============================================================================= 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 16 1.000 -47.683 35.771 -32.509 -99.200 -91.000 TRP 19 1.040 -48.479 31.282 -38.814 -99.200 -91.000 TRP6 19 1.020 -46.162 31.001 -38.530 -99.200 -91.000 HIS 23 0.900 -46.857 27.185 -41.275 -99.200 -91.000 HIS 30 0.900 -51.325 20.211 -31.080 -99.200 -91.000 TYR 35 0.840 -46.833 32.511 -23.144 -99.200 -91.000 HIS 42 0.900 -35.482 17.989 -29.542 -99.200 -91.000 PHE 65 1.000 -23.146 22.916 -21.828 -99.200 -91.000 HIS 66 0.900 -27.106 17.602 -23.972 -99.200 -91.000 TYR 77 0.840 -32.737 28.299 -41.269 -99.200 -91.000 HIS 80 0.900 -25.203 31.970 -42.641 -99.200 -91.000 TRP 106 1.040 -44.090 40.387 -34.994 -99.200 -91.000 TRP6 106 1.020 -45.973 40.179 -36.409 -99.200 -91.000 HIS 111 0.900 -36.813 35.736 -43.046 -99.200 -91.000 PHE 112 1.000 -39.062 31.310 -42.398 -99.200 -91.000 TRP 135 1.040 -53.728 41.891 -51.168 -99.200 -91.000 TRP6 135 1.020 -55.005 40.739 -49.564 -99.200 -91.000 TYR 143 0.840 -66.274 44.646 -52.152 -99.200 -91.000 PHE 151 1.000 -52.811 45.326 -41.639 -99.200 -91.000 TRP 155 1.040 -58.499 44.753 -40.425 -99.200 -91.000 TRP6 155 1.020 -58.614 43.630 -42.493 -99.200 -91.000 PHE 161 1.000 -60.916 39.607 -40.865 -99.200 -91.000 HIS 166 0.900 -68.436 39.834 -53.541 -99.200 -91.000 HIS 168 0.900 -59.621 33.989 -54.450 -99.200 -91.000 TYR 179 0.840 -72.379 46.498 -47.306 -99.200 -91.000 PHE 191 1.000 -62.424 35.351 -38.326 -99.200 -91.000 TYR 222 0.840 -58.093 34.909 -40.722 -99.200 -91.000 TYR 227 0.840 -50.338 38.413 -50.858 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3f7pA1 VAL 60 HA -0.00 -0.09 0.24 -0.75 4.13 3.52 3f7pA1 VAL 60 HB -0.00 -0.03 0.06 -0.04 2.12 2.11 3f7pA1 VAL 60 HG13 -0.00 -0.01 -0.18 -0.04 0.97 0.74 3f7pA1 VAL 60 HG23 -0.00 -0.00 0.03 -0.04 0.95 0.94 3f7pA1 ILE 61 H -0.00 0.13 0.13 -0.55 8.25 7.96 3f7pA1 ILE 61 HA -0.01 0.20 0.98 -0.75 4.18 4.61 3f7pA1 ILE 61 HB -0.01 -0.00 0.09 -0.04 1.89 1.93 3f7pA1 ILE 61 HG12 -0.00 -0.02 -0.00 -0.04 1.49 1.42 3f7pA1 ILE 61 HG13 -0.00 0.01 -0.60 -0.04 1.21 0.58 3f7pA1 ILE 61 HG23 -0.00 0.02 -0.09 -0.04 0.93 0.81 3f7pA1 ILE 61 HD13 -0.00 0.00 -0.07 -0.04 0.88 0.76 3f7pA1 ARG 62 H -0.01 0.20 0.16 -0.55 8.46 8.26 3f7pA1 ARG 62 HA -0.00 0.16 0.63 -0.75 4.34 4.37 3f7pA1 ARG 62 HB2 -0.00 -0.01 -0.05 -0.04 1.90 1.79 3f7pA1 ARG 62 HB3 -0.00 -0.02 0.12 -0.04 1.80 1.86 3f7pA1 ARG 62 HG2 -0.00 0.26 0.00 -0.04 1.67 1.89 3f7pA1 ARG 62 HG3 -0.00 -0.00 -0.11 -0.04 1.67 1.52 3f7pA1 ARG 62 HD2 -0.00 -0.10 0.11 -0.04 3.22 3.19 3f7pA1 ARG 62 HD3 -0.00 0.03 0.04 -0.04 3.22 3.25 3f7pA1 ILE 63 H -0.00 0.12 0.13 -0.55 8.25 7.95 3f7pA1 ILE 63 HA -0.00 0.05 0.49 -0.75 4.18 3.96 3f7pA1 ILE 63 HB -0.00 0.09 -0.01 -0.04 1.89 1.93 3f7pA1 ILE 63 HG12 -0.00 0.03 0.06 -0.04 1.49 1.54 3f7pA1 ILE 63 HG13 -0.00 -0.09 0.19 -0.04 1.21 1.27 3f7pA1 ILE 63 HG23 0.00 -0.01 0.05 -0.04 0.93 0.94 3f7pA1 ILE 63 HD13 0.00 0.01 0.03 -0.04 0.88 0.88 3f7pA1 ALA 64 H -0.00 0.09 0.17 -0.55 8.40 8.11 3f7pA1 ALA 64 HA -0.01 0.03 0.40 -0.75 4.34 4.01 3f7pA1 ALA 64 HB3 -0.00 0.00 0.09 -0.04 1.41 1.46 3f7pA1 ASP 65 H -0.02 0.07 0.18 -0.55 8.40 8.09 3f7pA1 ASP 65 HA -0.01 0.19 0.40 -0.75 4.63 4.45 3f7pA1 ASP 65 HB2 -0.02 0.11 0.19 -0.04 2.71 2.95 3f7pA1 ASP 65 HB3 -0.03 -0.17 0.13 -0.04 2.70 2.59 3f7pA1 GLU 66 H -0.01 0.24 0.22 -0.55 8.60 8.50 3f7pA1 GLU 66 HA -0.01 0.12 0.44 -0.75 4.29 4.08 3f7pA1 GLU 66 HB2 -0.01 0.00 0.17 -0.04 2.09 2.22 3f7pA1 GLU 66 HB3 -0.01 0.04 0.01 -0.04 1.99 1.99 3f7pA1 GLU 66 HG2 -0.00 0.05 0.08 -0.04 2.34 2.42 3f7pA1 GLU 66 HG3 -0.00 0.06 0.05 -0.04 2.34 2.41 3f7pA1 ARG 67 H -0.03 0.10 -0.23 -0.55 8.46 7.75 3f7pA1 ARG 67 HA -0.05 0.10 0.46 -0.75 4.34 4.10 3f7pA1 ARG 67 HB2 -0.04 -0.01 0.07 -0.04 1.90 1.88 3f7pA1 ARG 67 HB3 -0.07 -0.03 0.01 -0.04 1.80 1.67 3f7pA1 ARG 67 HG2 -0.04 -0.04 -0.10 -0.04 1.67 1.45 3f7pA1 ARG 67 HG3 -0.02 0.02 -0.00 -0.04 1.67 1.62 3f7pA1 ARG 67 HD2 -0.01 0.39 0.03 -0.04 3.22 3.60 3f7pA1 ARG 67 HD3 -0.02 -0.10 0.04 -0.04 3.22 3.10 3f7pA1 ASP 68 H -0.04 0.33 -0.28 -0.55 8.40 7.86 3f7pA1 ASP 68 HA -0.10 0.05 0.58 -0.75 4.63 4.41 3f7pA1 ASP 68 HB2 -0.02 0.16 0.09 -0.04 2.71 2.90 3f7pA1 ASP 68 HB3 -0.00 0.01 0.01 -0.04 2.70 2.68 3f7pA1 ARG 69 H -0.03 0.34 -0.19 -0.55 8.46 8.03 3f7pA1 ARG 69 HA -0.02 0.05 0.50 -0.75 4.34 4.12 3f7pA1 ARG 69 HB2 -0.01 0.01 0.08 -0.04 1.90 1.94 3f7pA1 ARG 69 HB3 -0.02 0.15 0.14 -0.04 1.80 2.03 3f7pA1 ARG 69 HG2 -0.03 -0.02 -0.07 -0.04 1.67 1.51 3f7pA1 ARG 69 HG3 -0.01 -0.02 0.04 -0.04 1.67 1.64 3f7pA1 ARG 69 HD2 -0.01 0.01 -0.02 -0.04 3.22 3.16 3f7pA1 ARG 69 HD3 -0.01 0.00 -0.00 -0.04 3.22 3.17 3f7pA1 VAL 70 H -0.06 0.38 -0.18 -0.55 8.24 7.82 3f7pA1 VAL 70 HA -0.07 0.10 0.47 -0.75 4.13 3.88 3f7pA1 VAL 70 HB -0.04 0.04 0.10 -0.04 2.12 2.17 3f7pA1 VAL 70 HG13 -0.06 0.12 0.20 -0.04 0.97 1.20 3f7pA1 VAL 70 HG23 -0.06 0.01 -0.07 -0.04 0.95 0.78 3f7pA1 GLN 71 H -0.16 0.55 -0.05 -0.55 8.47 8.27 3f7pA1 GLN 71 HA -0.36 0.01 0.46 -0.75 4.36 3.71 3f7pA1 GLN 71 HB2 -0.31 -0.01 0.15 -0.04 2.15 1.94 3f7pA1 GLN 71 HB3 -0.30 0.06 0.16 -0.04 2.02 1.89 3f7pA1 GLN 71 HG2 -1.21 0.04 -0.19 -0.04 2.40 0.99 3f7pA1 GLN 71 HG3 -1.14 -0.04 -0.01 -0.04 2.39 1.16 3f7pA1 GLN 71 HE21 -0.27 0.01 -0.03 -0.04 6.97 6.64 3f7pA1 GLN 71 HE22 -0.31 -0.07 -0.01 -0.04 7.69 7.26 3f7pA1 LYS 72 H -0.17 0.52 -0.30 -0.55 8.42 7.91 3f7pA1 LYS 72 HA -0.17 0.01 0.41 -0.75 4.32 3.81 3f7pA1 LYS 72 HB2 -0.06 0.03 0.11 -0.04 1.87 1.91 3f7pA1 LYS 72 HB3 -0.12 0.17 0.12 -0.04 1.79 1.91 3f7pA1 LYS 72 HG2 -0.26 -0.01 -0.10 -0.04 1.46 1.05 3f7pA1 LYS 72 HG3 -0.56 -0.06 0.02 -0.04 1.46 0.82 3f7pA1 LYS 72 HD2 -0.47 0.02 -0.00 -0.04 1.69 1.19 3f7pA1 LYS 72 HD3 -0.24 0.09 -0.02 -0.04 1.68 1.47 3f7pA1 LYS 72 HE2 -0.44 -0.12 0.05 -0.04 2.99 2.45 3f7pA1 LYS 72 HE3 -1.65 -0.08 -0.00 -0.04 2.99 1.22 3f7pA1 LYS 73 H -0.10 0.31 -0.31 -0.55 8.42 7.76 3f7pA1 LYS 73 HA -0.05 0.04 0.48 -0.75 4.32 4.04 3f7pA1 LYS 73 HB2 -0.05 0.02 0.13 -0.04 1.87 1.92 3f7pA1 LYS 73 HB3 -0.06 0.04 0.20 -0.04 1.79 1.93 3f7pA1 LYS 73 HG2 -0.03 0.10 -0.11 -0.04 1.46 1.38 3f7pA1 LYS 73 HG3 -0.03 -0.03 0.07 -0.04 1.46 1.43 3f7pA1 LYS 73 HD2 -0.03 0.02 -0.03 -0.04 1.69 1.61 3f7pA1 LYS 73 HD3 -0.03 -0.02 0.00 -0.04 1.68 1.60 3f7pA1 LYS 73 HE2 -0.04 0.01 -0.01 -0.04 2.99 2.91 3f7pA1 LYS 73 HE3 -0.05 0.03 0.05 -0.04 2.99 2.98 3f7pA1 THR 74 H -0.07 0.66 0.05 -0.55 8.28 8.37 3f7pA1 THR 74 HA 0.04 0.21 0.50 -0.75 4.39 4.38 3f7pA1 THR 74 HB -0.02 -0.02 0.16 -0.04 4.32 4.41 3f7pA1 THR 74 HG23 0.17 -0.01 -0.12 -0.04 1.22 1.21 3f7pA1 PHE 75 H 0.10 0.66 -0.13 -0.55 8.34 8.42 3f7pA1 PHE 75 HA 0.11 0.04 0.29 -0.75 4.62 4.30 3f7pA1 PHE 75 HB2 0.03 0.06 0.10 -0.04 3.15 3.30 3f7pA1 PHE 75 HB3 0.09 -0.05 -0.01 -0.04 3.06 3.05 3f7pA1 PHE 75 HD2 0.04 -0.05 -0.07 -0.04 7.28 7.16 3f7pA1 PHE 75 HE2 0.05 0.03 -0.11 -0.04 7.38 7.31 3f7pA1 PHE 75 HZ -0.10 -0.07 -0.06 -0.04 7.32 7.04 3f7pA1 THR 76 H 0.12 0.37 -0.48 -0.55 8.28 7.75 3f7pA1 THR 76 HA 0.09 -0.04 0.42 -0.75 4.39 4.10 3f7pA1 THR 76 HB 0.00 0.15 0.19 -0.04 4.32 4.62 3f7pA1 THR 76 HG23 -0.06 -0.02 -0.16 -0.04 1.22 0.94 3f7pA1 LYS 77 H 0.08 0.65 0.03 -0.55 8.42 8.63 3f7pA1 LYS 77 HA 0.02 -0.00 0.38 -0.75 4.32 3.95 3f7pA1 LYS 77 HB2 0.06 0.13 0.20 -0.04 1.87 2.22 3f7pA1 LYS 77 HB3 0.03 -0.01 -0.09 -0.04 1.79 1.68 3f7pA1 LYS 77 HG2 0.00 -0.02 0.01 -0.04 1.46 1.42 3f7pA1 LYS 77 HG3 0.01 -0.09 0.06 -0.04 1.46 1.40 3f7pA1 LYS 77 HD2 -0.02 0.01 -0.05 -0.04 1.69 1.59 3f7pA1 LYS 77 HD3 -0.03 0.14 0.07 -0.04 1.68 1.81 3f7pA1 LYS 77 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 3f7pA1 LYS 77 HE3 -0.02 -0.10 -0.03 -0.04 2.99 2.81 3f7pA1 TRP 78 H 0.30 0.51 -0.27 -0.55 7.97 7.96 3f7pA1 TRP 78 HA -0.09 0.07 0.46 -0.75 4.62 4.30 3f7pA1 TRP 78 HB2 0.04 0.02 0.03 -0.04 3.23 3.28 3f7pA1 TRP 78 HB3 0.03 0.05 0.08 -0.04 3.23 3.35 3f7pA1 TRP 78 HD1 -0.00 0.01 -0.04 -0.04 7.22 7.15 3f7pA1 TRP 78 HE1 0.10 0.07 -0.04 -0.04 10.20 10.29 3f7pA1 TRP 78 HE3 -0.00 0.03 -0.17 -0.04 7.59 7.40 3f7pA1 TRP 78 HZ2 0.07 0.07 -0.06 -0.04 7.44 7.48 3f7pA1 TRP 78 HZ3 -0.02 -0.05 -0.09 -0.04 7.13 6.93 3f7pA1 TRP 78 HH2 -0.05 0.04 -0.17 -0.04 7.19 6.96 3f7pA1 VAL 79 H 0.30 0.55 -0.08 -0.55 8.24 8.46 3f7pA1 VAL 79 HA -0.08 0.05 0.41 -0.75 4.13 3.76 3f7pA1 VAL 79 HB 0.08 0.07 0.17 -0.04 2.12 2.40 3f7pA1 VAL 79 HG13 0.02 -0.04 -0.13 -0.04 0.97 0.78 3f7pA1 VAL 79 HG23 0.33 0.06 0.05 -0.04 0.95 1.35 3f7pA1 ASN 80 H -0.05 0.64 -0.14 -0.55 8.53 8.44 3f7pA1 ASN 80 HA -0.09 -0.06 0.46 -0.75 4.76 4.31 3f7pA1 ASN 80 HB2 -0.04 0.13 0.12 -0.04 2.88 3.05 3f7pA1 ASN 80 HB3 0.03 0.01 0.01 -0.04 2.79 2.80 3f7pA1 ASN 80 HD21 -0.49 0.25 0.05 -0.04 7.03 6.80 3f7pA1 ASN 80 HD22 -0.06 -0.01 -0.04 -0.04 7.74 7.59 3f7pA1 LYS 81 H -0.22 0.46 -0.24 -0.55 8.42 7.86 3f7pA1 LYS 81 HA -0.19 -0.01 0.41 -0.75 4.32 3.78 3f7pA1 LYS 81 HB2 -0.28 0.04 0.17 -0.04 1.87 1.75 3f7pA1 LYS 81 HB3 -0.85 0.21 0.14 -0.04 1.79 1.25 3f7pA1 LYS 81 HG2 -0.35 0.02 -0.03 -0.04 1.46 1.06 3f7pA1 LYS 81 HG3 -0.21 -0.07 0.06 -0.04 1.46 1.19 3f7pA1 LYS 81 HD2 -0.45 -0.05 0.02 -0.04 1.69 1.17 3f7pA1 LYS 81 HD3 -0.76 0.03 -0.06 -0.04 1.68 0.84 3f7pA1 LYS 81 HE2 -0.09 -0.13 0.07 -0.04 2.99 2.79 3f7pA1 LYS 81 HE3 -0.08 0.05 0.03 -0.04 2.99 2.94 3f7pA1 HIS 82 H -0.50 0.29 -0.38 -0.55 8.41 7.28 3f7pA1 HIS 82 HA -0.24 0.17 0.71 -0.75 4.63 4.52 3f7pA1 HIS 82 HB2 -0.43 0.02 0.11 -0.04 3.26 2.92 3f7pA1 HIS 82 HB3 -0.32 -0.01 0.01 -0.04 3.20 2.84 3f7pA1 HIS 82 HD2 -2.02 -0.08 -0.06 -0.04 6.97 4.77 3f7pA1 HIS 82 HE1 -0.25 0.04 -0.04 -0.04 7.75 7.45 3f7pA1 LEU 83 H -0.11 0.53 0.12 -0.55 8.37 8.37 3f7pA1 LEU 83 HA -0.06 0.04 0.30 -0.75 4.35 3.88 3f7pA1 LEU 83 HB2 -0.05 0.03 0.02 -0.04 1.64 1.60 3f7pA1 LEU 83 HB3 -0.03 -0.14 -0.25 -0.04 1.64 1.19 3f7pA1 LEU 83 HG -0.06 0.23 -0.01 -0.04 1.64 1.75 3f7pA1 LEU 83 HD13 -0.04 -0.07 -0.21 -0.04 0.93 0.58 3f7pA1 LEU 83 HD23 -0.04 0.01 -0.11 -0.04 0.89 0.71 3f7pA1 ILE 84 H -0.05 0.59 -0.16 -0.55 8.25 8.08 3f7pA1 ILE 84 HA -0.01 -0.01 0.47 -0.75 4.18 3.87 3f7pA1 ILE 84 HB 0.00 0.06 0.11 -0.04 1.89 2.02 3f7pA1 ILE 84 HG12 -0.02 -0.03 0.09 -0.04 1.49 1.49 3f7pA1 ILE 84 HG13 -0.01 -0.04 0.03 -0.04 1.21 1.15 3f7pA1 ILE 84 HG23 -0.05 0.05 -0.14 -0.04 0.93 0.75 3f7pA1 ILE 84 HD13 -0.03 -0.01 -0.02 -0.04 0.88 0.78 3f7pA1 LYS 85 H -0.05 0.40 -0.48 -0.55 8.42 7.73 3f7pA1 LYS 85 HA -0.04 0.03 0.48 -0.75 4.32 4.04 3f7pA1 LYS 85 HB2 -0.05 0.24 0.14 -0.04 1.87 2.16 3f7pA1 LYS 85 HB3 -0.04 -0.05 0.08 -0.04 1.79 1.74 3f7pA1 LYS 85 HG2 -0.04 -0.06 0.08 -0.04 1.46 1.40 3f7pA1 LYS 85 HG3 -0.05 0.07 0.12 -0.04 1.46 1.57 3f7pA1 LYS 85 HD2 -0.02 0.01 0.10 -0.04 1.69 1.75 3f7pA1 LYS 85 HD3 -0.04 -0.02 0.06 -0.04 1.68 1.64 3f7pA1 LYS 85 HE2 -0.02 -0.05 0.04 -0.04 2.99 2.92 3f7pA1 LYS 85 HE3 -0.03 0.08 0.06 -0.04 2.99 3.06 3f7pA1 ALA 86 H -0.04 0.47 -0.36 -0.55 8.40 7.92 3f7pA1 ALA 86 HA -0.04 0.17 0.81 -0.75 4.34 4.53 3f7pA1 ALA 86 HB3 -0.04 -0.02 0.06 -0.04 1.41 1.37 3f7pA1 GLN 87 H -0.03 0.47 -0.37 -0.55 8.47 7.99 3f7pA1 GLN 87 HA -0.02 0.05 0.32 -0.75 4.36 3.96 3f7pA1 GLN 87 HB2 -0.02 0.18 -0.04 -0.04 2.15 2.22 3f7pA1 GLN 87 HB3 -0.02 -0.10 0.20 -0.04 2.02 2.05 3f7pA1 GLN 87 HG2 -0.02 -0.08 -0.03 -0.04 2.40 2.23 3f7pA1 GLN 87 HG3 -0.02 0.06 -0.00 -0.04 2.39 2.38 3f7pA1 GLN 87 HE21 -0.03 0.06 -0.03 -0.04 6.97 6.94 3f7pA1 GLN 87 HE22 -0.02 -0.03 -0.04 -0.04 7.69 7.56 3f7pA1 ARG 88 H -0.01 0.47 -0.21 -0.55 8.46 8.16 3f7pA1 ARG 88 HA 0.02 0.17 0.83 -0.75 4.34 4.61 3f7pA1 ARG 88 HB2 -0.01 0.00 -0.12 -0.04 1.90 1.73 3f7pA1 ARG 88 HB3 0.00 -0.14 -0.05 -0.04 1.80 1.56 3f7pA1 ARG 88 HG2 -0.02 0.27 -0.50 -0.04 1.67 1.38 3f7pA1 ARG 88 HG3 -0.02 -0.05 -0.12 -0.04 1.67 1.43 3f7pA1 ARG 88 HD2 -0.01 -0.14 -0.06 -0.04 3.22 2.97 3f7pA1 ARG 88 HD3 -0.01 0.08 -0.01 -0.04 3.22 3.24 3f7pA1 HIS 89 H 0.06 0.23 0.04 -0.55 8.41 8.21 3f7pA1 HIS 89 HA -0.02 0.08 0.66 -0.75 4.63 4.59 3f7pA1 HIS 89 HB2 -0.03 0.12 -0.39 -0.04 3.26 2.93 3f7pA1 HIS 89 HB3 -0.02 -0.04 -0.08 -0.04 3.20 3.02 3f7pA1 HIS 89 HD2 -0.03 0.05 0.01 -0.04 6.97 6.95 3f7pA1 HIS 89 HE1 -0.01 -0.08 -0.09 -0.04 7.75 7.53 3f7pA1 ILE 90 H -0.35 0.19 0.07 -0.55 8.25 7.61 3f7pA1 ILE 90 HA -0.07 0.18 0.93 -0.75 4.18 4.46 3f7pA1 ILE 90 HB -0.06 -0.15 -0.08 -0.04 1.89 1.56 3f7pA1 ILE 90 HG12 -0.14 0.05 -0.04 -0.04 1.49 1.32 3f7pA1 ILE 90 HG13 -0.16 0.04 -0.33 -0.04 1.21 0.72 3f7pA1 ILE 90 HG23 -0.03 0.03 -0.16 -0.04 0.93 0.73 3f7pA1 ILE 90 HD13 -0.01 -0.01 -0.16 -0.04 0.88 0.66 3f7pA1 SER 91 H -0.04 -0.03 0.13 -0.55 8.46 7.97 3f7pA1 SER 91 HA -0.04 0.28 0.83 -0.75 4.49 4.81 3f7pA1 SER 91 HB2 0.05 0.05 -0.04 -0.04 3.95 3.97 3f7pA1 SER 91 HB3 0.01 -0.05 0.04 -0.04 3.93 3.89 3f7pA1 ASP 92 H -0.02 0.05 0.14 -0.55 8.40 8.02 3f7pA1 ASP 92 HA -0.08 0.27 0.92 -0.75 4.63 4.98 3f7pA1 ASP 92 HB2 -0.01 0.14 -0.02 -0.04 2.71 2.78 3f7pA1 ASP 92 HB3 0.01 -0.06 0.17 -0.04 2.70 2.77 3f7pA1 LEU 93 H -0.18 0.33 0.05 -0.55 8.37 8.02 3f7pA1 LEU 93 HA -0.02 0.07 0.27 -0.75 4.35 3.92 3f7pA1 LEU 93 HB2 -0.09 0.10 0.05 -0.04 1.64 1.66 3f7pA1 LEU 93 HB3 -0.35 0.00 0.01 -0.04 1.64 1.27 3f7pA1 LEU 93 HG 0.11 -0.03 -0.07 -0.04 1.64 1.61 3f7pA1 LEU 93 HD13 0.10 0.01 -0.11 -0.04 0.93 0.90 3f7pA1 LEU 93 HD23 0.15 0.02 -0.08 -0.04 0.89 0.94 3f7pA1 TYR 94 H -0.12 0.06 -0.37 -0.55 8.29 7.31 3f7pA1 TYR 94 HA 0.03 0.20 0.57 -0.75 4.56 4.60 3f7pA1 TYR 94 HB2 0.01 -0.00 0.01 -0.04 3.06 3.04 3f7pA1 TYR 94 HB3 0.01 0.13 0.14 -0.04 2.98 3.22 3f7pA1 TYR 94 HD2 0.02 0.07 -0.12 -0.04 7.15 7.08 3f7pA1 TYR 94 HE2 0.00 0.04 -0.03 -0.04 6.85 6.82 3f7pA1 GLU 95 H 0.07 0.26 -0.36 -0.55 8.60 8.02 3f7pA1 GLU 95 HA 0.07 0.29 0.94 -0.75 4.29 4.84 3f7pA1 GLU 95 HB2 0.04 -0.05 0.10 -0.04 2.09 2.14 3f7pA1 GLU 95 HB3 0.04 0.03 -0.01 -0.04 1.99 2.01 3f7pA1 GLU 95 HG2 0.08 -0.12 -0.24 -0.04 2.34 2.02 3f7pA1 GLU 95 HG3 0.05 0.02 -0.04 -0.04 2.34 2.32 3f7pA1 ASP 96 H 0.03 0.64 0.25 -0.55 8.40 8.77 3f7pA1 ASP 96 HA 0.03 0.14 0.33 -0.75 4.63 4.38 3f7pA1 ASP 96 HB2 -0.00 0.02 0.08 -0.04 2.71 2.76 3f7pA1 ASP 96 HB3 0.01 0.08 0.20 -0.04 2.70 2.94 3f7pA1 LEU 97 H 0.05 0.15 -0.62 -0.55 8.37 7.41 3f7pA1 LEU 97 HA 0.04 0.11 0.92 -0.75 4.35 4.67 3f7pA1 LEU 97 HB2 0.07 0.13 -0.07 -0.04 1.64 1.73 3f7pA1 LEU 97 HB3 0.06 -0.02 0.05 -0.04 1.64 1.68 3f7pA1 LEU 97 HG 0.05 -0.11 -0.24 -0.04 1.64 1.31 3f7pA1 LEU 97 HD13 0.10 0.04 -0.05 -0.04 0.93 0.98 3f7pA1 LEU 97 HD23 0.04 0.02 -0.17 -0.04 0.89 0.75 3f7pA1 ARG 98 H 0.05 0.46 -0.10 -0.55 8.46 8.31 3f7pA1 ARG 98 HA 0.03 0.19 0.14 -0.75 4.34 3.95 3f7pA1 ARG 98 HB2 0.03 -0.04 0.07 -0.04 1.90 1.92 3f7pA1 ARG 98 HB3 0.03 0.29 0.15 -0.04 1.80 2.23 3f7pA1 ARG 98 HG2 0.06 -0.15 -0.09 -0.04 1.67 1.45 3f7pA1 ARG 98 HG3 0.05 0.50 0.25 -0.04 1.67 2.42 3f7pA1 ARG 98 HD2 0.05 -0.01 -0.11 -0.04 3.22 3.11 3f7pA1 ARG 98 HD3 0.05 -0.06 0.12 -0.04 3.22 3.28 3f7pA1 ASP 99 H 0.03 0.08 -0.26 -0.55 8.40 7.71 3f7pA1 ASP 99 HA 0.00 0.16 0.60 -0.75 4.63 4.64 3f7pA1 ASP 99 HB2 0.05 0.05 0.12 -0.04 2.71 2.89 3f7pA1 ASP 99 HB3 0.05 0.06 0.05 -0.04 2.70 2.82 3f7pA1 GLY 100 H 0.00 0.29 -0.49 -0.55 8.43 7.69 3f7pA1 GLY 100 HA2 -0.01 0.07 0.23 -0.51 4.01 3.78 3f7pA1 GLY 100 HA3 -0.08 0.15 0.22 -0.51 4.01 3.79 3f7pA1 HIS 101 H -0.08 0.19 -0.66 -0.55 8.41 7.31 3f7pA1 HIS 101 HA -0.00 0.12 0.30 -0.75 4.63 4.29 3f7pA1 HIS 101 HB2 0.00 -0.07 0.02 -0.04 3.26 3.18 3f7pA1 HIS 101 HB3 -0.01 0.08 -0.05 -0.04 3.20 3.17 3f7pA1 HIS 101 HD2 -0.01 0.01 -0.02 -0.04 6.97 6.91 3f7pA1 HIS 101 HE1 -0.00 0.03 0.02 -0.04 7.75 7.76 3f7pA1 ASN 102 H 0.08 0.07 -0.19 -0.55 8.53 7.94 3f7pA1 ASN 102 HA 0.03 0.14 0.39 -0.75 4.76 4.56 3f7pA1 ASN 102 HB2 0.03 0.03 0.10 -0.04 2.88 3.00 3f7pA1 ASN 102 HB3 0.01 0.01 -0.10 -0.04 2.79 2.68 3f7pA1 ASN 102 HD21 0.02 -0.02 0.00 -0.04 7.03 6.99 3f7pA1 ASN 102 HD22 0.03 0.58 0.16 -0.04 7.74 8.46 3f7pA1 LEU 103 H 0.02 0.05 -0.26 -0.55 8.37 7.64 3f7pA1 LEU 103 HA 0.02 0.05 0.42 -0.75 4.35 4.09 3f7pA1 LEU 103 HB2 0.01 0.09 0.12 -0.04 1.64 1.82 3f7pA1 LEU 103 HB3 0.02 0.03 -0.04 -0.04 1.64 1.61 3f7pA1 LEU 103 HG 0.04 -0.07 0.04 -0.04 1.64 1.61 3f7pA1 LEU 103 HD13 0.04 -0.00 -0.01 -0.04 0.93 0.92 3f7pA1 LEU 103 HD23 0.06 0.01 -0.03 -0.04 0.89 0.88 3f7pA1 ILE 104 H -0.00 0.53 -0.18 -0.55 8.25 8.04 3f7pA1 ILE 104 HA -0.07 0.02 0.38 -0.75 4.18 3.76 3f7pA1 ILE 104 HB 0.02 0.09 0.16 -0.04 1.89 2.12 3f7pA1 ILE 104 HG12 -0.03 -0.05 -0.01 -0.04 1.49 1.36 3f7pA1 ILE 104 HG13 -0.02 0.05 0.04 -0.04 1.21 1.25 3f7pA1 ILE 104 HG23 -0.04 0.01 -0.16 -0.04 0.93 0.71 3f7pA1 ILE 104 HD13 -0.01 0.05 0.03 -0.04 0.88 0.91 3f7pA1 SER 105 H -0.01 0.56 -0.05 -0.55 8.46 8.41 3f7pA1 SER 105 HA -0.06 0.03 0.31 -0.75 4.49 4.02 3f7pA1 SER 105 HB2 -0.02 -0.01 0.11 -0.04 3.95 3.99 3f7pA1 SER 105 HB3 -0.04 0.03 -0.00 -0.04 3.93 3.87 3f7pA1 LEU 106 H -0.05 0.60 -0.25 -0.55 8.37 8.12 3f7pA1 LEU 106 HA -0.12 0.03 0.35 -0.75 4.35 3.85 3f7pA1 LEU 106 HB2 -0.04 -0.03 0.08 -0.04 1.64 1.61 3f7pA1 LEU 106 HB3 -0.04 0.09 0.16 -0.04 1.64 1.81 3f7pA1 LEU 106 HG -0.11 0.03 -0.22 -0.04 1.64 1.30 3f7pA1 LEU 106 HD13 -0.17 0.00 0.03 -0.04 0.93 0.76 3f7pA1 LEU 106 HD23 0.15 -0.03 -0.04 -0.04 0.89 0.93 3f7pA1 LEU 107 H -0.13 0.55 -0.15 -0.55 8.37 8.09 3f7pA1 LEU 107 HA -0.34 0.01 0.41 -0.75 4.35 3.67 3f7pA1 LEU 107 HB2 -0.25 0.13 0.14 -0.04 1.64 1.62 3f7pA1 LEU 107 HB3 -0.42 -0.05 0.00 -0.04 1.64 1.13 3f7pA1 LEU 107 HG -0.07 0.26 0.10 -0.04 1.64 1.89 3f7pA1 LEU 107 HD13 0.01 -0.04 -0.02 -0.04 0.93 0.84 3f7pA1 LEU 107 HD23 0.04 -0.02 -0.04 -0.04 0.89 0.83 3f7pA1 GLU 108 H -0.17 0.53 -0.15 -0.55 8.60 8.26 3f7pA1 GLU 108 HA -0.17 0.04 0.37 -0.75 4.29 3.78 3f7pA1 GLU 108 HB2 -0.10 0.08 0.16 -0.04 2.09 2.20 3f7pA1 GLU 108 HB3 -0.09 0.04 0.01 -0.04 1.99 1.91 3f7pA1 GLU 108 HG2 -0.11 -0.03 -0.00 -0.04 2.34 2.16 3f7pA1 GLU 108 HG3 -0.13 0.09 -0.06 -0.04 2.34 2.20 3f7pA1 VAL 109 H -0.16 0.52 -0.18 -0.55 8.24 7.87 3f7pA1 VAL 109 HA -0.11 0.05 0.40 -0.75 4.13 3.71 3f7pA1 VAL 109 HB -0.19 0.07 0.11 -0.04 2.12 2.08 3f7pA1 VAL 109 HG13 -0.14 0.02 -0.08 -0.04 0.97 0.73 3f7pA1 VAL 109 HG23 -0.09 0.04 -0.03 -0.04 0.95 0.84 3f7pA1 LEU 110 H -0.33 0.39 -0.14 -0.55 8.37 7.75 3f7pA1 LEU 110 HA -0.38 0.07 0.37 -0.75 4.35 3.66 3f7pA1 LEU 110 HB2 -0.82 -0.02 0.15 -0.04 1.64 0.91 3f7pA1 LEU 110 HB3 -1.16 -0.03 -0.01 -0.04 1.64 0.40 3f7pA1 LEU 110 HG -0.54 0.15 0.04 -0.04 1.64 1.25 3f7pA1 LEU 110 HD13 -0.39 -0.05 -0.11 -0.04 0.93 0.34 3f7pA1 LEU 110 HD23 -0.87 -0.00 -0.03 -0.04 0.89 -0.05 3f7pA1 SER 111 H -0.18 0.48 -0.07 -0.55 8.46 8.14 3f7pA1 SER 111 HA 0.15 0.19 0.74 -0.75 4.49 4.81 3f7pA1 SER 111 HB2 0.30 -0.03 0.09 -0.04 3.95 4.27 3f7pA1 SER 111 HB3 0.39 -0.03 0.04 -0.04 3.93 4.29 3f7pA1 GLY 112 H -0.08 0.36 -0.20 -0.55 8.43 7.96 3f7pA1 GLY 112 HA2 -0.04 0.09 0.37 -0.51 4.01 3.91 3f7pA1 GLY 112 HA3 -0.01 0.02 0.54 -0.51 4.01 4.05 3f7pA1 ASP 113 H -0.01 -0.05 -0.42 -0.55 8.40 7.37 3f7pA1 ASP 113 HA 0.02 0.11 0.52 -0.75 4.63 4.52 3f7pA1 ASP 113 HB2 0.02 -0.01 -0.05 -0.04 2.71 2.63 3f7pA1 ASP 113 HB3 0.06 -0.06 -0.03 -0.04 2.70 2.63 3f7pA1 SER 114 H 0.00 0.16 0.09 -0.55 8.46 8.18 3f7pA1 SER 114 HA -0.05 0.17 0.88 -0.75 4.49 4.73 3f7pA1 SER 114 HB2 -0.01 0.06 -0.07 -0.04 3.95 3.89 3f7pA1 SER 114 HB3 -0.01 -0.05 0.10 -0.04 3.93 3.93 3f7pA1 LEU 115 H -0.06 0.19 0.07 -0.55 8.37 8.03 3f7pA1 LEU 115 HA -0.01 0.21 0.91 -0.75 4.35 4.70 3f7pA1 LEU 115 HB2 -0.10 -0.03 0.00 -0.04 1.64 1.48 3f7pA1 LEU 115 HB3 -0.04 0.08 -0.02 -0.04 1.64 1.62 3f7pA1 LEU 115 HG -0.07 0.03 -0.11 -0.04 1.64 1.44 3f7pA1 LEU 115 HD13 -0.36 -0.03 -0.44 -0.04 0.93 0.06 3f7pA1 LEU 115 HD23 -0.34 -0.00 -0.08 -0.04 0.89 0.42 3f7pA1 PRO 116 HA 0.00 0.07 0.45 -0.51 4.44 4.45 3f7pA1 PRO 116 HB2 0.01 -0.03 -0.08 -0.04 2.28 2.15 3f7pA1 PRO 116 HB3 0.01 0.04 0.08 -0.04 2.02 2.11 3f7pA1 PRO 116 HG2 0.02 -0.02 0.04 -0.04 2.03 2.03 3f7pA1 PRO 116 HG3 0.02 0.05 0.05 -0.04 2.03 2.11 3f7pA1 PRO 116 HD2 0.02 0.10 0.24 -0.04 3.68 3.99 3f7pA1 PRO 116 HD3 0.01 0.19 0.17 -0.04 3.65 3.98 3f7pA1 ARG 117 H 0.02 0.21 0.11 -0.55 8.46 8.25 3f7pA1 ARG 117 HA 0.02 0.11 0.64 -0.75 4.34 4.36 3f7pA1 ARG 117 HB2 0.08 -0.05 -0.02 -0.04 1.90 1.88 3f7pA1 ARG 117 HB3 0.12 -0.00 0.00 -0.04 1.80 1.87 3f7pA1 ARG 117 HG2 0.03 0.23 -0.56 -0.04 1.67 1.33 3f7pA1 ARG 117 HG3 0.02 -0.03 -0.14 -0.04 1.67 1.48 3f7pA1 ARG 117 HD2 0.02 0.05 -0.05 -0.04 3.22 3.19 3f7pA1 ARG 117 HD3 0.06 -0.06 -0.05 -0.04 3.22 3.13 3f7pA1 GLU 118 H 0.01 0.18 -0.01 -0.55 8.60 8.24 3f7pA1 GLU 118 HA 0.02 0.12 0.68 -0.75 4.29 4.36 3f7pA1 GLU 118 HB2 0.05 -0.01 0.12 -0.04 2.09 2.21 3f7pA1 GLU 118 HB3 0.10 -0.04 0.02 -0.04 1.99 2.03 3f7pA1 GLU 118 HG2 0.04 0.02 -0.11 -0.04 2.34 2.24 3f7pA1 GLU 118 HG3 0.06 -0.00 -0.07 -0.04 2.34 2.29 3f7pA1 LYS 119 H -0.01 0.28 0.10 -0.55 8.42 8.24 3f7pA1 LYS 119 HA 0.09 0.07 0.48 -0.75 4.32 4.21 3f7pA1 LYS 119 HB2 0.02 0.06 0.11 -0.04 1.87 2.01 3f7pA1 LYS 119 HB3 -0.03 -0.02 0.19 -0.04 1.79 1.89 3f7pA1 LYS 119 HG2 -0.01 0.01 -0.05 -0.04 1.46 1.37 3f7pA1 LYS 119 HG3 0.06 -0.00 0.01 -0.04 1.46 1.48 3f7pA1 LYS 119 HD2 -0.01 0.02 0.01 -0.04 1.69 1.67 3f7pA1 LYS 119 HD3 -0.02 -0.01 0.01 -0.04 1.68 1.61 3f7pA1 LYS 119 HE2 -0.06 -0.01 -0.01 -0.04 2.99 2.87 3f7pA1 LYS 119 HE3 -0.10 0.00 -0.01 -0.04 2.99 2.84 3f7pA1 GLY 120 H -0.03 0.28 0.23 -0.55 8.43 8.36 3f7pA1 GLY 120 HA2 -0.39 0.20 0.74 -0.51 4.01 4.04 3f7pA1 GLY 120 HA3 -0.90 -0.12 0.30 -0.51 4.01 2.79 3f7pA1 ARG 121 H 0.20 -0.16 0.23 -0.55 8.46 8.18 3f7pA1 ARG 121 HA 0.07 0.27 0.95 -0.75 4.34 4.88 3f7pA1 ARG 121 HB2 0.07 -0.04 0.00 -0.04 1.90 1.90 3f7pA1 ARG 121 HB3 0.05 0.05 0.08 -0.04 1.80 1.94 3f7pA1 ARG 121 HG2 0.01 0.14 -0.25 -0.04 1.67 1.53 3f7pA1 ARG 121 HG3 -0.01 -0.12 -0.25 -0.04 1.67 1.26 3f7pA1 ARG 121 HD2 0.00 0.04 -0.06 -0.04 3.22 3.17 3f7pA1 ARG 121 HD3 0.03 -0.03 -0.03 -0.04 3.22 3.15 3f7pA1 MET 122 H 0.36 -0.17 0.19 -0.55 8.47 8.30 3f7pA1 MET 122 HA 0.09 0.32 0.71 -0.75 4.52 4.88 3f7pA1 MET 122 HB2 0.08 -0.09 0.13 -0.04 2.15 2.23 3f7pA1 MET 122 HB3 0.07 -0.05 0.24 -0.04 2.03 2.24 3f7pA1 MET 122 HG2 0.08 0.11 -0.06 -0.04 2.63 2.72 3f7pA1 MET 122 HG3 0.15 -0.04 0.08 -0.04 2.56 2.70 3f7pA1 MET 122 HE3 0.04 0.01 0.04 -0.04 2.10 2.15 3f7pA1 ARG 123 H 0.05 0.21 0.20 -0.55 8.46 8.36 3f7pA1 ARG 123 HA 0.03 0.18 0.47 -0.75 4.34 4.27 3f7pA1 ARG 123 HB2 0.01 0.09 0.14 -0.04 1.90 2.10 3f7pA1 ARG 123 HB3 -0.01 -0.01 0.14 -0.04 1.80 1.88 3f7pA1 ARG 123 HG2 -0.06 -0.03 -0.14 -0.04 1.67 1.40 3f7pA1 ARG 123 HG3 -0.01 0.02 0.06 -0.04 1.67 1.69 3f7pA1 ARG 123 HD2 -0.01 0.06 0.01 -0.04 3.22 3.24 3f7pA1 ARG 123 HD3 -0.03 0.01 0.00 -0.04 3.22 3.16 3f7pA1 PHE 124 H 0.08 0.11 -0.00 -0.55 8.34 7.98 3f7pA1 PHE 124 HA -0.09 0.09 0.37 -0.75 4.62 4.25 3f7pA1 PHE 124 HB2 -0.18 -0.02 0.12 -0.04 3.15 3.04 3f7pA1 PHE 124 HB3 -0.46 0.03 -0.05 -0.04 3.06 2.55 3f7pA1 PHE 124 HD2 -0.09 -0.02 0.03 -0.04 7.28 7.16 3f7pA1 PHE 124 HE2 -0.04 0.03 0.00 -0.04 7.38 7.33 3f7pA1 PHE 124 HZ -0.03 0.04 -0.00 -0.04 7.32 7.29 3f7pA1 HIS 125 H 0.01 0.04 -0.57 -0.55 8.41 7.34 3f7pA1 HIS 125 HA 0.09 0.11 0.50 -0.75 4.63 4.58 3f7pA1 HIS 125 HB2 0.05 0.07 -0.04 -0.04 3.26 3.30 3f7pA1 HIS 125 HB3 0.03 0.19 -0.03 -0.04 3.20 3.33 3f7pA1 HIS 125 HD2 -0.01 0.06 -0.13 -0.04 6.97 6.85 3f7pA1 HIS 125 HE1 -0.01 0.06 0.04 -0.04 7.75 7.80 3f7pA1 LYS 126 H 0.10 0.31 -0.03 -0.55 8.42 8.25 3f7pA1 LYS 126 HA -0.00 0.17 0.56 -0.75 4.32 4.29 3f7pA1 LYS 126 HB2 0.03 0.00 0.26 -0.04 1.87 2.12 3f7pA1 LYS 126 HB3 0.01 0.08 0.05 -0.04 1.79 1.89 3f7pA1 LYS 126 HG2 0.02 -0.06 0.10 -0.04 1.46 1.48 3f7pA1 LYS 126 HG3 0.05 0.08 -0.01 -0.04 1.46 1.54 3f7pA1 LYS 126 HD2 0.03 -0.09 -0.02 -0.04 1.69 1.56 3f7pA1 LYS 126 HD3 0.02 0.16 -0.05 -0.04 1.68 1.77 3f7pA1 LYS 126 HE2 0.04 -0.09 -0.08 -0.04 2.99 2.82 3f7pA1 LYS 126 HE3 0.04 0.01 -0.05 -0.04 2.99 2.95 3f7pA1 LEU 127 H 0.02 0.60 -0.08 -0.55 8.37 8.36 3f7pA1 LEU 127 HA -0.00 -0.01 0.26 -0.75 4.35 3.84 3f7pA1 LEU 127 HB2 -0.03 0.15 0.07 -0.04 1.64 1.78 3f7pA1 LEU 127 HB3 -0.04 -0.07 -0.03 -0.04 1.64 1.46 3f7pA1 LEU 127 HG -0.05 0.16 0.01 -0.04 1.64 1.73 3f7pA1 LEU 127 HD13 -0.17 -0.01 -0.06 -0.04 0.93 0.65 3f7pA1 LEU 127 HD23 -0.03 -0.02 -0.11 -0.04 0.89 0.69 3f7pA1 GLN 128 H 0.09 0.31 -0.35 -0.55 8.47 7.97 3f7pA1 GLN 128 HA 0.07 0.01 0.45 -0.75 4.36 4.13 3f7pA1 GLN 128 HB2 0.15 0.16 0.24 -0.04 2.15 2.66 3f7pA1 GLN 128 HB3 0.10 0.05 0.10 -0.04 2.02 2.23 3f7pA1 GLN 128 HG2 0.10 -0.02 -0.00 -0.04 2.40 2.44 3f7pA1 GLN 128 HG3 0.07 -0.02 0.02 -0.04 2.39 2.42 3f7pA1 GLN 128 HE21 0.15 -0.01 -0.01 -0.04 6.97 7.05 3f7pA1 GLN 128 HE22 0.06 0.00 -0.02 -0.04 7.69 7.70 3f7pA1 ASN 129 H 0.02 0.69 -0.03 -0.55 8.53 8.66 3f7pA1 ASN 129 HA -0.02 -0.04 0.44 -0.75 4.76 4.39 3f7pA1 ASN 129 HB2 -0.10 0.23 0.29 -0.04 2.88 3.26 3f7pA1 ASN 129 HB3 -0.14 -0.12 0.00 -0.04 2.79 2.48 3f7pA1 ASN 129 HD21 -0.46 -0.04 -0.08 -0.04 7.03 6.41 3f7pA1 ASN 129 HD22 -0.78 -0.04 -0.03 -0.04 7.74 6.84 3f7pA1 VAL 130 H -0.01 0.70 -0.07 -0.55 8.24 8.31 3f7pA1 VAL 130 HA 0.00 0.02 0.53 -0.75 4.13 3.92 3f7pA1 VAL 130 HB 0.01 0.02 0.11 -0.04 2.12 2.22 3f7pA1 VAL 130 HG13 0.02 -0.02 -0.03 -0.04 0.97 0.89 3f7pA1 VAL 130 HG23 0.00 0.04 -0.07 -0.04 0.95 0.87 3f7pA1 GLN 131 H 0.02 0.62 -0.17 -0.55 8.47 8.39 3f7pA1 GLN 131 HA 0.02 -0.08 0.39 -0.75 4.36 3.94 3f7pA1 GLN 131 HB2 0.02 0.10 0.19 -0.04 2.15 2.42 3f7pA1 GLN 131 HB3 0.03 0.16 0.12 -0.04 2.02 2.29 3f7pA1 GLN 131 HG2 0.03 -0.01 0.02 -0.04 2.40 2.40 3f7pA1 GLN 131 HG3 0.03 0.01 -0.03 -0.04 2.39 2.36 3f7pA1 GLN 131 HE21 0.02 0.00 0.02 -0.04 6.97 6.97 3f7pA1 GLN 131 HE22 0.03 0.03 0.04 -0.04 7.69 7.74 3f7pA1 ILE 132 H 0.02 0.44 -0.28 -0.55 8.25 7.89 3f7pA1 ILE 132 HA 0.05 0.00 0.44 -0.75 4.18 3.91 3f7pA1 ILE 132 HB 0.01 0.23 0.18 -0.04 1.89 2.27 3f7pA1 ILE 132 HG12 0.03 -0.06 -0.01 -0.04 1.49 1.42 3f7pA1 ILE 132 HG13 0.03 0.26 0.08 -0.04 1.21 1.53 3f7pA1 ILE 132 HG23 0.02 0.05 -0.10 -0.04 0.93 0.86 3f7pA1 ILE 132 HD13 0.01 -0.00 -0.17 -0.04 0.88 0.68 3f7pA1 ALA 133 H 0.02 0.38 -0.15 -0.55 8.40 8.11 3f7pA1 ALA 133 HA 0.05 0.06 0.36 -0.75 4.34 4.06 3f7pA1 ALA 133 HB3 0.03 0.02 0.06 -0.04 1.41 1.48 3f7pA1 LEU 134 H 0.05 0.54 -0.06 -0.55 8.37 8.35 3f7pA1 LEU 134 HA 0.05 0.03 0.36 -0.75 4.35 4.03 3f7pA1 LEU 134 HB2 0.03 0.04 0.12 -0.04 1.64 1.79 3f7pA1 LEU 134 HB3 0.03 -0.01 0.00 -0.04 1.64 1.62 3f7pA1 LEU 134 HG 0.03 0.19 -0.04 -0.04 1.64 1.78 3f7pA1 LEU 134 HD13 0.02 -0.02 -0.19 -0.04 0.93 0.70 3f7pA1 LEU 134 HD23 0.04 -0.01 -0.09 -0.04 0.89 0.79 3f7pA1 ASP 135 H 0.06 0.75 -0.11 -0.55 8.40 8.55 3f7pA1 ASP 135 HA 0.04 -0.03 0.48 -0.75 4.63 4.37 3f7pA1 ASP 135 HB2 0.06 0.15 0.19 -0.04 2.71 3.07 3f7pA1 ASP 135 HB3 0.06 -0.04 0.01 -0.04 2.70 2.69 3f7pA1 TYR 136 H 0.18 0.61 -0.12 -0.55 8.29 8.40 3f7pA1 TYR 136 HA 0.02 -0.01 0.38 -0.75 4.56 4.20 3f7pA1 TYR 136 HB2 0.02 0.02 0.11 -0.04 3.06 3.16 3f7pA1 TYR 136 HB3 0.03 0.15 0.15 -0.04 2.98 3.27 3f7pA1 TYR 136 HD2 0.05 -0.00 -0.13 -0.04 7.15 7.02 3f7pA1 TYR 136 HE2 0.17 0.01 -0.07 -0.04 6.85 6.91 3f7pA1 LEU 137 H 0.15 0.42 -0.25 -0.55 8.37 8.15 3f7pA1 LEU 137 HA -0.07 0.05 0.39 -0.75 4.35 3.96 3f7pA1 LEU 137 HB2 0.03 0.10 0.12 -0.04 1.64 1.85 3f7pA1 LEU 137 HB3 -0.05 -0.04 -0.04 -0.04 1.64 1.46 3f7pA1 LEU 137 HG 0.21 0.13 0.04 -0.04 1.64 1.99 3f7pA1 LEU 137 HD13 0.08 -0.04 -0.08 -0.04 0.93 0.85 3f7pA1 LEU 137 HD23 0.21 -0.00 -0.05 -0.04 0.89 1.01 3f7pA1 ARG 138 H -0.00 0.52 -0.04 -0.55 8.46 8.38 3f7pA1 ARG 138 HA -0.06 0.17 0.35 -0.75 4.34 4.04 3f7pA1 ARG 138 HB2 0.00 0.04 0.18 -0.04 1.90 2.08 3f7pA1 ARG 138 HB3 -0.03 -0.08 0.02 -0.04 1.80 1.68 3f7pA1 ARG 138 HG2 -0.02 0.02 0.08 -0.04 1.67 1.70 3f7pA1 ARG 138 HG3 -0.00 0.18 0.06 -0.04 1.67 1.87 3f7pA1 ARG 138 HD2 0.00 -0.04 -0.02 -0.04 3.22 3.13 3f7pA1 ARG 138 HD3 -0.01 -0.03 0.01 -0.04 3.22 3.15 3f7pA1 HIS 139 H 0.02 0.69 -0.14 -0.55 8.41 8.44 3f7pA1 HIS 139 HA -0.08 0.01 0.52 -0.75 4.63 4.32 3f7pA1 HIS 139 HB2 -0.07 -0.01 0.09 -0.04 3.26 3.24 3f7pA1 HIS 139 HB3 -0.16 0.10 0.06 -0.04 3.20 3.16 3f7pA1 HIS 139 HD2 -0.09 0.04 -0.10 -0.04 6.97 6.78 3f7pA1 HIS 139 HE1 -0.02 -0.04 0.01 -0.04 7.75 7.65 3f7pA1 ARG 140 H -0.17 0.44 -0.24 -0.55 8.46 7.94 3f7pA1 ARG 140 HA -0.08 0.07 0.62 -0.75 4.34 4.18 3f7pA1 ARG 140 HB2 -0.32 0.08 0.19 -0.04 1.90 1.81 3f7pA1 ARG 140 HB3 -0.22 -0.05 0.19 -0.04 1.80 1.68 3f7pA1 ARG 140 HG2 -0.41 -0.03 0.01 -0.04 1.67 1.20 3f7pA1 ARG 140 HG3 -0.45 -0.04 0.01 -0.04 1.67 1.15 3f7pA1 ARG 140 HD2 0.03 0.01 0.04 -0.04 3.22 3.25 3f7pA1 ARG 140 HD3 -0.05 0.01 0.07 -0.04 3.22 3.21 3f7pA1 GLN 141 H -0.12 0.26 -1.05 -0.55 8.47 7.02 3f7pA1 GLN 141 HA -0.10 0.05 0.23 -0.75 4.36 3.79 3f7pA1 GLN 141 HB2 -0.05 0.17 -0.05 -0.04 2.15 2.18 3f7pA1 GLN 141 HB3 -0.06 -0.12 0.16 -0.04 2.02 1.96 3f7pA1 GLN 141 HG2 -0.07 0.08 -0.23 -0.04 2.40 2.14 3f7pA1 GLN 141 HG3 -0.05 -0.06 -0.05 -0.04 2.39 2.18 3f7pA1 GLN 141 HE21 -0.12 -0.07 0.03 -0.04 6.97 6.77 3f7pA1 GLN 141 HE22 -0.09 -0.01 0.01 -0.04 7.69 7.56 3f7pA1 VAL 142 H -0.19 0.56 -0.38 -0.55 8.24 7.68 3f7pA1 VAL 142 HA -0.16 0.05 0.65 -0.75 4.13 3.92 3f7pA1 VAL 142 HB -0.21 -0.02 -0.11 -0.04 2.12 1.75 3f7pA1 VAL 142 HG13 -0.14 -0.04 -0.29 -0.04 0.97 0.46 3f7pA1 VAL 142 HG23 -0.80 0.03 -0.07 -0.04 0.95 0.06 3f7pA1 LYS 143 H -0.07 0.18 0.12 -0.55 8.42 8.10 3f7pA1 LYS 143 HA -0.04 0.05 0.44 -0.75 4.32 4.01 3f7pA1 LYS 143 HB2 -0.03 -0.01 0.15 -0.04 1.87 1.95 3f7pA1 LYS 143 HB3 -0.02 -0.08 -0.03 -0.04 1.79 1.61 3f7pA1 LYS 143 HG2 -0.03 0.01 -0.05 -0.04 1.46 1.35 3f7pA1 LYS 143 HG3 -0.04 0.14 0.02 -0.04 1.46 1.54 3f7pA1 LYS 143 HD2 -0.02 -0.01 0.02 -0.04 1.69 1.64 3f7pA1 LYS 143 HD3 -0.01 -0.06 -0.02 -0.04 1.68 1.54 3f7pA1 LYS 143 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 3f7pA1 LYS 143 HE3 -0.02 0.07 0.01 -0.04 2.99 3.00 3f7pA1 LEU 144 H -0.02 0.22 0.09 -0.55 8.37 8.11 3f7pA1 LEU 144 HA 0.00 0.16 0.80 -0.75 4.35 4.56 3f7pA1 LEU 144 HB2 -0.00 0.00 0.18 -0.04 1.64 1.78 3f7pA1 LEU 144 HB3 0.01 -0.04 0.04 -0.04 1.64 1.61 3f7pA1 LEU 144 HG -0.03 0.14 -0.36 -0.04 1.64 1.35 3f7pA1 LEU 144 HD13 0.01 -0.00 -0.00 -0.04 0.93 0.90 3f7pA1 LEU 144 HD23 0.01 0.00 -0.05 -0.04 0.89 0.81 3f7pA1 VAL 145 H 0.01 0.21 -0.09 -0.55 8.24 7.82 3f7pA1 VAL 145 HA 0.00 0.12 0.66 -0.75 4.13 4.17 3f7pA1 VAL 145 HB 0.01 0.02 -0.01 -0.04 2.12 2.09 3f7pA1 VAL 145 HG13 0.02 0.01 -0.11 -0.04 0.97 0.85 3f7pA1 VAL 145 HG23 0.00 0.00 0.01 -0.04 0.95 0.93 3f7pA1 ASN 146 H 0.01 0.16 0.15 -0.55 8.53 8.30 3f7pA1 ASN 146 HA 0.01 0.01 0.29 -0.75 4.76 4.31 3f7pA1 ASN 146 HB2 0.01 -0.04 -0.38 -0.04 2.88 2.43 3f7pA1 ASN 146 HB3 0.01 0.06 0.10 -0.04 2.79 2.92 3f7pA1 ASN 146 HD21 0.00 0.00 0.01 -0.04 7.03 7.00 3f7pA1 ASN 146 HD22 0.01 0.01 -0.02 -0.04 7.74 7.70 3f7pA1 ILE 147 H 0.01 0.23 -0.44 -0.55 8.25 7.50 3f7pA1 ILE 147 HA 0.01 0.09 0.88 -0.75 4.18 4.40 3f7pA1 ILE 147 HB 0.02 0.03 -0.15 -0.04 1.89 1.74 3f7pA1 ILE 147 HG12 0.03 -0.05 -0.04 -0.04 1.49 1.39 3f7pA1 ILE 147 HG13 0.03 0.23 -0.44 -0.04 1.21 0.99 3f7pA1 ILE 147 HG23 0.03 -0.03 -0.24 -0.04 0.93 0.65 3f7pA1 ILE 147 HD13 0.05 -0.01 -0.10 -0.04 0.88 0.78 3f7pA1 ARG 148 H 0.01 0.12 0.07 -0.55 8.46 8.10 3f7pA1 ARG 148 HA 0.00 0.29 0.85 -0.75 4.34 4.74 3f7pA1 ARG 148 HB2 -0.01 -0.06 0.06 -0.04 1.90 1.86 3f7pA1 ARG 148 HB3 -0.01 -0.07 0.12 -0.04 1.80 1.80 3f7pA1 ARG 148 HG2 -0.00 0.11 -0.11 -0.04 1.67 1.62 3f7pA1 ARG 148 HG3 -0.00 0.01 -0.12 -0.04 1.67 1.52 3f7pA1 ARG 148 HD2 -0.01 0.00 0.01 -0.04 3.22 3.18 3f7pA1 ARG 148 HD3 -0.01 0.07 -0.03 -0.04 3.22 3.21 3f7pA1 ASN 149 H -0.00 0.24 0.15 -0.55 8.53 8.37 3f7pA1 ASN 149 HA 0.01 0.14 0.38 -0.75 4.76 4.53 3f7pA1 ASN 149 HB2 0.00 0.06 0.07 -0.04 2.88 2.97 3f7pA1 ASN 149 HB3 0.01 0.09 0.07 -0.04 2.79 2.92 3f7pA1 ASN 149 HD21 -0.02 -0.01 -0.03 -0.04 7.03 6.93 3f7pA1 ASN 149 HD22 0.00 0.27 0.04 -0.04 7.74 8.01 3f7pA1 ASP 150 H -0.01 0.11 -0.16 -0.55 8.40 7.79 3f7pA1 ASP 150 HA -0.02 0.11 0.45 -0.75 4.63 4.42 3f7pA1 ASP 150 HB2 -0.03 0.07 0.03 -0.04 2.71 2.73 3f7pA1 ASP 150 HB3 -0.04 0.04 0.05 -0.04 2.70 2.71 3f7pA1 ASP 151 H -0.00 0.13 -0.43 -0.55 8.40 7.55 3f7pA1 ASP 151 HA -0.00 0.07 0.44 -0.75 4.63 4.39 3f7pA1 ASP 151 HB2 0.01 0.31 0.13 -0.04 2.71 3.12 3f7pA1 ASP 151 HB3 0.01 -0.01 0.00 -0.04 2.70 2.66 3f7pA1 ILE 152 H 0.01 0.29 -0.23 -0.55 8.25 7.77 3f7pA1 ILE 152 HA 0.03 0.09 0.57 -0.75 4.18 4.12 3f7pA1 ILE 152 HB 0.02 0.08 0.08 -0.04 1.89 2.03 3f7pA1 ILE 152 HG12 0.03 0.04 -0.06 -0.04 1.49 1.46 3f7pA1 ILE 152 HG13 0.04 0.04 -0.07 -0.04 1.21 1.18 3f7pA1 ILE 152 HG23 0.04 0.01 -0.15 -0.04 0.93 0.79 3f7pA1 ILE 152 HD13 0.05 0.01 -0.20 -0.04 0.88 0.70 3f7pA1 ALA 153 H 0.01 0.47 0.01 -0.55 8.40 8.34 3f7pA1 ALA 153 HA 0.02 0.27 0.55 -0.75 4.34 4.42 3f7pA1 ALA 153 HB3 0.00 -0.04 0.04 -0.04 1.41 1.37 3f7pA1 ASP 154 H 0.00 0.40 -0.34 -0.55 8.40 7.92 3f7pA1 ASP 154 HA 0.01 0.14 0.76 -0.75 4.63 4.78 3f7pA1 ASP 154 HB2 -0.01 0.15 0.09 -0.04 2.71 2.90 3f7pA1 ASP 154 HB3 -0.01 -0.04 0.09 -0.04 2.70 2.70 3f7pA1 GLY 155 H 0.02 0.13 -0.59 -0.55 8.43 7.45 3f7pA1 GLY 155 HA2 0.04 0.05 0.23 -0.51 4.01 3.82 3f7pA1 GLY 155 HA3 0.03 0.11 0.26 -0.51 4.01 3.90 3f7pA1 ASN 156 H -0.01 0.47 0.08 -0.55 8.53 8.53 3f7pA1 ASN 156 HA -0.06 0.15 0.75 -0.75 4.76 4.85 3f7pA1 ASN 156 HB2 -0.02 0.06 0.14 -0.04 2.88 3.02 3f7pA1 ASN 156 HB3 -0.01 -0.04 0.16 -0.04 2.79 2.85 3f7pA1 ASN 156 HD21 -0.03 0.01 0.03 -0.04 7.03 7.01 3f7pA1 ASN 156 HD22 -0.02 0.04 0.04 -0.04 7.74 7.77 3f7pA1 PRO 157 HA -0.34 0.10 0.20 -0.51 4.44 3.90 3f7pA1 PRO 157 HB2 -0.51 -0.03 0.06 -0.04 2.28 1.76 3f7pA1 PRO 157 HB3 -1.74 0.03 0.08 -0.04 2.02 0.35 3f7pA1 PRO 157 HG2 -0.28 0.02 0.14 -0.04 2.03 1.87 3f7pA1 PRO 157 HG3 -0.35 0.21 0.18 -0.04 2.03 2.03 3f7pA1 PRO 157 HD2 -0.15 -0.02 0.24 -0.04 3.68 3.72 3f7pA1 PRO 157 HD3 -0.12 0.33 0.46 -0.04 3.65 4.28 3f7pA1 LYS 158 H -0.13 0.19 -0.01 -0.55 8.42 7.92 3f7pA1 LYS 158 HA -0.02 0.08 0.51 -0.75 4.32 4.13 3f7pA1 LYS 158 HB2 -0.06 0.02 0.14 -0.04 1.87 1.93 3f7pA1 LYS 158 HB3 -0.02 0.04 0.04 -0.04 1.79 1.81 3f7pA1 LYS 158 HG2 -0.02 0.06 0.01 -0.04 1.46 1.46 3f7pA1 LYS 158 HG3 -0.01 0.01 -0.01 -0.04 1.46 1.41 3f7pA1 LYS 158 HD2 -0.03 -0.03 0.04 -0.04 1.69 1.63 3f7pA1 LYS 158 HD3 -0.04 0.02 0.03 -0.04 1.68 1.64 3f7pA1 LYS 158 HE2 -0.03 0.05 0.01 -0.04 2.99 2.97 3f7pA1 LYS 158 HE3 -0.03 -0.00 0.01 -0.04 2.99 2.92 3f7pA1 LEU 159 H -0.01 0.11 -0.21 -0.55 8.37 7.71 3f7pA1 LEU 159 HA 0.04 0.08 0.34 -0.75 4.35 4.05 3f7pA1 LEU 159 HB2 0.01 0.11 -0.02 -0.04 1.64 1.69 3f7pA1 LEU 159 HB3 0.03 0.02 0.03 -0.04 1.64 1.68 3f7pA1 LEU 159 HG -0.01 -0.11 0.04 -0.04 1.64 1.52 3f7pA1 LEU 159 HD13 0.00 0.00 0.06 -0.04 0.93 0.95 3f7pA1 LEU 159 HD23 0.01 0.04 0.01 -0.04 0.89 0.91 3f7pA1 THR 160 H 0.04 0.31 -0.50 -0.55 8.28 7.58 3f7pA1 THR 160 HA 0.10 0.04 0.38 -0.75 4.39 4.15 3f7pA1 THR 160 HB 0.17 0.05 0.04 -0.04 4.32 4.54 3f7pA1 THR 160 HG23 0.18 0.01 -0.15 -0.04 1.22 1.22 3f7pA1 LEU 161 H 0.15 0.60 -0.02 -0.55 8.37 8.55 3f7pA1 LEU 161 HA 0.36 0.01 0.46 -0.75 4.35 4.43 3f7pA1 LEU 161 HB2 0.11 0.16 0.27 -0.04 1.64 2.14 3f7pA1 LEU 161 HB3 0.15 -0.07 -0.02 -0.04 1.64 1.66 3f7pA1 LEU 161 HG 0.30 0.15 0.05 -0.04 1.64 2.10 3f7pA1 LEU 161 HD13 -0.00 -0.03 -0.01 -0.04 0.93 0.85 3f7pA1 LEU 161 HD23 0.07 -0.02 -0.06 -0.04 0.89 0.85 3f7pA1 GLY 162 H 0.14 0.60 -0.20 -0.55 8.43 8.42 3f7pA1 GLY 162 HA2 0.25 -0.04 0.31 -0.51 4.01 4.02 3f7pA1 GLY 162 HA3 0.14 0.08 0.24 -0.51 4.01 3.96 3f7pA1 LEU 163 H 0.12 0.47 -0.24 -0.55 8.37 8.17 3f7pA1 LEU 163 HA 0.07 0.03 0.40 -0.75 4.35 4.10 3f7pA1 LEU 163 HB2 0.07 -0.00 0.08 -0.04 1.64 1.75 3f7pA1 LEU 163 HB3 0.09 0.12 0.16 -0.04 1.64 1.97 3f7pA1 LEU 163 HG 0.07 0.01 -0.31 -0.04 1.64 1.37 3f7pA1 LEU 163 HD13 0.05 -0.00 -0.04 -0.04 0.93 0.90 3f7pA1 LEU 163 HD23 0.06 -0.02 -0.06 -0.04 0.89 0.83 3f7pA1 ILE 164 H 0.14 0.52 -0.13 -0.55 8.25 8.23 3f7pA1 ILE 164 HA 0.02 0.03 0.37 -0.75 4.18 3.84 3f7pA1 ILE 164 HB 0.17 0.10 0.14 -0.04 1.89 2.26 3f7pA1 ILE 164 HG12 0.15 0.19 0.06 -0.04 1.49 1.85 3f7pA1 ILE 164 HG13 0.18 -0.06 -0.03 -0.04 1.21 1.26 3f7pA1 ILE 164 HG23 -0.21 -0.01 -0.09 -0.04 0.93 0.57 3f7pA1 ILE 164 HD13 0.12 -0.01 -0.06 -0.04 0.88 0.89 3f7pA1 TRP 165 H 0.22 0.59 -0.14 -0.55 7.97 8.10 3f7pA1 TRP 165 HA -0.60 -0.01 0.39 -0.75 4.62 3.65 3f7pA1 TRP 165 HB2 0.19 -0.05 0.05 -0.04 3.23 3.38 3f7pA1 TRP 165 HB3 0.03 0.13 0.15 -0.04 3.23 3.49 3f7pA1 TRP 165 HD1 0.00 0.04 -0.06 -0.04 7.22 7.17 3f7pA1 TRP 165 HE1 -0.01 -0.00 -0.05 -0.04 10.20 10.09 3f7pA1 TRP 165 HE3 -0.33 0.04 0.01 -0.04 7.59 7.27 3f7pA1 TRP 165 HZ2 -0.06 -0.02 -0.04 -0.04 7.44 7.29 3f7pA1 TRP 165 HZ3 -0.16 0.11 -0.01 -0.04 7.13 7.02 3f7pA1 TRP 165 HH2 -0.14 0.01 -0.05 -0.04 7.19 6.97 3f7pA1 THR 166 H 0.04 0.65 -0.11 -0.55 8.28 8.31 3f7pA1 THR 166 HA -0.34 -0.05 0.42 -0.75 4.39 3.67 3f7pA1 THR 166 HB -0.00 0.19 0.23 -0.04 4.32 4.69 3f7pA1 THR 166 HG23 -0.06 -0.01 -0.20 -0.04 1.22 0.91 3f7pA1 ILE 167 H -0.07 0.51 -0.18 -0.55 8.25 7.96 3f7pA1 ILE 167 HA 0.16 0.03 0.36 -0.75 4.18 3.98 3f7pA1 ILE 167 HB 0.03 0.09 0.16 -0.04 1.89 2.13 3f7pA1 ILE 167 HG12 0.19 0.00 -0.01 -0.04 1.49 1.63 3f7pA1 ILE 167 HG13 0.07 0.12 0.01 -0.04 1.21 1.37 3f7pA1 ILE 167 HG23 0.31 -0.01 -0.17 -0.04 0.93 1.03 3f7pA1 ILE 167 HD13 0.10 -0.03 -0.08 -0.04 0.88 0.82 3f7pA1 ILE 168 H -0.44 0.58 -0.13 -0.55 8.25 7.70 3f7pA1 ILE 168 HA -0.52 0.06 0.39 -0.75 4.18 3.35 3f7pA1 ILE 168 HB -0.82 0.08 0.19 -0.04 1.89 1.30 3f7pA1 ILE 168 HG12 -3.45 0.01 -0.02 -0.04 1.49 -2.00 3f7pA1 ILE 168 HG13 -1.25 0.11 0.03 -0.04 1.21 0.06 3f7pA1 ILE 168 HG23 -0.68 -0.02 -0.12 -0.04 0.93 0.06 3f7pA1 ILE 168 HD13 -1.13 -0.04 -0.08 -0.04 0.88 -0.41 3f7pA1 LEU 169 H -0.79 0.69 -0.05 -0.55 8.37 7.68 3f7pA1 LEU 169 HA -0.59 -0.08 0.37 -0.75 4.35 3.29 3f7pA1 LEU 169 HB2 -0.76 0.17 0.21 -0.04 1.64 1.22 3f7pA1 LEU 169 HB3 -0.37 0.04 -0.00 -0.04 1.64 1.26 3f7pA1 LEU 169 HG -1.53 -0.03 -0.00 -0.04 1.64 0.03 3f7pA1 LEU 169 HD13 -0.30 -0.01 -0.02 -0.04 0.93 0.55 3f7pA1 LEU 169 HD23 -0.26 -0.03 -0.03 -0.04 0.89 0.53 3f7pA1 HIS 170 H -0.16 0.57 -0.11 -0.55 8.41 8.17 3f7pA1 HIS 170 HA -0.25 -0.01 0.29 -0.75 4.63 3.90 3f7pA1 HIS 170 HB2 -0.24 -0.04 0.10 -0.04 3.26 3.04 3f7pA1 HIS 170 HB3 -0.32 0.07 0.11 -0.04 3.20 3.02 3f7pA1 HIS 170 HD2 -1.87 0.01 -0.16 -0.04 6.97 4.90 3f7pA1 HIS 170 HE1 -0.20 0.10 0.02 -0.04 7.75 7.63 3f7pA1 PHE 171 H 0.11 0.42 -0.12 -0.55 8.34 8.20 3f7pA1 PHE 171 HA -0.11 0.19 0.75 -0.75 4.62 4.70 3f7pA1 PHE 171 HB2 0.14 0.03 0.09 -0.04 3.15 3.37 3f7pA1 PHE 171 HB3 0.04 0.04 0.02 -0.04 3.06 3.12 3f7pA1 PHE 171 HD2 0.08 0.20 0.03 -0.04 7.28 7.55 3f7pA1 PHE 171 HE2 0.15 -0.04 -0.07 -0.04 7.38 7.38 3f7pA1 PHE 171 HZ 0.32 -0.04 -0.05 -0.04 7.32 7.51 3f7pA1 GLN 172 H 0.00 0.50 0.07 -0.55 8.47 8.50 3f7pA1 GLN 172 HA 0.09 0.29 0.96 -0.75 4.36 4.94 3f7pA1 GLN 172 HB2 0.41 -0.01 -0.03 -0.04 2.15 2.47 3f7pA1 GLN 172 HB3 0.01 0.02 0.13 -0.04 2.02 2.14 3f7pA1 GLN 172 HG2 0.04 -0.07 -0.21 -0.04 2.40 2.11 3f7pA1 GLN 172 HG3 0.11 0.06 -0.01 -0.04 2.39 2.51 3f7pA1 GLN 172 HE21 0.37 -0.04 -0.02 -0.04 6.97 7.24 3f7pA1 GLN 172 HE22 0.11 0.05 -0.05 -0.04 7.69 7.76 3f7pA1 ILE 173 H -0.18 0.36 0.21 -0.55 8.25 8.10 3f7pA1 ILE 173 HA -0.15 0.18 0.44 -0.75 4.18 3.91 3f7pA1 ILE 173 HB -0.31 0.01 0.09 -0.04 1.89 1.64 3f7pA1 ILE 173 HG12 -0.16 0.07 -0.16 -0.04 1.49 1.20 3f7pA1 ILE 173 HG13 -0.27 0.09 -0.17 -0.04 1.21 0.82 3f7pA1 ILE 173 HG23 -0.14 -0.05 -0.09 -0.04 0.93 0.61 3f7pA1 ILE 173 HD13 -0.31 -0.05 -0.17 -0.04 0.88 0.32 3f7pA1 SER 174 H -0.17 0.29 -0.10 -0.55 8.46 7.94 3f7pA1 SER 174 HA -0.13 -0.05 0.56 -0.75 4.49 4.11 3f7pA1 SER 174 HB2 -0.15 -0.07 0.10 -0.04 3.95 3.78 3f7pA1 SER 174 HB3 -0.19 -0.05 0.01 -0.04 3.93 3.65 3f7pA1 ASP 175 H -0.11 0.15 -0.36 -0.55 8.40 7.53 3f7pA1 ASP 175 HA -0.08 0.14 0.56 -0.75 4.63 4.51 3f7pA1 ASP 175 HB2 -0.02 -0.02 0.14 -0.04 2.71 2.77 3f7pA1 ASP 175 HB3 -0.08 0.01 0.02 -0.04 2.70 2.61 3f7pA1 ILE 176 H -0.15 0.11 -0.74 -0.55 8.25 6.92 3f7pA1 ILE 176 HA -0.42 0.11 0.37 -0.75 4.18 3.49 3f7pA1 ILE 176 HB -0.20 -0.07 -0.07 -0.04 1.89 1.51 3f7pA1 ILE 176 HG12 -0.21 0.21 -0.08 -0.04 1.49 1.37 3f7pA1 ILE 176 HG13 -0.26 -0.09 0.02 -0.04 1.21 0.84 3f7pA1 ILE 176 HG23 -0.76 -0.02 -0.18 -0.04 0.93 -0.07 3f7pA1 ILE 176 HD13 -0.45 -0.01 -0.09 -0.04 0.88 0.29 3f7pA1 GLN 177 H -0.12 0.24 0.09 -0.55 8.47 8.13 3f7pA1 GLN 177 HA 0.01 0.09 0.75 -0.75 4.36 4.45 3f7pA1 GLN 177 HB2 0.14 0.03 0.09 -0.04 2.15 2.37 3f7pA1 GLN 177 HB3 0.08 -0.06 -0.06 -0.04 2.02 1.94 3f7pA1 GLN 177 HG2 0.03 0.17 -0.58 -0.04 2.40 1.98 3f7pA1 GLN 177 HG3 0.05 -0.02 -0.09 -0.04 2.39 2.30 3f7pA1 GLN 177 HE21 -0.00 -0.09 -0.04 -0.04 6.97 6.81 3f7pA1 GLN 177 HE22 0.00 0.04 -0.09 -0.04 7.69 7.61 3f7pA1 VAL 178 H 0.05 0.19 0.04 -0.55 8.24 7.98 3f7pA1 VAL 178 HA 0.20 0.22 0.92 -0.75 4.13 4.72 3f7pA1 VAL 178 HB 0.10 -0.02 -0.16 -0.04 2.12 2.01 3f7pA1 VAL 178 HG13 0.21 0.02 -0.09 -0.04 0.97 1.08 3f7pA1 VAL 178 HG23 0.10 0.04 -0.21 -0.04 0.95 0.84 3f7pA1 SER 179 H 0.13 0.17 0.08 -0.55 8.46 8.29 3f7pA1 SER 179 HA 0.07 0.00 0.48 -0.75 4.49 4.28 3f7pA1 SER 179 HB2 0.06 -0.02 0.04 -0.04 3.95 3.99 3f7pA1 SER 179 HB3 0.08 0.05 0.09 -0.04 3.93 4.11 3f7pA1 GLY 180 H 0.04 0.08 0.17 -0.55 8.43 8.18 3f7pA1 GLY 180 HA2 0.03 0.00 0.38 -0.51 4.01 3.91 3f7pA1 GLY 180 HA3 0.04 0.04 0.43 -0.51 4.01 4.00 3f7pA1 GLN 181 H 0.04 0.06 0.04 -0.55 8.47 8.06 3f7pA1 GLN 181 HA 0.04 0.20 0.81 -0.75 4.36 4.66 3f7pA1 GLN 181 HB2 0.03 -0.08 0.11 -0.04 2.15 2.17 3f7pA1 GLN 181 HB3 0.05 0.14 -0.09 -0.04 2.02 2.09 3f7pA1 GLN 181 HG2 0.03 -0.01 -0.01 -0.04 2.40 2.37 3f7pA1 GLN 181 HG3 0.02 -0.08 -0.34 -0.04 2.39 1.95 3f7pA1 GLN 181 HE21 -0.00 0.15 -0.02 -0.04 6.97 7.05 3f7pA1 GLN 181 HE22 0.01 -0.10 -0.16 -0.04 7.69 7.40 3f7pA1 SER 182 H 0.02 0.27 0.18 -0.55 8.46 8.38 3f7pA1 SER 182 HA 0.01 0.19 0.72 -0.75 4.49 4.67 3f7pA1 SER 182 HB2 0.02 -0.08 0.02 -0.04 3.95 3.87 3f7pA1 SER 182 HB3 0.01 -0.03 0.10 -0.04 3.93 3.97 3f7pA1 GLU 183 H 0.01 0.20 0.14 -0.55 8.60 8.40 3f7pA1 GLU 183 HA 0.00 0.22 0.53 -0.75 4.29 4.29 3f7pA1 GLU 183 HB2 -0.00 0.04 0.09 -0.04 2.09 2.17 3f7pA1 GLU 183 HB3 -0.00 0.08 0.11 -0.04 1.99 2.14 3f7pA1 GLU 183 HG2 0.00 -0.08 0.10 -0.04 2.34 2.32 3f7pA1 GLU 183 HG3 0.00 0.04 0.03 -0.04 2.34 2.37 3f7pA1 ASP 184 H 0.01 -0.05 -0.41 -0.55 8.40 7.40 3f7pA1 ASP 184 HA 0.01 0.19 0.70 -0.75 4.63 4.78 3f7pA1 ASP 184 HB2 0.01 0.00 0.08 -0.04 2.71 2.76 3f7pA1 ASP 184 HB3 0.01 0.01 0.02 -0.04 2.70 2.70 3f7pA1 MET 185 H 0.01 0.34 -0.31 -0.55 8.47 7.97 3f7pA1 MET 185 HA 0.03 0.00 0.68 -0.75 4.52 4.48 3f7pA1 MET 185 HB2 0.02 0.22 0.16 -0.04 2.15 2.51 3f7pA1 MET 185 HB3 0.03 -0.04 -0.03 -0.04 2.03 1.96 3f7pA1 MET 185 HG2 0.03 0.00 -0.02 -0.04 2.63 2.60 3f7pA1 MET 185 HG3 0.02 -0.12 0.05 -0.04 2.56 2.47 3f7pA1 MET 185 HE3 0.05 -0.00 -0.17 -0.04 2.10 1.94 3f7pA1 THR 186 H 0.03 0.04 0.15 -0.55 8.28 7.96 3f7pA1 THR 186 HA 0.01 0.24 0.51 -0.75 4.39 4.40 3f7pA1 THR 186 HB 0.03 -0.04 0.15 -0.04 4.32 4.42 3f7pA1 THR 186 HG23 0.03 0.05 0.06 -0.04 1.22 1.33 3f7pA1 ALA 187 H -0.02 0.20 0.16 -0.55 8.40 8.19 3f7pA1 ALA 187 HA -0.04 0.20 0.44 -0.75 4.34 4.18 3f7pA1 ALA 187 HB3 -0.09 0.14 0.08 -0.04 1.41 1.50 3f7pA1 LYS 188 H 0.03 0.05 -0.17 -0.55 8.42 7.78 3f7pA1 LYS 188 HA 0.08 0.12 0.44 -0.75 4.32 4.20 3f7pA1 LYS 188 HB2 0.12 0.04 0.06 -0.04 1.87 2.04 3f7pA1 LYS 188 HB3 0.12 -0.05 0.04 -0.04 1.79 1.86 3f7pA1 LYS 188 HG2 0.30 0.01 -0.22 -0.04 1.46 1.52 3f7pA1 LYS 188 HG3 0.21 0.01 -0.02 -0.04 1.46 1.62 3f7pA1 LYS 188 HD2 0.17 -0.00 -0.04 -0.04 1.69 1.78 3f7pA1 LYS 188 HD3 0.15 0.02 -0.03 -0.04 1.68 1.78 3f7pA1 LYS 188 HE2 0.22 0.03 -0.07 -0.04 2.99 3.13 3f7pA1 LYS 188 HE3 0.29 -0.06 -0.05 -0.04 2.99 3.13 3f7pA1 GLU 189 H 0.09 0.07 -0.24 -0.55 8.60 7.97 3f7pA1 GLU 189 HA 0.14 0.03 0.35 -0.75 4.29 4.05 3f7pA1 GLU 189 HB2 0.06 0.05 0.11 -0.04 2.09 2.28 3f7pA1 GLU 189 HB3 0.07 0.06 0.04 -0.04 1.99 2.11 3f7pA1 GLU 189 HG2 0.08 0.04 0.03 -0.04 2.34 2.45 3f7pA1 GLU 189 HG3 0.08 -0.10 0.06 -0.04 2.34 2.34 3f7pA1 LYS 190 H 0.06 0.52 -0.34 -0.55 8.42 8.11 3f7pA1 LYS 190 HA 0.08 0.03 0.48 -0.75 4.32 4.16 3f7pA1 LYS 190 HB2 -0.02 0.20 0.05 -0.04 1.87 2.06 3f7pA1 LYS 190 HB3 -0.01 -0.05 -0.13 -0.04 1.79 1.57 3f7pA1 LYS 190 HG2 0.03 -0.12 -0.06 -0.04 1.46 1.26 3f7pA1 LYS 190 HG3 0.01 0.19 -0.18 -0.04 1.46 1.44 3f7pA1 LYS 190 HD2 -0.04 0.09 -0.10 -0.04 1.69 1.60 3f7pA1 LYS 190 HD3 -0.01 -0.09 -0.09 -0.04 1.68 1.45 3f7pA1 LYS 190 HE2 -0.00 -0.02 -0.05 -0.04 2.99 2.88 3f7pA1 LYS 190 HE3 -0.01 0.03 -0.23 -0.04 2.99 2.74 3f7pA1 LEU 191 H 0.11 0.47 -0.13 -0.55 8.37 8.27 3f7pA1 LEU 191 HA 0.12 0.08 0.42 -0.75 4.35 4.22 3f7pA1 LEU 191 HB2 -0.01 0.15 0.12 -0.04 1.64 1.86 3f7pA1 LEU 191 HB3 0.29 -0.01 0.10 -0.04 1.64 1.97 3f7pA1 LEU 191 HG 0.41 -0.08 -0.16 -0.04 1.64 1.77 3f7pA1 LEU 191 HD13 -0.14 0.02 -0.05 -0.04 0.93 0.72 3f7pA1 LEU 191 HD23 -0.26 -0.02 -0.03 -0.04 0.89 0.53 3f7pA1 LEU 192 H 0.35 0.50 -0.20 -0.55 8.37 8.48 3f7pA1 LEU 192 HA 0.10 0.00 0.35 -0.75 4.35 4.05 3f7pA1 LEU 192 HB2 0.07 -0.04 -0.01 -0.04 1.64 1.62 3f7pA1 LEU 192 HB3 0.08 0.10 0.04 -0.04 1.64 1.82 3f7pA1 LEU 192 HG -0.08 0.03 -0.17 -0.04 1.64 1.38 3f7pA1 LEU 192 HD13 -0.58 -0.05 -0.31 -0.04 0.93 -0.05 3f7pA1 LEU 192 HD23 -0.04 0.01 -0.12 -0.04 0.89 0.70 3f7pA1 LEU 193 H 0.15 0.49 -0.21 -0.55 8.37 8.25 3f7pA1 LEU 193 HA 0.07 -0.00 0.41 -0.75 4.35 4.07 3f7pA1 LEU 193 HB2 0.09 0.04 0.14 -0.04 1.64 1.86 3f7pA1 LEU 193 HB3 0.13 0.10 0.13 -0.04 1.64 1.97 3f7pA1 LEU 193 HG 0.10 0.01 -0.19 -0.04 1.64 1.52 3f7pA1 LEU 193 HD13 0.04 -0.02 0.03 -0.04 0.93 0.94 3f7pA1 LEU 193 HD23 0.07 0.01 -0.04 -0.04 0.89 0.89 3f7pA1 TRP 194 H 0.34 0.65 -0.21 -0.55 7.97 8.20 3f7pA1 TRP 194 HA 0.09 0.01 0.42 -0.75 4.62 4.39 3f7pA1 TRP 194 HB2 0.02 0.04 0.06 -0.04 3.23 3.31 3f7pA1 TRP 194 HB3 0.09 0.10 0.16 -0.04 3.23 3.54 3f7pA1 TRP 194 HD1 0.19 -0.01 0.02 -0.04 7.22 7.39 3f7pA1 TRP 194 HE1 0.25 0.05 -0.03 -0.04 10.20 10.43 3f7pA1 TRP 194 HE3 0.22 0.03 -0.06 -0.04 7.59 7.74 3f7pA1 TRP 194 HZ2 0.14 0.10 -0.11 -0.04 7.44 7.53 3f7pA1 TRP 194 HZ3 0.25 -0.07 -0.06 -0.04 7.13 7.21 3f7pA1 TRP 194 HH2 0.16 0.00 -0.21 -0.04 7.19 7.10 3f7pA1 SER 195 H 0.45 0.61 -0.16 -0.55 8.46 8.82 3f7pA1 SER 195 HA -0.20 0.01 0.27 -0.75 4.49 3.82 3f7pA1 SER 195 HB2 0.23 0.09 0.10 -0.04 3.95 4.33 3f7pA1 SER 195 HB3 0.32 -0.11 -0.03 -0.04 3.93 4.07 3f7pA1 GLN 196 H 0.03 0.64 -0.20 -0.55 8.47 8.39 3f7pA1 GLN 196 HA -0.09 -0.09 0.37 -0.75 4.36 3.80 3f7pA1 GLN 196 HB2 -0.00 0.16 0.16 -0.04 2.15 2.43 3f7pA1 GLN 196 HB3 -0.03 -0.08 0.01 -0.04 2.02 1.88 3f7pA1 GLN 196 HG2 -0.07 -0.13 0.10 -0.04 2.40 2.25 3f7pA1 GLN 196 HG3 -0.06 0.01 0.07 -0.04 2.39 2.38 3f7pA1 GLN 196 HE21 -0.03 -0.12 -0.01 -0.04 6.97 6.77 3f7pA1 GLN 196 HE22 -0.07 0.48 0.17 -0.04 7.69 8.24 3f7pA1 ARG 197 H -0.06 0.58 -0.19 -0.55 8.46 8.25 3f7pA1 ARG 197 HA -0.03 -0.03 0.42 -0.75 4.34 3.94 3f7pA1 ARG 197 HB2 -0.06 0.12 0.19 -0.04 1.90 2.12 3f7pA1 ARG 197 HB3 -0.02 -0.04 0.03 -0.04 1.80 1.72 3f7pA1 ARG 197 HG2 0.01 -0.08 0.02 -0.04 1.67 1.59 3f7pA1 ARG 197 HG3 0.04 0.10 0.01 -0.04 1.67 1.78 3f7pA1 ARG 197 HD2 0.10 -0.02 -0.01 -0.04 3.22 3.25 3f7pA1 ARG 197 HD3 0.05 -0.05 0.00 -0.04 3.22 3.19 3f7pA1 MET 198 H -0.34 0.54 -0.12 -0.55 8.47 8.00 3f7pA1 MET 198 HA -0.15 0.06 0.42 -0.75 4.52 4.09 3f7pA1 MET 198 HB2 -0.47 0.06 0.10 -0.04 2.15 1.80 3f7pA1 MET 198 HB3 -0.31 -0.04 -0.02 -0.04 2.03 1.62 3f7pA1 MET 198 HG2 -1.43 0.20 -0.04 -0.04 2.63 1.32 3f7pA1 MET 198 HG3 -1.90 -0.07 -0.09 -0.04 2.56 0.47 3f7pA1 MET 198 HE3 0.06 0.01 -0.05 -0.04 2.10 2.07 3f7pA1 VAL 199 H -0.12 0.42 -0.20 -0.55 8.24 7.78 3f7pA1 VAL 199 HA 0.06 0.13 0.57 -0.75 4.13 4.15 3f7pA1 VAL 199 HB -0.12 -0.11 0.01 -0.04 2.12 1.86 3f7pA1 VAL 199 HG13 -0.25 -0.01 -0.11 -0.04 0.97 0.56 3f7pA1 VAL 199 HG23 -0.15 0.05 -0.17 -0.04 0.95 0.64 3f7pA1 GLU 200 H 0.01 0.30 -0.55 -0.55 8.60 7.82 3f7pA1 GLU 200 HA 0.01 -0.05 0.46 -0.75 4.29 3.96 3f7pA1 GLU 200 HB2 -0.01 0.15 0.19 -0.04 2.09 2.38 3f7pA1 GLU 200 HB3 0.00 0.07 0.07 -0.04 1.99 2.08 3f7pA1 GLU 200 HG2 -0.01 -0.06 -0.05 -0.04 2.34 2.18 3f7pA1 GLU 200 HG3 -0.01 -0.06 0.05 -0.04 2.34 2.29 3f7pA1 GLY 201 H 0.00 0.10 0.11 -0.55 8.43 8.09 3f7pA1 GLY 201 HA2 -0.05 -0.06 0.34 -0.51 4.01 3.73 3f7pA1 GLY 201 HA3 -0.10 0.17 0.54 -0.51 4.01 4.11 3f7pA1 TYR 202 H 0.13 0.43 -0.67 -0.55 8.29 7.63 3f7pA1 TYR 202 HA 0.04 -0.03 0.55 -0.75 4.56 4.36 3f7pA1 TYR 202 HB2 -0.02 0.16 0.08 -0.04 3.06 3.24 3f7pA1 TYR 202 HB3 0.05 -0.05 -0.05 -0.04 2.98 2.89 3f7pA1 TYR 202 HD2 -0.01 0.01 -0.09 -0.04 7.15 7.02 3f7pA1 TYR 202 HE2 -0.07 0.10 0.03 -0.04 6.85 6.87 3f7pA1 GLN 203 H 0.09 0.10 0.19 -0.55 8.47 8.29 3f7pA1 GLN 203 HA 0.00 0.01 0.30 -0.75 4.36 3.92 3f7pA1 GLN 203 HB2 -0.10 -0.02 0.16 -0.04 2.15 2.15 3f7pA1 GLN 203 HB3 -0.13 0.01 -0.01 -0.04 2.02 1.85 3f7pA1 GLN 203 HG2 -0.05 -0.01 0.07 -0.04 2.40 2.36 3f7pA1 GLN 203 HG3 -0.05 0.08 0.10 -0.04 2.39 2.48 3f7pA1 GLN 203 HE21 -0.07 -0.02 0.02 -0.04 6.97 6.86 3f7pA1 GLN 203 HE22 -0.05 0.02 0.03 -0.04 7.69 7.65 3f7pA1 GLY 204 H 0.00 0.13 0.17 -0.55 8.43 8.18 3f7pA1 GLY 204 HA2 -0.01 -0.03 0.32 -0.51 4.01 3.79 3f7pA1 GLY 204 HA3 0.02 0.03 0.24 -0.51 4.01 3.79 3f7pA1 LEU 205 H 0.06 0.45 -0.65 -0.55 8.37 7.68 3f7pA1 LEU 205 HA -0.05 0.02 0.63 -0.75 4.35 4.20 3f7pA1 LEU 205 HB2 0.08 0.22 -0.06 -0.04 1.64 1.84 3f7pA1 LEU 205 HB3 -0.08 -0.03 -0.11 -0.04 1.64 1.38 3f7pA1 LEU 205 HG -0.15 -0.14 -0.13 -0.04 1.64 1.18 3f7pA1 LEU 205 HD13 0.09 0.08 -0.26 -0.04 0.93 0.80 3f7pA1 LEU 205 HD23 -0.17 -0.01 -0.13 -0.04 0.89 0.54 3f7pA1 ARG 206 H -0.16 0.21 0.13 -0.55 8.46 8.08 3f7pA1 ARG 206 HA -0.10 0.13 0.65 -0.75 4.34 4.27 3f7pA1 ARG 206 HB2 -0.06 0.14 -0.49 -0.04 1.90 1.45 3f7pA1 ARG 206 HB3 -0.09 -0.04 -0.06 -0.04 1.80 1.57 3f7pA1 ARG 206 HG2 -0.09 -0.11 -0.23 -0.04 1.67 1.20 3f7pA1 ARG 206 HG3 -0.07 0.03 -0.04 -0.04 1.67 1.55 3f7pA1 ARG 206 HD2 -0.04 0.03 -0.07 -0.04 3.22 3.10 3f7pA1 ARG 206 HD3 -0.05 0.03 -0.12 -0.04 3.22 3.04 3f7pA1 CYS 207 H -0.15 0.28 0.03 -0.55 8.50 8.11 3f7pA1 CYS 207 HA -0.36 0.10 1.03 -0.75 4.58 4.60 3f7pA1 CYS 207 HB2 -0.41 0.04 -0.18 -0.04 2.97 2.37 3f7pA1 CYS 207 HB3 -0.19 0.06 0.05 -0.04 2.97 2.85 3f7pA1 ASP 208 H -0.16 0.08 0.11 -0.55 8.40 7.87 3f7pA1 ASP 208 HA -0.08 0.26 0.73 -0.75 4.63 4.79 3f7pA1 ASP 208 HB2 -0.06 -0.07 0.03 -0.04 2.71 2.57 3f7pA1 ASP 208 HB3 -0.04 0.02 0.05 -0.04 2.70 2.69 3f7pA1 ASN 209 H -0.09 0.09 0.10 -0.55 8.53 8.08 3f7pA1 ASN 209 HA -0.05 0.27 0.70 -0.75 4.76 4.93 3f7pA1 ASN 209 HB2 0.10 -0.12 0.15 -0.04 2.88 2.97 3f7pA1 ASN 209 HB3 0.03 0.22 -0.14 -0.04 2.79 2.85 3f7pA1 ASN 209 HD21 0.01 0.04 -0.01 -0.04 7.03 7.03 3f7pA1 ASN 209 HD22 0.01 0.18 -0.09 -0.04 7.74 7.80 3f7pA1 PHE 210 H 0.24 0.18 0.06 -0.55 8.34 8.26 3f7pA1 PHE 210 HA 0.47 0.28 0.80 -0.75 4.62 5.42 3f7pA1 PHE 210 HB2 0.09 -0.04 0.07 -0.04 3.15 3.22 3f7pA1 PHE 210 HB3 -0.01 0.02 0.20 -0.04 3.06 3.24 3f7pA1 PHE 210 HD2 -0.07 -0.03 -0.08 -0.04 7.28 7.06 3f7pA1 PHE 210 HE2 0.16 0.09 -0.12 -0.04 7.38 7.47 3f7pA1 PHE 210 HZ 0.20 0.00 -0.55 -0.04 7.32 6.93 3f7pA1 THR 211 H 0.30 -0.07 -0.35 -0.55 8.28 7.61 3f7pA1 THR 211 HA 0.19 0.27 0.75 -0.75 4.39 4.84 3f7pA1 THR 211 HB 0.10 0.14 0.13 -0.04 4.32 4.65 3f7pA1 THR 211 HG23 0.10 -0.00 -0.19 -0.04 1.22 1.09 3f7pA1 SER 212 H 0.10 0.16 0.17 -0.55 8.46 8.34 3f7pA1 SER 212 HA 0.09 0.23 0.42 -0.75 4.49 4.48 3f7pA1 SER 212 HB2 0.03 0.06 0.15 -0.04 3.95 4.15 3f7pA1 SER 212 HB3 0.04 0.14 0.26 -0.04 3.93 4.33 3f7pA1 SER 213 H 0.07 -0.08 -0.32 -0.55 8.46 7.58 3f7pA1 SER 213 HA -0.15 0.14 0.42 -0.75 4.49 4.14 3f7pA1 SER 213 HB2 -0.16 0.02 0.01 -0.04 3.95 3.78 3f7pA1 SER 213 HB3 -0.64 0.15 0.10 -0.04 3.93 3.49 3f7pA1 TRP 214 H 0.31 0.48 -0.43 -0.55 7.97 7.77 3f7pA1 TRP 214 HA -0.17 0.09 0.76 -0.75 4.62 4.54 3f7pA1 TRP 214 HB2 0.05 0.13 -0.05 -0.04 3.23 3.31 3f7pA1 TRP 214 HB3 -0.29 -0.04 0.05 -0.04 3.23 2.91 3f7pA1 TRP 214 HD1 0.04 -0.12 -0.33 -0.04 7.22 6.77 3f7pA1 TRP 214 HE1 -0.08 0.33 0.20 -0.04 10.20 10.60 3f7pA1 TRP 214 HE3 -1.58 -0.09 -0.11 -0.04 7.59 5.77 3f7pA1 TRP 214 HZ2 0.08 0.04 -0.10 -0.04 7.44 7.42 3f7pA1 TRP 214 HZ3 -0.19 0.06 -0.26 -0.04 7.13 6.69 3f7pA1 TRP 214 HH2 0.14 0.09 -0.10 -0.04 7.19 7.27 3f7pA1 ARG 215 H 0.09 0.50 -0.20 -0.55 8.46 8.30 3f7pA1 ARG 215 HA 0.16 0.15 0.14 -0.75 4.34 4.04 3f7pA1 ARG 215 HB2 0.09 0.11 0.18 -0.04 1.90 2.24 3f7pA1 ARG 215 HB3 0.05 0.07 0.19 -0.04 1.80 2.06 3f7pA1 ARG 215 HG2 0.04 -0.06 -0.34 -0.04 1.67 1.27 3f7pA1 ARG 215 HG3 0.07 -0.10 0.06 -0.04 1.67 1.66 3f7pA1 ARG 215 HD2 0.04 0.18 -0.10 -0.04 3.22 3.29 3f7pA1 ARG 215 HD3 0.03 -0.02 -0.06 -0.04 3.22 3.12 3f7pA1 ASP 216 H 0.01 0.14 -0.20 -0.55 8.40 7.80 3f7pA1 ASP 216 HA 0.03 0.11 0.50 -0.75 4.63 4.51 3f7pA1 ASP 216 HB2 -0.01 0.06 0.15 -0.04 2.71 2.87 3f7pA1 ASP 216 HB3 -0.00 0.02 0.06 -0.04 2.70 2.74 3f7pA1 GLY 217 H 0.10 0.40 -0.42 -0.55 8.43 7.95 3f7pA1 GLY 217 HA2 0.30 0.05 0.25 -0.51 4.01 4.10 3f7pA1 GLY 217 HA3 0.06 0.11 0.30 -0.51 4.01 3.97 3f7pA1 ARG 218 H -0.06 0.07 -0.51 -0.55 8.46 7.40 3f7pA1 ARG 218 HA -0.12 0.13 0.35 -0.75 4.34 3.94 3f7pA1 ARG 218 HB2 -0.14 -0.04 0.02 -0.04 1.90 1.70 3f7pA1 ARG 218 HB3 -0.21 0.06 -0.07 -0.04 1.80 1.55 3f7pA1 ARG 218 HG2 -0.15 0.07 -0.11 -0.04 1.67 1.44 3f7pA1 ARG 218 HG3 -0.07 0.04 -0.13 -0.04 1.67 1.47 3f7pA1 ARG 218 HD2 -0.04 -0.05 -0.04 -0.04 3.22 3.05 3f7pA1 ARG 218 HD3 -0.10 0.02 -0.09 -0.04 3.22 3.01 3f7pA1 LEU 219 H -0.26 0.11 -0.08 -0.55 8.37 7.59 3f7pA1 LEU 219 HA -0.30 0.13 0.42 -0.75 4.35 3.84 3f7pA1 LEU 219 HB2 -0.87 -0.06 -0.03 -0.04 1.64 0.65 3f7pA1 LEU 219 HB3 -0.89 0.07 -0.10 -0.04 1.64 0.68 3f7pA1 LEU 219 HG -0.57 0.02 0.06 -0.04 1.64 1.11 3f7pA1 LEU 219 HD13 -1.58 0.01 -0.13 -0.04 0.93 -0.81 3f7pA1 LEU 219 HD23 -0.40 0.01 -0.14 -0.04 0.89 0.32 3f7pA1 PHE 220 H 0.06 0.06 -0.46 -0.55 8.34 7.44 3f7pA1 PHE 220 HA 0.39 0.09 0.27 -0.75 4.62 4.61 3f7pA1 PHE 220 HB2 0.10 0.11 0.05 -0.04 3.15 3.37 3f7pA1 PHE 220 HB3 0.22 0.04 -0.08 -0.04 3.06 3.20 3f7pA1 PHE 220 HD2 0.32 0.02 -0.02 -0.04 7.28 7.56 3f7pA1 PHE 220 HE2 0.30 0.03 -0.07 -0.04 7.38 7.59 3f7pA1 PHE 220 HZ 0.14 -0.04 -0.06 -0.04 7.32 7.33 3f7pA1 ASN 221 H 0.10 0.37 -0.20 -0.55 8.53 8.26 3f7pA1 ASN 221 HA 0.09 0.06 0.39 -0.75 4.76 4.54 3f7pA1 ASN 221 HB2 -0.08 0.11 0.12 -0.04 2.88 2.99 3f7pA1 ASN 221 HB3 -0.06 -0.06 -0.09 -0.04 2.79 2.54 3f7pA1 ASN 221 HD21 -0.03 0.16 0.05 -0.04 7.03 7.17 3f7pA1 ASN 221 HD22 -0.00 0.40 0.02 -0.04 7.74 8.12 3f7pA1 ALA 222 H -0.16 0.53 -0.16 -0.55 8.40 8.06 3f7pA1 ALA 222 HA -0.41 -0.01 0.34 -0.75 4.34 3.50 3f7pA1 ALA 222 HB3 -0.76 0.02 0.03 -0.04 1.41 0.67 3f7pA1 ILE 223 H -0.01 0.44 -0.35 -0.55 8.25 7.78 3f7pA1 ILE 223 HA -0.05 0.08 0.27 -0.75 4.18 3.72 3f7pA1 ILE 223 HB 0.25 0.07 0.10 -0.04 1.89 2.27 3f7pA1 ILE 223 HG12 -0.15 -0.00 -0.06 -0.04 1.49 1.23 3f7pA1 ILE 223 HG13 -0.01 0.15 0.00 -0.04 1.21 1.30 3f7pA1 ILE 223 HG23 0.22 0.00 -0.20 -0.04 0.93 0.91 3f7pA1 ILE 223 HD13 0.44 -0.04 -0.09 -0.04 0.88 1.15 3f7pA1 ILE 224 H 0.15 0.40 -0.17 -0.55 8.25 8.08 3f7pA1 ILE 224 HA 0.17 0.09 0.36 -0.75 4.18 4.03 3f7pA1 ILE 224 HB 0.14 0.06 0.07 -0.04 1.89 2.12 3f7pA1 ILE 224 HG12 0.15 0.03 -0.01 -0.04 1.49 1.62 3f7pA1 ILE 224 HG13 0.21 0.01 0.03 -0.04 1.21 1.43 3f7pA1 ILE 224 HG23 0.13 -0.01 -0.16 -0.04 0.93 0.85 3f7pA1 ILE 224 HD13 0.18 -0.04 -0.05 -0.04 0.88 0.93 3f7pA1 HIS 225 H 0.14 0.42 -0.38 -0.55 8.41 8.05 3f7pA1 HIS 225 HA 0.08 0.00 0.18 -0.75 4.63 4.14 3f7pA1 HIS 225 HB2 0.02 -0.05 0.01 -0.04 3.26 3.21 3f7pA1 HIS 225 HB3 0.01 0.13 0.12 -0.04 3.20 3.42 3f7pA1 HIS 225 HD2 0.07 0.15 0.15 -0.04 6.97 7.29 3f7pA1 HIS 225 HE1 0.10 -0.02 -0.02 -0.04 7.75 7.76 3f7pA1 ARG 226 H 0.17 0.65 -0.07 -0.55 8.46 8.66 3f7pA1 ARG 226 HA 0.15 -0.06 0.36 -0.75 4.34 4.04 3f7pA1 ARG 226 HB2 0.28 0.04 0.16 -0.04 1.90 2.34 3f7pA1 ARG 226 HB3 0.11 0.11 0.17 -0.04 1.80 2.14 3f7pA1 ARG 226 HG2 0.05 -0.05 -0.01 -0.04 1.67 1.62 3f7pA1 ARG 226 HG3 0.10 0.00 -0.29 -0.04 1.67 1.45 3f7pA1 ARG 226 HD2 0.06 -0.07 0.03 -0.04 3.22 3.19 3f7pA1 ARG 226 HD3 0.09 -0.08 0.09 -0.04 3.22 3.28 3f7pA1 HIS 227 H 0.18 0.25 -0.59 -0.55 8.41 7.70 3f7pA1 HIS 227 HA 0.05 0.05 0.55 -0.75 4.63 4.53 3f7pA1 HIS 227 HB2 0.11 -0.02 0.02 -0.04 3.26 3.33 3f7pA1 HIS 227 HB3 0.08 0.06 0.09 -0.04 3.20 3.38 3f7pA1 HIS 227 HD2 0.08 -0.05 0.06 -0.04 6.97 7.01 3f7pA1 HIS 227 HE1 0.03 0.00 0.06 -0.04 7.75 7.79 3f7pA1 LYS 228 H 0.04 0.48 -0.10 -0.55 8.42 8.29 3f7pA1 LYS 228 HA -0.11 0.13 0.76 -0.75 4.32 4.35 3f7pA1 LYS 228 HB2 0.08 0.00 0.12 -0.04 1.87 2.03 3f7pA1 LYS 228 HB3 -0.00 -0.16 0.11 -0.04 1.79 1.70 3f7pA1 LYS 228 HG2 -0.24 0.24 0.03 -0.04 1.46 1.45 3f7pA1 LYS 228 HG3 0.10 -0.00 -0.32 -0.04 1.46 1.19 3f7pA1 LYS 228 HD2 0.04 0.05 0.01 -0.04 1.69 1.75 3f7pA1 LYS 228 HD3 0.08 -0.02 -0.01 -0.04 1.68 1.68 3f7pA1 LYS 228 HE2 -0.01 -0.12 0.02 -0.04 2.99 2.84 3f7pA1 LYS 228 HE3 -0.05 0.02 0.05 -0.04 2.99 2.97 3f7pA1 PRO 229 HA -0.72 0.03 0.38 -0.51 4.44 3.62 3f7pA1 PRO 229 HB2 -0.08 -0.04 0.00 -0.04 2.28 2.12 3f7pA1 PRO 229 HB3 -0.21 -0.04 0.10 -0.04 2.02 1.82 3f7pA1 PRO 229 HG2 -0.11 -0.03 0.05 -0.04 2.03 1.90 3f7pA1 PRO 229 HG3 -0.32 0.13 0.05 -0.04 2.03 1.85 3f7pA1 PRO 229 HD2 -0.11 0.02 0.12 -0.04 3.68 3.68 3f7pA1 PRO 229 HD3 -0.14 0.34 -0.16 -0.04 3.65 3.64 3f7pA1 LEU 230 H -0.03 0.12 -0.55 -0.55 8.37 7.36 3f7pA1 LEU 230 HA 0.04 0.06 0.37 -0.75 4.35 4.06 3f7pA1 LEU 230 HB2 0.00 0.04 0.01 -0.04 1.64 1.65 3f7pA1 LEU 230 HB3 0.02 0.00 0.01 -0.04 1.64 1.63 3f7pA1 LEU 230 HG -0.00 -0.00 -0.01 -0.04 1.64 1.58 3f7pA1 LEU 230 HD13 0.00 0.00 -0.00 -0.04 0.93 0.90 3f7pA1 LEU 230 HD23 0.02 -0.00 -0.01 -0.04 0.89 0.86 3f7pA1 LEU 231 H 0.04 0.66 -0.15 -0.55 8.37 8.38 3f7pA1 LEU 231 HA 0.05 0.08 0.54 -0.75 4.35 4.27 3f7pA1 LEU 231 HB2 0.08 0.13 -0.01 -0.04 1.64 1.80 3f7pA1 LEU 231 HB3 0.07 -0.09 0.03 -0.04 1.64 1.61 3f7pA1 LEU 231 HG 0.04 -0.02 0.01 -0.04 1.64 1.63 3f7pA1 LEU 231 HD13 0.09 0.02 -0.05 -0.04 0.93 0.96 3f7pA1 LEU 231 HD23 0.04 -0.01 -0.07 -0.04 0.89 0.82 3f7pA1 ILE 232 H 0.15 0.37 -0.24 -0.55 8.25 7.98 3f7pA1 ILE 232 HA 0.07 0.16 0.99 -0.75 4.18 4.65 3f7pA1 ILE 232 HB 0.27 0.01 -0.03 -0.04 1.89 2.09 3f7pA1 ILE 232 HG12 0.13 -0.02 -0.44 -0.04 1.49 1.11 3f7pA1 ILE 232 HG13 0.14 0.12 -0.18 -0.04 1.21 1.24 3f7pA1 ILE 232 HG23 0.02 -0.04 -0.24 -0.04 0.93 0.63 3f7pA1 ILE 232 HD13 0.07 0.05 -0.19 -0.04 0.88 0.76 3f7pA1 ASP 233 H 0.04 0.19 0.03 -0.55 8.40 8.11 3f7pA1 ASP 233 HA 0.05 0.22 0.84 -0.75 4.63 4.99 3f7pA1 ASP 233 HB2 0.04 0.15 0.03 -0.04 2.71 2.88 3f7pA1 ASP 233 HB3 0.02 0.01 0.18 -0.04 2.70 2.87 3f7pA1 MET 234 H -0.07 0.42 -0.07 -0.55 8.47 8.20 3f7pA1 MET 234 HA -0.14 0.03 0.21 -0.75 4.52 3.86 3f7pA1 MET 234 HB2 -0.10 0.03 0.06 -0.04 2.15 2.10 3f7pA1 MET 234 HB3 -0.02 0.03 -0.03 -0.04 2.03 1.96 3f7pA1 MET 234 HG2 -0.46 0.07 -0.06 -0.04 2.63 2.14 3f7pA1 MET 234 HG3 -0.27 0.08 -0.03 -0.04 2.56 2.31 3f7pA1 MET 234 HE3 -0.37 0.01 -0.05 -0.04 2.10 1.65 3f7pA1 ASN 235 H 0.04 0.11 -0.33 -0.55 8.53 7.80 3f7pA1 ASN 235 HA 0.19 0.10 0.39 -0.75 4.76 4.69 3f7pA1 ASN 235 HB2 0.06 0.03 0.06 -0.04 2.88 2.99 3f7pA1 ASN 235 HB3 0.05 -0.03 0.03 -0.04 2.79 2.79 3f7pA1 ASN 235 HD21 0.02 0.01 -0.02 -0.04 7.03 7.00 3f7pA1 ASN 235 HD22 0.03 0.00 0.00 -0.04 7.74 7.74 3f7pA1 LYS 236 H 0.03 0.31 -0.18 -0.55 8.42 8.02 3f7pA1 LYS 236 HA 0.03 0.09 0.38 -0.75 4.32 4.07 3f7pA1 LYS 236 HB2 0.02 -0.03 0.08 -0.04 1.87 1.90 3f7pA1 LYS 236 HB3 0.01 0.08 0.04 -0.04 1.79 1.87 3f7pA1 LYS 236 HG2 0.01 -0.04 -0.05 -0.04 1.46 1.35 3f7pA1 LYS 236 HG3 0.02 0.01 0.00 -0.04 1.46 1.45 3f7pA1 LYS 236 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.62 3f7pA1 LYS 236 HD3 0.01 0.01 -0.01 -0.04 1.68 1.65 3f7pA1 LYS 236 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 3f7pA1 LYS 236 HE3 0.00 -0.03 -0.09 -0.04 2.99 2.84 3f7pA1 VAL 237 H -0.05 0.32 -0.17 -0.55 8.24 7.80 3f7pA1 VAL 237 HA -0.07 -0.01 0.40 -0.75 4.13 3.70 3f7pA1 VAL 237 HB -0.30 0.18 0.09 -0.04 2.12 2.04 3f7pA1 VAL 237 HG13 -0.25 -0.00 -0.14 -0.04 0.97 0.54 3f7pA1 VAL 237 HG23 -0.09 0.02 -0.13 -0.04 0.95 0.71 3f7pA1 TYR 238 H 0.02 0.43 -0.40 -0.55 8.29 7.79 3f7pA1 TYR 238 HA -0.02 0.04 0.43 -0.75 4.56 4.25 3f7pA1 TYR 238 HB2 -0.01 0.20 0.11 -0.04 3.06 3.32 3f7pA1 TYR 238 HB3 -0.01 -0.06 0.09 -0.04 2.98 2.96 3f7pA1 TYR 238 HD2 -0.02 0.00 -0.03 -0.04 7.15 7.06 3f7pA1 TYR 238 HE2 0.00 -0.00 -0.07 -0.04 6.85 6.74 3f7pA1 ARG 239 H 0.05 0.39 -0.65 -0.55 8.46 7.69 3f7pA1 ARG 239 HA 0.05 0.17 0.92 -0.75 4.34 4.73 3f7pA1 ARG 239 HB2 0.04 0.03 0.07 -0.04 1.90 2.00 3f7pA1 ARG 239 HB3 0.03 -0.08 0.13 -0.04 1.80 1.83 3f7pA1 ARG 239 HG2 0.04 -0.00 -0.04 -0.04 1.67 1.62 3f7pA1 ARG 239 HG3 0.08 0.03 -0.30 -0.04 1.67 1.44 3f7pA1 ARG 239 HD2 0.02 -0.05 -0.02 -0.04 3.22 3.14 3f7pA1 ARG 239 HD3 0.03 -0.03 -0.05 -0.04 3.22 3.13 3f7pA1 GLN 240 H 0.01 0.29 -0.10 -0.55 8.47 8.12 3f7pA1 GLN 240 HA 0.01 0.10 0.80 -0.75 4.36 4.51 3f7pA1 GLN 240 HB2 -0.02 0.09 0.08 -0.04 2.15 2.25 3f7pA1 GLN 240 HB3 -0.01 -0.15 0.04 -0.04 2.02 1.86 3f7pA1 GLN 240 HG2 0.00 -0.04 -0.03 -0.04 2.40 2.28 3f7pA1 GLN 240 HG3 0.00 0.28 -0.11 -0.04 2.39 2.52 3f7pA1 GLN 240 HE21 -0.02 0.01 -0.18 -0.04 6.97 6.75 3f7pA1 GLN 240 HE22 -0.03 0.03 -0.15 -0.04 7.69 7.50 3f7pA1 THR 241 H -0.00 0.05 0.17 -0.55 8.28 7.95 3f7pA1 THR 241 HA 0.00 0.19 0.49 -0.75 4.39 4.33 3f7pA1 THR 241 HB 0.00 -0.04 0.15 -0.04 4.32 4.39 3f7pA1 THR 241 HG23 0.01 0.05 0.07 -0.04 1.22 1.31 3f7pA1 ASN 242 H 0.01 0.17 0.18 -0.55 8.53 8.33 3f7pA1 ASN 242 HA 0.00 0.35 0.43 -0.75 4.76 4.79 3f7pA1 ASN 242 HB2 0.02 -0.08 0.12 -0.04 2.88 2.91 3f7pA1 ASN 242 HB3 0.03 0.19 0.06 -0.04 2.79 3.03 3f7pA1 ASN 242 HD21 0.02 0.01 -0.06 -0.04 7.03 6.96 3f7pA1 ASN 242 HD22 0.03 0.03 -0.10 -0.04 7.74 7.65 3f7pA1 LEU 243 H 0.01 0.06 -0.18 -0.55 8.37 7.71 3f7pA1 LEU 243 HA -0.00 0.08 0.40 -0.75 4.35 4.07 3f7pA1 LEU 243 HB2 0.00 -0.04 0.08 -0.04 1.64 1.65 3f7pA1 LEU 243 HB3 0.00 0.04 -0.06 -0.04 1.64 1.58 3f7pA1 LEU 243 HG 0.02 0.01 0.01 -0.04 1.64 1.64 3f7pA1 LEU 243 HD13 0.01 0.02 -0.00 -0.04 0.93 0.92 3f7pA1 LEU 243 HD23 0.03 0.01 -0.14 -0.04 0.89 0.75 3f7pA1 GLU 244 H -0.01 0.03 -0.14 -0.55 8.60 7.94 3f7pA1 GLU 244 HA -0.02 0.04 0.41 -0.75 4.29 3.97 3f7pA1 GLU 244 HB2 -0.01 0.01 0.15 -0.04 2.09 2.20 3f7pA1 GLU 244 HB3 -0.01 0.07 0.01 -0.04 1.99 2.02 3f7pA1 GLU 244 HG2 -0.00 0.06 0.06 -0.04 2.34 2.42 3f7pA1 GLU 244 HG3 -0.00 -0.08 0.08 -0.04 2.34 2.29 3f7pA1 ASN 245 H -0.03 0.61 -0.27 -0.55 8.53 8.30 3f7pA1 ASN 245 HA -0.05 -0.01 0.36 -0.75 4.76 4.31 3f7pA1 ASN 245 HB2 -0.03 0.22 0.09 -0.04 2.88 3.12 3f7pA1 ASN 245 HB3 -0.03 -0.07 -0.12 -0.04 2.79 2.53 3f7pA1 ASN 245 HD21 -0.05 0.42 0.09 -0.04 7.03 7.45 3f7pA1 ASN 245 HD22 -0.04 0.08 -0.10 -0.04 7.74 7.64 3f7pA1 LEU 246 H -0.08 0.63 -0.04 -0.55 8.37 8.34 3f7pA1 LEU 246 HA -0.42 -0.02 0.48 -0.75 4.35 3.63 3f7pA1 LEU 246 HB2 -0.10 0.03 0.23 -0.04 1.64 1.75 3f7pA1 LEU 246 HB3 -0.33 -0.09 0.01 -0.04 1.64 1.19 3f7pA1 LEU 246 HG 0.00 0.18 -0.02 -0.04 1.64 1.77 3f7pA1 LEU 246 HD13 0.08 0.04 -0.08 -0.04 0.93 0.93 3f7pA1 LEU 246 HD23 0.19 -0.00 -0.01 -0.04 0.89 1.03 3f7pA1 ASP 247 H -0.12 0.70 -0.02 -0.55 8.40 8.41 3f7pA1 ASP 247 HA -0.04 -0.02 0.39 -0.75 4.63 4.20 3f7pA1 ASP 247 HB2 -0.01 -0.07 0.11 -0.04 2.71 2.70 3f7pA1 ASP 247 HB3 -0.03 0.11 0.13 -0.04 2.70 2.87 3f7pA1 GLN 248 H -0.07 0.62 -0.11 -0.55 8.47 8.36 3f7pA1 GLN 248 HA -0.00 -0.02 0.41 -0.75 4.36 4.00 3f7pA1 GLN 248 HB2 -0.03 0.16 0.16 -0.04 2.15 2.41 3f7pA1 GLN 248 HB3 -0.03 0.05 0.14 -0.04 2.02 2.15 3f7pA1 GLN 248 HG2 0.01 0.02 -0.02 -0.04 2.40 2.36 3f7pA1 GLN 248 HG3 0.00 -0.03 0.04 -0.04 2.39 2.37 3f7pA1 GLN 248 HE21 -0.01 -0.08 -0.07 -0.04 6.97 6.77 3f7pA1 GLN 248 HE22 -0.00 0.05 -0.07 -0.04 7.69 7.64 3f7pA1 ALA 249 H -0.11 0.69 -0.04 -0.55 8.40 8.38 3f7pA1 ALA 249 HA 0.05 0.01 0.37 -0.75 4.34 4.02 3f7pA1 ALA 249 HB3 -0.06 0.01 0.03 -0.04 1.41 1.34 3f7pA1 PHE 250 H -0.35 0.61 -0.01 -0.55 8.34 8.03 3f7pA1 PHE 250 HA 0.05 0.02 0.36 -0.75 4.62 4.29 3f7pA1 PHE 250 HB2 -0.07 0.04 0.11 -0.04 3.15 3.19 3f7pA1 PHE 250 HB3 -0.10 -0.03 0.03 -0.04 3.06 2.91 3f7pA1 PHE 250 HD2 -0.20 -0.02 -0.11 -0.04 7.28 6.91 3f7pA1 PHE 250 HE2 -0.91 -0.08 -0.28 -0.04 7.38 6.07 3f7pA1 PHE 250 HZ -0.35 -0.05 -0.12 -0.04 7.32 6.76 3f7pA1 SER 251 H 0.09 0.67 -0.17 -0.55 8.46 8.51 3f7pA1 SER 251 HA 0.08 -0.02 0.44 -0.75 4.49 4.24 3f7pA1 SER 251 HB2 0.05 -0.04 0.11 -0.04 3.95 4.03 3f7pA1 SER 251 HB3 0.04 0.11 0.21 -0.04 3.93 4.25 3f7pA1 VAL 252 H 0.07 0.71 0.06 -0.55 8.24 8.53 3f7pA1 VAL 252 HA 0.06 -0.02 0.43 -0.75 4.13 3.85 3f7pA1 VAL 252 HB 0.09 0.05 0.16 -0.04 2.12 2.38 3f7pA1 VAL 252 HG13 0.08 -0.01 -0.14 -0.04 0.97 0.86 3f7pA1 VAL 252 HG23 0.05 0.06 0.08 -0.04 0.95 1.10 3f7pA1 ALA 253 H 0.13 0.70 -0.00 -0.55 8.40 8.69 3f7pA1 ALA 253 HA 0.10 0.03 0.39 -0.75 4.34 4.10 3f7pA1 ALA 253 HB3 0.17 0.01 0.05 -0.04 1.41 1.60 3f7pA1 GLU 254 H 0.11 0.41 -0.43 -0.55 8.60 8.14 3f7pA1 GLU 254 HA 0.06 0.06 0.48 -0.75 4.29 4.13 3f7pA1 GLU 254 HB2 0.08 0.07 0.12 -0.04 2.09 2.32 3f7pA1 GLU 254 HB3 0.07 0.08 0.23 -0.04 1.99 2.32 3f7pA1 GLU 254 HG2 0.03 -0.00 -0.29 -0.04 2.34 2.04 3f7pA1 GLU 254 HG3 0.03 -0.04 -0.09 -0.04 2.34 2.20 3f7pA1 ARG 255 H 0.05 0.58 0.15 -0.55 8.46 8.69 3f7pA1 ARG 255 HA 0.03 0.07 0.48 -0.75 4.34 4.17 3f7pA1 ARG 255 HB2 0.03 -0.06 0.12 -0.04 1.90 1.94 3f7pA1 ARG 255 HB3 0.04 0.02 0.15 -0.04 1.80 1.96 3f7pA1 ARG 255 HG2 0.04 0.05 0.04 -0.04 1.67 1.76 3f7pA1 ARG 255 HG3 0.03 0.03 -0.34 -0.04 1.67 1.35 3f7pA1 ARG 255 HD2 0.02 -0.03 -0.01 -0.04 3.22 3.16 3f7pA1 ARG 255 HD3 0.03 -0.04 -0.01 -0.04 3.22 3.15 3f7pA1 ASP 256 H 0.05 0.60 -0.06 -0.55 8.40 8.44 3f7pA1 ASP 256 HA 0.04 0.19 0.97 -0.75 4.63 5.07 3f7pA1 ASP 256 HB2 0.06 0.12 0.05 -0.04 2.71 2.90 3f7pA1 ASP 256 HB3 0.06 -0.02 0.06 -0.04 2.70 2.75 3f7pA1 LEU 257 H 0.05 0.20 -0.07 -0.55 8.37 8.00 3f7pA1 LEU 257 HA 0.05 0.22 0.98 -0.75 4.35 4.84 3f7pA1 LEU 257 HB2 0.04 0.08 0.17 -0.04 1.64 1.88 3f7pA1 LEU 257 HB3 0.01 0.06 0.18 -0.04 1.64 1.85 3f7pA1 LEU 257 HG 0.09 -0.12 -0.21 -0.04 1.64 1.36 3f7pA1 LEU 257 HD13 0.06 -0.01 -0.02 -0.04 0.93 0.92 3f7pA1 LEU 257 HD23 0.13 0.09 -0.08 -0.04 0.89 1.00 3f7pA1 GLY 258 H 0.03 0.14 -0.06 -0.55 8.43 7.99 3f7pA1 GLY 258 HA2 0.01 0.09 0.34 -0.51 4.01 3.94 3f7pA1 GLY 258 HA3 0.00 0.01 0.40 -0.51 4.01 3.91 3f7pA1 VAL 259 H 0.03 0.47 -0.09 -0.55 8.24 8.09 3f7pA1 VAL 259 HA -0.01 0.14 0.78 -0.75 4.13 4.29 3f7pA1 VAL 259 HB 0.04 -0.13 -0.17 -0.04 2.12 1.82 3f7pA1 VAL 259 HG13 -0.15 -0.00 -0.22 -0.04 0.97 0.56 3f7pA1 VAL 259 HG23 -0.03 0.04 -0.12 -0.04 0.95 0.79 3f7pA1 THR 260 H -0.00 0.20 0.07 -0.55 8.28 8.01 3f7pA1 THR 260 HA 0.01 0.02 0.29 -0.75 4.39 3.95 3f7pA1 THR 260 HB 0.01 -0.04 0.01 -0.04 4.32 4.26 3f7pA1 THR 260 HG23 -0.02 -0.00 -0.24 -0.04 1.22 0.92 3f7pA1 ARG 261 H 0.01 0.12 0.09 -0.55 8.46 8.12 3f7pA1 ARG 261 HA -0.08 0.10 0.58 -0.75 4.34 4.18 3f7pA1 ARG 261 HB2 -0.04 -0.04 0.17 -0.04 1.90 1.95 3f7pA1 ARG 261 HB3 -0.13 0.01 0.02 -0.04 1.80 1.66 3f7pA1 ARG 261 HG2 0.04 0.10 -0.03 -0.04 1.67 1.73 3f7pA1 ARG 261 HG3 0.03 0.04 0.05 -0.04 1.67 1.75 3f7pA1 ARG 261 HD2 0.05 0.03 -0.05 -0.04 3.22 3.21 3f7pA1 ARG 261 HD3 0.01 -0.04 -0.00 -0.04 3.22 3.14 3f7pA1 LEU 262 H -0.09 0.31 0.15 -0.55 8.37 8.20 3f7pA1 LEU 262 HA -0.02 0.09 0.39 -0.75 4.35 4.06 3f7pA1 LEU 262 HB2 0.03 -0.03 0.03 -0.04 1.64 1.62 3f7pA1 LEU 262 HB3 0.07 -0.07 0.03 -0.04 1.64 1.63 3f7pA1 LEU 262 HG 0.22 0.26 -0.07 -0.04 1.64 2.01 3f7pA1 LEU 262 HD13 0.29 -0.01 -0.13 -0.04 0.93 1.05 3f7pA1 LEU 262 HD23 0.11 -0.01 -0.33 -0.04 0.89 0.62 3f7pA1 LEU 263 H -0.73 0.12 -0.09 -0.55 8.37 7.12 3f7pA1 LEU 263 HA -0.23 0.13 0.81 -0.75 4.35 4.30 3f7pA1 LEU 263 HB2 -1.14 0.02 -0.12 -0.04 1.64 0.36 3f7pA1 LEU 263 HB3 -0.26 0.00 -0.10 -0.04 1.64 1.24 3f7pA1 LEU 263 HG -0.63 -0.03 -0.12 -0.04 1.64 0.82 3f7pA1 LEU 263 HD13 -0.26 0.01 -0.12 -0.04 0.93 0.52 3f7pA1 LEU 263 HD23 -0.10 0.05 -0.28 -0.04 0.89 0.51 3f7pA1 ASP 264 H -0.09 0.11 0.08 -0.55 8.40 7.95 3f7pA1 ASP 264 HA 0.01 0.29 0.78 -0.75 4.63 4.95 3f7pA1 ASP 264 HB2 -0.01 -0.09 0.07 -0.04 2.71 2.64 3f7pA1 ASP 264 HB3 0.02 -0.04 0.03 -0.04 2.70 2.67 3f7pA1 PRO 265 HA 0.21 0.11 0.38 -0.51 4.44 4.62 3f7pA1 PRO 265 HB2 0.05 -0.02 0.09 -0.04 2.28 2.35 3f7pA1 PRO 265 HB3 0.01 0.07 0.11 -0.04 2.02 2.17 3f7pA1 PRO 265 HG2 0.06 0.07 0.08 -0.04 2.03 2.20 3f7pA1 PRO 265 HG3 0.10 0.10 -0.06 -0.04 2.03 2.12 3f7pA1 PRO 265 HD2 0.08 0.08 0.18 -0.04 3.68 3.98 3f7pA1 PRO 265 HD3 0.19 0.30 0.18 -0.04 3.65 4.28 3f7pA1 GLU 266 H 0.05 0.17 -0.14 -0.55 8.60 8.13 3f7pA1 GLU 266 HA 0.04 0.09 0.33 -0.75 4.29 4.00 3f7pA1 GLU 266 HB2 0.02 0.05 0.03 -0.04 2.09 2.16 3f7pA1 GLU 266 HB3 0.02 0.02 0.08 -0.04 1.99 2.07 3f7pA1 GLU 266 HG2 0.02 -0.04 -0.13 -0.04 2.34 2.14 3f7pA1 GLU 266 HG3 0.01 0.05 -0.07 -0.04 2.34 2.29 3f7pA1 ASP 267 H 0.04 0.27 -0.62 -0.55 8.40 7.54 3f7pA1 ASP 267 HA 0.02 0.12 0.55 -0.75 4.63 4.56 3f7pA1 ASP 267 HB2 -0.00 0.08 0.07 -0.04 2.71 2.82 3f7pA1 ASP 267 HB3 -0.01 -0.07 0.06 -0.04 2.70 2.65 3f7pA1 VAL 268 H 0.10 0.50 -0.18 -0.55 8.24 8.11 3f7pA1 VAL 268 HA 0.12 0.06 0.84 -0.75 4.13 4.39 3f7pA1 VAL 268 HB 0.23 0.08 0.08 -0.04 2.12 2.47 3f7pA1 VAL 268 HG13 0.36 -0.00 -0.13 -0.04 0.97 1.15 3f7pA1 VAL 268 HG23 0.20 0.00 -0.17 -0.04 0.95 0.93 3f7pA1 ASP 269 H 0.08 0.41 0.05 -0.55 8.40 8.39 3f7pA1 ASP 269 HA 0.07 0.17 0.53 -0.75 4.63 4.65 3f7pA1 ASP 269 HB2 0.05 0.00 0.02 -0.04 2.71 2.74 3f7pA1 ASP 269 HB3 0.04 -0.03 0.14 -0.04 2.70 2.81 3f7pA1 VAL 270 H 0.07 0.66 0.21 -0.55 8.24 8.63 3f7pA1 VAL 270 HA 0.03 0.14 0.65 -0.75 4.13 4.20 3f7pA1 VAL 270 HB 0.03 -0.07 -0.05 -0.04 2.12 1.98 3f7pA1 VAL 270 HG13 0.03 -0.01 -0.40 -0.04 0.97 0.54 3f7pA1 VAL 270 HG23 0.04 -0.01 -0.48 -0.04 0.95 0.46 3f7pA1 PRO 271 HA 0.03 0.08 0.41 -0.51 4.44 4.45 3f7pA1 PRO 271 HB2 0.02 -0.01 0.07 -0.04 2.28 2.32 3f7pA1 PRO 271 HB3 0.02 0.04 0.09 -0.04 2.02 2.13 3f7pA1 PRO 271 HG2 0.01 0.04 0.09 -0.04 2.03 2.13 3f7pA1 PRO 271 HG3 0.02 0.07 0.07 -0.04 2.03 2.14 3f7pA1 PRO 271 HD2 0.02 0.07 0.16 -0.04 3.68 3.89 3f7pA1 PRO 271 HD3 0.02 0.17 0.17 -0.04 3.65 3.98 3f7pA1 GLN 272 H 0.03 0.11 -0.22 -0.55 8.47 7.83 3f7pA1 GLN 272 HA 0.05 0.16 0.88 -0.75 4.36 4.69 3f7pA1 GLN 272 HB2 0.02 -0.05 0.08 -0.04 2.15 2.16 3f7pA1 GLN 272 HB3 0.02 0.01 0.06 -0.04 2.02 2.07 3f7pA1 GLN 272 HG2 0.02 0.05 -0.27 -0.04 2.40 2.16 3f7pA1 GLN 272 HG3 0.02 -0.01 -0.02 -0.04 2.39 2.33 3f7pA1 GLN 272 HE21 0.04 -0.10 0.05 -0.04 6.97 6.92 3f7pA1 GLN 272 HE22 0.02 0.01 0.01 -0.04 7.69 7.69 3f7pA1 PRO 273 HA 0.04 0.11 0.41 -0.51 4.44 4.49 3f7pA1 PRO 273 HB2 0.10 -0.01 -0.11 -0.04 2.28 2.22 3f7pA1 PRO 273 HB3 0.10 0.09 0.11 -0.04 2.02 2.28 3f7pA1 PRO 273 HG2 0.18 0.18 -0.16 -0.04 2.03 2.19 3f7pA1 PRO 273 HG3 0.12 0.32 0.02 -0.04 2.03 2.44 3f7pA1 PRO 273 HD2 0.10 -0.21 -0.13 -0.04 3.68 3.40 3f7pA1 PRO 273 HD3 0.08 0.38 -0.33 -0.04 3.65 3.74 3f7pA1 ASP 274 H -0.00 0.20 0.15 -0.55 8.40 8.21 3f7pA1 ASP 274 HA -0.05 0.07 0.69 -0.75 4.63 4.59 3f7pA1 ASP 274 HB2 -0.08 0.03 0.20 -0.04 2.71 2.82 3f7pA1 ASP 274 HB3 -0.08 0.04 0.18 -0.04 2.70 2.80 3f7pA1 GLU 275 H -0.06 0.18 0.19 -0.55 8.60 8.37 3f7pA1 GLU 275 HA 0.03 0.37 0.32 -0.75 4.29 4.25 3f7pA1 GLU 275 HB2 0.01 0.05 0.10 -0.04 2.09 2.21 3f7pA1 GLU 275 HB3 -0.08 -0.05 0.12 -0.04 1.99 1.94 3f7pA1 GLU 275 HG2 0.02 0.01 -0.15 -0.04 2.34 2.17 3f7pA1 GLU 275 HG3 0.18 -0.03 -0.05 -0.04 2.34 2.39 3f7pA1 LYS 276 H -0.26 0.08 -0.06 -0.55 8.42 7.63 3f7pA1 LYS 276 HA -0.41 0.09 0.34 -0.75 4.32 3.59 3f7pA1 LYS 276 HB2 -0.44 -0.06 0.03 -0.04 1.87 1.36 3f7pA1 LYS 276 HB3 -0.69 0.09 -0.03 -0.04 1.79 1.13 3f7pA1 LYS 276 HG2 -1.80 0.06 0.01 -0.04 1.46 -0.32 3f7pA1 LYS 276 HG3 -0.65 -0.07 0.04 -0.04 1.46 0.74 3f7pA1 LYS 276 HD2 -0.63 -0.03 -0.02 -0.04 1.69 0.97 3f7pA1 LYS 276 HD3 -2.18 0.05 -0.02 -0.04 1.68 -0.51 3f7pA1 LYS 276 HE2 -0.93 0.04 -0.02 -0.04 2.99 2.04 3f7pA1 LYS 276 HE3 -0.48 -0.04 -0.01 -0.04 2.99 2.42 3f7pA1 SER 277 H -0.13 0.05 -0.42 -0.55 8.46 7.41 3f7pA1 SER 277 HA 0.05 0.10 0.47 -0.75 4.49 4.35 3f7pA1 SER 277 HB2 -0.06 0.08 0.08 -0.04 3.95 4.01 3f7pA1 SER 277 HB3 -0.04 0.05 -0.09 -0.04 3.93 3.81 3f7pA1 ILE 278 H -0.04 0.49 -0.03 -0.55 8.25 8.12 3f7pA1 ILE 278 HA 0.03 0.01 0.40 -0.75 4.18 3.86 3f7pA1 ILE 278 HB -0.07 0.18 0.25 -0.04 1.89 2.21 3f7pA1 ILE 278 HG12 0.03 0.14 0.01 -0.04 1.49 1.62 3f7pA1 ILE 278 HG13 0.08 0.06 -0.07 -0.04 1.21 1.24 3f7pA1 ILE 278 HG23 -0.55 -0.04 -0.16 -0.04 0.93 0.14 3f7pA1 ILE 278 HD13 0.16 -0.03 -0.06 -0.04 0.88 0.91 3f7pA1 ILE 279 H -0.17 0.67 -0.02 -0.55 8.25 8.18 3f7pA1 ILE 279 HA -0.56 -0.00 0.28 -0.75 4.18 3.14 3f7pA1 ILE 279 HB -0.02 0.03 0.09 -0.04 1.89 1.95 3f7pA1 ILE 279 HG12 -1.35 -0.01 -0.01 -0.04 1.49 0.08 3f7pA1 ILE 279 HG13 -0.36 0.16 0.06 -0.04 1.21 1.03 3f7pA1 ILE 279 HG23 -0.09 0.00 -0.17 -0.04 0.93 0.63 3f7pA1 ILE 279 HD13 -0.03 -0.05 -0.11 -0.04 0.88 0.66 3f7pA1 THR 280 H 0.04 0.50 -0.26 -0.55 8.28 8.01 3f7pA1 THR 280 HA -0.04 0.03 0.35 -0.75 4.39 3.98 3f7pA1 THR 280 HB 0.09 0.06 0.12 -0.04 4.32 4.55 3f7pA1 THR 280 HG23 -0.16 -0.00 -0.11 -0.04 1.22 0.90 3f7pA1 TYR 281 H 0.12 0.48 -0.16 -0.55 8.29 8.17 3f7pA1 TYR 281 HA 0.00 0.08 0.40 -0.75 4.56 4.29 3f7pA1 TYR 281 HB2 -0.09 -0.04 0.08 -0.04 3.06 2.97 3f7pA1 TYR 281 HB3 -0.03 0.04 0.12 -0.04 2.98 3.08 3f7pA1 TYR 281 HD2 -0.08 -0.02 -0.06 -0.04 7.15 6.95 3f7pA1 TYR 281 HE2 -0.18 0.15 -0.07 -0.04 6.85 6.71 3f7pA1 VAL 282 H 0.01 0.72 0.01 -0.55 8.24 8.43 3f7pA1 VAL 282 HA 0.13 0.02 0.37 -0.75 4.13 3.90 3f7pA1 VAL 282 HB -0.12 0.03 0.03 -0.04 2.12 2.03 3f7pA1 VAL 282 HG13 0.47 -0.00 -0.13 -0.04 0.97 1.27 3f7pA1 VAL 282 HG23 -0.58 0.02 -0.05 -0.04 0.95 0.30 3f7pA1 SER 283 H -0.08 0.57 -0.29 -0.55 8.46 8.13 3f7pA1 SER 283 HA -0.15 -0.01 0.38 -0.75 4.49 3.96 3f7pA1 SER 283 HB2 -0.13 -0.11 0.05 -0.04 3.95 3.72 3f7pA1 SER 283 HB3 -0.07 0.17 0.13 -0.04 3.93 4.12 3f7pA1 SER 284 H -0.07 0.34 -0.34 -0.55 8.46 7.84 3f7pA1 SER 284 HA -0.00 0.08 0.50 -0.75 4.49 4.31 3f7pA1 SER 284 HB2 -0.01 -0.02 0.12 -0.04 3.95 3.99 3f7pA1 SER 284 HB3 0.08 -0.01 0.09 -0.04 3.93 4.06 3f7pA1 LEU 285 H -0.11 0.30 -0.38 -0.55 8.37 7.63 3f7pA1 LEU 285 HA -0.06 0.08 0.53 -0.75 4.35 4.15 3f7pA1 LEU 285 HB2 0.21 0.20 0.20 -0.04 1.64 2.20 3f7pA1 LEU 285 HB3 0.31 -0.02 -0.08 -0.04 1.64 1.81 3f7pA1 LEU 285 HG -0.35 0.10 -0.04 -0.04 1.64 1.30 3f7pA1 LEU 285 HD13 0.45 -0.05 -0.05 -0.04 0.93 1.24 3f7pA1 LEU 285 HD23 0.01 0.00 -0.06 -0.04 0.89 0.80 3f7pA1 TYR 286 H -0.13 0.42 -0.01 -0.55 8.29 8.02 3f7pA1 TYR 286 HA -0.52 0.01 0.41 -0.75 4.56 3.70 3f7pA1 TYR 286 HB2 -1.74 -0.10 0.10 -0.04 3.06 1.28 3f7pA1 TYR 286 HB3 -0.55 0.18 0.19 -0.04 2.98 2.75 3f7pA1 TYR 286 HD2 -1.28 0.03 -0.07 -0.04 7.15 5.78 3f7pA1 TYR 286 HE2 -0.22 0.08 -0.02 -0.04 6.85 6.65 3f7pA1 ASP 287 H -0.06 0.40 -0.22 -0.55 8.40 7.97 3f7pA1 ASP 287 HA -0.20 0.03 0.43 -0.75 4.63 4.13 3f7pA1 ASP 287 HB2 -0.02 0.01 0.15 -0.04 2.71 2.80 3f7pA1 ASP 287 HB3 -0.03 -0.02 0.00 -0.04 2.70 2.61 3f7pA1 ALA 288 H -0.10 0.30 -0.37 -0.55 8.40 7.67 3f7pA1 ALA 288 HA -0.08 0.04 0.53 -0.75 4.34 4.08 3f7pA1 ALA 288 HB3 -0.06 -0.01 0.16 -0.04 1.41 1.46 3f7pA1 MET 289 H -0.25 0.50 -0.76 -0.55 8.47 7.42 3f7pA1 MET 289 HA -0.17 0.14 0.86 -0.75 4.52 4.59 3f7pA1 MET 289 HB2 -0.03 0.00 0.02 -0.04 2.15 2.10 3f7pA1 MET 289 HB3 0.00 -0.09 -0.01 -0.04 2.03 1.89 3f7pA1 MET 289 HG2 -1.25 0.01 -0.05 -0.04 2.63 1.30 3f7pA1 MET 289 HG3 -0.27 0.05 -0.74 -0.04 2.56 1.57 3f7pA1 MET 289 HE3 0.03 -0.03 -0.14 -0.04 2.10 1.91 3f7pA1 PRO 290 HA -0.05 0.15 0.29 -0.51 4.44 4.32 3f7pA1 PRO 290 HB2 0.07 -0.02 0.10 -0.04 2.28 2.39 3f7pA1 PRO 290 HB3 0.03 -0.01 0.08 -0.04 2.02 2.08 3f7pA1 PRO 290 HG2 0.13 0.00 0.08 -0.04 2.03 2.20 3f7pA1 PRO 290 HG3 0.07 0.05 0.04 -0.04 2.03 2.15 3f7pA1 PRO 290 HD2 0.28 0.09 0.16 -0.04 3.68 4.17 3f7pA1 PRO 290 HD3 0.17 0.24 0.22 -0.04 3.65 4.23