============================================================================= 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. PHE 36 1.000 59.126 34.873 16.543 -99.200 -91.000 TYR 94 0.840 44.054 36.364 29.127 -99.200 -91.000 HIS 99 0.900 24.446 38.553 25.044 -99.200 -91.000 PHE 115 1.000 28.562 28.465 30.227 -99.200 -91.000 TYR 118 0.840 24.776 22.594 21.955 -99.200 -91.000 TYR 122 0.840 34.107 26.775 19.802 -99.200 -91.000 PHE 123 1.000 33.838 30.376 23.228 -99.200 -91.000 TYR 127 0.840 43.705 30.822 28.379 -99.200 -91.000 PHE 136 1.000 31.125 30.379 18.166 -99.200 -91.000 HIS 139 0.900 29.145 18.728 15.321 -99.200 -91.000 PHE 147 1.000 25.958 28.742 20.170 -99.200 -91.000 TYR 157 0.840 40.731 42.806 17.647 -99.200 -91.000 HIS 167 0.900 26.721 38.026 29.688 -99.200 -91.000 TYR 187 0.840 34.263 48.167 -4.828 -99.200 -91.000 HIS 210 0.900 47.291 55.610 0.850 -99.200 -91.000 PHE 214 1.000 44.929 62.177 -4.864 -99.200 -91.000 TYR 228 0.840 27.169 59.620 -17.918 -99.200 -91.000 PHE 249 1.000 29.338 58.254 8.597 -99.200 -91.000 PHE 250 1.000 27.945 54.877 0.836 -99.200 -91.000 PHE 251 1.000 23.605 60.266 6.155 -99.200 -91.000 PHE 274 1.000 26.017 67.529 1.513 -99.200 -91.000 PHE 286 1.000 25.964 56.528 -4.960 -99.200 -91.000 HIS 301 0.900 5.307 74.750 -13.557 -99.200 -91.000 HIS 324 0.900 40.964 65.247 4.634 -99.200 -91.000 PHE 344 1.000 37.456 74.130 -10.490 -99.200 -91.000 PHE 347 1.000 27.160 65.944 -7.465 -99.200 -91.000 HIS 368 0.900 22.498 39.351 -10.910 -99.200 -91.000 HIS 388 0.900 24.123 43.848 -29.241 -99.200 -91.000 HIS 390 0.900 18.835 40.903 -22.974 -99.200 -91.000 PHE 436 1.000 19.634 30.411 -17.584 -99.200 -91.000 TRP 438 1.040 9.287 29.435 -21.648 -99.200 -91.000 TRP6 438 1.020 9.101 30.972 -19.866 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hu3A1 LEU 17 HA 0.01 -0.03 0.21 -0.75 4.35 3.78 3hu3A1 LEU 17 HB2 0.00 -0.05 0.08 -0.04 1.64 1.63 3hu3A1 LEU 17 HB3 0.02 0.04 -0.01 -0.04 1.64 1.66 3hu3A1 LEU 17 HG 0.02 0.00 0.01 -0.04 1.64 1.63 3hu3A1 LEU 17 HD13 0.00 -0.01 0.06 -0.04 0.93 0.94 3hu3A1 LEU 17 HD23 0.05 0.00 -0.11 -0.04 0.89 0.79 3hu3A1 LYS 18 H 0.01 0.09 0.05 -0.55 8.42 8.02 3hu3A1 LYS 18 HA 0.00 0.18 0.60 -0.75 4.32 4.34 3hu3A1 LYS 18 HB2 0.00 -0.10 0.14 -0.04 1.87 1.88 3hu3A1 LYS 18 HB3 0.00 0.01 0.07 -0.04 1.79 1.83 3hu3A1 LYS 18 HG2 0.00 0.00 -0.02 -0.04 1.46 1.40 3hu3A1 LYS 18 HG3 0.00 0.04 -0.19 -0.04 1.46 1.28 3hu3A1 LYS 18 HD2 0.00 0.02 -0.04 -0.04 1.69 1.63 3hu3A1 LYS 18 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.59 3hu3A1 LYS 18 HE2 0.00 0.01 -0.05 -0.04 2.99 2.92 3hu3A1 LYS 18 HE3 0.00 -0.03 -0.03 -0.04 2.99 2.89 3hu3A1 GLN 19 H 0.01 0.10 0.08 -0.55 8.47 8.11 3hu3A1 GLN 19 HA 0.02 0.12 0.51 -0.75 4.36 4.26 3hu3A1 GLN 19 HB2 0.02 -0.00 0.02 -0.04 2.15 2.15 3hu3A1 GLN 19 HB3 0.01 -0.05 0.11 -0.04 2.02 2.05 3hu3A1 GLN 19 HG2 0.01 0.04 -0.30 -0.04 2.40 2.11 3hu3A1 GLN 19 HG3 0.02 0.04 -0.04 -0.04 2.39 2.37 3hu3A1 GLN 19 HE21 0.02 -0.01 -0.02 -0.04 6.97 6.92 3hu3A1 GLN 19 HE22 0.01 -0.06 -0.02 -0.04 7.69 7.58 3hu3A1 LYS 20 H 0.02 0.17 0.17 -0.55 8.42 8.22 3hu3A1 LYS 20 HA 0.01 0.06 0.58 -0.75 4.32 4.22 3hu3A1 LYS 20 HB2 0.01 0.01 0.02 -0.04 1.87 1.87 3hu3A1 LYS 20 HB3 0.01 0.05 0.00 -0.04 1.79 1.81 3hu3A1 LYS 20 HG2 0.01 0.11 0.00 -0.04 1.46 1.54 3hu3A1 LYS 20 HG3 0.01 0.01 -0.00 -0.04 1.46 1.44 3hu3A1 LYS 20 HD2 0.00 -0.01 -0.02 -0.04 1.69 1.63 3hu3A1 LYS 20 HD3 0.00 -0.01 -0.12 -0.04 1.68 1.52 3hu3A1 LYS 20 HE2 0.01 0.06 -0.13 -0.04 2.99 2.89 3hu3A1 LYS 20 HE3 0.00 0.01 -0.04 -0.04 2.99 2.93 3hu3A1 ASN 21 H 0.01 0.09 0.14 -0.55 8.53 8.22 3hu3A1 ASN 21 HA 0.01 0.11 0.64 -0.75 4.76 4.76 3hu3A1 ASN 21 HB2 0.00 -0.05 0.15 -0.04 2.88 2.95 3hu3A1 ASN 21 HB3 0.00 0.04 0.00 -0.04 2.79 2.79 3hu3A1 ASN 21 HD21 0.00 -0.03 -0.00 -0.04 7.03 6.96 3hu3A1 ASN 21 HD22 0.00 0.03 0.01 -0.04 7.74 7.74 3hu3A1 ARG 22 H 0.01 0.31 0.27 -0.55 8.46 8.49 3hu3A1 ARG 22 HA 0.01 0.18 0.70 -0.75 4.34 4.46 3hu3A1 ARG 22 HB2 0.01 -0.01 0.03 -0.04 1.90 1.89 3hu3A1 ARG 22 HB3 0.01 -0.01 0.08 -0.04 1.80 1.83 3hu3A1 ARG 22 HG2 0.01 0.01 -0.58 -0.04 1.67 1.07 3hu3A1 ARG 22 HG3 0.02 0.02 -0.10 -0.04 1.67 1.57 3hu3A1 ARG 22 HD2 0.01 -0.02 0.01 -0.04 3.22 3.19 3hu3A1 ARG 22 HD3 0.01 0.11 0.07 -0.04 3.22 3.36 3hu3A1 PRO 23 HA -0.00 0.09 0.40 -0.51 4.44 4.42 3hu3A1 PRO 23 HB2 -0.00 0.08 0.00 -0.04 2.28 2.32 3hu3A1 PRO 23 HB3 -0.01 0.01 0.07 -0.04 2.02 2.06 3hu3A1 PRO 23 HG2 -0.00 0.07 0.07 -0.04 2.03 2.13 3hu3A1 PRO 23 HG3 -0.00 0.01 0.05 -0.04 2.03 2.05 3hu3A1 PRO 23 HD2 0.00 0.12 0.19 -0.04 3.68 3.96 3hu3A1 PRO 23 HD3 0.00 0.14 0.21 -0.04 3.65 3.96 3hu3A1 ASN 24 H 0.01 0.06 -0.23 -0.55 8.53 7.82 3hu3A1 ASN 24 HA -0.00 0.20 0.75 -0.75 4.76 4.96 3hu3A1 ASN 24 HB2 0.00 0.29 0.30 -0.04 2.88 3.43 3hu3A1 ASN 24 HB3 0.00 -0.03 0.07 -0.04 2.79 2.79 3hu3A1 ASN 24 HD21 0.02 -0.05 -0.03 -0.04 7.03 6.93 3hu3A1 ASN 24 HD22 0.01 0.26 0.08 -0.04 7.74 8.05 3hu3A1 ARG 25 H 0.01 0.32 -0.36 -0.55 8.46 7.88 3hu3A1 ARG 25 HA 0.01 0.37 1.14 -0.75 4.34 5.11 3hu3A1 ARG 25 HB2 0.01 -0.11 0.18 -0.04 1.90 1.93 3hu3A1 ARG 25 HB3 0.01 -0.03 -0.01 -0.04 1.80 1.72 3hu3A1 ARG 25 HG2 0.02 -0.03 -0.07 -0.04 1.67 1.54 3hu3A1 ARG 25 HG3 0.02 0.16 -0.05 -0.04 1.67 1.76 3hu3A1 ARG 25 HD2 0.02 -0.02 -0.17 -0.04 3.22 3.01 3hu3A1 ARG 25 HD3 0.02 -0.07 -0.04 -0.04 3.22 3.09 3hu3A1 LEU 26 H 0.01 0.62 0.29 -0.55 8.37 8.75 3hu3A1 LEU 26 HA 0.00 0.24 0.87 -0.75 4.35 4.71 3hu3A1 LEU 26 HB2 0.00 -0.04 -0.23 -0.04 1.64 1.33 3hu3A1 LEU 26 HB3 0.00 -0.05 -0.39 -0.04 1.64 1.16 3hu3A1 LEU 26 HG 0.00 -0.04 -0.65 -0.04 1.64 0.90 3hu3A1 LEU 26 HD13 -0.00 0.00 -0.26 -0.04 0.93 0.63 3hu3A1 LEU 26 HD23 -0.00 0.08 -0.21 -0.04 0.89 0.72 3hu3A1 ILE 27 H 0.00 0.67 0.40 -0.55 8.25 8.77 3hu3A1 ILE 27 HA 0.01 0.30 0.71 -0.75 4.18 4.44 3hu3A1 ILE 27 HB 0.00 -0.04 0.11 -0.04 1.89 1.92 3hu3A1 ILE 27 HG12 0.01 0.10 -0.06 -0.04 1.49 1.49 3hu3A1 ILE 27 HG13 0.00 -0.00 -0.06 -0.04 1.21 1.11 3hu3A1 ILE 27 HG23 0.00 -0.02 -0.19 -0.04 0.93 0.68 3hu3A1 ILE 27 HD13 0.00 -0.03 -0.02 -0.04 0.88 0.79 3hu3A1 VAL 28 H 0.01 0.71 0.23 -0.55 8.24 8.64 3hu3A1 VAL 28 HA 0.01 0.17 0.45 -0.75 4.13 4.00 3hu3A1 VAL 28 HB 0.01 -0.03 0.13 -0.04 2.12 2.19 3hu3A1 VAL 28 HG13 0.01 -0.03 -0.32 -0.04 0.97 0.59 3hu3A1 VAL 28 HG23 0.01 0.04 -0.19 -0.04 0.95 0.77 3hu3A1 ASP 29 H 0.01 0.82 0.46 -0.55 8.40 9.13 3hu3A1 ASP 29 HA 0.00 0.05 0.88 -0.75 4.63 4.81 3hu3A1 ASP 29 HB2 0.00 0.04 -0.12 -0.04 2.71 2.59 3hu3A1 ASP 29 HB3 0.00 0.03 -0.15 -0.04 2.70 2.54 3hu3A1 GLU 30 H 0.01 0.07 0.16 -0.55 8.60 8.30 3hu3A1 GLU 30 HA 0.01 0.19 0.39 -0.75 4.29 4.13 3hu3A1 GLU 30 HB2 0.01 0.03 0.12 -0.04 2.09 2.20 3hu3A1 GLU 30 HB3 0.01 0.01 0.08 -0.04 1.99 2.04 3hu3A1 GLU 30 HG2 0.01 0.04 0.02 -0.04 2.34 2.36 3hu3A1 GLU 30 HG3 0.01 -0.18 -0.05 -0.04 2.34 2.08 3hu3A1 ALA 31 H 0.01 0.18 -0.10 -0.55 8.40 7.94 3hu3A1 ALA 31 HA 0.01 0.12 0.29 -0.75 4.34 4.00 3hu3A1 ALA 31 HB3 0.01 0.02 -0.12 -0.04 1.41 1.27 3hu3A1 ILE 32 H 0.01 0.14 0.02 -0.55 8.25 7.87 3hu3A1 ILE 32 HA 0.01 -0.00 0.50 -0.75 4.18 3.94 3hu3A1 ILE 32 HB 0.01 0.05 0.03 -0.04 1.89 1.93 3hu3A1 ILE 32 HG12 0.01 -0.02 0.07 -0.04 1.49 1.51 3hu3A1 ILE 32 HG13 0.01 -0.03 0.08 -0.04 1.21 1.22 3hu3A1 ILE 32 HG23 0.01 0.02 0.03 -0.04 0.93 0.95 3hu3A1 ILE 32 HD13 0.01 0.02 0.02 -0.04 0.88 0.88 3hu3A1 ASN 33 H 0.02 0.09 0.21 -0.55 8.53 8.31 3hu3A1 ASN 33 HA 0.01 0.02 0.34 -0.75 4.76 4.38 3hu3A1 ASN 33 HB2 0.00 0.21 -0.06 -0.04 2.88 2.99 3hu3A1 ASN 33 HB3 0.00 0.01 0.12 -0.04 2.79 2.88 3hu3A1 ASN 33 HD21 -0.00 -0.01 -0.07 -0.04 7.03 6.91 3hu3A1 ASN 33 HD22 -0.00 0.05 -0.11 -0.04 7.74 7.63 3hu3A1 GLU 34 H 0.02 0.28 -0.66 -0.55 8.60 7.69 3hu3A1 GLU 34 HA 0.01 0.04 0.55 -0.75 4.29 4.14 3hu3A1 GLU 34 HB2 0.01 -0.01 -0.02 -0.04 2.09 2.02 3hu3A1 GLU 34 HB3 0.02 -0.09 0.04 -0.04 1.99 1.92 3hu3A1 GLU 34 HG2 0.01 0.01 -0.08 -0.04 2.34 2.25 3hu3A1 GLU 34 HG3 0.01 0.24 0.04 -0.04 2.34 2.59 3hu3A1 ASP 35 H 0.01 0.10 0.18 -0.55 8.40 8.14 3hu3A1 ASP 35 HA 0.03 0.10 0.61 -0.75 4.63 4.62 3hu3A1 ASP 35 HB2 -0.01 0.08 0.16 -0.04 2.71 2.90 3hu3A1 ASP 35 HB3 -0.01 -0.01 0.14 -0.04 2.70 2.79 3hu3A1 ASN 36 H 0.08 0.18 0.19 -0.55 8.53 8.43 3hu3A1 ASN 36 HA 0.06 -0.01 0.39 -0.75 4.76 4.45 3hu3A1 ASN 36 HB2 0.16 0.06 0.09 -0.04 2.88 3.15 3hu3A1 ASN 36 HB3 0.12 0.06 0.10 -0.04 2.79 3.03 3hu3A1 ASN 36 HD21 0.20 0.07 0.15 -0.04 7.03 7.41 3hu3A1 ASN 36 HD22 0.32 0.06 0.06 -0.04 7.74 8.14 3hu3A1 SER 37 H -0.01 -0.00 -0.37 -0.55 8.46 7.54 3hu3A1 SER 37 HA 0.01 0.33 0.92 -0.75 4.49 5.00 3hu3A1 SER 37 HB2 -0.04 -0.04 0.04 -0.04 3.95 3.88 3hu3A1 SER 37 HB3 -0.01 0.03 0.20 -0.04 3.93 4.11 3hu3A1 VAL 38 H 0.01 0.35 -0.19 -0.55 8.24 7.86 3hu3A1 VAL 38 HA 0.00 0.36 1.01 -0.75 4.13 4.75 3hu3A1 VAL 38 HB 0.00 -0.07 0.09 -0.04 2.12 2.11 3hu3A1 VAL 38 HG13 0.00 -0.01 -0.17 -0.04 0.97 0.75 3hu3A1 VAL 38 HG23 -0.01 -0.03 -0.14 -0.04 0.95 0.74 3hu3A1 VAL 39 H 0.00 0.73 0.37 -0.55 8.24 8.80 3hu3A1 VAL 39 HA 0.01 0.26 0.81 -0.75 4.13 4.46 3hu3A1 VAL 39 HB 0.00 0.02 -0.05 -0.04 2.12 2.05 3hu3A1 VAL 39 HG13 0.01 -0.02 -0.22 -0.04 0.97 0.70 3hu3A1 VAL 39 HG23 0.00 -0.01 -0.25 -0.04 0.95 0.65 3hu3A1 SER 40 H 0.00 0.50 0.25 -0.55 8.46 8.67 3hu3A1 SER 40 HA -0.00 0.36 1.18 -0.75 4.49 5.27 3hu3A1 SER 40 HB2 0.00 -0.11 0.06 -0.04 3.95 3.86 3hu3A1 SER 40 HB3 -0.00 -0.00 -0.10 -0.04 3.93 3.79 3hu3A1 LEU 41 H -0.01 0.31 0.13 -0.55 8.37 8.26 3hu3A1 LEU 41 HA -0.01 0.29 0.85 -0.75 4.35 4.73 3hu3A1 LEU 41 HB2 -0.02 -0.05 -0.11 -0.04 1.64 1.42 3hu3A1 LEU 41 HB3 -0.02 -0.01 0.10 -0.04 1.64 1.68 3hu3A1 LEU 41 HG -0.01 -0.05 -0.24 -0.04 1.64 1.30 3hu3A1 LEU 41 HD13 -0.02 0.01 -0.20 -0.04 0.93 0.68 3hu3A1 LEU 41 HD23 -0.01 0.04 -0.23 -0.04 0.89 0.66 3hu3A1 SER 42 H -0.01 0.25 0.10 -0.55 8.46 8.25 3hu3A1 SER 42 HA -0.01 0.23 0.76 -0.75 4.49 4.72 3hu3A1 SER 42 HB2 -0.01 -0.03 0.18 -0.04 3.95 4.04 3hu3A1 SER 42 HB3 -0.01 0.33 -0.09 -0.04 3.93 4.12 3hu3A1 GLN 43 H -0.02 0.16 0.13 -0.55 8.47 8.20 3hu3A1 GLN 43 HA -0.04 0.11 0.48 -0.75 4.36 4.15 3hu3A1 GLN 43 HB2 -0.02 -0.02 0.10 -0.04 2.15 2.17 3hu3A1 GLN 43 HB3 -0.02 0.04 0.11 -0.04 2.02 2.10 3hu3A1 GLN 43 HG2 -0.02 0.02 -0.01 -0.04 2.40 2.35 3hu3A1 GLN 43 HG3 -0.04 0.01 -0.14 -0.04 2.39 2.18 3hu3A1 GLN 43 HE21 -0.10 0.07 0.01 -0.04 6.97 6.91 3hu3A1 GLN 43 HE22 -0.09 -0.02 0.01 -0.04 7.69 7.55 3hu3A1 PRO 44 HA -0.04 0.10 0.50 -0.51 4.44 4.50 3hu3A1 PRO 44 HB2 -0.02 0.03 0.03 -0.04 2.28 2.28 3hu3A1 PRO 44 HB3 -0.02 0.08 0.08 -0.04 2.02 2.11 3hu3A1 PRO 44 HG2 -0.01 0.06 0.08 -0.04 2.03 2.12 3hu3A1 PRO 44 HG3 -0.02 0.07 0.07 -0.04 2.03 2.11 3hu3A1 PRO 44 HD2 -0.02 0.05 0.07 -0.04 3.68 3.74 3hu3A1 PRO 44 HD3 -0.02 0.07 0.16 -0.04 3.65 3.82 3hu3A1 LYS 45 H -0.03 0.08 -0.27 -0.55 8.42 7.64 3hu3A1 LYS 45 HA -0.03 0.09 0.49 -0.75 4.32 4.11 3hu3A1 LYS 45 HB2 -0.02 -0.01 0.20 -0.04 1.87 2.00 3hu3A1 LYS 45 HB3 -0.03 0.03 0.11 -0.04 1.79 1.86 3hu3A1 LYS 45 HG2 -0.01 0.15 0.04 -0.04 1.46 1.59 3hu3A1 LYS 45 HG3 -0.02 -0.04 -0.17 -0.04 1.46 1.19 3hu3A1 LYS 45 HD2 -0.01 0.23 0.05 -0.04 1.69 1.92 3hu3A1 LYS 45 HD3 -0.02 -0.16 0.12 -0.04 1.68 1.58 3hu3A1 LYS 45 HE2 -0.01 -0.24 0.03 -0.04 2.99 2.72 3hu3A1 LYS 45 HE3 -0.01 0.35 0.11 -0.04 2.99 3.40 3hu3A1 MET 46 H -0.05 0.40 -0.20 -0.55 8.47 8.08 3hu3A1 MET 46 HA -0.08 0.03 0.34 -0.75 4.52 4.05 3hu3A1 MET 46 HB2 -0.09 -0.01 0.14 -0.04 2.15 2.15 3hu3A1 MET 46 HB3 -0.14 0.32 0.00 -0.04 2.03 2.17 3hu3A1 MET 46 HG2 -0.05 0.00 -0.17 -0.04 2.63 2.37 3hu3A1 MET 46 HG3 -0.04 0.08 -0.12 -0.04 2.56 2.44 3hu3A1 MET 46 HE3 -0.03 0.02 -0.37 -0.04 2.10 1.68 3hu3A1 ASP 47 H -0.10 0.59 -0.09 -0.55 8.40 8.25 3hu3A1 ASP 47 HA -0.19 0.02 0.49 -0.75 4.63 4.20 3hu3A1 ASP 47 HB2 -0.06 0.05 0.19 -0.04 2.71 2.85 3hu3A1 ASP 47 HB3 -0.07 -0.03 0.00 -0.04 2.70 2.56 3hu3A1 GLU 48 H -0.05 0.73 -0.03 -0.55 8.60 8.71 3hu3A1 GLU 48 HA -0.03 -0.04 0.46 -0.75 4.29 3.93 3hu3A1 GLU 48 HB2 -0.03 -0.04 0.14 -0.04 2.09 2.12 3hu3A1 GLU 48 HB3 -0.03 0.15 0.20 -0.04 1.99 2.27 3hu3A1 GLU 48 HG2 -0.02 0.03 -0.14 -0.04 2.34 2.17 3hu3A1 GLU 48 HG3 -0.02 -0.07 0.06 -0.04 2.34 2.27 3hu3A1 LEU 49 H -0.06 0.55 -0.22 -0.55 8.37 8.10 3hu3A1 LEU 49 HA -0.02 0.07 0.39 -0.75 4.35 4.04 3hu3A1 LEU 49 HB2 -0.04 -0.02 -0.02 -0.04 1.64 1.51 3hu3A1 LEU 49 HB3 -0.02 -0.03 0.02 -0.04 1.64 1.57 3hu3A1 LEU 49 HG -0.03 0.10 -0.02 -0.04 1.64 1.65 3hu3A1 LEU 49 HD13 -0.02 0.01 -0.12 -0.04 0.93 0.76 3hu3A1 LEU 49 HD23 -0.01 0.01 -0.27 -0.04 0.89 0.59 3hu3A1 GLN 50 H -0.10 0.27 -0.49 -0.55 8.47 7.60 3hu3A1 GLN 50 HA -0.20 -0.01 0.29 -0.75 4.36 3.69 3hu3A1 GLN 50 HB2 0.03 0.17 0.20 -0.04 2.15 2.51 3hu3A1 GLN 50 HB3 0.10 -0.12 0.20 -0.04 2.02 2.16 3hu3A1 GLN 50 HG2 0.00 -0.03 0.01 -0.04 2.40 2.35 3hu3A1 GLN 50 HG3 -0.01 0.12 -0.27 -0.04 2.39 2.20 3hu3A1 GLN 50 HE21 0.03 -0.06 0.01 -0.04 6.97 6.90 3hu3A1 GLN 50 HE22 0.02 0.01 0.00 -0.04 7.69 7.69 3hu3A1 LEU 51 H -0.20 0.68 0.03 -0.55 8.37 8.34 3hu3A1 LEU 51 HA 0.03 0.15 0.84 -0.75 4.35 4.61 3hu3A1 LEU 51 HB2 -0.08 -0.11 -0.03 -0.04 1.64 1.38 3hu3A1 LEU 51 HB3 -0.01 0.00 -0.12 -0.04 1.64 1.46 3hu3A1 LEU 51 HG -0.03 0.05 -0.35 -0.04 1.64 1.27 3hu3A1 LEU 51 HD13 -0.02 -0.02 -0.21 -0.04 0.93 0.64 3hu3A1 LEU 51 HD23 0.02 0.03 -0.19 -0.04 0.89 0.70 3hu3A1 PHE 52 H 0.24 0.20 0.12 -0.55 8.34 8.34 3hu3A1 PHE 52 HA -0.00 0.10 0.77 -0.75 4.62 4.73 3hu3A1 PHE 52 HB2 -0.01 0.03 0.03 -0.04 3.15 3.17 3hu3A1 PHE 52 HB3 -0.01 -0.00 0.04 -0.04 3.06 3.05 3hu3A1 PHE 52 HD2 -0.00 0.00 -0.06 -0.04 7.28 7.18 3hu3A1 PHE 52 HE2 -0.00 0.03 -0.07 -0.04 7.38 7.30 3hu3A1 PHE 52 HZ -0.00 -0.01 -0.06 -0.04 7.32 7.21 3hu3A1 ARG 53 H 0.12 0.07 0.14 -0.55 8.46 8.23 3hu3A1 ARG 53 HA 0.04 0.11 0.49 -0.75 4.34 4.23 3hu3A1 ARG 53 HB2 0.04 -0.06 0.19 -0.04 1.90 2.03 3hu3A1 ARG 53 HB3 0.06 0.01 0.13 -0.04 1.80 1.96 3hu3A1 ARG 53 HG2 0.02 0.10 -0.06 -0.04 1.67 1.69 3hu3A1 ARG 53 HG3 0.02 -0.08 0.16 -0.04 1.67 1.73 3hu3A1 ARG 53 HD2 0.01 -0.04 0.05 -0.04 3.22 3.20 3hu3A1 ARG 53 HD3 0.02 -0.01 0.03 -0.04 3.22 3.22 3hu3A1 GLY 54 H 0.03 0.45 0.33 -0.55 8.43 8.69 3hu3A1 GLY 54 HA2 0.02 -0.01 0.35 -0.51 4.01 3.85 3hu3A1 GLY 54 HA3 0.02 0.06 0.50 -0.51 4.01 4.08 3hu3A1 ASP 55 H 0.06 0.47 -0.18 -0.55 8.40 8.20 3hu3A1 ASP 55 HA 0.04 0.01 0.47 -0.75 4.63 4.39 3hu3A1 ASP 55 HB2 0.06 -0.01 0.11 -0.04 2.71 2.83 3hu3A1 ASP 55 HB3 0.05 0.09 -0.01 -0.04 2.70 2.78 3hu3A1 THR 56 H 0.02 0.09 0.24 -0.55 8.28 8.08 3hu3A1 THR 56 HA 0.00 0.27 0.91 -0.75 4.39 4.83 3hu3A1 THR 56 HB 0.00 0.08 0.19 -0.04 4.32 4.55 3hu3A1 THR 56 HG23 -0.03 -0.01 -0.07 -0.04 1.22 1.07 3hu3A1 VAL 57 H -0.02 0.79 0.38 -0.55 8.24 8.84 3hu3A1 VAL 57 HA -0.02 0.10 1.00 -0.75 4.13 4.45 3hu3A1 VAL 57 HB -0.01 0.07 -0.09 -0.04 2.12 2.05 3hu3A1 VAL 57 HG13 0.00 -0.02 -0.37 -0.04 0.97 0.55 3hu3A1 VAL 57 HG23 -0.01 -0.00 -0.27 -0.04 0.95 0.62 3hu3A1 LEU 58 H -0.04 0.71 0.18 -0.55 8.37 8.68 3hu3A1 LEU 58 HA -0.09 0.25 1.05 -0.75 4.35 4.81 3hu3A1 LEU 58 HB2 -0.13 -0.07 -0.06 -0.04 1.64 1.34 3hu3A1 LEU 58 HB3 -0.03 0.02 0.04 -0.04 1.64 1.63 3hu3A1 LEU 58 HG -0.01 0.06 -0.36 -0.04 1.64 1.29 3hu3A1 LEU 58 HD13 -0.11 0.02 -0.09 -0.04 0.93 0.71 3hu3A1 LEU 58 HD23 0.03 -0.01 -0.10 -0.04 0.89 0.77 3hu3A1 LEU 59 H -0.02 0.76 0.37 -0.55 8.37 8.94 3hu3A1 LEU 59 HA 0.00 0.36 0.96 -0.75 4.35 4.92 3hu3A1 LEU 59 HB2 0.00 -0.08 -0.00 -0.04 1.64 1.52 3hu3A1 LEU 59 HB3 0.01 0.02 -0.10 -0.04 1.64 1.53 3hu3A1 LEU 59 HG -0.01 0.03 -0.29 -0.04 1.64 1.33 3hu3A1 LEU 59 HD13 0.01 -0.02 -0.26 -0.04 0.93 0.61 3hu3A1 LEU 59 HD23 -0.00 -0.00 -0.27 -0.04 0.89 0.57 3hu3A1 LYS 60 H 0.01 0.53 0.31 -0.55 8.42 8.72 3hu3A1 LYS 60 HA 0.02 0.31 1.00 -0.75 4.32 4.89 3hu3A1 LYS 60 HB2 0.02 -0.13 0.15 -0.04 1.87 1.87 3hu3A1 LYS 60 HB3 0.02 0.09 0.02 -0.04 1.79 1.88 3hu3A1 LYS 60 HG2 0.03 0.09 -0.12 -0.04 1.46 1.42 3hu3A1 LYS 60 HG3 0.02 -0.06 -0.37 -0.04 1.46 1.01 3hu3A1 LYS 60 HD2 0.03 -0.06 -0.09 -0.04 1.69 1.53 3hu3A1 LYS 60 HD3 0.03 0.03 -0.07 -0.04 1.68 1.63 3hu3A1 LYS 60 HE2 0.04 0.04 -0.10 -0.04 2.99 2.93 3hu3A1 LYS 60 HE3 0.03 -0.02 -0.14 -0.04 2.99 2.82 3hu3A1 GLY 61 H 0.02 0.64 0.09 -0.55 8.43 8.63 3hu3A1 GLY 61 HA2 0.01 0.07 0.85 -0.51 4.01 4.43 3hu3A1 GLY 61 HA3 0.01 0.19 0.43 -0.51 4.01 4.13 3hu3A1 LYS 62 H 0.00 0.54 0.23 -0.55 8.42 8.64 3hu3A1 LYS 62 HA 0.01 0.08 0.82 -0.75 4.32 4.48 3hu3A1 LYS 62 HB2 -0.01 0.26 0.19 -0.04 1.87 2.27 3hu3A1 LYS 62 HB3 -0.01 -0.16 0.18 -0.04 1.79 1.76 3hu3A1 LYS 62 HG2 0.02 -0.08 0.06 -0.04 1.46 1.41 3hu3A1 LYS 62 HG3 0.01 0.01 -0.02 -0.04 1.46 1.42 3hu3A1 LYS 62 HD2 0.00 0.42 0.19 -0.04 1.69 2.26 3hu3A1 LYS 62 HD3 0.00 -0.14 0.08 -0.04 1.68 1.59 3hu3A1 LYS 62 HE2 0.01 -0.01 0.08 -0.04 2.99 3.03 3hu3A1 LYS 62 HE3 0.01 -0.06 0.07 -0.04 2.99 2.96 3hu3A1 LYS 63 H -0.04 0.02 0.20 -0.55 8.42 8.04 3hu3A1 LYS 63 HA -0.09 0.11 0.40 -0.75 4.32 3.99 3hu3A1 LYS 63 HB2 -0.05 0.08 -0.13 -0.04 1.87 1.73 3hu3A1 LYS 63 HB3 -0.08 0.11 0.15 -0.04 1.79 1.93 3hu3A1 LYS 63 HG2 -0.13 -0.03 -0.01 -0.04 1.46 1.25 3hu3A1 LYS 63 HG3 -0.07 -0.19 -0.02 -0.04 1.46 1.14 3hu3A1 LYS 63 HD2 -0.08 0.06 -0.26 -0.04 1.69 1.37 3hu3A1 LYS 63 HD3 -0.09 -0.16 -0.39 -0.04 1.68 1.00 3hu3A1 LYS 63 HE2 -0.04 -0.17 -0.04 -0.04 2.99 2.70 3hu3A1 LYS 63 HE3 -0.04 0.03 -0.08 -0.04 2.99 2.86 3hu3A1 ARG 64 H -0.02 -0.01 -0.29 -0.55 8.46 7.59 3hu3A1 ARG 64 HA 0.00 -0.03 0.19 -0.75 4.34 3.74 3hu3A1 ARG 64 HB2 -0.03 0.20 -0.45 -0.04 1.90 1.57 3hu3A1 ARG 64 HB3 -0.00 -0.07 0.15 -0.04 1.80 1.84 3hu3A1 ARG 64 HG2 -0.02 0.16 -0.19 -0.04 1.67 1.58 3hu3A1 ARG 64 HG3 0.01 -0.08 -0.02 -0.04 1.67 1.54 3hu3A1 ARG 64 HD2 -0.01 0.06 -0.10 -0.04 3.22 3.14 3hu3A1 ARG 64 HD3 0.01 0.04 -0.30 -0.04 3.22 2.94 3hu3A1 ARG 65 H -0.00 0.47 -0.49 -0.55 8.46 7.88 3hu3A1 ARG 65 HA 0.02 0.05 0.54 -0.75 4.34 4.19 3hu3A1 ARG 65 HB2 0.01 -0.01 -0.02 -0.04 1.90 1.84 3hu3A1 ARG 65 HB3 0.02 0.20 0.10 -0.04 1.80 2.08 3hu3A1 ARG 65 HG2 -0.01 0.14 -0.06 -0.04 1.67 1.69 3hu3A1 ARG 65 HG3 -0.00 -0.11 -0.16 -0.04 1.67 1.36 3hu3A1 ARG 65 HD2 0.01 -0.01 0.00 -0.04 3.22 3.18 3hu3A1 ARG 65 HD3 -0.00 -0.07 -0.01 -0.04 3.22 3.10 3hu3A1 GLU 66 H 0.04 0.23 0.24 -0.55 8.60 8.57 3hu3A1 GLU 66 HA 0.03 0.29 0.95 -0.75 4.29 4.80 3hu3A1 GLU 66 HB2 0.07 -0.02 0.03 -0.04 2.09 2.14 3hu3A1 GLU 66 HB3 0.05 -0.07 0.00 -0.04 1.99 1.93 3hu3A1 GLU 66 HG2 0.04 0.03 -0.04 -0.04 2.34 2.33 3hu3A1 GLU 66 HG3 0.04 0.11 -0.44 -0.04 2.34 2.02 3hu3A1 ALA 67 H 0.01 0.57 0.29 -0.55 8.40 8.73 3hu3A1 ALA 67 HA 0.03 0.08 0.47 -0.75 4.34 4.17 3hu3A1 ALA 67 HB3 0.02 0.02 -0.12 -0.04 1.41 1.29 3hu3A1 VAL 68 H 0.00 0.17 0.05 -0.55 8.24 7.91 3hu3A1 VAL 68 HA -0.09 0.40 1.08 -0.75 4.13 4.77 3hu3A1 VAL 68 HB -0.05 -0.08 -0.09 -0.04 2.12 1.86 3hu3A1 VAL 68 HG13 -0.12 0.01 -0.12 -0.04 0.97 0.70 3hu3A1 VAL 68 HG23 -0.42 -0.01 -0.20 -0.04 0.95 0.28 3hu3A1 CYS 69 H -0.03 0.58 0.30 -0.55 8.50 8.80 3hu3A1 CYS 69 HA 0.00 0.23 0.85 -0.75 4.58 4.90 3hu3A1 CYS 69 HB2 -0.00 -0.06 -0.21 -0.04 2.97 2.66 3hu3A1 CYS 69 HB3 0.00 0.02 -0.14 -0.04 2.97 2.81 3hu3A1 ILE 70 H 0.00 1.00 0.48 -0.55 8.25 9.19 3hu3A1 ILE 70 HA 0.01 0.30 0.83 -0.75 4.18 4.56 3hu3A1 ILE 70 HB 0.00 -0.04 0.13 -0.04 1.89 1.94 3hu3A1 ILE 70 HG12 0.01 0.03 0.05 -0.04 1.49 1.54 3hu3A1 ILE 70 HG13 0.02 -0.02 0.01 -0.04 1.21 1.18 3hu3A1 ILE 70 HG23 0.01 -0.01 -0.15 -0.04 0.93 0.73 3hu3A1 ILE 70 HD13 0.02 0.06 -0.07 -0.04 0.88 0.85 3hu3A1 VAL 71 H 0.01 0.55 0.13 -0.55 8.24 8.38 3hu3A1 VAL 71 HA 0.00 0.31 0.96 -0.75 4.13 4.65 3hu3A1 VAL 71 HB 0.00 0.02 -0.17 -0.04 2.12 1.93 3hu3A1 VAL 71 HG13 0.01 0.03 -0.10 -0.04 0.97 0.87 3hu3A1 VAL 71 HG23 -0.01 -0.02 -0.26 -0.04 0.95 0.62 3hu3A1 LEU 72 H 0.00 0.77 0.40 -0.55 8.37 8.99 3hu3A1 LEU 72 HA 0.01 0.03 0.92 -0.75 4.35 4.55 3hu3A1 LEU 72 HB2 0.00 0.03 0.03 -0.04 1.64 1.66 3hu3A1 LEU 72 HB3 0.00 0.03 0.03 -0.04 1.64 1.66 3hu3A1 LEU 72 HG 0.00 0.05 -0.21 -0.04 1.64 1.44 3hu3A1 LEU 72 HD13 0.00 -0.01 -0.04 -0.04 0.93 0.84 3hu3A1 LEU 72 HD23 0.01 0.01 -0.01 -0.04 0.89 0.85 3hu3A1 SER 73 H -0.00 0.06 0.12 -0.55 8.46 8.10 3hu3A1 SER 73 HA -0.01 0.26 0.47 -0.75 4.49 4.46 3hu3A1 SER 73 HB2 -0.01 -0.07 -0.01 -0.04 3.95 3.81 3hu3A1 SER 73 HB3 -0.01 0.01 0.06 -0.04 3.93 3.95 3hu3A1 ASP 74 H -0.01 0.51 0.27 -0.55 8.40 8.62 3hu3A1 ASP 74 HA -0.00 0.07 0.73 -0.75 4.63 4.68 3hu3A1 ASP 74 HB2 -0.00 0.15 -0.21 -0.04 2.71 2.60 3hu3A1 ASP 74 HB3 -0.00 0.06 -0.07 -0.04 2.70 2.65 3hu3A1 ASP 75 H -0.00 0.21 0.12 -0.55 8.40 8.18 3hu3A1 ASP 75 HA -0.01 0.11 0.55 -0.75 4.63 4.53 3hu3A1 ASP 75 HB2 -0.00 0.04 0.12 -0.04 2.71 2.83 3hu3A1 ASP 75 HB3 -0.01 -0.00 0.09 -0.04 2.70 2.74 3hu3A1 THR 76 H -0.00 0.03 -0.20 -0.55 8.28 7.55 3hu3A1 THR 76 HA -0.00 0.17 0.69 -0.75 4.39 4.49 3hu3A1 THR 76 HB -0.00 0.02 0.08 -0.04 4.32 4.38 3hu3A1 THR 76 HG23 -0.00 -0.01 -0.02 -0.04 1.22 1.15 3hu3A1 CYS 77 H -0.00 0.30 -0.53 -0.55 8.50 7.71 3hu3A1 CYS 77 HA -0.00 0.08 0.61 -0.75 4.58 4.51 3hu3A1 CYS 77 HB2 -0.00 -0.08 -0.18 -0.04 2.97 2.67 3hu3A1 CYS 77 HB3 -0.01 0.11 -0.20 -0.04 2.97 2.84 3hu3A1 SER 78 H -0.00 0.13 0.10 -0.55 8.46 8.14 3hu3A1 SER 78 HA -0.00 0.08 0.48 -0.75 4.49 4.28 3hu3A1 SER 78 HB2 -0.00 -0.00 0.02 -0.04 3.95 3.93 3hu3A1 SER 78 HB3 -0.00 -0.05 0.07 -0.04 3.93 3.91 3hu3A1 ASP 79 H -0.01 0.14 0.19 -0.55 8.40 8.17 3hu3A1 ASP 79 HA -0.01 -0.02 0.37 -0.75 4.63 4.22 3hu3A1 ASP 79 HB2 -0.01 -0.00 0.13 -0.04 2.71 2.79 3hu3A1 ASP 79 HB3 -0.01 0.08 0.05 -0.04 2.70 2.77 3hu3A1 GLU 80 H -0.00 -0.03 -0.27 -0.55 8.60 7.75 3hu3A1 GLU 80 HA -0.00 0.27 0.50 -0.75 4.29 4.30 3hu3A1 GLU 80 HB2 -0.00 0.10 0.16 -0.04 2.09 2.31 3hu3A1 GLU 80 HB3 -0.00 -0.06 0.05 -0.04 1.99 1.93 3hu3A1 GLU 80 HG2 -0.00 0.03 -0.20 -0.04 2.34 2.13 3hu3A1 GLU 80 HG3 -0.00 0.02 -0.00 -0.04 2.34 2.32 3hu3A1 LYS 81 H -0.00 0.44 -0.49 -0.55 8.42 7.82 3hu3A1 LYS 81 HA 0.00 0.19 1.03 -0.75 4.32 4.79 3hu3A1 LYS 81 HB2 -0.00 -0.10 0.01 -0.04 1.87 1.73 3hu3A1 LYS 81 HB3 0.00 0.06 0.00 -0.04 1.79 1.81 3hu3A1 LYS 81 HG2 0.00 0.12 -0.11 -0.04 1.46 1.43 3hu3A1 LYS 81 HG3 -0.00 -0.17 -0.39 -0.04 1.46 0.86 3hu3A1 LYS 81 HD2 -0.00 -0.12 -0.03 -0.04 1.69 1.49 3hu3A1 LYS 81 HD3 0.00 0.01 -0.05 -0.04 1.68 1.60 3hu3A1 LYS 81 HE2 0.00 0.07 -0.08 -0.04 2.99 2.94 3hu3A1 LYS 81 HE3 0.00 -0.03 -0.06 -0.04 2.99 2.86 3hu3A1 ILE 82 H 0.00 0.66 0.17 -0.55 8.25 8.53 3hu3A1 ILE 82 HA -0.00 0.28 0.76 -0.75 4.18 4.47 3hu3A1 ILE 82 HB 0.00 0.04 -0.21 -0.04 1.89 1.68 3hu3A1 ILE 82 HG12 0.00 -0.02 -0.45 -0.04 1.49 0.98 3hu3A1 ILE 82 HG13 0.00 0.05 -0.15 -0.04 1.21 1.07 3hu3A1 ILE 82 HG23 0.00 -0.02 -0.29 -0.04 0.93 0.58 3hu3A1 ILE 82 HD13 0.00 -0.00 -0.26 -0.04 0.88 0.57 3hu3A1 ARG 83 H 0.00 0.60 0.21 -0.55 8.46 8.72 3hu3A1 ARG 83 HA 0.01 0.26 0.69 -0.75 4.34 4.55 3hu3A1 ARG 83 HB2 0.00 -0.09 0.11 -0.04 1.90 1.88 3hu3A1 ARG 83 HB3 0.00 0.02 -0.12 -0.04 1.80 1.66 3hu3A1 ARG 83 HG2 0.00 0.00 -0.15 -0.04 1.67 1.48 3hu3A1 ARG 83 HG3 0.00 -0.04 -0.11 -0.04 1.67 1.48 3hu3A1 ARG 83 HD2 0.00 -0.08 -0.07 -0.04 3.22 3.03 3hu3A1 ARG 83 HD3 0.00 0.17 0.04 -0.04 3.22 3.40 3hu3A1 MET 84 H 0.01 0.65 0.21 -0.55 8.47 8.79 3hu3A1 MET 84 HA 0.01 0.16 0.63 -0.75 4.52 4.57 3hu3A1 MET 84 HB2 0.02 -0.03 -0.00 -0.04 2.15 2.09 3hu3A1 MET 84 HB3 0.01 0.08 -0.27 -0.04 2.03 1.81 3hu3A1 MET 84 HG2 0.01 0.04 -0.11 -0.04 2.63 2.53 3hu3A1 MET 84 HG3 0.02 -0.01 -0.25 -0.04 2.56 2.27 3hu3A1 MET 84 HE3 0.01 0.02 -0.28 -0.04 2.10 1.81 3hu3A1 ASN 85 H 0.02 0.24 0.11 -0.55 8.53 8.35 3hu3A1 ASN 85 HA 0.02 0.05 0.57 -0.75 4.76 4.64 3hu3A1 ASN 85 HB2 0.03 -0.09 0.20 -0.04 2.88 2.97 3hu3A1 ASN 85 HB3 0.03 0.14 0.09 -0.04 2.79 3.01 3hu3A1 ASN 85 HD21 0.07 -0.09 -0.11 -0.04 7.03 6.86 3hu3A1 ASN 85 HD22 0.05 0.63 -0.09 -0.04 7.74 8.28 3hu3A1 ARG 86 H 0.03 0.14 0.16 -0.55 8.46 8.24 3hu3A1 ARG 86 HA 0.02 0.14 0.33 -0.75 4.34 4.07 3hu3A1 ARG 86 HB2 0.02 -0.02 0.13 -0.04 1.90 1.99 3hu3A1 ARG 86 HB3 0.03 0.01 0.06 -0.04 1.80 1.85 3hu3A1 ARG 86 HG2 0.02 0.04 -0.05 -0.04 1.67 1.64 3hu3A1 ARG 86 HG3 0.01 0.03 0.05 -0.04 1.67 1.73 3hu3A1 ARG 86 HD2 0.01 0.01 -0.02 -0.04 3.22 3.18 3hu3A1 ARG 86 HD3 0.01 0.05 -0.01 -0.04 3.22 3.23 3hu3A1 VAL 87 H 0.05 0.05 -0.11 -0.55 8.24 7.68 3hu3A1 VAL 87 HA 0.05 0.12 0.57 -0.75 4.13 4.12 3hu3A1 VAL 87 HB 0.08 -0.04 0.12 -0.04 2.12 2.24 3hu3A1 VAL 87 HG13 0.12 0.07 0.02 -0.04 0.97 1.15 3hu3A1 VAL 87 HG23 0.07 -0.01 0.08 -0.04 0.95 1.05 3hu3A1 VAL 88 H 0.04 0.04 -0.24 -0.55 8.24 7.53 3hu3A1 VAL 88 HA 0.05 0.15 0.43 -0.75 4.13 4.01 3hu3A1 VAL 88 HB 0.03 -0.03 0.00 -0.04 2.12 2.08 3hu3A1 VAL 88 HG13 0.02 0.02 -0.25 -0.04 0.97 0.72 3hu3A1 VAL 88 HG23 0.04 -0.00 -0.00 -0.04 0.95 0.95 3hu3A1 ARG 89 H 0.03 0.44 -0.15 -0.55 8.46 8.22 3hu3A1 ARG 89 HA 0.02 0.04 0.32 -0.75 4.34 3.96 3hu3A1 ARG 89 HB2 0.02 -0.03 0.02 -0.04 1.90 1.87 3hu3A1 ARG 89 HB3 0.01 0.24 -0.08 -0.04 1.80 1.93 3hu3A1 ARG 89 HG2 0.01 -0.02 -0.19 -0.04 1.67 1.43 3hu3A1 ARG 89 HG3 0.02 0.26 -0.23 -0.04 1.67 1.68 3hu3A1 ARG 89 HD2 0.01 0.02 -0.17 -0.04 3.22 3.04 3hu3A1 ARG 89 HD3 0.01 -0.03 -0.32 -0.04 3.22 2.84 3hu3A1 ASN 90 H 0.02 0.43 -0.30 -0.55 8.53 8.13 3hu3A1 ASN 90 HA 0.01 0.04 0.50 -0.75 4.76 4.55 3hu3A1 ASN 90 HB2 0.01 -0.06 0.11 -0.04 2.88 2.90 3hu3A1 ASN 90 HB3 0.02 0.08 0.18 -0.04 2.79 3.03 3hu3A1 ASN 90 HD21 0.01 -0.05 -0.09 -0.04 7.03 6.87 3hu3A1 ASN 90 HD22 0.03 0.10 -0.19 -0.04 7.74 7.63 3hu3A1 ASN 91 H 0.04 0.35 -0.21 -0.55 8.53 8.16 3hu3A1 ASN 91 HA 0.04 0.04 0.49 -0.75 4.76 4.57 3hu3A1 ASN 91 HB2 0.05 0.06 0.21 -0.04 2.88 3.15 3hu3A1 ASN 91 HB3 0.05 0.06 0.05 -0.04 2.79 2.91 3hu3A1 ASN 91 HD21 0.14 0.15 0.15 -0.04 7.03 7.43 3hu3A1 ASN 91 HD22 0.09 -0.05 0.04 -0.04 7.74 7.78 3hu3A1 LEU 92 H 0.02 0.33 -0.35 -0.55 8.37 7.82 3hu3A1 LEU 92 HA 0.02 0.15 0.47 -0.75 4.35 4.24 3hu3A1 LEU 92 HB2 0.02 0.01 -0.03 -0.04 1.64 1.60 3hu3A1 LEU 92 HB3 0.01 -0.10 -0.06 -0.04 1.64 1.46 3hu3A1 LEU 92 HG 0.02 0.05 -0.29 -0.04 1.64 1.39 3hu3A1 LEU 92 HD13 0.01 -0.03 -0.30 -0.04 0.93 0.57 3hu3A1 LEU 92 HD23 0.02 -0.00 -0.49 -0.04 0.89 0.38 3hu3A1 ARG 93 H 0.01 0.29 -0.56 -0.55 8.46 7.65 3hu3A1 ARG 93 HA -0.00 0.05 0.30 -0.75 4.34 3.94 3hu3A1 ARG 93 HB2 -0.01 0.05 0.11 -0.04 1.90 2.02 3hu3A1 ARG 93 HB3 -0.01 -0.09 0.18 -0.04 1.80 1.84 3hu3A1 ARG 93 HG2 -0.00 0.06 -0.22 -0.04 1.67 1.46 3hu3A1 ARG 93 HG3 -0.02 0.03 -0.06 -0.04 1.67 1.58 3hu3A1 ARG 93 HD2 -0.02 -0.00 0.10 -0.04 3.22 3.26 3hu3A1 ARG 93 HD3 -0.00 0.19 0.12 -0.04 3.22 3.49 3hu3A1 VAL 94 H 0.01 0.56 -0.03 -0.55 8.24 8.23 3hu3A1 VAL 94 HA 0.00 0.15 0.92 -0.75 4.13 4.45 3hu3A1 VAL 94 HB 0.01 -0.01 -0.06 -0.04 2.12 2.01 3hu3A1 VAL 94 HG13 0.01 0.06 -0.20 -0.04 0.97 0.81 3hu3A1 VAL 94 HG23 0.01 -0.03 -0.20 -0.04 0.95 0.70 3hu3A1 ARG 95 H 0.01 0.14 0.11 -0.55 8.46 8.16 3hu3A1 ARG 95 HA 0.01 0.18 0.82 -0.75 4.34 4.59 3hu3A1 ARG 95 HB2 0.00 0.08 -0.04 -0.04 1.90 1.90 3hu3A1 ARG 95 HB3 0.00 -0.06 0.11 -0.04 1.80 1.82 3hu3A1 ARG 95 HG2 0.00 0.08 -0.26 -0.04 1.67 1.45 3hu3A1 ARG 95 HG3 0.00 -0.02 -0.12 -0.04 1.67 1.49 3hu3A1 ARG 95 HD2 -0.00 0.01 -0.06 -0.04 3.22 3.13 3hu3A1 ARG 95 HD3 0.00 -0.01 -0.03 -0.04 3.22 3.14 3hu3A1 LEU 96 H 0.01 0.09 0.08 -0.55 8.37 8.00 3hu3A1 LEU 96 HA 0.01 0.16 0.43 -0.75 4.35 4.20 3hu3A1 LEU 96 HB2 0.01 -0.03 0.13 -0.04 1.64 1.71 3hu3A1 LEU 96 HB3 0.01 0.04 0.03 -0.04 1.64 1.67 3hu3A1 LEU 96 HG 0.01 -0.01 0.03 -0.04 1.64 1.62 3hu3A1 LEU 96 HD13 0.01 -0.01 0.02 -0.04 0.93 0.90 3hu3A1 LEU 96 HD23 0.01 0.00 -0.15 -0.04 0.89 0.71 3hu3A1 GLY 97 H 0.01 0.59 0.33 -0.55 8.43 8.81 3hu3A1 GLY 97 HA2 0.00 -0.03 0.38 -0.51 4.01 3.86 3hu3A1 GLY 97 HA3 0.01 0.10 0.72 -0.51 4.01 4.33 3hu3A1 ASP 98 H 0.01 0.52 -0.19 -0.55 8.40 8.19 3hu3A1 ASP 98 HA 0.01 0.05 0.60 -0.75 4.63 4.54 3hu3A1 ASP 98 HB2 0.01 0.09 0.11 -0.04 2.71 2.87 3hu3A1 ASP 98 HB3 0.01 0.10 0.12 -0.04 2.70 2.90 3hu3A1 VAL 99 H 0.01 0.10 0.18 -0.55 8.24 7.99 3hu3A1 VAL 99 HA 0.01 0.33 1.00 -0.75 4.13 4.72 3hu3A1 VAL 99 HB 0.02 -0.06 0.07 -0.04 2.12 2.10 3hu3A1 VAL 99 HG13 0.01 0.01 -0.15 -0.04 0.97 0.80 3hu3A1 VAL 99 HG23 0.01 -0.01 -0.14 -0.04 0.95 0.76 3hu3A1 ILE 100 H 0.01 0.60 0.35 -0.55 8.25 8.66 3hu3A1 ILE 100 HA 0.01 0.28 0.87 -0.75 4.18 4.59 3hu3A1 ILE 100 HB 0.01 0.13 0.06 -0.04 1.89 2.05 3hu3A1 ILE 100 HG12 0.01 -0.07 -0.23 -0.04 1.49 1.16 3hu3A1 ILE 100 HG13 0.01 0.05 -0.11 -0.04 1.21 1.12 3hu3A1 ILE 100 HG23 0.01 -0.03 -0.24 -0.04 0.93 0.63 3hu3A1 ILE 100 HD13 0.01 -0.01 -0.51 -0.04 0.88 0.33 3hu3A1 SER 101 H 0.01 0.49 0.34 -0.55 8.46 8.76 3hu3A1 SER 101 HA 0.01 0.40 1.17 -0.75 4.49 5.31 3hu3A1 SER 101 HB2 0.02 0.03 0.06 -0.04 3.95 4.02 3hu3A1 SER 101 HB3 0.02 -0.06 0.00 -0.04 3.93 3.86 3hu3A1 ILE 102 H 0.01 0.53 0.29 -0.55 8.25 8.53 3hu3A1 ILE 102 HA 0.00 0.30 0.89 -0.75 4.18 4.62 3hu3A1 ILE 102 HB -0.00 -0.03 -0.18 -0.04 1.89 1.63 3hu3A1 ILE 102 HG12 -0.00 -0.01 -0.33 -0.04 1.49 1.11 3hu3A1 ILE 102 HG13 -0.01 0.03 -0.13 -0.04 1.21 1.07 3hu3A1 ILE 102 HG23 -0.00 0.01 -0.07 -0.04 0.93 0.83 3hu3A1 ILE 102 HD13 -0.01 -0.03 -0.24 -0.04 0.88 0.57 3hu3A1 GLN 103 H -0.00 0.51 0.26 -0.55 8.47 8.69 3hu3A1 GLN 103 HA 0.01 0.13 0.59 -0.75 4.36 4.34 3hu3A1 GLN 103 HB2 0.01 0.02 0.15 -0.04 2.15 2.30 3hu3A1 GLN 103 HB3 0.01 0.00 -0.06 -0.04 2.02 1.94 3hu3A1 GLN 103 HG2 0.00 0.10 0.02 -0.04 2.40 2.48 3hu3A1 GLN 103 HG3 0.01 0.15 -0.09 -0.04 2.39 2.41 3hu3A1 GLN 103 HE21 0.03 -0.03 -0.03 -0.04 6.97 6.90 3hu3A1 GLN 103 HE22 0.03 0.05 -0.01 -0.04 7.69 7.72 3hu3A1 PRO 104 HA 0.01 0.09 0.60 -0.51 4.44 4.63 3hu3A1 PRO 104 HB2 0.03 -0.02 0.03 -0.04 2.28 2.28 3hu3A1 PRO 104 HB3 0.03 0.02 0.13 -0.04 2.02 2.16 3hu3A1 PRO 104 HG2 0.03 0.04 0.10 -0.04 2.03 2.16 3hu3A1 PRO 104 HG3 0.03 0.11 0.05 -0.04 2.03 2.18 3hu3A1 PRO 104 HD2 0.02 0.08 0.23 -0.04 3.68 3.97 3hu3A1 PRO 104 HD3 0.01 0.16 0.17 -0.04 3.65 3.95 3hu3A1 CYS 105 H -0.00 0.58 0.21 -0.55 8.50 8.73 3hu3A1 CYS 105 HA -0.00 0.16 0.70 -0.75 4.58 4.68 3hu3A1 CYS 105 HB2 -0.09 -0.01 -0.29 -0.04 2.97 2.54 3hu3A1 CYS 105 HB3 -0.08 -0.01 -0.19 -0.04 2.97 2.65 3hu3A1 PRO 106 HA 0.02 0.12 0.48 -0.51 4.44 4.55 3hu3A1 PRO 106 HB2 0.02 0.03 -0.04 -0.04 2.28 2.25 3hu3A1 PRO 106 HB3 0.02 0.02 0.10 -0.04 2.02 2.11 3hu3A1 PRO 106 HG2 0.03 0.05 0.01 -0.04 2.03 2.08 3hu3A1 PRO 106 HG3 0.03 0.04 0.01 -0.04 2.03 2.06 3hu3A1 PRO 106 HD2 0.03 0.07 0.07 -0.04 3.68 3.82 3hu3A1 PRO 106 HD3 0.02 0.24 -0.43 -0.04 3.65 3.44 3hu3A1 ASP 107 H 0.06 0.12 -0.23 -0.55 8.40 7.80 3hu3A1 ASP 107 HA 0.04 0.09 0.21 -0.75 4.63 4.21 3hu3A1 ASP 107 HB2 0.05 -0.00 0.08 -0.04 2.71 2.79 3hu3A1 ASP 107 HB3 0.07 -0.02 0.05 -0.04 2.70 2.76 3hu3A1 VAL 108 H 0.06 0.19 -0.72 -0.55 8.24 7.23 3hu3A1 VAL 108 HA 0.19 0.04 0.10 -0.75 4.13 3.70 3hu3A1 VAL 108 HB 0.08 -0.01 -0.12 -0.04 2.12 2.04 3hu3A1 VAL 108 HG13 0.05 0.02 -0.02 -0.04 0.97 0.98 3hu3A1 VAL 108 HG23 0.17 0.01 -0.29 -0.04 0.95 0.79 3hu3A1 LYS 109 H 0.12 0.19 0.20 -0.55 8.42 8.37 3hu3A1 LYS 109 HA -0.02 0.15 0.81 -0.75 4.32 4.51 3hu3A1 LYS 109 HB2 0.05 0.01 0.10 -0.04 1.87 1.98 3hu3A1 LYS 109 HB3 0.01 -0.01 0.12 -0.04 1.79 1.87 3hu3A1 LYS 109 HG2 0.03 0.23 0.04 -0.04 1.46 1.72 3hu3A1 LYS 109 HG3 0.01 -0.05 0.03 -0.04 1.46 1.40 3hu3A1 LYS 109 HD2 -0.04 -0.08 -0.01 -0.04 1.69 1.51 3hu3A1 LYS 109 HD3 -0.04 0.09 -0.23 -0.04 1.68 1.46 3hu3A1 LYS 109 HE2 0.01 0.23 -0.18 -0.04 2.99 3.01 3hu3A1 LYS 109 HE3 -0.00 -0.07 -0.02 -0.04 2.99 2.85 3hu3A1 TYR 110 H -0.01 0.11 0.18 -0.55 8.29 8.02 3hu3A1 TYR 110 HA 0.05 0.06 0.63 -0.75 4.56 4.54 3hu3A1 TYR 110 HB2 0.03 -0.02 0.13 -0.04 3.06 3.16 3hu3A1 TYR 110 HB3 0.02 0.04 0.03 -0.04 2.98 3.03 3hu3A1 TYR 110 HD2 0.08 -0.01 -0.04 -0.04 7.15 7.15 3hu3A1 TYR 110 HE2 0.13 0.03 -0.02 -0.04 6.85 6.94 3hu3A1 GLY 111 H 0.08 0.65 0.36 -0.55 8.43 8.98 3hu3A1 GLY 111 HA2 0.05 0.16 0.63 -0.51 4.01 4.34 3hu3A1 GLY 111 HA3 0.02 -0.03 0.25 -0.51 4.01 3.75 3hu3A1 LYS 112 H 0.03 0.66 0.48 -0.55 8.42 9.04 3hu3A1 LYS 112 HA 0.02 0.10 0.77 -0.75 4.32 4.46 3hu3A1 LYS 112 HB2 0.02 0.04 0.16 -0.04 1.87 2.04 3hu3A1 LYS 112 HB3 0.02 -0.06 0.06 -0.04 1.79 1.77 3hu3A1 LYS 112 HG2 0.03 -0.02 0.05 -0.04 1.46 1.47 3hu3A1 LYS 112 HG3 0.03 0.08 0.03 -0.04 1.46 1.56 3hu3A1 LYS 112 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.64 3hu3A1 LYS 112 HD3 0.02 -0.04 0.01 -0.04 1.68 1.62 3hu3A1 LYS 112 HE2 0.02 -0.03 0.00 -0.04 2.99 2.94 3hu3A1 LYS 112 HE3 0.02 0.06 -0.00 -0.04 2.99 3.03 3hu3A1 ARG 113 H 0.02 0.41 0.23 -0.55 8.46 8.57 3hu3A1 ARG 113 HA -0.01 0.13 0.57 -0.75 4.34 4.27 3hu3A1 ARG 113 HB2 0.23 0.05 0.06 -0.04 1.90 2.19 3hu3A1 ARG 113 HB3 0.10 0.07 -0.02 -0.04 1.80 1.91 3hu3A1 ARG 113 HG2 0.04 -0.07 -0.13 -0.04 1.67 1.48 3hu3A1 ARG 113 HG3 0.06 -0.02 -0.28 -0.04 1.67 1.39 3hu3A1 ARG 113 HD2 -0.01 -0.01 -0.15 -0.04 3.22 3.02 3hu3A1 ARG 113 HD3 0.08 0.01 -0.10 -0.04 3.22 3.17 3hu3A1 ILE 114 H 0.03 0.72 0.35 -0.55 8.25 8.80 3hu3A1 ILE 114 HA 0.07 0.19 0.84 -0.75 4.18 4.53 3hu3A1 ILE 114 HB 0.03 0.05 0.03 -0.04 1.89 1.96 3hu3A1 ILE 114 HG12 -0.14 0.05 -0.10 -0.04 1.49 1.26 3hu3A1 ILE 114 HG13 -0.03 -0.07 -0.27 -0.04 1.21 0.79 3hu3A1 ILE 114 HG23 -0.06 -0.01 -0.30 -0.04 0.93 0.52 3hu3A1 ILE 114 HD13 -0.34 -0.00 -0.18 -0.04 0.88 0.32 3hu3A1 HIS 115 H 0.17 0.86 0.34 -0.55 8.41 9.23 3hu3A1 HIS 115 HA 0.13 0.26 1.10 -0.75 4.63 5.37 3hu3A1 HIS 115 HB2 0.02 -0.03 -0.06 -0.04 3.26 3.15 3hu3A1 HIS 115 HB3 0.04 -0.11 0.09 -0.04 3.20 3.18 3hu3A1 HIS 115 HD2 0.09 0.28 -0.09 -0.04 6.97 7.21 3hu3A1 HIS 115 HE1 -0.03 -0.06 -0.02 -0.04 7.75 7.59 3hu3A1 VAL 116 H 0.27 0.77 0.37 -0.55 8.24 9.10 3hu3A1 VAL 116 HA 0.21 0.24 1.18 -0.75 4.13 5.01 3hu3A1 VAL 116 HB 0.22 0.00 -0.13 -0.04 2.12 2.17 3hu3A1 VAL 116 HG13 0.30 -0.03 -0.30 -0.04 0.97 0.90 3hu3A1 VAL 116 HG23 0.05 -0.00 -0.17 -0.04 0.95 0.79 3hu3A1 LEU 117 H 0.16 0.55 0.34 -0.55 8.37 8.87 3hu3A1 LEU 117 HA 0.19 0.22 0.72 -0.75 4.35 4.74 3hu3A1 LEU 117 HB2 0.04 -0.06 0.04 -0.04 1.64 1.62 3hu3A1 LEU 117 HB3 0.03 0.02 -0.04 -0.04 1.64 1.61 3hu3A1 LEU 117 HG 0.01 -0.06 -0.45 -0.04 1.64 1.10 3hu3A1 LEU 117 HD13 -0.05 0.04 -0.12 -0.04 0.93 0.77 3hu3A1 LEU 117 HD23 0.10 0.07 -0.36 -0.04 0.89 0.66 3hu3A1 PRO 118 HA -0.51 0.26 0.68 -0.51 4.44 4.35 3hu3A1 PRO 118 HB2 -0.30 0.06 -0.07 -0.04 2.28 1.93 3hu3A1 PRO 118 HB3 -0.51 0.01 0.04 -0.04 2.02 1.52 3hu3A1 PRO 118 HG2 -0.06 -0.04 0.01 -0.04 2.03 1.89 3hu3A1 PRO 118 HG3 -0.03 0.04 0.04 -0.04 2.03 2.03 3hu3A1 PRO 118 HD2 0.07 0.15 0.12 -0.04 3.68 3.98 3hu3A1 PRO 118 HD3 0.20 0.16 0.11 -0.04 3.65 4.08 3hu3A1 ILE 119 H -0.34 0.58 0.33 -0.55 8.25 8.27 3hu3A1 ILE 119 HA -0.11 0.28 0.85 -0.75 4.18 4.44 3hu3A1 ILE 119 HB -0.18 -0.07 0.11 -0.04 1.89 1.71 3hu3A1 ILE 119 HG12 -0.20 0.12 -0.21 -0.04 1.49 1.16 3hu3A1 ILE 119 HG13 -0.12 -0.00 -0.11 -0.04 1.21 0.94 3hu3A1 ILE 119 HG23 -0.09 -0.05 -0.09 -0.04 0.93 0.66 3hu3A1 ILE 119 HD13 -0.08 0.02 -0.19 -0.04 0.88 0.59 3hu3A1 ASP 120 H -0.08 0.68 0.21 -0.55 8.40 8.66 3hu3A1 ASP 120 HA -0.09 0.09 0.19 -0.75 4.63 4.07 3hu3A1 ASP 120 HB2 -0.05 0.01 -0.00 -0.04 2.71 2.63 3hu3A1 ASP 120 HB3 -0.05 0.13 -0.06 -0.04 2.70 2.68 3hu3A1 ASP 121 H -0.08 0.04 -0.05 -0.55 8.40 7.77 3hu3A1 ASP 121 HA -0.07 0.09 0.50 -0.75 4.63 4.40 3hu3A1 ASP 121 HB2 -0.06 0.08 0.18 -0.04 2.71 2.87 3hu3A1 ASP 121 HB3 -0.05 -0.05 0.13 -0.04 2.70 2.68 3hu3A1 THR 122 H -0.14 0.44 -0.50 -0.55 8.28 7.53 3hu3A1 THR 122 HA -0.13 0.23 0.95 -0.75 4.39 4.68 3hu3A1 THR 122 HB -0.26 0.15 0.40 -0.04 4.32 4.57 3hu3A1 THR 122 HG23 -0.17 -0.04 -0.03 -0.04 1.22 0.94 3hu3A1 VAL 123 H -0.12 0.35 -0.00 -0.55 8.24 7.91 3hu3A1 VAL 123 HA -0.13 0.27 0.91 -0.75 4.13 4.43 3hu3A1 VAL 123 HB -0.09 -0.07 0.12 -0.04 2.12 2.04 3hu3A1 VAL 123 HG13 -0.25 -0.00 -0.14 -0.04 0.97 0.53 3hu3A1 VAL 123 HG23 -0.11 0.02 -0.08 -0.04 0.95 0.74 3hu3A1 GLU 124 H -0.07 0.11 -0.06 -0.55 8.60 8.03 3hu3A1 GLU 124 HA -0.04 -0.04 0.49 -0.75 4.29 3.95 3hu3A1 GLU 124 HB2 -0.04 0.06 0.07 -0.04 2.09 2.13 3hu3A1 GLU 124 HB3 -0.03 -0.02 0.03 -0.04 1.99 1.93 3hu3A1 GLU 124 HG2 -0.04 -0.03 0.04 -0.04 2.34 2.27 3hu3A1 GLU 124 HG3 -0.05 0.10 0.11 -0.04 2.34 2.46 3hu3A1 GLY 125 H -0.02 0.04 0.21 -0.55 8.43 8.12 3hu3A1 GLY 125 HA2 -0.01 -0.03 0.31 -0.51 4.01 3.78 3hu3A1 GLY 125 HA3 -0.01 0.10 0.53 -0.51 4.01 4.12 3hu3A1 ILE 126 H -0.01 -0.02 0.09 -0.55 8.25 7.75 3hu3A1 ILE 126 HA -0.01 0.14 0.15 -0.75 4.18 3.71 3hu3A1 ILE 126 HB 0.01 -0.07 0.18 -0.04 1.89 1.96 3hu3A1 ILE 126 HG12 -0.01 -0.01 0.18 -0.04 1.49 1.61 3hu3A1 ILE 126 HG13 -0.00 -0.06 0.09 -0.04 1.21 1.19 3hu3A1 ILE 126 HG23 0.03 -0.02 -0.08 -0.04 0.93 0.82 3hu3A1 ILE 126 HD13 -0.02 0.00 0.05 -0.04 0.88 0.87 3hu3A1 THR 127 H 0.03 0.21 0.06 -0.55 8.28 8.02 3hu3A1 THR 127 HA 0.04 0.09 1.10 -0.75 4.39 4.87 3hu3A1 THR 127 HB 0.05 -0.08 0.03 -0.04 4.32 4.27 3hu3A1 THR 127 HG23 0.02 0.03 -0.01 -0.04 1.22 1.22 3hu3A1 GLY 128 H 0.06 0.12 0.01 -0.55 8.43 8.08 3hu3A1 GLY 128 HA2 0.07 -0.06 0.32 -0.51 4.01 3.83 3hu3A1 GLY 128 HA3 0.14 0.23 0.60 -0.51 4.01 4.47 3hu3A1 ASN 129 H 0.09 0.12 0.10 -0.55 8.53 8.30 3hu3A1 ASN 129 HA 0.12 0.12 0.66 -0.75 4.76 4.90 3hu3A1 ASN 129 HB2 0.09 0.09 0.15 -0.04 2.88 3.17 3hu3A1 ASN 129 HB3 0.11 -0.04 0.17 -0.04 2.79 2.98 3hu3A1 ASN 129 HD21 0.09 0.05 0.05 -0.04 7.03 7.18 3hu3A1 ASN 129 HD22 0.08 0.07 0.07 -0.04 7.74 7.93 3hu3A1 LEU 130 H 0.17 0.21 0.14 -0.55 8.37 8.35 3hu3A1 LEU 130 HA 0.43 0.16 0.24 -0.75 4.35 4.42 3hu3A1 LEU 130 HB2 0.22 -0.03 0.09 -0.04 1.64 1.88 3hu3A1 LEU 130 HB3 0.34 0.03 -0.02 -0.04 1.64 1.95 3hu3A1 LEU 130 HG 0.11 -0.00 0.08 -0.04 1.64 1.79 3hu3A1 LEU 130 HD13 0.12 0.03 0.02 -0.04 0.93 1.06 3hu3A1 LEU 130 HD23 -0.05 0.02 -0.10 -0.04 0.89 0.72 3hu3A1 PHE 131 H 0.28 0.10 -0.09 -0.55 8.34 8.07 3hu3A1 PHE 131 HA 0.06 0.07 0.37 -0.75 4.62 4.36 3hu3A1 PHE 131 HB2 0.02 0.05 0.07 -0.04 3.15 3.26 3hu3A1 PHE 131 HB3 0.03 -0.06 0.08 -0.04 3.06 3.07 3hu3A1 PHE 131 HD2 -0.00 -0.02 -0.10 -0.04 7.28 7.12 3hu3A1 PHE 131 HE2 -0.03 0.04 -0.04 -0.04 7.38 7.31 3hu3A1 PHE 131 HZ -0.03 0.08 -0.02 -0.04 7.32 7.31 3hu3A1 GLU 132 H 0.20 0.02 -0.25 -0.55 8.60 8.02 3hu3A1 GLU 132 HA -0.14 0.11 0.30 -0.75 4.29 3.80 3hu3A1 GLU 132 HB2 0.09 -0.06 0.09 -0.04 2.09 2.17 3hu3A1 GLU 132 HB3 0.03 0.07 -0.02 -0.04 1.99 2.02 3hu3A1 GLU 132 HG2 0.27 -0.08 0.01 -0.04 2.34 2.50 3hu3A1 GLU 132 HG3 0.11 0.02 0.02 -0.04 2.34 2.45 3hu3A1 VAL 133 H 0.06 0.47 -0.15 -0.55 8.24 8.06 3hu3A1 VAL 133 HA -0.16 0.10 0.45 -0.75 4.13 3.77 3hu3A1 VAL 133 HB -0.13 0.12 -0.02 -0.04 2.12 2.04 3hu3A1 VAL 133 HG13 -0.58 -0.00 -0.13 -0.04 0.97 0.21 3hu3A1 VAL 133 HG23 -0.03 -0.04 -0.00 -0.04 0.95 0.84 3hu3A1 TYR 134 H 0.15 0.28 -0.24 -0.55 8.29 7.92 3hu3A1 TYR 134 HA 0.04 0.28 0.92 -0.75 4.56 5.04 3hu3A1 TYR 134 HB2 0.16 0.04 0.07 -0.04 3.06 3.29 3hu3A1 TYR 134 HB3 0.18 -0.02 -0.14 -0.04 2.98 2.96 3hu3A1 TYR 134 HD2 0.09 0.04 -0.18 -0.04 7.15 7.06 3hu3A1 TYR 134 HE2 0.02 0.03 -0.21 -0.04 6.85 6.64 3hu3A1 LEU 135 H 0.04 0.31 0.17 -0.55 8.37 8.34 3hu3A1 LEU 135 HA 0.04 0.06 0.21 -0.75 4.35 3.90 3hu3A1 LEU 135 HB2 -0.05 -0.04 0.11 -0.04 1.64 1.63 3hu3A1 LEU 135 HB3 0.24 0.02 -0.06 -0.04 1.64 1.80 3hu3A1 LEU 135 HG -0.31 0.01 -0.11 -0.04 1.64 1.19 3hu3A1 LEU 135 HD13 -0.05 -0.02 -0.20 -0.04 0.93 0.63 3hu3A1 LEU 135 HD23 -0.64 0.01 -0.17 -0.04 0.89 0.04 3hu3A1 LYS 136 H -0.52 0.72 0.08 -0.55 8.42 8.15 3hu3A1 LYS 136 HA -0.30 -0.00 0.31 -0.75 4.32 3.58 3hu3A1 LYS 136 HB2 -1.23 -0.05 0.03 -0.04 1.87 0.59 3hu3A1 LYS 136 HB3 -0.33 0.15 0.09 -0.04 1.79 1.66 3hu3A1 LYS 136 HG2 -0.11 -0.01 -0.11 -0.04 1.46 1.19 3hu3A1 LYS 136 HG3 -0.13 -0.02 0.00 -0.04 1.46 1.27 3hu3A1 LYS 136 HD2 -0.03 -0.06 -0.02 -0.04 1.69 1.54 3hu3A1 LYS 136 HD3 -0.06 0.03 -0.04 -0.04 1.68 1.57 3hu3A1 LYS 136 HE2 0.02 0.00 -0.02 -0.04 2.99 2.95 3hu3A1 LYS 136 HE3 0.15 -0.00 -0.02 -0.04 2.99 3.08 3hu3A1 PRO 137 HA -0.05 0.01 0.39 -0.51 4.44 4.28 3hu3A1 PRO 137 HB2 -0.01 0.10 -0.02 -0.04 2.28 2.30 3hu3A1 PRO 137 HB3 -0.04 -0.05 0.08 -0.04 2.02 1.97 3hu3A1 PRO 137 HG2 -0.09 0.23 -0.12 -0.04 2.03 2.01 3hu3A1 PRO 137 HG3 -0.08 -0.02 0.02 -0.04 2.03 1.91 3hu3A1 PRO 137 HD2 -0.08 0.09 -0.89 -0.04 3.68 2.76 3hu3A1 PRO 137 HD3 -0.18 0.16 -0.11 -0.04 3.65 3.47 3hu3A1 TYR 138 H 0.06 0.39 -0.35 -0.55 8.29 7.84 3hu3A1 TYR 138 HA -0.12 0.01 0.45 -0.75 4.56 4.14 3hu3A1 TYR 138 HB2 -0.08 0.04 0.08 -0.04 3.06 3.05 3hu3A1 TYR 138 HB3 -0.34 0.02 0.12 -0.04 2.98 2.74 3hu3A1 TYR 138 HD2 -1.08 -0.00 -0.06 -0.04 7.15 5.96 3hu3A1 TYR 138 HE2 -0.62 -0.03 -0.04 -0.04 6.85 6.12 3hu3A1 PHE 139 H 0.06 0.65 0.02 -0.55 8.34 8.52 3hu3A1 PHE 139 HA -0.23 0.06 0.59 -0.75 4.62 4.29 3hu3A1 PHE 139 HB2 -0.05 0.09 0.02 -0.04 3.15 3.17 3hu3A1 PHE 139 HB3 -0.10 -0.05 0.01 -0.04 3.06 2.88 3hu3A1 PHE 139 HD2 -0.04 0.02 -0.04 -0.04 7.28 7.18 3hu3A1 PHE 139 HE2 -0.01 -0.02 -0.14 -0.04 7.38 7.17 3hu3A1 PHE 139 HZ -0.19 -0.02 -0.16 -0.04 7.32 6.91 3hu3A1 LEU 140 H -0.02 0.40 -0.27 -0.55 8.37 7.93 3hu3A1 LEU 140 HA -0.03 -0.10 0.29 -0.75 4.35 3.76 3hu3A1 LEU 140 HB2 -0.04 0.14 0.07 -0.04 1.64 1.77 3hu3A1 LEU 140 HB3 -0.04 0.08 0.13 -0.04 1.64 1.77 3hu3A1 LEU 140 HG -0.02 -0.00 -0.21 -0.04 1.64 1.36 3hu3A1 LEU 140 HD13 -0.02 -0.03 -0.01 -0.04 0.93 0.83 3hu3A1 LEU 140 HD23 -0.02 -0.02 -0.03 -0.04 0.89 0.78 3hu3A1 GLU 141 H -0.10 0.10 0.20 -0.55 8.60 8.26 3hu3A1 GLU 141 HA -0.10 -0.05 0.38 -0.75 4.29 3.78 3hu3A1 GLU 141 HB2 0.01 0.18 -0.16 -0.04 2.09 2.07 3hu3A1 GLU 141 HB3 0.07 -0.02 0.17 -0.04 1.99 2.17 3hu3A1 GLU 141 HG2 -0.02 -0.06 -0.12 -0.04 2.34 2.10 3hu3A1 GLU 141 HG3 0.01 -0.00 -0.05 -0.04 2.34 2.26 3hu3A1 ALA 142 H -0.06 0.44 -0.63 -0.55 8.40 7.60 3hu3A1 ALA 142 HA 0.04 0.09 0.57 -0.75 4.34 4.28 3hu3A1 ALA 142 HB3 -0.10 0.01 -0.02 -0.04 1.41 1.25 3hu3A1 TYR 143 H -0.18 0.10 -0.08 -0.55 8.29 7.58 3hu3A1 TYR 143 HA -0.07 0.19 0.19 -0.75 4.56 4.11 3hu3A1 TYR 143 HB2 -0.02 0.16 -0.17 -0.04 3.06 2.98 3hu3A1 TYR 143 HB3 -0.02 -0.04 0.09 -0.04 2.98 2.97 3hu3A1 TYR 143 HD2 -0.17 0.10 -0.26 -0.04 7.15 6.78 3hu3A1 TYR 143 HE2 -0.29 -0.02 0.01 -0.04 6.85 6.51 3hu3A1 ARG 144 H 0.05 0.08 -0.10 -0.55 8.46 7.93 3hu3A1 ARG 144 HA 0.03 0.17 0.38 -0.75 4.34 4.17 3hu3A1 ARG 144 HB2 0.23 -0.10 0.01 -0.04 1.90 1.99 3hu3A1 ARG 144 HB3 0.02 0.13 -0.04 -0.04 1.80 1.87 3hu3A1 ARG 144 HG2 -0.15 0.02 -0.06 -0.04 1.67 1.44 3hu3A1 ARG 144 HG3 -0.09 -0.05 -0.06 -0.04 1.67 1.43 3hu3A1 ARG 144 HD2 -0.73 -0.06 -0.12 -0.04 3.22 2.27 3hu3A1 ARG 144 HD3 -0.46 -0.03 -0.08 -0.04 3.22 2.61 3hu3A1 PRO 145 HA 0.08 0.20 0.74 -0.51 4.44 4.94 3hu3A1 PRO 145 HB2 0.01 0.01 -0.19 -0.04 2.28 2.08 3hu3A1 PRO 145 HB3 0.03 0.00 -0.02 -0.04 2.02 1.99 3hu3A1 PRO 145 HG2 0.02 0.11 -0.03 -0.04 2.03 2.09 3hu3A1 PRO 145 HG3 0.02 0.04 -0.13 -0.04 2.03 1.92 3hu3A1 PRO 145 HD2 0.02 -0.01 0.26 -0.04 3.68 3.90 3hu3A1 PRO 145 HD3 0.05 0.30 0.22 -0.04 3.65 4.18 3hu3A1 ILE 146 H 0.09 0.59 0.32 -0.55 8.25 8.70 3hu3A1 ILE 146 HA 0.08 0.18 0.70 -0.75 4.18 4.39 3hu3A1 ILE 146 HB 0.11 -0.03 -0.02 -0.04 1.89 1.91 3hu3A1 ILE 146 HG12 0.04 0.06 -0.14 -0.04 1.49 1.41 3hu3A1 ILE 146 HG13 0.09 -0.03 -0.29 -0.04 1.21 0.93 3hu3A1 ILE 146 HG23 0.15 0.01 -0.35 -0.04 0.93 0.69 3hu3A1 ILE 146 HD13 0.02 -0.02 -0.20 -0.04 0.88 0.64 3hu3A1 ARG 147 H 0.12 0.19 0.16 -0.55 8.46 8.37 3hu3A1 ARG 147 HA 0.18 0.29 1.14 -0.75 4.34 5.19 3hu3A1 ARG 147 HB2 0.12 -0.14 -0.11 -0.04 1.90 1.73 3hu3A1 ARG 147 HB3 0.11 0.03 -0.00 -0.04 1.80 1.90 3hu3A1 ARG 147 HG2 0.17 0.16 0.09 -0.04 1.67 2.04 3hu3A1 ARG 147 HG3 0.35 -0.10 -0.13 -0.04 1.67 1.75 3hu3A1 ARG 147 HD2 0.11 -0.08 -0.27 -0.04 3.22 2.94 3hu3A1 ARG 147 HD3 0.10 0.18 -0.06 -0.04 3.22 3.40 3hu3A1 LYS 148 H 0.10 0.69 0.27 -0.55 8.42 8.92 3hu3A1 LYS 148 HA 0.09 -0.04 0.40 -0.75 4.32 4.02 3hu3A1 LYS 148 HB2 0.05 -0.12 0.12 -0.04 1.87 1.89 3hu3A1 LYS 148 HB3 0.05 0.02 0.18 -0.04 1.79 2.01 3hu3A1 LYS 148 HG2 0.04 0.05 -0.17 -0.04 1.46 1.34 3hu3A1 LYS 148 HG3 0.05 0.10 -0.15 -0.04 1.46 1.41 3hu3A1 LYS 148 HD2 0.02 -0.13 0.08 -0.04 1.69 1.63 3hu3A1 LYS 148 HD3 0.02 -0.01 0.04 -0.04 1.68 1.70 3hu3A1 LYS 148 HE2 0.02 0.01 0.02 -0.04 2.99 2.99 3hu3A1 LYS 148 HE3 0.01 0.16 0.12 -0.04 2.99 3.24 3hu3A1 GLY 149 H 0.08 0.65 0.34 -0.55 8.43 8.96 3hu3A1 GLY 149 HA2 0.05 -0.05 0.39 -0.51 4.01 3.89 3hu3A1 GLY 149 HA3 0.05 0.18 0.73 -0.51 4.01 4.46 3hu3A1 ASP 150 H 0.13 0.46 -0.06 -0.55 8.40 8.38 3hu3A1 ASP 150 HA 0.11 0.11 0.58 -0.75 4.63 4.68 3hu3A1 ASP 150 HB2 0.21 -0.06 0.18 -0.04 2.71 3.00 3hu3A1 ASP 150 HB3 0.25 -0.02 -0.07 -0.04 2.70 2.81 3hu3A1 ILE 151 H 0.11 0.24 0.28 -0.55 8.25 8.33 3hu3A1 ILE 151 HA 0.06 0.31 1.06 -0.75 4.18 4.86 3hu3A1 ILE 151 HB 0.03 -0.02 0.09 -0.04 1.89 1.96 3hu3A1 ILE 151 HG12 0.04 0.14 -0.14 -0.04 1.49 1.49 3hu3A1 ILE 151 HG13 0.01 0.00 -0.01 -0.04 1.21 1.17 3hu3A1 ILE 151 HG23 -0.05 -0.03 -0.14 -0.04 0.93 0.66 3hu3A1 ILE 151 HD13 -0.01 -0.03 -0.07 -0.04 0.88 0.73 3hu3A1 PHE 152 H -0.21 0.63 0.29 -0.55 8.34 8.50 3hu3A1 PHE 152 HA 0.01 0.07 0.75 -0.75 4.62 4.69 3hu3A1 PHE 152 HB2 -0.05 0.01 0.04 -0.04 3.15 3.11 3hu3A1 PHE 152 HB3 0.05 0.09 -0.18 -0.04 3.06 2.98 3hu3A1 PHE 152 HD2 -0.29 0.05 -0.34 -0.04 7.28 6.65 3hu3A1 PHE 152 HE2 -0.27 -0.01 -0.23 -0.04 7.38 6.82 3hu3A1 PHE 152 HZ 0.03 -0.03 -0.20 -0.04 7.32 7.08 3hu3A1 LEU 153 H 0.09 0.14 0.18 -0.55 8.37 8.23 3hu3A1 LEU 153 HA -0.14 0.25 0.94 -0.75 4.35 4.64 3hu3A1 LEU 153 HB2 -0.04 -0.03 -0.01 -0.04 1.64 1.52 3hu3A1 LEU 153 HB3 0.02 -0.03 0.05 -0.04 1.64 1.64 3hu3A1 LEU 153 HG -0.15 0.05 -0.20 -0.04 1.64 1.29 3hu3A1 LEU 153 HD13 -0.17 0.02 -0.37 -0.04 0.93 0.38 3hu3A1 LEU 153 HD23 -0.04 -0.01 -0.11 -0.04 0.89 0.69 3hu3A1 VAL 154 H -0.07 0.58 0.30 -0.55 8.24 8.50 3hu3A1 VAL 154 HA 0.09 0.14 0.88 -0.75 4.13 4.49 3hu3A1 VAL 154 HB 0.28 -0.07 0.01 -0.04 2.12 2.30 3hu3A1 VAL 154 HG13 0.19 0.06 -0.11 -0.04 0.97 1.07 3hu3A1 VAL 154 HG23 -0.28 0.01 -0.28 -0.04 0.95 0.35 3hu3A1 HIS 155 H 0.28 0.15 0.16 -0.55 8.41 8.46 3hu3A1 HIS 155 HA 0.14 0.25 1.13 -0.75 4.63 5.39 3hu3A1 HIS 155 HB2 0.05 -0.04 0.16 -0.04 3.26 3.39 3hu3A1 HIS 155 HB3 0.04 0.10 -0.00 -0.04 3.20 3.29 3hu3A1 HIS 155 HD2 0.05 -0.02 -0.09 -0.04 6.97 6.87 3hu3A1 HIS 155 HE1 0.02 -0.02 -0.10 -0.04 7.75 7.61 3hu3A1 GLY 156 H 0.15 0.71 0.22 -0.55 8.43 8.97 3hu3A1 GLY 156 HA2 -0.17 0.14 0.78 -0.51 4.01 4.25 3hu3A1 GLY 156 HA3 -0.81 0.03 0.20 -0.51 4.01 2.92 3hu3A1 GLY 157 H -0.12 0.16 0.15 -0.55 8.43 8.07 3hu3A1 GLY 157 HA2 -0.04 0.03 0.35 -0.51 4.01 3.85 3hu3A1 GLY 157 HA3 -0.05 -0.00 0.59 -0.51 4.01 4.04 3hu3A1 MET 158 H 0.02 0.12 0.19 -0.55 8.47 8.25 3hu3A1 MET 158 HA 0.05 0.16 0.52 -0.75 4.52 4.50 3hu3A1 MET 158 HB2 0.02 -0.01 0.14 -0.04 2.15 2.26 3hu3A1 MET 158 HB3 0.03 0.01 0.22 -0.04 2.03 2.25 3hu3A1 MET 158 HG2 0.02 0.05 -0.04 -0.04 2.63 2.62 3hu3A1 MET 158 HG3 0.01 -0.06 -0.05 -0.04 2.56 2.42 3hu3A1 MET 158 HE3 0.00 -0.00 -0.00 -0.04 2.10 2.06 3hu3A1 ARG 159 H 0.09 0.50 -0.42 -0.55 8.46 8.08 3hu3A1 ARG 159 HA 0.05 0.15 0.94 -0.75 4.34 4.72 3hu3A1 ARG 159 HB2 0.11 -0.11 -0.10 -0.04 1.90 1.76 3hu3A1 ARG 159 HB3 0.23 0.04 -0.06 -0.04 1.80 1.97 3hu3A1 ARG 159 HG2 0.00 -0.02 0.13 -0.04 1.67 1.74 3hu3A1 ARG 159 HG3 0.03 -0.01 0.02 -0.04 1.67 1.67 3hu3A1 ARG 159 HD2 0.09 -0.03 -0.01 -0.04 3.22 3.24 3hu3A1 ARG 159 HD3 0.02 0.07 -0.02 -0.04 3.22 3.25 3hu3A1 ALA 160 H -0.05 0.25 0.21 -0.55 8.40 8.26 3hu3A1 ALA 160 HA -0.16 0.32 1.02 -0.75 4.34 4.76 3hu3A1 ALA 160 HB3 -0.46 -0.02 -0.03 -0.04 1.41 0.86 3hu3A1 VAL 161 H -0.16 0.66 0.32 -0.55 8.24 8.52 3hu3A1 VAL 161 HA -0.38 0.18 1.04 -0.75 4.13 4.21 3hu3A1 VAL 161 HB -0.75 -0.03 0.03 -0.04 2.12 1.33 3hu3A1 VAL 161 HG13 -1.09 -0.01 -0.15 -0.04 0.97 -0.33 3hu3A1 VAL 161 HG23 -0.63 0.07 -0.16 -0.04 0.95 0.19 3hu3A1 GLU 162 H -0.43 0.14 0.21 -0.55 8.60 7.98 3hu3A1 GLU 162 HA -0.32 0.25 0.91 -0.75 4.29 4.37 3hu3A1 GLU 162 HB2 -0.22 -0.02 0.05 -0.04 2.09 1.86 3hu3A1 GLU 162 HB3 -0.24 -0.10 0.07 -0.04 1.99 1.67 3hu3A1 GLU 162 HG2 -0.16 0.08 -0.14 -0.04 2.34 2.08 3hu3A1 GLU 162 HG3 -0.14 -0.01 -0.19 -0.04 2.34 1.95 3hu3A1 PHE 163 H -0.45 0.79 0.37 -0.55 8.34 8.49 3hu3A1 PHE 163 HA -0.25 0.20 0.96 -0.75 4.62 4.78 3hu3A1 PHE 163 HB2 -1.44 0.03 -0.05 -0.04 3.15 1.66 3hu3A1 PHE 163 HB3 -0.33 0.01 -0.18 -0.04 3.06 2.52 3hu3A1 PHE 163 HD2 -0.34 0.05 -0.32 -0.04 7.28 6.63 3hu3A1 PHE 163 HE2 -0.13 0.01 -0.15 -0.04 7.38 7.07 3hu3A1 PHE 163 HZ -0.22 -0.04 -0.12 -0.04 7.32 6.90 3hu3A1 LYS 164 H 0.04 0.58 0.29 -0.55 8.42 8.77 3hu3A1 LYS 164 HA 0.07 0.43 1.05 -0.75 4.32 5.11 3hu3A1 LYS 164 HB2 -0.01 -0.07 -0.03 -0.04 1.87 1.72 3hu3A1 LYS 164 HB3 0.03 -0.08 0.06 -0.04 1.79 1.76 3hu3A1 LYS 164 HG2 0.06 0.07 -0.32 -0.04 1.46 1.24 3hu3A1 LYS 164 HG3 0.05 0.16 -0.15 -0.04 1.46 1.47 3hu3A1 LYS 164 HD2 -0.00 -0.10 -0.08 -0.04 1.69 1.47 3hu3A1 LYS 164 HD3 0.01 -0.07 -0.12 -0.04 1.68 1.46 3hu3A1 LYS 164 HE2 0.03 0.06 -0.01 -0.04 2.99 3.03 3hu3A1 LYS 164 HE3 0.01 0.04 -0.03 -0.04 2.99 2.97 3hu3A1 VAL 165 H 0.21 0.64 0.18 -0.55 8.24 8.72 3hu3A1 VAL 165 HA 0.21 0.09 0.74 -0.75 4.13 4.41 3hu3A1 VAL 165 HB 0.17 -0.02 0.26 -0.04 2.12 2.48 3hu3A1 VAL 165 HG13 0.13 -0.02 -0.32 -0.04 0.97 0.72 3hu3A1 VAL 165 HG23 0.35 0.01 -0.07 -0.04 0.95 1.20 3hu3A1 VAL 166 H 0.12 0.70 0.49 -0.55 8.24 9.01 3hu3A1 VAL 166 HA 0.04 0.11 0.64 -0.75 4.13 4.16 3hu3A1 VAL 166 HB -0.02 0.03 -0.00 -0.04 2.12 2.09 3hu3A1 VAL 166 HG13 -0.06 -0.01 -0.08 -0.04 0.97 0.77 3hu3A1 VAL 166 HG23 0.01 0.01 -0.12 -0.04 0.95 0.81 3hu3A1 GLU 167 H 0.11 0.40 0.28 -0.55 8.60 8.84 3hu3A1 GLU 167 HA 0.05 0.16 0.64 -0.75 4.29 4.38 3hu3A1 GLU 167 HB2 0.02 0.04 -0.29 -0.04 2.09 1.82 3hu3A1 GLU 167 HB3 0.07 -0.09 -0.07 -0.04 1.99 1.86 3hu3A1 GLU 167 HG2 0.01 -0.04 -0.03 -0.04 2.34 2.25 3hu3A1 GLU 167 HG3 0.03 0.05 -0.08 -0.04 2.34 2.29 3hu3A1 THR 168 H 0.04 0.28 0.16 -0.55 8.28 8.21 3hu3A1 THR 168 HA 0.05 0.14 0.76 -0.75 4.39 4.59 3hu3A1 THR 168 HB 0.04 0.06 -0.07 -0.04 4.32 4.31 3hu3A1 THR 168 HG23 0.07 -0.02 -0.32 -0.04 1.22 0.91 3hu3A1 ASP 169 H 0.03 0.49 0.15 -0.55 8.40 8.52 3hu3A1 ASP 169 HA 0.00 0.00 0.49 -0.75 4.63 4.37 3hu3A1 ASP 169 HB2 0.01 0.05 -0.11 -0.04 2.71 2.63 3hu3A1 ASP 169 HB3 0.02 -0.07 0.13 -0.04 2.70 2.74 3hu3A1 PRO 170 HA -0.01 0.02 0.34 -0.51 4.44 4.29 3hu3A1 PRO 170 HB2 -0.03 0.16 -0.05 -0.04 2.28 2.32 3hu3A1 PRO 170 HB3 -0.02 0.03 0.11 -0.04 2.02 2.10 3hu3A1 PRO 170 HG2 0.03 0.04 0.08 -0.04 2.03 2.13 3hu3A1 PRO 170 HG3 0.01 -0.00 0.09 -0.04 2.03 2.10 3hu3A1 PRO 170 HD2 0.05 0.10 0.06 -0.04 3.68 3.84 3hu3A1 PRO 170 HD3 0.04 0.13 0.58 -0.04 3.65 4.36 3hu3A1 SER 171 H -0.05 0.17 0.16 -0.55 8.46 8.19 3hu3A1 SER 171 HA -0.06 0.10 0.80 -0.75 4.49 4.58 3hu3A1 SER 171 HB2 -0.02 0.18 0.09 -0.04 3.95 4.16 3hu3A1 SER 171 HB3 -0.04 -0.02 0.11 -0.04 3.93 3.95 3hu3A1 PRO 172 HA -0.04 -0.01 0.40 -0.51 4.44 4.28 3hu3A1 PRO 172 HB2 0.03 0.05 0.17 -0.04 2.28 2.49 3hu3A1 PRO 172 HB3 -0.02 0.04 0.11 -0.04 2.02 2.11 3hu3A1 PRO 172 HG2 -0.06 0.04 -0.01 -0.04 2.03 1.97 3hu3A1 PRO 172 HG3 -0.04 0.09 0.06 -0.04 2.03 2.09 3hu3A1 PRO 172 HD2 -0.63 0.07 0.22 -0.04 3.68 3.30 3hu3A1 PRO 172 HD3 -0.19 0.17 0.35 -0.04 3.65 3.93 3hu3A1 TYR 173 H -0.45 0.25 -0.06 -0.55 8.29 7.47 3hu3A1 TYR 173 HA 0.04 0.17 0.75 -0.75 4.56 4.77 3hu3A1 TYR 173 HB2 0.04 0.03 0.04 -0.04 3.06 3.14 3hu3A1 TYR 173 HB3 0.04 0.00 0.04 -0.04 2.98 3.02 3hu3A1 TYR 173 HD2 0.04 0.02 -0.29 -0.04 7.15 6.87 3hu3A1 TYR 173 HE2 0.03 -0.00 -0.15 -0.04 6.85 6.69 3hu3A1 CYS 174 H 0.18 0.50 0.31 -0.55 8.50 8.95 3hu3A1 CYS 174 HA 0.18 0.08 0.55 -0.75 4.58 4.64 3hu3A1 CYS 174 HB2 0.09 0.07 0.03 -0.04 2.97 3.13 3hu3A1 CYS 174 HB3 0.07 0.15 -0.28 -0.04 2.97 2.87 3hu3A1 ILE 175 H 0.17 0.57 0.18 -0.55 8.25 8.62 3hu3A1 ILE 175 HA 0.10 0.29 0.74 -0.75 4.18 4.55 3hu3A1 ILE 175 HB 0.39 -0.15 -0.09 -0.04 1.89 2.01 3hu3A1 ILE 175 HG12 0.19 -0.05 -0.35 -0.04 1.49 1.24 3hu3A1 ILE 175 HG13 0.31 0.01 -0.21 -0.04 1.21 1.28 3hu3A1 ILE 175 HG23 0.16 0.03 -0.42 -0.04 0.93 0.66 3hu3A1 ILE 175 HD13 0.13 0.04 -0.17 -0.04 0.88 0.84 3hu3A1 VAL 176 H -0.01 0.86 0.05 -0.55 8.24 8.58 3hu3A1 VAL 176 HA -0.17 0.05 0.69 -0.75 4.13 3.95 3hu3A1 VAL 176 HB -0.11 -0.08 0.17 -0.04 2.12 2.06 3hu3A1 VAL 176 HG13 -0.65 0.00 -0.14 -0.04 0.97 0.15 3hu3A1 VAL 176 HG23 -0.27 0.05 -0.14 -0.04 0.95 0.55 3hu3A1 ALA 177 H -0.23 0.21 0.11 -0.55 8.40 7.94 3hu3A1 ALA 177 HA -0.90 0.14 0.55 -0.75 4.34 3.38 3hu3A1 ALA 177 HB3 -0.63 0.02 0.06 -0.04 1.41 0.82 3hu3A1 PRO 178 HA -0.16 0.08 0.47 -0.51 4.44 4.32 3hu3A1 PRO 178 HB2 -0.09 0.01 0.06 -0.04 2.28 2.22 3hu3A1 PRO 178 HB3 -0.08 0.03 0.10 -0.04 2.02 2.03 3hu3A1 PRO 178 HG2 -0.07 0.06 0.10 -0.04 2.03 2.08 3hu3A1 PRO 178 HG3 -0.22 0.01 0.14 -0.04 2.03 1.91 3hu3A1 PRO 178 HD2 -0.41 0.10 0.21 -0.04 3.68 3.54 3hu3A1 PRO 178 HD3 -1.21 0.16 0.20 -0.04 3.65 2.76 3hu3A1 ASP 179 H -0.14 0.04 -0.33 -0.55 8.40 7.43 3hu3A1 ASP 179 HA -0.05 0.14 0.51 -0.75 4.63 4.47 3hu3A1 ASP 179 HB2 -0.02 0.00 -0.01 -0.04 2.71 2.65 3hu3A1 ASP 179 HB3 -0.01 0.02 0.12 -0.04 2.70 2.79 3hu3A1 THR 180 H -0.14 0.43 -0.45 -0.55 8.28 7.57 3hu3A1 THR 180 HA -0.06 0.27 0.56 -0.75 4.39 4.41 3hu3A1 THR 180 HB -0.17 0.01 -0.01 -0.04 4.32 4.10 3hu3A1 THR 180 HG23 -0.09 -0.02 -0.47 -0.04 1.22 0.60 3hu3A1 VAL 181 H -0.07 0.53 0.17 -0.55 8.24 8.31 3hu3A1 VAL 181 HA -0.19 0.06 0.52 -0.75 4.13 3.77 3hu3A1 VAL 181 HB -0.09 -0.03 0.24 -0.04 2.12 2.20 3hu3A1 VAL 181 HG13 -0.46 -0.03 -0.11 -0.04 0.97 0.33 3hu3A1 VAL 181 HG23 -0.07 0.05 0.07 -0.04 0.95 0.95 3hu3A1 ILE 182 H -0.24 0.18 0.15 -0.55 8.25 7.79 3hu3A1 ILE 182 HA -0.15 0.22 0.94 -0.75 4.18 4.44 3hu3A1 ILE 182 HB 0.20 -0.08 0.09 -0.04 1.89 2.06 3hu3A1 ILE 182 HG12 -0.29 0.00 -0.22 -0.04 1.49 0.94 3hu3A1 ILE 182 HG13 -0.12 0.15 -0.30 -0.04 1.21 0.89 3hu3A1 ILE 182 HG23 0.05 -0.02 -0.23 -0.04 0.93 0.69 3hu3A1 ILE 182 HD13 -0.01 -0.01 -0.12 -0.04 0.88 0.70 3hu3A1 HIS 183 H -0.12 0.78 0.35 -0.55 8.41 8.87 3hu3A1 HIS 183 HA -0.22 0.03 0.87 -0.75 4.63 4.56 3hu3A1 HIS 183 HB2 -0.97 0.02 0.28 -0.04 3.26 2.56 3hu3A1 HIS 183 HB3 -0.84 -0.07 0.10 -0.04 3.20 2.35 3hu3A1 HIS 183 HD2 -0.12 0.17 -0.06 -0.04 6.97 6.91 3hu3A1 HIS 183 HE1 -0.08 -0.01 -0.06 -0.04 7.75 7.56 3hu3A1 CYS 184 H -0.01 0.09 0.15 -0.55 8.50 8.19 3hu3A1 CYS 184 HA 0.19 0.61 0.83 -0.75 4.58 5.45 3hu3A1 CYS 184 HB2 0.20 0.02 0.12 -0.04 2.97 3.27 3hu3A1 CYS 184 HB3 0.10 0.03 -0.13 -0.04 2.97 2.93 3hu3A1 GLU 185 H 0.11 0.04 0.07 -0.55 8.60 8.27 3hu3A1 GLU 185 HA 0.11 0.11 0.71 -0.75 4.29 4.46 3hu3A1 GLU 185 HB2 0.08 0.00 0.09 -0.04 2.09 2.22 3hu3A1 GLU 185 HB3 0.07 -0.07 0.11 -0.04 1.99 2.06 3hu3A1 GLU 185 HG2 0.19 0.06 -0.20 -0.04 2.34 2.35 3hu3A1 GLU 185 HG3 0.09 0.01 -0.05 -0.04 2.34 2.34 3hu3A1 GLY 186 H 0.08 0.13 0.19 -0.55 8.43 8.28 3hu3A1 GLY 186 HA2 0.04 -0.03 0.29 -0.51 4.01 3.79 3hu3A1 GLY 186 HA3 0.04 0.24 0.73 -0.51 4.01 4.52 3hu3A1 GLU 187 H 0.00 0.10 0.11 -0.55 8.60 8.26 3hu3A1 GLU 187 HA 0.00 0.08 0.57 -0.75 4.29 4.19 3hu3A1 GLU 187 HB2 -0.01 -0.06 0.12 -0.04 2.09 2.11 3hu3A1 GLU 187 HB3 -0.01 0.01 0.09 -0.04 1.99 2.03 3hu3A1 GLU 187 HG2 -0.01 -0.04 0.01 -0.04 2.34 2.25 3hu3A1 GLU 187 HG3 -0.02 0.16 -0.05 -0.04 2.34 2.40 3hu3A1 PRO 188 HA -0.02 0.14 0.38 -0.51 4.44 4.43 3hu3A1 PRO 188 HB2 -0.05 -0.12 -0.06 -0.04 2.28 2.02 3hu3A1 PRO 188 HB3 -0.07 0.05 -0.16 -0.04 2.02 1.80 3hu3A1 PRO 188 HG2 -0.03 -0.02 0.04 -0.04 2.03 1.98 3hu3A1 PRO 188 HG3 -0.03 0.09 0.06 -0.04 2.03 2.11 3hu3A1 PRO 188 HD2 -0.02 0.02 0.20 -0.04 3.68 3.84 3hu3A1 PRO 188 HD3 -0.00 0.22 0.30 -0.04 3.65 4.13 3hu3A1 ILE 189 H -0.04 0.49 0.19 -0.55 8.25 8.34 3hu3A1 ILE 189 HA -0.03 0.07 0.61 -0.75 4.18 4.08 3hu3A1 ILE 189 HB -0.05 0.02 0.04 -0.04 1.89 1.86 3hu3A1 ILE 189 HG12 -0.02 0.01 -0.00 -0.04 1.49 1.43 3hu3A1 ILE 189 HG13 -0.02 0.04 -0.01 -0.04 1.21 1.18 3hu3A1 ILE 189 HG23 -0.03 0.01 -0.13 -0.04 0.93 0.74 3hu3A1 ILE 189 HD13 -0.01 0.03 -0.05 -0.04 0.88 0.82 3hu3A1 LYS 190 H -0.03 0.20 0.18 -0.55 8.42 8.21 3hu3A1 LYS 190 HA -0.04 0.02 0.65 -0.75 4.32 4.19 3hu3A1 LYS 190 HB2 -0.03 -0.02 0.16 -0.04 1.87 1.94 3hu3A1 LYS 190 HB3 -0.03 -0.09 0.09 -0.04 1.79 1.72 3hu3A1 LYS 190 HG2 -0.03 0.03 0.05 -0.04 1.46 1.47 3hu3A1 LYS 190 HG3 -0.03 0.11 0.11 -0.04 1.46 1.61 3hu3A1 LYS 190 HD2 -0.02 0.03 0.04 -0.04 1.69 1.69 3hu3A1 LYS 190 HD3 -0.02 -0.05 0.03 -0.04 1.68 1.60 3hu3A1 LYS 190 HE2 -0.02 0.02 0.01 -0.04 2.99 2.96 3hu3A1 LYS 190 HE3 -0.02 -0.01 0.02 -0.04 2.99 2.94 3hu3A1 ARG 191 H -0.05 0.13 0.23 -0.55 8.46 8.21 3hu3A1 ARG 191 HA -0.05 0.15 0.48 -0.75 4.34 4.17 3hu3A1 ARG 191 HB2 -0.06 -0.03 0.14 -0.04 1.90 1.91 3hu3A1 ARG 191 HB3 -0.04 -0.03 0.16 -0.04 1.80 1.85 3hu3A1 ARG 191 HG2 -0.04 0.06 -0.03 -0.04 1.67 1.62 3hu3A1 ARG 191 HG3 -0.04 0.01 -0.28 -0.04 1.67 1.32 3hu3A1 ARG 191 HD2 -0.04 0.08 -0.03 -0.04 3.22 3.19 3hu3A1 ARG 191 HD3 -0.05 -0.02 0.05 -0.04 3.22 3.15 3hu3A1 GLU 192 H -0.03 0.08 -0.10 -0.55 8.60 7.99 3hu3A1 GLU 192 HA -0.03 0.11 0.37 -0.75 4.29 3.99 3hu3A1 GLU 192 HB2 -0.03 -0.04 0.03 -0.04 2.09 2.01 3hu3A1 GLU 192 HB3 -0.02 0.09 -0.01 -0.04 1.99 2.00 3hu3A1 GLU 192 HG2 -0.03 0.04 0.03 -0.04 2.34 2.35 3hu3A1 GLU 192 HG3 -0.03 -0.07 0.06 -0.04 2.34 2.26 3hu3A1 ASP 193 H -0.03 0.07 -0.37 -0.55 8.40 7.52 3hu3A1 ASP 193 HA -0.03 0.09 0.47 -0.75 4.63 4.41 3hu3A1 ASP 193 HB2 -0.03 0.14 0.13 -0.04 2.71 2.90 3hu3A1 ASP 193 HB3 -0.03 0.08 -0.00 -0.04 2.70 2.71 3hu3A1 GLU 194 H -0.03 0.26 -0.19 -0.55 8.60 8.09 3hu3A1 GLU 194 HA -0.03 0.14 0.57 -0.75 4.29 4.23 3hu3A1 GLU 194 HB2 -0.04 -0.00 0.12 -0.04 2.09 2.13 3hu3A1 GLU 194 HB3 -0.03 0.05 0.00 -0.04 1.99 1.97 3hu3A1 GLU 194 HG2 -0.03 -0.02 -0.06 -0.04 2.34 2.18 3hu3A1 GLU 194 HG3 -0.04 -0.02 -0.07 -0.04 2.34 2.18 3hu3A1 GLU 195 H -0.03 0.59 0.01 -0.55 8.60 8.62 3hu3A1 GLU 195 HA -0.03 0.07 0.47 -0.75 4.29 4.05 3hu3A1 GLU 195 HB2 -0.03 -0.00 0.11 -0.04 2.09 2.12 3hu3A1 GLU 195 HB3 -0.03 0.02 -0.04 -0.04 1.99 1.90 3hu3A1 GLU 195 HG2 -0.03 0.04 0.01 -0.04 2.34 2.32 3hu3A1 GLU 195 HG3 -0.03 -0.08 -0.08 -0.04 2.34 2.11 3hu3A1 GLU 196 H -0.03 0.44 -0.20 -0.55 8.60 8.27 3hu3A1 GLU 196 HA -0.03 0.02 0.39 -0.75 4.29 3.91 3hu3A1 GLU 196 HB2 -0.03 -0.02 0.09 -0.04 2.09 2.10 3hu3A1 GLU 196 HB3 -0.03 0.13 0.09 -0.04 1.99 2.14 3hu3A1 GLU 196 HG2 -0.04 0.06 -0.26 -0.04 2.34 2.06 3hu3A1 GLU 196 HG3 -0.03 -0.04 -0.03 -0.04 2.34 2.19 3hu3A1 SER 197 H -0.03 0.27 -0.30 -0.55 8.46 7.85 3hu3A1 SER 197 HA -0.04 0.02 0.44 -0.75 4.49 4.16 3hu3A1 SER 197 HB2 -0.03 -0.04 0.12 -0.04 3.95 3.96 3hu3A1 SER 197 HB3 -0.02 -0.01 0.26 -0.04 3.93 4.11 3hu3A1 LEU 198 H -0.03 0.71 0.02 -0.55 8.37 8.53 3hu3A1 LEU 198 HA -0.02 0.06 0.36 -0.75 4.35 3.99 3hu3A1 LEU 198 HB2 -0.02 0.11 0.17 -0.04 1.64 1.86 3hu3A1 LEU 198 HB3 -0.02 0.02 0.05 -0.04 1.64 1.64 3hu3A1 LEU 198 HG -0.02 0.06 0.05 -0.04 1.64 1.69 3hu3A1 LEU 198 HD13 -0.01 -0.02 -0.00 -0.04 0.93 0.85 3hu3A1 LEU 198 HD23 -0.02 -0.04 -0.05 -0.04 0.89 0.74 3hu3A1 ASN 199 H -0.03 0.42 -0.40 -0.55 8.53 7.96 3hu3A1 ASN 199 HA -0.04 0.13 0.67 -0.75 4.76 4.77 3hu3A1 ASN 199 HB2 -0.04 0.03 0.05 -0.04 2.88 2.88 3hu3A1 ASN 199 HB3 -0.04 -0.11 0.11 -0.04 2.79 2.71 3hu3A1 ASN 199 HD21 -0.02 -0.10 -0.05 -0.04 7.03 6.81 3hu3A1 ASN 199 HD22 -0.03 0.06 -0.06 -0.04 7.74 7.67 3hu3A1 GLU 200 H -0.05 0.62 -0.39 -0.55 8.60 8.23 3hu3A1 GLU 200 HA -0.07 -0.11 0.53 -0.75 4.29 3.89 3hu3A1 GLU 200 HB2 -0.07 0.15 0.09 -0.04 2.09 2.23 3hu3A1 GLU 200 HB3 -0.09 -0.04 0.00 -0.04 1.99 1.82 3hu3A1 GLU 200 HG2 -0.05 0.14 0.24 -0.04 2.34 2.62 3hu3A1 GLU 200 HG3 -0.06 -0.03 0.08 -0.04 2.34 2.29 3hu3A1 VAL 201 H -0.10 0.01 0.11 -0.55 8.24 7.71 3hu3A1 VAL 201 HA -0.08 0.04 0.28 -0.75 4.13 3.61 3hu3A1 VAL 201 HB -0.12 -0.05 -0.03 -0.04 2.12 1.88 3hu3A1 VAL 201 HG13 -0.07 -0.02 -0.12 -0.04 0.97 0.71 3hu3A1 VAL 201 HG23 -0.07 -0.01 0.03 -0.04 0.95 0.86 3hu3A1 GLY 202 H -0.08 0.06 0.16 -0.55 8.43 8.02 3hu3A1 GLY 202 HA2 -0.24 0.32 0.66 -0.51 4.01 4.23 3hu3A1 GLY 202 HA3 -0.11 0.05 0.38 -0.51 4.01 3.82 3hu3A1 TYR 203 H -0.14 0.26 0.15 -0.55 8.29 8.00 3hu3A1 TYR 203 HA -0.02 0.08 0.41 -0.75 4.56 4.28 3hu3A1 TYR 203 HB2 -0.01 0.04 0.11 -0.04 3.06 3.16 3hu3A1 TYR 203 HB3 -0.00 0.00 0.06 -0.04 2.98 3.00 3hu3A1 TYR 203 HD2 -0.00 -0.01 -0.02 -0.04 7.15 7.07 3hu3A1 TYR 203 HE2 0.01 0.03 -0.09 -0.04 6.85 6.75 3hu3A1 ASP 204 H 0.05 0.10 -0.16 -0.55 8.40 7.85 3hu3A1 ASP 204 HA 0.05 0.11 0.51 -0.75 4.63 4.54 3hu3A1 ASP 204 HB2 0.00 0.04 -0.01 -0.04 2.71 2.71 3hu3A1 ASP 204 HB3 0.01 0.03 0.02 -0.04 2.70 2.72 3hu3A1 ASP 205 H -0.00 0.26 -0.44 -0.55 8.40 7.68 3hu3A1 ASP 205 HA -0.03 0.17 0.75 -0.75 4.63 4.77 3hu3A1 ASP 205 HB2 -0.04 0.07 0.06 -0.04 2.71 2.76 3hu3A1 ASP 205 HB3 -0.07 -0.04 0.13 -0.04 2.70 2.69 3hu3A1 ILE 206 H 0.05 0.41 -0.55 -0.55 8.25 7.61 3hu3A1 ILE 206 HA 0.05 0.10 0.93 -0.75 4.18 4.51 3hu3A1 ILE 206 HB 0.08 0.07 0.10 -0.04 1.89 2.10 3hu3A1 ILE 206 HG12 0.04 0.01 -0.42 -0.04 1.49 1.09 3hu3A1 ILE 206 HG13 0.11 0.11 -0.06 -0.04 1.21 1.32 3hu3A1 ILE 206 HG23 0.05 -0.04 -0.13 -0.04 0.93 0.77 3hu3A1 ILE 206 HD13 0.10 -0.00 -0.17 -0.04 0.88 0.77 3hu3A1 GLY 207 H 0.05 0.18 0.07 -0.55 8.43 8.19 3hu3A1 GLY 207 HA2 0.03 0.14 0.73 -0.51 4.01 4.39 3hu3A1 GLY 207 HA3 0.04 0.04 0.13 -0.51 4.01 3.71 3hu3A1 GLY 208 H 0.01 0.16 0.20 -0.55 8.43 8.26 3hu3A1 GLY 208 HA2 0.01 -0.06 0.40 -0.51 4.01 3.85 3hu3A1 GLY 208 HA3 0.01 0.10 0.30 -0.51 4.01 3.91 3hu3A1 CYS 209 H 0.01 0.16 -0.29 -0.55 8.50 7.83 3hu3A1 CYS 209 HA -0.01 0.24 0.94 -0.75 4.58 5.00 3hu3A1 CYS 209 HB2 0.01 0.08 -0.16 -0.04 2.97 2.86 3hu3A1 CYS 209 HB3 -0.00 -0.09 0.10 -0.04 2.97 2.94 3hu3A1 ARG 210 H -0.01 0.11 -0.07 -0.55 8.46 7.94 3hu3A1 ARG 210 HA -0.02 0.14 0.27 -0.75 4.34 3.97 3hu3A1 ARG 210 HB2 -0.01 -0.01 0.12 -0.04 1.90 1.96 3hu3A1 ARG 210 HB3 -0.01 -0.04 0.11 -0.04 1.80 1.82 3hu3A1 ARG 210 HG2 -0.01 0.05 -0.16 -0.04 1.67 1.51 3hu3A1 ARG 210 HG3 -0.02 0.06 0.04 -0.04 1.67 1.71 3hu3A1 ARG 210 HD2 -0.00 -0.00 0.01 -0.04 3.22 3.18 3hu3A1 ARG 210 HD3 -0.00 -0.03 -0.01 -0.04 3.22 3.13 3hu3A1 LYS 211 H -0.01 0.08 -0.12 -0.55 8.42 7.81 3hu3A1 LYS 211 HA -0.01 0.13 0.38 -0.75 4.32 4.06 3hu3A1 LYS 211 HB2 -0.01 -0.03 0.05 -0.04 1.87 1.84 3hu3A1 LYS 211 HB3 -0.01 0.07 -0.01 -0.04 1.79 1.80 3hu3A1 LYS 211 HG2 -0.00 0.04 0.03 -0.04 1.46 1.49 3hu3A1 LYS 211 HG3 -0.00 -0.05 0.04 -0.04 1.46 1.40 3hu3A1 LYS 211 HD2 0.00 0.03 0.01 -0.04 1.69 1.69 3hu3A1 LYS 211 HD3 0.00 0.03 0.01 -0.04 1.68 1.69 3hu3A1 LYS 211 HE2 0.00 0.03 0.01 -0.04 2.99 2.99 3hu3A1 LYS 211 HE3 0.00 0.01 0.01 -0.04 2.99 2.97 3hu3A1 GLN 212 H -0.02 0.15 -0.33 -0.55 8.47 7.72 3hu3A1 GLN 212 HA -0.01 0.09 0.59 -0.75 4.36 4.27 3hu3A1 GLN 212 HB2 -0.01 0.07 0.06 -0.04 2.15 2.23 3hu3A1 GLN 212 HB3 -0.02 -0.01 -0.04 -0.04 2.02 1.91 3hu3A1 GLN 212 HG2 -0.05 0.14 -0.10 -0.04 2.40 2.35 3hu3A1 GLN 212 HG3 -0.03 -0.04 -0.04 -0.04 2.39 2.24 3hu3A1 GLN 212 HE21 -0.03 0.01 0.09 -0.04 6.97 7.00 3hu3A1 GLN 212 HE22 -0.05 0.38 0.24 -0.04 7.69 8.21 3hu3A1 LEU 213 H -0.04 0.58 0.00 -0.55 8.37 8.37 3hu3A1 LEU 213 HA -0.08 0.03 0.46 -0.75 4.35 4.00 3hu3A1 LEU 213 HB2 -0.11 0.10 0.09 -0.04 1.64 1.68 3hu3A1 LEU 213 HB3 -0.31 0.01 0.04 -0.04 1.64 1.33 3hu3A1 LEU 213 HG -0.03 0.02 -0.04 -0.04 1.64 1.55 3hu3A1 LEU 213 HD13 -0.04 -0.01 -0.05 -0.04 0.93 0.79 3hu3A1 LEU 213 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.79 3hu3A1 ALA 214 H -0.05 0.36 -0.27 -0.55 8.40 7.89 3hu3A1 ALA 214 HA -0.05 0.10 0.52 -0.75 4.34 4.16 3hu3A1 ALA 214 HB3 -0.02 0.05 0.08 -0.04 1.41 1.48 3hu3A1 GLN 215 H -0.01 0.39 -0.05 -0.55 8.47 8.26 3hu3A1 GLN 215 HA 0.02 0.06 0.50 -0.75 4.36 4.18 3hu3A1 GLN 215 HB2 0.00 0.05 0.22 -0.04 2.15 2.37 3hu3A1 GLN 215 HB3 0.02 -0.02 -0.03 -0.04 2.02 1.94 3hu3A1 GLN 215 HG2 0.02 0.00 0.07 -0.04 2.40 2.46 3hu3A1 GLN 215 HG3 0.01 0.08 0.11 -0.04 2.39 2.54 3hu3A1 GLN 215 HE21 0.02 -0.03 0.12 -0.04 6.97 7.03 3hu3A1 GLN 215 HE22 0.03 0.03 0.06 -0.04 7.69 7.77 3hu3A1 ILE 216 H -0.01 0.45 -0.38 -0.55 8.25 7.77 3hu3A1 ILE 216 HA 0.04 0.04 0.32 -0.75 4.18 3.83 3hu3A1 ILE 216 HB -0.01 0.09 0.14 -0.04 1.89 2.07 3hu3A1 ILE 216 HG12 0.08 -0.03 -0.07 -0.04 1.49 1.42 3hu3A1 ILE 216 HG13 0.03 0.04 -0.04 -0.04 1.21 1.20 3hu3A1 ILE 216 HG23 0.11 -0.01 -0.16 -0.04 0.93 0.83 3hu3A1 ILE 216 HD13 0.09 -0.03 -0.12 -0.04 0.88 0.78 3hu3A1 LYS 217 H -0.03 0.56 -0.06 -0.55 8.42 8.33 3hu3A1 LYS 217 HA 0.04 -0.07 0.53 -0.75 4.32 4.06 3hu3A1 LYS 217 HB2 -0.02 0.11 0.18 -0.04 1.87 2.10 3hu3A1 LYS 217 HB3 0.01 -0.02 0.06 -0.04 1.79 1.80 3hu3A1 LYS 217 HG2 -0.08 -0.08 0.04 -0.04 1.46 1.30 3hu3A1 LYS 217 HG3 -0.19 0.24 0.09 -0.04 1.46 1.55 3hu3A1 LYS 217 HD2 -0.08 0.05 -0.03 -0.04 1.69 1.58 3hu3A1 LYS 217 HD3 -0.00 -0.00 -0.01 -0.04 1.68 1.62 3hu3A1 LYS 217 HE2 -0.10 -0.02 -0.03 -0.04 2.99 2.81 3hu3A1 LYS 217 HE3 -0.43 -0.05 -0.04 -0.04 2.99 2.43 3hu3A1 GLU 218 H 0.03 0.49 -0.30 -0.55 8.60 8.27 3hu3A1 GLU 218 HA 0.10 0.04 0.41 -0.75 4.29 4.09 3hu3A1 GLU 218 HB2 0.08 -0.04 0.08 -0.04 2.09 2.17 3hu3A1 GLU 218 HB3 0.04 0.08 0.10 -0.04 1.99 2.17 3hu3A1 GLU 218 HG2 0.04 0.16 0.17 -0.04 2.34 2.67 3hu3A1 GLU 218 HG3 0.07 -0.00 -0.20 -0.04 2.34 2.16 3hu3A1 MET 219 H 0.04 0.29 -0.23 -0.55 8.47 8.03 3hu3A1 MET 219 HA 0.03 0.16 0.63 -0.75 4.52 4.59 3hu3A1 MET 219 HB2 0.03 -0.01 -0.03 -0.04 2.15 2.09 3hu3A1 MET 219 HB3 0.01 -0.02 -0.00 -0.04 2.03 1.98 3hu3A1 MET 219 HG2 0.04 -0.02 -0.07 -0.04 2.63 2.54 3hu3A1 MET 219 HG3 0.04 0.23 0.06 -0.04 2.56 2.85 3hu3A1 MET 219 HE3 0.03 -0.00 -0.02 -0.04 2.10 2.07 3hu3A1 VAL 220 H 0.04 0.18 -0.22 -0.55 8.24 7.69 3hu3A1 VAL 220 HA 0.00 0.28 0.98 -0.75 4.13 4.64 3hu3A1 VAL 220 HB 0.08 0.07 0.13 -0.04 2.12 2.36 3hu3A1 VAL 220 HG13 0.09 -0.01 -0.17 -0.04 0.97 0.84 3hu3A1 VAL 220 HG23 0.06 -0.03 -0.19 -0.04 0.95 0.74 3hu3A1 GLU 221 H 0.06 0.19 0.20 -0.55 8.60 8.50 3hu3A1 GLU 221 HA 0.06 0.06 0.25 -0.75 4.29 3.90 3hu3A1 GLU 221 HB2 0.10 -0.05 0.12 -0.04 2.09 2.23 3hu3A1 GLU 221 HB3 0.07 0.09 0.20 -0.04 1.99 2.31 3hu3A1 GLU 221 HG2 0.09 0.01 -0.00 -0.04 2.34 2.39 3hu3A1 GLU 221 HG3 0.06 0.01 -0.03 -0.04 2.34 2.34 3hu3A1 LEU 222 H 0.08 0.52 -0.05 -0.55 8.37 8.37 3hu3A1 LEU 222 HA 0.15 -0.03 0.31 -0.75 4.35 4.03 3hu3A1 LEU 222 HB2 0.15 -0.03 0.06 -0.04 1.64 1.78 3hu3A1 LEU 222 HB3 0.21 0.20 0.11 -0.04 1.64 2.12 3hu3A1 LEU 222 HG 0.55 0.03 -0.20 -0.04 1.64 1.98 3hu3A1 LEU 222 HD13 0.27 -0.04 0.04 -0.04 0.93 1.16 3hu3A1 LEU 222 HD23 0.16 0.00 -0.01 -0.04 0.89 1.01 3hu3A1 PRO 223 HA -0.33 0.05 0.33 -0.51 4.44 3.97 3hu3A1 PRO 223 HB2 -0.38 0.05 -0.09 -0.04 2.28 1.83 3hu3A1 PRO 223 HB3 -1.18 -0.03 0.03 -0.04 2.02 0.80 3hu3A1 PRO 223 HG2 -0.14 0.20 -0.22 -0.04 2.03 1.83 3hu3A1 PRO 223 HG3 -0.23 0.12 -0.17 -0.04 2.03 1.71 3hu3A1 PRO 223 HD2 -0.01 -0.15 -0.83 -0.04 3.68 2.65 3hu3A1 PRO 223 HD3 0.00 0.30 -0.16 -0.04 3.65 3.75 3hu3A1 LEU 224 H -0.01 0.30 -0.53 -0.55 8.37 7.58 3hu3A1 LEU 224 HA 0.05 0.09 0.51 -0.75 4.35 4.25 3hu3A1 LEU 224 HB2 0.03 0.06 0.04 -0.04 1.64 1.73 3hu3A1 LEU 224 HB3 0.04 -0.04 -0.08 -0.04 1.64 1.52 3hu3A1 LEU 224 HG -0.00 0.12 -0.09 -0.04 1.64 1.63 3hu3A1 LEU 224 HD13 0.06 -0.03 -0.20 -0.04 0.93 0.71 3hu3A1 LEU 224 HD23 0.05 -0.01 -0.16 -0.04 0.89 0.72 3hu3A1 ARG 225 H -0.00 0.32 -0.11 -0.55 8.46 8.11 3hu3A1 ARG 225 HA -0.11 0.10 0.60 -0.75 4.34 4.17 3hu3A1 ARG 225 HB2 -0.06 0.12 0.13 -0.04 1.90 2.05 3hu3A1 ARG 225 HB3 -0.23 -0.04 0.12 -0.04 1.80 1.61 3hu3A1 ARG 225 HG2 -0.56 -0.05 -0.05 -0.04 1.67 0.96 3hu3A1 ARG 225 HG3 -0.17 0.03 0.06 -0.04 1.67 1.54 3hu3A1 ARG 225 HD2 -0.02 -0.03 -0.00 -0.04 3.22 3.14 3hu3A1 ARG 225 HD3 -0.01 -0.04 -0.04 -0.04 3.22 3.10 3hu3A1 HIS 226 H 0.09 0.65 0.03 -0.55 8.41 8.63 3hu3A1 HIS 226 HA 0.09 0.20 1.01 -0.75 4.63 5.18 3hu3A1 HIS 226 HB2 0.16 0.07 0.20 -0.04 3.26 3.66 3hu3A1 HIS 226 HB3 0.10 -0.18 0.16 -0.04 3.20 3.23 3hu3A1 HIS 226 HD2 0.08 0.00 -0.01 -0.04 6.97 7.00 3hu3A1 HIS 226 HE1 0.04 0.00 -0.03 -0.04 7.75 7.71 3hu3A1 PRO 227 HA 0.20 0.12 0.57 -0.51 4.44 4.82 3hu3A1 PRO 227 HB2 0.23 -0.06 0.01 -0.04 2.28 2.41 3hu3A1 PRO 227 HB3 0.21 0.21 0.14 -0.04 2.02 2.54 3hu3A1 PRO 227 HG2 0.12 -0.09 0.04 -0.04 2.03 2.05 3hu3A1 PRO 227 HG3 0.10 0.14 0.02 -0.04 2.03 2.25 3hu3A1 PRO 227 HD2 0.09 0.18 -0.01 -0.04 3.68 3.90 3hu3A1 PRO 227 HD3 0.07 0.28 -0.62 -0.04 3.65 3.34 3hu3A1 ALA 228 H 0.17 0.20 -0.23 -0.55 8.40 7.99 3hu3A1 ALA 228 HA 0.11 0.06 0.38 -0.75 4.34 4.13 3hu3A1 ALA 228 HB3 0.09 0.02 0.05 -0.04 1.41 1.54 3hu3A1 LEU 229 H 0.18 0.26 -0.28 -0.55 8.37 7.98 3hu3A1 LEU 229 HA -0.02 -0.01 0.36 -0.75 4.35 3.92 3hu3A1 LEU 229 HB2 0.03 -0.05 0.11 -0.04 1.64 1.70 3hu3A1 LEU 229 HB3 0.09 0.24 0.10 -0.04 1.64 2.03 3hu3A1 LEU 229 HG -0.49 0.01 -0.16 -0.04 1.64 0.96 3hu3A1 LEU 229 HD13 -0.13 -0.02 0.03 -0.04 0.93 0.77 3hu3A1 LEU 229 HD23 -0.06 0.00 -0.01 -0.04 0.89 0.78 3hu3A1 PHE 230 H 0.44 0.29 -0.26 -0.55 8.34 8.25 3hu3A1 PHE 230 HA 0.02 0.01 0.57 -0.75 4.62 4.47 3hu3A1 PHE 230 HB2 0.03 0.11 0.21 -0.04 3.15 3.46 3hu3A1 PHE 230 HB3 0.02 0.27 0.15 -0.04 3.06 3.46 3hu3A1 PHE 230 HD2 0.04 0.07 0.01 -0.04 7.28 7.36 3hu3A1 PHE 230 HE2 0.04 0.00 -0.17 -0.04 7.38 7.22 3hu3A1 PHE 230 HZ 0.04 0.06 -0.06 -0.04 7.32 7.31 3hu3A1 LYS 231 H 0.18 0.53 0.02 -0.55 8.42 8.59 3hu3A1 LYS 231 HA 0.08 0.02 0.45 -0.75 4.32 4.12 3hu3A1 LYS 231 HB2 0.09 0.04 0.22 -0.04 1.87 2.18 3hu3A1 LYS 231 HB3 0.06 -0.05 -0.01 -0.04 1.79 1.75 3hu3A1 LYS 231 HG2 0.07 -0.04 0.02 -0.04 1.46 1.47 3hu3A1 LYS 231 HG3 0.11 0.14 0.02 -0.04 1.46 1.68 3hu3A1 LYS 231 HD2 0.09 -0.05 -0.09 -0.04 1.69 1.61 3hu3A1 LYS 231 HD3 0.07 -0.04 -0.02 -0.04 1.68 1.64 3hu3A1 LYS 231 HE2 0.07 -0.02 -0.02 -0.04 2.99 2.97 3hu3A1 LYS 231 HE3 0.12 0.05 -0.05 -0.04 2.99 3.08 3hu3A1 ALA 232 H 0.05 0.73 -0.07 -0.55 8.40 8.56 3hu3A1 ALA 232 HA 0.02 -0.03 0.28 -0.75 4.34 3.85 3hu3A1 ALA 232 HB3 -0.00 0.02 0.07 -0.04 1.41 1.45 3hu3A1 ILE 233 H -0.01 0.32 -0.25 -0.55 8.25 7.76 3hu3A1 ILE 233 HA -0.01 0.08 0.65 -0.75 4.18 4.15 3hu3A1 ILE 233 HB -0.06 -0.00 0.08 -0.04 1.89 1.86 3hu3A1 ILE 233 HG12 -0.01 0.00 0.10 -0.04 1.49 1.54 3hu3A1 ILE 233 HG13 -0.02 -0.02 0.10 -0.04 1.21 1.22 3hu3A1 ILE 233 HG23 -0.06 0.02 -0.09 -0.04 0.93 0.76 3hu3A1 ILE 233 HD13 -0.04 -0.02 0.01 -0.04 0.88 0.78 3hu3A1 GLY 234 H 0.03 0.30 -0.33 -0.55 8.43 7.89 3hu3A1 GLY 234 HA2 0.04 0.06 0.28 -0.51 4.01 3.88 3hu3A1 GLY 234 HA3 0.03 -0.00 0.41 -0.51 4.01 3.94 3hu3A1 VAL 235 H 0.08 0.65 0.15 -0.55 8.24 8.57 3hu3A1 VAL 235 HA 0.07 0.12 0.96 -0.75 4.13 4.52 3hu3A1 VAL 235 HB 0.06 0.01 -0.24 -0.04 2.12 1.91 3hu3A1 VAL 235 HG13 0.16 -0.00 -0.07 -0.04 0.97 1.01 3hu3A1 VAL 235 HG23 0.09 0.02 -0.11 -0.04 0.95 0.91 3hu3A1 LYS 236 H 0.06 0.12 0.11 -0.55 8.42 8.15 3hu3A1 LYS 236 HA 0.02 0.16 0.70 -0.75 4.32 4.45 3hu3A1 LYS 236 HB2 0.03 -0.09 0.15 -0.04 1.87 1.92 3hu3A1 LYS 236 HB3 -0.03 0.12 -0.02 -0.04 1.79 1.82 3hu3A1 LYS 236 HG2 -0.01 0.07 0.02 -0.04 1.46 1.51 3hu3A1 LYS 236 HG3 0.03 -0.05 -0.05 -0.04 1.46 1.35 3hu3A1 LYS 236 HD2 0.01 0.03 0.02 -0.04 1.69 1.71 3hu3A1 LYS 236 HD3 0.01 -0.03 0.01 -0.04 1.68 1.63 3hu3A1 LYS 236 HE2 0.04 -0.00 -0.01 -0.04 2.99 2.98 3hu3A1 LYS 236 HE3 0.07 -0.02 0.03 -0.04 2.99 3.03 3hu3A1 PRO 237 HA 0.00 0.06 0.52 -0.51 4.44 4.51 3hu3A1 PRO 237 HB2 -0.26 0.19 0.01 -0.04 2.28 2.18 3hu3A1 PRO 237 HB3 -0.52 -0.04 0.08 -0.04 2.02 1.50 3hu3A1 PRO 237 HG2 -0.23 0.06 0.04 -0.04 2.03 1.85 3hu3A1 PRO 237 HG3 -0.52 0.02 0.07 -0.04 2.03 1.56 3hu3A1 PRO 237 HD2 -0.10 0.05 0.24 -0.04 3.68 3.83 3hu3A1 PRO 237 HD3 -0.06 0.20 0.24 -0.04 3.65 3.99 3hu3A1 PRO 238 HA -0.17 -0.01 0.50 -0.51 4.44 4.26 3hu3A1 PRO 238 HB2 -0.06 0.03 -0.02 -0.04 2.28 2.18 3hu3A1 PRO 238 HB3 -0.11 -0.06 0.07 -0.04 2.02 1.88 3hu3A1 PRO 238 HG2 -0.02 -0.00 0.07 -0.04 2.03 2.04 3hu3A1 PRO 238 HG3 -0.06 0.02 0.10 -0.04 2.03 2.05 3hu3A1 PRO 238 HD2 -0.02 0.11 0.21 -0.04 3.68 3.95 3hu3A1 PRO 238 HD3 0.00 0.15 0.24 -0.04 3.65 4.00 3hu3A1 ARG 239 H -0.16 0.05 0.20 -0.55 8.46 8.00 3hu3A1 ARG 239 HA -0.11 0.24 0.84 -0.75 4.34 4.55 3hu3A1 ARG 239 HB2 -0.11 0.11 0.27 -0.04 1.90 2.12 3hu3A1 ARG 239 HB3 -0.12 0.07 0.08 -0.04 1.80 1.77 3hu3A1 ARG 239 HG2 -0.18 -0.05 -0.04 -0.04 1.67 1.35 3hu3A1 ARG 239 HG3 -0.15 -0.02 -0.01 -0.04 1.67 1.45 3hu3A1 ARG 239 HD2 -0.12 -0.02 0.08 -0.04 3.22 3.12 3hu3A1 ARG 239 HD3 -0.14 -0.07 0.11 -0.04 3.22 3.08 3hu3A1 GLY 240 H -0.13 0.03 0.03 -0.55 8.43 7.82 3hu3A1 GLY 240 HA2 -0.19 0.35 1.03 -0.51 4.01 4.69 3hu3A1 GLY 240 HA3 -0.39 0.15 0.29 -0.51 4.01 3.55 3hu3A1 ILE 241 H 0.13 0.69 0.29 -0.55 8.25 8.80 3hu3A1 ILE 241 HA 0.10 0.17 0.86 -0.75 4.18 4.55 3hu3A1 ILE 241 HB 0.04 0.00 0.06 -0.04 1.89 1.95 3hu3A1 ILE 241 HG12 0.03 -0.02 -0.21 -0.04 1.49 1.24 3hu3A1 ILE 241 HG13 0.02 0.01 -0.30 -0.04 1.21 0.90 3hu3A1 ILE 241 HG23 0.04 -0.04 -0.32 -0.04 0.93 0.57 3hu3A1 ILE 241 HD13 -0.01 0.03 -0.36 -0.04 0.88 0.51 3hu3A1 LEU 242 H 0.11 0.71 0.22 -0.55 8.37 8.86 3hu3A1 LEU 242 HA -0.10 0.10 0.85 -0.75 4.35 4.45 3hu3A1 LEU 242 HB2 -0.06 0.05 -0.04 -0.04 1.64 1.54 3hu3A1 LEU 242 HB3 0.06 0.05 0.16 -0.04 1.64 1.87 3hu3A1 LEU 242 HG 0.04 -0.05 -0.40 -0.04 1.64 1.20 3hu3A1 LEU 242 HD13 -0.27 -0.02 -0.21 -0.04 0.93 0.38 3hu3A1 LEU 242 HD23 -0.08 -0.00 -0.11 -0.04 0.89 0.66 3hu3A1 LEU 243 H -0.06 0.76 0.38 -0.55 8.37 8.90 3hu3A1 LEU 243 HA 0.01 0.26 1.08 -0.75 4.35 4.94 3hu3A1 LEU 243 HB2 0.07 -0.20 0.22 -0.04 1.64 1.70 3hu3A1 LEU 243 HB3 0.03 0.02 0.13 -0.04 1.64 1.77 3hu3A1 LEU 243 HG 0.03 0.14 0.10 -0.04 1.64 1.87 3hu3A1 LEU 243 HD13 0.21 -0.02 -0.02 -0.04 0.93 1.06 3hu3A1 LEU 243 HD23 0.05 -0.01 -0.18 -0.04 0.89 0.71 3hu3A1 TYR 244 H -0.23 0.61 0.40 -0.55 8.29 8.52 3hu3A1 TYR 244 HA -0.01 0.31 1.05 -0.75 4.56 5.16 3hu3A1 TYR 244 HB2 -0.01 -0.06 0.05 -0.04 3.06 3.00 3hu3A1 TYR 244 HB3 -0.03 0.00 -0.23 -0.04 2.98 2.69 3hu3A1 TYR 244 HD2 -0.00 0.05 -0.21 -0.04 7.15 6.94 3hu3A1 TYR 244 HE2 0.01 0.01 -0.18 -0.04 6.85 6.64 3hu3A1 GLY 245 H 0.13 0.39 0.39 -0.55 8.43 8.79 3hu3A1 GLY 245 HA2 0.09 -0.02 0.26 -0.51 4.01 3.84 3hu3A1 GLY 245 HA3 -0.05 0.40 0.74 -0.51 4.01 4.59 3hu3A1 PRO 246 HA 0.03 0.12 0.48 -0.51 4.44 4.56 3hu3A1 PRO 246 HB2 0.00 0.10 0.10 -0.04 2.28 2.44 3hu3A1 PRO 246 HB3 0.01 0.02 0.16 -0.04 2.02 2.18 3hu3A1 PRO 246 HG2 -0.01 0.04 -0.01 -0.04 2.03 2.01 3hu3A1 PRO 246 HG3 0.00 0.05 0.08 -0.04 2.03 2.12 3hu3A1 PRO 246 HD2 -0.01 0.21 0.27 -0.04 3.68 4.12 3hu3A1 PRO 246 HD3 0.03 0.09 0.21 -0.04 3.65 3.93 3hu3A1 PRO 247 HA 0.01 -0.09 0.50 -0.51 4.44 4.35 3hu3A1 PRO 247 HB2 -0.01 0.06 0.06 -0.04 2.28 2.35 3hu3A1 PRO 247 HB3 0.00 -0.00 0.10 -0.04 2.02 2.09 3hu3A1 PRO 247 HG2 0.00 0.09 0.12 -0.04 2.03 2.20 3hu3A1 PRO 247 HG3 0.01 0.01 0.14 -0.04 2.03 2.15 3hu3A1 PRO 247 HD2 0.00 0.15 0.26 -0.04 3.68 4.05 3hu3A1 PRO 247 HD3 0.01 0.19 0.29 -0.04 3.65 4.10 3hu3A1 GLY 248 H 0.01 0.06 0.22 -0.55 8.43 8.17 3hu3A1 GLY 248 HA2 0.00 -0.01 0.36 -0.51 4.01 3.86 3hu3A1 GLY 248 HA3 -0.01 0.10 0.37 -0.51 4.01 3.97 3hu3A1 THR 249 H 0.01 0.19 -0.11 -0.55 8.28 7.82 3hu3A1 THR 249 HA -0.00 0.05 0.63 -0.75 4.39 4.31 3hu3A1 THR 249 HB -0.01 0.07 -0.08 -0.04 4.32 4.26 3hu3A1 THR 249 HG23 -0.01 0.02 -0.14 -0.04 1.22 1.05 3hu3A1 GLY 250 H 0.02 -0.13 -0.07 -0.55 8.43 7.70 3hu3A1 GLY 250 HA2 0.03 -0.03 0.21 -0.51 4.01 3.70 3hu3A1 GLY 250 HA3 0.03 0.37 0.79 -0.51 4.01 4.68 3hu3A1 LYS 251 H 0.04 0.00 0.03 -0.55 8.42 7.94 3hu3A1 LYS 251 HA 0.09 0.21 0.41 -0.75 4.32 4.28 3hu3A1 LYS 251 HB2 0.07 -0.13 0.08 -0.04 1.87 1.86 3hu3A1 LYS 251 HB3 0.15 0.05 -0.02 -0.04 1.79 1.93 3hu3A1 LYS 251 HG2 0.04 0.09 -0.11 -0.04 1.46 1.44 3hu3A1 LYS 251 HG3 0.03 -0.04 -0.09 -0.04 1.46 1.32 3hu3A1 LYS 251 HD2 0.06 -0.07 -0.11 -0.04 1.69 1.53 3hu3A1 LYS 251 HD3 0.02 0.05 -0.34 -0.04 1.68 1.37 3hu3A1 LYS 251 HE2 0.05 -0.20 -0.18 -0.04 2.99 2.62 3hu3A1 LYS 251 HE3 0.05 0.24 -0.30 -0.04 2.99 2.94 3hu3A1 THR 252 H 0.04 0.02 -0.04 -0.55 8.28 7.75 3hu3A1 THR 252 HA -0.08 0.13 0.42 -0.75 4.39 4.11 3hu3A1 THR 252 HB -0.00 -0.06 0.05 -0.04 4.32 4.27 3hu3A1 THR 252 HG23 -0.05 0.05 -0.17 -0.04 1.22 1.01 3hu3A1 LEU 253 H -0.00 -0.04 -0.24 -0.55 8.37 7.54 3hu3A1 LEU 253 HA -0.04 0.10 0.44 -0.75 4.35 4.09 3hu3A1 LEU 253 HB2 0.02 -0.08 0.04 -0.04 1.64 1.58 3hu3A1 LEU 253 HB3 0.02 0.07 0.02 -0.04 1.64 1.71 3hu3A1 LEU 253 HG 0.00 0.04 -0.26 -0.04 1.64 1.37 3hu3A1 LEU 253 HD13 -0.01 0.01 -0.01 -0.04 0.93 0.89 3hu3A1 LEU 253 HD23 0.06 0.09 0.01 -0.04 0.89 1.01 3hu3A1 ILE 254 H 0.02 0.49 -0.29 -0.55 8.25 7.92 3hu3A1 ILE 254 HA 0.06 0.04 0.39 -0.75 4.18 3.93 3hu3A1 ILE 254 HB 0.10 0.09 0.14 -0.04 1.89 2.18 3hu3A1 ILE 254 HG12 0.09 -0.02 -0.02 -0.04 1.49 1.50 3hu3A1 ILE 254 HG13 0.06 0.06 0.04 -0.04 1.21 1.33 3hu3A1 ILE 254 HG23 0.17 -0.00 -0.14 -0.04 0.93 0.92 3hu3A1 ILE 254 HD13 0.05 -0.03 -0.11 -0.04 0.88 0.75 3hu3A1 ALA 255 H -0.15 0.33 -0.22 -0.55 8.40 7.82 3hu3A1 ALA 255 HA -0.30 0.04 0.35 -0.75 4.34 3.67 3hu3A1 ALA 255 HB3 -1.07 0.02 0.01 -0.04 1.41 0.33 3hu3A1 ARG 256 H -0.20 0.53 -0.12 -0.55 8.46 8.12 3hu3A1 ARG 256 HA -0.27 0.04 0.53 -0.75 4.34 3.88 3hu3A1 ARG 256 HB2 -0.12 0.11 0.13 -0.04 1.90 1.98 3hu3A1 ARG 256 HB3 -0.15 0.01 0.03 -0.04 1.80 1.65 3hu3A1 ARG 256 HG2 -0.13 0.12 -0.01 -0.04 1.67 1.61 3hu3A1 ARG 256 HG3 -0.09 -0.07 -0.04 -0.04 1.67 1.43 3hu3A1 ARG 256 HD2 -0.12 0.05 0.00 -0.04 3.22 3.12 3hu3A1 ARG 256 HD3 -0.16 0.02 -0.03 -0.04 3.22 3.01 3hu3A1 ALA 257 H -0.14 0.52 -0.24 -0.55 8.40 8.00 3hu3A1 ALA 257 HA -0.26 0.20 0.04 -0.75 4.34 3.56 3hu3A1 ALA 257 HB3 -0.14 -0.01 -0.20 -0.04 1.41 1.02 3hu3A1 VAL 258 H -0.14 0.62 -0.14 -0.55 8.24 8.03 3hu3A1 VAL 258 HA -0.12 -0.01 0.41 -0.75 4.13 3.65 3hu3A1 VAL 258 HB 0.03 0.04 0.11 -0.04 2.12 2.26 3hu3A1 VAL 258 HG13 0.24 0.00 -0.17 -0.04 0.97 1.00 3hu3A1 VAL 258 HG23 0.28 0.03 -0.04 -0.04 0.95 1.18 3hu3A1 ALA 259 H -0.71 0.56 -0.14 -0.55 8.40 7.56 3hu3A1 ALA 259 HA -1.27 -0.01 0.32 -0.75 4.34 2.63 3hu3A1 ALA 259 HB3 -0.98 0.01 0.08 -0.04 1.41 0.49 3hu3A1 ASN 260 H -0.35 0.33 -0.39 -0.55 8.53 7.57 3hu3A1 ASN 260 HA -0.19 0.14 0.59 -0.75 4.76 4.55 3hu3A1 ASN 260 HB2 -0.23 0.16 0.13 -0.04 2.88 2.90 3hu3A1 ASN 260 HB3 -0.16 -0.03 0.08 -0.04 2.79 2.64 3hu3A1 ASN 260 HD21 -0.15 -0.25 0.02 -0.04 7.03 6.61 3hu3A1 ASN 260 HD22 -0.17 0.45 0.02 -0.04 7.74 8.01 3hu3A1 GLU 261 H -0.30 0.29 -0.14 -0.55 8.60 7.90 3hu3A1 GLU 261 HA -0.15 0.10 1.01 -0.75 4.29 4.50 3hu3A1 GLU 261 HB2 -0.52 0.00 0.08 -0.04 2.09 1.61 3hu3A1 GLU 261 HB3 -0.17 -0.10 0.04 -0.04 1.99 1.73 3hu3A1 GLU 261 HG2 -0.46 0.18 0.00 -0.04 2.34 2.02 3hu3A1 GLU 261 HG3 -1.40 -0.17 0.00 -0.04 2.34 0.73 3hu3A1 THR 262 H -0.11 0.60 0.09 -0.55 8.28 8.31 3hu3A1 THR 262 HA 0.05 -0.07 0.31 -0.75 4.39 3.93 3hu3A1 THR 262 HB 0.09 -0.08 0.06 -0.04 4.32 4.35 3hu3A1 THR 262 HG23 0.06 0.11 -0.16 -0.04 1.22 1.20 3hu3A1 GLY 263 H 0.05 0.01 0.16 -0.55 8.43 8.10 3hu3A1 GLY 263 HA2 0.03 0.19 0.71 -0.51 4.01 4.43 3hu3A1 GLY 263 HA3 0.03 -0.05 0.33 -0.51 4.01 3.82 3hu3A1 ALA 264 H 0.08 -0.14 -0.14 -0.55 8.40 7.66 3hu3A1 ALA 264 HA 0.10 0.22 0.61 -0.75 4.34 4.51 3hu3A1 ALA 264 HB3 0.11 -0.02 -0.12 -0.04 1.41 1.34 3hu3A1 PHE 265 H 0.25 0.60 0.34 -0.55 8.34 8.97 3hu3A1 PHE 265 HA 0.08 0.04 0.67 -0.75 4.62 4.66 3hu3A1 PHE 265 HB2 0.05 0.19 0.21 -0.04 3.15 3.55 3hu3A1 PHE 265 HB3 0.05 -0.01 0.13 -0.04 3.06 3.19 3hu3A1 PHE 265 HD2 0.06 -0.01 -0.08 -0.04 7.28 7.21 3hu3A1 PHE 265 HE2 0.17 -0.09 -0.16 -0.04 7.38 7.26 3hu3A1 PHE 265 HZ 0.21 -0.10 -0.07 -0.04 7.32 7.31 3hu3A1 PHE 266 H -0.51 0.23 0.16 -0.55 8.34 7.66 3hu3A1 PHE 266 HA -0.10 0.25 1.00 -0.75 4.62 5.01 3hu3A1 PHE 266 HB2 -0.10 0.14 -0.17 -0.04 3.15 2.98 3hu3A1 PHE 266 HB3 -0.21 0.00 0.10 -0.04 3.06 2.90 3hu3A1 PHE 266 HD2 -0.08 0.01 -0.24 -0.04 7.28 6.93 3hu3A1 PHE 266 HE2 -0.00 -0.09 -0.15 -0.04 7.38 7.09 3hu3A1 PHE 266 HZ -0.20 -0.13 -0.08 -0.04 7.32 6.86 3hu3A1 PHE 267 H -0.43 0.64 0.26 -0.55 8.34 8.27 3hu3A1 PHE 267 HA -0.22 0.14 0.96 -0.75 4.62 4.75 3hu3A1 PHE 267 HB2 -0.05 0.06 -0.10 -0.04 3.15 3.02 3hu3A1 PHE 267 HB3 -0.15 -0.04 0.12 -0.04 3.06 2.95 3hu3A1 PHE 267 HD2 0.10 -0.02 -0.33 -0.04 7.28 6.99 3hu3A1 PHE 267 HE2 0.07 -0.02 -0.03 -0.04 7.38 7.35 3hu3A1 PHE 267 HZ 0.05 -0.06 -0.04 -0.04 7.32 7.23 3hu3A1 LEU 268 H -0.25 0.20 0.11 -0.55 8.37 7.87 3hu3A1 LEU 268 HA 0.01 0.13 0.80 -0.75 4.35 4.54 3hu3A1 LEU 268 HB2 0.23 0.05 0.01 -0.04 1.64 1.88 3hu3A1 LEU 268 HB3 -0.02 0.01 0.11 -0.04 1.64 1.69 3hu3A1 LEU 268 HG 0.08 -0.08 -0.47 -0.04 1.64 1.13 3hu3A1 LEU 268 HD13 0.10 0.02 -0.08 -0.04 0.93 0.93 3hu3A1 LEU 268 HD23 0.00 -0.01 -0.09 -0.04 0.89 0.76 3hu3A1 ILE 269 H 0.15 0.91 0.39 -0.55 8.25 9.16 3hu3A1 ILE 269 HA 0.18 0.14 0.83 -0.75 4.18 4.58 3hu3A1 ILE 269 HB 0.12 -0.00 0.11 -0.04 1.89 2.08 3hu3A1 ILE 269 HG12 0.21 0.04 -0.07 -0.04 1.49 1.63 3hu3A1 ILE 269 HG13 0.21 0.03 -0.34 -0.04 1.21 1.07 3hu3A1 ILE 269 HG23 0.12 -0.02 -0.22 -0.04 0.93 0.77 3hu3A1 ILE 269 HD13 0.04 -0.00 -0.08 -0.04 0.88 0.79 3hu3A1 ASN 270 H 0.10 0.22 0.04 -0.55 8.53 8.34 3hu3A1 ASN 270 HA 0.09 0.09 0.80 -0.75 4.76 4.99 3hu3A1 ASN 270 HB2 0.05 0.09 0.03 -0.04 2.88 3.02 3hu3A1 ASN 270 HB3 0.05 -0.10 0.08 -0.04 2.79 2.79 3hu3A1 ASN 270 HD21 0.03 -0.02 -0.04 -0.04 7.03 6.95 3hu3A1 ASN 270 HD22 0.03 0.07 -0.06 -0.04 7.74 7.73 3hu3A1 GLY 271 H 0.07 0.63 0.23 -0.55 8.43 8.81 3hu3A1 GLY 271 HA2 0.06 0.03 0.28 -0.51 4.01 3.86 3hu3A1 GLY 271 HA3 0.05 0.22 0.44 -0.51 4.01 4.20 3hu3A1 PRO 272 HA 0.03 0.08 0.31 -0.51 4.44 4.35 3hu3A1 PRO 272 HB2 0.03 0.04 -0.04 -0.04 2.28 2.27 3hu3A1 PRO 272 HB3 0.02 0.06 0.06 -0.04 2.02 2.12 3hu3A1 PRO 272 HG2 0.03 0.03 0.03 -0.04 2.03 2.08 3hu3A1 PRO 272 HG3 0.02 0.04 0.07 -0.04 2.03 2.13 3hu3A1 PRO 272 HD2 0.04 0.04 -0.03 -0.04 3.68 3.69 3hu3A1 PRO 272 HD3 0.04 0.12 0.21 -0.04 3.65 3.98 3hu3A1 GLU 273 H 0.04 0.08 -0.59 -0.55 8.60 7.59 3hu3A1 GLU 273 HA 0.03 0.06 0.37 -0.75 4.29 3.99 3hu3A1 GLU 273 HB2 0.03 -0.07 0.03 -0.04 2.09 2.04 3hu3A1 GLU 273 HB3 0.05 0.10 0.09 -0.04 1.99 2.19 3hu3A1 GLU 273 HG2 0.05 0.03 -0.21 -0.04 2.34 2.17 3hu3A1 GLU 273 HG3 0.03 -0.01 0.02 -0.04 2.34 2.33 3hu3A1 ILE 274 H 0.05 0.50 0.03 -0.55 8.25 8.28 3hu3A1 ILE 274 HA 0.05 0.04 0.57 -0.75 4.18 4.08 3hu3A1 ILE 274 HB 0.05 0.10 0.11 -0.04 1.89 2.11 3hu3A1 ILE 274 HG12 0.08 0.04 0.01 -0.04 1.49 1.59 3hu3A1 ILE 274 HG13 0.09 -0.01 -0.07 -0.04 1.21 1.18 3hu3A1 ILE 274 HG23 0.05 -0.00 -0.12 -0.04 0.93 0.81 3hu3A1 ILE 274 HD13 0.09 0.02 -0.06 -0.04 0.88 0.89 3hu3A1 MET 275 H 0.04 0.47 -0.16 -0.55 8.47 8.27 3hu3A1 MET 275 HA 0.03 -0.00 0.38 -0.75 4.52 4.17 3hu3A1 MET 275 HB2 0.03 0.03 0.02 -0.04 2.15 2.18 3hu3A1 MET 275 HB3 0.02 -0.05 0.05 -0.04 2.03 2.02 3hu3A1 MET 275 HG2 0.03 0.08 -0.17 -0.04 2.63 2.53 3hu3A1 MET 275 HG3 0.02 0.15 -0.15 -0.04 2.56 2.55 3hu3A1 MET 275 HE3 0.02 -0.00 0.05 -0.04 2.10 2.13 3hu3A1 SER 276 H 0.03 0.28 -0.50 -0.55 8.46 7.72 3hu3A1 SER 276 HA 0.02 0.05 0.57 -0.75 4.49 4.37 3hu3A1 SER 276 HB2 0.02 -0.09 0.11 -0.04 3.95 3.94 3hu3A1 SER 276 HB3 0.02 0.08 0.08 -0.04 3.93 4.06 3hu3A1 LYS 277 H 0.03 0.32 -0.40 -0.55 8.42 7.81 3hu3A1 LYS 277 HA 0.02 0.06 0.38 -0.75 4.32 4.03 3hu3A1 LYS 277 HB2 0.03 0.10 0.05 -0.04 1.87 2.01 3hu3A1 LYS 277 HB3 0.03 -0.16 0.04 -0.04 1.79 1.66 3hu3A1 LYS 277 HG2 0.03 0.27 0.09 -0.04 1.46 1.81 3hu3A1 LYS 277 HG3 0.04 -0.04 -0.01 -0.04 1.46 1.41 3hu3A1 LYS 277 HD2 0.03 -0.09 0.01 -0.04 1.69 1.60 3hu3A1 LYS 277 HD3 0.03 0.01 -0.11 -0.04 1.68 1.57 3hu3A1 LYS 277 HE2 0.04 0.01 -0.03 -0.04 2.99 2.97 3hu3A1 LYS 277 HE3 0.03 -0.03 -0.02 -0.04 2.99 2.93 3hu3A1 LEU 278 H 0.02 0.08 0.14 -0.55 8.37 8.06 3hu3A1 LEU 278 HA 0.01 0.11 0.47 -0.75 4.35 4.19 3hu3A1 LEU 278 HB2 0.01 -0.07 0.09 -0.04 1.64 1.64 3hu3A1 LEU 278 HB3 0.01 0.08 0.11 -0.04 1.64 1.80 3hu3A1 LEU 278 HG 0.01 0.00 0.10 -0.04 1.64 1.72 3hu3A1 LEU 278 HD13 0.01 0.01 0.04 -0.04 0.93 0.95 3hu3A1 LEU 278 HD23 0.01 0.02 0.04 -0.04 0.89 0.92 3hu3A1 ALA 279 H 0.01 0.14 0.18 -0.55 8.40 8.19 3hu3A1 ALA 279 HA 0.01 0.03 0.55 -0.75 4.34 4.18 3hu3A1 ALA 279 HB3 0.01 0.02 0.14 -0.04 1.41 1.54 3hu3A1 GLY 280 H 0.01 0.10 0.16 -0.55 8.43 8.16 3hu3A1 GLY 280 HA2 0.01 0.02 0.39 -0.51 4.01 3.91 3hu3A1 GLY 280 HA3 0.01 0.23 0.69 -0.51 4.01 4.43 3hu3A1 GLU 281 H 0.01 0.43 -0.64 -0.55 8.60 7.86 3hu3A1 GLU 281 HA 0.02 0.09 0.54 -0.75 4.29 4.18 3hu3A1 GLU 281 HB2 0.02 -0.00 0.03 -0.04 2.09 2.09 3hu3A1 GLU 281 HB3 0.02 0.08 0.06 -0.04 1.99 2.10 3hu3A1 GLU 281 HG2 0.03 0.01 -0.04 -0.04 2.34 2.30 3hu3A1 GLU 281 HG3 0.02 0.02 0.05 -0.04 2.34 2.39 3hu3A1 SER 282 H 0.02 0.36 -0.05 -0.55 8.46 8.24 3hu3A1 SER 282 HA 0.03 0.14 0.45 -0.75 4.49 4.37 3hu3A1 SER 282 HB2 0.02 -0.22 0.08 -0.04 3.95 3.79 3hu3A1 SER 282 HB3 0.03 0.01 -0.08 -0.04 3.93 3.85 3hu3A1 GLU 283 H 0.01 -0.01 -0.20 -0.55 8.60 7.86 3hu3A1 GLU 283 HA 0.01 0.09 0.35 -0.75 4.29 3.98 3hu3A1 GLU 283 HB2 0.00 0.04 0.04 -0.04 2.09 2.14 3hu3A1 GLU 283 HB3 -0.01 0.07 -0.01 -0.04 1.99 2.00 3hu3A1 GLU 283 HG2 -0.01 0.09 -0.08 -0.04 2.34 2.31 3hu3A1 GLU 283 HG3 0.00 0.01 -0.02 -0.04 2.34 2.29 3hu3A1 SER 284 H 0.01 0.38 -0.25 -0.55 8.46 8.05 3hu3A1 SER 284 HA 0.01 0.02 0.50 -0.75 4.49 4.26 3hu3A1 SER 284 HB2 0.01 0.03 0.14 -0.04 3.95 4.09 3hu3A1 SER 284 HB3 0.02 0.05 0.22 -0.04 3.93 4.18 3hu3A1 ASN 285 H 0.04 0.73 0.00 -0.55 8.53 8.75 3hu3A1 ASN 285 HA 0.06 -0.01 0.48 -0.75 4.76 4.54 3hu3A1 ASN 285 HB2 0.06 0.12 0.17 -0.04 2.88 3.19 3hu3A1 ASN 285 HB3 0.09 -0.04 -0.02 -0.04 2.79 2.78 3hu3A1 ASN 285 HD21 0.06 -0.04 -0.01 -0.04 7.03 7.00 3hu3A1 ASN 285 HD22 0.07 -0.00 -0.01 -0.04 7.74 7.75 3hu3A1 LEU 286 H 0.05 0.52 -0.17 -0.55 8.37 8.22 3hu3A1 LEU 286 HA 0.11 0.01 0.52 -0.75 4.35 4.23 3hu3A1 LEU 286 HB2 0.01 0.17 0.12 -0.04 1.64 1.90 3hu3A1 LEU 286 HB3 0.04 -0.02 -0.05 -0.04 1.64 1.57 3hu3A1 LEU 286 HG 0.05 0.14 0.00 -0.04 1.64 1.79 3hu3A1 LEU 286 HD13 0.02 -0.03 -0.07 -0.04 0.93 0.80 3hu3A1 LEU 286 HD23 0.12 -0.02 -0.04 -0.04 0.89 0.90 3hu3A1 ARG 287 H 0.01 0.43 -0.17 -0.55 8.46 8.18 3hu3A1 ARG 287 HA -0.01 0.05 0.37 -0.75 4.34 3.99 3hu3A1 ARG 287 HB2 -0.00 0.08 0.21 -0.04 1.90 2.14 3hu3A1 ARG 287 HB3 -0.01 -0.03 0.02 -0.04 1.80 1.73 3hu3A1 ARG 287 HG2 -0.07 -0.00 0.00 -0.04 1.67 1.56 3hu3A1 ARG 287 HG3 -0.03 0.20 0.05 -0.04 1.67 1.85 3hu3A1 ARG 287 HD2 -0.03 0.00 -0.02 -0.04 3.22 3.14 3hu3A1 ARG 287 HD3 -0.04 -0.03 -0.04 -0.04 3.22 3.08 3hu3A1 LYS 288 H 0.01 0.62 0.05 -0.55 8.42 8.54 3hu3A1 LYS 288 HA -0.01 -0.00 0.41 -0.75 4.32 3.97 3hu3A1 LYS 288 HB2 0.03 0.07 0.13 -0.04 1.87 2.07 3hu3A1 LYS 288 HB3 0.04 -0.01 0.01 -0.04 1.79 1.78 3hu3A1 LYS 288 HG2 0.02 -0.02 0.03 -0.04 1.46 1.45 3hu3A1 LYS 288 HG3 0.02 0.05 0.03 -0.04 1.46 1.52 3hu3A1 LYS 288 HD2 0.05 -0.02 -0.07 -0.04 1.69 1.61 3hu3A1 LYS 288 HD3 0.05 0.01 -0.02 -0.04 1.68 1.68 3hu3A1 LYS 288 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.91 3hu3A1 LYS 288 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.92 3hu3A1 ALA 289 H -0.08 0.45 -0.40 -0.55 8.40 7.82 3hu3A1 ALA 289 HA -1.35 0.01 0.42 -0.75 4.34 2.67 3hu3A1 ALA 289 HB3 -0.30 0.05 0.06 -0.04 1.41 1.18 3hu3A1 PHE 290 H 0.18 0.46 -0.09 -0.55 8.34 8.34 3hu3A1 PHE 290 HA -0.12 0.04 0.41 -0.75 4.62 4.19 3hu3A1 PHE 290 HB2 -0.08 0.10 0.20 -0.04 3.15 3.33 3hu3A1 PHE 290 HB3 -0.07 0.01 -0.00 -0.04 3.06 2.96 3hu3A1 PHE 290 HD2 -0.07 0.18 0.02 -0.04 7.28 7.37 3hu3A1 PHE 290 HE2 -0.04 -0.00 -0.11 -0.04 7.38 7.18 3hu3A1 PHE 290 HZ -0.02 -0.04 -0.09 -0.04 7.32 7.13 3hu3A1 GLU 291 H 0.02 0.55 -0.12 -0.55 8.60 8.51 3hu3A1 GLU 291 HA 0.01 0.04 0.41 -0.75 4.29 3.99 3hu3A1 GLU 291 HB2 -0.01 0.04 0.12 -0.04 2.09 2.20 3hu3A1 GLU 291 HB3 -0.01 -0.04 -0.04 -0.04 1.99 1.86 3hu3A1 GLU 291 HG2 0.00 -0.03 -0.01 -0.04 2.34 2.27 3hu3A1 GLU 291 HG3 0.02 0.10 0.00 -0.04 2.34 2.42 3hu3A1 GLU 292 H -0.09 0.59 -0.12 -0.55 8.60 8.44 3hu3A1 GLU 292 HA -0.05 0.00 0.45 -0.75 4.29 3.95 3hu3A1 GLU 292 HB2 -0.06 0.11 0.15 -0.04 2.09 2.25 3hu3A1 GLU 292 HB3 0.27 -0.01 -0.06 -0.04 1.99 2.16 3hu3A1 GLU 292 HG2 0.05 0.05 0.08 -0.04 2.34 2.47 3hu3A1 GLU 292 HG3 0.27 -0.06 0.01 -0.04 2.34 2.52 3hu3A1 ALA 293 H -0.09 0.46 -0.23 -0.55 8.40 7.99 3hu3A1 ALA 293 HA 0.22 0.03 0.26 -0.75 4.34 4.10 3hu3A1 ALA 293 HB3 -0.07 0.02 -0.03 -0.04 1.41 1.28 3hu3A1 GLU 294 H -0.03 0.53 -0.14 -0.55 8.60 8.42 3hu3A1 GLU 294 HA -0.00 0.09 0.36 -0.75 4.29 3.98 3hu3A1 GLU 294 HB2 -0.00 0.06 0.18 -0.04 2.09 2.28 3hu3A1 GLU 294 HB3 -0.00 -0.06 -0.03 -0.04 1.99 1.86 3hu3A1 GLU 294 HG2 0.02 -0.01 0.02 -0.04 2.34 2.33 3hu3A1 GLU 294 HG3 0.05 0.19 0.04 -0.04 2.34 2.58 3hu3A1 LYS 295 H -0.06 0.51 -0.18 -0.55 8.42 8.14 3hu3A1 LYS 295 HA -0.05 -0.03 0.42 -0.75 4.32 3.90 3hu3A1 LYS 295 HB2 -0.05 -0.07 0.12 -0.04 1.87 1.83 3hu3A1 LYS 295 HB3 -0.11 0.11 0.15 -0.04 1.79 1.91 3hu3A1 LYS 295 HG2 -0.10 0.06 -0.13 -0.04 1.46 1.25 3hu3A1 LYS 295 HG3 -0.05 -0.08 0.06 -0.04 1.46 1.35 3hu3A1 LYS 295 HD2 -0.04 -0.08 -0.01 -0.04 1.69 1.53 3hu3A1 LYS 295 HD3 -0.07 0.03 -0.01 -0.04 1.68 1.58 3hu3A1 LYS 295 HE2 -0.07 0.05 -0.04 -0.04 2.99 2.90 3hu3A1 LYS 295 HE3 -0.04 -0.04 -0.01 -0.04 2.99 2.87 3hu3A1 ASN 296 H -0.21 0.37 -0.44 -0.55 8.53 7.70 3hu3A1 ASN 296 HA -0.19 0.11 0.75 -0.75 4.76 4.68 3hu3A1 ASN 296 HB2 -1.12 0.09 0.07 -0.04 2.88 1.87 3hu3A1 ASN 296 HB3 -0.73 -0.06 0.17 -0.04 2.79 2.12 3hu3A1 ASN 296 HD21 -0.28 -0.15 -0.03 -0.04 7.03 6.52 3hu3A1 ASN 296 HD22 -0.52 0.48 0.07 -0.04 7.74 7.72 3hu3A1 ALA 297 H -0.05 0.24 -0.42 -0.55 8.40 7.62 3hu3A1 ALA 297 HA 0.04 -0.11 0.11 -0.75 4.34 3.64 3hu3A1 ALA 297 HB3 0.04 -0.03 0.16 -0.04 1.41 1.54 3hu3A1 PRO 298 HA 0.08 0.32 0.61 -0.51 4.44 4.94 3hu3A1 PRO 298 HB2 0.04 -0.09 0.10 -0.04 2.28 2.30 3hu3A1 PRO 298 HB3 0.05 0.03 0.19 -0.04 2.02 2.25 3hu3A1 PRO 298 HG2 -0.03 0.03 0.17 -0.04 2.03 2.15 3hu3A1 PRO 298 HG3 -0.11 -0.02 0.15 -0.04 2.03 2.02 3hu3A1 PRO 298 HD2 -0.00 0.03 0.31 -0.04 3.68 3.98 3hu3A1 PRO 298 HD3 -0.06 0.09 0.43 -0.04 3.65 4.07 3hu3A1 ALA 299 H 0.08 0.58 0.42 -0.55 8.40 8.93 3hu3A1 ALA 299 HA 0.18 0.18 0.91 -0.75 4.34 4.86 3hu3A1 ALA 299 HB3 0.20 0.02 -0.18 -0.04 1.41 1.41 3hu3A1 ILE 300 H 0.08 0.76 0.31 -0.55 8.25 8.85 3hu3A1 ILE 300 HA -0.02 0.31 0.98 -0.75 4.18 4.70 3hu3A1 ILE 300 HB 0.12 0.03 0.12 -0.04 1.89 2.13 3hu3A1 ILE 300 HG12 0.09 0.02 -0.06 -0.04 1.49 1.49 3hu3A1 ILE 300 HG13 0.11 0.02 -0.28 -0.04 1.21 1.01 3hu3A1 ILE 300 HG23 0.04 -0.05 -0.24 -0.04 0.93 0.64 3hu3A1 ILE 300 HD13 0.23 -0.02 -0.14 -0.04 0.88 0.91 3hu3A1 ILE 301 H -0.13 0.64 0.36 -0.55 8.25 8.57 3hu3A1 ILE 301 HA -0.23 0.26 0.92 -0.75 4.18 4.38 3hu3A1 ILE 301 HB -0.29 -0.03 0.14 -0.04 1.89 1.68 3hu3A1 ILE 301 HG12 -0.36 0.03 -0.07 -0.04 1.49 1.05 3hu3A1 ILE 301 HG13 -0.23 -0.00 -0.27 -0.04 1.21 0.67 3hu3A1 ILE 301 HG23 -0.29 -0.02 -0.15 -0.04 0.93 0.43 3hu3A1 ILE 301 HD13 -0.94 0.00 -0.11 -0.04 0.88 -0.21 3hu3A1 PHE 302 H -0.20 0.56 0.25 -0.55 8.34 8.41 3hu3A1 PHE 302 HA -0.04 0.32 0.90 -0.75 4.62 5.05 3hu3A1 PHE 302 HB2 -0.21 0.07 -0.10 -0.04 3.15 2.87 3hu3A1 PHE 302 HB3 -0.05 -0.08 0.07 -0.04 3.06 2.95 3hu3A1 PHE 302 HD2 0.14 0.01 -0.36 -0.04 7.28 7.02 3hu3A1 PHE 302 HE2 0.08 -0.08 -0.20 -0.04 7.38 7.13 3hu3A1 PHE 302 HZ 0.06 -0.03 -0.19 -0.04 7.32 7.12 3hu3A1 ILE 303 H -0.20 0.78 0.29 -0.55 8.25 8.58 3hu3A1 ILE 303 HA 0.14 0.33 1.00 -0.75 4.18 4.90 3hu3A1 ILE 303 HB -0.01 -0.06 0.25 -0.04 1.89 2.03 3hu3A1 ILE 303 HG12 0.10 0.00 -0.13 -0.04 1.49 1.42 3hu3A1 ILE 303 HG13 0.06 0.09 -0.14 -0.04 1.21 1.17 3hu3A1 ILE 303 HG23 0.07 -0.03 -0.15 -0.04 0.93 0.78 3hu3A1 ILE 303 HD13 0.27 0.00 -0.07 -0.04 0.88 1.05 3hu3A1 ASP 304 H 0.25 0.65 0.28 -0.55 8.40 9.04 3hu3A1 ASP 304 HA 0.31 -0.01 0.59 -0.75 4.63 4.77 3hu3A1 ASP 304 HB2 0.27 0.12 0.00 -0.04 2.71 3.06 3hu3A1 ASP 304 HB3 0.14 -0.06 0.09 -0.04 2.70 2.82 3hu3A1 GLU 305 H 0.10 0.09 0.17 -0.55 8.60 8.42 3hu3A1 GLU 305 HA 0.03 -0.04 0.47 -0.75 4.29 4.00 3hu3A1 GLU 305 HB2 0.05 0.07 0.21 -0.04 2.09 2.38 3hu3A1 GLU 305 HB3 0.03 -0.03 0.23 -0.04 1.99 2.18 3hu3A1 GLU 305 HG2 0.05 -0.04 0.07 -0.04 2.34 2.38 3hu3A1 GLU 305 HG3 0.06 -0.03 -0.12 -0.04 2.34 2.21 3hu3A1 LEU 306 H -0.03 0.64 0.23 -0.55 8.37 8.67 3hu3A1 LEU 306 HA -0.02 0.12 0.27 -0.75 4.35 3.96 3hu3A1 LEU 306 HB2 -0.18 0.10 0.12 -0.04 1.64 1.64 3hu3A1 LEU 306 HB3 -0.14 -0.06 0.04 -0.04 1.64 1.44 3hu3A1 LEU 306 HG -0.11 -0.03 -0.18 -0.04 1.64 1.28 3hu3A1 LEU 306 HD13 -0.05 0.01 -0.01 -0.04 0.93 0.84 3hu3A1 LEU 306 HD23 -0.54 0.02 -0.09 -0.04 0.89 0.24 3hu3A1 ASP 307 H -0.02 0.02 -0.17 -0.55 8.40 7.68 3hu3A1 ASP 307 HA -0.02 0.13 0.10 -0.75 4.63 4.09 3hu3A1 ASP 307 HB2 -0.00 0.09 -0.06 -0.04 2.71 2.69 3hu3A1 ASP 307 HB3 -0.01 0.08 0.01 -0.04 2.70 2.73 3hu3A1 ALA 308 H 0.01 0.31 -0.53 -0.55 8.40 7.64 3hu3A1 ALA 308 HA 0.01 0.07 0.40 -0.75 4.34 4.08 3hu3A1 ALA 308 HB3 0.02 0.00 0.02 -0.04 1.41 1.41 3hu3A1 ILE 309 H 0.02 0.35 -0.08 -0.55 8.25 7.99 3hu3A1 ILE 309 HA 0.02 0.19 0.90 -0.75 4.18 4.54 3hu3A1 ILE 309 HB 0.03 -0.03 0.04 -0.04 1.89 1.89 3hu3A1 ILE 309 HG12 0.03 0.10 0.06 -0.04 1.49 1.64 3hu3A1 ILE 309 HG13 0.04 0.02 -0.25 -0.04 1.21 0.98 3hu3A1 ILE 309 HG23 0.04 -0.03 -0.08 -0.04 0.93 0.83 3hu3A1 ILE 309 HD13 0.08 -0.01 -0.08 -0.04 0.88 0.83 3hu3A1 ALA 310 H 0.00 0.21 -0.20 -0.55 8.40 7.87 3hu3A1 ALA 310 HA 0.01 0.21 0.91 -0.75 4.34 4.71 3hu3A1 ALA 310 HB3 0.01 -0.02 -0.01 -0.04 1.41 1.35 3hu3A1 PRO 311 HA -0.01 0.23 0.74 -0.51 4.44 4.90 3hu3A1 PRO 311 HB2 0.00 -0.00 0.00 -0.04 2.28 2.24 3hu3A1 PRO 311 HB3 0.00 0.07 0.10 -0.04 2.02 2.15 3hu3A1 PRO 311 HG2 0.01 -0.04 -0.13 -0.04 2.03 1.83 3hu3A1 PRO 311 HG3 0.01 0.08 -0.02 -0.04 2.03 2.06 3hu3A1 PRO 311 HD2 0.01 0.09 -0.11 -0.04 3.68 3.62 3hu3A1 PRO 311 HD3 0.01 0.10 -0.53 -0.04 3.65 3.20 3hu3A1 LYS 312 H -0.01 0.40 0.13 -0.55 8.42 8.40 3hu3A1 LYS 312 HA -0.01 -0.05 0.32 -0.75 4.32 3.84 3hu3A1 LYS 312 HB2 -0.01 -0.07 0.12 -0.04 1.87 1.88 3hu3A1 LYS 312 HB3 -0.01 -0.01 -0.06 -0.04 1.79 1.67 3hu3A1 LYS 312 HG2 -0.01 -0.01 -0.07 -0.04 1.46 1.34 3hu3A1 LYS 312 HG3 -0.01 0.15 -0.32 -0.04 1.46 1.24 3hu3A1 LYS 312 HD2 -0.01 -0.01 0.02 -0.04 1.69 1.65 3hu3A1 LYS 312 HD3 -0.01 -0.08 -0.02 -0.04 1.68 1.53 3hu3A1 LYS 312 HE2 -0.01 -0.07 -0.01 -0.04 2.99 2.86 3hu3A1 LYS 312 HE3 -0.01 0.24 -0.05 -0.04 2.99 3.13 3hu3A1 ARG 313 H -0.01 0.11 0.13 -0.55 8.46 8.14 3hu3A1 ARG 313 HA -0.02 0.12 0.43 -0.75 4.34 4.11 3hu3A1 ARG 313 HB2 -0.01 -0.05 0.18 -0.04 1.90 1.99 3hu3A1 ARG 313 HB3 -0.02 0.03 0.24 -0.04 1.80 2.01 3hu3A1 ARG 313 HG2 -0.01 -0.01 0.09 -0.04 1.67 1.70 3hu3A1 ARG 313 HG3 -0.01 0.06 0.06 -0.04 1.67 1.74 3hu3A1 ARG 313 HD2 -0.01 0.00 0.04 -0.04 3.22 3.21 3hu3A1 ARG 313 HD3 -0.01 0.03 0.00 -0.04 3.22 3.20 3hu3A1 GLU 314 H -0.03 0.68 -0.06 -0.55 8.60 8.65 3hu3A1 GLU 314 HA -0.07 0.13 0.44 -0.75 4.29 4.04 3hu3A1 GLU 314 HB2 -0.05 -0.00 -0.00 -0.04 2.09 2.00 3hu3A1 GLU 314 HB3 -0.04 0.11 -0.01 -0.04 1.99 2.01 3hu3A1 GLU 314 HG2 -0.02 0.02 -0.17 -0.04 2.34 2.14 3hu3A1 GLU 314 HG3 -0.02 -0.14 -0.28 -0.04 2.34 1.86 3hu3A1 LYS 315 H -0.03 0.34 0.12 -0.55 8.42 8.31 3hu3A1 LYS 315 HA -0.02 0.14 0.63 -0.75 4.32 4.32 3hu3A1 LYS 315 HB2 -0.01 -0.04 0.11 -0.04 1.87 1.89 3hu3A1 LYS 315 HB3 0.00 0.03 0.15 -0.04 1.79 1.94 3hu3A1 LYS 315 HG2 0.03 -0.01 0.13 -0.04 1.46 1.56 3hu3A1 LYS 315 HG3 0.03 0.02 0.08 -0.04 1.46 1.54 3hu3A1 LYS 315 HD2 0.00 0.01 0.05 -0.04 1.69 1.72 3hu3A1 LYS 315 HD3 0.01 -0.01 0.03 -0.04 1.68 1.68 3hu3A1 LYS 315 HE2 0.01 0.01 -0.01 -0.04 2.99 2.95 3hu3A1 LYS 315 HE3 -0.00 -0.02 -0.03 -0.04 2.99 2.90 3hu3A1 THR 316 H -0.06 0.17 -0.67 -0.55 8.28 7.17 3hu3A1 THR 316 HA 0.05 0.10 0.54 -0.75 4.39 4.33 3hu3A1 THR 316 HB 0.01 -0.10 -0.05 -0.04 4.32 4.14 3hu3A1 THR 316 HG23 0.02 0.04 -0.03 -0.04 1.22 1.20 3hu3A1 HIS 317 H 0.20 0.17 0.02 -0.55 8.41 8.26 3hu3A1 HIS 317 HA 0.00 0.19 0.51 -0.75 4.63 4.58 3hu3A1 HIS 317 HB2 0.00 -0.03 0.07 -0.04 3.26 3.27 3hu3A1 HIS 317 HB3 0.00 0.00 0.06 -0.04 3.20 3.22 3hu3A1 HIS 317 HD2 0.00 -0.01 -0.07 -0.04 6.97 6.85 3hu3A1 HIS 317 HE1 0.00 0.00 -0.00 -0.04 7.75 7.71 3hu3A1 GLY 318 H 0.07 0.03 -0.21 -0.55 8.43 7.78 3hu3A1 GLY 318 HA2 0.04 0.12 0.50 -0.51 4.01 4.16 3hu3A1 GLY 318 HA3 0.04 -0.02 0.31 -0.51 4.01 3.83 3hu3A1 GLU 319 H 0.02 0.23 0.22 -0.55 8.60 8.52 3hu3A1 GLU 319 HA 0.01 0.17 0.51 -0.75 4.29 4.22 3hu3A1 GLU 319 HB2 0.01 -0.04 0.18 -0.04 2.09 2.21 3hu3A1 GLU 319 HB3 0.01 0.03 -0.05 -0.04 1.99 1.94 3hu3A1 GLU 319 HG2 0.00 0.04 0.07 -0.04 2.34 2.41 3hu3A1 GLU 319 HG3 0.01 0.06 0.09 -0.04 2.34 2.45 3hu3A1 VAL 320 H 0.01 0.09 -0.08 -0.55 8.24 7.71 3hu3A1 VAL 320 HA 0.01 0.11 0.51 -0.75 4.13 4.00 3hu3A1 VAL 320 HB 0.01 0.01 0.09 -0.04 2.12 2.19 3hu3A1 VAL 320 HG13 0.01 0.01 -0.03 -0.04 0.97 0.93 3hu3A1 VAL 320 HG23 0.01 0.01 0.05 -0.04 0.95 0.98 3hu3A1 GLU 321 H 0.02 -0.01 -0.29 -0.55 8.60 7.77 3hu3A1 GLU 321 HA 0.01 0.12 0.46 -0.75 4.29 4.13 3hu3A1 GLU 321 HB2 0.02 -0.05 0.12 -0.04 2.09 2.14 3hu3A1 GLU 321 HB3 0.02 0.10 -0.00 -0.04 1.99 2.07 3hu3A1 GLU 321 HG2 0.02 0.15 0.06 -0.04 2.34 2.53 3hu3A1 GLU 321 HG3 0.02 -0.06 0.02 -0.04 2.34 2.28 3hu3A1 ARG 322 H 0.00 0.47 -0.16 -0.55 8.46 8.22 3hu3A1 ARG 322 HA -0.00 0.07 0.46 -0.75 4.34 4.11 3hu3A1 ARG 322 HB2 -0.00 0.06 0.11 -0.04 1.90 2.03 3hu3A1 ARG 322 HB3 -0.01 -0.02 0.02 -0.04 1.80 1.75 3hu3A1 ARG 322 HG2 -0.01 -0.08 0.00 -0.04 1.67 1.54 3hu3A1 ARG 322 HG3 -0.01 0.10 -0.04 -0.04 1.67 1.68 3hu3A1 ARG 322 HD2 -0.02 -0.03 -0.02 -0.04 3.22 3.11 3hu3A1 ARG 322 HD3 -0.03 0.04 -0.09 -0.04 3.22 3.10 3hu3A1 ARG 323 H 0.00 0.32 -0.33 -0.55 8.46 7.90 3hu3A1 ARG 323 HA -0.01 0.04 0.46 -0.75 4.34 4.07 3hu3A1 ARG 323 HB2 -0.00 0.09 0.15 -0.04 1.90 2.09 3hu3A1 ARG 323 HB3 0.00 0.06 0.23 -0.04 1.80 2.06 3hu3A1 ARG 323 HG2 -0.00 -0.03 -0.15 -0.04 1.67 1.44 3hu3A1 ARG 323 HG3 -0.01 0.01 0.04 -0.04 1.67 1.67 3hu3A1 ARG 323 HD2 0.00 -0.08 0.02 -0.04 3.22 3.12 3hu3A1 ARG 323 HD3 -0.00 -0.01 -0.01 -0.04 3.22 3.16 3hu3A1 ILE 324 H 0.00 0.51 -0.12 -0.55 8.25 8.10 3hu3A1 ILE 324 HA -0.00 -0.03 0.53 -0.75 4.18 3.92 3hu3A1 ILE 324 HB 0.01 0.18 0.19 -0.04 1.89 2.23 3hu3A1 ILE 324 HG12 0.01 -0.13 -0.04 -0.04 1.49 1.29 3hu3A1 ILE 324 HG13 0.01 -0.03 0.06 -0.04 1.21 1.22 3hu3A1 ILE 324 HG23 0.02 0.03 -0.12 -0.04 0.93 0.81 3hu3A1 ILE 324 HD13 0.02 -0.02 -0.08 -0.04 0.88 0.75 3hu3A1 VAL 325 H 0.00 0.44 -0.06 -0.55 8.24 8.07 3hu3A1 VAL 325 HA 0.01 0.08 0.52 -0.75 4.13 3.98 3hu3A1 VAL 325 HB -0.00 0.09 0.16 -0.04 2.12 2.33 3hu3A1 VAL 325 HG13 0.01 -0.04 -0.09 -0.04 0.97 0.81 3hu3A1 VAL 325 HG23 0.01 0.10 0.14 -0.04 0.95 1.15 3hu3A1 SER 326 H -0.01 0.49 -0.18 -0.55 8.46 8.22 3hu3A1 SER 326 HA -0.02 -0.01 0.44 -0.75 4.49 4.15 3hu3A1 SER 326 HB2 -0.02 0.16 0.16 -0.04 3.95 4.21 3hu3A1 SER 326 HB3 -0.02 -0.05 0.02 -0.04 3.93 3.84 3hu3A1 GLN 327 H -0.02 0.45 -0.21 -0.55 8.47 8.14 3hu3A1 GLN 327 HA -0.06 0.02 0.47 -0.75 4.36 4.04 3hu3A1 GLN 327 HB2 -0.03 0.00 0.15 -0.04 2.15 2.23 3hu3A1 GLN 327 HB3 -0.03 0.14 0.18 -0.04 2.02 2.28 3hu3A1 GLN 327 HG2 -0.03 -0.06 0.05 -0.04 2.40 2.32 3hu3A1 GLN 327 HG3 -0.08 0.02 -0.19 -0.04 2.39 2.09 3hu3A1 GLN 327 HE21 -0.08 0.01 -0.00 -0.04 6.97 6.86 3hu3A1 GLN 327 HE22 -0.13 -0.04 0.09 -0.04 7.69 7.58 3hu3A1 LEU 328 H -0.03 0.49 -0.15 -0.55 8.37 8.13 3hu3A1 LEU 328 HA -0.15 0.03 0.40 -0.75 4.35 3.89 3hu3A1 LEU 328 HB2 0.03 0.00 0.07 -0.04 1.64 1.70 3hu3A1 LEU 328 HB3 0.02 0.11 0.13 -0.04 1.64 1.86 3hu3A1 LEU 328 HG 0.10 0.01 -0.20 -0.04 1.64 1.50 3hu3A1 LEU 328 HD13 0.15 -0.01 -0.01 -0.04 0.93 1.02 3hu3A1 LEU 328 HD23 0.15 -0.01 -0.07 -0.04 0.89 0.91 3hu3A1 LEU 329 H -0.03 0.54 -0.09 -0.55 8.37 8.24 3hu3A1 LEU 329 HA -0.03 0.03 0.41 -0.75 4.35 4.01 3hu3A1 LEU 329 HB2 -0.02 0.09 0.16 -0.04 1.64 1.84 3hu3A1 LEU 329 HB3 -0.03 0.02 -0.04 -0.04 1.64 1.54 3hu3A1 LEU 329 HG 0.00 0.04 -0.05 -0.04 1.64 1.59 3hu3A1 LEU 329 HD13 0.02 -0.04 -0.10 -0.04 0.93 0.76 3hu3A1 LEU 329 HD23 -0.00 -0.02 -0.07 -0.04 0.89 0.76 3hu3A1 THR 330 H -0.07 0.57 -0.18 -0.55 8.28 8.05 3hu3A1 THR 330 HA -0.07 0.00 0.41 -0.75 4.39 3.98 3hu3A1 THR 330 HB -0.10 0.15 0.14 -0.04 4.32 4.47 3hu3A1 THR 330 HG23 -0.07 -0.02 -0.09 -0.04 1.22 1.00 3hu3A1 LEU 331 H -0.24 0.41 -0.25 -0.55 8.37 7.74 3hu3A1 LEU 331 HA -0.33 0.02 0.42 -0.75 4.35 3.70 3hu3A1 LEU 331 HB2 -0.73 0.05 0.16 -0.04 1.64 1.09 3hu3A1 LEU 331 HB3 -2.00 -0.02 -0.01 -0.04 1.64 -0.43 3hu3A1 LEU 331 HG -0.29 0.07 0.01 -0.04 1.64 1.39 3hu3A1 LEU 331 HD13 -0.32 -0.01 -0.25 -0.04 0.93 0.31 3hu3A1 LEU 331 HD23 -0.25 -0.02 -0.01 -0.04 0.89 0.56 3hu3A1 MET 332 H -0.21 0.59 -0.07 -0.55 8.47 8.23 3hu3A1 MET 332 HA -0.01 0.05 0.49 -0.75 4.52 4.28 3hu3A1 MET 332 HB2 -0.08 0.04 0.17 -0.04 2.15 2.25 3hu3A1 MET 332 HB3 -0.12 0.05 0.03 -0.04 2.03 1.94 3hu3A1 MET 332 HG2 -0.01 0.10 0.02 -0.04 2.63 2.69 3hu3A1 MET 332 HG3 -0.05 -0.10 -0.03 -0.04 2.56 2.34 3hu3A1 MET 332 HE3 -0.74 0.02 -0.10 -0.04 2.10 1.24 3hu3A1 ASP 333 H -0.08 0.53 -0.03 -0.55 8.40 8.27 3hu3A1 ASP 333 HA -0.04 0.08 0.47 -0.75 4.63 4.39 3hu3A1 ASP 333 HB2 -0.05 0.04 0.11 -0.04 2.71 2.77 3hu3A1 ASP 333 HB3 -0.03 -0.08 0.01 -0.04 2.70 2.56 3hu3A1 GLY 334 H -0.09 0.34 -0.46 -0.55 8.43 7.67 3hu3A1 GLY 334 HA2 -0.04 -0.07 0.22 -0.51 4.01 3.61 3hu3A1 GLY 334 HA3 -0.06 -0.02 0.28 -0.51 4.01 3.70 3hu3A1 LEU 335 H -0.02 0.38 -0.50 -0.55 8.37 7.69 3hu3A1 LEU 335 HA 0.02 -0.06 0.49 -0.75 4.35 4.05 3hu3A1 LEU 335 HB2 0.00 0.19 0.20 -0.04 1.64 1.99 3hu3A1 LEU 335 HB3 0.00 0.01 0.04 -0.04 1.64 1.65 3hu3A1 LEU 335 HG 0.19 0.16 0.07 -0.04 1.64 2.02 3hu3A1 LEU 335 HD13 0.07 -0.00 -0.02 -0.04 0.93 0.94 3hu3A1 LEU 335 HD23 0.13 -0.03 -0.03 -0.04 0.89 0.91 3hu3A1 LYS 336 H -0.00 0.15 0.26 -0.55 8.42 8.28 3hu3A1 LYS 336 HA -0.01 0.05 0.37 -0.75 4.32 3.97 3hu3A1 LYS 336 HB2 -0.00 0.00 0.05 -0.04 1.87 1.88 3hu3A1 LYS 336 HB3 -0.01 -0.13 0.08 -0.04 1.79 1.69 3hu3A1 LYS 336 HG2 -0.00 -0.01 0.08 -0.04 1.46 1.49 3hu3A1 LYS 336 HG3 -0.00 0.15 0.17 -0.04 1.46 1.74 3hu3A1 LYS 336 HD2 0.00 0.03 0.01 -0.04 1.69 1.69 3hu3A1 LYS 336 HD3 0.00 -0.05 0.02 -0.04 1.68 1.61 3hu3A1 LYS 336 HE2 -0.00 -0.01 0.03 -0.04 2.99 2.97 3hu3A1 LYS 336 HE3 -0.00 0.04 0.04 -0.04 2.99 3.03 3hu3A1 GLN 337 H -0.02 0.09 0.19 -0.55 8.47 8.19 3hu3A1 GLN 337 HA -0.06 0.21 0.44 -0.75 4.36 4.20 3hu3A1 GLN 337 HB2 -0.02 -0.07 0.18 -0.04 2.15 2.20 3hu3A1 GLN 337 HB3 -0.03 0.02 0.02 -0.04 2.02 1.98 3hu3A1 GLN 337 HG2 -0.00 -0.04 0.05 -0.04 2.40 2.37 3hu3A1 GLN 337 HG3 -0.03 0.07 0.10 -0.04 2.39 2.49 3hu3A1 GLN 337 HE21 0.02 0.02 0.02 -0.04 6.97 6.99 3hu3A1 GLN 337 HE22 0.03 -0.03 0.03 -0.04 7.69 7.67 3hu3A1 ARG 338 H -0.03 0.01 -0.30 -0.55 8.46 7.59 3hu3A1 ARG 338 HA -0.14 0.21 0.71 -0.75 4.34 4.36 3hu3A1 ARG 338 HB2 0.06 0.05 0.14 -0.04 1.90 2.11 3hu3A1 ARG 338 HB3 0.01 -0.04 0.01 -0.04 1.80 1.74 3hu3A1 ARG 338 HG2 0.02 -0.04 -0.01 -0.04 1.67 1.59 3hu3A1 ARG 338 HG3 0.01 -0.05 -0.11 -0.04 1.67 1.48 3hu3A1 ARG 338 HD2 0.06 0.10 -0.19 -0.04 3.22 3.15 3hu3A1 ARG 338 HD3 0.06 0.00 0.00 -0.04 3.22 3.24 3hu3A1 ALA 339 H -0.06 0.49 -0.46 -0.55 8.40 7.83 3hu3A1 ALA 339 HA 0.05 0.10 0.44 -0.75 4.34 4.18 3hu3A1 ALA 339 HB3 0.00 -0.01 0.03 -0.04 1.41 1.39 3hu3A1 HIS 340 H -0.23 0.12 -0.25 -0.55 8.41 7.50 3hu3A1 HIS 340 HA -0.03 0.04 0.26 -0.75 4.63 4.14 3hu3A1 HIS 340 HB2 -0.01 0.16 -0.00 -0.04 3.26 3.37 3hu3A1 HIS 340 HB3 -0.01 -0.03 0.25 -0.04 3.20 3.36 3hu3A1 HIS 340 HD2 -0.02 0.09 0.06 -0.04 6.97 7.06 3hu3A1 HIS 340 HE1 0.01 -0.08 -0.00 -0.04 7.75 7.62 3hu3A1 VAL 341 H -0.04 0.15 -0.11 -0.55 8.24 7.69 3hu3A1 VAL 341 HA 0.01 0.35 0.90 -0.75 4.13 4.63 3hu3A1 VAL 341 HB -0.02 -0.06 -0.05 -0.04 2.12 1.96 3hu3A1 VAL 341 HG13 -0.09 -0.03 -0.28 -0.04 0.97 0.53 3hu3A1 VAL 341 HG23 0.01 0.05 -0.36 -0.04 0.95 0.61 3hu3A1 ILE 342 H -0.02 0.54 0.32 -0.55 8.25 8.54 3hu3A1 ILE 342 HA -0.07 0.25 0.95 -0.75 4.18 4.55 3hu3A1 ILE 342 HB -0.00 -0.07 0.13 -0.04 1.89 1.90 3hu3A1 ILE 342 HG12 -0.04 -0.07 -0.25 -0.04 1.49 1.09 3hu3A1 ILE 342 HG13 -0.03 0.05 -0.00 -0.04 1.21 1.18 3hu3A1 ILE 342 HG23 -0.02 -0.03 -0.22 -0.04 0.93 0.62 3hu3A1 ILE 342 HD13 -0.10 0.04 0.00 -0.04 0.88 0.78 3hu3A1 VAL 343 H -0.10 0.80 0.31 -0.55 8.24 8.70 3hu3A1 VAL 343 HA -0.09 0.14 1.04 -0.75 4.13 4.46 3hu3A1 VAL 343 HB -0.19 -0.00 0.19 -0.04 2.12 2.08 3hu3A1 VAL 343 HG13 0.07 -0.03 -0.08 -0.04 0.97 0.89 3hu3A1 VAL 343 HG23 -0.09 0.02 -0.10 -0.04 0.95 0.74 3hu3A1 MET 344 H -0.07 0.91 0.47 -0.55 8.47 9.23 3hu3A1 MET 344 HA -0.03 0.24 1.06 -0.75 4.52 5.04 3hu3A1 MET 344 HB2 -0.18 -0.05 0.12 -0.04 2.15 2.00 3hu3A1 MET 344 HB3 -0.42 -0.06 0.11 -0.04 2.03 1.62 3hu3A1 MET 344 HG2 0.03 0.01 -0.03 -0.04 2.63 2.60 3hu3A1 MET 344 HG3 0.05 0.06 -0.18 -0.04 2.56 2.45 3hu3A1 MET 344 HE3 0.25 -0.02 -0.09 -0.04 2.10 2.20 3hu3A1 ALA 345 H -0.28 0.63 0.46 -0.55 8.40 8.67 3hu3A1 ALA 345 HA -0.50 0.09 0.65 -0.75 4.34 3.82 3hu3A1 ALA 345 HB3 -0.46 -0.00 0.05 -0.04 1.41 0.95 3hu3A1 ALA 346 H -0.12 0.45 0.42 -0.55 8.40 8.60 3hu3A1 ALA 346 HA -0.02 0.49 0.99 -0.75 4.34 5.05 3hu3A1 ALA 346 HB3 0.24 -0.04 0.01 -0.04 1.41 1.58 3hu3A1 THR 347 H 0.05 0.72 0.41 -0.55 8.28 8.91 3hu3A1 THR 347 HA 0.02 -0.06 0.60 -0.75 4.39 4.20 3hu3A1 THR 347 HB -0.05 0.05 -0.08 -0.04 4.32 4.20 3hu3A1 THR 347 HG23 0.01 0.07 -0.18 -0.04 1.22 1.08 3hu3A1 ASN 348 H 0.03 0.10 0.17 -0.55 8.53 8.28 3hu3A1 ASN 348 HA 0.06 0.41 1.04 -0.75 4.76 5.52 3hu3A1 ASN 348 HB2 0.03 0.04 0.22 -0.04 2.88 3.13 3hu3A1 ASN 348 HB3 0.03 -0.05 0.03 -0.04 2.79 2.76 3hu3A1 ASN 348 HD21 0.02 0.04 0.03 -0.04 7.03 7.08 3hu3A1 ASN 348 HD22 0.02 -0.08 0.04 -0.04 7.74 7.68 3hu3A1 ARG 349 H 0.02 -0.04 -0.10 -0.55 8.46 7.79 3hu3A1 ARG 349 HA 0.01 0.25 0.70 -0.75 4.34 4.54 3hu3A1 ARG 349 HB2 -0.00 -0.05 0.16 -0.04 1.90 1.97 3hu3A1 ARG 349 HB3 -0.00 0.03 0.10 -0.04 1.80 1.89 3hu3A1 ARG 349 HG2 0.01 0.10 -0.02 -0.04 1.67 1.71 3hu3A1 ARG 349 HG3 0.01 -0.05 -0.43 -0.04 1.67 1.16 3hu3A1 ARG 349 HD2 0.01 0.05 -0.04 -0.04 3.22 3.19 3hu3A1 ARG 349 HD3 0.01 -0.11 -0.03 -0.04 3.22 3.04 3hu3A1 PRO 350 HA -0.05 0.09 0.37 -0.51 4.44 4.33 3hu3A1 PRO 350 HB2 -0.21 0.13 -0.07 -0.04 2.28 2.09 3hu3A1 PRO 350 HB3 -0.10 0.04 -0.02 -0.04 2.02 1.90 3hu3A1 PRO 350 HG2 -0.14 0.06 0.00 -0.04 2.03 1.91 3hu3A1 PRO 350 HG3 -0.14 0.07 -0.05 -0.04 2.03 1.87 3hu3A1 PRO 350 HD2 0.01 0.19 -0.03 -0.04 3.68 3.80 3hu3A1 PRO 350 HD3 0.06 0.08 -0.30 -0.04 3.65 3.46 3hu3A1 ASN 351 H -0.05 0.12 -0.18 -0.55 8.53 7.88 3hu3A1 ASN 351 HA -0.05 0.17 0.37 -0.75 4.76 4.50 3hu3A1 ASN 351 HB2 -0.03 -0.03 -0.02 -0.04 2.88 2.77 3hu3A1 ASN 351 HB3 -0.03 0.05 0.08 -0.04 2.79 2.85 3hu3A1 ASN 351 HD21 -0.04 0.03 -0.02 -0.04 7.03 6.96 3hu3A1 ASN 351 HD22 -0.03 -0.00 -0.01 -0.04 7.74 7.66 3hu3A1 SER 352 H -0.03 0.17 -0.70 -0.55 8.46 7.36 3hu3A1 SER 352 HA -0.01 0.15 0.72 -0.75 4.49 4.60 3hu3A1 SER 352 HB2 -0.01 0.09 0.03 -0.04 3.95 4.02 3hu3A1 SER 352 HB3 -0.01 -0.02 0.11 -0.04 3.93 3.98 3hu3A1 ILE 353 H -0.03 0.38 -0.21 -0.55 8.25 7.83 3hu3A1 ILE 353 HA -0.02 0.15 0.62 -0.75 4.18 4.17 3hu3A1 ILE 353 HB -0.05 0.17 0.08 -0.04 1.89 2.04 3hu3A1 ILE 353 HG12 -0.07 0.02 -0.17 -0.04 1.49 1.22 3hu3A1 ILE 353 HG13 -0.04 -0.09 -0.14 -0.04 1.21 0.90 3hu3A1 ILE 353 HG23 -0.04 0.06 -0.18 -0.04 0.93 0.72 3hu3A1 ILE 353 HD13 -0.09 -0.05 -0.07 -0.04 0.88 0.63 3hu3A1 ASP 354 H -0.01 0.57 0.10 -0.55 8.40 8.52 3hu3A1 ASP 354 HA -0.00 0.01 0.40 -0.75 4.63 4.27 3hu3A1 ASP 354 HB2 0.00 0.21 -0.25 -0.04 2.71 2.64 3hu3A1 ASP 354 HB3 0.01 -0.01 0.05 -0.04 2.70 2.71 3hu3A1 PRO 355 HA 0.01 0.14 0.35 -0.51 4.44 4.43 3hu3A1 PRO 355 HB2 0.00 -0.01 -0.02 -0.04 2.28 2.21 3hu3A1 PRO 355 HB3 0.00 0.06 0.05 -0.04 2.02 2.09 3hu3A1 PRO 355 HG2 -0.00 0.01 0.06 -0.04 2.03 2.05 3hu3A1 PRO 355 HG3 -0.01 0.13 0.07 -0.04 2.03 2.19 3hu3A1 PRO 355 HD2 -0.00 -0.01 0.20 -0.04 3.68 3.82 3hu3A1 PRO 355 HD3 -0.01 0.25 0.22 -0.04 3.65 4.06 3hu3A1 ALA 356 H 0.01 0.06 -0.33 -0.55 8.40 7.59 3hu3A1 ALA 356 HA 0.02 0.10 0.38 -0.75 4.34 4.08 3hu3A1 ALA 356 HB3 0.01 0.01 0.01 -0.04 1.41 1.41 3hu3A1 LEU 357 H 0.05 0.32 -0.34 -0.55 8.37 7.85 3hu3A1 LEU 357 HA 0.10 0.10 0.45 -0.75 4.35 4.24 3hu3A1 LEU 357 HB2 0.08 0.22 0.03 -0.04 1.64 1.93 3hu3A1 LEU 357 HB3 0.27 -0.04 0.01 -0.04 1.64 1.85 3hu3A1 LEU 357 HG 0.07 -0.08 -0.05 -0.04 1.64 1.55 3hu3A1 LEU 357 HD13 0.07 -0.00 -0.01 -0.04 0.93 0.95 3hu3A1 LEU 357 HD23 0.17 0.01 -0.07 -0.04 0.89 0.95 3hu3A1 ARG 358 H 0.06 0.35 -0.58 -0.55 8.46 7.74 3hu3A1 ARG 358 HA 0.12 0.30 0.84 -0.75 4.34 4.84 3hu3A1 ARG 358 HB2 0.03 0.01 0.04 -0.04 1.90 1.94 3hu3A1 ARG 358 HB3 0.04 -0.00 0.13 -0.04 1.80 1.92 3hu3A1 ARG 358 HG2 0.04 0.06 -0.10 -0.04 1.67 1.64 3hu3A1 ARG 358 HG3 0.05 -0.10 -0.34 -0.04 1.67 1.23 3hu3A1 ARG 358 HD2 -0.03 -0.01 -0.15 -0.04 3.22 2.98 3hu3A1 ARG 358 HD3 -0.01 -0.01 -0.10 -0.04 3.22 3.06 3hu3A1 ARG 359 H 0.05 0.26 -0.35 -0.55 8.46 7.88 3hu3A1 ARG 359 HA 0.07 0.01 0.52 -0.75 4.34 4.19 3hu3A1 ARG 359 HB2 0.05 0.09 -0.03 -0.04 1.90 1.98 3hu3A1 ARG 359 HB3 0.08 -0.03 0.04 -0.04 1.80 1.84 3hu3A1 ARG 359 HG2 0.04 0.09 0.11 -0.04 1.67 1.86 3hu3A1 ARG 359 HG3 0.03 -0.05 0.04 -0.04 1.67 1.65 3hu3A1 ARG 359 HD2 0.03 -0.03 -0.00 -0.04 3.22 3.18 3hu3A1 ARG 359 HD3 0.04 0.03 -0.09 -0.04 3.22 3.15 3hu3A1 PHE 360 H 0.19 0.08 0.10 -0.55 8.34 8.16 3hu3A1 PHE 360 HA -0.00 -0.00 0.44 -0.75 4.62 4.30 3hu3A1 PHE 360 HB2 -0.00 -0.00 0.15 -0.04 3.15 3.25 3hu3A1 PHE 360 HB3 -0.01 -0.02 0.08 -0.04 3.06 3.07 3hu3A1 PHE 360 HD2 -0.01 -0.00 -0.14 -0.04 7.28 7.09 3hu3A1 PHE 360 HE2 -0.00 0.02 -0.02 -0.04 7.38 7.33 3hu3A1 PHE 360 HZ -0.00 0.02 -0.00 -0.04 7.32 7.30 3hu3A1 GLY 361 H -0.42 0.07 0.16 -0.55 8.43 7.70 3hu3A1 GLY 361 HA2 -0.29 -0.01 0.35 -0.51 4.01 3.55 3hu3A1 GLY 361 HA3 -0.05 0.12 0.42 -0.51 4.01 3.98 3hu3A1 ARG 362 H -0.08 0.46 -0.37 -0.55 8.46 7.91 3hu3A1 ARG 362 HA -0.23 0.21 0.78 -0.75 4.34 4.34 3hu3A1 ARG 362 HB2 -0.01 0.09 -0.01 -0.04 1.90 1.93 3hu3A1 ARG 362 HB3 -0.10 -0.07 0.15 -0.04 1.80 1.73 3hu3A1 ARG 362 HG2 -0.06 0.06 -0.21 -0.04 1.67 1.42 3hu3A1 ARG 362 HG3 -0.01 0.08 -0.31 -0.04 1.67 1.40 3hu3A1 ARG 362 HD2 0.02 0.28 0.06 -0.04 3.22 3.54 3hu3A1 ARG 362 HD3 0.00 -0.12 -0.01 -0.04 3.22 3.05 3hu3A1 PHE 363 H 0.04 0.66 0.18 -0.55 8.34 8.67 3hu3A1 PHE 363 HA -0.03 0.08 0.72 -0.75 4.62 4.63 3hu3A1 PHE 363 HB2 -0.02 0.14 0.13 -0.04 3.15 3.36 3hu3A1 PHE 363 HB3 -0.02 -0.07 -0.03 -0.04 3.06 2.91 3hu3A1 PHE 363 HD2 -0.03 0.04 -0.23 -0.04 7.28 7.03 3hu3A1 PHE 363 HE2 -0.04 0.01 -0.25 -0.04 7.38 7.06 3hu3A1 PHE 363 HZ -0.00 0.00 -0.15 -0.04 7.32 7.13 3hu3A1 ASP 364 H -0.03 0.31 0.01 -0.55 8.40 8.15 3hu3A1 ASP 364 HA 0.04 0.26 0.69 -0.75 4.63 4.87 3hu3A1 ASP 364 HB2 -0.03 -0.02 0.11 -0.04 2.71 2.73 3hu3A1 ASP 364 HB3 -0.03 0.03 -0.37 -0.04 2.70 2.29 3hu3A1 ARG 365 H 0.06 0.38 0.10 -0.55 8.46 8.45 3hu3A1 ARG 365 HA 0.04 0.17 0.76 -0.75 4.34 4.55 3hu3A1 ARG 365 HB2 0.03 0.05 0.05 -0.04 1.90 1.99 3hu3A1 ARG 365 HB3 0.04 -0.03 0.09 -0.04 1.80 1.86 3hu3A1 ARG 365 HG2 -0.03 -0.10 -0.25 -0.04 1.67 1.25 3hu3A1 ARG 365 HG3 -0.00 0.05 -0.02 -0.04 1.67 1.66 3hu3A1 ARG 365 HD2 0.02 -0.07 0.12 -0.04 3.22 3.26 3hu3A1 ARG 365 HD3 0.01 0.42 0.18 -0.04 3.22 3.78 3hu3A1 GLU 366 H 0.08 0.30 0.18 -0.55 8.60 8.60 3hu3A1 GLU 366 HA 0.14 0.26 0.99 -0.75 4.29 4.93 3hu3A1 GLU 366 HB2 0.13 -0.02 -0.02 -0.04 2.09 2.15 3hu3A1 GLU 366 HB3 0.40 -0.05 -0.11 -0.04 1.99 2.19 3hu3A1 GLU 366 HG2 0.10 -0.01 -0.08 -0.04 2.34 2.31 3hu3A1 GLU 366 HG3 0.07 0.08 -0.56 -0.04 2.34 1.89 3hu3A1 VAL 367 H 0.10 0.76 0.33 -0.55 8.24 8.88 3hu3A1 VAL 367 HA -0.00 0.14 0.89 -0.75 4.13 4.41 3hu3A1 VAL 367 HB 0.00 -0.04 0.05 -0.04 2.12 2.09 3hu3A1 VAL 367 HG13 -0.03 0.00 -0.14 -0.04 0.97 0.76 3hu3A1 VAL 367 HG23 0.03 0.01 -0.27 -0.04 0.95 0.68 3hu3A1 ASP 368 H -0.13 0.18 0.09 -0.55 8.40 7.99 3hu3A1 ASP 368 HA -1.16 0.17 0.67 -0.75 4.63 3.56 3hu3A1 ASP 368 HB2 -0.17 0.02 0.06 -0.04 2.71 2.58 3hu3A1 ASP 368 HB3 -0.12 -0.02 0.19 -0.04 2.70 2.71 3hu3A1 ILE 369 H -0.36 0.83 0.39 -0.55 8.25 8.57 3hu3A1 ILE 369 HA -0.08 0.07 0.72 -0.75 4.18 4.13 3hu3A1 ILE 369 HB -0.06 -0.05 0.05 -0.04 1.89 1.79 3hu3A1 ILE 369 HG12 -0.10 0.15 -0.01 -0.04 1.49 1.48 3hu3A1 ILE 369 HG13 0.00 -0.11 -0.08 -0.04 1.21 0.98 3hu3A1 ILE 369 HG23 -0.01 -0.03 -0.27 -0.04 0.93 0.58 3hu3A1 ILE 369 HD13 -0.02 0.02 -0.20 -0.04 0.88 0.64 3hu3A1 GLY 370 H -0.06 0.18 -0.00 -0.55 8.43 8.00 3hu3A1 GLY 370 HA2 -0.04 0.14 0.60 -0.51 4.01 4.20 3hu3A1 GLY 370 HA3 -0.04 -0.01 0.26 -0.51 4.01 3.71 3hu3A1 ILE 371 H -0.02 0.10 0.14 -0.55 8.25 7.92 3hu3A1 ILE 371 HA -0.02 0.10 0.49 -0.75 4.18 3.99 3hu3A1 ILE 371 HB -0.03 -0.04 0.14 -0.04 1.89 1.92 3hu3A1 ILE 371 HG12 -0.03 0.06 -0.03 -0.04 1.49 1.44 3hu3A1 ILE 371 HG13 -0.02 -0.15 0.06 -0.04 1.21 1.06 3hu3A1 ILE 371 HG23 -0.08 0.08 -0.10 -0.04 0.93 0.79 3hu3A1 ILE 371 HD13 -0.02 0.01 0.03 -0.04 0.88 0.86 3hu3A1 PRO 372 HA -0.01 0.06 0.62 -0.51 4.44 4.61 3hu3A1 PRO 372 HB2 -0.00 -0.05 0.02 -0.04 2.28 2.20 3hu3A1 PRO 372 HB3 -0.00 0.05 0.11 -0.04 2.02 2.13 3hu3A1 PRO 372 HG2 -0.01 0.18 0.07 -0.04 2.03 2.23 3hu3A1 PRO 372 HG3 0.00 -0.09 0.05 -0.04 2.03 1.96 3hu3A1 PRO 372 HD2 -0.02 0.21 0.28 -0.04 3.68 4.11 3hu3A1 PRO 372 HD3 -0.01 0.13 0.34 -0.04 3.65 4.07 3hu3A1 ASP 373 H -0.00 -0.01 0.22 -0.55 8.40 8.07 3hu3A1 ASP 373 HA 0.00 0.33 0.86 -0.75 4.63 5.07 3hu3A1 ASP 373 HB2 0.02 -0.08 0.25 -0.04 2.71 2.86 3hu3A1 ASP 373 HB3 0.01 0.17 0.15 -0.04 2.70 2.99 3hu3A1 ALA 374 H 0.03 0.22 0.16 -0.55 8.40 8.26 3hu3A1 ALA 374 HA 0.01 0.21 0.24 -0.75 4.34 4.05 3hu3A1 ALA 374 HB3 0.02 0.04 0.04 -0.04 1.41 1.46 3hu3A1 THR 375 H 0.01 0.09 -0.10 -0.55 8.28 7.73 3hu3A1 THR 375 HA -0.00 0.13 0.52 -0.75 4.39 4.29 3hu3A1 THR 375 HB 0.00 -0.04 0.06 -0.04 4.32 4.30 3hu3A1 THR 375 HG23 0.00 0.02 -0.05 -0.04 1.22 1.15 3hu3A1 GLY 376 H 0.00 0.03 -0.20 -0.55 8.43 7.72 3hu3A1 GLY 376 HA2 0.01 -0.03 0.59 -0.51 4.01 4.07 3hu3A1 GLY 376 HA3 0.00 0.06 0.37 -0.51 4.01 3.93 3hu3A1 ARG 377 H -0.00 0.69 -0.11 -0.55 8.46 8.48 3hu3A1 ARG 377 HA 0.00 0.02 0.30 -0.75 4.34 3.91 3hu3A1 ARG 377 HB2 -0.01 0.04 0.08 -0.04 1.90 1.97 3hu3A1 ARG 377 HB3 -0.03 -0.01 -0.05 -0.04 1.80 1.67 3hu3A1 ARG 377 HG2 -0.00 -0.06 -0.08 -0.04 1.67 1.49 3hu3A1 ARG 377 HG3 -0.01 0.08 -0.23 -0.04 1.67 1.48 3hu3A1 ARG 377 HD2 -0.04 -0.07 -0.04 -0.04 3.22 3.04 3hu3A1 ARG 377 HD3 -0.00 0.11 -0.03 -0.04 3.22 3.27 3hu3A1 LEU 378 H -0.01 0.47 -0.23 -0.55 8.37 8.05 3hu3A1 LEU 378 HA -0.02 0.04 0.40 -0.75 4.35 4.01 3hu3A1 LEU 378 HB2 -0.02 0.03 0.11 -0.04 1.64 1.72 3hu3A1 LEU 378 HB3 -0.01 0.10 0.16 -0.04 1.64 1.85 3hu3A1 LEU 378 HG -0.01 0.04 -0.25 -0.04 1.64 1.38 3hu3A1 LEU 378 HD13 -0.04 -0.02 -0.20 -0.04 0.93 0.63 3hu3A1 LEU 378 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 3hu3A1 GLU 379 H 0.00 0.43 -0.15 -0.55 8.60 8.34 3hu3A1 GLU 379 HA 0.01 0.05 0.49 -0.75 4.29 4.08 3hu3A1 GLU 379 HB2 0.01 0.13 0.26 -0.04 2.09 2.45 3hu3A1 GLU 379 HB3 0.02 -0.02 0.06 -0.04 1.99 2.01 3hu3A1 GLU 379 HG2 0.01 0.04 0.09 -0.04 2.34 2.43 3hu3A1 GLU 379 HG3 0.01 0.17 0.15 -0.04 2.34 2.63 3hu3A1 ILE 380 H 0.02 0.54 -0.21 -0.55 8.25 8.05 3hu3A1 ILE 380 HA 0.10 0.01 0.37 -0.75 4.18 3.90 3hu3A1 ILE 380 HB 0.02 0.16 0.11 -0.04 1.89 2.14 3hu3A1 ILE 380 HG12 0.06 -0.05 0.03 -0.04 1.49 1.49 3hu3A1 ILE 380 HG13 0.03 -0.03 -0.09 -0.04 1.21 1.08 3hu3A1 ILE 380 HG23 0.03 -0.02 -0.08 -0.04 0.93 0.81 3hu3A1 ILE 380 HD13 0.01 -0.01 -0.13 -0.04 0.88 0.71 3hu3A1 LEU 381 H 0.02 0.50 -0.21 -0.55 8.37 8.13 3hu3A1 LEU 381 HA 0.07 0.02 0.30 -0.75 4.35 3.99 3hu3A1 LEU 381 HB2 -0.03 0.07 0.07 -0.04 1.64 1.71 3hu3A1 LEU 381 HB3 -0.04 -0.08 -0.05 -0.04 1.64 1.44 3hu3A1 LEU 381 HG -0.01 0.10 -0.05 -0.04 1.64 1.64 3hu3A1 LEU 381 HD13 -0.08 -0.02 -0.20 -0.04 0.93 0.58 3hu3A1 LEU 381 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.76 3hu3A1 GLN 382 H 0.03 0.47 -0.26 -0.55 8.47 8.16 3hu3A1 GLN 382 HA 0.02 0.04 0.53 -0.75 4.36 4.19 3hu3A1 GLN 382 HB2 0.01 0.10 0.10 -0.04 2.15 2.32 3hu3A1 GLN 382 HB3 0.01 -0.01 0.03 -0.04 2.02 2.00 3hu3A1 GLN 382 HG2 -0.01 -0.07 -0.02 -0.04 2.40 2.25 3hu3A1 GLN 382 HG3 -0.01 0.22 0.02 -0.04 2.39 2.58 3hu3A1 GLN 382 HE21 -0.01 -0.02 -0.05 -0.04 6.97 6.86 3hu3A1 GLN 382 HE22 -0.01 -0.05 -0.04 -0.04 7.69 7.55 3hu3A1 ILE 383 H 0.05 0.44 -0.13 -0.55 8.25 8.05 3hu3A1 ILE 383 HA -0.01 0.07 0.50 -0.75 4.18 3.99 3hu3A1 ILE 383 HB 0.09 0.08 0.17 -0.04 1.89 2.18 3hu3A1 ILE 383 HG12 -0.01 0.18 0.07 -0.04 1.49 1.69 3hu3A1 ILE 383 HG13 0.01 -0.07 0.01 -0.04 1.21 1.13 3hu3A1 ILE 383 HG23 -0.17 0.02 -0.13 -0.04 0.93 0.60 3hu3A1 ILE 383 HD13 0.04 -0.01 -0.39 -0.04 0.88 0.48 3hu3A1 HIS 384 H 0.18 0.45 -0.13 -0.55 8.41 8.37 3hu3A1 HIS 384 HA 0.02 0.12 0.46 -0.75 4.63 4.48 3hu3A1 HIS 384 HB2 0.04 0.10 0.04 -0.04 3.26 3.40 3hu3A1 HIS 384 HB3 0.05 -0.04 0.04 -0.04 3.20 3.21 3hu3A1 HIS 384 HD2 0.02 -0.00 0.04 -0.04 6.97 6.98 3hu3A1 HIS 384 HE1 0.01 -0.03 -0.00 -0.04 7.75 7.69 3hu3A1 THR 385 H 0.08 0.27 -0.52 -0.55 8.28 7.56 3hu3A1 THR 385 HA 0.10 0.17 0.95 -0.75 4.39 4.87 3hu3A1 THR 385 HB 0.11 -0.05 0.11 -0.04 4.32 4.45 3hu3A1 THR 385 HG23 0.21 -0.02 -0.08 -0.04 1.22 1.28 3hu3A1 LYS 386 H 0.01 0.34 -0.26 -0.55 8.42 7.96 3hu3A1 LYS 386 HA 0.01 0.04 0.28 -0.75 4.32 3.90 3hu3A1 LYS 386 HB2 -0.00 -0.07 0.09 -0.04 1.87 1.85 3hu3A1 LYS 386 HB3 -0.00 0.21 0.20 -0.04 1.79 2.15 3hu3A1 LYS 386 HG2 -0.03 0.09 0.11 -0.04 1.46 1.59 3hu3A1 LYS 386 HG3 -0.02 -0.04 -0.17 -0.04 1.46 1.20 3hu3A1 LYS 386 HD2 -0.02 -0.06 -0.02 -0.04 1.69 1.55 3hu3A1 LYS 386 HD3 -0.03 0.01 0.09 -0.04 1.68 1.71 3hu3A1 LYS 386 HE2 -0.07 0.03 0.01 -0.04 2.99 2.92 3hu3A1 LYS 386 HE3 -0.04 -0.02 -0.05 -0.04 2.99 2.84 3hu3A1 ASN 387 H 0.00 0.10 -0.33 -0.55 8.53 7.76 3hu3A1 ASN 387 HA 0.00 0.19 0.73 -0.75 4.76 4.93 3hu3A1 ASN 387 HB2 -0.01 0.00 -0.02 -0.04 2.88 2.81 3hu3A1 ASN 387 HB3 -0.01 -0.03 0.11 -0.04 2.79 2.82 3hu3A1 ASN 387 HD21 -0.03 0.05 -0.07 -0.04 7.03 6.94 3hu3A1 ASN 387 HD22 -0.03 -0.01 -0.05 -0.04 7.74 7.62 3hu3A1 MET 388 H 0.03 0.54 -0.58 -0.55 8.47 7.92 3hu3A1 MET 388 HA 0.02 0.08 0.74 -0.75 4.52 4.61 3hu3A1 MET 388 HB2 0.06 0.01 -0.03 -0.04 2.15 2.15 3hu3A1 MET 388 HB3 0.08 0.09 0.09 -0.04 2.03 2.25 3hu3A1 MET 388 HG2 0.06 0.01 -0.26 -0.04 2.63 2.41 3hu3A1 MET 388 HG3 0.03 -0.03 0.01 -0.04 2.56 2.53 3hu3A1 MET 388 HE3 0.07 0.05 -0.09 -0.04 2.10 2.09 3hu3A1 LYS 389 H 0.02 0.13 0.09 -0.55 8.42 8.10 3hu3A1 LYS 389 HA 0.02 0.13 0.64 -0.75 4.32 4.36 3hu3A1 LYS 389 HB2 0.01 -0.08 0.21 -0.04 1.87 1.96 3hu3A1 LYS 389 HB3 0.01 0.07 0.08 -0.04 1.79 1.91 3hu3A1 LYS 389 HG2 0.01 0.01 -0.01 -0.04 1.46 1.42 3hu3A1 LYS 389 HG3 0.01 -0.04 0.04 -0.04 1.46 1.42 3hu3A1 LYS 389 HD2 -0.00 -0.07 0.01 -0.04 1.69 1.59 3hu3A1 LYS 389 HD3 -0.00 0.10 0.05 -0.04 1.68 1.79 3hu3A1 LYS 389 HE2 0.00 -0.03 -0.01 -0.04 2.99 2.91 3hu3A1 LYS 389 HE3 0.00 -0.10 -0.00 -0.04 2.99 2.85 3hu3A1 LEU 390 H 0.04 0.29 0.22 -0.55 8.37 8.37 3hu3A1 LEU 390 HA 0.09 0.09 1.01 -0.75 4.35 4.78 3hu3A1 LEU 390 HB2 0.05 0.02 0.12 -0.04 1.64 1.79 3hu3A1 LEU 390 HB3 0.08 -0.01 0.08 -0.04 1.64 1.76 3hu3A1 LEU 390 HG 0.08 0.21 -0.10 -0.04 1.64 1.79 3hu3A1 LEU 390 HD13 0.04 -0.02 -0.03 -0.04 0.93 0.88 3hu3A1 LEU 390 HD23 0.27 -0.03 -0.12 -0.04 0.89 0.96 3hu3A1 ALA 391 H 0.07 0.59 0.25 -0.55 8.40 8.75 3hu3A1 ALA 391 HA 0.03 0.17 0.62 -0.75 4.34 4.40 3hu3A1 ALA 391 HB3 0.04 -0.05 0.07 -0.04 1.41 1.43 3hu3A1 ASP 392 H 0.02 0.13 0.16 -0.55 8.40 8.17 3hu3A1 ASP 392 HA 0.01 0.22 0.45 -0.75 4.63 4.56 3hu3A1 ASP 392 HB2 0.01 -0.05 0.11 -0.04 2.71 2.74 3hu3A1 ASP 392 HB3 0.01 0.03 0.06 -0.04 2.70 2.76 3hu3A1 ASP 393 H 0.03 -0.02 -0.13 -0.55 8.40 7.73 3hu3A1 ASP 393 HA 0.01 0.22 0.55 -0.75 4.63 4.66 3hu3A1 ASP 393 HB2 0.02 0.03 0.12 -0.04 2.71 2.84 3hu3A1 ASP 393 HB3 0.02 0.06 0.07 -0.04 2.70 2.80 3hu3A1 VAL 394 H 0.04 0.25 -0.48 -0.55 8.24 7.50 3hu3A1 VAL 394 HA 0.02 -0.11 0.36 -0.75 4.13 3.66 3hu3A1 VAL 394 HB 0.02 0.20 0.06 -0.04 2.12 2.36 3hu3A1 VAL 394 HG13 -0.18 -0.02 -0.25 -0.04 0.97 0.48 3hu3A1 VAL 394 HG23 0.19 -0.04 -0.12 -0.04 0.95 0.94 3hu3A1 ASP 395 H -0.06 0.14 0.16 -0.55 8.40 8.09 3hu3A1 ASP 395 HA -0.05 0.21 0.89 -0.75 4.63 4.92 3hu3A1 ASP 395 HB2 -0.02 0.17 0.02 -0.04 2.71 2.83 3hu3A1 ASP 395 HB3 -0.04 -0.02 0.21 -0.04 2.70 2.82 3hu3A1 LEU 396 H -0.09 0.32 0.03 -0.55 8.37 8.09 3hu3A1 LEU 396 HA -0.23 0.08 0.25 -0.75 4.35 3.70 3hu3A1 LEU 396 HB2 -0.08 0.03 0.04 -0.04 1.64 1.59 3hu3A1 LEU 396 HB3 -0.10 0.04 -0.05 -0.04 1.64 1.49 3hu3A1 LEU 396 HG -0.14 -0.00 -0.13 -0.04 1.64 1.32 3hu3A1 LEU 396 HD13 -0.04 0.04 -0.14 -0.04 0.93 0.75 3hu3A1 LEU 396 HD23 -0.37 0.00 -0.13 -0.04 0.89 0.35 3hu3A1 GLU 397 H -0.06 0.13 -0.10 -0.55 8.60 8.02 3hu3A1 GLU 397 HA -0.04 0.10 0.50 -0.75 4.29 4.09 3hu3A1 GLU 397 HB2 -0.03 0.05 0.07 -0.04 2.09 2.14 3hu3A1 GLU 397 HB3 -0.03 -0.01 0.06 -0.04 1.99 1.97 3hu3A1 GLU 397 HG2 -0.02 0.02 -0.16 -0.04 2.34 2.14 3hu3A1 GLU 397 HG3 -0.02 -0.02 -0.17 -0.04 2.34 2.08 3hu3A1 GLN 398 H -0.05 0.10 -0.30 -0.55 8.47 7.67 3hu3A1 GLN 398 HA -0.03 0.07 0.49 -0.75 4.36 4.13 3hu3A1 GLN 398 HB2 -0.03 -0.01 0.06 -0.04 2.15 2.13 3hu3A1 GLN 398 HB3 -0.05 0.11 0.13 -0.04 2.02 2.18 3hu3A1 GLN 398 HG2 -0.02 -0.02 -0.02 -0.04 2.40 2.30 3hu3A1 GLN 398 HG3 -0.03 0.05 -0.32 -0.04 2.39 2.05 3hu3A1 GLN 398 HE21 -0.01 0.02 -0.04 -0.04 6.97 6.90 3hu3A1 GLN 398 HE22 -0.00 0.01 -0.07 -0.04 7.69 7.59 3hu3A1 VAL 399 H -0.11 0.36 -0.11 -0.55 8.24 7.82 3hu3A1 VAL 399 HA -0.08 0.06 0.37 -0.75 4.13 3.73 3hu3A1 VAL 399 HB -0.20 0.09 0.05 -0.04 2.12 2.02 3hu3A1 VAL 399 HG13 -0.10 0.01 -0.12 -0.04 0.97 0.72 3hu3A1 VAL 399 HG23 -0.38 0.06 -0.06 -0.04 0.95 0.54 3hu3A1 ALA 400 H -0.08 0.57 -0.22 -0.55 8.40 8.12 3hu3A1 ALA 400 HA -0.06 0.02 0.31 -0.75 4.34 3.86 3hu3A1 ALA 400 HB3 -0.04 0.04 0.09 -0.04 1.41 1.47 3hu3A1 ASN 401 H -0.04 0.48 -0.17 -0.55 8.53 8.26 3hu3A1 ASN 401 HA -0.00 -0.04 0.39 -0.75 4.76 4.35 3hu3A1 ASN 401 HB2 -0.02 0.09 0.14 -0.04 2.88 3.05 3hu3A1 ASN 401 HB3 -0.01 -0.04 0.07 -0.04 2.79 2.77 3hu3A1 ASN 401 HD21 -0.01 -0.08 -0.07 -0.04 7.03 6.82 3hu3A1 ASN 401 HD22 -0.02 -0.04 -0.06 -0.04 7.74 7.58 3hu3A1 GLU 402 H -0.04 0.38 -0.49 -0.55 8.60 7.89 3hu3A1 GLU 402 HA -0.01 0.11 0.77 -0.75 4.29 4.40 3hu3A1 GLU 402 HB2 -0.04 0.07 0.08 -0.04 2.09 2.17 3hu3A1 GLU 402 HB3 -0.02 -0.02 0.17 -0.04 1.99 2.07 3hu3A1 GLU 402 HG2 -0.01 -0.00 -0.04 -0.04 2.34 2.25 3hu3A1 GLU 402 HG3 -0.02 0.01 -0.09 -0.04 2.34 2.20 3hu3A1 THR 403 H -0.06 0.35 -0.41 -0.55 8.28 7.62 3hu3A1 THR 403 HA -0.35 0.26 0.90 -0.75 4.39 4.45 3hu3A1 THR 403 HB -0.72 -0.12 0.13 -0.04 4.32 3.57 3hu3A1 THR 403 HG23 -0.44 0.00 -0.16 -0.04 1.22 0.59 3hu3A1 HIS 404 H 0.12 0.14 -0.17 -0.55 8.41 7.95 3hu3A1 HIS 404 HA 0.03 -0.00 0.49 -0.75 4.63 4.40 3hu3A1 HIS 404 HB2 0.01 0.01 0.12 -0.04 3.26 3.37 3hu3A1 HIS 404 HB3 0.03 0.05 0.07 -0.04 3.20 3.30 3hu3A1 HIS 404 HD2 0.02 0.28 -0.14 -0.04 6.97 7.09 3hu3A1 HIS 404 HE1 0.01 -0.04 0.10 -0.04 7.75 7.78 3hu3A1 GLY 405 H -0.62 0.11 0.16 -0.55 8.43 7.54 3hu3A1 GLY 405 HA2 -0.18 -0.05 0.34 -0.51 4.01 3.61 3hu3A1 GLY 405 HA3 -0.03 0.32 0.55 -0.51 4.01 4.34 3hu3A1 HIS 406 H 0.17 0.45 -0.42 -0.55 8.41 8.07 3hu3A1 HIS 406 HA -0.04 0.00 0.53 -0.75 4.63 4.37 3hu3A1 HIS 406 HB2 -0.03 0.23 0.11 -0.04 3.26 3.52 3hu3A1 HIS 406 HB3 -0.03 -0.10 -0.11 -0.04 3.20 2.92 3hu3A1 HIS 406 HD2 -0.01 -0.07 -0.26 -0.04 6.97 6.59 3hu3A1 HIS 406 HE1 -0.00 0.25 0.05 -0.04 7.75 8.01 3hu3A1 VAL 407 H -0.03 0.08 0.18 -0.55 8.24 7.92 3hu3A1 VAL 407 HA 0.00 0.29 0.93 -0.75 4.13 4.59 3hu3A1 VAL 407 HB -0.01 -0.03 0.08 -0.04 2.12 2.13 3hu3A1 VAL 407 HG13 -0.03 0.05 -0.08 -0.04 0.97 0.87 3hu3A1 VAL 407 HG23 -0.02 0.00 -0.05 -0.04 0.95 0.84 3hu3A1 GLY 408 H -0.00 0.25 0.18 -0.55 8.43 8.31 3hu3A1 GLY 408 HA2 -0.02 0.04 0.37 -0.51 4.01 3.88 3hu3A1 GLY 408 HA3 -0.01 0.10 0.34 -0.51 4.01 3.94 3hu3A1 ALA 409 H -0.02 0.55 0.02 -0.55 8.40 8.40 3hu3A1 ALA 409 HA -0.05 0.06 0.46 -0.75 4.34 4.06 3hu3A1 ALA 409 HB3 -0.02 -0.01 0.11 -0.04 1.41 1.45 3hu3A1 ASP 410 H -0.02 0.22 -0.18 -0.55 8.40 7.88 3hu3A1 ASP 410 HA -0.01 0.04 0.44 -0.75 4.63 4.34 3hu3A1 ASP 410 HB2 0.03 0.10 0.06 -0.04 2.71 2.86 3hu3A1 ASP 410 HB3 -0.12 0.04 0.03 -0.04 2.70 2.62 3hu3A1 LEU 411 H 0.02 0.44 -0.17 -0.55 8.37 8.11 3hu3A1 LEU 411 HA 0.06 0.07 0.60 -0.75 4.35 4.33 3hu3A1 LEU 411 HB2 -0.06 0.07 0.01 -0.04 1.64 1.62 3hu3A1 LEU 411 HB3 -0.02 -0.03 -0.09 -0.04 1.64 1.47 3hu3A1 LEU 411 HG 0.07 0.06 -0.17 -0.04 1.64 1.55 3hu3A1 LEU 411 HD13 0.00 0.01 -0.15 -0.04 0.93 0.76 3hu3A1 LEU 411 HD23 -0.04 0.01 -0.10 -0.04 0.89 0.73 3hu3A1 ALA 412 H -0.20 0.57 -0.04 -0.55 8.40 8.19 3hu3A1 ALA 412 HA -0.24 0.07 0.50 -0.75 4.34 3.91 3hu3A1 ALA 412 HB3 -0.32 0.02 0.10 -0.04 1.41 1.17 3hu3A1 ALA 413 H -0.03 0.54 -0.13 -0.55 8.40 8.23 3hu3A1 ALA 413 HA 0.01 0.00 0.43 -0.75 4.34 4.03 3hu3A1 ALA 413 HB3 0.01 0.02 0.10 -0.04 1.41 1.50 3hu3A1 LEU 414 H 0.05 0.55 -0.20 -0.55 8.37 8.22 3hu3A1 LEU 414 HA 0.07 0.00 0.40 -0.75 4.35 4.07 3hu3A1 LEU 414 HB2 0.12 0.10 0.12 -0.04 1.64 1.94 3hu3A1 LEU 414 HB3 0.11 0.10 0.14 -0.04 1.64 1.95 3hu3A1 LEU 414 HG 0.23 -0.09 -0.26 -0.04 1.64 1.48 3hu3A1 LEU 414 HD13 0.09 -0.00 -0.15 -0.04 0.93 0.83 3hu3A1 LEU 414 HD23 0.09 0.00 -0.09 -0.04 0.89 0.86 3hu3A1 CYS 415 H 0.10 0.62 -0.16 -0.55 8.50 8.51 3hu3A1 CYS 415 HA 0.12 -0.04 0.49 -0.75 4.58 4.40 3hu3A1 CYS 415 HB2 0.11 0.13 0.13 -0.04 2.97 3.30 3hu3A1 CYS 415 HB3 0.16 -0.00 -0.04 -0.04 2.97 3.05 3hu3A1 SER 416 H 0.04 0.60 -0.14 -0.55 8.46 8.42 3hu3A1 SER 416 HA 0.01 0.02 0.41 -0.75 4.49 4.18 3hu3A1 SER 416 HB2 0.03 0.07 0.13 -0.04 3.95 4.14 3hu3A1 SER 416 HB3 0.02 -0.07 0.04 -0.04 3.93 3.88 3hu3A1 GLU 417 H 0.03 0.58 -0.22 -0.55 8.60 8.45 3hu3A1 GLU 417 HA 0.09 -0.01 0.43 -0.75 4.29 4.04 3hu3A1 GLU 417 HB2 0.08 0.16 0.19 -0.04 2.09 2.48 3hu3A1 GLU 417 HB3 0.24 -0.05 0.03 -0.04 1.99 2.16 3hu3A1 GLU 417 HG2 0.06 0.11 0.04 -0.04 2.34 2.51 3hu3A1 GLU 417 HG3 0.05 -0.03 -0.01 -0.04 2.34 2.32 3hu3A1 ALA 418 H -0.08 0.57 -0.12 -0.55 8.40 8.23 3hu3A1 ALA 418 HA -0.06 0.09 0.40 -0.75 4.34 4.01 3hu3A1 ALA 418 HB3 -0.80 0.01 -0.02 -0.04 1.41 0.55 3hu3A1 ALA 419 H -0.13 0.61 -0.14 -0.55 8.40 8.18 3hu3A1 ALA 419 HA -0.10 -0.04 0.38 -0.75 4.34 3.83 3hu3A1 ALA 419 HB3 -0.04 0.03 0.09 -0.04 1.41 1.45 3hu3A1 LEU 420 H -0.03 0.72 -0.09 -0.55 8.37 8.42 3hu3A1 LEU 420 HA -0.05 -0.01 0.44 -0.75 4.35 3.97 3hu3A1 LEU 420 HB2 0.02 0.07 0.15 -0.04 1.64 1.84 3hu3A1 LEU 420 HB3 -0.01 -0.07 0.05 -0.04 1.64 1.56 3hu3A1 LEU 420 HG -0.00 0.40 0.13 -0.04 1.64 2.13 3hu3A1 LEU 420 HD13 0.03 -0.04 -0.09 -0.04 0.93 0.79 3hu3A1 LEU 420 HD23 -0.01 -0.03 -0.01 -0.04 0.89 0.81 3hu3A1 GLN 421 H -0.11 0.68 -0.14 -0.55 8.47 8.36 3hu3A1 GLN 421 HA -0.41 -0.01 0.59 -0.75 4.36 3.77 3hu3A1 GLN 421 HB2 -0.77 0.03 0.12 -0.04 2.15 1.48 3hu3A1 GLN 421 HB3 -0.23 0.17 0.22 -0.04 2.02 2.14 3hu3A1 GLN 421 HG2 -0.61 -0.02 0.02 -0.04 2.40 1.74 3hu3A1 GLN 421 HG3 -0.44 -0.05 -0.23 -0.04 2.39 1.64 3hu3A1 GLN 421 HE21 -0.86 0.00 -0.02 -0.04 6.97 6.05 3hu3A1 GLN 421 HE22 -0.71 -0.03 -0.04 -0.04 7.69 6.87 3hu3A1 ALA 422 H -0.15 0.60 -0.07 -0.55 8.40 8.24 3hu3A1 ALA 422 HA -0.12 -0.04 0.54 -0.75 4.34 3.97 3hu3A1 ALA 422 HB3 -0.08 0.04 0.12 -0.04 1.41 1.46 3hu3A1 ILE 423 H -0.09 0.44 -0.21 -0.55 8.25 7.84 3hu3A1 ILE 423 HA -0.06 0.04 0.39 -0.75 4.18 3.80 3hu3A1 ILE 423 HB -0.06 0.11 0.15 -0.04 1.89 2.05 3hu3A1 ILE 423 HG12 -0.04 -0.03 -0.03 -0.04 1.49 1.35 3hu3A1 ILE 423 HG13 -0.05 0.06 -0.02 -0.04 1.21 1.16 3hu3A1 ILE 423 HG23 -0.04 -0.02 -0.13 -0.04 0.93 0.70 3hu3A1 ILE 423 HD13 -0.03 -0.01 -0.07 -0.04 0.88 0.73 3hu3A1 ARG 424 H -0.13 0.55 -0.08 -0.55 8.46 8.25 3hu3A1 ARG 424 HA -0.09 -0.01 0.43 -0.75 4.34 3.92 3hu3A1 ARG 424 HB2 -0.16 0.16 0.21 -0.04 1.90 2.06 3hu3A1 ARG 424 HB3 -0.25 0.11 0.17 -0.04 1.80 1.79 3hu3A1 ARG 424 HG2 -0.14 -0.03 -0.01 -0.04 1.67 1.46 3hu3A1 ARG 424 HG3 -0.09 -0.04 0.08 -0.04 1.67 1.58 3hu3A1 ARG 424 HD2 -0.31 0.00 0.01 -0.04 3.22 2.89 3hu3A1 ARG 424 HD3 -0.10 -0.04 0.00 -0.04 3.22 3.04 3hu3A1 LYS 425 H -0.14 0.48 -0.35 -0.55 8.42 7.85 3hu3A1 LYS 425 HA -0.11 0.01 0.45 -0.75 4.32 3.93 3hu3A1 LYS 425 HB2 -0.10 0.27 0.12 -0.04 1.87 2.11 3hu3A1 LYS 425 HB3 -0.08 -0.07 0.07 -0.04 1.79 1.67 3hu3A1 LYS 425 HG2 -0.13 -0.06 0.05 -0.04 1.46 1.28 3hu3A1 LYS 425 HG3 -0.20 0.12 0.05 -0.04 1.46 1.38 3hu3A1 LYS 425 HD2 -0.11 0.02 0.03 -0.04 1.69 1.59 3hu3A1 LYS 425 HD3 -0.08 -0.03 0.03 -0.04 1.68 1.56 3hu3A1 LYS 425 HE2 -0.09 -0.01 -0.02 -0.04 2.99 2.83 3hu3A1 LYS 425 HE3 -0.18 0.03 -0.06 -0.04 2.99 2.74 3hu3A1 LYS 426 H -0.07 0.57 -0.45 -0.55 8.42 7.92 3hu3A1 LYS 426 HA -0.04 0.15 0.88 -0.75 4.32 4.55 3hu3A1 LYS 426 HB2 -0.04 0.15 0.08 -0.04 1.87 2.02 3hu3A1 LYS 426 HB3 -0.03 -0.13 0.14 -0.04 1.79 1.73 3hu3A1 LYS 426 HG2 -0.05 0.07 -0.14 -0.04 1.46 1.30 3hu3A1 LYS 426 HG3 -0.04 0.02 -0.01 -0.04 1.46 1.39 3hu3A1 LYS 426 HD2 -0.03 -0.06 0.01 -0.04 1.69 1.57 3hu3A1 LYS 426 HD3 -0.03 0.01 0.00 -0.04 1.68 1.62 3hu3A1 LYS 426 HE2 -0.03 0.03 -0.05 -0.04 2.99 2.90 3hu3A1 LYS 426 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.86 3hu3A1 MET 427 H -0.06 0.49 -0.19 -0.55 8.47 8.17 3hu3A1 MET 427 HA -0.03 0.02 0.42 -0.75 4.52 4.17 3hu3A1 MET 427 HB2 -0.05 0.19 0.17 -0.04 2.15 2.42 3hu3A1 MET 427 HB3 -0.03 -0.05 0.19 -0.04 2.03 2.10 3hu3A1 MET 427 HG2 -0.06 0.08 0.15 -0.04 2.63 2.76 3hu3A1 MET 427 HG3 -0.04 -0.05 0.08 -0.04 2.56 2.51 3hu3A1 MET 427 HE3 -0.02 -0.00 0.02 -0.04 2.10 2.05 3hu3A1 ASP 428 H -0.03 0.10 -0.81 -0.55 8.40 7.11 3hu3A1 ASP 428 HA -0.02 0.18 0.80 -0.75 4.63 4.83 3hu3A1 ASP 428 HB2 -0.03 0.05 -0.02 -0.04 2.71 2.67 3hu3A1 ASP 428 HB3 -0.02 -0.02 0.12 -0.04 2.70 2.75 3hu3A1 LEU 429 H -0.03 0.47 -0.01 -0.55 8.37 8.26 3hu3A1 LEU 429 HA -0.02 0.12 0.70 -0.75 4.35 4.40 3hu3A1 LEU 429 HB2 -0.02 0.13 0.09 -0.04 1.64 1.79 3hu3A1 LEU 429 HB3 -0.02 -0.11 0.15 -0.04 1.64 1.62 3hu3A1 LEU 429 HG -0.02 -0.01 -0.34 -0.04 1.64 1.23 3hu3A1 LEU 429 HD13 -0.02 -0.01 -0.02 -0.04 0.93 0.84 3hu3A1 LEU 429 HD23 -0.01 0.01 0.06 -0.04 0.89 0.91 3hu3A1 ILE 430 H -0.02 0.12 0.02 -0.55 8.25 7.82 3hu3A1 ILE 430 HA -0.02 0.11 0.94 -0.75 4.18 4.46 3hu3A1 ILE 430 HB -0.02 -0.00 0.02 -0.04 1.89 1.84 3hu3A1 ILE 430 HG12 -0.02 -0.03 -0.07 -0.04 1.49 1.32 3hu3A1 ILE 430 HG13 -0.02 -0.04 -0.32 -0.04 1.21 0.79 3hu3A1 ILE 430 HG23 -0.02 -0.02 -0.21 -0.04 0.93 0.64 3hu3A1 ILE 430 HD13 -0.03 -0.00 -0.18 -0.04 0.88 0.63 3hu3A1 ASP 431 H -0.01 0.24 0.12 -0.55 8.40 8.20 3hu3A1 ASP 431 HA -0.01 0.19 0.76 -0.75 4.63 4.81 3hu3A1 ASP 431 HB2 -0.01 0.09 -0.02 -0.04 2.71 2.73 3hu3A1 ASP 431 HB3 -0.01 -0.07 0.11 -0.04 2.70 2.68 3hu3A1 LEU 432 H -0.01 0.19 0.08 -0.55 8.37 8.08 3hu3A1 LEU 432 HA -0.01 0.10 0.31 -0.75 4.35 4.00 3hu3A1 LEU 432 HB2 -0.01 0.02 0.11 -0.04 1.64 1.72 3hu3A1 LEU 432 HB3 -0.01 -0.04 0.10 -0.04 1.64 1.65 3hu3A1 LEU 432 HG -0.01 0.04 -0.13 -0.04 1.64 1.50 3hu3A1 LEU 432 HD13 -0.01 0.01 0.02 -0.04 0.93 0.91 3hu3A1 LEU 432 HD23 -0.01 -0.00 -0.01 -0.04 0.89 0.83 3hu3A1 GLU 433 H -0.01 -0.05 -0.35 -0.55 8.60 7.64 3hu3A1 GLU 433 HA -0.01 0.13 0.20 -0.75 4.29 3.86 3hu3A1 GLU 433 HB2 -0.01 -0.02 -0.05 -0.04 2.09 1.97 3hu3A1 GLU 433 HB3 -0.01 0.02 0.02 -0.04 1.99 1.98 3hu3A1 GLU 433 HG2 -0.01 -0.12 0.02 -0.04 2.34 2.19 3hu3A1 GLU 433 HG3 -0.01 0.02 -0.00 -0.04 2.34 2.31 3hu3A1 ASP 434 H -0.01 0.10 -0.21 -0.55 8.40 7.72 3hu3A1 ASP 434 HA -0.01 -0.03 0.41 -0.75 4.63 4.24 3hu3A1 ASP 434 HB2 -0.01 0.11 -0.05 -0.04 2.71 2.71 3hu3A1 ASP 434 HB3 -0.01 -0.03 0.15 -0.04 2.70 2.76 3hu3A1 GLU 435 H -0.01 0.07 0.20 -0.55 8.60 8.32 3hu3A1 GLU 435 HA -0.01 0.16 0.54 -0.75 4.29 4.22 3hu3A1 GLU 435 HB2 -0.01 -0.05 0.08 -0.04 2.09 2.07 3hu3A1 GLU 435 HB3 -0.01 0.00 0.05 -0.04 1.99 1.99 3hu3A1 GLU 435 HG2 -0.01 -0.02 0.05 -0.04 2.34 2.32 3hu3A1 GLU 435 HG3 -0.01 0.01 0.06 -0.04 2.34 2.36 3hu3A1 THR 436 H -0.01 0.06 -0.14 -0.55 8.28 7.64 3hu3A1 THR 436 HA -0.01 0.19 0.83 -0.75 4.39 4.64 3hu3A1 THR 436 HB -0.01 0.09 -0.08 -0.04 4.32 4.28 3hu3A1 THR 436 HG23 -0.01 -0.00 -0.16 -0.04 1.22 1.00 3hu3A1 ILE 437 H -0.01 0.17 0.08 -0.55 8.25 7.94 3hu3A1 ILE 437 HA -0.01 0.10 0.73 -0.75 4.18 4.24 3hu3A1 ILE 437 HB -0.01 -0.02 0.04 -0.04 1.89 1.86 3hu3A1 ILE 437 HG12 -0.01 -0.02 -0.02 -0.04 1.49 1.40 3hu3A1 ILE 437 HG13 -0.02 0.03 -0.01 -0.04 1.21 1.17 3hu3A1 ILE 437 HG23 -0.02 0.04 -0.07 -0.04 0.93 0.84 3hu3A1 ILE 437 HD13 -0.02 0.02 -0.06 -0.04 0.88 0.78 3hu3A1 ASP 438 H -0.01 0.21 0.17 -0.55 8.40 8.21 3hu3A1 ASP 438 HA -0.01 0.03 0.44 -0.75 4.63 4.34 3hu3A1 ASP 438 HB2 -0.01 0.13 0.20 -0.04 2.71 2.99 3hu3A1 ASP 438 HB3 -0.01 -0.01 0.16 -0.04 2.70 2.79 3hu3A1 ALA 439 H -0.01 0.16 0.21 -0.55 8.40 8.22 3hu3A1 ALA 439 HA -0.01 0.13 0.35 -0.75 4.34 4.06 3hu3A1 ALA 439 HB3 -0.01 0.03 0.13 -0.04 1.41 1.52 3hu3A1 GLU 440 H -0.01 0.10 -0.11 -0.55 8.60 8.03 3hu3A1 GLU 440 HA -0.01 0.09 0.32 -0.75 4.29 3.94 3hu3A1 GLU 440 HB2 -0.01 0.00 0.07 -0.04 2.09 2.11 3hu3A1 GLU 440 HB3 -0.01 0.00 0.03 -0.04 1.99 1.97 3hu3A1 GLU 440 HG2 -0.01 0.01 0.01 -0.04 2.34 2.31 3hu3A1 GLU 440 HG3 -0.01 0.03 -0.05 -0.04 2.34 2.27 3hu3A1 VAL 441 H -0.01 0.20 -0.45 -0.55 8.24 7.42 3hu3A1 VAL 441 HA -0.02 0.11 0.64 -0.75 4.13 4.11 3hu3A1 VAL 441 HB -0.02 0.12 0.06 -0.04 2.12 2.25 3hu3A1 VAL 441 HG13 -0.02 0.01 -0.09 -0.04 0.97 0.82 3hu3A1 VAL 441 HG23 -0.02 -0.01 -0.00 -0.04 0.95 0.88 3hu3A1 MET 442 H -0.01 0.37 -0.05 -0.55 8.47 8.23 3hu3A1 MET 442 HA -0.02 0.03 0.44 -0.75 4.52 4.23 3hu3A1 MET 442 HB2 -0.01 0.10 0.19 -0.04 2.15 2.38 3hu3A1 MET 442 HB3 -0.01 -0.01 0.01 -0.04 2.03 1.97 3hu3A1 MET 442 HG2 -0.01 0.03 -0.13 -0.04 2.63 2.48 3hu3A1 MET 442 HG3 -0.01 -0.00 -0.07 -0.04 2.56 2.43 3hu3A1 MET 442 HE3 -0.01 0.00 -0.01 -0.04 2.10 2.04 3hu3A1 ASN 443 H -0.01 0.58 -0.03 -0.55 8.53 8.53 3hu3A1 ASN 443 HA -0.01 0.06 0.24 -0.75 4.76 4.30 3hu3A1 ASN 443 HB2 -0.01 -0.04 0.05 -0.04 2.88 2.84 3hu3A1 ASN 443 HB3 -0.01 -0.01 -0.03 -0.04 2.79 2.70 3hu3A1 ASN 443 HD21 -0.01 -0.05 -0.05 -0.04 7.03 6.88 3hu3A1 ASN 443 HD22 -0.01 -0.08 -0.20 -0.04 7.74 7.41 3hu3A1 SER 444 H -0.01 0.24 -0.42 -0.55 8.46 7.72 3hu3A1 SER 444 HA -0.01 0.12 0.57 -0.75 4.49 4.42 3hu3A1 SER 444 HB2 -0.01 -0.09 0.10 -0.04 3.95 3.91 3hu3A1 SER 444 HB3 -0.01 -0.06 0.05 -0.04 3.93 3.87 3hu3A1 LEU 445 H -0.01 0.29 -0.35 -0.55 8.37 7.75 3hu3A1 LEU 445 HA -0.02 -0.05 0.36 -0.75 4.35 3.90 3hu3A1 LEU 445 HB2 -0.01 0.21 0.16 -0.04 1.64 1.95 3hu3A1 LEU 445 HB3 -0.02 -0.07 -0.06 -0.04 1.64 1.45 3hu3A1 LEU 445 HG -0.02 0.19 0.01 -0.04 1.64 1.78 3hu3A1 LEU 445 HD13 -0.02 -0.03 -0.05 -0.04 0.93 0.78 3hu3A1 LEU 445 HD23 -0.03 -0.03 -0.09 -0.04 0.89 0.70 3hu3A1 ALA 446 H -0.01 0.21 0.25 -0.55 8.40 8.30 3hu3A1 ALA 446 HA 0.01 0.23 0.58 -0.75 4.34 4.40 3hu3A1 ALA 446 HB3 0.01 -0.01 -0.17 -0.04 1.41 1.20 3hu3A1 VAL 447 H 0.02 0.76 0.31 -0.55 8.24 8.79 3hu3A1 VAL 447 HA -0.03 0.10 0.83 -0.75 4.13 4.26 3hu3A1 VAL 447 HB 0.09 -0.01 0.10 -0.04 2.12 2.27 3hu3A1 VAL 447 HG13 -0.24 0.03 -0.19 -0.04 0.97 0.52 3hu3A1 VAL 447 HG23 -0.03 0.06 -0.01 -0.04 0.95 0.93 3hu3A1 THR 448 H 0.01 0.15 0.19 -0.55 8.28 8.08 3hu3A1 THR 448 HA 0.09 0.17 0.79 -0.75 4.39 4.68 3hu3A1 THR 448 HB 0.05 -0.09 0.15 -0.04 4.32 4.39 3hu3A1 THR 448 HG23 0.02 0.08 -0.06 -0.04 1.22 1.22 3hu3A1 MET 449 H 0.10 0.17 0.04 -0.55 8.47 8.22 3hu3A1 MET 449 HA 0.23 0.11 0.47 -0.75 4.52 4.58 3hu3A1 MET 449 HB2 0.06 0.10 -0.24 -0.04 2.15 2.03 3hu3A1 MET 449 HB3 0.07 0.01 0.01 -0.04 2.03 2.07 3hu3A1 MET 449 HG2 0.03 0.12 0.03 -0.04 2.63 2.77 3hu3A1 MET 449 HG3 0.07 -0.00 -0.07 -0.04 2.56 2.51 3hu3A1 MET 449 HE3 -0.01 0.03 -0.03 -0.04 2.10 2.06 3hu3A1 ASP 450 H 0.08 0.10 -0.13 -0.55 8.40 7.90 3hu3A1 ASP 450 HA 0.10 0.11 0.47 -0.75 4.63 4.56 3hu3A1 ASP 450 HB2 0.04 -0.05 0.05 -0.04 2.71 2.72 3hu3A1 ASP 450 HB3 0.05 0.10 -0.07 -0.04 2.70 2.73 3hu3A1 ASP 451 H 0.06 0.05 -0.31 -0.55 8.40 7.65 3hu3A1 ASP 451 HA 0.03 0.10 0.45 -0.75 4.63 4.46 3hu3A1 ASP 451 HB2 -0.07 0.14 0.14 -0.04 2.71 2.88 3hu3A1 ASP 451 HB3 -0.13 0.18 0.08 -0.04 2.70 2.78 3hu3A1 PHE 452 H 0.22 0.33 -0.19 -0.55 8.34 8.14 3hu3A1 PHE 452 HA 0.10 0.08 0.57 -0.75 4.62 4.62 3hu3A1 PHE 452 HB2 0.04 0.02 0.16 -0.04 3.15 3.33 3hu3A1 PHE 452 HB3 0.03 0.01 -0.06 -0.04 3.06 3.00 3hu3A1 PHE 452 HD2 0.03 0.02 -0.12 -0.04 7.28 7.17 3hu3A1 PHE 452 HE2 0.03 0.02 -0.13 -0.04 7.38 7.26 3hu3A1 PHE 452 HZ 0.03 0.07 -0.06 -0.04 7.32 7.32 3hu3A1 ARG 453 H 0.21 0.50 -0.07 -0.55 8.46 8.54 3hu3A1 ARG 453 HA 0.11 0.06 0.46 -0.75 4.34 4.22 3hu3A1 ARG 453 HB2 0.13 0.03 0.14 -0.04 1.90 2.15 3hu3A1 ARG 453 HB3 0.08 0.00 -0.01 -0.04 1.80 1.84 3hu3A1 ARG 453 HG2 0.08 -0.01 -0.01 -0.04 1.67 1.69 3hu3A1 ARG 453 HG3 0.10 0.09 -0.07 -0.04 1.67 1.76 3hu3A1 ARG 453 HD2 0.06 0.02 -0.03 -0.04 3.22 3.22 3hu3A1 ARG 453 HD3 0.04 0.02 -0.03 -0.04 3.22 3.21 3hu3A1 TRP 454 H 0.30 0.63 -0.09 -0.55 7.97 8.27 3hu3A1 TRP 454 HA 0.01 0.02 0.46 -0.75 4.62 4.37 3hu3A1 TRP 454 HB2 0.00 -0.01 0.10 -0.04 3.23 3.28 3hu3A1 TRP 454 HB3 -0.02 0.11 0.13 -0.04 3.23 3.41 3hu3A1 TRP 454 HD1 -0.00 -0.02 0.00 -0.04 7.22 7.16 3hu3A1 TRP 454 HE1 -0.00 -0.01 -0.02 -0.04 10.20 10.12 3hu3A1 TRP 454 HE3 -0.04 0.11 -0.24 -0.04 7.59 7.38 3hu3A1 TRP 454 HZ2 -0.01 -0.02 -0.03 -0.04 7.44 7.35 3hu3A1 TRP 454 HZ3 -0.03 0.03 -0.09 -0.04 7.13 6.99 3hu3A1 TRP 454 HH2 -0.02 -0.02 -0.03 -0.04 7.19 7.09 3hu3A1 ALA 455 H 0.27 0.33 -0.36 -0.55 8.40 8.09 3hu3A1 ALA 455 HA -0.26 0.01 0.42 -0.75 4.34 3.76 3hu3A1 ALA 455 HB3 0.14 0.01 0.07 -0.04 1.41 1.59 3hu3A1 LEU 456 H 0.07 0.58 -0.07 -0.55 8.37 8.40 3hu3A1 LEU 456 HA 0.01 0.01 0.46 -0.75 4.35 4.08 3hu3A1 LEU 456 HB2 0.04 0.04 0.18 -0.04 1.64 1.86 3hu3A1 LEU 456 HB3 0.01 0.00 -0.01 -0.04 1.64 1.60 3hu3A1 LEU 456 HG 0.11 0.02 0.04 -0.04 1.64 1.76 3hu3A1 LEU 456 HD13 0.05 -0.05 -0.13 -0.04 0.93 0.76 3hu3A1 LEU 456 HD23 -0.04 0.01 -0.04 -0.04 0.89 0.78 3hu3A1 SER 457 H -0.10 0.47 -0.25 -0.55 8.46 8.04 3hu3A1 SER 457 HA -0.07 0.05 0.40 -0.75 4.49 4.11 3hu3A1 SER 457 HB2 -0.08 -0.09 0.11 -0.04 3.95 3.85 3hu3A1 SER 457 HB3 -0.05 0.02 0.08 -0.04 3.93 3.94 3hu3A1 GLN 458 H -0.25 0.30 -0.73 -0.55 8.47 7.24 3hu3A1 GLN 458 HA -0.31 0.03 0.38 -0.75 4.36 3.70 3hu3A1 GLN 458 HB2 -0.26 0.16 0.13 -0.04 2.15 2.15 3hu3A1 GLN 458 HB3 -0.28 -0.18 0.11 -0.04 2.02 1.63 3hu3A1 GLN 458 HG2 -0.93 0.35 0.20 -0.04 2.40 1.98 3hu3A1 GLN 458 HG3 -0.88 -0.10 0.05 -0.04 2.39 1.42 3hu3A1 GLN 458 HE21 -0.89 -0.10 -0.05 -0.04 6.97 5.89 3hu3A1 GLN 458 HE22 -1.28 0.46 0.01 -0.04 7.69 6.84 3hu3A1 SER 459 H -0.13 0.11 0.17 -0.55 8.46 8.06 3hu3A1 SER 459 HA -0.06 0.09 0.37 -0.75 4.49 4.13 3hu3A1 SER 459 HB2 -0.05 0.03 0.14 -0.04 3.95 4.04 3hu3A1 SER 459 HB3 -0.07 -0.04 0.18 -0.04 3.93 3.97 3hu3A1 ASN 460 H -0.07 0.05 -0.24 -0.55 8.53 7.72 3hu3A1 ASN 460 HA -0.05 0.06 0.34 -0.75 4.76 4.35 3hu3A1 ASN 460 HB2 -0.05 0.03 0.07 -0.04 2.88 2.89 3hu3A1 ASN 460 HB3 -0.05 0.02 -0.04 -0.04 2.79 2.68 3hu3A1 ASN 460 HD21 -0.03 0.00 -0.01 -0.04 7.03 6.96 3hu3A1 ASN 460 HD22 -0.03 0.02 0.01 -0.04 7.74 7.70 3hu3A1 PRO 461 HA 0.02 0.02 0.58 -0.51 4.44 4.55 3hu3A1 PRO 461 HB2 0.06 0.35 0.14 -0.04 2.28 2.78 3hu3A1 PRO 461 HB3 0.29 -0.03 0.11 -0.04 2.02 2.35 3hu3A1 PRO 461 HG2 -0.01 0.42 0.15 -0.04 2.03 2.54 3hu3A1 PRO 461 HG3 0.08 -0.08 0.04 -0.04 2.03 2.03 3hu3A1 PRO 461 HD2 -0.08 0.22 -0.06 -0.04 3.68 3.72 3hu3A1 PRO 461 HD3 -0.05 -0.06 0.07 -0.04 3.65 3.57 3hu3A1 SER 462 H -0.02 0.51 -0.31 -0.55 8.46 8.10 3hu3A1 SER 462 HA 0.03 0.05 0.34 -0.75 4.49 4.16 3hu3A1 SER 462 HB2 -0.03 0.04 0.01 -0.04 3.95 3.93 3hu3A1 SER 462 HB3 -0.01 -0.12 -0.01 -0.04 3.93 3.75 3hu3A1 ALA 463 H -0.02 0.56 0.01 -0.55 8.40 8.40 3hu3A1 ALA 463 HA -0.01 -0.00 0.43 -0.75 4.34 4.00 3hu3A1 ALA 463 HB3 -0.03 -0.00 0.11 -0.04 1.41 1.45 3hu3A1 LEU 464 H -0.01 0.30 -0.77 -0.55 8.37 7.34 3hu3A1 LEU 464 HA -0.04 0.02 0.40 -0.75 4.35 3.97 3hu3A1 LEU 464 HB2 -0.15 0.16 0.08 -0.04 1.64 1.69 3hu3A1 LEU 464 HB3 -0.22 0.22 0.04 -0.04 1.64 1.63 3hu3A1 LEU 464 HG -0.21 0.07 -0.15 -0.04 1.64 1.31 3hu3A1 LEU 464 HD13 -0.11 -0.03 0.02 -0.04 0.93 0.76 3hu3A1 LEU 464 HD23 -0.69 -0.04 -0.05 -0.04 0.89 0.07 3hu3A1 ARG 465 H 0.07 0.30 -0.08 -0.55 8.46 8.19 3hu3A1 ARG 465 HA 0.16 0.42 0.42 -0.75 4.34 4.58 3hu3A1 ARG 465 HB2 0.10 -0.11 -0.05 -0.04 1.90 1.81 3hu3A1 ARG 465 HB3 0.16 0.05 0.05 -0.04 1.80 2.02 3hu3A1 ARG 465 HG2 0.11 0.17 0.16 -0.04 1.67 2.07 3hu3A1 ARG 465 HG3 0.06 0.04 0.11 -0.04 1.67 1.84 3hu3A1 ARG 465 HD2 0.03 -0.06 0.02 -0.04 3.22 3.18 3hu3A1 ARG 465 HD3 0.05 -0.10 -0.01 -0.04 3.22 3.12 3hu3A1 GLU 466 H 0.04 0.22 -0.20 -0.55 8.60 8.11 3hu3A1 GLU 466 HA 0.04 0.01 0.44 -0.75 4.29 4.03 3hu3A1 GLU 466 HB2 0.02 0.17 0.04 -0.04 2.09 2.28 3hu3A1 GLU 466 HB3 0.02 -0.02 -0.14 -0.04 1.99 1.81 3hu3A1 GLU 466 HG2 0.01 -0.05 0.03 -0.04 2.34 2.29 3hu3A1 GLU 466 HG3 0.02 0.00 0.03 -0.04 2.34 2.35 3hu3A1 THR 467 H 0.04 0.26 -0.45 -0.55 8.28 7.58 3hu3A1 THR 467 HA 0.02 -0.03 0.12 -0.75 4.39 3.74 3hu3A1 THR 467 HB -0.00 -0.08 0.10 -0.04 4.32 4.29 3hu3A1 THR 467 HG23 -0.01 -0.01 0.09 -0.04 1.22 1.25 3hu3A1 VAL 468 H 0.14 0.25 -0.47 -0.55 8.24 7.61 3hu3A1 VAL 468 HA 0.07 0.24 1.09 -0.75 4.13 4.77 3hu3A1 VAL 468 HB -0.10 -0.07 0.18 -0.04 2.12 2.09 3hu3A1 VAL 468 HG13 0.01 -0.00 0.06 -0.04 0.97 1.00 3hu3A1 VAL 468 HG23 -0.05 0.03 -0.14 -0.04 0.95 0.75 3hu3A1 VAL 469 H 0.08 0.23 -0.06 -0.55 8.24 7.94 3hu3A1 VAL 469 HA 0.07 0.23 0.83 -0.75 4.13 4.50 3hu3A1 VAL 469 HB 0.01 0.03 0.10 -0.04 2.12 2.22 3hu3A1 VAL 469 HG13 -0.03 -0.01 0.06 -0.04 0.97 0.94 3hu3A1 VAL 469 HG23 -0.07 0.03 -0.04 -0.04 0.95 0.82