============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 8 1.000 6.425 36.698 25.321 -99.200 -91.000 PHE 16 1.000 17.242 25.132 34.561 -99.200 -91.000 TYR 20 0.840 26.240 27.164 29.086 -99.200 -91.000 TYR 41 0.840 20.314 36.179 23.442 -99.200 -91.000 PHE 46 1.000 15.211 41.969 17.307 -99.200 -91.000 PHE 49 1.000 10.718 41.570 13.335 -99.200 -91.000 HIS 50 0.900 14.240 46.946 9.866 -99.200 -91.000 HIS 53 0.900 14.702 45.220 13.187 -99.200 -91.000 PHE 64 1.000 26.057 26.929 14.111 -99.200 -91.000 TYR 68 0.840 14.653 26.412 20.920 -99.200 -91.000 HIS 80 0.900 12.742 54.650 26.444 -99.200 -91.000 PHE 82 1.000 22.935 51.052 29.595 -99.200 -91.000 PHE 85 1.000 10.589 57.921 21.593 -99.200 -91.000 TYR 94 0.840 9.225 42.450 25.605 -99.200 -91.000 HIS 99 0.900 2.530 37.686 16.166 -99.200 -91.000 TYR 102 0.840 13.009 33.560 8.688 -99.200 -91.000 TRP 112 1.040 23.251 48.058 26.131 -99.200 -91.000 TRP6 112 1.020 21.229 48.552 25.017 -99.200 -91.000 PHE 118 1.000 20.210 36.376 28.832 -99.200 -91.000 HIS 122 0.900 17.462 32.486 28.942 -99.200 -91.000 PHE 126 1.000 28.399 28.193 18.309 -99.200 -91.000 HIS 129 0.900 24.583 42.997 16.846 -99.200 -91.000 TYR 134 0.840 25.042 47.840 20.237 -99.200 -91.000 TYR 143 0.840 26.840 41.807 20.636 -99.200 -91.000 HIS 145 0.900 33.731 36.604 28.231 -99.200 -91.000 PHE 152 1.000 29.322 38.393 17.359 -99.200 -91.000 TYR 174 0.840 1.639 59.623 5.710 -99.200 -91.000 TYR 177 0.840 5.680 71.901 12.770 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hl4B1 GLY 40 HA2 -0.01 -0.03 0.16 -0.51 4.01 3.62 3hl4B1 GLY 40 HA3 -0.02 -0.09 0.22 -0.51 4.01 3.61 3hl4B1 LEU 41 H -0.03 0.15 0.14 -0.55 8.37 8.09 3hl4B1 LEU 41 HA -0.02 0.19 0.88 -0.75 4.35 4.65 3hl4B1 LEU 41 HB2 -0.05 -0.00 -0.01 -0.04 1.64 1.54 3hl4B1 LEU 41 HB3 -0.04 -0.02 0.09 -0.04 1.64 1.63 3hl4B1 LEU 41 HG -0.04 -0.12 -0.33 -0.04 1.64 1.11 3hl4B1 LEU 41 HD13 -0.06 0.02 -0.02 -0.04 0.93 0.83 3hl4B1 LEU 41 HD23 -0.02 0.05 0.04 -0.04 0.89 0.92 3hl4B1 ARG 42 H -0.02 0.04 0.20 -0.55 8.46 8.13 3hl4B1 ARG 42 HA -0.02 0.18 0.75 -0.75 4.34 4.50 3hl4B1 ARG 42 HB2 -0.02 0.00 0.03 -0.04 1.90 1.88 3hl4B1 ARG 42 HB3 -0.01 -0.03 -0.04 -0.04 1.80 1.68 3hl4B1 ARG 42 HG2 -0.01 -0.01 -0.05 -0.04 1.67 1.55 3hl4B1 ARG 42 HG3 -0.01 0.04 -0.37 -0.04 1.67 1.29 3hl4B1 ARG 42 HD2 -0.01 0.02 -0.08 -0.04 3.22 3.11 3hl4B1 ARG 42 HD3 -0.01 0.01 -0.06 -0.04 3.22 3.13 3hl4B1 GLN 43 H -0.03 0.04 0.16 -0.55 8.47 8.10 3hl4B1 GLN 43 HA -0.02 0.21 0.99 -0.75 4.36 4.79 3hl4B1 GLN 43 HB2 -0.03 0.01 0.04 -0.04 2.15 2.12 3hl4B1 GLN 43 HB3 -0.04 0.08 0.05 -0.04 2.02 2.08 3hl4B1 GLN 43 HG2 -0.02 -0.10 -0.16 -0.04 2.40 2.08 3hl4B1 GLN 43 HG3 -0.02 -0.01 -0.02 -0.04 2.39 2.30 3hl4B1 GLN 43 HE21 -0.01 -0.04 -0.03 -0.04 6.97 6.86 3hl4B1 GLN 43 HE22 -0.01 -0.08 -0.16 -0.04 7.69 7.39 3hl4B1 PRO 44 HA -0.09 0.18 0.41 -0.51 4.44 4.43 3hl4B1 PRO 44 HB2 -0.24 0.03 -0.15 -0.04 2.28 1.88 3hl4B1 PRO 44 HB3 -0.31 -0.00 -0.03 -0.04 2.02 1.63 3hl4B1 PRO 44 HG2 -0.06 -0.04 0.02 -0.04 2.03 1.91 3hl4B1 PRO 44 HG3 0.06 0.02 0.03 -0.04 2.03 2.09 3hl4B1 PRO 44 HD2 -0.05 0.06 0.13 -0.04 3.68 3.78 3hl4B1 PRO 44 HD3 -0.00 0.12 0.21 -0.04 3.65 3.93 3hl4B1 ALA 45 H -0.21 0.61 0.27 -0.55 8.40 8.52 3hl4B1 ALA 45 HA -0.15 0.15 0.56 -0.75 4.34 4.15 3hl4B1 ALA 45 HB3 -0.21 -0.00 -0.19 -0.04 1.41 0.97 3hl4B1 PRO 46 HA -0.24 -0.01 0.20 -0.51 4.44 3.87 3hl4B1 PRO 46 HB2 -0.02 0.08 -0.03 -0.04 2.28 2.26 3hl4B1 PRO 46 HB3 -0.05 -0.00 0.07 -0.04 2.02 2.00 3hl4B1 PRO 46 HG2 -0.02 -0.01 0.07 -0.04 2.03 2.03 3hl4B1 PRO 46 HG3 -0.00 0.01 0.05 -0.04 2.03 2.05 3hl4B1 PRO 46 HD2 -0.10 0.30 0.24 -0.04 3.68 4.08 3hl4B1 PRO 46 HD3 -0.08 0.13 0.21 -0.04 3.65 3.87 3hl4B1 PHE 47 H -0.23 0.05 0.16 -0.55 8.34 7.78 3hl4B1 PHE 47 HA -0.07 0.28 0.95 -0.75 4.62 5.03 3hl4B1 PHE 47 HB2 -0.04 -0.05 0.15 -0.04 3.15 3.17 3hl4B1 PHE 47 HB3 -0.07 -0.11 0.19 -0.04 3.06 3.03 3hl4B1 PHE 47 HD2 -0.10 0.05 0.03 -0.04 7.28 7.21 3hl4B1 PHE 47 HE2 -0.09 -0.01 -0.06 -0.04 7.38 7.19 3hl4B1 PHE 47 HZ 0.00 -0.04 -0.11 -0.04 7.32 7.14 3hl4B1 SER 48 H 0.16 0.59 0.34 -0.55 8.46 9.01 3hl4B1 SER 48 HA 0.10 0.15 0.31 -0.75 4.49 4.30 3hl4B1 SER 48 HB2 0.09 0.00 0.01 -0.04 3.95 4.02 3hl4B1 SER 48 HB3 0.14 -0.08 0.04 -0.04 3.93 3.99 3hl4B1 ASP 49 H 0.10 -0.02 -0.26 -0.55 8.40 7.68 3hl4B1 ASP 49 HA 0.05 0.13 0.36 -0.75 4.63 4.42 3hl4B1 ASP 49 HB2 0.04 -0.02 -0.09 -0.04 2.71 2.60 3hl4B1 ASP 49 HB3 0.03 0.03 0.05 -0.04 2.70 2.76 3hl4B1 GLU 50 H 0.09 0.38 -0.37 -0.55 8.60 8.15 3hl4B1 GLU 50 HA 0.04 0.06 0.58 -0.75 4.29 4.21 3hl4B1 GLU 50 HB2 0.03 0.11 0.01 -0.04 2.09 2.19 3hl4B1 GLU 50 HB3 0.03 -0.03 0.15 -0.04 1.99 2.10 3hl4B1 GLU 50 HG2 0.10 -0.03 0.01 -0.04 2.34 2.37 3hl4B1 GLU 50 HG3 0.15 -0.09 0.06 -0.04 2.34 2.42 3hl4B1 ILE 51 H 0.03 0.37 -0.55 -0.55 8.25 7.55 3hl4B1 ILE 51 HA 0.00 0.14 0.93 -0.75 4.18 4.49 3hl4B1 ILE 51 HB 0.04 0.07 0.04 -0.04 1.89 2.00 3hl4B1 ILE 51 HG12 0.07 0.03 -0.06 -0.04 1.49 1.49 3hl4B1 ILE 51 HG13 0.03 -0.01 -0.30 -0.04 1.21 0.89 3hl4B1 ILE 51 HG23 -0.01 -0.01 -0.24 -0.04 0.93 0.63 3hl4B1 ILE 51 HD13 0.07 0.03 -0.14 -0.04 0.88 0.80 3hl4B1 GLU 52 H -0.03 0.13 0.11 -0.55 8.60 8.26 3hl4B1 GLU 52 HA -0.07 0.03 0.54 -0.75 4.29 4.04 3hl4B1 GLU 52 HB2 -0.06 -0.03 0.00 -0.04 2.09 1.96 3hl4B1 GLU 52 HB3 -0.03 0.01 0.08 -0.04 1.99 2.00 3hl4B1 GLU 52 HG2 -0.06 0.02 0.07 -0.04 2.34 2.33 3hl4B1 GLU 52 HG3 -0.05 -0.03 -0.01 -0.04 2.34 2.21 3hl4B1 VAL 53 H -0.20 0.15 0.15 -0.55 8.24 7.79 3hl4B1 VAL 53 HA -0.24 0.16 0.80 -0.75 4.13 4.09 3hl4B1 VAL 53 HB -0.38 -0.04 0.10 -0.04 2.12 1.76 3hl4B1 VAL 53 HG13 -0.75 0.01 -0.18 -0.04 0.97 0.01 3hl4B1 VAL 53 HG23 -0.14 0.05 -0.18 -0.04 0.95 0.64 3hl4B1 ASP 54 H -0.22 0.22 0.06 -0.55 8.40 7.92 3hl4B1 ASP 54 HA -0.21 -0.01 0.72 -0.75 4.63 4.38 3hl4B1 ASP 54 HB2 -0.11 0.04 0.09 -0.04 2.71 2.69 3hl4B1 ASP 54 HB3 -0.11 0.09 0.12 -0.04 2.70 2.76 3hl4B1 PHE 55 H -0.18 0.18 0.22 -0.55 8.34 8.02 3hl4B1 PHE 55 HA -0.04 0.37 0.79 -0.75 4.62 4.98 3hl4B1 PHE 55 HB2 -0.04 -0.05 0.04 -0.04 3.15 3.07 3hl4B1 PHE 55 HB3 -0.04 -0.01 0.13 -0.04 3.06 3.10 3hl4B1 PHE 55 HD2 -0.06 0.00 0.04 -0.04 7.28 7.22 3hl4B1 PHE 55 HE2 -0.11 0.09 0.04 -0.04 7.38 7.36 3hl4B1 PHE 55 HZ -0.13 -0.02 0.02 -0.04 7.32 7.15 3hl4B1 SER 56 H 0.03 0.08 -0.08 -0.55 8.46 7.94 3hl4B1 SER 56 HA 0.05 0.10 0.58 -0.75 4.49 4.46 3hl4B1 SER 56 HB2 0.01 -0.06 0.09 -0.04 3.95 3.95 3hl4B1 SER 56 HB3 0.00 0.04 0.02 -0.04 3.93 3.95 3hl4B1 LYS 57 H 0.05 -0.11 -1.15 -0.55 8.42 6.66 3hl4B1 LYS 57 HA 0.01 0.14 0.66 -0.75 4.32 4.38 3hl4B1 LYS 57 HB2 -0.01 0.23 0.10 -0.04 1.87 2.15 3hl4B1 LYS 57 HB3 0.00 0.08 -0.03 -0.04 1.79 1.80 3hl4B1 LYS 57 HG2 -0.02 0.01 -0.08 -0.04 1.46 1.33 3hl4B1 LYS 57 HG3 -0.04 -0.20 -0.21 -0.04 1.46 0.97 3hl4B1 LYS 57 HD2 -0.07 0.09 0.04 -0.04 1.69 1.71 3hl4B1 LYS 57 HD3 -0.03 0.04 0.00 -0.04 1.68 1.65 3hl4B1 LYS 57 HE2 -0.04 -0.02 -0.01 -0.04 2.99 2.88 3hl4B1 LYS 57 HE3 -0.06 -0.11 -0.01 -0.04 2.99 2.77 3hl4B1 PRO 58 HA 0.07 0.02 0.35 -0.51 4.44 4.37 3hl4B1 PRO 58 HB2 0.02 0.02 -0.15 -0.04 2.28 2.12 3hl4B1 PRO 58 HB3 0.03 -0.00 -0.02 -0.04 2.02 1.99 3hl4B1 PRO 58 HG2 0.01 0.01 0.00 -0.04 2.03 2.01 3hl4B1 PRO 58 HG3 0.02 0.02 -0.02 -0.04 2.03 2.01 3hl4B1 PRO 58 HD2 0.02 0.10 0.12 -0.04 3.68 3.87 3hl4B1 PRO 58 HD3 0.02 0.21 -0.04 -0.04 3.65 3.80 3hl4B1 TYR 59 H 0.17 0.06 0.13 -0.55 8.29 8.09 3hl4B1 TYR 59 HA -0.01 0.17 0.54 -0.75 4.56 4.50 3hl4B1 TYR 59 HB2 -0.00 0.05 0.17 -0.04 3.06 3.23 3hl4B1 TYR 59 HB3 -0.01 -0.08 0.22 -0.04 2.98 3.06 3hl4B1 TYR 59 HD2 -0.02 0.01 -0.04 -0.04 7.15 7.07 3hl4B1 TYR 59 HE2 -0.03 0.04 -0.29 -0.04 6.85 6.53 3hl4B1 VAL 60 H 0.05 0.39 0.15 -0.55 8.24 8.27 3hl4B1 VAL 60 HA -0.18 0.09 0.88 -0.75 4.13 4.17 3hl4B1 VAL 60 HB -0.03 0.04 0.07 -0.04 2.12 2.16 3hl4B1 VAL 60 HG13 -0.06 0.00 -0.10 -0.04 0.97 0.77 3hl4B1 VAL 60 HG23 -0.03 -0.01 -0.25 -0.04 0.95 0.62 3hl4B1 ARG 61 H -0.32 0.09 0.04 -0.55 8.46 7.71 3hl4B1 ARG 61 HA -0.17 0.12 0.54 -0.75 4.34 4.09 3hl4B1 ARG 61 HB2 -0.28 -0.09 0.08 -0.04 1.90 1.56 3hl4B1 ARG 61 HB3 -0.28 0.15 0.04 -0.04 1.80 1.67 3hl4B1 ARG 61 HG2 -0.19 0.08 -0.05 -0.04 1.67 1.47 3hl4B1 ARG 61 HG3 -0.71 -0.10 -0.07 -0.04 1.67 0.75 3hl4B1 ARG 61 HD2 -0.30 0.10 0.12 -0.04 3.22 3.10 3hl4B1 ARG 61 HD3 -0.08 0.25 0.12 -0.04 3.22 3.46 3hl4B1 VAL 62 H -0.17 0.13 0.20 -0.55 8.24 7.85 3hl4B1 VAL 62 HA -0.06 0.05 0.74 -0.75 4.13 4.11 3hl4B1 VAL 62 HB -0.05 0.09 0.03 -0.04 2.12 2.15 3hl4B1 VAL 62 HG13 -0.04 0.01 0.00 -0.04 0.97 0.90 3hl4B1 VAL 62 HG23 -0.03 0.02 -0.01 -0.04 0.95 0.89 3hl4B1 THR 63 H -0.01 0.06 0.16 -0.55 8.28 7.94 3hl4B1 THR 63 HA 0.07 0.27 0.71 -0.75 4.39 4.69 3hl4B1 THR 63 HB 0.05 -0.03 0.17 -0.04 4.32 4.47 3hl4B1 THR 63 HG23 -0.00 0.05 0.04 -0.04 1.22 1.26 3hl4B1 MET 64 H 0.21 0.25 0.17 -0.55 8.47 8.55 3hl4B1 MET 64 HA -0.10 0.15 0.40 -0.75 4.52 4.21 3hl4B1 MET 64 HB2 0.08 -0.09 0.17 -0.04 2.15 2.26 3hl4B1 MET 64 HB3 0.03 0.05 -0.00 -0.04 2.03 2.07 3hl4B1 MET 64 HG2 0.25 0.08 0.11 -0.04 2.63 3.04 3hl4B1 MET 64 HG3 0.10 0.02 0.07 -0.04 2.56 2.72 3hl4B1 MET 64 HE3 -0.01 0.02 -0.09 -0.04 2.10 1.97 3hl4B1 GLU 65 H 0.04 0.05 -0.19 -0.55 8.60 7.96 3hl4B1 GLU 65 HA 0.02 0.12 0.27 -0.75 4.29 3.95 3hl4B1 GLU 65 HB2 0.02 -0.08 0.09 -0.04 2.09 2.08 3hl4B1 GLU 65 HB3 0.02 0.07 -0.02 -0.04 1.99 2.02 3hl4B1 GLU 65 HG2 0.02 0.03 0.02 -0.04 2.34 2.37 3hl4B1 GLU 65 HG3 0.02 0.05 0.02 -0.04 2.34 2.39 3hl4B1 GLU 66 H 0.01 -0.00 -0.18 -0.55 8.60 7.88 3hl4B1 GLU 66 HA -0.00 0.09 0.40 -0.75 4.29 4.03 3hl4B1 GLU 66 HB2 -0.02 0.03 0.07 -0.04 2.09 2.14 3hl4B1 GLU 66 HB3 -0.01 0.08 0.05 -0.04 1.99 2.06 3hl4B1 GLU 66 HG2 -0.00 0.05 0.02 -0.04 2.34 2.36 3hl4B1 GLU 66 HG3 0.00 -0.16 0.08 -0.04 2.34 2.22 3hl4B1 ALA 67 H -0.05 0.57 -0.26 -0.55 8.40 8.11 3hl4B1 ALA 67 HA -0.16 0.00 0.27 -0.75 4.34 3.70 3hl4B1 ALA 67 HB3 -0.82 0.01 0.00 -0.04 1.41 0.56 3hl4B1 CYS 68 H 0.01 0.63 -0.08 -0.55 8.50 8.51 3hl4B1 CYS 68 HA 0.23 0.07 0.37 -0.75 4.58 4.49 3hl4B1 CYS 68 HB2 0.06 -0.00 0.10 -0.04 2.97 3.08 3hl4B1 CYS 68 HB3 0.07 -0.04 0.07 -0.04 2.97 3.03 3hl4B1 ARG 69 H 0.02 0.30 -0.30 -0.55 8.46 7.93 3hl4B1 ARG 69 HA 0.03 -0.02 0.53 -0.75 4.34 4.13 3hl4B1 ARG 69 HB2 0.01 0.11 0.12 -0.04 1.90 2.10 3hl4B1 ARG 69 HB3 0.01 0.00 -0.03 -0.04 1.80 1.75 3hl4B1 ARG 69 HG2 0.01 -0.05 0.05 -0.04 1.67 1.65 3hl4B1 ARG 69 HG3 0.01 0.05 0.04 -0.04 1.67 1.73 3hl4B1 ARG 69 HD2 0.01 -0.03 0.01 -0.04 3.22 3.17 3hl4B1 ARG 69 HD3 0.01 -0.09 -0.01 -0.04 3.22 3.09 3hl4B1 GLY 70 H 0.03 0.31 -0.36 -0.55 8.43 7.87 3hl4B1 GLY 70 HA2 0.05 -0.07 0.36 -0.51 4.01 3.84 3hl4B1 GLY 70 HA3 0.03 0.10 0.73 -0.51 4.01 4.37 3hl4B1 THR 71 H 0.03 0.09 0.15 -0.55 8.28 8.00 3hl4B1 THR 71 HA 0.00 0.10 0.78 -0.75 4.39 4.52 3hl4B1 THR 71 HB 0.00 0.10 0.10 -0.04 4.32 4.48 3hl4B1 THR 71 HG23 -0.02 -0.04 -0.04 -0.04 1.22 1.09 3hl4B1 PRO 72 HA 0.01 0.03 0.39 -0.51 4.44 4.36 3hl4B1 PRO 72 HB2 -0.00 -0.08 -0.06 -0.04 2.28 2.10 3hl4B1 PRO 72 HB3 -0.00 0.00 0.09 -0.04 2.02 2.07 3hl4B1 PRO 72 HG2 -0.01 0.05 0.05 -0.04 2.03 2.08 3hl4B1 PRO 72 HG3 -0.00 0.03 0.07 -0.04 2.03 2.09 3hl4B1 PRO 72 HD2 -0.00 0.14 0.20 -0.04 3.68 3.97 3hl4B1 PRO 72 HD3 -0.00 0.17 0.15 -0.04 3.65 3.93 3hl4B1 CYS 73 H 0.01 0.10 0.14 -0.55 8.50 8.20 3hl4B1 CYS 73 HA 0.02 0.14 0.40 -0.75 4.58 4.38 3hl4B1 CYS 73 HB2 0.01 -0.09 0.11 -0.04 2.97 2.95 3hl4B1 CYS 73 HB3 0.01 0.04 -0.04 -0.04 2.97 2.94 3hl4B1 GLU 74 H -0.00 -0.01 -0.30 -0.55 8.60 7.74 3hl4B1 GLU 74 HA -0.01 0.20 0.64 -0.75 4.29 4.37 3hl4B1 GLU 74 HB2 -0.02 0.03 0.13 -0.04 2.09 2.18 3hl4B1 GLU 74 HB3 -0.01 -0.05 0.03 -0.04 1.99 1.91 3hl4B1 GLU 74 HG2 -0.01 -0.09 -0.03 -0.04 2.34 2.17 3hl4B1 GLU 74 HG3 -0.02 0.08 -0.17 -0.04 2.34 2.19 3hl4B1 ARG 75 H -0.00 0.55 -0.61 -0.55 8.46 7.84 3hl4B1 ARG 75 HA -0.03 0.18 0.77 -0.75 4.34 4.50 3hl4B1 ARG 75 HB2 -0.02 -0.03 -0.10 -0.04 1.90 1.70 3hl4B1 ARG 75 HB3 -0.01 -0.09 0.04 -0.04 1.80 1.70 3hl4B1 ARG 75 HG2 -0.02 -0.10 0.02 -0.04 1.67 1.54 3hl4B1 ARG 75 HG3 -0.01 0.00 0.05 -0.04 1.67 1.67 3hl4B1 ARG 75 HD2 -0.02 0.17 -0.02 -0.04 3.22 3.31 3hl4B1 ARG 75 HD3 -0.02 -0.05 0.02 -0.04 3.22 3.13 3hl4B1 PRO 76 HA 0.06 0.09 0.35 -0.51 4.44 4.43 3hl4B1 PRO 76 HB2 0.15 -0.02 -0.33 -0.04 2.28 2.04 3hl4B1 PRO 76 HB3 0.10 0.01 -0.18 -0.04 2.02 1.91 3hl4B1 PRO 76 HG2 -0.08 -0.02 -0.09 -0.04 2.03 1.81 3hl4B1 PRO 76 HG3 0.02 0.02 -0.07 -0.04 2.03 1.97 3hl4B1 PRO 76 HD2 -0.05 0.15 -0.16 -0.04 3.68 3.58 3hl4B1 PRO 76 HD3 -0.00 0.26 -0.26 -0.04 3.65 3.60 3hl4B1 VAL 77 H 0.09 0.69 0.35 -0.55 8.24 8.82 3hl4B1 VAL 77 HA 0.05 0.05 0.70 -0.75 4.13 4.17 3hl4B1 VAL 77 HB 0.17 0.02 0.18 -0.04 2.12 2.44 3hl4B1 VAL 77 HG13 -0.04 -0.03 -0.16 -0.04 0.97 0.71 3hl4B1 VAL 77 HG23 -0.11 0.01 0.10 -0.04 0.95 0.90 3hl4B1 ARG 78 H 0.10 0.14 0.22 -0.55 8.46 8.37 3hl4B1 ARG 78 HA 0.25 0.27 0.70 -0.75 4.34 4.81 3hl4B1 ARG 78 HB2 0.09 -0.04 0.34 -0.04 1.90 2.26 3hl4B1 ARG 78 HB3 0.16 0.02 0.02 -0.04 1.80 1.96 3hl4B1 ARG 78 HG2 0.01 -0.04 -0.09 -0.04 1.67 1.51 3hl4B1 ARG 78 HG3 0.03 0.13 -0.09 -0.04 1.67 1.69 3hl4B1 ARG 78 HD2 -0.13 -0.03 -0.01 -0.04 3.22 3.00 3hl4B1 ARG 78 HD3 -0.01 0.06 0.09 -0.04 3.22 3.32 3hl4B1 VAL 79 H 0.24 0.71 0.46 -0.55 8.24 9.10 3hl4B1 VAL 79 HA 0.29 0.14 0.89 -0.75 4.13 4.69 3hl4B1 VAL 79 HB 0.18 0.03 0.04 -0.04 2.12 2.32 3hl4B1 VAL 79 HG13 0.11 -0.01 -0.23 -0.04 0.97 0.80 3hl4B1 VAL 79 HG23 0.41 0.03 -0.20 -0.04 0.95 1.15 3hl4B1 TYR 80 H 0.30 0.79 0.50 -0.55 8.29 9.33 3hl4B1 TYR 80 HA 0.10 0.37 1.26 -0.75 4.56 5.54 3hl4B1 TYR 80 HB2 0.13 0.04 -0.05 -0.04 3.06 3.14 3hl4B1 TYR 80 HB3 0.15 0.00 0.14 -0.04 2.98 3.24 3hl4B1 TYR 80 HD2 0.13 0.01 -0.16 -0.04 7.15 7.08 3hl4B1 TYR 80 HE2 0.14 -0.04 -0.17 -0.04 6.85 6.73 3hl4B1 ALA 81 H -0.24 0.63 0.37 -0.55 8.40 8.61 3hl4B1 ALA 81 HA -0.06 0.27 1.02 -0.75 4.34 4.82 3hl4B1 ALA 81 HB3 0.00 -0.01 0.02 -0.04 1.41 1.37 3hl4B1 ASP 82 H -0.00 0.21 0.21 -0.55 8.40 8.27 3hl4B1 ASP 82 HA -0.07 0.33 1.13 -0.75 4.63 5.26 3hl4B1 ASP 82 HB2 -0.03 -0.02 0.04 -0.04 2.71 2.66 3hl4B1 ASP 82 HB3 -0.06 -0.04 -0.07 -0.04 2.70 2.50 3hl4B1 GLY 83 H 0.01 0.44 0.29 -0.55 8.43 8.62 3hl4B1 GLY 83 HA2 -0.31 0.02 0.44 -0.51 4.01 3.65 3hl4B1 GLY 83 HA3 -1.07 0.04 0.35 -0.51 4.01 2.82 3hl4B1 ILE 84 H -0.28 0.09 0.18 -0.55 8.25 7.69 3hl4B1 ILE 84 HA 0.05 0.15 0.84 -0.75 4.18 4.47 3hl4B1 ILE 84 HB 0.01 -0.15 0.13 -0.04 1.89 1.83 3hl4B1 ILE 84 HG12 0.06 -0.00 0.07 -0.04 1.49 1.58 3hl4B1 ILE 84 HG13 0.20 0.07 0.00 -0.04 1.21 1.44 3hl4B1 ILE 84 HG23 0.08 0.02 -0.07 -0.04 0.93 0.93 3hl4B1 ILE 84 HD13 0.14 0.01 -0.17 -0.04 0.88 0.81 3hl4B1 PHE 85 H -0.47 0.02 0.11 -0.55 8.34 7.45 3hl4B1 PHE 85 HA -0.83 -0.01 0.26 -0.75 4.62 3.29 3hl4B1 PHE 85 HB2 -0.05 0.23 -0.12 -0.04 3.15 3.17 3hl4B1 PHE 85 HB3 0.05 -0.03 0.11 -0.04 3.06 3.14 3hl4B1 PHE 85 HD2 -0.22 -0.01 -0.27 -0.04 7.28 6.74 3hl4B1 PHE 85 HE2 0.01 0.16 -0.13 -0.04 7.38 7.38 3hl4B1 PHE 85 HZ -0.02 0.13 -0.30 -0.04 7.32 7.09 3hl4B1 ASP 86 H 0.07 -0.01 -0.15 -0.55 8.40 7.76 3hl4B1 ASP 86 HA 0.09 0.11 0.52 -0.75 4.63 4.59 3hl4B1 ASP 86 HB2 0.07 0.08 0.03 -0.04 2.71 2.85 3hl4B1 ASP 86 HB3 0.12 -0.01 0.09 -0.04 2.70 2.85 3hl4B1 LEU 87 H 0.12 0.09 0.17 -0.55 8.37 8.20 3hl4B1 LEU 87 HA 0.15 0.07 0.30 -0.75 4.35 4.12 3hl4B1 LEU 87 HB2 0.22 0.06 0.14 -0.04 1.64 2.02 3hl4B1 LEU 87 HB3 0.17 0.06 0.15 -0.04 1.64 1.98 3hl4B1 LEU 87 HG 0.11 -0.18 -0.14 -0.04 1.64 1.39 3hl4B1 LEU 87 HD13 0.11 0.01 -0.00 -0.04 0.93 1.00 3hl4B1 LEU 87 HD23 0.09 0.03 0.01 -0.04 0.89 0.97 3hl4B1 PHE 88 H 0.29 0.14 -0.15 -0.55 8.34 8.07 3hl4B1 PHE 88 HA 0.18 -0.12 0.11 -0.75 4.62 4.03 3hl4B1 PHE 88 HB2 0.02 0.15 0.09 -0.04 3.15 3.36 3hl4B1 PHE 88 HB3 0.06 -0.01 0.05 -0.04 3.06 3.12 3hl4B1 PHE 88 HD2 -0.03 -0.03 -0.12 -0.04 7.28 7.06 3hl4B1 PHE 88 HE2 -0.14 0.02 -0.14 -0.04 7.38 7.08 3hl4B1 PHE 88 HZ -0.04 0.01 -0.12 -0.04 7.32 7.13 3hl4B1 HIS 89 H -0.28 -0.02 0.19 -0.55 8.41 7.76 3hl4B1 HIS 89 HA -0.05 0.30 0.83 -0.75 4.63 4.95 3hl4B1 HIS 89 HB2 -0.07 -0.10 0.12 -0.04 3.26 3.17 3hl4B1 HIS 89 HB3 -0.00 0.26 -0.05 -0.04 3.20 3.36 3hl4B1 HIS 89 HD2 -0.00 0.23 -0.12 -0.04 6.97 7.04 3hl4B1 HIS 89 HE1 -0.46 0.11 -0.08 -0.04 7.75 7.27 3hl4B1 SER 90 H 0.07 0.25 0.14 -0.55 8.46 8.37 3hl4B1 SER 90 HA -0.05 0.11 0.24 -0.75 4.49 4.04 3hl4B1 SER 90 HB2 0.00 0.01 0.04 -0.04 3.95 3.96 3hl4B1 SER 90 HB3 0.01 0.06 -0.07 -0.04 3.93 3.89 3hl4B1 GLY 91 H 0.27 0.08 -0.18 -0.55 8.43 8.05 3hl4B1 GLY 91 HA2 -0.00 0.13 0.61 -0.51 4.01 4.23 3hl4B1 GLY 91 HA3 0.07 0.08 0.27 -0.51 4.01 3.93 3hl4B1 HIS 92 H -0.44 0.11 -0.18 -0.55 8.41 7.35 3hl4B1 HIS 92 HA -0.02 0.05 0.39 -0.75 4.63 4.30 3hl4B1 HIS 92 HB2 -0.89 0.26 0.20 -0.04 3.26 2.79 3hl4B1 HIS 92 HB3 0.03 0.07 -0.03 -0.04 3.20 3.22 3hl4B1 HIS 92 HD2 -0.14 0.07 0.02 -0.04 6.97 6.88 3hl4B1 HIS 92 HE1 -0.15 0.35 -0.22 -0.04 7.75 7.69 3hl4B1 ALA 93 H -0.23 0.35 -0.08 -0.55 8.40 7.89 3hl4B1 ALA 93 HA 0.16 0.06 0.23 -0.75 4.34 4.03 3hl4B1 ALA 93 HB3 0.07 0.02 0.00 -0.04 1.41 1.46 3hl4B1 ARG 94 H -0.01 0.55 -0.21 -0.55 8.46 8.24 3hl4B1 ARG 94 HA -0.09 0.07 0.60 -0.75 4.34 4.17 3hl4B1 ARG 94 HB2 -0.03 0.03 0.19 -0.04 1.90 2.06 3hl4B1 ARG 94 HB3 -0.05 0.01 0.03 -0.04 1.80 1.74 3hl4B1 ARG 94 HG2 -0.04 0.02 0.03 -0.04 1.67 1.64 3hl4B1 ARG 94 HG3 0.00 -0.02 0.03 -0.04 1.67 1.64 3hl4B1 ARG 94 HD2 -0.02 -0.05 -0.06 -0.04 3.22 3.05 3hl4B1 ARG 94 HD3 -0.03 0.00 -0.01 -0.04 3.22 3.14 3hl4B1 ALA 95 H 0.00 0.44 -0.20 -0.55 8.40 8.10 3hl4B1 ALA 95 HA -0.05 0.05 0.52 -0.75 4.34 4.10 3hl4B1 ALA 95 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 3hl4B1 LEU 96 H 0.07 0.42 -0.14 -0.55 8.37 8.17 3hl4B1 LEU 96 HA 0.02 0.04 0.33 -0.75 4.35 3.99 3hl4B1 LEU 96 HB2 0.22 0.04 0.04 -0.04 1.64 1.90 3hl4B1 LEU 96 HB3 0.10 0.02 -0.10 -0.04 1.64 1.62 3hl4B1 LEU 96 HG 0.20 0.19 0.04 -0.04 1.64 2.03 3hl4B1 LEU 96 HD13 0.05 -0.02 -0.11 -0.04 0.93 0.81 3hl4B1 LEU 96 HD23 0.10 -0.00 -0.13 -0.04 0.89 0.81 3hl4B1 MET 97 H -0.16 0.56 -0.12 -0.55 8.47 8.21 3hl4B1 MET 97 HA -0.75 0.06 0.50 -0.75 4.52 3.57 3hl4B1 MET 97 HB2 -1.45 -0.03 0.10 -0.04 2.15 0.73 3hl4B1 MET 97 HB3 -0.39 0.03 0.16 -0.04 2.03 1.79 3hl4B1 MET 97 HG2 -0.34 0.04 -0.35 -0.04 2.63 1.94 3hl4B1 MET 97 HG3 -0.71 0.02 -0.03 -0.04 2.56 1.79 3hl4B1 MET 97 HE3 -0.11 0.01 -0.06 -0.04 2.10 1.91 3hl4B1 GLN 98 H -0.17 0.48 -0.22 -0.55 8.47 8.02 3hl4B1 GLN 98 HA -0.15 0.05 0.45 -0.75 4.36 3.95 3hl4B1 GLN 98 HB2 -0.11 0.08 0.13 -0.04 2.15 2.21 3hl4B1 GLN 98 HB3 -0.13 -0.01 -0.07 -0.04 2.02 1.78 3hl4B1 GLN 98 HG2 -0.11 -0.02 0.03 -0.04 2.40 2.26 3hl4B1 GLN 98 HG3 -0.12 0.15 0.10 -0.04 2.39 2.48 3hl4B1 GLN 98 HE21 -0.06 0.46 0.05 -0.04 6.97 7.37 3hl4B1 GLN 98 HE22 -0.07 0.08 -0.30 -0.04 7.69 7.35 3hl4B1 ALA 99 H -0.10 0.49 -0.13 -0.55 8.40 8.11 3hl4B1 ALA 99 HA -0.12 0.03 0.35 -0.75 4.34 3.85 3hl4B1 ALA 99 HB3 -0.03 -0.01 -0.02 -0.04 1.41 1.31 3hl4B1 LYS 100 H -0.07 0.53 -0.23 -0.55 8.42 8.10 3hl4B1 LYS 100 HA 0.01 -0.01 0.38 -0.75 4.32 3.95 3hl4B1 LYS 100 HB2 0.03 0.00 0.12 -0.04 1.87 1.98 3hl4B1 LYS 100 HB3 -0.06 0.11 0.14 -0.04 1.79 1.94 3hl4B1 LYS 100 HG2 0.13 -0.06 0.07 -0.04 1.46 1.56 3hl4B1 LYS 100 HG3 0.04 -0.01 -0.07 -0.04 1.46 1.37 3hl4B1 LYS 100 HD2 0.04 -0.05 0.06 -0.04 1.69 1.69 3hl4B1 LYS 100 HD3 0.02 0.02 0.08 -0.04 1.68 1.76 3hl4B1 LYS 100 HE2 0.05 -0.06 0.05 -0.04 2.99 2.99 3hl4B1 LYS 100 HE3 0.04 0.26 0.11 -0.04 2.99 3.36 3hl4B1 ASN 101 H -0.12 0.27 -0.49 -0.55 8.53 7.64 3hl4B1 ASN 101 HA -0.07 0.21 0.76 -0.75 4.76 4.91 3hl4B1 ASN 101 HB2 -0.14 0.04 0.09 -0.04 2.88 2.83 3hl4B1 ASN 101 HB3 -0.11 -0.08 0.06 -0.04 2.79 2.63 3hl4B1 ASN 101 HD21 -0.10 -0.11 -0.07 -0.04 7.03 6.72 3hl4B1 ASN 101 HD22 -0.19 0.52 0.02 -0.04 7.74 8.05 3hl4B1 LEU 102 H -0.23 0.29 -0.41 -0.55 8.37 7.48 3hl4B1 LEU 102 HA -0.44 -0.01 0.32 -0.75 4.35 3.47 3hl4B1 LEU 102 HB2 -0.71 0.06 0.04 -0.04 1.64 0.99 3hl4B1 LEU 102 HB3 -1.51 -0.09 -0.04 -0.04 1.64 -0.04 3hl4B1 LEU 102 HG -0.27 0.19 0.06 -0.04 1.64 1.57 3hl4B1 LEU 102 HD13 -0.18 0.01 -0.04 -0.04 0.93 0.67 3hl4B1 LEU 102 HD23 -0.33 -0.03 -0.10 -0.04 0.89 0.39 3hl4B1 PHE 103 H -0.15 0.26 -0.29 -0.55 8.34 7.61 3hl4B1 PHE 103 HA -0.03 0.19 0.70 -0.75 4.62 4.72 3hl4B1 PHE 103 HB2 0.02 -0.03 -0.20 -0.04 3.15 2.90 3hl4B1 PHE 103 HB3 0.00 0.21 -0.06 -0.04 3.06 3.17 3hl4B1 PHE 103 HD2 -0.03 0.07 -0.23 -0.04 7.28 7.05 3hl4B1 PHE 103 HE2 -0.21 -0.03 -0.12 -0.04 7.38 6.97 3hl4B1 PHE 103 HZ -1.03 -0.02 -0.13 -0.04 7.32 6.09 3hl4B1 PRO 104 HA 0.05 0.09 0.29 -0.51 4.44 4.37 3hl4B1 PRO 104 HB2 0.06 -0.01 -0.03 -0.04 2.28 2.26 3hl4B1 PRO 104 HB3 0.04 -0.02 0.06 -0.04 2.02 2.06 3hl4B1 PRO 104 HG2 0.06 0.14 -0.09 -0.04 2.03 2.10 3hl4B1 PRO 104 HG3 0.05 -0.00 0.05 -0.04 2.03 2.08 3hl4B1 PRO 104 HD2 0.17 0.27 0.20 -0.04 3.68 4.28 3hl4B1 PRO 104 HD3 0.15 0.14 0.21 -0.04 3.65 4.11 3hl4B1 ASN 105 H 0.13 0.16 -0.28 -0.55 8.53 7.99 3hl4B1 ASN 105 HA 0.08 0.16 0.77 -0.75 4.76 5.01 3hl4B1 ASN 105 HB2 0.05 0.03 -0.06 -0.04 2.88 2.87 3hl4B1 ASN 105 HB3 0.06 -0.14 0.20 -0.04 2.79 2.88 3hl4B1 ASN 105 HD21 0.03 0.07 -0.22 -0.04 7.03 6.86 3hl4B1 ASN 105 HD22 0.03 0.21 -0.42 -0.04 7.74 7.53 3hl4B1 THR 106 H 0.11 0.31 0.07 -0.55 8.28 8.22 3hl4B1 THR 106 HA 0.20 0.19 0.98 -0.75 4.39 5.02 3hl4B1 THR 106 HB 0.10 0.18 0.15 -0.04 4.32 4.71 3hl4B1 THR 106 HG23 0.16 0.00 -0.09 -0.04 1.22 1.25 3hl4B1 TYR 107 H 0.25 0.77 0.25 -0.55 8.29 9.01 3hl4B1 TYR 107 HA 0.05 0.12 0.80 -0.75 4.56 4.78 3hl4B1 TYR 107 HB2 0.04 0.03 -0.12 -0.04 3.06 2.97 3hl4B1 TYR 107 HB3 0.06 -0.01 -0.02 -0.04 2.98 2.97 3hl4B1 TYR 107 HD2 0.03 -0.02 -0.14 -0.04 7.15 6.98 3hl4B1 TYR 107 HE2 0.01 -0.03 -0.12 -0.04 6.85 6.67 3hl4B1 LEU 108 H -0.22 0.21 0.17 -0.55 8.37 7.98 3hl4B1 LEU 108 HA 0.06 0.27 0.93 -0.75 4.35 4.85 3hl4B1 LEU 108 HB2 0.00 0.06 -0.04 -0.04 1.64 1.62 3hl4B1 LEU 108 HB3 -0.07 0.06 0.23 -0.04 1.64 1.82 3hl4B1 LEU 108 HG -0.05 -0.09 -0.42 -0.04 1.64 1.05 3hl4B1 LEU 108 HD13 0.02 0.03 -0.15 -0.04 0.93 0.78 3hl4B1 LEU 108 HD23 0.01 -0.01 -0.19 -0.04 0.89 0.66 3hl4B1 ILE 109 H 0.10 0.81 0.44 -0.55 8.25 9.05 3hl4B1 ILE 109 HA -0.02 0.17 0.84 -0.75 4.18 4.42 3hl4B1 ILE 109 HB 0.29 0.01 0.08 -0.04 1.89 2.23 3hl4B1 ILE 109 HG12 0.30 -0.01 -0.18 -0.04 1.49 1.56 3hl4B1 ILE 109 HG13 0.28 -0.04 -0.35 -0.04 1.21 1.07 3hl4B1 ILE 109 HG23 0.17 -0.04 -0.28 -0.04 0.93 0.73 3hl4B1 ILE 109 HD13 0.23 0.01 -0.16 -0.04 0.88 0.92 3hl4B1 VAL 110 H -0.05 0.72 0.37 -0.55 8.24 8.73 3hl4B1 VAL 110 HA -0.19 0.30 1.18 -0.75 4.13 4.67 3hl4B1 VAL 110 HB -0.17 -0.00 0.15 -0.04 2.12 2.05 3hl4B1 VAL 110 HG13 -0.28 -0.00 -0.17 -0.04 0.97 0.48 3hl4B1 VAL 110 HG23 -0.12 -0.00 -0.17 -0.04 0.95 0.62 3hl4B1 GLY 111 H -0.36 0.48 0.23 -0.55 8.43 8.24 3hl4B1 GLY 111 HA2 0.15 0.21 0.87 -0.51 4.01 4.73 3hl4B1 GLY 111 HA3 0.21 -0.04 0.28 -0.51 4.01 3.94 3hl4B1 VAL 112 H 0.16 0.54 0.31 -0.55 8.24 8.70 3hl4B1 VAL 112 HA 0.30 0.35 1.05 -0.75 4.13 5.08 3hl4B1 VAL 112 HB 0.42 -0.11 0.10 -0.04 2.12 2.49 3hl4B1 VAL 112 HG13 0.29 0.02 -0.19 -0.04 0.97 1.06 3hl4B1 VAL 112 HG23 0.14 0.03 -0.26 -0.04 0.95 0.82 3hl4B1 CYS 113 H 0.17 0.41 0.30 -0.55 8.50 8.82 3hl4B1 CYS 113 HA 0.20 0.13 0.35 -0.75 4.58 4.51 3hl4B1 CYS 113 HB2 0.26 -0.06 0.03 -0.04 2.97 3.16 3hl4B1 CYS 113 HB3 0.38 -0.06 -0.02 -0.04 2.97 3.24 3hl4B1 SER 114 H 0.17 0.16 0.17 -0.55 8.46 8.42 3hl4B1 SER 114 HA 0.08 0.08 0.44 -0.75 4.49 4.34 3hl4B1 SER 114 HB2 0.04 -0.04 0.18 -0.04 3.95 4.09 3hl4B1 SER 114 HB3 0.12 0.11 0.20 -0.04 3.93 4.32 3hl4B1 ASP 115 H -0.11 0.09 0.22 -0.55 8.40 8.06 3hl4B1 ASP 115 HA -0.33 0.16 0.56 -0.75 4.63 4.27 3hl4B1 ASP 115 HB2 -0.16 -0.01 0.18 -0.04 2.71 2.67 3hl4B1 ASP 115 HB3 -0.50 0.10 0.07 -0.04 2.70 2.32 3hl4B1 GLU 116 H -0.11 0.07 -0.06 -0.55 8.60 7.95 3hl4B1 GLU 116 HA -0.12 0.12 0.37 -0.75 4.29 3.90 3hl4B1 GLU 116 HB2 -0.05 0.01 0.12 -0.04 2.09 2.12 3hl4B1 GLU 116 HB3 -0.05 -0.05 0.11 -0.04 1.99 1.95 3hl4B1 GLU 116 HG2 -0.11 0.03 -0.12 -0.04 2.34 2.10 3hl4B1 GLU 116 HG3 -0.05 0.04 0.02 -0.04 2.34 2.30 3hl4B1 LEU 117 H -0.05 0.04 -0.17 -0.55 8.37 7.64 3hl4B1 LEU 117 HA -0.29 0.10 0.40 -0.75 4.35 3.80 3hl4B1 LEU 117 HB2 0.11 -0.09 0.08 -0.04 1.64 1.70 3hl4B1 LEU 117 HB3 0.25 0.07 -0.11 -0.04 1.64 1.81 3hl4B1 LEU 117 HG 0.28 0.02 0.01 -0.04 1.64 1.91 3hl4B1 LEU 117 HD13 0.02 0.00 -0.01 -0.04 0.93 0.90 3hl4B1 LEU 117 HD23 0.29 0.01 -0.02 -0.04 0.89 1.14 3hl4B1 THR 118 H -0.03 0.41 -0.24 -0.55 8.28 7.87 3hl4B1 THR 118 HA 0.09 0.00 0.28 -0.75 4.39 4.01 3hl4B1 THR 118 HB -0.09 0.05 0.11 -0.04 4.32 4.35 3hl4B1 THR 118 HG23 0.21 0.02 -0.12 -0.04 1.22 1.28 3hl4B1 HIS 119 H -0.22 0.62 -0.05 -0.55 8.41 8.22 3hl4B1 HIS 119 HA -0.00 0.17 0.44 -0.75 4.63 4.49 3hl4B1 HIS 119 HB2 -0.06 0.04 0.12 -0.04 3.26 3.32 3hl4B1 HIS 119 HB3 -0.01 -0.03 0.00 -0.04 3.20 3.11 3hl4B1 HIS 119 HD2 0.00 0.34 0.05 -0.04 6.97 7.32 3hl4B1 HIS 119 HE1 -0.02 -0.03 0.01 -0.04 7.75 7.66 3hl4B1 ASN 120 H -0.22 0.57 -0.12 -0.55 8.53 8.21 3hl4B1 ASN 120 HA -0.23 0.03 0.45 -0.75 4.76 4.25 3hl4B1 ASN 120 HB2 -0.78 0.04 0.16 -0.04 2.88 2.26 3hl4B1 ASN 120 HB3 -0.98 -0.04 -0.04 -0.04 2.79 1.68 3hl4B1 ASN 120 HD21 -0.19 -0.06 -0.05 -0.04 7.03 6.68 3hl4B1 ASN 120 HD22 -0.40 -0.05 -0.08 -0.04 7.74 7.18 3hl4B1 PHE 121 H -0.46 0.40 -0.12 -0.55 8.34 7.61 3hl4B1 PHE 121 HA -0.26 0.21 0.97 -0.75 4.62 4.78 3hl4B1 PHE 121 HB2 -2.01 0.02 0.01 -0.04 3.15 1.13 3hl4B1 PHE 121 HB3 -0.81 -0.06 0.02 -0.04 3.06 2.17 3hl4B1 PHE 121 HD2 -0.86 0.02 -0.03 -0.04 7.28 6.36 3hl4B1 PHE 121 HE2 -0.17 -0.03 -0.03 -0.04 7.38 7.10 3hl4B1 PHE 121 HZ -0.12 -0.02 -0.04 -0.04 7.32 7.10 3hl4B1 LYS 122 H -0.02 0.64 0.15 -0.55 8.42 8.64 3hl4B1 LYS 122 HA 0.22 0.18 1.00 -0.75 4.32 4.97 3hl4B1 LYS 122 HB2 0.70 -0.05 -0.05 -0.04 1.87 2.42 3hl4B1 LYS 122 HB3 0.35 0.02 0.14 -0.04 1.79 2.25 3hl4B1 LYS 122 HG2 0.22 -0.01 -0.23 -0.04 1.46 1.40 3hl4B1 LYS 122 HG3 0.26 0.02 0.03 -0.04 1.46 1.73 3hl4B1 LYS 122 HD2 0.44 0.00 -0.03 -0.04 1.69 2.07 3hl4B1 LYS 122 HD3 0.29 -0.05 -0.04 -0.04 1.68 1.83 3hl4B1 LYS 122 HE2 0.17 -0.01 -0.02 -0.04 2.99 3.09 3hl4B1 LYS 122 HE3 0.20 0.06 -0.00 -0.04 2.99 3.21 3hl4B1 GLY 123 H 0.14 0.58 0.24 -0.55 8.43 8.84 3hl4B1 GLY 123 HA2 0.11 0.08 0.36 -0.51 4.01 4.05 3hl4B1 GLY 123 HA3 0.14 0.06 0.51 -0.51 4.01 4.22 3hl4B1 PHE 124 H 0.25 0.11 0.11 -0.55 8.34 8.26 3hl4B1 PHE 124 HA -0.03 0.08 0.36 -0.75 4.62 4.27 3hl4B1 PHE 124 HB2 -0.04 0.03 0.08 -0.04 3.15 3.18 3hl4B1 PHE 124 HB3 0.02 -0.03 0.05 -0.04 3.06 3.06 3hl4B1 PHE 124 HD2 -0.13 -0.04 -0.09 -0.04 7.28 6.98 3hl4B1 PHE 124 HE2 -0.04 -0.04 -0.05 -0.04 7.38 7.21 3hl4B1 PHE 124 HZ -0.00 -0.01 0.01 -0.04 7.32 7.28 3hl4B1 THR 125 H -0.58 0.19 0.16 -0.55 8.28 7.49 3hl4B1 THR 125 HA -0.15 0.13 0.84 -0.75 4.39 4.46 3hl4B1 THR 125 HB -0.11 0.10 0.02 -0.04 4.32 4.29 3hl4B1 THR 125 HG23 0.01 0.01 -0.09 -0.04 1.22 1.10 3hl4B1 VAL 126 H -0.09 0.07 0.07 -0.55 8.24 7.74 3hl4B1 VAL 126 HA -0.08 0.17 0.61 -0.75 4.13 4.07 3hl4B1 VAL 126 HB 0.04 -0.12 0.09 -0.04 2.12 2.09 3hl4B1 VAL 126 HG13 0.07 0.02 -0.11 -0.04 0.97 0.91 3hl4B1 VAL 126 HG23 0.13 0.02 -0.03 -0.04 0.95 1.03 3hl4B1 MET 127 H -0.03 -0.04 0.07 -0.55 8.47 7.92 3hl4B1 MET 127 HA -0.02 0.17 0.78 -0.75 4.52 4.70 3hl4B1 MET 127 HB2 0.00 -0.01 0.08 -0.04 2.15 2.18 3hl4B1 MET 127 HB3 -0.00 0.04 0.04 -0.04 2.03 2.06 3hl4B1 MET 127 HG2 0.05 -0.21 0.12 -0.04 2.63 2.55 3hl4B1 MET 127 HG3 0.06 0.07 0.06 -0.04 2.56 2.71 3hl4B1 MET 127 HE3 0.03 0.01 0.01 -0.04 2.10 2.12 3hl4B1 ASN 128 H -0.04 0.12 0.14 -0.55 8.53 8.21 3hl4B1 ASN 128 HA -0.09 0.20 0.56 -0.75 4.76 4.68 3hl4B1 ASN 128 HB2 -0.06 -0.08 0.21 -0.04 2.88 2.91 3hl4B1 ASN 128 HB3 -0.03 0.16 0.12 -0.04 2.79 3.00 3hl4B1 ASN 128 HD21 -0.01 0.06 0.04 -0.04 7.03 7.08 3hl4B1 ASN 128 HD22 -0.01 0.11 0.07 -0.04 7.74 7.87 3hl4B1 GLU 129 H -0.16 0.14 0.22 -0.55 8.60 8.26 3hl4B1 GLU 129 HA -0.37 0.21 0.19 -0.75 4.29 3.56 3hl4B1 GLU 129 HB2 -0.58 0.11 0.11 -0.04 2.09 1.68 3hl4B1 GLU 129 HB3 -0.21 -0.15 0.24 -0.04 1.99 1.83 3hl4B1 GLU 129 HG2 -0.14 -0.05 0.22 -0.04 2.34 2.33 3hl4B1 GLU 129 HG3 -0.20 0.11 0.00 -0.04 2.34 2.21 3hl4B1 ASN 130 H -0.19 0.07 -0.03 -0.55 8.53 7.82 3hl4B1 ASN 130 HA -0.10 0.14 0.62 -0.75 4.76 4.67 3hl4B1 ASN 130 HB2 -0.03 -0.04 0.08 -0.04 2.88 2.85 3hl4B1 ASN 130 HB3 0.03 0.11 0.02 -0.04 2.79 2.91 3hl4B1 ASN 130 HD21 0.01 0.04 0.03 -0.04 7.03 7.08 3hl4B1 ASN 130 HD22 -0.00 0.02 0.04 -0.04 7.74 7.76 3hl4B1 GLU 131 H -0.09 0.06 -0.28 -0.55 8.60 7.75 3hl4B1 GLU 131 HA 0.01 0.13 0.43 -0.75 4.29 4.10 3hl4B1 GLU 131 HB2 -0.04 0.05 0.11 -0.04 2.09 2.17 3hl4B1 GLU 131 HB3 0.00 0.04 0.04 -0.04 1.99 2.03 3hl4B1 GLU 131 HG2 0.01 0.10 0.04 -0.04 2.34 2.44 3hl4B1 GLU 131 HG3 -0.01 -0.09 0.02 -0.04 2.34 2.22 3hl4B1 ARG 132 H -0.14 0.37 -0.21 -0.55 8.46 7.92 3hl4B1 ARG 132 HA -0.01 0.03 0.41 -0.75 4.34 4.01 3hl4B1 ARG 132 HB2 -0.16 0.00 0.05 -0.04 1.90 1.75 3hl4B1 ARG 132 HB3 0.04 0.14 -0.03 -0.04 1.80 1.91 3hl4B1 ARG 132 HG2 0.03 -0.06 -0.06 -0.04 1.67 1.54 3hl4B1 ARG 132 HG3 -0.06 0.06 -0.16 -0.04 1.67 1.47 3hl4B1 ARG 132 HD2 0.04 0.24 -0.22 -0.04 3.22 3.23 3hl4B1 ARG 132 HD3 -0.00 -0.22 -0.08 -0.04 3.22 2.88 3hl4B1 TYR 133 H -0.26 0.59 -0.04 -0.55 8.29 8.03 3hl4B1 TYR 133 HA 0.03 0.04 0.43 -0.75 4.56 4.31 3hl4B1 TYR 133 HB2 0.09 0.09 0.15 -0.04 3.06 3.36 3hl4B1 TYR 133 HB3 0.33 0.00 -0.04 -0.04 2.98 3.23 3hl4B1 TYR 133 HD2 -0.01 0.01 -0.02 -0.04 7.15 7.09 3hl4B1 TYR 133 HE2 -0.01 0.06 -0.08 -0.04 6.85 6.77 3hl4B1 ASP 134 H 0.09 0.36 -0.34 -0.55 8.40 7.97 3hl4B1 ASP 134 HA -0.06 0.06 0.28 -0.75 4.63 4.16 3hl4B1 ASP 134 HB2 0.08 0.08 0.14 -0.04 2.71 2.97 3hl4B1 ASP 134 HB3 0.04 0.04 0.06 -0.04 2.70 2.80 3hl4B1 ALA 135 H -0.07 0.38 -0.21 -0.55 8.40 7.96 3hl4B1 ALA 135 HA -0.01 0.04 0.33 -0.75 4.34 3.95 3hl4B1 ALA 135 HB3 -0.14 0.01 0.09 -0.04 1.41 1.33 3hl4B1 VAL 136 H -0.37 0.42 -0.15 -0.55 8.24 7.59 3hl4B1 VAL 136 HA -0.94 -0.04 0.43 -0.75 4.13 2.82 3hl4B1 VAL 136 HB -0.28 0.14 0.08 -0.04 2.12 2.02 3hl4B1 VAL 136 HG13 -0.40 0.00 -0.16 -0.04 0.97 0.37 3hl4B1 VAL 136 HG23 -0.71 -0.01 -0.03 -0.04 0.95 0.16 3hl4B1 GLN 137 H -0.34 0.35 -0.34 -0.55 8.47 7.59 3hl4B1 GLN 137 HA -0.34 0.06 0.38 -0.75 4.36 3.70 3hl4B1 GLN 137 HB2 -0.55 0.25 0.14 -0.04 2.15 1.96 3hl4B1 GLN 137 HB3 -0.55 -0.08 -0.01 -0.04 2.02 1.34 3hl4B1 GLN 137 HG2 -0.58 0.23 -0.04 -0.04 2.40 1.97 3hl4B1 GLN 137 HG3 -0.42 0.04 -0.03 -0.04 2.39 1.94 3hl4B1 GLN 137 HE21 -0.65 -0.13 -0.06 -0.04 6.97 6.09 3hl4B1 GLN 137 HE22 -0.78 0.49 -0.05 -0.04 7.69 7.31 3hl4B1 HIS 138 H -0.34 0.31 -0.46 -0.55 8.41 7.37 3hl4B1 HIS 138 HA -0.13 0.14 0.64 -0.75 4.63 4.54 3hl4B1 HIS 138 HB2 -0.12 0.06 0.03 -0.04 3.26 3.19 3hl4B1 HIS 138 HB3 -0.08 -0.06 0.09 -0.04 3.20 3.11 3hl4B1 HIS 138 HD2 -0.08 -0.10 -0.09 -0.04 6.97 6.66 3hl4B1 HIS 138 HE1 -0.06 -0.02 -0.05 -0.04 7.75 7.57 3hl4B1 CYS 139 H -0.22 0.34 -0.28 -0.55 8.50 7.80 3hl4B1 CYS 139 HA 0.00 -0.02 0.60 -0.75 4.58 4.40 3hl4B1 CYS 139 HB2 -0.14 -0.03 0.09 -0.04 2.97 2.85 3hl4B1 CYS 139 HB3 -0.13 0.17 0.08 -0.04 2.97 3.05 3hl4B1 ARG 140 H -0.25 0.05 0.14 -0.55 8.46 7.85 3hl4B1 ARG 140 HA -0.22 0.16 0.20 -0.75 4.34 3.72 3hl4B1 ARG 140 HB2 -0.39 -0.02 0.13 -0.04 1.90 1.57 3hl4B1 ARG 140 HB3 -1.45 -0.06 0.03 -0.04 1.80 0.28 3hl4B1 ARG 140 HG2 -0.40 0.05 -0.15 -0.04 1.67 1.13 3hl4B1 ARG 140 HG3 -0.22 0.04 0.03 -0.04 1.67 1.48 3hl4B1 ARG 140 HD2 -0.20 -0.04 0.01 -0.04 3.22 2.95 3hl4B1 ARG 140 HD3 -0.29 -0.03 -0.04 -0.04 3.22 2.82 3hl4B1 TYR 141 H -0.35 -0.05 -0.24 -0.55 8.29 7.11 3hl4B1 TYR 141 HA -0.03 0.20 0.47 -0.75 4.56 4.44 3hl4B1 TYR 141 HB2 -0.02 -0.08 -0.23 -0.04 3.06 2.69 3hl4B1 TYR 141 HB3 -0.03 0.10 0.01 -0.04 2.98 3.02 3hl4B1 TYR 141 HD2 0.01 0.05 -0.06 -0.04 7.15 7.10 3hl4B1 TYR 141 HE2 0.01 -0.01 -0.06 -0.04 6.85 6.74 3hl4B1 VAL 142 H -0.09 0.32 -0.37 -0.55 8.24 7.54 3hl4B1 VAL 142 HA -0.09 0.03 0.36 -0.75 4.13 3.67 3hl4B1 VAL 142 HB -0.16 0.19 0.02 -0.04 2.12 2.13 3hl4B1 VAL 142 HG13 -0.18 -0.02 -0.21 -0.04 0.97 0.52 3hl4B1 VAL 142 HG23 -0.10 -0.06 -0.12 -0.04 0.95 0.62 3hl4B1 ASP 143 H -0.24 0.47 0.40 -0.55 8.40 8.49 3hl4B1 ASP 143 HA -0.23 0.22 1.03 -0.75 4.63 4.90 3hl4B1 ASP 143 HB2 -0.96 0.02 0.14 -0.04 2.71 1.87 3hl4B1 ASP 143 HB3 -0.94 -0.01 0.08 -0.04 2.70 1.79 3hl4B1 GLU 144 H -0.21 0.31 0.33 -0.55 8.60 8.48 3hl4B1 GLU 144 HA -0.10 0.34 0.56 -0.75 4.29 4.34 3hl4B1 GLU 144 HB2 0.07 0.16 -0.18 -0.04 2.09 2.09 3hl4B1 GLU 144 HB3 -0.01 -0.05 -0.17 -0.04 1.99 1.71 3hl4B1 GLU 144 HG2 0.07 -0.15 -0.34 -0.04 2.34 1.87 3hl4B1 GLU 144 HG3 0.07 0.02 -0.15 -0.04 2.34 2.23 3hl4B1 VAL 145 H -0.03 0.48 0.21 -0.55 8.24 8.35 3hl4B1 VAL 145 HA -0.03 0.28 1.00 -0.75 4.13 4.63 3hl4B1 VAL 145 HB -0.05 -0.05 0.03 -0.04 2.12 2.00 3hl4B1 VAL 145 HG13 0.05 -0.01 -0.15 -0.04 0.97 0.82 3hl4B1 VAL 145 HG23 -0.21 0.02 -0.34 -0.04 0.95 0.38 3hl4B1 VAL 146 H 0.06 0.60 0.20 -0.55 8.24 8.54 3hl4B1 VAL 146 HA 0.05 -0.01 0.86 -0.75 4.13 4.28 3hl4B1 VAL 146 HB 0.19 -0.04 0.08 -0.04 2.12 2.31 3hl4B1 VAL 146 HG13 0.19 0.01 -0.13 -0.04 0.97 1.00 3hl4B1 VAL 146 HG23 -0.18 0.01 -0.15 -0.04 0.95 0.59 3hl4B1 ARG 147 H -0.12 0.10 0.14 -0.55 8.46 8.02 3hl4B1 ARG 147 HA -0.43 0.17 0.74 -0.75 4.34 4.06 3hl4B1 ARG 147 HB2 -0.39 0.02 0.08 -0.04 1.90 1.56 3hl4B1 ARG 147 HB3 -0.81 -0.08 0.11 -0.04 1.80 0.97 3hl4B1 ARG 147 HG2 -1.72 0.02 -0.01 -0.04 1.67 -0.08 3hl4B1 ARG 147 HG3 -0.55 0.01 -0.07 -0.04 1.67 1.03 3hl4B1 ARG 147 HD2 -0.77 -0.04 0.01 -0.04 3.22 2.38 3hl4B1 ARG 147 HD3 -1.86 0.05 -0.00 -0.04 3.22 1.37 3hl4B1 ASN 148 H 0.18 0.09 0.15 -0.55 8.53 8.40 3hl4B1 ASN 148 HA 0.17 -0.16 0.41 -0.75 4.76 4.42 3hl4B1 ASN 148 HB2 0.08 -0.08 -0.03 -0.04 2.88 2.81 3hl4B1 ASN 148 HB3 0.07 0.17 -0.04 -0.04 2.79 2.95 3hl4B1 ASN 148 HD21 0.06 -0.02 0.03 -0.04 7.03 7.06 3hl4B1 ASN 148 HD22 0.06 0.05 0.02 -0.04 7.74 7.83 3hl4B1 ALA 149 H 0.16 0.41 -0.32 -0.55 8.40 8.11 3hl4B1 ALA 149 HA 0.12 0.11 0.24 -0.75 4.34 4.05 3hl4B1 ALA 149 HB3 0.16 -0.03 -0.25 -0.04 1.41 1.25 3hl4B1 PRO 150 HA 0.04 0.05 0.43 -0.51 4.44 4.46 3hl4B1 PRO 150 HB2 -0.17 0.17 -0.10 -0.04 2.28 2.15 3hl4B1 PRO 150 HB3 -0.16 0.01 0.08 -0.04 2.02 1.92 3hl4B1 PRO 150 HG2 -0.71 0.01 -0.16 -0.04 2.03 1.13 3hl4B1 PRO 150 HG3 -1.25 -0.04 0.02 -0.04 2.03 0.72 3hl4B1 PRO 150 HD2 -0.79 0.07 0.11 -0.04 3.68 3.03 3hl4B1 PRO 150 HD3 -0.40 0.20 0.11 -0.04 3.65 3.51 3hl4B1 TRP 151 H 0.23 0.08 0.10 -0.55 7.97 7.83 3hl4B1 TRP 151 HA -0.09 0.10 0.43 -0.75 4.62 4.31 3hl4B1 TRP 151 HB2 0.06 -0.04 0.07 -0.04 3.23 3.28 3hl4B1 TRP 151 HB3 -0.22 0.01 0.03 -0.04 3.23 3.01 3hl4B1 TRP 151 HD1 -0.38 0.03 -0.13 -0.04 7.22 6.70 3hl4B1 TRP 151 HE1 0.05 0.02 -0.07 -0.04 10.20 10.16 3hl4B1 TRP 151 HE3 0.11 -0.02 -0.18 -0.04 7.59 7.46 3hl4B1 TRP 151 HZ2 0.29 0.08 -0.17 -0.04 7.44 7.60 3hl4B1 TRP 151 HZ3 0.10 -0.08 -0.20 -0.04 7.13 6.92 3hl4B1 TRP 151 HH2 0.17 -0.04 -0.08 -0.04 7.19 7.19 3hl4B1 THR 152 H 0.03 0.09 0.04 -0.55 8.28 7.89 3hl4B1 THR 152 HA -0.23 0.20 0.84 -0.75 4.39 4.45 3hl4B1 THR 152 HB -0.03 -0.06 0.05 -0.04 4.32 4.24 3hl4B1 THR 152 HG23 -0.05 0.09 -0.01 -0.04 1.22 1.20 3hl4B1 LEU 153 H -0.13 0.17 0.06 -0.55 8.37 7.92 3hl4B1 LEU 153 HA -0.18 0.08 0.56 -0.75 4.35 4.06 3hl4B1 LEU 153 HB2 0.05 -0.02 0.03 -0.04 1.64 1.66 3hl4B1 LEU 153 HB3 0.05 0.04 -0.05 -0.04 1.64 1.64 3hl4B1 LEU 153 HG -0.08 0.00 -0.14 -0.04 1.64 1.38 3hl4B1 LEU 153 HD13 0.23 0.01 -0.08 -0.04 0.93 1.05 3hl4B1 LEU 153 HD23 -0.22 0.01 -0.13 -0.04 0.89 0.51 3hl4B1 THR 154 H 0.06 0.09 0.20 -0.55 8.28 8.08 3hl4B1 THR 154 HA 0.04 0.29 0.74 -0.75 4.39 4.70 3hl4B1 THR 154 HB 0.04 0.04 0.11 -0.04 4.32 4.48 3hl4B1 THR 154 HG23 0.01 0.06 -0.06 -0.04 1.22 1.19 3hl4B1 PRO 155 HA 0.13 0.14 0.39 -0.51 4.44 4.59 3hl4B1 PRO 155 HB2 0.05 0.02 0.00 -0.04 2.28 2.31 3hl4B1 PRO 155 HB3 0.10 0.11 0.06 -0.04 2.02 2.24 3hl4B1 PRO 155 HG2 0.01 0.07 0.07 -0.04 2.03 2.14 3hl4B1 PRO 155 HG3 0.08 0.09 0.04 -0.04 2.03 2.20 3hl4B1 PRO 155 HD2 0.03 0.08 0.21 -0.04 3.68 3.95 3hl4B1 PRO 155 HD3 0.03 0.18 0.22 -0.04 3.65 4.04 3hl4B1 GLU 156 H 0.05 0.11 -0.17 -0.55 8.60 8.05 3hl4B1 GLU 156 HA -0.02 0.15 0.50 -0.75 4.29 4.17 3hl4B1 GLU 156 HB2 0.01 0.05 0.08 -0.04 2.09 2.18 3hl4B1 GLU 156 HB3 0.05 -0.07 0.05 -0.04 1.99 1.97 3hl4B1 GLU 156 HG2 -0.00 0.01 -0.28 -0.04 2.34 2.03 3hl4B1 GLU 156 HG3 -0.05 0.04 0.01 -0.04 2.34 2.31 3hl4B1 PHE 157 H 0.19 0.04 -0.20 -0.55 8.34 7.81 3hl4B1 PHE 157 HA 0.00 0.10 0.48 -0.75 4.62 4.44 3hl4B1 PHE 157 HB2 0.01 -0.03 0.12 -0.04 3.15 3.21 3hl4B1 PHE 157 HB3 -0.02 -0.04 0.14 -0.04 3.06 3.10 3hl4B1 PHE 157 HD2 -0.06 0.01 -0.12 -0.04 7.28 7.06 3hl4B1 PHE 157 HE2 -0.53 0.04 -0.09 -0.04 7.38 6.76 3hl4B1 PHE 157 HZ -0.06 -0.02 -0.08 -0.04 7.32 7.12 3hl4B1 LEU 158 H 0.13 0.36 -0.24 -0.55 8.37 8.07 3hl4B1 LEU 158 HA -0.03 0.04 0.18 -0.75 4.35 3.79 3hl4B1 LEU 158 HB2 0.11 0.07 0.08 -0.04 1.64 1.85 3hl4B1 LEU 158 HB3 0.13 0.12 -0.06 -0.04 1.64 1.79 3hl4B1 LEU 158 HG 0.16 -0.05 -0.10 -0.04 1.64 1.60 3hl4B1 LEU 158 HD13 0.15 0.00 -0.17 -0.04 0.93 0.87 3hl4B1 LEU 158 HD23 0.11 0.01 -0.13 -0.04 0.89 0.84 3hl4B1 ALA 159 H -0.15 0.40 -0.15 -0.55 8.40 7.96 3hl4B1 ALA 159 HA -1.61 0.09 0.55 -0.75 4.34 2.61 3hl4B1 ALA 159 HB3 -0.13 -0.00 0.13 -0.04 1.41 1.37 3hl4B1 GLU 160 H -0.26 0.59 -0.09 -0.55 8.60 8.30 3hl4B1 GLU 160 HA -0.21 0.01 0.36 -0.75 4.29 3.69 3hl4B1 GLU 160 HB2 -0.23 -0.02 0.15 -0.04 2.09 1.95 3hl4B1 GLU 160 HB3 -0.39 0.05 0.22 -0.04 1.99 1.83 3hl4B1 GLU 160 HG2 -0.68 0.01 -0.09 -0.04 2.34 1.54 3hl4B1 GLU 160 HG3 -0.26 -0.00 0.02 -0.04 2.34 2.05 3hl4B1 HIS 161 H -0.39 0.44 -0.27 -0.55 8.41 7.65 3hl4B1 HIS 161 HA -0.14 0.17 0.64 -0.75 4.63 4.54 3hl4B1 HIS 161 HB2 -0.41 0.01 -0.04 -0.04 3.26 2.79 3hl4B1 HIS 161 HB3 -0.16 -0.02 0.03 -0.04 3.20 3.02 3hl4B1 HIS 161 HD2 -1.71 0.09 0.01 -0.04 6.97 5.32 3hl4B1 HIS 161 HE1 -0.08 -0.07 -0.08 -0.04 7.75 7.47 3hl4B1 ARG 162 H -0.34 0.30 -0.56 -0.55 8.46 7.30 3hl4B1 ARG 162 HA -0.43 -0.02 0.31 -0.75 4.34 3.45 3hl4B1 ARG 162 HB2 -0.04 0.13 -0.37 -0.04 1.90 1.57 3hl4B1 ARG 162 HB3 0.03 -0.04 0.15 -0.04 1.80 1.90 3hl4B1 ARG 162 HG2 -0.05 0.10 -0.17 -0.04 1.67 1.51 3hl4B1 ARG 162 HG3 -0.03 -0.01 -0.08 -0.04 1.67 1.51 3hl4B1 ARG 162 HD2 0.17 -0.07 -0.01 -0.04 3.22 3.27 3hl4B1 ARG 162 HD3 -0.14 0.06 0.08 -0.04 3.22 3.17 3hl4B1 ILE 163 H -0.12 0.48 -0.07 -0.55 8.25 8.00 3hl4B1 ILE 163 HA 0.10 0.13 0.53 -0.75 4.18 4.18 3hl4B1 ILE 163 HB 0.04 -0.09 0.04 -0.04 1.89 1.83 3hl4B1 ILE 163 HG12 0.11 0.02 -0.18 -0.04 1.49 1.40 3hl4B1 ILE 163 HG13 -0.01 0.10 -0.34 -0.04 1.21 0.92 3hl4B1 ILE 163 HG23 0.14 -0.02 -0.23 -0.04 0.93 0.78 3hl4B1 ILE 163 HD13 -0.29 -0.05 -0.14 -0.04 0.88 0.35 3hl4B1 ASP 164 H 0.07 0.45 0.41 -0.55 8.40 8.79 3hl4B1 ASP 164 HA -0.22 0.09 0.98 -0.75 4.63 4.72 3hl4B1 ASP 164 HB2 0.02 0.03 0.15 -0.04 2.71 2.86 3hl4B1 ASP 164 HB3 -0.52 -0.02 0.07 -0.04 2.70 2.19 3hl4B1 PHE 165 H 0.17 0.39 0.30 -0.55 8.34 8.65 3hl4B1 PHE 165 HA 0.11 0.28 0.86 -0.75 4.62 5.11 3hl4B1 PHE 165 HB2 0.23 -0.07 -0.09 -0.04 3.15 3.18 3hl4B1 PHE 165 HB3 0.14 0.01 -0.07 -0.04 3.06 3.09 3hl4B1 PHE 165 HD2 0.03 -0.03 -0.17 -0.04 7.28 7.07 3hl4B1 PHE 165 HE2 -0.22 0.02 -0.07 -0.04 7.38 7.07 3hl4B1 PHE 165 HZ -0.12 -0.23 -0.42 -0.04 7.32 6.51 3hl4B1 VAL 166 H 0.22 0.75 0.39 -0.55 8.24 9.06 3hl4B1 VAL 166 HA 0.25 0.29 1.03 -0.75 4.13 4.95 3hl4B1 VAL 166 HB 0.28 -0.06 0.06 -0.04 2.12 2.35 3hl4B1 VAL 166 HG13 0.35 -0.02 -0.13 -0.04 0.97 1.13 3hl4B1 VAL 166 HG23 0.26 -0.01 -0.16 -0.04 0.95 1.00 3hl4B1 ALA 167 H 0.03 0.79 0.39 -0.55 8.40 9.06 3hl4B1 ALA 167 HA -0.43 0.43 1.09 -0.75 4.34 4.68 3hl4B1 ALA 167 HB3 -0.10 -0.03 -0.01 -0.04 1.41 1.23 3hl4B1 HIS 168 H -0.42 0.55 0.29 -0.55 8.41 8.30 3hl4B1 HIS 168 HA -0.11 0.04 0.51 -0.75 4.63 4.32 3hl4B1 HIS 168 HB2 -0.25 0.08 -0.15 -0.04 3.26 2.90 3hl4B1 HIS 168 HB3 -0.29 0.04 -0.13 -0.04 3.20 2.78 3hl4B1 HIS 168 HD2 -0.05 0.17 0.11 -0.04 6.97 7.15 3hl4B1 HIS 168 HE1 0.23 -0.01 -0.01 -0.04 7.75 7.92 3hl4B1 ASP 169 H -0.63 0.06 0.12 -0.55 8.40 7.40 3hl4B1 ASP 169 HA -0.02 0.45 0.65 -0.75 4.63 4.95 3hl4B1 ASP 169 HB2 -0.01 -0.03 0.14 -0.04 2.71 2.77 3hl4B1 ASP 169 HB3 -0.14 -0.02 0.02 -0.04 2.70 2.53 3hl4B1 ASP 170 H 0.08 0.17 0.18 -0.55 8.40 8.29 3hl4B1 ASP 170 HA 0.19 0.15 0.31 -0.75 4.63 4.53 3hl4B1 ASP 170 HB2 0.12 0.05 0.11 -0.04 2.71 2.95 3hl4B1 ASP 170 HB3 0.07 -0.02 0.04 -0.04 2.70 2.74 3hl4B1 ILE 171 H 0.12 -0.01 -0.39 -0.55 8.25 7.42 3hl4B1 ILE 171 HA 0.05 0.12 0.50 -0.75 4.18 4.10 3hl4B1 ILE 171 HB 0.13 -0.05 0.02 -0.04 1.89 1.95 3hl4B1 ILE 171 HG12 0.04 0.06 -0.00 -0.04 1.49 1.55 3hl4B1 ILE 171 HG13 0.06 -0.13 0.01 -0.04 1.21 1.11 3hl4B1 ILE 171 HG23 0.05 0.05 -0.06 -0.04 0.93 0.93 3hl4B1 ILE 171 HD13 0.04 -0.00 0.01 -0.04 0.88 0.88 3hl4B1 PRO 172 HA 0.06 -0.07 0.39 -0.51 4.44 4.31 3hl4B1 PRO 172 HB2 0.03 0.03 0.10 -0.04 2.28 2.40 3hl4B1 PRO 172 HB3 0.02 -0.00 0.04 -0.04 2.02 2.04 3hl4B1 PRO 172 HG2 0.02 0.02 0.10 -0.04 2.03 2.12 3hl4B1 PRO 172 HG3 0.01 0.05 0.09 -0.04 2.03 2.14 3hl4B1 PRO 172 HD2 0.03 0.03 0.24 -0.04 3.68 3.94 3hl4B1 PRO 172 HD3 0.02 0.31 0.31 -0.04 3.65 4.25 3hl4B1 TYR 173 H 0.22 -0.03 0.18 -0.55 8.29 8.10 3hl4B1 TYR 173 HA 0.06 0.21 0.83 -0.75 4.56 4.91 3hl4B1 TYR 173 HB2 0.12 0.13 0.08 -0.04 3.06 3.35 3hl4B1 TYR 173 HB3 -0.08 -0.22 0.20 -0.04 2.98 2.84 3hl4B1 TYR 173 HD2 0.02 -0.05 -0.15 -0.04 7.15 6.94 3hl4B1 TYR 173 HE2 0.09 -0.03 -0.07 -0.04 6.85 6.79 3hl4B1 SER 174 H -0.09 0.27 0.06 -0.55 8.46 8.15 3hl4B1 SER 174 HA 0.04 0.06 0.47 -0.75 4.49 4.31 3hl4B1 SER 174 HB2 0.01 0.02 0.15 -0.04 3.95 4.09 3hl4B1 SER 174 HB3 0.01 0.18 0.13 -0.04 3.93 4.20 3hl4B1 SER 175 H 0.14 0.24 0.12 -0.55 8.46 8.42 3hl4B1 SER 175 HA 0.10 0.16 0.16 -0.75 4.49 4.15 3hl4B1 SER 175 HB2 0.60 -0.07 0.08 -0.04 3.95 4.51 3hl4B1 SER 175 HB3 0.16 0.01 -0.00 -0.04 3.93 4.06 3hl4B1 ALA 176 H 0.00 0.29 0.17 -0.55 8.40 8.32 3hl4B1 ALA 176 HA 0.02 0.00 -0.35 -0.75 4.34 3.26 3hl4B1 ALA 176 HB3 0.03 0.04 -0.03 -0.04 1.41 1.40 3hl4B1 GLY 177 H 0.01 0.14 0.02 -0.55 8.43 8.05 3hl4B1 GLY 177 HA2 0.00 0.03 0.30 -0.51 4.01 3.83 3hl4B1 GLY 177 HA3 0.00 0.16 0.24 -0.51 4.01 3.91 3hl4B1 SER 178 H 0.00 0.18 -0.12 -0.55 8.46 7.98 3hl4B1 SER 178 HA 0.00 0.12 0.29 -0.75 4.49 4.15 3hl4B1 SER 178 HB2 -0.01 0.10 -0.02 -0.04 3.95 3.98 3hl4B1 SER 178 HB3 0.01 0.11 -0.04 -0.04 3.93 3.97 3hl4B1 ASP 179 H 0.01 0.17 0.03 -0.55 8.40 8.06 3hl4B1 ASP 179 HA 0.01 0.14 0.78 -0.75 4.63 4.81 3hl4B1 ASP 179 HB2 0.01 -0.02 0.07 -0.04 2.71 2.73 3hl4B1 ASP 179 HB3 0.01 0.05 -0.02 -0.04 2.70 2.70 3hl4B1 ASP 180 H 0.01 0.11 -0.10 -0.55 8.40 7.88 3hl4B1 ASP 180 HA 0.05 0.27 0.21 -0.75 4.63 4.40 3hl4B1 ASP 180 HB2 0.02 0.17 -0.13 -0.04 2.71 2.74 3hl4B1 ASP 180 HB3 0.01 -0.01 0.08 -0.04 2.70 2.74 3hl4B1 VAL 181 H -0.00 0.72 0.21 -0.55 8.24 8.62 3hl4B1 VAL 181 HA -0.09 0.07 0.41 -0.75 4.13 3.77 3hl4B1 VAL 181 HB -0.27 -0.03 0.13 -0.04 2.12 1.91 3hl4B1 VAL 181 HG13 0.03 0.04 0.06 -0.04 0.97 1.07 3hl4B1 VAL 181 HG23 -0.75 0.03 -0.06 -0.04 0.95 0.12 3hl4B1 TYR 182 H -0.06 0.04 -0.37 -0.55 8.29 7.34 3hl4B1 TYR 182 HA -0.05 0.16 0.78 -0.75 4.56 4.70 3hl4B1 TYR 182 HB2 -0.31 0.01 -0.05 -0.04 3.06 2.68 3hl4B1 TYR 182 HB3 -0.38 0.01 0.04 -0.04 2.98 2.61 3hl4B1 TYR 182 HD2 -0.02 -0.05 -0.02 -0.04 7.15 7.02 3hl4B1 TYR 182 HE2 -0.50 0.01 -0.06 -0.04 6.85 6.25 3hl4B1 LYS 183 H -0.01 0.55 -0.27 -0.55 8.42 8.14 3hl4B1 LYS 183 HA -0.01 0.05 0.36 -0.75 4.32 3.95 3hl4B1 LYS 183 HB2 0.01 -0.06 0.16 -0.04 1.87 1.94 3hl4B1 LYS 183 HB3 0.01 0.25 0.24 -0.04 1.79 2.25 3hl4B1 LYS 183 HG2 0.02 -0.01 0.04 -0.04 1.46 1.47 3hl4B1 LYS 183 HG3 0.05 0.02 -0.11 -0.04 1.46 1.38 3hl4B1 LYS 183 HD2 0.02 -0.03 -0.02 -0.04 1.69 1.62 3hl4B1 LYS 183 HD3 0.01 -0.01 0.04 -0.04 1.68 1.68 3hl4B1 LYS 183 HE2 0.02 0.03 -0.01 -0.04 2.99 2.99 3hl4B1 LYS 183 HE3 0.02 -0.02 -0.00 -0.04 2.99 2.95 3hl4B1 HIS 184 H 0.12 0.16 -0.18 -0.55 8.41 7.96 3hl4B1 HIS 184 HA 0.02 0.06 0.24 -0.75 4.63 4.20 3hl4B1 HIS 184 HB2 0.01 0.00 0.05 -0.04 3.26 3.29 3hl4B1 HIS 184 HB3 0.02 0.03 0.05 -0.04 3.20 3.25 3hl4B1 HIS 184 HD2 0.04 0.03 -0.15 -0.04 6.97 6.84 3hl4B1 HIS 184 HE1 0.03 0.04 -0.03 -0.04 7.75 7.74 3hl4B1 ILE 185 H 0.06 0.07 -0.28 -0.55 8.25 7.56 3hl4B1 ILE 185 HA -0.07 0.08 0.37 -0.75 4.18 3.80 3hl4B1 ILE 185 HB 0.27 0.09 0.06 -0.04 1.89 2.27 3hl4B1 ILE 185 HG12 0.14 -0.05 0.03 -0.04 1.49 1.57 3hl4B1 ILE 185 HG13 0.28 0.01 -0.03 -0.04 1.21 1.43 3hl4B1 ILE 185 HG23 0.32 0.00 -0.24 -0.04 0.93 0.97 3hl4B1 ILE 185 HD13 0.10 0.00 -0.13 -0.04 0.88 0.81 3hl4B1 LYS 186 H 0.00 0.60 -0.11 -0.55 8.42 8.35 3hl4B1 LYS 186 HA 0.11 -0.01 0.49 -0.75 4.32 4.16 3hl4B1 LYS 186 HB2 -0.06 0.07 0.13 -0.04 1.87 1.96 3hl4B1 LYS 186 HB3 -0.03 0.00 -0.00 -0.04 1.79 1.71 3hl4B1 LYS 186 HG2 -0.40 0.03 -0.03 -0.04 1.46 1.02 3hl4B1 LYS 186 HG3 -0.48 0.02 -0.04 -0.04 1.46 0.92 3hl4B1 LYS 186 HD2 -0.22 -0.10 -0.20 -0.04 1.69 1.13 3hl4B1 LYS 186 HD3 -0.21 0.02 -0.06 -0.04 1.68 1.39 3hl4B1 LYS 186 HE2 -0.87 0.05 -0.10 -0.04 2.99 2.03 3hl4B1 LYS 186 HE3 -1.27 -0.04 -0.14 -0.04 2.99 1.50 3hl4B1 GLU 187 H 0.00 0.48 0.05 -0.55 8.60 8.59 3hl4B1 GLU 187 HA 0.02 0.03 0.50 -0.75 4.29 4.09 3hl4B1 GLU 187 HB2 0.03 0.07 0.09 -0.04 2.09 2.25 3hl4B1 GLU 187 HB3 0.04 -0.03 0.07 -0.04 1.99 2.03 3hl4B1 GLU 187 HG2 0.03 -0.04 0.06 -0.04 2.34 2.34 3hl4B1 GLU 187 HG3 0.02 0.29 0.15 -0.04 2.34 2.76 3hl4B1 ALA 188 H -0.12 0.43 -0.29 -0.55 8.40 7.87 3hl4B1 ALA 188 HA -0.03 0.06 0.50 -0.75 4.34 4.11 3hl4B1 ALA 188 HB3 -0.20 -0.01 0.10 -0.04 1.41 1.25 3hl4B1 GLY 189 H 0.04 0.42 -0.50 -0.55 8.43 7.84 3hl4B1 GLY 189 HA2 0.11 0.03 0.36 -0.51 4.01 3.99 3hl4B1 GLY 189 HA3 0.08 0.02 0.47 -0.51 4.01 4.07 3hl4B1 MET 190 H 0.12 0.42 -0.01 -0.55 8.47 8.45 3hl4B1 MET 190 HA 0.26 0.29 0.92 -0.75 4.52 5.24 3hl4B1 MET 190 HB2 0.09 -0.08 0.00 -0.04 2.15 2.12 3hl4B1 MET 190 HB3 0.06 -0.06 0.12 -0.04 2.03 2.12 3hl4B1 MET 190 HG2 -0.15 0.17 -0.01 -0.04 2.63 2.60 3hl4B1 MET 190 HG3 -0.03 0.07 -0.23 -0.04 2.56 2.34 3hl4B1 MET 190 HE3 0.05 0.04 -0.22 -0.04 2.10 1.94 3hl4B1 PHE 191 H 0.30 0.14 -0.13 -0.55 8.34 8.10 3hl4B1 PHE 191 HA 0.14 0.18 0.75 -0.75 4.62 4.94 3hl4B1 PHE 191 HB2 0.07 -0.11 -0.26 -0.04 3.15 2.81 3hl4B1 PHE 191 HB3 0.06 -0.00 0.05 -0.04 3.06 3.13 3hl4B1 PHE 191 HD2 0.02 -0.04 -0.19 -0.04 7.28 7.03 3hl4B1 PHE 191 HE2 -0.50 -0.08 -0.21 -0.04 7.38 6.56 3hl4B1 PHE 191 HZ -0.22 0.15 -0.31 -0.04 7.32 6.90 3hl4B1 ALA 192 H -0.41 0.78 0.26 -0.55 8.40 8.48 3hl4B1 ALA 192 HA -0.10 0.16 0.81 -0.75 4.34 4.45 3hl4B1 ALA 192 HB3 -0.14 0.00 -0.05 -0.04 1.41 1.18 3hl4B1 PRO 193 HA -0.18 0.26 0.52 -0.51 4.44 4.54 3hl4B1 PRO 193 HB2 0.04 -0.01 -0.01 -0.04 2.28 2.27 3hl4B1 PRO 193 HB3 0.24 -0.06 0.05 -0.04 2.02 2.20 3hl4B1 PRO 193 HG2 0.08 0.01 0.06 -0.04 2.03 2.14 3hl4B1 PRO 193 HG3 0.27 0.02 0.02 -0.04 2.03 2.30 3hl4B1 PRO 193 HD2 -0.05 0.10 0.15 -0.04 3.68 3.84 3hl4B1 PRO 193 HD3 0.03 0.30 0.25 -0.04 3.65 4.19 3hl4B1 THR 194 H -0.11 0.37 0.02 -0.55 8.28 8.01 3hl4B1 THR 194 HA -0.10 0.25 0.75 -0.75 4.39 4.53 3hl4B1 THR 194 HB -0.09 0.02 0.03 -0.04 4.32 4.24 3hl4B1 THR 194 HG23 -0.13 0.06 -0.14 -0.04 1.22 0.97 3hl4B1 GLN 195 H -0.07 0.24 0.10 -0.55 8.47 8.19 3hl4B1 GLN 195 HA -0.03 0.06 0.80 -0.75 4.36 4.44 3hl4B1 GLN 195 HB2 -0.05 0.01 0.04 -0.04 2.15 2.12 3hl4B1 GLN 195 HB3 -0.03 0.05 0.03 -0.04 2.02 2.03 3hl4B1 GLN 195 HG2 -0.05 0.02 -0.13 -0.04 2.40 2.19 3hl4B1 GLN 195 HG3 -0.04 0.03 -0.03 -0.04 2.39 2.31 3hl4B1 GLN 195 HE21 -0.00 -0.04 -0.09 -0.04 6.97 6.79 3hl4B1 GLN 195 HE22 -0.03 0.09 -0.26 -0.04 7.69 7.46 3hl4B1 ARG 196 H -0.03 0.09 0.12 -0.55 8.46 8.09 3hl4B1 ARG 196 HA -0.05 0.08 0.62 -0.75 4.34 4.24 3hl4B1 ARG 196 HB2 -0.02 0.00 0.02 -0.04 1.90 1.86 3hl4B1 ARG 196 HB3 -0.03 0.05 0.00 -0.04 1.80 1.78 3hl4B1 ARG 196 HG2 -0.06 0.00 0.02 -0.04 1.67 1.59 3hl4B1 ARG 196 HG3 -0.04 -0.03 0.05 -0.04 1.67 1.61 3hl4B1 ARG 196 HD2 0.00 -0.00 0.02 -0.04 3.22 3.20 3hl4B1 ARG 196 HD3 -0.00 0.02 0.02 -0.04 3.22 3.22 3hl4B1 THR 197 H -0.04 0.10 0.16 -0.55 8.28 7.95 3hl4B1 THR 197 HA -0.03 0.14 0.72 -0.75 4.39 4.46 3hl4B1 THR 197 HB -0.03 -0.17 0.21 -0.04 4.32 4.28 3hl4B1 THR 197 HG23 -0.04 0.05 -0.11 -0.04 1.22 1.08 3hl4B1 GLU 198 H -0.03 0.19 0.13 -0.55 8.60 8.34 3hl4B1 GLU 198 HA -0.03 0.01 0.39 -0.75 4.29 3.90 3hl4B1 GLU 198 HB2 -0.03 0.03 0.10 -0.04 2.09 2.15 3hl4B1 GLU 198 HB3 -0.02 0.01 0.03 -0.04 1.99 1.97 3hl4B1 GLU 198 HG2 -0.02 -0.02 0.02 -0.04 2.34 2.28 3hl4B1 GLU 198 HG3 -0.02 0.05 0.00 -0.04 2.34 2.33 3hl4B1 GLY 199 H -0.04 0.11 0.15 -0.55 8.43 8.11 3hl4B1 GLY 199 HA2 -0.04 0.00 0.30 -0.51 4.01 3.76 3hl4B1 GLY 199 HA3 -0.04 0.14 0.21 -0.51 4.01 3.80 3hl4B1 ILE 200 H -0.10 0.35 -0.24 -0.55 8.25 7.72 3hl4B1 ILE 200 HA -0.16 0.11 0.51 -0.75 4.18 3.88 3hl4B1 ILE 200 HB -0.13 0.19 -0.11 -0.04 1.89 1.80 3hl4B1 ILE 200 HG12 -0.80 -0.14 -0.09 -0.04 1.49 0.42 3hl4B1 ILE 200 HG13 -0.28 0.04 0.11 -0.04 1.21 1.05 3hl4B1 ILE 200 HG23 -0.16 -0.01 -0.10 -0.04 0.93 0.62 3hl4B1 ILE 200 HD13 -0.11 -0.01 0.02 -0.04 0.88 0.74 3hl4B1 SER 201 H -0.24 0.33 0.15 -0.55 8.46 8.15 3hl4B1 SER 201 HA -0.32 0.12 0.23 -0.75 4.49 3.76 3hl4B1 SER 201 HB2 -0.01 -0.02 0.21 -0.04 3.95 4.09 3hl4B1 SER 201 HB3 -0.07 0.28 0.10 -0.04 3.93 4.20 3hl4B1 THR 202 H 0.16 0.20 0.14 -0.55 8.28 8.23 3hl4B1 THR 202 HA 0.16 0.16 0.53 -0.75 4.39 4.48 3hl4B1 THR 202 HB 0.14 -0.03 0.15 -0.04 4.32 4.54 3hl4B1 THR 202 HG23 0.14 0.01 -0.08 -0.04 1.22 1.24 3hl4B1 SER 203 H 0.05 0.11 -0.09 -0.55 8.46 7.98 3hl4B1 SER 203 HA 0.06 0.10 0.31 -0.75 4.49 4.20 3hl4B1 SER 203 HB2 0.02 -0.04 0.02 -0.04 3.95 3.91 3hl4B1 SER 203 HB3 0.03 0.09 -0.06 -0.04 3.93 3.96 3hl4B1 ASP 204 H -0.01 0.03 -0.17 -0.55 8.40 7.69 3hl4B1 ASP 204 HA -0.00 0.10 0.48 -0.75 4.63 4.45 3hl4B1 ASP 204 HB2 -0.04 -0.01 0.01 -0.04 2.71 2.62 3hl4B1 ASP 204 HB3 -0.07 -0.10 0.05 -0.04 2.70 2.53 3hl4B1 ILE 205 H -0.01 0.40 -0.31 -0.55 8.25 7.79 3hl4B1 ILE 205 HA 0.01 0.08 0.45 -0.75 4.18 3.97 3hl4B1 ILE 205 HB 0.05 0.09 0.23 -0.04 1.89 2.22 3hl4B1 ILE 205 HG12 -0.02 0.02 0.03 -0.04 1.49 1.49 3hl4B1 ILE 205 HG13 -0.09 -0.02 0.05 -0.04 1.21 1.11 3hl4B1 ILE 205 HG23 0.06 0.00 -0.08 -0.04 0.93 0.87 3hl4B1 ILE 205 HD13 0.02 -0.02 -0.03 -0.04 0.88 0.81 3hl4B1 ILE 206 H 0.05 0.51 0.05 -0.55 8.25 8.31 3hl4B1 ILE 206 HA 0.07 0.01 0.38 -0.75 4.18 3.89 3hl4B1 ILE 206 HB 0.07 0.10 0.18 -0.04 1.89 2.19 3hl4B1 ILE 206 HG12 0.10 -0.02 0.02 -0.04 1.49 1.55 3hl4B1 ILE 206 HG13 0.09 0.07 0.08 -0.04 1.21 1.41 3hl4B1 ILE 206 HG23 0.07 -0.00 -0.12 -0.04 0.93 0.84 3hl4B1 ILE 206 HD13 0.12 -0.04 -0.09 -0.04 0.88 0.83 3hl4B1 THR 207 H 0.04 0.55 -0.16 -0.55 8.28 8.16 3hl4B1 THR 207 HA 0.04 0.00 0.43 -0.75 4.39 4.11 3hl4B1 THR 207 HB 0.02 0.05 0.16 -0.04 4.32 4.51 3hl4B1 THR 207 HG23 0.02 -0.00 -0.08 -0.04 1.22 1.11 3hl4B1 ARG 208 H 0.03 0.51 -0.14 -0.55 8.46 8.31 3hl4B1 ARG 208 HA 0.03 0.03 0.48 -0.75 4.34 4.12 3hl4B1 ARG 208 HB2 0.04 0.08 0.11 -0.04 1.90 2.09 3hl4B1 ARG 208 HB3 0.04 -0.03 0.02 -0.04 1.80 1.78 3hl4B1 ARG 208 HG2 0.01 -0.05 0.07 -0.04 1.67 1.65 3hl4B1 ARG 208 HG3 0.01 0.27 0.15 -0.04 1.67 2.06 3hl4B1 ARG 208 HD2 0.02 -0.01 0.02 -0.04 3.22 3.21 3hl4B1 ARG 208 HD3 0.01 -0.00 0.02 -0.04 3.22 3.20 3hl4B1 ILE 209 H 0.07 0.48 -0.13 -0.55 8.25 8.12 3hl4B1 ILE 209 HA 0.20 0.04 0.47 -0.75 4.18 4.14 3hl4B1 ILE 209 HB 0.08 0.08 0.18 -0.04 1.89 2.19 3hl4B1 ILE 209 HG12 0.10 -0.01 0.02 -0.04 1.49 1.55 3hl4B1 ILE 209 HG13 0.09 0.01 0.02 -0.04 1.21 1.29 3hl4B1 ILE 209 HG23 0.09 -0.02 -0.18 -0.04 0.93 0.79 3hl4B1 ILE 209 HD13 0.05 -0.02 -0.08 -0.04 0.88 0.79 3hl4B1 VAL 210 H 0.08 0.62 -0.07 -0.55 8.24 8.32 3hl4B1 VAL 210 HA 0.10 -0.05 0.48 -0.75 4.13 3.90 3hl4B1 VAL 210 HB 0.05 0.10 0.17 -0.04 2.12 2.40 3hl4B1 VAL 210 HG13 0.05 -0.01 -0.09 -0.04 0.97 0.88 3hl4B1 VAL 210 HG23 0.06 0.01 0.02 -0.04 0.95 1.00 3hl4B1 ARG 211 H 0.04 0.45 -0.07 -0.55 8.46 8.33 3hl4B1 ARG 211 HA 0.02 0.03 0.42 -0.75 4.34 4.06 3hl4B1 ARG 211 HB2 0.01 0.08 0.12 -0.04 1.90 2.07 3hl4B1 ARG 211 HB3 0.00 -0.04 0.07 -0.04 1.80 1.80 3hl4B1 ARG 211 HG2 0.03 -0.07 0.13 -0.04 1.67 1.72 3hl4B1 ARG 211 HG3 0.02 0.03 0.08 -0.04 1.67 1.76 3hl4B1 ARG 211 HD2 0.01 -0.00 0.02 -0.04 3.22 3.21 3hl4B1 ARG 211 HD3 0.01 -0.02 0.02 -0.04 3.22 3.19 3hl4B1 ASP 212 H 0.04 0.32 -0.35 -0.55 8.40 7.86 3hl4B1 ASP 212 HA -0.14 0.05 0.37 -0.75 4.63 4.16 3hl4B1 ASP 212 HB2 0.09 0.03 0.14 -0.04 2.71 2.93 3hl4B1 ASP 212 HB3 -0.54 -0.07 0.02 -0.04 2.70 2.07 3hl4B1 TYR 213 H 0.12 0.21 -0.07 -0.55 8.29 8.00 3hl4B1 TYR 213 HA 0.01 0.18 0.87 -0.75 4.56 4.87 3hl4B1 TYR 213 HB2 0.03 0.07 0.01 -0.04 3.06 3.13 3hl4B1 TYR 213 HB3 0.02 -0.09 -0.02 -0.04 2.98 2.85 3hl4B1 TYR 213 HD2 0.02 0.03 0.00 -0.04 7.15 7.15 3hl4B1 TYR 213 HE2 0.01 -0.03 -0.02 -0.04 6.85 6.77 3hl4B1 ASP 214 H 0.12 0.33 0.16 -0.55 8.40 8.46 3hl4B1 ASP 214 HA 0.11 -0.05 0.55 -0.75 4.63 4.49 3hl4B1 ASP 214 HB2 0.10 -0.03 0.22 -0.04 2.71 2.96 3hl4B1 ASP 214 HB3 0.10 0.11 0.05 -0.04 2.70 2.91 3hl4B1 VAL 215 H 0.03 0.04 0.18 -0.55 8.24 7.95 3hl4B1 VAL 215 HA -0.04 0.17 0.46 -0.75 4.13 3.97 3hl4B1 VAL 215 HB -0.28 -0.09 0.14 -0.04 2.12 1.84 3hl4B1 VAL 215 HG13 -0.18 0.00 -0.06 -0.04 0.97 0.69 3hl4B1 VAL 215 HG23 -0.04 0.01 0.09 -0.04 0.95 0.97 3hl4B1 TYR 216 H -0.05 0.02 -0.10 -0.55 8.29 7.62 3hl4B1 TYR 216 HA 0.01 0.07 0.09 -0.75 4.56 3.97 3hl4B1 TYR 216 HB2 0.01 -0.00 0.00 -0.04 3.06 3.03 3hl4B1 TYR 216 HB3 0.00 0.03 0.03 -0.04 2.98 3.00 3hl4B1 TYR 216 HD2 0.01 0.00 0.02 -0.04 7.15 7.14 3hl4B1 TYR 216 HE2 0.00 0.00 0.01 -0.04 6.85 6.82