0.18 -0.04 0.97 0.40 3hp7A1 VAL 6 HG23 -0.23 0.09 0.05 -0.04 0.95 0.82 3hp7A1 ASP 7 H -0.03 0.58 0.01 -0.55 8.40 8.40 3hp7A1 ASP 7 HA -0.01 0.12 0.35 -0.75 4.63 4.34 3hp7A1 ASP 7 HB2 -0.06 -0.06 -0.24 -0.04 2.71 2.31 3hp7A1 ASP 7 HB3 -0.05 0.04 0.03 -0.04 2.70 2.68 3hp7A1 VAL 8 H 0.01 0.14 -0.21 -0.55 8.24 7.63 3hp7A1 VAL 8 HA 0.13 0.00 0.38 -0.75 4.13 3.89 3hp7A1 VAL 8 HB 0.04 0.06 0.10 -0.04 2.12 2.28 3hp7A1 VAL 8 HG13 0.11 0.02 -0.06 -0.04 0.97 1.00 3hp7A1 VAL 8 HG23 0.00 -0.00 0.03 -0.04 0.95 0.94 3hp7A1 LEU 9 H 0.03 0.53 -0.28 -0.55 8.37 8.11 3hp7A1 LEU 9 HA 0.05 0.04 0.37 -0.75 4.35 4.05 3hp7A1 LEU 9 HB2 -0.00 0.06 -0.03 -0.04 1.64 1.62 3hp7A1 LEU 9 HB3 -0.03 0.03 0.03 -0.04 1.64 1.63 3hp7A1 LEU 9 HG 0.00 -0.02 -0.06 -0.04 1.64 1.52 3hp7A1 LEU 9 HD13 0.02 0.03 0.03 -0.04 0.93 0.97 3hp7A1 LEU 9 HD23 -0.02 0.01 -0.09 -0.04 0.89 0.74 3hp7A1 ALA 10 H 0.06 0.58 -0.19 -0.55 8.40 8.30 3hp7A1 ALA 10 HA 0.08 0.02 0.34 -0.75 4.34 4.03 3hp7A1 ALA 10 HB3 0.24 0.02 0.02 -0.04 1.41 1.65 3hp7A1 TYR 11 H 0.26 0.53 -0.16 -0.55 8.29 8.37 3hp7A1 TYR 11 HA 0.17 0.02 0.43 -0.75 4.56 4.43 3hp7A1 TYR 11 HB2 0.09 -0.08 -0.15 -0.04 3.06 2.88 3hp7A1 TYR 11 HB3 0.07 0.12 0.14 -0.04 2.98 3.26 3hp7A1 TYR 11 HD2 0.09 0.06 -0.27 -0.04 7.15 6.98 3hp7A1 TYR 11 HE2 0.10 0.13 -0.05 -0.04 6.85 6.99 3hp7A1 LYS 12 H 0.09 0.60 -0.11 -0.55 8.42 8.44 3hp7A1 LYS 12 HA -0.34 0.00 0.31 -0.75 4.32 3.53 3hp7A1 LYS 12 HB2 0.02 0.06 0.16 -0.04 1.87 2.08 3hp7A1 LYS 12 HB3 -0.01 -0.03 0.05 -0.04 1.79 1.76 3hp7A1 LYS 12 HG2 0.07 -0.04 0.02 -0.04 1.46 1.47 3hp7A1 LYS 12 HG3 0.20 0.13 0.04 -0.04 1.46 1.79 3hp7A1 LYS 12 HD2 0.07 -0.02 -0.08 -0.04 1.69 1.61 3hp7A1 LYS 12 HD3 0.05 0.01 -0.01 -0.04 1.68 1.69 3hp7A1 LYS 12 HE2 0.11 0.00 -0.01 -0.04 2.99 3.05 3hp7A1 LYS 12 HE3 0.14 -0.06 -0.03 -0.04 2.99 3.00 3hp7A1 GLN 13 H -0.01 0.53 -0.24 -0.55 8.47 8.20 3hp7A1 GLN 13 HA -0.04 0.06 0.59 -0.75 4.36 4.22 3hp7A1 GLN 13 HB2 0.00 0.06 0.10 -0.04 2.15 2.27 3hp7A1 GLN 13 HB3 -0.01 -0.10 0.14 -0.04 2.02 2.00 3hp7A1 GLN 13 HG2 -0.00 -0.07 0.02 -0.04 2.40 2.31 3hp7A1 GLN 13 HG3 0.00 0.10 0.02 -0.04 2.39 2.48 3hp7A1 GLN 13 HE21 0.01 0.57 0.08 -0.04 6.97 7.59 3hp7A1 GLN 13 HE22 0.01 0.02 -0.03 -0.04 7.69 7.64 3hp7A1 GLY 14 H -0.09 0.46 -0.50 -0.55 8.43 7.75 3hp7A1 GLY 14 HA2 -0.07 0.02 0.24 -0.51 4.01 3.69 3hp7A1 GLY 14 HA3 -0.07 0.06 0.29 -0.51 4.01 3.79 3hp7A1 LEU 15 H -0.04 0.42 -0.13 -0.55 8.37 8.08 3hp7A1 LEU 15 HA -0.23 0.07 0.40 -0.75 4.35 3.83 3hp7A1 LEU 15 HB2 -0.04 0.00 -0.06 -0.04 1.64 1.50 3hp7A1 LEU 15 HB3 -0.59 -0.02 -0.14 -0.04 1.64 0.85 3hp7A1 LEU 15 HG -0.11 -0.02 -0.11 -0.04 1.64 1.36 3hp7A1 LEU 15 HD13 -0.02 0.04 -0.17 -0.04 0.93 0.74 3hp7A1 LEU 15 HD23 0.02 -0.02 -0.28 -0.04 0.89 0.56 3hp7A1 PHE 16 H 0.12 0.20 -0.23 -0.55 8.34 7.88 3hp7A1 PHE 16 HA 0.05 0.22 0.56 -0.75 4.62 4.69 3hp7A1 PHE 16 HB2 0.11 -0.03 -0.16 -0.04 3.15 3.04 3hp7A1 PHE 16 HB3 0.07 -0.16 -0.07 -0.04 3.06 2.86 3hp7A1 PHE 16 HD2 0.05 -0.06 -0.21 -0.04 7.28 7.02 3hp7A1 PHE 16 HE2 0.03 0.02 -0.13 -0.04 7.38 7.26 3hp7A1 PHE 16 HZ 0.04 0.03 -0.20 -0.04 7.32 7.14 3hp7A1 GLU 17 H 0.21 0.15 0.07 -0.55 8.60 8.49 3hp7A1 GLU 17 HA 0.15 0.06 0.32 -0.75 4.29 4.07 3hp7A1 GLU 17 HB2 0.07 -0.05 -0.02 -0.04 2.09 2.05 3hp7A1 GLU 17 HB3 0.04 0.08 -0.10 -0.04 1.99 1.97 3hp7A1 GLU 17 HG2 0.03 -0.01 -0.18 -0.04 2.34 2.14 3hp7A1 GLU 17 HG3 0.07 -0.00 -0.01 -0.04 2.34 2.36 3hp7A1 THR 18 H 0.19 0.06 -0.05 -0.55 8.28 7.92 3hp7A1 THR 18 HA -0.02 0.32 0.80 -0.75 4.39 4.73 3hp7A1 THR 18 HB -0.11 -0.04 0.12 -0.04 4.32 4.25 3hp7A1 THR 18 HG23 -0.04 0.06 -0.18 -0.04 1.22 1.02 3hp7A1 ARG 19 H -0.50 0.28 0.13 -0.55 8.46 7.81 3hp7A1 ARG 19 HA -0.20 0.13 0.42 -0.75 4.34 3.94 3hp7A1 ARG 19 HB2 -0.25 0.01 0.09 -0.04 1.90 1.71 3hp7A1 ARG 19 HB3 -0.17 0.02 -0.04 -0.04 1.80 1.57 3hp7A1 ARG 19 HG2 -0.35 0.01 0.03 -0.04 1.67 1.31 3hp7A1 ARG 19 HG3 -1.11 0.01 0.06 -0.04 1.67 0.59 3hp7A1 ARG 19 HD2 -0.22 0.03 0.03 -0.04 3.22 3.02 3hp7A1 ARG 19 HD3 -0.13 -0.00 0.01 -0.04 3.22 3.05 3hp7A1 GLU 20 H -0.13 0.13 -0.09 -0.55 8.60 7.97 3hp7A1 GLU 20 HA -0.09 0.00 0.58 -0.75 4.29 4.03 3hp7A1 GLU 20 HB2 -0.07 0.00 0.08 -0.04 2.09 2.06 3hp7A1 GLU 20 HB3 -0.06 -0.02 0.05 -0.04 1.99 1.91 3hp7A1 GLU 20 HG2 -0.04 0.06 -0.03 -0.04 2.34 2.29 3hp7A1 GLU 20 HG3 -0.05 0.01 -0.24 -0.04 2.34 2.01 3hp7A1 GLN 21 H -0.06 0.07 -0.28 -0.55 8.47 7.65 3hp7A1 GLN 21 HA -0.09 0.15 0.39 -0.75 4.36 4.05 3hp7A1 GLN 21 HB2 0.06 -0.12 0.10 -0.04 2.15 2.15 3hp7A1 GLN 21 HB3 0.07 0.09 -0.02 -0.04 2.02 2.13 3hp7A1 GLN 21 HG2 0.03 0.11 0.02 -0.04 2.40 2.52 3hp7A1 GLN 21 HG3 0.01 -0.04 0.01 -0.04 2.39 2.33 3hp7A1 GLN 21 HE21 0.06 0.06 -0.01 -0.04 6.97 7.04 3hp7A1 GLN 21 HE22 0.04 0.04 -0.01 -0.04 7.69 7.72 3hp7A1 ALA 22 H -0.12 0.40 -0.26 -0.55 8.40 7.87 3hp7A1 ALA 22 HA -1.37 0.08 0.38 -0.75 4.34 2.67 3hp7A1 ALA 22 HB3 0.04 0.03 0.06 -0.04 1.41 1.50 3hp7A1 LYS 23 H -0.16 0.42 -0.20 -0.55 8.42 7.92 3hp7A1 LYS 23 HA -0.10 -0.04 0.42 -0.75 4.32 3.84 3hp7A1 LYS 23 HB2 -0.07 -0.05 0.10 -0.04 1.87 1.81 3hp7A1 LYS 23 HB3 -0.09 0.10 0.17 -0.04 1.79 1.93 3hp7A1 LYS 23 HG2 -0.06 0.08 -0.24 -0.04 1.46 1.21 3hp7A1 LYS 23 HG3 -0.05 -0.07 0.04 -0.04 1.46 1.33 3hp7A1 LYS 23 HD2 -0.05 -0.02 0.00 -0.04 1.69 1.58 3hp7A1 LYS 23 HD3 -0.04 0.05 -0.02 -0.04 1.68 1.63 3hp7A1 LYS 23 HE2 -0.03 -0.06 -0.02 -0.04 2.99 2.84 3hp7A1 LYS 23 HE3 -0.04 -0.04 -0.03 -0.04 2.99 2.84 3hp7A1 ARG 24 H -0.16 0.34 -0.19 -0.55 8.46 7.90 3hp7A1 ARG 24 HA -0.07 0.00 0.39 -0.75 4.34 3.90 3hp7A1 ARG 24 HB2 -0.12 0.00 0.19 -0.04 1.90 1.93 3hp7A1 ARG 24 HB3 -0.07 0.00 0.04 -0.04 1.80 1.73 3hp7A1 ARG 24 HG2 -0.05 0.00 0.04 -0.04 1.67 1.62 3hp7A1 ARG 24 HG3 -0.06 0.00 0.04 -0.04 1.67 1.60 3hp7A1 ARG 24 HD2 -0.03 0.05 0.01 -0.04 3.22 3.21 3hp7A1 ARG 24 HD3 -0.03 -0.00 0.00 -0.04 3.22 3.15 3hp7A1 GLY 25 H -0.46 0.46 -0.22 -0.55 8.43 7.67 3hp7A1 GLY 25 HA2 -0.04 0.07 0.34 -0.51 4.01 3.86 3hp7A1 GLY 25 HA3 -0.55 -0.03 0.24 -0.51 4.01 3.16 3hp7A1 VAL 26 H -0.18 0.53 -0.15 -0.55 8.24 7.90 3hp7A1 VAL 26 HA 0.06 -0.08 0.40 -0.75 4.13 3.76 3hp7A1 VAL 26 HB -0.03 0.10 0.10 -0.04 2.12 2.25 3hp7A1 VAL 26 HG13 0.06 0.01 -0.33 -0.04 0.97 0.67 3hp7A1 VAL 26 HG23 -0.01 0.00 -0.09 -0.04 0.95 0.81 3hp7A1 ALA 28 HA 0.02 -0.08 0.31 -0.75 4.34 3.83 3hp7A1 ALA 28 HB3 0.03 -0.03 0.14 -0.04 1.41 1.50 3hp7A1 GLY 29 H 0.04 0.53 -0.94 -0.55 8.43 7.51 3hp7A1 GLY 29 HA2 0.06 0.07 0.42 -0.51 4.01 4.05 3hp7A1 GLY 29 HA3 0.04 0.02 0.54 -0.51 4.01 4.10 3hp7A1 LEU 30 H 0.10 0.63 -0.07 -0.55 8.37 8.48 3hp7A1 LEU 30 HA 0.09 0.15 0.59 -0.75 4.35 4.42 3hp7A1 LEU 30 HB2 0.27 -0.00 -0.02 -0.04 1.64 1.85 3hp7A1 LEU 30 HB3 0.17 -0.10 0.11 -0.04 1.64 1.78 3hp7A1 LEU 30 HG 0.09 0.11 -0.20 -0.04 1.64 1.61 3hp7A1 LEU 30 HD13 0.17 -0.03 -0.00 -0.04 0.93 1.03 3hp7A1 LEU 30 HD23 0.07 0.02 -0.14 -0.04 0.89 0.80 3hp7A1 VAL 31 H 0.15 0.20 -0.15 -0.55 8.24 7.90 3hp7A1 VAL 31 HA 0.16 0.26 0.85 -0.75 4.13 4.65 3hp7A1 VAL 31 HB 0.18 -0.02 0.04 -0.04 2.12 2.27 3hp7A1 VAL 31 HG13 0.12 -0.01 -0.18 -0.04 0.97 0.86 3hp7A1 VAL 31 HG23 0.32 0.01 -0.26 -0.04 0.95 0.97 3hp7A1 VAL 32 H 0.13 0.71 0.28 -0.55 8.24 8.82 3hp7A1 VAL 32 HA 0.14 0.00 1.00 -0.75 4.13 4.52 3hp7A1 VAL 32 HB 0.03 0.06 -0.38 -0.04 2.12 1.78 3hp7A1 VAL 32 HG13 0.04 0.01 -0.38 -0.04 0.97 0.60 3hp7A1 VAL 32 HG23 0.05 -0.01 -0.37 -0.04 0.95 0.58 3hp7A1 ASN 33 H 0.01 0.69 0.12 -0.55 8.53 8.80 3hp7A1 ASN 33 HA 0.23 0.17 0.68 -0.75 4.76 5.07 3hp7A1 ASN 33 HB2 -0.03 0.11 0.10 -0.04 2.88 3.02 3hp7A1 ASN 33 HB3 -0.03 -0.15 0.14 -0.04 2.79 2.71 3hp7A1 ASN 33 HD21 0.11 -0.01 0.04 -0.04 7.03 7.13 3hp7A1 ASN 33 HD22 0.30 0.05 0.01 -0.04 7.74 8.06 3hp7A1 VAL 34 H 0.08 0.64 0.27 -0.55 8.24 8.67 3hp7A1 VAL 34 HA 0.02 0.12 0.26 -0.75 4.13 3.78 3hp7A1 VAL 34 HB 0.03 -0.00 0.06 -0.04 2.12 2.17 3hp7A1 VAL 34 HG13 0.01 0.03 -0.29 -0.04 0.97 0.68 3hp7A1 VAL 34 HG23 0.04 -0.05 -0.35 -0.04 0.95 0.54 3hp7A1 ILE 35 H 0.03 0.03 -0.09 -0.55 8.25 7.68 3hp7A1 ILE 35 HA -0.01 0.14 0.29 -0.75 4.18 3.85 3hp7A1 ILE 35 HB 0.01 -0.07 0.09 -0.04 1.89 1.88 3hp7A1 ILE 35 HG12 -0.02 0.05 0.01 -0.04 1.49 1.49 3hp7A1 ILE 35 HG13 0.00 -0.06 0.04 -0.04 1.21 1.15 3hp7A1 ILE 35 HG23 -0.01 0.02 -0.13 -0.04 0.93 0.76 3hp7A1 ILE 35 HD13 -0.00 -0.00 0.04 -0.04 0.88 0.87 3hp7A1 ASN 36 H -0.00 -0.08 -0.23 -0.55 8.53 7.68 3hp7A1 ASN 36 HA -0.02 0.33 0.94 -0.75 4.76 5.26 3hp7A1 ASN 36 HB2 -0.02 0.06 0.11 -0.04 2.88 2.99 3hp7A1 ASN 36 HB3 -0.01 0.01 -0.11 -0.04 2.79 2.63 3hp7A1 ASN 36 HD21 -0.04 0.00 -0.02 -0.04 7.03 6.93 3hp7A1 ASN 36 HD22 -0.01 0.05 -0.03 -0.04 7.74 7.71 3hp7A1 GLY 37 H -0.01 0.38 -0.13 -0.55 8.43 8.12 3hp7A1 GLY 37 HA2 -0.01 0.09 0.23 -0.51 4.01 3.81 3hp7A1 GLY 37 HA3 -0.02 0.10 0.32 -0.51 4.01 3.90 3hp7A1 GLU 38 H -0.06 -0.08 -0.44 -0.55 8.60 7.48 3hp7A1 GLU 38 HA -0.07 0.15 0.50 -0.75 4.29 4.11 3hp7A1 GLU 38 HB2 -0.15 -0.13 0.02 -0.04 2.09 1.79 3hp7A1 GLU 38 HB3 -0.15 0.10 -0.01 -0.04 1.99 1.90 3hp7A1 GLU 38 HG2 -0.05 0.12 -0.09 -0.04 2.34 2.27 3hp7A1 GLU 38 HG3 -0.07 -0.03 -0.02 -0.04 2.34 2.19 3hp7A1 ARG 39 H -0.07 0.15 0.19 -0.55 8.46 8.19 3hp7A1 ARG 39 HA 0.00 0.14 0.59 -0.75 4.34 4.31 3hp7A1 ARG 39 HB2 0.00 0.05 0.10 -0.04 1.90 2.01 3hp7A1 ARG 39 HB3 -0.02 -0.07 0.12 -0.04 1.80 1.78 3hp7A1 ARG 39 HG2 0.04 0.08 -0.23 -0.04 1.67 1.52 3hp7A1 ARG 39 HG3 0.06 0.08 -0.00 -0.04 1.67 1.76 3hp7A1 ARG 39 HD2 0.03 0.02 0.13 -0.04 3.22 3.36 3hp7A1 ARG 39 HD3 0.02 -0.01 0.06 -0.04 3.22 3.25 3hp7A1 TYR 40 H 0.18 0.58 0.30 -0.55 8.29 8.81 3hp7A1 TYR 40 HA 0.02 0.03 0.79 -0.75 4.56 4.65 3hp7A1 TYR 40 HB2 0.04 0.08 0.10 -0.04 3.06 3.23 3hp7A1 TYR 40 HB3 0.03 -0.09 -0.06 -0.04 2.98 2.82 3hp7A1 TYR 40 HD2 0.03 0.03 -0.15 -0.04 7.15 7.01 3hp7A1 TYR 40 HE2 0.03 -0.02 -0.18 -0.04 6.85 6.63 3hp7A1 ASP 41 H 0.09 0.07 0.15 -0.55 8.40 8.16 3hp7A1 ASP 41 HA 0.06 0.38 0.90 -0.75 4.63 5.21 3hp7A1 ASP 41 HB2 0.03 -0.06 0.08 -0.04 2.71 2.72 3hp7A1 ASP 41 HB3 0.03 0.02 0.05 -0.04 2.70 2.75 3hp7A1 LYS 42 H 0.10 0.04 0.05 -0.55 8.42 8.06 3hp7A1 LYS 42 HA 0.03 0.00 1.01 -0.75 4.32 4.61 3hp7A1 LYS 42 HB2 0.06 0.00 0.17 -0.04 1.87 2.05 3hp7A1 LYS 42 HB3 0.03 0.00 0.03 -0.04 1.79 1.81 3hp7A1 LYS 42 HG2 0.02 0.10 -0.04 -0.04 1.46 1.50 3hp7A1 LYS 42 HG3 0.03 -0.04 -0.26 -0.04 1.46 1.15 3hp7A1 LYS 42 HD2 0.04 0.00 0.01 -0.04 1.69 1.69 3hp7A1 LYS 42 HD3 0.03 0.00 -0.02 -0.04 1.68 1.65 3hp7A1 LYS 42 HE2 0.02 0.01 -0.01 -0.04 2.99 2.97 3hp7A1 LYS 42 HE3 0.02 0.04 -0.02 -0.04 2.99 2.98 3hp7A1 PRO 43 HA -0.01 0.05 0.44 -0.51 4.44 4.41 3hp7A1 PRO 43 HB2 -0.02 0.01 -0.02 -0.04 2.28 2.21 3hp7A1 PRO 43 HB3 -0.04 0.04 0.17 -0.04 2.02 2.14 3hp7A1 PRO 43 HG2 -0.02 0.05 0.09 -0.04 2.03 2.12 3hp7A1 PRO 43 HG3 -0.02 0.27 0.12 -0.04 2.03 2.36 3hp7A1 PRO 43 HD2 0.01 0.11 0.25 -0.04 3.68 4.00 3hp7A1 PRO 43 HD3 0.01 0.38 0.12 -0.04 3.65 4.12 3hp7A1 GLY 44 H 0.01 0.14 -0.28 -0.55 8.43 7.75 3hp7A1 GLY 44 HA2 -0.00 0.08 0.67 -0.51 4.01 4.24 3hp7A1 GLY 44 HA3 0.00 0.08 0.29 -0.51 4.01 3.87 3hp7A1 GLU 45 H 0.02 0.35 -0.26 -0.55 8.60 8.16 3hp7A1 GLU 45 HA 0.03 0.07 0.50 -0.75 4.29 4.14 3hp7A1 GLU 45 HB2 0.07 -0.05 0.14 -0.04 2.09 2.21 3hp7A1 GLU 45 HB3 0.08 -0.03 0.10 -0.04 1.99 2.10 3hp7A1 GLU 45 HG2 0.08 0.12 -0.32 -0.04 2.34 2.17 3hp7A1 GLU 45 HG3 0.06 0.02 0.03 -0.04 2.34 2.42 3hp7A1 LYS 46 H 0.03 0.16 0.18 -0.55 8.42 8.23 3hp7A1 LYS 46 HA 0.01 0.14 0.32 -0.75 4.32 4.03 3hp7A1 LYS 46 HB2 0.02 0.00 0.11 -0.04 1.87 1.96 3hp7A1 LYS 46 HB3 0.02 -0.01 -0.13 -0.04 1.79 1.62 3hp7A1 LYS 46 HG2 0.01 0.06 0.05 -0.04 1.46 1.54 3hp7A1 LYS 46 HG3 0.01 0.03 -0.03 -0.04 1.46 1.43 3hp7A1 LYS 46 HD2 0.01 0.00 -0.26 -0.04 1.69 1.40 3hp7A1 LYS 46 HD3 0.01 -0.05 -0.35 -0.04 1.68 1.25 3hp7A1 LYS 46 HE2 0.01 -0.08 -0.04 -0.04 2.99 2.84 3hp7A1 LYS 46 HE3 0.01 0.07 -0.01 -0.04 2.99 3.02 3hp7A1 ILE 47 H 0.00 0.71 0.31 -0.55 8.25 8.72 3hp7A1 ILE 47 HA 0.04 0.15 0.80 -0.75 4.18 4.42 3hp7A1 ILE 47 HB 0.06 -0.04 0.08 -0.04 1.89 1.95 3hp7A1 ILE 47 HG12 -0.07 0.05 -0.03 -0.04 1.49 1.40 3hp7A1 ILE 47 HG13 -0.02 0.14 -0.26 -0.04 1.21 1.03 3hp7A1 ILE 47 HG23 0.10 0.00 -0.30 -0.04 0.93 0.69 3hp7A1 ILE 47 HD13 -0.22 -0.02 -0.09 -0.04 0.88 0.51 3hp7A1 ASP 48 H 0.04 0.11 0.14 -0.55 8.40 8.15 3hp7A1 ASP 48 HA 0.03 0.24 0.44 -0.75 4.63 4.58 3hp7A1 ASP 48 HB2 0.04 -0.07 0.14 -0.04 2.71 2.79 3hp7A1 ASP 48 HB3 0.04 0.01 0.11 -0.04 2.70 2.82 3hp7A1 ASP 49 H 0.02 0.72 0.41 -0.55 8.40 9.00 3hp7A1 ASP 49 HA 0.01 0.08 0.39 -0.75 4.63 4.36 3hp7A1 ASP 49 HB2 0.02 -0.04 0.11 -0.04 2.71 2.75 3hp7A1 ASP 49 HB3 0.02 -0.01 -0.05 -0.04 2.70 2.62 3hp7A1 GLY 50 H 0.03 0.02 -0.43 -0.55 8.43 7.51 3hp7A1 GLY 50 HA2 0.03 0.14 0.56 -0.51 4.01 4.22 3hp7A1 GLY 50 HA3 0.03 0.01 0.24 -0.51 4.01 3.78 3hp7A1 THR 51 H 0.03 0.47 -0.31 -0.55 8.28 7.91 3hp7A1 THR 51 HA 0.04 -0.04 0.42 -0.75 4.39 4.06 3hp7A1 THR 51 HB 0.02 0.03 0.03 -0.04 4.32 4.35 3hp7A1 THR 51 HG23 0.11 -0.01 -0.16 -0.04 1.22 1.13 3hp7A1 GLU 52 H 0.04 0.09 0.27 -0.55 8.60 8.45 3hp7A1 GLU 52 HA 0.03 0.09 0.63 -0.75 4.29 4.29 3hp7A1 GLU 52 HB2 0.03 -0.09 0.26 -0.04 2.09 2.25 3hp7A1 GLU 52 HB3 0.03 -0.05 0.15 -0.04 1.99 2.08 3hp7A1 GLU 52 HG2 0.02 0.12 0.17 -0.04 2.34 2.61 3hp7A1 GLU 52 HG3 0.02 0.17 0.17 -0.04 2.34 2.65 3hp7A1 LEU 53 H 0.03 0.20 0.27 -0.55 8.37 8.32 3hp7A1 LEU 53 HA 0.09 0.20 0.98 -0.75 4.35 4.86 3hp7A1 LEU 53 HB2 0.03 -0.02 -0.04 -0.04 1.64 1.57 3hp7A1 LEU 53 HB3 0.05 0.04 -0.03 -0.04 1.64 1.66 3hp7A1 LEU 53 HG 0.00 0.15 -0.28 -0.04 1.64 1.47 3hp7A1 LEU 53 HD13 -0.05 -0.01 -0.19 -0.04 0.93 0.64 3hp7A1 LEU 53 HD23 -0.05 -0.00 -0.23 -0.04 0.89 0.56 3hp7A1 LYS 54 H 0.08 0.66 0.31 -0.55 8.42 8.92 3hp7A1 LYS 54 HA 0.01 0.10 0.67 -0.75 4.32 4.35 3hp7A1 LYS 54 HB2 0.02 -0.01 0.10 -0.04 1.87 1.93 3hp7A1 LYS 54 HB3 0.03 -0.07 -0.23 -0.04 1.79 1.48 3hp7A1 LYS 54 HG2 0.04 -0.06 -0.33 -0.04 1.46 1.08 3hp7A1 LYS 54 HG3 0.03 0.11 -0.44 -0.04 1.46 1.12 3hp7A1 LYS 54 HD2 0.01 0.06 -0.10 -0.04 1.69 1.62 3hp7A1 LYS 54 HD3 0.01 -0.09 -0.16 -0.04 1.68 1.41 3hp7A1 LYS 54 HE2 0.01 -0.02 -0.18 -0.04 2.99 2.75 3hp7A1 LYS 54 HE3 0.01 -0.02 -0.13 -0.04 2.99 2.80 3hp7A1 LEU 55 H -0.01 0.11 0.14 -0.55 8.37 8.07 3hp7A1 LEU 55 HA 0.03 0.32 0.95 -0.75 4.35 4.90 3hp7A1 LEU 55 HB2 -0.02 -0.06 0.10 -0.04 1.64 1.61 3hp7A1 LEU 55 HB3 -0.01 0.15 0.10 -0.04 1.64 1.84 3hp7A1 LEU 55 HG -0.14 -0.15 0.00 -0.04 1.64 1.31 3hp7A1 LEU 55 HD13 -0.15 0.04 0.05 -0.04 0.93 0.83 3hp7A1 LEU 55 HD23 -0.28 0.03 -0.06 -0.04 0.89 0.54 3hp7A1 LYS 56 H 0.06 0.72 0.30 -0.55 8.42 8.94 3hp7A1 LYS 56 HA 0.03 -0.04 0.38 -0.75 4.32 3.94 3hp7A1 LYS 56 HB2 0.05 0.11 0.13 -0.04 1.87 2.12 3hp7A1 LYS 56 HB3 0.05 -0.02 0.18 -0.04 1.79 1.96 3hp7A1 LYS 56 HG2 0.02 -0.02 -0.21 -0.04 1.46 1.20 3hp7A1 LYS 56 HG3 0.02 -0.06 0.03 -0.04 1.46 1.41 3hp7A1 LYS 56 HD2 0.02 -0.03 0.03 -0.04 1.69 1.67 3hp7A1 LYS 56 HD3 0.04 0.19 0.01 -0.04 1.68 1.88 3hp7A1 LYS 56 HE2 0.03 -0.02 -0.05 -0.04 2.99 2.91 3hp7A1 LYS 56 HE3 0.02 -0.05 -0.04 -0.04 2.99 2.87 3hp7A1 GLY 57 H 0.01 0.13 0.14 -0.55 8.43 8.16 3hp7A1 GLY 57 HA2 0.00 -0.01 0.27 -0.51 4.01 3.76 3hp7A1 GLY 57 HA3 0.01 0.13 0.36 -0.51 4.01 4.00 3hp7A1 GLU 58 H 0.01 0.55 -0.30 -0.55 8.60 8.30 3hp7A1 GLU 58 HA -0.00 0.04 0.54 -0.75 4.29 4.11 3hp7A1 GLU 58 HB2 0.01 0.06 0.11 -0.04 2.09 2.23 3hp7A1 GLU 58 HB3 0.01 -0.07 -0.08 -0.04 1.99 1.81 3hp7A1 GLU 58 HG2 0.00 0.03 -0.00 -0.04 2.34 2.33 3hp7A1 GLU 58 HG3 -0.00 0.12 -0.06 -0.04 2.34 2.35 3hp7A1 LYS 59 H -0.01 0.18 0.18 -0.55 8.42 8.21 3hp7A1 LYS 59 HA -0.03 0.11 0.64 -0.75 4.32 4.28 3hp7A1 LYS 59 HB2 -0.03 -0.03 0.17 -0.04 1.87 1.94 3hp7A1 LYS 59 HB3 -0.04 -0.01 -0.03 -0.04 1.79 1.67 3hp7A1 LYS 59 HG2 -0.02 0.14 0.07 -0.04 1.46 1.61 3hp7A1 LYS 59 HG3 -0.02 -0.01 0.02 -0.04 1.46 1.41 3hp7A1 LYS 59 HD2 -0.03 -0.03 -0.04 -0.04 1.69 1.55 3hp7A1 LYS 59 HD3 -0.02 0.03 -0.22 -0.04 1.68 1.44 3hp7A1 LYS 59 HE2 -0.02 0.05 -0.02 -0.04 2.99 2.96 3hp7A1 LYS 59 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.89 3hp7A1 LEU 60 H -0.06 0.32 0.05 -0.55 8.37 8.13 3hp7A1 LEU 60 HA -0.09 0.06 0.77 -0.75 4.35 4.33 3hp7A1 LEU 60 HB2 -0.00 0.02 -0.37 -0.04 1.64 1.24 3hp7A1 LEU 60 HB3 -0.03 0.13 -0.02 -0.04 1.64 1.68 3hp7A1 LEU 60 HG -0.03 0.04 -0.33 -0.04 1.64 1.27 3hp7A1 LEU 60 HD13 0.12 0.01 -0.14 -0.04 0.93 0.88 3hp7A1 LEU 60 HD23 0.03 -0.03 -0.31 -0.04 0.89 0.53 3hp7A1 ARG 61 H -0.56 0.14 0.07 -0.55 8.46 7.55 3hp7A1 ARG 61 HA -0.27 0.00 0.59 -0.75 4.34 3.91 3hp7A1 ARG 61 HB2 -1.14 0.00 -0.00 -0.04 1.90 0.72 3hp7A1 ARG 61 HB3 -0.49 0.00 0.03 -0.04 1.80 1.30 3hp7A1 ARG 61 HG2 -0.20 0.05 -0.07 -0.04 1.67 1.42 3hp7A1 ARG 61 HG3 -0.24 -0.03 -0.14 -0.04 1.67 1.23 3hp7A1 ARG 61 HD2 -0.15 0.00 -0.03 -0.04 3.22 3.00 3hp7A1 ARG 61 HD3 -0.11 0.02 -0.05 -0.04 3.22 3.05 3hp7A1 TYR 62 H -0.27 0.09 -0.26 -0.55 8.29 7.30 3hp7A1 TYR 62 HA -0.02 0.29 0.73 -0.75 4.56 4.81 3hp7A1 TYR 62 HB2 0.01 0.01 -0.07 -0.04 3.06 2.97 3hp7A1 TYR 62 HB3 0.00 -0.02 0.07 -0.04 2.98 3.00 3hp7A1 TYR 62 HD2 -0.02 0.04 -0.25 -0.04 7.15 6.88 3hp7A1 TYR 62 HE2 -0.04 0.11 -0.15 -0.04 6.85 6.73 3hp7A1 VAL 63 H 0.12 0.16 0.06 -0.55 8.24 8.03 3hp7A1 VAL 63 HA 0.01 0.18 0.12 -0.75 4.13 3.68 3hp7A1 VAL 63 HB -0.01 0.03 0.04 -0.04 2.12 2.14 3hp7A1 VAL 63 HG13 -0.03 0.02 -0.00 -0.04 0.97 0.92 3hp7A1 VAL 63 HG23 0.04 -0.00 -0.22 -0.04 0.95 0.72 3hp7A1 SER 64 H 0.12 0.07 -0.29 -0.55 8.46 7.81 3hp7A1 SER 64 HA 0.05 0.00 0.80 -0.75 4.49 4.58 3hp7A1 SER 64 HB2 0.03 0.00 0.11 -0.04 3.95 4.05 3hp7A1 SER 64 HB3 0.03 0.00 -0.23 -0.04 3.93 3.69 3hp7A1 ARG 65 H 0.04 0.34 0.13 -0.55 8.46 8.42 3hp7A1 ARG 65 HA 0.08 0.12 0.35 -0.75 4.34 4.13 3hp7A1 ARG 65 HB2 0.03 0.15 0.16 -0.04 1.90 2.20 3hp7A1 ARG 65 HB3 0.02 0.03 0.12 -0.04 1.80 1.94 3hp7A1 ARG 65 HG2 0.02 -0.00 -0.12 -0.04 1.67 1.53 3hp7A1 ARG 65 HG3 0.03 0.00 0.06 -0.04 1.67 1.71 3hp7A1 ARG 65 HD2 0.00 0.03 0.20 -0.04 3.22 3.41 3hp7A1 ARG 65 HD3 -0.01 0.08 0.02 -0.04 3.22 3.27 3hp7A1 GLY 66 H 0.06 0.05 -0.26 -0.55 8.43 7.72 3hp7A1 GLY 66 HA2 0.09 0.18 0.40 -0.51 4.01 4.16 3hp7A1 GLY 66 HA3 0.08 0.04 0.26 -0.51 4.01 3.88 3hp7A1 GLY 67 H 0.13 0.37 -0.41 -0.55 8.43 7.98 3hp7A1 GLY 67 HA2 0.00 -0.02 0.18 -0.51 4.01 3.67 3hp7A1 GLY 67 HA3 -0.07 0.10 0.19 -0.51 4.01 3.72 3hp7A1 LEU 68 H 0.10 0.51 -0.36 -0.55 8.37 8.08 3hp7A1 LEU 68 HA 0.07 0.04 0.43 -0.75 4.35 4.14 3hp7A1 LEU 68 HB2 0.05 0.08 0.03 -0.04 1.64 1.77 3hp7A1 LEU 68 HB3 0.03 0.01 -0.00 -0.04 1.64 1.64 3hp7A1 LEU 68 HG 0.11 -0.07 0.07 -0.04 1.64 1.71 3hp7A1 LEU 68 HD13 0.03 0.01 -0.03 -0.04 0.93 0.90 3hp7A1 LEU 68 HD23 0.08 0.01 0.02 -0.04 0.89 0.96 3hp7A1 LYS 69 H 0.05 0.46 -0.29 -0.55 8.42 8.09 3hp7A1 LYS 69 HA -0.03 0.06 0.49 -0.75 4.32 4.09 3hp7A1 LYS 69 HB2 0.24 0.01 0.08 -0.04 1.87 2.16 3hp7A1 LYS 69 HB3 0.10 -0.02 -0.00 -0.04 1.79 1.82 3hp7A1 LYS 69 HG2 0.06 -0.02 0.00 -0.04 1.46 1.46 3hp7A1 LYS 69 HG3 0.11 0.02 0.08 -0.04 1.46 1.63 3hp7A1 LYS 69 HD2 0.23 -0.03 0.02 -0.04 1.69 1.87 3hp7A1 LYS 69 HD3 0.11 -0.01 -0.03 -0.04 1.68 1.70 3hp7A1 LYS 69 HE2 0.02 0.11 -0.12 -0.04 2.99 2.97 3hp7A1 LYS 69 HE3 0.05 -0.08 -0.01 -0.04 2.99 2.91 3hp7A1 LEU 70 H -0.49 0.18 -0.10 -0.55 8.37 7.41 3hp7A1 LEU 70 HA -0.36 0.05 0.46 -0.75 4.35 3.75 3hp7A1 LEU 70 HB2 -1.91 -0.05 0.03 -0.04 1.64 -0.33 3hp7A1 LEU 70 HB3 -0.79 0.04 0.08 -0.04 1.64 0.93 3hp7A1 LEU 70 HG -0.31 0.05 -0.14 -0.04 1.64 1.19 3hp7A1 LEU 70 HD13 -0.10 -0.00 -0.02 -0.04 0.93 0.76 3hp7A1 LEU 70 HD23 -0.28 0.01 -0.05 -0.04 0.89 0.53 3hp7A1 GLU 71 H -0.26 0.54 -0.13 -0.55 8.60 8.19 3hp7A1 GLU 71 HA -0.15 0.05 0.42 -0.75 4.29 3.86 3hp7A1 GLU 71 HB2 -0.05 -0.03 0.06 -0.04 2.09 2.02 3hp7A1 GLU 71 HB3 -0.02 0.05 0.16 -0.04 1.99 2.14 3hp7A1 GLU 71 HG2 -0.02 0.03 -0.25 -0.04 2.34 2.06 3hp7A1 GLU 71 HG3 0.05 0.00 -0.01 -0.04 2.34 2.35 3hp7A1 LYS 72 H -0.12 0.52 -0.21 -0.55 8.42 8.06 3hp7A1 LYS 72 HA -0.14 0.04 0.46 -0.75 4.32 3.93 3hp7A1 LYS 72 HB2 -0.12 0.03 0.17 -0.04 1.87 1.90 3hp7A1 LYS 72 HB3 -0.15 0.09 0.18 -0.04 1.79 1.87 3hp7A1 LYS 72 HG2 -0.29 -0.06 -0.20 -0.04 1.46 0.88 3hp7A1 LYS 72 HG3 -0.21 -0.03 0.07 -0.04 1.46 1.25 3hp7A1 LYS 72 HD2 -0.24 -0.04 0.04 -0.04 1.69 1.42 3hp7A1 LYS 72 HD3 -0.28 0.11 0.09 -0.04 1.68 1.56 3hp7A1 LYS 72 HE2 -0.47 -0.09 0.02 -0.04 2.99 2.42 3hp7A1 LYS 72 HE3 -0.36 -0.03 0.02 -0.04 2.99 2.58 3hp7A1 ALA 73 H -0.16 0.43 -0.16 -0.55 8.40 7.96 3hp7A1 ALA 73 HA -0.41 -0.03 0.24 -0.75 4.34 3.39 3hp7A1 ALA 73 HB3 0.05 0.01 0.01 -0.04 1.41 1.44 3hp7A1 LEU 74 H -0.12 0.60 -0.20 -0.55 8.37 8.11 3hp7A1 LEU 74 HA -0.02 -0.02 0.29 -0.75 4.35 3.84 3hp7A1 LEU 74 HB2 -0.11 0.07 0.08 -0.04 1.64 1.64 3hp7A1 LEU 74 HB3 -0.10 0.13 0.03 -0.04 1.64 1.66 3hp7A1 LEU 74 HG -0.14 0.12 -0.02 -0.04 1.64 1.56 3hp7A1 LEU 74 HD13 -0.18 -0.02 -0.09 -0.04 0.93 0.60 3hp7A1 LEU 74 HD23 -0.15 -0.02 -0.19 -0.04 0.89 0.49 3hp7A1 ALA 75 H -0.12 0.40 -0.22 -0.55 8.40 7.91 3hp7A1 ALA 75 HA -0.07 0.06 0.54 -0.75 4.34 4.11 3hp7A1 ALA 75 HB3 -0.10 0.01 0.13 -0.04 1.41 1.41 3hp7A1 VAL 76 H -0.27 0.68 0.08 -0.55 8.24 8.18 3hp7A1 VAL 76 HA -0.16 0.07 0.32 -0.75 4.13 3.60 3hp7A1 VAL 76 HB -0.33 -0.04 0.06 -0.04 2.12 1.77 3hp7A1 VAL 76 HG13 -0.26 0.01 0.04 -0.04 0.97 0.72 3hp7A1 VAL 76 HG23 -0.99 0.02 -0.15 -0.04 0.95 -0.21 3hp7A1 PHE 77 H -0.21 0.51 -0.27 -0.55 8.34 7.83 3hp7A1 PHE 77 HA 0.00 0.15 0.81 -0.75 4.62 4.83 3hp7A1 PHE 77 HB2 -0.21 0.10 -0.05 -0.04 3.15 2.96 3hp7A1 PHE 77 HB3 -0.34 -0.04 0.03 -0.04 3.06 2.67 3hp7A1 PHE 77 HD2 -0.02 0.08 -0.15 -0.04 7.28 7.16 3hp7A1 PHE 77 HE2 0.03 -0.08 -0.36 -0.04 7.38 6.93 3hp7A1 PHE 77 HZ 0.05 0.01 -0.42 -0.04 7.32 6.91 3hp7A1 ASN 78 H -0.01 0.30 -0.45 -0.55 8.53 7.82 3hp7A1 ASN 78 HA -0.01 0.07 0.36 -0.75 4.76 4.43 3hp7A1 ASN 78 HB2 0.02 0.01 -0.05 -0.04 2.88 2.82 3hp7A1 ASN 78 HB3 0.05 0.07 -0.02 -0.04 2.79 2.85 3hp7A1 ASN 78 HD21 0.01 -0.05 0.02 -0.04 7.03 6.97 3hp7A1 ASN 78 HD22 0.03 -0.00 0.03 -0.04 7.74 7.75 3hp7A1 LEU 79 H -0.01 0.55 0.09 -0.55 8.37 8.45 3hp7A1 LEU 79 HA 0.01 0.16 0.78 -0.75 4.35 4.54 3hp7A1 LEU 79 HB2 0.00 -0.09 -0.03 -0.04 1.64 1.49 3hp7A1 LEU 79 HB3 0.03 0.00 -0.16 -0.04 1.64 1.48 3hp7A1 LEU 79 HG -0.09 0.11 -0.40 -0.04 1.64 1.21 3hp7A1 LEU 79 HD13 -0.06 -0.03 -0.20 -0.04 0.93 0.61 3hp7A1 LEU 79 HD23 -0.03 0.02 -0.06 -0.04 0.89 0.77 3hp7A1 SER 80 H -0.02 0.25 0.17 -0.55 8.46 8.31 3hp7A1 SER 80 HA -0.10 0.17 0.91 -0.75 4.49 4.71 3hp7A1 SER 80 HB2 -0.03 0.07 0.01 -0.04 3.95 3.95 3hp7A1 SER 80 HB3 -0.03 0.06 0.10 -0.04 3.93 4.02 3hp7A1 VAL 81 H -0.18 0.22 0.06 -0.55 8.24 7.80 3hp7A1 VAL 81 HA -0.20 0.29 0.63 -0.75 4.13 4.10 3hp7A1 VAL 81 HB -0.27 -0.03 0.01 -0.04 2.12 1.79 3hp7A1 VAL 81 HG13 -1.03 0.01 -0.25 -0.04 0.97 -0.35 3hp7A1 VAL 81 HG23 -0.22 -0.00 -0.29 -0.04 0.95 0.40 3hp7A1 GLU 82 H -0.08 0.02 -0.07 -0.55 8.60 7.92 3hp7A1 GLU 82 HA -0.05 0.00 0.22 -0.75 4.29 3.70 3hp7A1 GLU 82 HB2 -0.05 0.00 0.13 -0.04 2.09 2.13 3hp7A1 GLU 82 HB3 -0.03 0.00 0.06 -0.04 1.99 1.98 3hp7A1 GLU 82 HG2 -0.02 0.00 -0.03 -0.04 2.34 2.25 3hp7A1 GLU 82 HG3 -0.03 0.00 -0.06 -0.04 2.34 2.21 3hp7A1 ASP 83 H -0.03 0.71 0.16 -0.55 8.40 8.69 3hp7A1 ASP 83 HA -0.02 0.00 0.28 -0.75 4.63 4.14 3hp7A1 ASP 83 HB2 -0.01 0.00 -0.16 -0.04 2.71 2.49 3hp7A1 ASP 83 HB3 -0.01 0.00 0.05 -0.04 2.70 2.70 3hp7A1 ILE 85 HA -0.01 -0.10 0.33 -0.75 4.18 3.64 3hp7A1 ILE 85 HB 0.08 0.01 0.08 -0.04 1.89 2.01 3hp7A1 ILE 85 HG12 -0.01 -0.08 -0.02 -0.04 1.49 1.34 3hp7A1 ILE 85 HG13 0.03 -0.02 0.17 -0.04 1.21 1.35 3hp7A1 ILE 85 HG23 0.10 0.01 -0.33 -0.04 0.93 0.67 3hp7A1 ILE 85 HD13 0.07 0.05 -0.04 -0.04 0.88 0.92 3hp7A1 THR 86 H 0.01 0.59 0.37 -0.55 8.28 8.70 3hp7A1 THR 86 HA 0.16 0.24 1.12 -0.75 4.39 5.16 3hp7A1 THR 86 HB 0.24 -0.01 0.04 -0.04 4.32 4.55 3hp7A1 THR 86 HG23 0.02 -0.00 -0.12 -0.04 1.22 1.07 3hp7A1 ILE 87 H 0.13 0.61 0.43 -0.55 8.25 8.87 3hp7A1 ILE 87 HA 0.17 0.18 0.91 -0.75 4.18 4.68 3hp7A1 ILE 87 HB 0.04 0.08 -0.02 -0.04 1.89 1.95 3hp7A1 ILE 87 HG12 -0.12 -0.11 -0.26 -0.04 1.49 0.96 3hp7A1 ILE 87 HG13 0.10 0.11 0.07 -0.04 1.21 1.44 3hp7A1 ILE 87 HG23 -0.09 0.01 0.03 -0.04 0.93 0.85 3hp7A1 ILE 87 HD13 -0.18 -0.00 -0.10 -0.04 0.88 0.56 3hp7A1 ASP 88 H 0.08 0.80 0.27 -0.55 8.40 8.99 3hp7A1 ASP 88 HA 0.07 0.10 0.78 -0.75 4.63 4.82 3hp7A1 ASP 88 HB2 0.10 0.07 -0.13 -0.04 2.71 2.71 3hp7A1 ASP 88 HB3 0.06 -0.01 0.16 -0.04 2.70 2.86 3hp7A1 ILE 89 H -0.09 0.79 0.20 -0.55 8.25 8.60 3hp7A1 ILE 89 HA -0.13 0.07 0.78 -0.75 4.18 4.14 3hp7A1 ILE 89 HB -0.25 0.06 0.28 -0.04 1.89 1.93 3hp7A1 ILE 89 HG12 -0.88 0.00 -0.08 -0.04 1.49 0.49 3hp7A1 ILE 89 HG13 -0.35 -0.03 -0.21 -0.04 1.21 0.58 3hp7A1 ILE 89 HG23 -0.27 -0.02 -0.09 -0.04 0.93 0.51 3hp7A1 ILE 89 HD13 -0.79 0.02 -0.11 -0.04 0.88 -0.05 3hp7A1 GLY 90 H -0.04 0.47 0.33 -0.55 8.43 8.65 3hp7A1 GLY 90 HA2 -0.05 -0.12 0.47 -0.51 4.01 3.80 3hp7A1 GLY 90 HA3 -0.11 0.32 0.79 -0.51 4.01 4.50 3hp7A1 ALA 91 H -0.03 0.64 0.13 -0.55 8.40 8.60 3hp7A1 ALA 91 HA -0.08 -0.03 0.06 -0.75 4.34 3.53 3hp7A1 ALA 91 HB3 0.01 0.03 -0.11 -0.04 1.41 1.30 3hp7A1 SER 92 H -0.02 0.02 -0.26 -0.55 8.46 7.65 3hp7A1 SER 92 HA -0.01 0.03 0.19 -0.75 4.49 3.94 3hp7A1 SER 92 HB2 -0.06 0.12 -0.11 -0.04 3.95 3.86 3hp7A1 SER 92 HB3 -0.07 0.04 -0.20 -0.04 3.93 3.66 3hp7A1 THR 93 H -0.01 0.10 0.15 -0.55 8.28 7.97 3hp7A1 THR 93 HA 0.01 0.37 0.30 -0.75 4.39 4.32 3hp7A1 THR 93 HB 0.01 0.03 0.16 -0.04 4.32 4.48 3hp7A1 THR 93 HG23 0.01 0.07 0.05 -0.04 1.22 1.31 3hp7A1 GLY 94 H -0.01 0.22 -0.08 -0.55 8.43 8.02 3hp7A1 GLY 94 HA2 0.02 0.09 0.13 -0.51 4.01 3.73 3hp7A1 GLY 94 HA3 0.02 0.23 0.84 -0.51 4.01 4.59 3hp7A1 GLY 95 H 0.03 0.11 0.05 -0.55 8.43 8.06 3hp7A1 GLY 95 HA2 0.09 -0.04 0.29 -0.51 4.01 3.83 3hp7A1 GLY 95 HA3 0.11 -0.02 0.26 -0.51 4.01 3.85 3hp7A1 PHE 96 H 0.19 0.14 -0.17 -0.55 8.34 7.96 3hp7A1 PHE 96 HA -0.13 0.08 0.41 -0.75 4.62 4.23 3hp7A1 PHE 96 HB2 -0.03 -0.01 -0.08 -0.04 3.15 2.99 3hp7A1 PHE 96 HB3 -0.02 0.10 -0.16 -0.04 3.06 2.94 3hp7A1 PHE 96 HD2 -0.04 -0.10 -0.24 -0.04 7.28 6.87 3hp7A1 PHE 96 HE2 -0.02 0.15 -0.14 -0.04 7.38 7.33 3hp7A1 PHE 96 HZ -0.02 0.03 -0.10 -0.04 7.32 7.20 3hp7A1 THR 97 H 0.09 -0.00 -0.33 -0.55 8.28 7.49 3hp7A1 THR 97 HA 0.04 0.11 0.39 -0.75 4.39 4.18 3hp7A1 THR 97 HB 0.03 0.00 0.05 -0.04 4.32 4.37 3hp7A1 THR 97 HG23 0.02 0.02 -0.17 -0.04 1.22 1.05 3hp7A1 ASP 98 H 0.03 0.39 -0.22 -0.55 8.40 8.06 3hp7A1 ASP 98 HA 0.02 0.07 0.29 -0.75 4.63 4.27 3hp7A1 ASP 98 HB2 0.05 0.00 0.09 -0.04 2.71 2.82 3hp7A1 ASP 98 HB3 0.09 0.01 0.13 -0.04 2.70 2.89 3hp7A1 VAL 99 H -0.18 0.32 -0.16 -0.55 8.24 7.67 3hp7A1 VAL 99 HA -0.28 0.00 0.22 -0.75 4.13 3.31 3hp7A1 VAL 99 HB -0.32 0.14 0.12 -0.04 2.12 2.02 3hp7A1 VAL 99 HG13 -0.31 -0.01 -0.09 -0.04 0.97 0.52 3hp7A1 VAL 99 HG23 -1.15 0.04 0.05 -0.04 0.95 -0.14 3hp7A1 LEU 101 HA -0.03 -0.04 0.27 -0.75 4.35 3.80 3hp7A1 LEU 101 HB2 -0.00 0.04 0.05 -0.04 1.64 1.69 3hp7A1 LEU 101 HB3 -0.01 -0.04 -0.08 -0.04 1.64 1.47 3hp7A1 LEU 101 HG -0.01 0.20 -0.00 -0.04 1.64 1.78 3hp7A1 LEU 101 HD13 -0.00 -0.04 -0.11 -0.04 0.93 0.74 3hp7A1 LEU 101 HD23 -0.02 -0.02 -0.13 -0.04 0.89 0.68 3hp7A1 GLN 102 H 0.01 0.71 -0.64 -0.55 8.47 8.00 3hp7A1 GLN 102 HA 0.00 0.03 0.46 -0.75 4.36 4.10 3hp7A1 GLN 102 HB2 0.11 0.07 0.06 -0.04 2.15 2.34 3hp7A1 GLN 102 HB3 0.06 -0.06 0.06 -0.04 2.02 2.03 3hp7A1 GLN 102 HG2 0.03 -0.04 -0.00 -0.04 2.40 2.34 3hp7A1 GLN 102 HG3 0.08 0.16 -0.00 -0.04 2.39 2.58 3hp7A1 GLN 102 HE21 0.00 0.38 -0.01 -0.04 6.97 7.30 3hp7A1 GLN 102 HE22 0.11 -0.09 -0.05 -0.04 7.69 7.62 3hp7A1 ASN 103 H -0.05 0.37 0.11 -0.55 8.53 8.42 3hp7A1 ASN 103 HA -0.04 0.18 0.79 -0.75 4.76 4.94 3hp7A1 ASN 103 HB2 -0.12 0.09 0.00 -0.04 2.88 2.82 3hp7A1 ASN 103 HB3 -0.11 -0.14 0.13 -0.04 2.79 2.63 3hp7A1 ASN 103 HD21 -0.02 -0.09 -0.06 -0.04 7.03 6.82 3hp7A1 ASN 103 HD22 -0.08 0.44 0.03 -0.04 7.74 8.09 3hp7A1 GLY 104 H -0.04 0.54 -0.39 -0.55 8.43 7.99 3hp7A1 GLY 104 HA2 -0.03 0.12 0.21 -0.51 4.01 3.79 3hp7A1 GLY 104 HA3 -0.04 0.01 0.38 -0.51 4.01 3.85 3hp7A1 ALA 105 H -0.07 0.07 -0.26 -0.55 8.40 7.59 3hp7A1 ALA 105 HA -0.06 0.25 0.43 -0.75 4.34 4.20 3hp7A1 ALA 105 HB3 -0.06 0.02 -0.08 -0.04 1.41 1.25 3hp7A1 LYS 106 H -0.03 0.16 0.20 -0.55 8.42 8.20 3hp7A1 LYS 106 HA -0.03 0.00 0.64 -0.75 4.32 4.18 3hp7A1 LYS 106 HB2 -0.02 0.00 0.11 -0.04 1.87 1.92 3hp7A1 LYS 106 HB3 -0.02 0.00 -0.19 -0.04 1.79 1.54 3hp7A1 LYS 106 HG2 -0.02 0.00 -0.20 -0.04 1.46 1.19 3hp7A1 LYS 106 HG3 -0.02 -0.05 0.06 -0.04 1.46 1.41 3hp7A1 LYS 106 HD2 -0.00 0.00 0.00 -0.04 1.69 1.65 3hp7A1 LYS 106 HD3 -0.01 -0.02 0.04 -0.04 1.68 1.65 3hp7A1 LYS 106 HE2 0.00 0.19 -0.08 -0.04 2.99 3.07 3hp7A1 LYS 106 HE3 -0.00 -0.01 -0.05 -0.04 2.99 2.89 3hp7A1 LEU 107 H -0.05 0.22 0.04 -0.55 8.37 8.03 3hp7A1 LEU 107 HA -0.09 0.00 0.78 -0.75 4.35 4.29 3hp7A1 LEU 107 HB2 -0.09 0.00 -0.27 -0.04 1.64 1.24 3hp7A1 LEU 107 HB3 -0.15 -0.05 -0.01 -0.04 1.64 1.39 3hp7A1 LEU 107 HG -0.39 0.00 -0.20 -0.04 1.64 1.01 3hp7A1 LEU 107 HD13 -0.10 0.01 -0.06 -0.04 0.93 0.74 3hp7A1 LEU 107 HD23 -0.31 0.01 -0.11 -0.04 0.89 0.43 3hp7A1 VAL 108 H -0.10 0.74 0.31 -0.55 8.24 8.64 3hp7A1 VAL 108 HA -0.02 0.25 0.89 -0.75 4.13 4.49 3hp7A1 VAL 108 HB -0.01 -0.05 0.05 -0.04 2.12 2.08 3hp7A1 VAL 108 HG13 0.05 -0.04 -0.36 -0.04 0.97 0.58 3hp7A1 VAL 108 HG23 -0.01 0.04 -0.19 -0.04 0.95 0.75 3hp7A1 TYR 109 H 0.10 0.72 0.28 -0.55 8.29 8.84 3hp7A1 TYR 109 HA 0.06 0.22 0.92 -0.75 4.56 5.02 3hp7A1 TYR 109 HB2 0.12 -0.08 0.29 -0.04 3.06 3.35 3hp7A1 TYR 109 HB3 0.21 0.02 0.05 -0.04 2.98 3.21 3hp7A1 TYR 109 HD2 0.08 0.05 0.01 -0.04 7.15 7.25 3hp7A1 TYR 109 HE2 0.10 0.07 -0.06 -0.04 6.85 6.93 3hp7A1 ALA 110 H 0.11 0.69 0.15 -0.55 8.40 8.81 3hp7A1 ALA 110 HA 0.06 0.04 0.76 -0.75 4.34 4.46 3hp7A1 ALA 110 HB3 0.04 -0.02 -0.02 -0.04 1.41 1.38 3hp7A1 VAL 111 H 0.03 0.69 0.35 -0.55 8.24 8.77 3hp7A1 VAL 111 HA 0.02 0.25 0.76 -0.75 4.13 4.40 3hp7A1 VAL 111 HB 0.02 -0.05 0.15 -0.04 2.12 2.20 3hp7A1 VAL 111 HG13 0.23 -0.02 -0.16 -0.04 0.97 0.98 3hp7A1 VAL 111 HG23 0.05 0.05 -0.20 -0.04 0.95 0.80 3hp7A1 ASP 112 H 0.10 0.48 0.31 -0.55 8.40 8.74 3hp7A1 ASP 112 HA 0.05 -0.02 0.80 -0.75 4.63 4.71 3hp7A1 ASP 112 HB2 0.03 -0.02 -0.22 -0.04 2.71 2.45 3hp7A1 ASP 112 HB3 0.04 0.13 -0.00 -0.04 2.70 2.83 3hp7A1 VAL 113 H 0.06 0.08 0.22 -0.55 8.24 8.05 3hp7A1 VAL 113 HA 0.10 0.11 0.41 -0.75 4.13 3.99 3hp7A1 VAL 113 HB 0.06 -0.05 0.11 -0.04 2.12 2.21 3hp7A1 VAL 113 HG13 0.03 -0.00 -0.04 -0.04 0.97 0.92 3hp7A1 VAL 113 HG23 0.04 0.02 -0.09 -0.04 0.95 0.88 3hp7A1 GLY 114 H 0.04 -0.10 -0.14 -0.55 8.43 7.68 3hp7A1 GLY 114 HA2 0.03 0.18 0.46 -0.51 4.01 4.18 3hp7A1 GLY 114 HA3 0.03 0.01 0.25 -0.51 4.01 3.79 3hp7A1 THR 115 H 0.02 0.24 0.12 -0.55 8.28 8.11 3hp7A1 THR 115 HA 0.03 0.15 0.82 -0.75 4.39 4.64 3hp7A1 THR 115 HB 0.02 0.01 0.07 -0.04 4.32 4.38 3hp7A1 THR 115 HG23 0.02 0.03 -0.10 -0.04 1.22 1.13 3hp7A1 ASN 116 H 0.04 0.20 0.10 -0.55 8.53 8.32 3hp7A1 ASN 116 HA 0.05 0.04 0.26 -0.75 4.76 4.35 3hp7A1 ASN 116 HB2 0.03 0.03 -0.40 -0.04 2.88 2.49 3hp7A1 ASN 116 HB3 0.04 0.03 0.18 -0.04 2.79 3.00 3hp7A1 ASN 116 HD21 0.03 0.05 -0.00 -0.04 7.03 7.07 3hp7A1 ASN 116 HD22 0.04 -0.07 0.06 -0.04 7.74 7.72 3hp7A1 GLN 117 H 0.04 -0.03 -0.20 -0.55 8.47 7.73 3hp7A1 GLN 117 HA 0.03 0.25 0.73 -0.75 4.36 4.62 3hp7A1 GLN 117 HB2 0.02 -0.01 -0.16 -0.04 2.15 1.97 3hp7A1 GLN 117 HB3 0.02 -0.13 -0.35 -0.04 2.02 1.51 3hp7A1 GLN 117 HG2 0.03 0.00 -0.50 -0.04 2.40 1.89 3hp7A1 GLN 117 HG3 0.02 -0.14 -0.16 -0.04 2.39 2.07 3hp7A1 GLN 117 HE21 0.02 -0.01 -0.07 -0.04 6.97 6.87 3hp7A1 GLN 117 HE22 0.02 0.49 -0.18 -0.04 7.69 7.98 3hp7A1 LEU 118 H 0.04 -0.05 -0.02 -0.55 8.37 7.80 3hp7A1 LEU 118 HA 0.03 0.08 0.37 -0.75 4.35 4.07 3hp7A1 LEU 118 HB2 0.04 0.00 0.01 -0.04 1.64 1.65 3hp7A1 LEU 118 HB3 0.05 -0.01 0.03 -0.04 1.64 1.67 3hp7A1 LEU 118 HG 0.04 0.09 -0.15 -0.04 1.64 1.58 3hp7A1 LEU 118 HD13 0.02 0.00 -0.23 -0.04 0.93 0.69 3hp7A1 LEU 118 HD23 0.04 0.01 -0.17 -0.04 0.89 0.74 3hp7A1 VAL 119 H 0.01 0.39 0.28 -0.55 8.24 8.38 3hp7A1 VAL 119 HA 0.06 0.16 0.55 -0.75 4.13 4.14 3hp7A1 VAL 119 HB -0.12 -0.08 0.13 -0.04 2.12 2.00 3hp7A1 VAL 119 HG13 -0.01 0.06 0.14 -0.04 0.97 1.12 3hp7A1 VAL 119 HG23 -0.07 -0.02 0.08 -0.04 0.95 0.90 3hp7A1 TRP 120 H 0.18 0.20 0.17 -0.55 7.97 7.96 3hp7A1 TRP 120 HA 0.01 0.13 0.12 -0.75 4.62 4.13 3hp7A1 TRP 120 HB2 0.01 0.07 0.05 -0.04 3.23 3.31 3hp7A1 TRP 120 HB3 0.01 0.08 0.11 -0.04 3.23 3.39 3hp7A1 TRP 120 HD1 0.01 0.03 0.06 -0.04 7.22 7.29 3hp7A1 TRP 120 HE1 0.01 0.03 0.01 -0.04 10.20 10.21 3hp7A1 TRP 120 HE3 0.01 -0.02 -0.40 -0.04 7.59 7.14 3hp7A1 TRP 120 HZ2 0.01 0.03 -0.02 -0.04 7.44 7.42 3hp7A1 TRP 120 HZ3 0.01 0.05 -0.07 -0.04 7.13 7.07 3hp7A1 TRP 120 HH2 0.01 0.04 -0.03 -0.04 7.19 7.17 3hp7A1 LYS 121 H -0.69 0.07 -0.16 -0.55 8.42 7.08 3hp7A1 LYS 121 HA -0.23 0.00 0.38 -0.75 4.32 3.71 3hp7A1 LYS 121 HB2 -0.45 0.00 0.04 -0.04 1.87 1.42 3hp7A1 LYS 121 HB3 -0.29 0.00 -0.02 -0.04 1.79 1.44 3hp7A1 LYS 121 HG2 -2.23 -0.04 -0.00 -0.04 1.46 -0.85 3hp7A1 LYS 121 HG3 -0.80 0.01 0.01 -0.04 1.46 0.65 3hp7A1 LYS 121 HD2 -0.26 0.02 -0.00 -0.04 1.69 1.41 3hp7A1 LYS 121 HD3 -0.30 0.03 0.01 -0.04 1.68 1.38 3hp7A1 LYS 121 HE2 -0.35 -0.01 -0.02 -0.04 2.99 2.58 3hp7A1 LYS 121 HE3 -0.24 0.01 -0.01 -0.04 2.99 2.70 3hp7A1 LEU 122 H -0.07 0.19 -0.34 -0.55 8.37 7.60 3hp7A1 LEU 122 HA -0.01 0.15 0.66 -0.75 4.35 4.40 3hp7A1 LEU 122 HB2 0.00 0.09 0.08 -0.04 1.64 1.77 3hp7A1 LEU 122 HB3 0.01 0.01 -0.05 -0.04 1.64 1.57 3hp7A1 LEU 122 HG -0.05 -0.10 -0.05 -0.04 1.64 1.39 3hp7A1 LEU 122 HD13 0.00 -0.00 0.06 -0.04 0.93 0.95 3hp7A1 LEU 122 HD23 -0.01 0.03 -0.11 -0.04 0.89 0.76 3hp7A1 ARG 123 H 0.08 0.47 -0.05 -0.55 8.46 8.40 3hp7A1 ARG 123 HA 0.06 -0.02 0.31 -0.75 4.34 3.94 3hp7A1 ARG 123 HB2 0.10 -0.00 -0.11 -0.04 1.90 1.85 3hp7A1 ARG 123 HB3 0.17 0.01 0.00 -0.04 1.80 1.94 3hp7A1 ARG 123 HG2 0.08 0.07 -0.17 -0.04 1.67 1.61 3hp7A1 ARG 123 HG3 0.07 -0.05 -0.01 -0.04 1.67 1.63 3hp7A1 ARG 123 HD2 0.10 -0.01 -0.08 -0.04 3.22 3.19 3hp7A1 ARG 123 HD3 0.06 0.02 -0.05 -0.04 3.22 3.21 3hp7A1 GLN 124 H 0.16 0.43 -0.35 -0.55 8.47 8.16 3hp7A1 GLN 124 HA 0.09 0.18 0.60 -0.75 4.36 4.47 3hp7A1 GLN 124 HB2 0.29 0.02 0.01 -0.04 2.15 2.43 3hp7A1 GLN 124 HB3 0.15 -0.04 0.10 -0.04 2.02 2.19 3hp7A1 GLN 124 HG2 0.11 0.03 -0.07 -0.04 2.40 2.43 3hp7A1 GLN 124 HG3 0.26 0.00 -0.00 -0.04 2.39 2.61 3hp7A1 GLN 124 HE21 -0.24 -0.01 -0.03 -0.04 6.97 6.65 3hp7A1 GLN 124 HE22 0.01 -0.03 -0.03 -0.04 7.69 7.60 3hp7A1 ASP 125 H 0.06 0.31 -0.49 -0.55 8.40 7.73 3hp7A1 ASP 125 HA 0.04 0.01 0.52 -0.75 4.63 4.44 3hp7A1 ASP 125 HB2 0.01 0.18 0.23 -0.04 2.71 3.09 3hp7A1 ASP 125 HB3 0.02 0.05 0.14 -0.04 2.70 2.87 3hp7A1 ASP 126 H 0.02 0.12 0.22 -0.55 8.40 8.22 3hp7A1 ASP 126 HA 0.02 0.00 0.42 -0.75 4.63 4.31 3hp7A1 ASP 126 HB2 0.01 0.00 0.11 -0.04 2.71 2.79 3hp7A1 ASP 126 HB3 0.01 0.00 0.09 -0.04 2.70 2.75 3hp7A1 ARG 127 H -0.00 -0.01 -0.42 -0.55 8.46 7.48 3hp7A1 ARG 127 HA -0.03 0.00 0.71 -0.75 4.34 4.27 3hp7A1 ARG 127 HB2 -0.02 0.00 -0.07 -0.04 1.90 1.78 3hp7A1 ARG 127 HB3 -0.03 0.00 -0.09 -0.04 1.80 1.64 3hp7A1 ARG 127 HG2 -0.02 0.19 0.03 -0.04 1.67 1.83 3hp7A1 ARG 127 HG3 -0.01 0.00 -0.07 -0.04 1.67 1.54 3hp7A1 ARG 127 HD2 -0.02 0.00 -0.03 -0.04 3.22 3.13 3hp7A1 ARG 127 HD3 -0.01 0.00 -0.01 -0.04 3.22 3.15 3hp7A1 VAL 128 H -0.00 0.61 -0.25 -0.55 8.24 8.04 3hp7A1 VAL 128 HA -0.03 0.15 0.97 -0.75 4.13 4.46 3hp7A1 VAL 128 HB 0.02 0.26 0.09 -0.04 2.12 2.45 3hp7A1 VAL 128 HG13 0.03 -0.06 -0.25 -0.04 0.97 0.64 3hp7A1 VAL 128 HG23 0.00 -0.07 -0.15 -0.04 0.95 0.69 3hp7A1 ARG 129 H -0.01 0.66 0.30 -0.55 8.46 8.86 3hp7A1 ARG 129 HA 0.03 0.20 0.85 -0.75 4.34 4.67 3hp7A1 ARG 129 HB2 0.10 -0.09 0.21 -0.04 1.90 2.07 3hp7A1 ARG 129 HB3 0.12 0.05 0.09 -0.04 1.80 2.02 3hp7A1 ARG 129 HG2 -0.10 -0.05 -0.31 -0.04 1.67 1.17 3hp7A1 ARG 129 HG3 -0.01 -0.04 -0.06 -0.04 1.67 1.53 3hp7A1 ARG 129 HD2 0.04 -0.02 0.02 -0.04 3.22 3.22 3hp7A1 ARG 129 HD3 0.01 0.24 -0.00 -0.04 3.22 3.43 3hp7A1 SER 130 H 0.04 0.27 0.01 -0.55 8.46 8.24 3hp7A1 SER 130 HA 0.05 0.13 0.55 -0.75 4.49 4.47 3hp7A1 SER 130 HB2 0.05 -0.05 0.05 -0.04 3.95 3.95 3hp7A1 SER 130 HB3 0.05 0.06 0.10 -0.04 3.93 4.09 3hp7A1 GLU 132 HA 0.08 -0.04 0.43 -0.75 4.29 4.01 3hp7A1 GLU 132 HB2 0.05 0.01 0.06 -0.04 2.09 2.17 3hp7A1 GLU 132 HB3 0.05 0.15 0.20 -0.04 1.99 2.35 3hp7A1 GLU 132 HG2 0.05 -0.08 0.05 -0.04 2.34 2.32 3hp7A1 GLU 132 HG3 0.05 0.05 0.06 -0.04 2.34 2.46 3hp7A1 GLN 133 H 0.07 0.46 0.09 -0.55 8.47 8.55 3hp7A1 GLN 133 HA 0.06 0.19 0.27 -0.75 4.36 4.12 3hp7A1 GLN 133 HB2 0.06 0.17 0.13 -0.04 2.15 2.47 3hp7A1 GLN 133 HB3 0.04 -0.06 0.19 -0.04 2.02 2.15 3hp7A1 GLN 133 HG2 0.04 -0.01 -0.10 -0.04 2.40 2.28 3hp7A1 GLN 133 HG3 0.04 -0.08 -0.20 -0.04 2.39 2.11 3hp7A1 GLN 133 HE21 0.02 -0.02 -0.01 -0.04 6.97 6.92 3hp7A1 GLN 133 HE22 0.03 0.09 -0.05 -0.04 7.69 7.72 3hp7A1 TYR 134 H 0.18 0.43 -0.08 -0.55 8.29 8.28 3hp7A1 TYR 134 HA 0.05 0.16 0.68 -0.75 4.56 4.69 3hp7A1 TYR 134 HB2 0.04 0.27 -0.22 -0.04 3.06 3.10 3hp7A1 TYR 134 HB3 0.08 -0.21 -0.03 -0.04 2.98 2.78 3hp7A1 TYR 134 HD2 0.08 -0.05 -0.34 -0.04 7.15 6.80 3hp7A1 TYR 134 HE2 0.03 -0.01 -0.14 -0.04 6.85 6.68 3hp7A1 ASN 135 H -0.19 0.30 0.05 -0.55 8.53 8.15 3hp7A1 ASN 135 HA 0.08 0.03 0.76 -0.75 4.76 4.88 3hp7A1 ASN 135 HB2 0.05 0.10 0.03 -0.04 2.88 3.01 3hp7A1 ASN 135 HB3 0.11 0.06 0.17 -0.04 2.79 3.09 3hp7A1 ASN 135 HD21 0.03 0.02 -0.02 -0.04 7.03 7.03 3hp7A1 ASN 135 HD22 0.15 0.08 -0.00 -0.04 7.74 7.93 3hp7A1 PHE 136 H 0.24 0.17 0.06 -0.55 8.34 8.26 3hp7A1 PHE 136 HA 0.26 0.14 0.14 -0.75 4.62 4.41 3hp7A1 PHE 136 HB2 0.17 -0.01 0.00 -0.04 3.15 3.27 3hp7A1 PHE 136 HB3 0.03 -0.02 0.00 -0.04 3.06 3.03 3hp7A1 PHE 136 HD2 0.13 -0.01 -0.13 -0.04 7.28 7.22 3hp7A1 PHE 136 HE2 -0.02 0.07 -0.14 -0.04 7.38 7.25 3hp7A1 PHE 136 HZ -0.05 0.08 -0.22 -0.04 7.32 7.08 3hp7A1 ARG 137 H -0.14 -0.01 -0.34 -0.55 8.46 7.41 3hp7A1 ARG 137 HA -0.25 0.00 0.49 -0.75 4.34 3.83 3hp7A1 ARG 137 HB2 -0.26 0.00 0.07 -0.04 1.90 1.67 3hp7A1 ARG 137 HB3 -0.63 0.00 0.01 -0.04 1.80 1.14 3hp7A1 ARG 137 HG2 -0.91 0.05 -0.16 -0.04 1.67 0.60 3hp7A1 ARG 137 HG3 -0.33 0.10 0.11 -0.04 1.67 1.51 3hp7A1 ARG 137 HD2 -0.24 0.00 0.00 -0.04 3.22 2.95 3hp7A1 ARG 137 HD3 -0.58 -0.02 -0.04 -0.04 3.22 2.54 3hp7A1 TYR 138 H -0.33 0.42 -0.37 -0.55 8.29 7.46 3hp7A1 TYR 138 HA -0.14 0.18 0.63 -0.75 4.56 4.48 3hp7A1 TYR 138 HB2 -0.23 0.06 0.06 -0.04 3.06 2.91 3hp7A1 TYR 138 HB3 -0.15 0.01 0.11 -0.04 2.98 2.92 3hp7A1 TYR 138 HD2 -0.11 0.06 -0.04 -0.04 7.15 7.02 3hp7A1 TYR 138 HE2 -0.06 0.01 -0.04 -0.04 6.85 6.71 3hp7A1 ALA 139 H -0.37 0.41 -0.32 -0.55 8.40 7.58 3hp7A1 ALA 139 HA 0.04 -0.05 0.25 -0.75 4.34 3.82 3hp7A1 ALA 139 HB3 -0.38 -0.02 -0.05 -0.04 1.41 0.92 3hp7A1 GLU 140 H 0.13 0.13 0.18 -0.55 8.60 8.50 3hp7A1 GLU 140 HA 0.04 0.29 0.74 -0.75 4.29 4.60 3hp7A1 GLU 140 HB2 0.03 -0.08 0.07 -0.04 2.09 2.07 3hp7A1 GLU 140 HB3 0.03 -0.05 0.07 -0.04 1.99 2.00 3hp7A1 GLU 140 HG2 -0.00 0.19 -0.32 -0.04 2.34 2.17 3hp7A1 GLU 140 HG3 -0.00 -0.06 -0.03 -0.04 2.34 2.22 3hp7A1 PRO 141 HA 0.25 0.09 0.32 -0.51 4.44 4.58 3hp7A1 PRO 141 HB2 0.07 -0.00 0.03 -0.04 2.28 2.33 3hp7A1 PRO 141 HB3 0.06 0.21 0.17 -0.04 2.02 2.42 3hp7A1 PRO 141 HG2 0.04 -0.05 0.11 -0.04 2.03 2.09 3hp7A1 PRO 141 HG3 0.03 0.21 0.14 -0.04 2.03 2.37 3hp7A1 PRO 141 HD2 0.04 0.05 0.22 -0.04 3.68 3.94 3hp7A1 PRO 141 HD3 0.04 0.24 0.10 -0.04 3.65 3.99 3hp7A1 VAL 142 H 0.06 0.10 -0.27 -0.55 8.24 7.58 3hp7A1 VAL 142 HA 0.04 0.12 0.28 -0.75 4.13 3.81 3hp7A1 VAL 142 HB 0.02 -0.00 0.05 -0.04 2.12 2.15 3hp7A1 VAL 142 HG13 0.00 -0.01 -0.13 -0.04 0.97 0.79 3hp7A1 VAL 142 HG23 0.01 0.01 0.00 -0.04 0.95 0.93 3hp7A1 ASP 143 H 0.01 0.44 -0.45 -0.55 8.40 7.86 3hp7A1 ASP 143 HA -0.15 0.05 0.31 -0.75 4.63 4.09 3hp7A1 ASP 143 HB2 -0.53 0.12 0.02 -0.04 2.71 2.28 3hp7A1 ASP 143 HB3 -0.41 -0.04 0.04 -0.04 2.70 2.25 3hp7A1 PHE 144 H 0.02 0.52 -0.52 -0.55 8.34 7.81 3hp7A1 PHE 144 HA -0.31 0.03 0.67 -0.75 4.62 4.26 3hp7A1 PHE 144 HB2 -0.14 0.12 0.13 -0.04 3.15 3.22 3hp7A1 PHE 144 HB3 -0.49 0.07 0.01 -0.04 3.06 2.62 3hp7A1 PHE 144 HD2 -0.98 0.05 -0.05 -0.04 7.28 6.26 3hp7A1 PHE 144 HE2 -0.15 -0.06 -0.13 -0.04 7.38 7.00 3hp7A1 PHE 144 HZ -0.00 -0.09 -0.13 -0.04 7.32 7.06 3hp7A1 THR 145 H 0.08 0.20 0.05 -0.55 8.28 8.06 3hp7A1 THR 145 HA 0.08 0.18 0.25 -0.75 4.39 4.15 3hp7A1 THR 145 HB 0.05 -0.02 0.10 -0.04 4.32 4.41 3hp7A1 THR 145 HG23 0.00 0.05 -0.07 -0.04 1.22 1.16 3hp7A1 GLU 146 H 0.33 0.10 -0.22 -0.55 8.60 8.27 3hp7A1 GLU 146 HA 0.10 0.19 0.81 -0.75 4.29 4.63 3hp7A1 GLU 146 HB2 0.11 -0.01 0.02 -0.04 2.09 2.16 3hp7A1 GLU 146 HB3 0.04 0.01 0.14 -0.04 1.99 2.14 3hp7A1 GLU 146 HG2 0.06 0.06 -0.08 -0.04 2.34 2.35 3hp7A1 GLU 146 HG3 0.10 -0.11 -0.23 -0.04 2.34 2.07 3hp7A1 GLY 147 H 0.19 0.18 -0.49 -0.55 8.43 7.76 3hp7A1 GLY 147 HA2 0.11 -0.04 0.31 -0.51 4.01 3.88 3hp7A1 GLY 147 HA3 0.12 0.21 0.78 -0.51 4.01 4.62 3hp7A1 LEU 148 H 0.09 0.07 0.12 -0.55 8.37 8.10 3hp7A1 LEU 148 HA 0.07 0.11 0.61 -0.75 4.35 4.38 3hp7A1 LEU 148 HB2 0.04 -0.12 0.10 -0.04 1.64 1.62 3hp7A1 LEU 148 HB3 0.01 0.33 0.13 -0.04 1.64 2.06 3hp7A1 LEU 148 HG 0.07 -0.11 0.06 -0.04 1.64 1.62 3hp7A1 LEU 148 HD13 0.03 0.01 -0.02 -0.04 0.93 0.91 3hp7A1 LEU 148 HD23 0.05 0.02 0.08 -0.04 0.89 1.00 3hp7A1 PRO 149 HA 0.11 0.19 0.41 -0.51 4.44 4.65 3hp7A1 PRO 149 HB2 0.07 0.01 -0.10 -0.04 2.28 2.22 3hp7A1 PRO 149 HB3 0.17 -0.01 -0.32 -0.04 2.02 1.81 3hp7A1 PRO 149 HG2 -0.06 -0.03 -0.12 -0.04 2.03 1.78 3hp7A1 PRO 149 HG3 -0.16 -0.05 -0.10 -0.04 2.03 1.68 3hp7A1 PRO 149 HD2 -0.13 0.33 0.16 -0.04 3.68 4.00 3hp7A1 PRO 149 HD3 -0.12 0.13 0.14 -0.04 3.65 3.75 3hp7A1 SER 150 H 0.10 0.70 0.37 -0.55 8.46 9.07 3hp7A1 SER 150 HA 0.06 0.08 0.99 -0.75 4.49 4.87 3hp7A1 SER 150 HB2 0.07 -0.04 0.16 -0.04 3.95 4.10 3hp7A1 SER 150 HB3 0.06 0.02 0.03 -0.04 3.93 4.00 3hp7A1 PHE 151 H 0.17 0.30 0.27 -0.55 8.34 8.52 3hp7A1 PHE 151 HA 0.03 0.33 0.86 -0.75 4.62 5.09 3hp7A1 PHE 151 HB2 0.01 0.10 -0.06 -0.04 3.15 3.15 3hp7A1 PHE 151 HB3 0.00 -0.07 0.06 -0.04 3.06 3.01 3hp7A1 PHE 151 HD2 -0.00 -0.02 -0.19 -0.04 7.28 7.03 3hp7A1 PHE 151 HE2 -0.05 -0.05 -0.24 -0.04 7.38 7.00 3hp7A1 PHE 151 HZ -0.06 -0.06 -0.18 -0.04 7.32 6.98 3hp7A1 ALA 152 H -0.71 0.63 0.38 -0.55 8.40 8.15 3hp7A1 ALA 152 HA -0.05 0.26 1.09 -0.75 4.34 4.88 3hp7A1 ALA 152 HB3 -0.16 -0.00 -0.06 -0.04 1.41 1.14 3hp7A1 SER 153 H 0.02 0.58 0.42 -0.55 8.46 8.94 3hp7A1 SER 153 HA -0.02 0.34 0.99 -0.75 4.49 5.04 3hp7A1 SER 153 HB2 0.40 -0.03 0.05 -0.04 3.95 4.33 3hp7A1 SER 153 HB3 0.27 0.04 0.03 -0.04 3.93 4.23 3hp7A1 ILE 154 H 0.06 0.60 0.37 -0.55 8.25 8.74 3hp7A1 ILE 154 HA -0.08 0.23 1.03 -0.75 4.18 4.60 3hp7A1 ILE 154 HB -0.04 -0.09 0.18 -0.04 1.89 1.89 3hp7A1 ILE 154 HG12 -0.20 0.04 -0.19 -0.04 1.49 1.10 3hp7A1 ILE 154 HG13 -0.13 -0.00 -0.48 -0.04 1.21 0.55 3hp7A1 ILE 154 HG23 -0.07 -0.03 -0.13 -0.04 0.93 0.66 3hp7A1 ILE 154 HD13 -0.14 -0.01 -0.16 -0.04 0.88 0.53 3hp7A1 ASP 155 H -0.13 0.72 0.08 -0.55 8.40 8.52 3hp7A1 ASP 155 HA -0.05 0.08 0.73 -0.75 4.63 4.63 3hp7A1 ASP 155 HB2 -0.32 -0.00 -0.13 -0.04 2.71 2.21 3hp7A1 ASP 155 HB3 -0.56 0.04 0.12 -0.04 2.70 2.26 3hp7A1 VAL 156 H -0.06 0.24 0.11 -0.55 8.24 7.99 3hp7A1 VAL 156 HA -0.11 0.16 0.97 -0.75 4.13 4.39 3hp7A1 VAL 156 HB -0.08 0.06 0.00 -0.04 2.12 2.06 3hp7A1 VAL 156 HG13 -0.07 -0.02 -0.24 -0.04 0.97 0.61 3hp7A1 VAL 156 HG23 -0.05 0.01 -0.17 -0.04 0.95 0.70 3hp7A1 SER 157 H -0.19 0.18 0.19 -0.55 8.46 8.10 3hp7A1 SER 157 HA -0.87 0.17 0.92 -0.75 4.49 3.96 3hp7A1 SER 157 HB2 -0.34 0.00 0.07 -0.04 3.95 3.63 3hp7A1 SER 157 HB3 -1.42 0.04 0.08 -0.04 3.93 2.59 3hp7A1 PHE 158 H -3.42 0.16 0.14 -0.55 8.34 4.66 3hp7A1 PHE 158 HA -0.60 0.06 0.29 -0.75 4.62 3.62 3hp7A1 PHE 158 HB2 -0.24 0.15 -0.07 -0.04 3.15 2.95 3hp7A1 PHE 158 HB3 -0.17 0.03 0.16 -0.04 3.06 3.04 3hp7A1 PHE 158 HD2 -0.08 0.04 -0.10 -0.04 7.28 7.10 3hp7A1 PHE 158 HE2 0.05 0.03 -0.02 -0.04 7.38 7.40 3hp7A1 PHE 158 HZ 0.03 0.04 -0.01 -0.04 7.32 7.33 3hp7A1 ILE 159 H -0.41 0.19 -0.32 -0.55 8.25 7.16 3hp7A1 ILE 159 HA -0.02 0.13 0.65 -0.75 4.18 4.19 3hp7A1 ILE 159 HB -0.05 0.13 -0.29 -0.04 1.89 1.64 3hp7A1 ILE 159 HG12 -0.04 0.10 -0.05 -0.04 1.49 1.46 3hp7A1 ILE 159 HG13 -0.03 0.02 0.10 -0.04 1.21 1.26 3hp7A1 ILE 159 HG23 -0.08 -0.01 -0.31 -0.04 0.93 0.50 3hp7A1 ILE 159 HD13 -0.05 -0.01 -0.07 -0.04 0.88 0.71 3hp7A1 SER 160 H 0.01 0.15 0.14 -0.55 8.46 8.22 3hp7A1 SER 160 HA 0.11 0.19 0.68 -0.75 4.49 4.72 3hp7A1 SER 160 HB2 0.08 0.27 0.17 -0.04 3.95 4.43 3hp7A1 SER 160 HB3 -0.00 -0.02 0.13 -0.04 3.93 3.99 3hp7A1 LEU 161 H 0.17 0.22 0.14 -0.55 8.37 8.35 3hp7A1 LEU 161 HA 0.05 0.07 0.46 -0.75 4.35 4.19 3hp7A1 LEU 161 HB2 0.39 0.01 0.05 -0.04 1.64 2.05 3hp7A1 LEU 161 HB3 0.21 0.04 0.02 -0.04 1.64 1.88 3hp7A1 LEU 161 HG 0.11 -0.01 0.07 -0.04 1.64 1.77 3hp7A1 LEU 161 HD13 0.06 0.05 -0.11 -0.04 0.93 0.89 3hp7A1 LEU 161 HD23 0.01 0.02 -0.04 -0.04 0.89 0.85 3hp7A1 ASN 162 H -0.07 0.06 -0.35 -0.55 8.53 7.62 3hp7A1 ASN 162 HA -0.67 0.13 0.43 -0.75 4.76 3.89 3hp7A1 ASN 162 HB2 -0.90 -0.01 0.05 -0.04 2.88 1.98 3hp7A1 ASN 162 HB3 -0.24 -0.02 -0.02 -0.04 2.79 2.47 3hp7A1 ASN 162 HD21 -0.06 0.05 -0.07 -0.04 7.03 6.91 3hp7A1 ASN 162 HD22 -0.11 -0.03 -0.14 -0.04 7.74 7.41 3hp7A1 LEU 163 H -0.10 0.36 -0.34 -0.55 8.37 7.74 3hp7A1 LEU 163 HA -0.15 0.20 0.67 -0.75 4.35 4.32 3hp7A1 LEU 163 HB2 -0.07 0.07 0.05 -0.04 1.64 1.66 3hp7A1 LEU 163 HB3 -0.11 -0.03 0.08 -0.04 1.64 1.54 3hp7A1 LEU 163 HG -0.08 -0.09 -0.08 -0.04 1.64 1.36 3hp7A1 LEU 163 HD13 -0.04 -0.01 0.03 -0.04 0.93 0.86 3hp7A1 LEU 163 HD23 -0.08 0.04 -0.02 -0.04 0.89 0.79 3hp7A1 ILE 164 H -0.06 0.24 -0.27 -0.55 8.25 7.61 3hp7A1 ILE 164 HA 0.08 0.15 0.81 -0.75 4.18 4.46 3hp7A1 ILE 164 HB -0.00 0.02 0.07 -0.04 1.89 1.95 3hp7A1 ILE 164 HG12 -0.01 0.06 -0.21 -0.04 1.49 1.28 3hp7A1 ILE 164 HG13 -0.01 -0.03 -0.16 -0.04 1.21 0.97 3hp7A1 ILE 164 HG23 0.02 -0.01 -0.19 -0.04 0.93 0.71 3hp7A1 ILE 164 HD13 0.07 0.01 -0.19 -0.04 0.88 0.74 3hp7A1 LEU 165 H -0.06 0.51 0.07 -0.55 8.37 8.34 3hp7A1 LEU 165 HA -0.05 -0.00 0.22 -0.75 4.35 3.77 3hp7A1 LEU 165 HB2 0.08 0.09 0.03 -0.04 1.64 1.80 3hp7A1 LEU 165 HB3 0.09 0.07 -0.06 -0.04 1.64 1.70 3hp7A1 LEU 165 HG 0.04 0.00 0.01 -0.04 1.64 1.65 3hp7A1 LEU 165 HD13 0.15 -0.00 -0.12 -0.04 0.93 0.92 3hp7A1 LEU 165 HD23 -0.47 -0.01 -0.14 -0.04 0.89 0.23 3hp7A1 PRO 166 HA -0.10 0.16 0.49 -0.51 4.44 4.47 3hp7A1 PRO 166 HB2 -0.21 0.06 -0.03 -0.04 2.28 2.05 3hp7A1 PRO 166 HB3 -0.29 0.06 0.07 -0.04 2.02 1.81 3hp7A1 PRO 166 HG2 -0.46 0.07 0.04 -0.04 2.03 1.64 3hp7A1 PRO 166 HG3 -1.66 0.04 0.04 -0.04 2.03 0.41 3hp7A1 PRO 166 HD2 -0.32 -0.05 -0.41 -0.04 3.68 2.86 3hp7A1 PRO 166 HD3 -0.79 0.07 0.03 -0.04 3.65 2.92 3hp7A1 ALA 167 H -0.09 0.14 -0.39 -0.55 8.40 7.51 3hp7A1 ALA 167 HA -0.11 0.13 0.38 -0.75 4.34 3.99 3hp7A1 ALA 167 HB3 -0.29 0.03 0.07 -0.04 1.41 1.18 3hp7A1 LEU 168 H 0.20 0.45 -0.16 -0.55 8.37 8.32 3hp7A1 LEU 168 HA 0.38 -0.02 0.27 -0.75 4.35 4.23 3hp7A1 LEU 168 HB2 0.17 -0.04 -0.04 -0.04 1.64 1.69 3hp7A1 LEU 168 HB3 0.19 0.12 0.01 -0.04 1.64 1.92 3hp7A1 LEU 168 HG 0.22 0.04 -0.21 -0.04 1.64 1.66 3hp7A1 LEU 168 HD13 -0.00 -0.02 -0.08 -0.04 0.93 0.79 3hp7A1 LEU 168 HD23 -0.17 -0.02 -0.19 -0.04 0.89 0.47 3hp7A1 ALA 169 H 0.21 0.51 -0.29 -0.55 8.40 8.29 3hp7A1 ALA 169 HA 0.05 -0.00 0.39 -0.75 4.34 4.02 3hp7A1 ALA 169 HB3 0.02 0.04 0.11 -0.04 1.41 1.54 3hp7A1 LYS 170 H 0.03 0.38 -0.47 -0.55 8.42 7.82 3hp7A1 LYS 170 HA 0.00 0.07 0.65 -0.75 4.32 4.29 3hp7A1 LYS 170 HB2 -0.02 0.20 0.03 -0.04 1.87 2.04 3hp7A1 LYS 170 HB3 0.00 -0.13 0.04 -0.04 1.79 1.67 3hp7A1 LYS 170 HG2 -0.01 -0.08 0.02 -0.04 1.46 1.36 3hp7A1 LYS 170 HG3 -0.02 0.19 0.06 -0.04 1.46 1.64 3hp7A1 LYS 170 HD2 -0.05 0.17 0.05 -0.04 1.69 1.82 3hp7A1 LYS 170 HD3 -0.01 -0.10 0.05 -0.04 1.68 1.57 3hp7A1 LYS 170 HE2 -0.02 -0.07 -0.02 -0.04 2.99 2.85 3hp7A1 LYS 170 HE3 -0.04 -0.01 -0.09 -0.04 2.99 2.80 3hp7A1 ILE 171 H 0.04 0.31 -0.27 -0.55 8.25 7.78 3hp7A1 ILE 171 HA -0.03 0.11 0.75 -0.75 4.18 4.26 3hp7A1 ILE 171 HB 0.05 -0.01 -0.02 -0.04 1.89 1.87 3hp7A1 ILE 171 HG12 -0.01 0.31 -0.18 -0.04 1.49 1.56 3hp7A1 ILE 171 HG13 -0.02 -0.13 -0.23 -0.04 1.21 0.80 3hp7A1 ILE 171 HG23 -0.56 -0.03 -0.19 -0.04 0.93 0.12 3hp7A1 ILE 171 HD13 0.07 0.02 -0.60 -0.04 0.88 0.33 3hp7A1 LEU 172 H 0.05 0.57 0.12 -0.55 8.37 8.56 3hp7A1 LEU 172 HA -0.00 0.16 0.53 -0.75 4.35 4.28 3hp7A1 LEU 172 HB2 0.08 -0.08 -0.01 -0.04 1.64 1.58 3hp7A1 LEU 172 HB3 0.09 -0.00 -0.06 -0.04 1.64 1.62 3hp7A1 LEU 172 HG 0.04 0.17 -0.15 -0.04 1.64 1.66 3hp7A1 LEU 172 HD13 0.01 0.05 -0.41 -0.04 0.93 0.53 3hp7A1 LEU 172 HD23 0.14 -0.04 -0.36 -0.04 0.89 0.59 3hp7A1 VAL 173 H 0.02 0.54 0.21 -0.55 8.24 8.47 3hp7A1 VAL 173 HA 0.01 0.06 0.41 -0.75 4.13 3.86 3hp7A1 VAL 173 HB 0.02 0.00 0.11 -0.04 2.12 2.20 3hp7A1 VAL 173 HG13 0.03 0.04 -0.09 -0.04 0.97 0.91 3hp7A1 VAL 173 HG23 0.03 -0.01 -0.07 -0.04 0.95 0.86 3hp7A1 ASP 174 H -0.01 0.12 0.14 -0.55 8.40 8.10 3hp7A1 ASP 174 HA -0.04 0.05 0.48 -0.75 4.63 4.36 3hp7A1 ASP 174 HB2 -0.02 0.04 0.14 -0.04 2.71 2.82 3hp7A1 ASP 174 HB3 -0.01 -0.00 0.09 -0.04 2.70 2.74 3hp7A1 GLY 175 H -0.03 0.48 0.25 -0.55 8.43 8.58 3hp7A1 GLY 175 HA2 0.00 0.01 0.42 -0.51 4.01 3.93 3hp7A1 GLY 175 HA3 0.01 0.06 0.64 -0.51 4.01 4.21 3hp7A1 GLY 176 H 0.02 0.37 -0.24 -0.55 8.43 8.03 3hp7A1 GLY 176 HA2 0.06 0.18 0.44 -0.51 4.01 4.18 3hp7A1 GLY 176 HA3 0.05 0.01 0.25 -0.51 4.01 3.80 3hp7A1 GLN 177 H 0.08 0.50 0.40 -0.55 8.47 8.90 3hp7A1 GLN 177 HA 0.06 0.24 0.93 -0.75 4.36 4.84 3hp7A1 GLN 177 HB2 0.22 -0.06 0.15 -0.04 2.15 2.41 3hp7A1 GLN 177 HB3 0.18 -0.02 0.11 -0.04 2.02 2.24 3hp7A1 GLN 177 HG2 0.14 0.07 0.13 -0.04 2.40 2.70 3hp7A1 GLN 177 HG3 0.21 -0.02 0.06 -0.04 2.39 2.60 3hp7A1 GLN 177 HE21 0.06 -0.11 -0.04 -0.04 6.97 6.85 3hp7A1 GLN 177 HE22 0.08 0.35 0.01 -0.04 7.69 8.09 3hp7A1 VAL 178 H -0.02 0.65 0.37 -0.55 8.24 8.70 3hp7A1 VAL 178 HA -0.47 0.31 0.99 -0.75 4.13 4.21 3hp7A1 VAL 178 HB -0.15 -0.14 0.00 -0.04 2.12 1.79 3hp7A1 VAL 178 HG13 -0.22 -0.03 -0.31 -0.04 0.97 0.37 3hp7A1 VAL 178 HG23 -0.06 0.03 -0.38 -0.04 0.95 0.49 3hp7A1 VAL 179 H -0.37 0.61 0.36 -0.55 8.24 8.29 3hp7A1 VAL 179 HA -0.03 0.33 0.93 -0.75 4.13 4.61 3hp7A1 VAL 179 HB 0.05 -0.05 0.19 -0.04 2.12 2.27 3hp7A1 VAL 179 HG13 0.11 -0.03 -0.17 -0.04 0.97 0.84 3hp7A1 VAL 179 HG23 0.14 0.01 -0.14 -0.04 0.95 0.92 3hp7A1 ALA 180 H -0.01 0.70 0.25 -0.55 8.40 8.80 3hp7A1 ALA 180 HA 0.01 0.12 1.07 -0.75 4.34 4.79 3hp7A1 ALA 180 HB3 -0.04 0.00 -0.05 -0.04 1.41 1.28 3hp7A1 LEU 181 H 0.08 0.70 0.33 -0.55 8.37 8.92 3hp7A1 LEU 181 HA 0.10 0.27 0.92 -0.75 4.35 4.88 3hp7A1 LEU 181 HB2 0.07 0.09 0.37 -0.04 1.64 2.12 3hp7A1 LEU 181 HB3 0.06 -0.05 -0.00 -0.04 1.64 1.60 3hp7A1 LEU 181 HG 0.14 -0.06 0.03 -0.04 1.64 1.71 3hp7A1 LEU 181 HD13 0.07 0.04 -0.04 -0.04 0.93 0.96 3hp7A1 LEU 181 HD23 0.24 0.01 -0.15 -0.04 0.89 0.94 3hp7A1 VAL 182 H 0.12 0.73 0.26 -0.55 8.24 8.81 3hp7A1 VAL 182 HA 0.09 0.09 0.80 -0.75 4.13 4.36 3hp7A1 VAL 182 HB 0.20 -0.06 0.10 -0.04 2.12 2.32 3hp7A1 VAL 182 HG13 0.07 -0.01 -0.17 -0.04 0.97 0.82 3hp7A1 VAL 182 HG23 0.05 0.05 -0.20 -0.04 0.95 0.81 3hp7A1 LYS 183 H 0.11 0.22 0.06 -0.55 8.42 8.26 3hp7A1 LYS 183 HA -0.01 0.24 0.82 -0.75 4.32 4.61 3hp7A1 LYS 183 HB2 0.22 0.00 0.18 -0.04 1.87 2.23 3hp7A1 LYS 183 HB3 -0.10 -0.01 0.05 -0.04 1.79 1.69 3hp7A1 LYS 183 HG2 0.02 0.04 -0.16 -0.04 1.46 1.32 3hp7A1 LYS 183 HG3 0.09 0.06 -0.26 -0.04 1.46 1.30 3hp7A1 LYS 183 HD2 0.26 0.16 0.10 -0.04 1.69 2.18 3hp7A1 LYS 183 HD3 0.15 -0.05 -0.00 -0.04 1.68 1.73 3hp7A1 LYS 183 HE2 0.02 -0.02 -0.06 -0.04 2.99 2.89 3hp7A1 LYS 183 HE3 0.02 -0.03 0.01 -0.04 2.99 2.95 3hp7A1 PRO 184 HA 0.09 0.01 0.31 -0.51 4.44 4.34 3hp7A1 PRO 184 HB2 0.17 0.06 0.05 -0.04 2.28 2.52 3hp7A1 PRO 184 HB3 0.25 -0.01 0.03 -0.04 2.02 2.26 3hp7A1 PRO 184 HG2 0.07 0.15 0.09 -0.04 2.03 2.30 3hp7A1 PRO 184 HG3 0.25 -0.01 0.02 -0.04 2.03 2.26 3hp7A1 PRO 184 HD2 -0.05 0.32 0.34 -0.04 3.68 4.24 3hp7A1 PRO 184 HD3 0.11 0.31 0.27 -0.04 3.65 4.30 3hp7A1 GLN 185 H -0.19 0.18 -0.28 -0.55 8.47 7.63 3hp7A1 GLN 185 HA -0.12 0.08 0.29 -0.75 4.36 3.85 3hp7A1 GLN 185 HB2 -0.34 0.17 0.04 -0.04 2.15 1.98 3hp7A1 GLN 185 HB3 -0.24 -0.05 0.05 -0.04 2.02 1.74 3hp7A1 GLN 185 HG2 -1.89 -0.02 -0.19 -0.04 2.40 0.25 3hp7A1 GLN 185 HG3 -0.80 0.11 -0.01 -0.04 2.39 1.65 3hp7A1 GLN 185 HE21 -0.23 -0.00 0.00 -0.04 6.97 6.71 3hp7A1 GLN 185 HE22 -0.42 0.00 0.02 -0.04 7.69 7.25 3hp7A1 PHE 186 H -0.13 0.46 -0.34 -0.55 8.34 7.79 3hp7A1 PHE 186 HA 0.02 0.22 0.74 -0.75 4.62 4.85 3hp7A1 PHE 186 HB2 -0.02 0.07 0.02 -0.04 3.15 3.17 3hp7A1 PHE 186 HB3 -0.01 -0.04 -0.06 -0.04 3.06 2.91 3hp7A1 PHE 186 HD2 -0.07 0.16 0.01 -0.04 7.28 7.34 3hp7A1 PHE 186 HE2 -0.26 0.09 0.02 -0.04 7.38 7.20 3hp7A1 PHE 186 HZ -0.79 0.08 0.02 -0.04 7.32 6.59 3hp7A1 GLU 187 H 0.08 0.23 -0.11 -0.55 8.60 8.26 3hp7A1 GLU 187 HA 0.15 0.13 0.90 -0.75 4.29 4.71 3hp7A1 GLU 187 HB2 0.10 -0.02 0.00 -0.04 2.09 2.13 3hp7A1 GLU 187 HB3 0.14 -0.01 -0.01 -0.04 1.99 2.07 3hp7A1 GLU 187 HG2 0.15 0.12 -0.22 -0.04 2.34 2.35 3hp7A1 GLU 187 HG3 0.12 -0.06 -0.13 -0.04 2.34 2.23 3hp7A1 ALA 188 H 0.07 0.49 0.15 -0.55 8.40 8.56 3hp7A1 ALA 188 HA 0.06 -0.01 0.41 -0.75 4.34 4.05 3hp7A1 ALA 188 HB3 0.05 -0.01 -0.02 -0.04 1.41 1.38 3hp7A1 GLY 189 H 0.05 0.07 0.13 -0.55 8.43 8.13 3hp7A1 GLY 189 HA2 0.05 0.16 0.44 -0.51 4.01 4.14 3hp7A1 GLY 189 HA3 0.04 0.01 0.32 -0.51 4.01 3.87 3hp7A1 ARG 190 H 0.04 0.18 0.15 -0.55 8.46 8.28 3hp7A1 ARG 190 HA 0.05 0.00 0.31 -0.75 4.34 3.95 3hp7A1 ARG 190 HB2 0.04 0.00 0.11 -0.04 1.90 2.01 3hp7A1 ARG 190 HB3 0.04 0.00 0.16 -0.04 1.80 1.96 3hp7A1 ARG 190 HG2 0.03 -0.01 -0.42 -0.04 1.67 1.22 3hp7A1 ARG 190 HG3 0.03 0.06 -0.07 -0.04 1.67 1.65 3hp7A1 ARG 190 HD2 0.03 0.05 -0.00 -0.04 3.22 3.25 3hp7A1 ARG 190 HD3 0.03 -0.04 0.03 -0.04 3.22 3.20 3hp7A1 GLU 191 H 0.03 0.02 -0.32 -0.55 8.60 7.78 3hp7A1 GLU 191 HA 0.02 0.00 0.49 -0.75 4.29 4.05 3hp7A1 GLU 191 HB2 0.01 0.00 0.06 -0.04 2.09 2.12 3hp7A1 GLU 191 HB3 0.02 0.00 0.05 -0.04 1.99 2.02 3hp7A1 GLU 191 HG2 0.02 0.05 -0.33 -0.04 2.34 2.04 3hp7A1 GLU 191 HG3 0.01 0.04 -0.06 -0.04 2.34 2.29 3hp7A1 GLN 192 H 0.02 0.44 -0.34 -0.55 8.47 8.05 3hp7A1 GLN 192 HA 0.01 0.16 0.65 -0.75 4.36 4.43 3hp7A1 GLN 192 HB2 0.02 0.07 0.01 -0.04 2.15 2.21 3hp7A1 GLN 192 HB3 0.01 -0.08 0.13 -0.04 2.02 2.04 3hp7A1 GLN 192 HG2 0.01 0.03 -0.02 -0.04 2.40 2.38 3hp7A1 GLN 192 HG3 0.02 -0.08 -0.10 -0.04 2.39 2.19 3hp7A1 GLN 192 HE21 0.02 0.03 0.00 -0.04 6.97 6.98 3hp7A1 GLN 192 HE22 0.01 0.03 -0.01 -0.04 7.69 7.68 3hp7A1 ILE 193 H 0.02 0.30 -0.41 -0.55 8.25 7.61 3hp7A1 ILE 193 HA 0.01 0.05 0.80 -0.75 4.18 4.29 3hp7A1 ILE 193 HB 0.03 0.07 0.08 -0.04 1.89 2.03 3hp7A1 ILE 193 HG12 0.01 -0.07 -0.26 -0.04 1.49 1.13 3hp7A1 ILE 193 HG13 0.03 0.01 -0.39 -0.04 1.21 0.82 3hp7A1 ILE 193 HG23 0.02 0.04 -0.20 -0.04 0.93 0.75 3hp7A1 ILE 193 HD13 0.04 0.02 -0.16 -0.04 0.88 0.74 3hp7A1 GLY 194 H 0.01 0.42 0.17 -0.55 8.43 8.49 3hp7A1 GLY 194 HA2 0.02 0.14 0.37 -0.51 4.01 4.03 3hp7A1 GLY 194 HA3 0.01 0.03 0.29 -0.51 4.01 3.84 3hp7A1 ASN 196 HA 0.11 -0.01 0.31 -0.75 4.76 4.42 3hp7A1 ASN 196 HB2 0.01 -0.04 0.08 -0.04 2.88 2.89 3hp7A1 ASN 196 HB3 0.07 0.02 0.16 -0.04 2.79 2.99 3hp7A1 ASN 196 HD21 -0.01 -0.00 0.05 -0.04 7.03 7.02 3hp7A1 ASN 196 HD22 -0.02 -0.02 0.06 -0.04 7.74 7.73 3hp7A1 GLY 197 H 0.08 0.51 0.12 -0.55 8.43 8.59 3hp7A1 GLY 197 HA2 0.04 0.02 0.23 -0.51 4.01 3.80 3hp7A1 GLY 197 HA3 0.07 0.01 0.35 -0.51 4.01 3.93 3hp7A1 ILE 198 H 0.04 0.16 -0.36 -0.55 8.25 7.54 3hp7A1 ILE 198 HA 0.01 0.19 0.75 -0.75 4.18 4.38 3hp7A1 ILE 198 HB 0.03 -0.13 -0.05 -0.04 1.89 1.69 3hp7A1 ILE 198 HG12 0.11 0.17 -0.18 -0.04 1.49 1.55 3hp7A1 ILE 198 HG13 0.11 0.06 -0.63 -0.04 1.21 0.72 3hp7A1 ILE 198 HG23 0.01 -0.02 -0.25 -0.04 0.93 0.64 3hp7A1 ILE 198 HD13 -0.01 -0.02 -0.03 -0.04 0.88 0.78 3hp7A1 VAL 199 H 0.01 0.24 0.04 -0.55 8.24 7.99 3hp7A1 VAL 199 HA -0.01 0.14 0.93 -0.75 4.13 4.44 3hp7A1 VAL 199 HB 0.14 -0.01 0.09 -0.04 2.12 2.30 3hp7A1 VAL 199 HG13 -0.09 0.01 -0.10 -0.04 0.97 0.75 3hp7A1 VAL 199 HG23 0.01 0.06 -0.24 -0.04 0.95 0.74 3hp7A1 ARG 200 H -0.03 0.16 0.08 -0.55 8.46 8.12 3hp7A1 ARG 200 HA 0.03 0.26 0.78 -0.75 4.34 4.65 3hp7A1 ARG 200 HB2 -0.00 -0.03 0.06 -0.04 1.90 1.89 3hp7A1 ARG 200 HB3 0.03 0.03 0.06 -0.04 1.80 1.88 3hp7A1 ARG 200 HG2 0.01 0.10 -0.10 -0.04 1.67 1.63 3hp7A1 ARG 200 HG3 0.00 -0.05 -0.22 -0.04 1.67 1.36 3hp7A1 ARG 200 HD2 0.01 -0.00 -0.02 -0.04 3.22 3.16 3hp7A1 ARG 200 HD3 0.01 -0.01 -0.01 -0.04 3.22 3.17 3hp7A1 GLU 201 H -0.13 0.06 0.04 -0.55 8.60 8.02 3hp7A1 GLU 201 HA -0.04 0.00 0.26 -0.75 4.29 3.76 3hp7A1 GLU 201 HB2 -0.09 0.00 0.18 -0.04 2.09 2.14 3hp7A1 GLU 201 HB3 -0.07 -0.06 0.06 -0.04 1.99 1.89 3hp7A1 GLU 201 HG2 -0.03 0.00 0.04 -0.04 2.34 2.31 3hp7A1 GLU 201 HG3 -0.03 0.00 -0.02 -0.04 2.34 2.25 3hp7A1 SER 202 H -0.13 0.30 0.23 -0.55 8.46 8.31 3hp7A1 SER 202 HA 0.01 0.11 0.47 -0.75 4.49 4.32 3hp7A1 SER 202 HB2 -0.26 0.03 0.06 -0.04 3.95 3.74 3hp7A1 SER 202 HB3 -0.83 0.12 0.15 -0.04 3.93 3.33 3hp7A1 SER 203 H -0.08 0.10 -0.18 -0.55 8.46 7.75 3hp7A1 SER 203 HA -0.03 0.10 0.38 -0.75 4.49 4.18 3hp7A1 SER 203 HB2 -0.03 0.08 0.04 -0.04 3.95 4.00 3hp7A1 SER 203 HB3 -0.04 0.05 0.08 -0.04 3.93 3.98 3hp7A1 ILE 204 H -0.08 0.12 -0.21 -0.55 8.25 7.52 3hp7A1 ILE 204 HA -0.01 0.09 0.48 -0.75 4.18 3.98 3hp7A1 ILE 204 HB -0.10 0.04 0.12 -0.04 1.89 1.91 3hp7A1 ILE 204 HG12 -0.01 0.03 0.03 -0.04 1.49 1.50 3hp7A1 ILE 204 HG13 -0.04 -0.12 0.05 -0.04 1.21 1.05 3hp7A1 ILE 204 HG23 0.02 0.03 -0.01 -0.04 0.93 0.93 3hp7A1 ILE 204 HD13 -0.03 0.03 0.12 -0.04 0.88 0.96 3hp7A1 HIS 205 H -0.10 0.48 -0.09 -0.55 8.41 8.15 3hp7A1 HIS 205 HA 0.06 0.01 0.42 -0.75 4.63 4.38 3hp7A1 HIS 205 HB2 0.14 0.09 0.15 -0.04 3.26 3.60 3hp7A1 HIS 205 HB3 0.09 -0.01 -0.00 -0.04 3.20 3.24 3hp7A1 HIS 205 HD2 0.15 -0.10 -0.06 -0.04 6.97 6.92 3hp7A1 HIS 205 HE1 -0.04 0.05 -0.06 -0.04 7.75 7.65 3hp7A1 GLU 206 H 0.04 0.54 -0.21 -0.55 8.60 8.42 3hp7A1 GLU 206 HA -0.08 0.00 0.36 -0.75 4.29 3.82 3hp7A1 GLU 206 HB2 -0.02 0.16 0.15 -0.04 2.09 2.34 3hp7A1 GLU 206 HB3 -0.03 -0.03 -0.02 -0.04 1.99 1.87 3hp7A1 GLU 206 HG2 -0.03 -0.11 -0.12 -0.04 2.34 2.04 3hp7A1 GLU 206 HG3 -0.01 0.10 0.03 -0.04 2.34 2.42 3hp7A1 LYS 207 H -0.00 0.44 -0.13 -0.55 8.42 8.17 3hp7A1 LYS 207 HA -0.02 0.04 0.39 -0.75 4.32 3.97 3hp7A1 LYS 207 HB2 0.01 0.04 0.18 -0.04 1.87 2.06 3hp7A1 LYS 207 HB3 0.01 -0.03 0.04 -0.04 1.79 1.77 3hp7A1 LYS 207 HG2 -0.01 -0.02 0.04 -0.04 1.46 1.43 3hp7A1 LYS 207 HG3 -0.01 0.20 0.11 -0.04 1.46 1.72 3hp7A1 LYS 207 HD2 -0.00 -0.05 -0.04 -0.04 1.69 1.56 3hp7A1 LYS 207 HD3 0.00 -0.01 0.00 -0.04 1.68 1.63 3hp7A1 LYS 207 HE2 -0.00 0.00 -0.02 -0.04 2.99 2.92 3hp7A1 LYS 207 HE3 -0.00 0.02 -0.01 -0.04 2.99 2.96 3hp7A1 VAL 208 H 0.02 0.63 -0.14 -0.55 8.24 8.20 3hp7A1 VAL 208 HA 0.02 0.02 0.44 -0.75 4.13 3.86 3hp7A1 VAL 208 HB 0.07 0.13 0.14 -0.04 2.12 2.42 3hp7A1 VAL 208 HG13 0.06 -0.03 -0.22 -0.04 0.97 0.73 3hp7A1 VAL 208 HG23 0.08 0.01 -0.03 -0.04 0.95 0.97 3hp7A1 LEU 209 H -0.09 0.58 -0.15 -0.55 8.37 8.16 3hp7A1 LEU 209 HA -0.12 -0.02 0.41 -0.75 4.35 3.86 3hp7A1 LEU 209 HB2 -0.17 0.07 0.15 -0.04 1.64 1.64 3hp7A1 LEU 209 HB3 -0.15 -0.04 0.04 -0.04 1.64 1.44 3hp7A1 LEU 209 HG -0.39 0.07 0.04 -0.04 1.64 1.32 3hp7A1 LEU 209 HD13 -0.85 -0.01 -0.06 -0.04 0.93 -0.04 3hp7A1 LEU 209 HD23 -0.16 -0.02 -0.03 -0.04 0.89 0.65 3hp7A1 GLU 210 H -0.07 0.61 -0.11 -0.55 8.60 8.49 3hp7A1 GLU 210 HA -0.07 0.01 0.46 -0.75 4.29 3.93 3hp7A1 GLU 210 HB2 -0.03 0.10 0.15 -0.04 2.09 2.26 3hp7A1 GLU 210 HB3 -0.04 -0.02 0.01 -0.04 1.99 1.90 3hp7A1 GLU 210 HG2 -0.04 -0.03 0.04 -0.04 2.34 2.27 3hp7A1 GLU 210 HG3 -0.05 0.09 0.08 -0.04 2.34 2.42 3hp7A1 THR 211 H -0.05 0.54 -0.16 -0.55 8.28 8.07 3hp7A1 THR 211 HA -0.02 0.04 0.44 -0.75 4.39 4.09 3hp7A1 THR 211 HB 0.01 0.07 0.20 -0.04 4.32 4.56 3hp7A1 THR 211 HG23 0.17 -0.02 -0.09 -0.04 1.22 1.24 3hp7A1 VAL 212 H -0.20 0.69 -0.01 -0.55 8.24 8.17 3hp7A1 VAL 212 HA -1.72 -0.00 0.43 -0.75 4.13 2.08 3hp7A1 VAL 212 HB -0.22 0.08 0.09 -0.04 2.12 2.03 3hp7A1 VAL 212 HG13 -0.29 -0.02 -0.18 -0.04 0.97 0.45 3hp7A1 VAL 212 HG23 -0.06 -0.00 -0.00 -0.04 0.95 0.85 3hp7A1 THR 213 H -0.22 0.64 -0.10 -0.55 8.28 8.06 3hp7A1 THR 213 HA -0.16 0.02 0.45 -0.75 4.39 3.94 3hp7A1 THR 213 HB -0.08 -0.07 0.02 -0.04 4.32 4.14 3hp7A1 THR 213 HG23 -0.10 -0.00 0.02 -0.04 1.22 1.10 3hp7A1 ALA 214 H -0.15 0.48 -0.28 -0.55 8.40 7.90 3hp7A1 ALA 214 HA -0.05 0.02 0.50 -0.75 4.34 4.06 3hp7A1 ALA 214 HB3 -0.03 0.03 0.14 -0.04 1.41 1.50 3hp7A1 PHE 215 H -0.23 0.47 -0.08 -0.55 8.34 7.94 3hp7A1 PHE 215 HA -0.19 0.08 0.43 -0.75 4.62 4.19 3hp7A1 PHE 215 HB2 -0.23 0.00 0.07 -0.04 3.15 2.95 3hp7A1 PHE 215 HB3 -0.07 0.00 0.06 -0.04 3.06 3.01 3hp7A1 PHE 215 HD2 0.13 0.05 -0.24 -0.04 7.28 7.17 3hp7A1 PHE 215 HE2 0.06 -0.02 -0.21 -0.04 7.38 7.17 3hp7A1 PHE 215 HZ 0.06 -0.20 -0.06 -0.04 7.32 7.07 3hp7A1 ALA 216 H -0.16 0.55 -0.21 -0.55 8.40 8.04 3hp7A1 ALA 216 HA 0.32 -0.02 0.38 -0.75 4.34 4.26 3hp7A1 ALA 216 HB3 -0.02 0.01 -0.00 -0.04 1.41 1.36 3hp7A1 VAL 217 H 0.02 0.40 -0.25 -0.55 8.24 7.85 3hp7A1 VAL 217 HA 0.07 0.17 0.39 -0.75 4.13 4.00 3hp7A1 VAL 217 HB -0.01 0.12 0.14 -0.04 2.12 2.33 3hp7A1 VAL 217 HG13 -0.01 -0.01 -0.23 -0.04 0.97 0.68 3hp7A1 VAL 217 HG23 -0.00 -0.02 -0.11 -0.04 0.95 0.78 3hp7A1 ASP 218 H -0.03 0.40 -0.11 -0.55 8.40 8.11 3hp7A1 ASP 218 HA -0.05 0.01 0.40 -0.75 4.63 4.24 3hp7A1 ASP 218 HB2 -0.40 0.12 0.13 -0.04 2.71 2.52 3hp7A1 ASP 218 HB3 -0.28 -0.04 -0.00 -0.04 2.70 2.33 3hp7A1 TYR 219 H 0.13 0.40 -0.40 -0.55 8.29 7.86 3hp7A1 TYR 219 HA 0.08 0.13 0.66 -0.75 4.56 4.68 3hp7A1 TYR 219 HB2 0.35 0.04 0.03 -0.04 3.06 3.43 3hp7A1 TYR 219 HB3 0.28 -0.04 -0.03 -0.04 2.98 3.15 3hp7A1 TYR 219 HD2 0.16 0.01 -0.11 -0.04 7.15 7.17 3hp7A1 TYR 219 HE2 -0.18 -0.08 -0.01 -0.04 6.85 6.54 3hp7A1 GLY 220 H 0.10 0.40 -0.37 -0.55 8.43 8.01 3hp7A1 GLY 220 HA2 -0.06 0.06 0.27 -0.51 4.01 3.77 3hp7A1 GLY 220 HA3 -0.17 0.12 0.73 -0.51 4.01 4.17 3hp7A1 PHE 221 H 0.21 0.51 0.09 -0.55 8.34 8.60 3hp7A1 PHE 221 HA -0.01 0.23 0.99 -0.75 4.62 5.07 3hp7A1 PHE 221 HB2 0.03 -0.04 -0.13 -0.04 3.15 2.97 3hp7A1 PHE 221 HB3 -0.02 -0.03 -0.19 -0.04 3.06 2.78 3hp7A1 PHE 221 HD2 0.06 0.01 -0.37 -0.04 7.28 6.94 3hp7A1 PHE 221 HE2 0.03 0.06 -0.22 -0.04 7.38 7.21 3hp7A1 PHE 221 HZ 0.02 -0.03 -0.30 -0.04 7.32 6.97 3hp7A1 SER 222 H 0.03 0.49 0.27 -0.55 8.46 8.70 3hp7A1 SER 222 HA 0.00 0.11 0.88 -0.75 4.49 4.73 3hp7A1 SER 222 HB2 -0.04 0.03 0.14 -0.04 3.95 4.04 3hp7A1 SER 222 HB3 -0.05 0.08 0.04 -0.04 3.93 3.96 3hp7A1 VAL 223 H -0.04 0.43 0.32 -0.55 8.24 8.41 3hp7A1 VAL 223 HA -0.10 0.22 0.94 -0.75 4.13 4.43 3hp7A1 VAL 223 HB -0.06 -0.20 0.28 -0.04 2.12 2.09 3hp7A1 VAL 223 HG13 -0.08 -0.01 -0.07 -0.04 0.97 0.78 3hp7A1 VAL 223 HG23 -0.05 0.02 -0.01 -0.04 0.95 0.86 3hp7A1 LYS 224 H -0.30 0.77 0.32 -0.55 8.42 8.67 3hp7A1 LYS 224 HA -0.14 0.09 0.73 -0.75 4.32 4.24 3hp7A1 LYS 224 HB2 -1.05 0.04 -0.08 -0.04 1.87 0.74 3hp7A1 LYS 224 HB3 -0.32 0.03 0.03 -0.04 1.79 1.49 3hp7A1 LYS 224 HG2 -0.36 -0.01 -0.25 -0.04 1.46 0.80 3hp7A1 LYS 224 HG3 -0.44 0.07 -0.19 -0.04 1.46 0.86 3hp7A1 LYS 224 HD2 -0.13 -0.03 -0.34 -0.04 1.69 1.14 3hp7A1 LYS 224 HD3 -0.12 -0.02 -0.16 -0.04 1.68 1.34 3hp7A1 LYS 224 HE2 -0.09 0.05 -0.06 -0.04 2.99 2.85 3hp7A1 LYS 224 HE3 -0.10 0.02 -0.01 -0.04 2.99 2.86 3hp7A1 GLY 225 H -0.20 0.31 0.24 -0.55 8.43 8.23 3hp7A1 GLY 225 HA2 0.05 0.07 0.51 -0.51 4.01 4.13 3hp7A1 GLY 225 HA3 0.04 0.14 0.29 -0.51 4.01 3.97 3hp7A1 LEU 226 H 0.22 0.34 0.22 -0.55 8.37 8.60 3hp7A1 LEU 226 HA 0.22 0.32 1.06 -0.75 4.35 5.20 3hp7A1 LEU 226 HB2 0.09 -0.06 0.02 -0.04 1.64 1.66 3hp7A1 LEU 226 HB3 0.11 0.03 0.06 -0.04 1.64 1.80 3hp7A1 LEU 226 HG 0.01 -0.07 -0.36 -0.04 1.64 1.17 3hp7A1 LEU 226 HD13 -0.03 -0.02 -0.09 -0.04 0.93 0.75 3hp7A1 LEU 226 HD23 0.00 0.03 0.07 -0.04 0.89 0.95 3hp7A1 ASP 227 H 0.31 0.65 0.40 -0.55 8.40 9.21 3hp7A1 ASP 227 HA 0.15 0.09 0.46 -0.75 4.63 4.57 3hp7A1 ASP 227 HB2 -0.15 0.06 -0.25 -0.04 2.71 2.33 3hp7A1 ASP 227 HB3 -0.20 0.01 0.00 -0.04 2.70 2.47 3hp7A1 PHE 228 H -0.32 0.25 0.19 -0.55 8.34 7.91 3hp7A1 PHE 228 HA 0.08 0.05 1.18 -0.75 4.62 5.18 3hp7A1 PHE 228 HB2 -0.15 0.14 0.19 -0.04 3.15 3.29 3hp7A1 PHE 228 HB3 0.16 -0.04 0.03 -0.04 3.06 3.17 3hp7A1 PHE 228 HD2 0.10 0.17 -0.11 -0.04 7.28 7.40 3hp7A1 PHE 228 HE2 -0.13 0.01 -0.09 -0.04 7.38 7.14 3hp7A1 PHE 228 HZ -0.12 0.00 -0.04 -0.04 7.32 7.13 3hp7A1 SER 229 H 0.02 0.59 0.27 -0.55 8.46 8.79 3hp7A1 SER 229 HA -0.03 0.10 0.56 -0.75 4.49 4.37 3hp7A1 SER 229 HB2 0.01 -0.06 -0.14 -0.04 3.95 3.71 3hp7A1 SER 229 HB3 -0.02 0.05 0.08 -0.04 3.93 4.00 3hp7A1 PRO 230 HA 0.14 0.11 0.28 -0.51 4.44 4.46 3hp7A1 PRO 230 HB2 0.01 0.02 0.01 -0.04 2.28 2.29 3hp7A1 PRO 230 HB3 -0.06 0.04 0.10 -0.04 2.02 2.05 3hp7A1 PRO 230 HG2 0.02 -0.04 -0.12 -0.04 2.03 1.85 3hp7A1 PRO 230 HG3 -0.03 0.17 -0.05 -0.04 2.03 2.08 3hp7A1 PRO 230 HD2 -0.00 -0.02 0.19 -0.04 3.68 3.82 3hp7A1 PRO 230 HD3 -0.09 0.18 0.25 -0.04 3.65 3.95 3hp7A1 ILE 231 H 0.11 0.09 -0.24 -0.55 8.25 7.65 3hp7A1 ILE 231 HA 0.21 0.21 0.86 -0.75 4.18 4.70 3hp7A1 ILE 231 HB 0.01 0.09 0.04 -0.04 1.89 1.99 3hp7A1 ILE 231 HG12 0.04 -0.13 -0.08 -0.04 1.49 1.28 3hp7A1 ILE 231 HG13 0.01 0.07 -0.26 -0.04 1.21 0.99 3hp7A1 ILE 231 HG23 0.05 -0.01 -0.18 -0.04 0.93 0.74 3hp7A1 ILE 231 HD13 0.02 -0.00 -0.14 -0.04 0.88 0.72 3hp7A1 GLN 232 H -0.09 0.13 0.08 -0.55 8.47 8.04 3hp7A1 GLN 232 HA -0.34 0.09 0.57 -0.75 4.36 3.92 3hp7A1 GLN 232 HB2 -0.20 0.01 0.03 -0.04 2.15 1.96 3hp7A1 GLN 232 HB3 -0.25 0.01 -0.20 -0.04 2.02 1.55 3hp7A1 GLN 232 HG2 -0.83 0.00 -0.35 -0.04 2.40 1.19 3hp7A1 GLN 232 HG3 -1.02 -0.06 -0.15 -0.04 2.39 1.11 3hp7A1 GLN 232 HE21 -0.17 -0.05 -0.01 -0.04 6.97 6.71 3hp7A1 GLN 232 HE22 -0.62 -0.05 -0.07 -0.04 7.69 6.91 3hp7A1 GLY 233 H -0.20 0.67 0.18 -0.55 8.43 8.54 3hp7A1 GLY 233 HA2 -0.09 0.09 0.64 -0.51 4.01 4.14 3hp7A1 GLY 233 HA3 -0.13 -0.06 0.35 -0.51 4.01 3.66 3hp7A1 GLY 234 H -0.11 0.05 0.10 -0.55 8.43 7.92 3hp7A1 GLY 234 HA2 -0.08 0.12 0.38 -0.51 4.01 3.91 3hp7A1 GLY 234 HA3 -0.15 0.06 0.33 -0.51 4.01 3.74 3hp7A1 HIS 235 H 0.15 0.22 0.18 -0.55 8.41 8.42 3hp7A1 HIS 235 HA 0.05 0.12 0.41 -0.75 4.63 4.46 3hp7A1 HIS 235 HB2 -0.02 0.11 -0.37 -0.04 3.26 2.94 3hp7A1 HIS 235 HB3 0.02 -0.02 0.11 -0.04 3.20 3.27 3hp7A1 HIS 235 HD2 0.07 0.02 0.13 -0.04 6.97 7.14 3hp7A1 HIS 235 HE1 0.13 -0.06 0.00 -0.04 7.75 7.78 3hp7A1 GLY 236 H 0.00 0.26 -0.38 -0.55 8.43 7.76 3hp7A1 GLY 236 HA2 -0.09 0.04 0.17 -0.51 4.01 3.62 3hp7A1 GLY 236 HA3 -0.04 0.02 0.37 -0.51 4.01 3.85 3hp7A1 ASN 237 H -0.08 0.47 -0.49 -0.55 8.53 7.88 3hp7A1 ASN 237 HA -0.10 0.05 0.44 -0.75 4.76 4.40 3hp7A1 ASN 237 HB2 -0.15 0.02 0.01 -0.04 2.88 2.72 3hp7A1 ASN 237 HB3 -0.16 -0.01 -0.12 -0.04 2.79 2.46 3hp7A1 ASN 237 HD21 -0.09 0.53 0.29 -0.04 7.03 7.71 3hp7A1 ASN 237 HD22 -0.12 0.27 0.05 -0.04 7.74 7.90 3hp7A1 ILE 238 H -0.21 0.15 0.25 -0.55 8.25 7.90 3hp7A1 ILE 238 HA -0.56 0.11 0.59 -0.75 4.18 3.57 3hp7A1 ILE 238 HB -0.48 -0.06 0.14 -0.04 1.89 1.45 3hp7A1 ILE 238 HG12 -0.72 0.06 -0.00 -0.04 1.49 0.79 3hp7A1 ILE 238 HG13 -0.42 0.08 0.07 -0.04 1.21 0.91 3hp7A1 ILE 238 HG23 -0.68 0.00 -0.07 -0.04 0.93 0.14 3hp7A1 ILE 238 HD13 -0.43 -0.02 -0.06 -0.04 0.88 0.33 3hp7A1 GLU 239 H -0.38 0.29 0.28 -0.55 8.60 8.24 3hp7A1 GLU 239 HA -0.25 0.17 0.93 -0.75 4.29 4.39 3hp7A1 GLU 239 HB2 -0.12 0.04 0.07 -0.04 2.09 2.04 3hp7A1 GLU 239 HB3 -0.06 0.02 0.07 -0.04 1.99 1.98 3hp7A1 GLU 239 HG2 -0.12 -0.08 0.03 -0.04 2.34 2.13 3hp7A1 GLU 239 HG3 -0.19 0.07 -0.35 -0.04 2.34 1.84 3hp7A1 PHE 240 H 0.08 0.64 0.41 -0.55 8.34 8.92 3hp7A1 PHE 240 HA 0.11 0.10 1.15 -0.75 4.62 5.22 3hp7A1 PHE 240 HB2 0.02 -0.06 0.12 -0.04 3.15 3.20 3hp7A1 PHE 240 HB3 0.07 0.15 0.17 -0.04 3.06 3.41 3hp7A1 PHE 240 HD2 0.04 0.12 -0.02 -0.04 7.28 7.38 3hp7A1 PHE 240 HE2 -0.23 0.02 -0.14 -0.04 7.38 6.98 3hp7A1 PHE 240 HZ -0.11 -0.04 -0.06 -0.04 7.32 7.08 3hp7A1 LEU 241 H 0.28 0.67 0.15 -0.55 8.37 8.92 3hp7A1 LEU 241 HA 0.17 0.26 0.92 -0.75 4.35 4.95 3hp7A1 LEU 241 HB2 0.19 -0.11 -0.11 -0.04 1.64 1.57 3hp7A1 LEU 241 HB3 0.33 0.06 -0.15 -0.04 1.64 1.84 3hp7A1 LEU 241 HG 0.04 -0.12 -0.56 -0.04 1.64 0.96 3hp7A1 LEU 241 HD13 -0.14 0.01 -0.18 -0.04 0.93 0.58 3hp7A1 LEU 241 HD23 0.07 0.02 -0.16 -0.04 0.89 0.78 3hp7A1 ALA 242 H 0.11 0.62 0.30 -0.55 8.40 8.89 3hp7A1 ALA 242 HA 0.04 0.27 1.12 -0.75 4.34 5.02 3hp7A1 ALA 242 HB3 -0.02 -0.02 -0.01 -0.04 1.41 1.32 3hp7A1 HIS 243 H -0.31 0.69 0.28 -0.55 8.41 8.53 3hp7A1 HIS 243 HA -0.38 0.39 1.05 -0.75 4.63 4.93 3hp7A1 HIS 243 HB2 -2.30 -0.02 -0.03 -0.04 3.26 0.87 3hp7A1 HIS 243 HB3 -0.89 -0.12 0.15 -0.04 3.20 2.29 3hp7A1 HIS 243 HD2 -0.19 0.16 0.14 -0.04 6.97 7.03 3hp7A1 HIS 243 HE1 -0.01 0.09 -0.06 -0.04 7.75 7.72 3hp7A1 LEU 244 H -0.03 0.62 0.36 -0.55 8.37 8.78 3hp7A1 LEU 244 HA -0.14 0.26 1.12 -0.75 4.35 4.84 3hp7A1 LEU 244 HB2 -0.09 -0.06 -0.08 -0.04 1.64 1.37 3hp7A1 LEU 244 HB3 0.03 0.09 -0.03 -0.04 1.64 1.69 3hp7A1 LEU 244 HG -0.13 -0.02 -0.29 -0.04 1.64 1.16 3hp7A1 LEU 244 HD13 -0.33 -0.01 -0.16 -0.04 0.93 0.38 3hp7A1 LEU 244 HD23 -0.09 0.02 -0.25 -0.04 0.89 0.53 3hp7A1 GLU 245 H 0.03 0.52 0.26 -0.55 8.60 8.86 3hp7A1 GLU 245 HA 0.06 0.36 0.89 -0.75 4.29 4.84 3hp7A1 GLU 245 HB2 -0.07 0.02 -0.09 -0.04 2.09 1.91 3hp7A1 GLU 245 HB3 -0.05 -0.14 0.04 -0.04 1.99 1.80 3hp7A1 GLU 245 HG2 -0.01 -0.02 -0.39 -0.04 2.34 1.88 3hp7A1 GLU 245 HG3 0.02 0.26 -0.16 -0.04 2.34 2.41 3hp7A1 LYS 246 H 0.07 0.65 0.12 -0.55 8.42 8.71 3hp7A1 LYS 246 HA -0.35 0.00 0.74 -0.75 4.32 3.95 3hp7A1 LYS 246 HB2 -0.11 0.00 -0.01 -0.04 1.87 1.71 3hp7A1 LYS 246 HB3 -0.05 0.00 0.16 -0.04 1.79 1.86 3hp7A1 LYS 246 HG2 -0.17 0.00 -0.22 -0.04 1.46 1.03 3hp7A1 LYS 246 HG3 -0.49 0.00 0.02 -0.04 1.46 0.95 3hp7A1 LYS 246 HD2 -0.13 -0.04 -0.12 -0.04 1.69 1.36 3hp7A1 LYS 246 HD3 -0.06 0.06 -0.46 -0.04 1.68 1.17 3hp7A1 LYS 246 HE2 -0.11 -0.19 -0.07 -0.04 2.99 2.58 3hp7A1 LYS 246 HE3 -0.16 0.03 0.03 -0.04 2.99 2.84 3hp7A1 THR 247 H -0.19 0.85 0.43 -0.55 8.28 8.81 3hp7A1 THR 247 HA -0.06 0.07 0.81 -0.75 4.39 4.45 3hp7A1 THR 247 HB -0.04 0.12 -0.31 -0.04 4.32 4.05 3hp7A1 THR 247 HG23 -0.04 0.03 -0.26 -0.04 1.22 0.90 3hp7A1 ASP 248 H -0.04 0.13 0.14 -0.55 8.40 8.09 3hp7A1 ASP 248 HA -0.05 0.00 0.68 -0.75 4.63 4.51 3hp7A1 ASP 248 HB2 -0.03 0.00 0.11 -0.04 2.71 2.75 3hp7A1 ASP 248 HB3 -0.02 0.00 0.10 -0.04 2.70 2.74 3hp7A1 SER 249 H -0.03 0.01 -0.34 -0.55 8.46 7.56 3hp7A1 SER 249 HA -0.02 0.28 0.83 -0.75 4.49 4.83 3hp7A1 SER 249 HB2 -0.02 -0.05 0.10 -0.04 3.95 3.94 3hp7A1 SER 249 HB3 -0.02 0.04 0.07 -0.04 3.93 3.99 3hp7A1 PRO 250 HA -0.02 -0.05 0.26 -0.51 4.44 4.12 3hp7A1 PRO 250 HB2 0.01 0.05 -0.24 -0.04 2.28 2.07 3hp7A1 PRO 250 HB3 -0.02 -0.03 -0.45 -0.04 2.02 1.48 3hp7A1 PRO 250 HG2 -0.01 -0.00 0.02 -0.04 2.03 2.00 3hp7A1 PRO 250 HG3 -0.02 0.10 0.01 -0.04 2.03 2.08 3hp7A1 PRO 250 HD2 -0.02 0.15 -0.05 -0.04 3.68 3.72 3hp7A1 PRO 250 HD3 -0.04 0.22 -0.37 -0.04 3.65 3.41 3hp7A1 GLN 251 H -0.02 0.15 0.26 -0.55 8.47 8.32 3hp7A1 GLN 251 HA -0.01 0.14 0.31 -0.75 4.36 4.04 3hp7A1 GLN 251 HB2 -0.02 -0.03 0.05 -0.04 2.15 2.12 3hp7A1 GLN 251 HB3 -0.02 0.16 -0.01 -0.04 2.02 2.12 3hp7A1 GLN 251 HG2 -0.02 0.07 -0.06 -0.04 2.40 2.35 3hp7A1 GLN 251 HG3 -0.02 -0.08 -0.26 -0.04 2.39 1.98 3hp7A1 GLN 251 HE21 -0.01 0.00 -0.05 -0.04 6.97 6.87 3hp7A1 GLN 251 HE22 -0.02 -0.04 -0.19 -0.04 7.69 7.40 3hp7A1 ASN 252 H -0.02 0.22 0.13 -0.55 8.53 8.31 3hp7A1 ASN 252 HA -0.04 0.06 1.00 -0.75 4.76 5.02 3hp7A1 ASN 252 HB2 -0.03 0.09 0.06 -0.04 2.88 2.95 3hp7A1 ASN 252 HB3 -0.03 0.02 0.19 -0.04 2.79 2.94 3hp7A1 ASN 252 HD21 -0.05 -0.01 -0.10 -0.04 7.03 6.83 3hp7A1 ASN 252 HD22 -0.05 0.06 -0.06 -0.04 7.74 7.65 3hp7A1 ASP 253 H -0.04 0.70 0.30 -0.55 8.40 8.81 3hp7A1 ASP 253 HA -0.02 0.09 0.46 -0.75 4.63 4.40 3hp7A1 ASP 253 HB2 -0.04 0.13 0.17 -0.04 2.71 2.93 3hp7A1 ASP 253 HB3 -0.02 -0.03 0.11 -0.04 2.70 2.72 3hp7A1 VAL 254 H -0.03 0.01 -0.35 -0.55 8.24 7.32 3hp7A1 VAL 254 HA -0.00 0.22 0.74 -0.75 4.13 4.33 3hp7A1 VAL 254 HB 0.01 -0.13 0.07 -0.04 2.12 2.04 3hp7A1 VAL 254 HG13 0.01 0.04 -0.24 -0.04 0.97 0.74 3hp7A1 VAL 254 HG23 -0.01 -0.01 -0.18 -0.04 0.95 0.70 3hp7A1 PRO 255 HA -0.03 0.05 0.35 -0.51 4.44 4.30 3hp7A1 PRO 255 HB2 -0.02 0.03 0.06 -0.04 2.28 2.31 3hp7A1 PRO 255 HB3 -0.02 0.06 0.11 -0.04 2.02 2.13 3hp7A1 PRO 255 HG2 -0.01 -0.02 0.07 -0.04 2.03 2.03 3hp7A1 PRO 255 HG3 -0.01 0.16 0.06 -0.04 2.03 2.19 3hp7A1 PRO 255 HD2 -0.01 0.19 -0.10 -0.04 3.68 3.72 3hp7A1 PRO 255 HD3 -0.02 0.36 -0.35 -0.04 3.65 3.60 3hp7A1 THR 256 H -0.01 0.24 -0.16 -0.55 8.28 7.80 3hp7A1 THR 256 HA -0.01 0.10 0.20 -0.75 4.39 3.94 3hp7A1 THR 256 HB -0.00 0.01 0.14 -0.04 4.32 4.43 3hp7A1 THR 256 HG23 -0.01 0.02 0.02 -0.04 1.22 1.22 3hp7A1 SER 257 H -0.00 0.52 -0.65 -0.55 8.46 7.78 3hp7A1 SER 257 HA 0.02 0.00 0.50 -0.75 4.49 4.25 3hp7A1 SER 257 HB2 0.04 0.00 0.08 -0.04 3.95 4.03 3hp7A1 SER 257 HB3 0.02 0.00 0.00 -0.04 3.93 3.91 3hp7A1 ILE 258 H -0.02 0.44 -0.07 -0.55 8.25 8.05 3hp7A1 ILE 258 HA -0.04 0.09 0.28 -0.75 4.18 3.76 3hp7A1 ILE 258 HB -0.04 0.07 0.14 -0.04 1.89 2.03 3hp7A1 ILE 258 HG12 -0.08 -0.03 -0.01 -0.04 1.49 1.32 3hp7A1 ILE 258 HG13 -0.04 0.07 0.05 -0.04 1.21 1.25 3hp7A1 ILE 258 HG23 -0.09 0.02 -0.08 -0.04 0.93 0.73 3hp7A1 ILE 258 HD13 -0.07 0.03 -0.11 -0.04 0.88 0.69 3hp7A1 LYS 259 H -0.01 0.21 -0.13 -0.55 8.42 7.93 3hp7A1 LYS 259 HA -0.01 0.00 0.32 -0.75 4.32 3.87 3hp7A1 LYS 259 HB2 -0.00 0.00 0.07 -0.04 1.87 1.90 3hp7A1 LYS 259 HB3 -0.01 0.00 0.01 -0.04 1.79 1.75 3hp7A1 LYS 259 HG2 -0.02 -0.02 0.01 -0.04 1.46 1.39 3hp7A1 LYS 259 HG3 -0.02 -0.03 0.03 -0.04 1.46 1.40 3hp7A1 LYS 259 HD2 -0.01 0.05 0.01 -0.04 1.69 1.69 3hp7A1 LYS 259 HD3 -0.01 0.03 0.00 -0.04 1.68 1.66 3hp7A1 LYS 259 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.91 3hp7A1 LYS 259 HE3 -0.01 0.05 -0.01 -0.04 2.99 2.97 3hp7A1 GLU 260 H 0.02 0.18 -0.32 -0.55 8.60 7.92 3hp7A1 GLU 260 HA 0.03 0.07 0.43 -0.75 4.29 4.07 3hp7A1 GLU 260 HB2 0.03 0.02 0.08 -0.04 2.09 2.18 3hp7A1 GLU 260 HB3 0.04 0.09 0.11 -0.04 1.99 2.19 3hp7A1 GLU 260 HG2 0.05 0.06 -0.02 -0.04 2.34 2.38 3hp7A1 GLU 260 HG3 0.07 -0.01 -0.27 -0.04 2.34 2.09 3hp7A1 VAL 261 H 0.06 0.56 -0.04 -0.55 8.24 8.28 3hp7A1 VAL 261 HA 0.20 0.06 0.45 -0.75 4.13 4.08 3hp7A1 VAL 261 HB 0.06 0.03 0.06 -0.04 2.12 2.24 3hp7A1 VAL 261 HG13 0.36 -0.02 -0.28 -0.04 0.97 0.99 3hp7A1 VAL 261 HG23 0.12 0.04 -0.06 -0.04 0.95 1.01 3hp7A1 VAL 262 H 0.05 0.51 -0.20 -0.55 8.24 8.06 3hp7A1 VAL 262 HA 0.39 0.03 0.39 -0.75 4.13 4.19 3hp7A1 VAL 262 HB 0.04 0.08 0.14 -0.04 2.12 2.33 3hp7A1 VAL 262 HG13 0.22 0.01 -0.00 -0.04 0.97 1.16 3hp7A1 VAL 262 HG23 -0.19 0.02 -0.10 -0.04 0.95 0.63 3hp7A1 ALA 263 H 0.06 0.59 -0.06 -0.55 8.40 8.45 3hp7A1 ALA 263 HA 0.03 -0.04 0.44 -0.75 4.34 4.02 3hp7A1 ALA 263 HB3 0.02 0.02 0.14 -0.04 1.41 1.55 3hp7A1 GLN 264 H 0.08 0.64 -0.09 -0.55 8.47 8.55 3hp7A1 GLN 264 HA 0.01 0.02 0.43 -0.75 4.36 4.06 3hp7A1 GLN 264 HB2 0.20 0.08 0.13 -0.04 2.15 2.53 3hp7A1 GLN 264 HB3 0.20 -0.03 0.01 -0.04 2.02 2.17 3hp7A1 GLN 264 HG2 0.08 -0.03 0.04 -0.04 2.40 2.45 3hp7A1 GLN 264 HG3 0.09 0.12 0.07 -0.04 2.39 2.63 3hp7A1 GLN 264 HE21 0.08 0.02 -0.02 -0.04 6.97 7.01 3hp7A1 GLN 264 HE22 0.07 -0.03 -0.03 -0.04 7.69 7.66 3hp7A1 ALA 265 H -0.05 0.57 -0.15 -0.55 8.40 8.22 3hp7A1 ALA 265 HA -1.60 0.03 0.48 -0.75 4.34 2.50 3hp7A1 ALA 265 HB3 -0.10 0.02 0.12 -0.04 1.41 1.40 3hp7A1 HIS 266 H 0.20 0.59 -0.07 -0.55 8.41 8.59 3hp7A1 HIS 266 HA 0.06 0.01 0.41 -0.75 4.63 4.36 3hp7A1 HIS 266 HB2 0.03 0.13 0.19 -0.04 3.26 3.57 3hp7A1 HIS 266 HB3 0.03 -0.03 0.06 -0.04 3.20 3.22 3hp7A1 HIS 266 HD2 0.18 0.29 0.11 -0.04 6.97 7.51 3hp7A1 HIS 266 HE1 0.06 0.32 0.03 -0.04 7.75 8.11 3hp7A1 LYS 267 H 0.01 0.62 -0.13 -0.55 8.42 8.37 3hp7A1 LYS 267 HA 0.01 0.01 0.47 -0.75 4.32 4.06 3hp7A1 LYS 267 HB2 0.00 0.09 0.16 -0.04 1.87 2.08 3hp7A1 LYS 267 HB3 -0.04 0.11 0.19 -0.04 1.79 2.00 3hp7A1 LYS 267 HG2 -0.02 -0.06 -0.05 -0.04 1.46 1.29 3hp7A1 LYS 267 HG3 -0.00 -0.02 0.06 -0.04 1.46 1.46 3hp7A1 LYS 267 HD2 0.00 -0.00 0.00 -0.04 1.69 1.65 3hp7A1 LYS 267 HD3 -0.00 0.02 -0.00 -0.04 1.68 1.65 3hp7A1 LYS 267 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 3hp7A1 LYS 267 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 3hp7A1 GLU 268 H -0.24 0.57 -0.12 -0.55 8.60 8.27 3hp7A1 GLU 268 HA -0.16 0.00 0.32 -0.75 4.29 3.70 3hp7A1 GLU 268 HB2 -0.17 0.01 0.12 -0.04 2.09 2.01 3hp7A1 GLU 268 HB3 -0.69 0.00 0.17 -0.04 1.99 1.43 3hp7A1 GLU 268 HG2 -0.67 0.00 -0.12 -0.04 2.34 1.50 3hp7A1 GLU 268 HG3 -0.22 0.00 0.08 -0.04 2.34 2.16 3hp7A1 PHE 269 H -0.16 0.55 -0.11 -0.55 8.34 8.06 3hp7A1 PHE 269 HA -0.06 0.09 0.57 -0.75 4.62 4.47 3hp7A1 PHE 269 HB2 -0.17 0.06 0.13 -0.04 3.15 3.13 3hp7A1 PHE 269 HB3 -0.10 -0.02 0.07 -0.04 3.06 2.98 3hp7A1 PHE 269 HD2 -0.18 0.04 0.00 -0.04 7.28 7.10 3hp7A1 PHE 269 HE2 -0.06 0.03 -0.05 -0.04 7.38 7.26 3hp7A1 PHE 269 HZ 0.04 0.09 -0.44 -0.04 7.32 6.97 3hp7A1 LYS 270 H 0.03 0.61 -0.08 -0.55 8.42 8.44 3hp7A1 LYS 270 HA 0.05 0.02 0.55 -0.75 4.32 4.18 3hp7A1 LYS 270 HB2 0.06 0.13 0.19 -0.04 1.87 2.21 3hp7A1 LYS 270 HB3 0.02 0.06 0.17 -0.04 1.79 2.00 3hp7A1 LYS 270 HG2 0.03 -0.02 -0.00 -0.04 1.46 1.42 3hp7A1 LYS 270 HG3 0.04 -0.03 0.08 -0.04 1.46 1.51 3hp7A1 LYS 270 HD2 0.05 -0.03 0.01 -0.04 1.69 1.69 3hp7A1 LYS 270 HD3 0.03 0.01 0.01 -0.04 1.68 1.69 3hp7A1 LYS 270 HE2 0.02 0.01 -0.00 -0.04 2.99 2.98 3hp7A1 LYS 270 HE3 0.03 -0.01 0.01 -0.04 2.99 2.97 3hp7A1 LYS 271 H -0.03 0.63 -0.05 -0.55 8.42 8.42 3hp7A1 LYS 271 HA -0.00 0.00 0.48 -0.75 4.32 4.05 3hp7A1 LYS 271 HB2 -0.01 0.00 0.08 -0.04 1.87 1.89 3hp7A1 LYS 271 HB3 -0.02 0.00 0.12 -0.04 1.79 1.84 3hp7A1 LYS 271 HG2 -0.07 0.00 0.07 -0.04 1.46 1.42 3hp7A1 LYS 271 HG3 -0.06 0.10 -0.13 -0.04 1.46 1.33 3hp7A1 LYS 271 HD2 -0.02 -0.02 -0.02 -0.04 1.69 1.58 3hp7A1 LYS 271 HD3 -0.04 -0.03 -0.02 -0.04 1.68 1.55 3hp7A1 LYS 271 HE2 -0.03 0.03 -0.14 -0.04 2.99 2.80 3hp7A1 LYS 271 HE3 -0.02 -0.02 -0.06 -0.04 2.99 2.86 3hp7A1 ASN 272 H -0.05 0.58 -0.12 -0.55 8.53 8.40 3hp7A1 ASN 272 HA -0.01 0.06 0.55 -0.75 4.76 4.61 3hp7A1 ASN 272 HB2 0.03 0.06 0.21 -0.04 2.88 3.14 3hp7A1 ASN 272 HB3 0.06 -0.02 0.00 -0.04 2.79 2.79 3hp7A1 ASN 272 HD21 -0.14 0.01 0.02 -0.04 7.03 6.88 3hp7A1 ASN 272 HD22 0.02 -0.03 0.01 -0.04 7.74 7.70 3hp7A1 GLU 273 H 0.04 0.37 -0.26 -0.55 8.60 8.21 3hp7A1 GLU 273 HA 0.05 0.00 0.38 -0.75 4.29 3.97 3hp7A1 GLU 273 HB2 0.06 0.00 0.20 -0.04 2.09 2.31 3hp7A1 GLU 273 HB3 0.04 0.00 0.17 -0.04 1.99 2.16 3hp7A1 GLU 273 HG2 0.04 0.00 -0.05 -0.04 2.34 2.29 3hp7A1 GLU 273 HG3 0.05 -0.04 0.05 -0.04 2.34 2.36 3hp7A1 GLU 274 H 0.02 0.46 -0.02 -0.55 8.60 8.52 3hp7A1 GLU 274 HA 0.02 0.03 0.40 -0.75 4.29 3.98 3hp7A1 GLU 274 HB2 0.01 0.00 0.13 -0.04 2.09 2.19 3hp7A1 GLU 274 HB3 0.01 -0.01 0.05 -0.04 1.99 2.00 3hp7A1 GLU 274 HG2 0.02 -0.03 0.05 -0.04 2.34 2.33 3hp7A1 GLU 274 HG3 0.02 0.04 0.12 -0.04 2.34 2.48 3hp7A1 GLU 275 H 0.01 0.37 -0.43 -0.55 8.60 8.00 3hp7A1 GLU 275 HA 0.01 0.07 0.53 -0.75 4.29 4.15 3hp7A1 GLU 275 HB2 0.01 0.11 0.14 -0.04 2.09 2.30 3hp7A1 GLU 275 HB3 0.01 -0.04 0.08 -0.04 1.99 1.99 3hp7A1 GLU 275 HG2 0.00 -0.04 0.01 -0.04 2.34 2.28 3hp7A1 GLU 275 HG3 0.00 0.00 0.00 -0.04 2.34 2.30