#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hb4 s GLN 2 N 0.00 3.01 -0.23 0.54 0.74 -1.26 -5.11 119.66 117.36 2hb4 s GLN 2 Ca 0.00 -0.83 -0.02 0.00 0.05 0.00 0.00 55.36 54.56 2hb4 s GLN 2 Cb 0.00 -2.55 0.02 0.00 1.10 0.00 0.00 33.01 31.58 2hb4 s GLN 2 CO 0.00 -0.16 -0.07 0.42 -0.55 0.00 0.00 175.29 174.93 2hb4 s ILE 3 N 1.17 2.91 0.78 -2.34 1.01 -1.26 -5.11 121.20 118.36 2hb4 s ILE 3 Ca 0.02 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 2hb4 s ILE 3 Cb -0.14 -2.41 0.09 0.00 0.01 0.00 0.00 42.46 40.01 2hb4 s ILE 3 CO -0.10 0.29 1.13 0.42 0.00 0.00 0.00 174.94 176.69 2hb4 s THR 4 N 1.36 2.11 -0.07 2.92 -4.23 -1.26 -5.02 115.64 111.45 2hb4 s THR 4 Ca 0.02 -0.12 0.11 0.00 -1.18 0.00 0.00 61.69 60.52 2hb4 s THR 4 Cb -0.16 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.86 2hb4 s THR 4 CO -0.05 0.00 1.05 0.18 -0.54 0.00 0.00 174.62 175.26 2hb4 n LEU 5 N -3.20 1.58 0.29 4.79 4.77 -1.26 -4.65 117.00 119.31 2hb4 n LEU 5 Ca 0.09 -2.24 0.16 0.00 -0.03 0.00 0.00 56.01 53.99 2hb4 n LEU 5 Cb 0.61 -0.24 0.85 0.00 -2.33 0.00 0.00 43.42 42.30 2hb4 n LEU 5 CO 0.53 0.53 1.04 -0.50 -1.33 0.00 0.00 177.39 177.66 2hb4 h TRP 6 N 0.00 0.00 -3.53 -1.77 4.06 -2.06 -3.43 115.95 109.22 2hb4 h TRP 6 Ca 0.00 0.00 -0.41 0.00 2.06 0.00 0.00 58.89 60.54 2hb4 h TRP 6 Cb 1.03 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 29.02 2hb4 h TRP 6 CO 0.03 0.06 -0.75 0.21 -3.56 0.00 0.00 178.44 174.42 2hb4 s LYS 7 N -4.13 1.04 0.28 0.49 2.20 -1.26 -5.11 119.74 113.25 2hb4 s LYS 7 Ca -0.03 -1.27 -0.30 0.00 -0.36 0.00 0.00 55.97 54.00 2hb4 s LYS 7 Cb 0.13 -0.90 -0.12 0.00 -1.51 0.00 0.00 37.83 35.43 2hb4 s LYS 7 CO 0.53 0.17 1.63 0.54 -0.36 0.00 0.00 175.35 177.86 2hb4 n ARG 8 N 0.43 2.73 -2.41 4.03 1.74 -1.26 -4.89 116.66 117.04 2hb4 n ARG 8 Ca -0.15 0.97 -0.43 0.00 -0.77 0.00 0.00 57.85 57.48 2hb4 n ARG 8 Cb 0.57 -2.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.24 2hb4 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2hb4 n PRO 9 N 2.54 3.15 -3.16 5.56 -0.04 -1.26 -4.94 135.00 136.86 2hb4 n PRO 9 Ca 0.10 -3.19 -0.40 0.00 -0.04 0.00 0.00 63.50 59.97 2hb4 n PRO 9 Cb 0.36 -3.38 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 2hb4 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hb4 s LEU 10 N 3.27 4.13 0.31 1.53 1.43 -1.26 -0.99 118.68 127.10 2hb4 s LEU 10 Ca 0.51 0.76 0.10 0.00 -1.03 0.00 0.00 54.13 54.47 2hb4 s LEU 10 Cb 0.06 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 2hb4 s LEU 10 CO 0.03 -0.26 -0.09 0.68 0.23 0.00 0.00 176.35 176.94 2hb4 s VAL 11 N 1.92 2.65 -0.06 -1.59 -7.23 -0.16 -4.92 120.40 111.02 2hb4 s VAL 11 Ca 0.27 -2.16 -0.27 0.00 -1.81 0.00 0.00 61.98 58.01 2hb4 s VAL 11 Cb -0.16 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2hb4 s VAL 11 CO 0.10 -0.30 0.86 -0.89 -0.31 0.00 0.00 175.10 174.55 2hb4 s THR 12 N -2.50 4.93 0.19 5.32 2.01 -1.26 -0.49 115.64 123.84 2hb4 s THR 12 Ca 0.32 1.77 0.08 0.00 0.31 0.00 0.00 61.69 64.17 2hb4 s THR 12 Cb -0.02 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2hb4 s THR 12 CO 0.17 0.15 -0.00 0.27 -0.69 0.00 0.00 174.62 174.52 2hb4 s ILE 13 N 1.23 3.64 -0.20 1.82 -4.36 -0.17 -2.68 121.20 120.48 2hb4 s ILE 13 Ca 0.44 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.30 2hb4 s ILE 13 Cb -0.19 -2.85 0.02 0.00 1.25 0.00 0.00 42.46 40.69 2hb4 s ILE 13 CO 0.21 -0.17 -0.17 -0.75 0.24 0.00 0.00 174.94 174.30 2hb4 s LYS 14 N -3.10 2.93 -0.12 0.37 2.20 0.13 -1.87 119.74 120.27 2hb4 s LYS 14 Ca 0.28 -0.88 -0.05 0.00 -0.36 0.00 0.00 55.97 54.97 2hb4 s LYS 14 Cb -0.09 -2.68 0.06 0.00 -1.51 0.00 0.00 37.83 33.62 2hb4 s LYS 14 CO 0.19 -0.26 0.25 -1.50 -0.36 0.00 0.00 175.35 173.67 2hb4 s ILE 15 N 1.29 -0.36 -1.05 5.43 2.07 0.56 -1.39 121.20 127.75 2hb4 s ILE 15 Ca 0.03 0.27 -0.02 0.00 -1.41 0.00 0.00 60.65 59.52 2hb4 s ILE 15 Cb -0.14 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.03 2hb4 s ILE 15 CO -0.11 0.11 0.89 0.61 -1.91 0.00 0.00 174.94 174.54 2hb4 n GLY 16 N 5.22 -0.26 1.74 1.50 0.00 -1.26 -1.97 105.19 110.16 2hb4 n GLY 16 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2hb4 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hb4 n GLY 17 N -1.29 2.34 3.89 -0.02 0.00 -1.26 -5.02 105.19 103.83 2hb4 n GLY 17 Ca -0.18 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 2hb4 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hb4 s GLN 18 N 0.00 3.52 0.09 1.61 -0.21 -0.83 -5.06 119.66 118.77 2hb4 s GLN 18 Ca 0.00 -0.16 -0.21 0.00 0.02 0.00 0.00 55.36 55.01 2hb4 s GLN 18 Cb 0.00 -3.10 -0.07 0.00 1.00 0.00 0.00 33.01 30.85 2hb4 s GLN 18 CO 0.00 0.67 0.64 -0.51 -2.12 0.00 0.00 175.29 173.97 2hb4 s LEU 19 N -1.74 4.53 0.01 2.90 1.43 -1.26 -0.32 118.68 124.22 2hb4 s LEU 19 Ca 0.26 1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 54.60 2hb4 s LEU 19 Cb -0.13 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.08 2hb4 s LEU 19 CO 0.16 0.22 0.24 -0.54 0.23 0.00 0.00 176.35 176.66 2hb4 s LYS 20 N -0.93 0.64 -0.13 1.70 3.01 -0.78 -5.00 119.74 118.24 2hb4 s LYS 20 Ca 0.32 -0.36 -0.07 0.00 -1.01 0.00 0.00 55.97 54.84 2hb4 s LYS 20 Cb -0.20 0.28 -0.04 0.00 -1.01 0.00 0.00 37.83 36.85 2hb4 s LYS 20 CO 0.21 -0.18 0.13 -2.00 0.51 0.00 0.00 175.35 174.02 2hb4 s GLU 21 N -1.70 3.53 0.00 1.68 2.56 -1.26 -1.00 118.70 122.50 2hb4 s GLU 21 Ca -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.97 54.67 2hb4 s GLU 21 Cb -0.05 -3.20 -0.01 0.00 2.00 0.00 0.00 34.13 32.87 2hb4 s GLU 21 CO 0.01 0.71 0.05 0.00 -0.56 0.00 0.00 175.26 175.47 2hb4 s ALA 22 N -0.83 -0.10 -0.22 6.30 0.00 0.35 -4.68 121.76 122.59 2hb4 s ALA 22 Ca 0.14 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.57 2hb4 s ALA 22 Cb -0.12 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2hb4 s ALA 22 CO 0.03 -0.14 1.13 -1.17 0.00 0.00 0.00 175.76 175.61 2hb4 s LEU 23 N -1.05 4.10 -0.63 0.00 2.96 0.13 -0.99 118.68 123.20 2hb4 s LEU 23 Ca -0.11 1.44 -0.27 0.00 -0.22 0.00 0.00 54.13 54.97 2hb4 s LEU 23 Cb -0.07 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 2hb4 s LEU 23 CO 0.00 -0.74 1.78 -0.76 -1.32 0.00 0.00 176.35 175.31 2hb4 s LEU 24 N 3.40 3.27 -0.39 -0.68 1.43 -0.16 -0.39 118.68 125.16 2hb4 s LEU 24 Ca 0.48 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2hb4 s LEU 24 Cb -0.17 -2.53 0.11 0.00 0.03 0.00 0.00 46.19 43.63 2hb4 s LEU 24 CO 0.10 -2.31 0.13 -0.62 0.23 0.00 0.00 176.35 173.89 2hb4 s ASP 25 N 7.50 4.38 0.00 2.29 -1.08 -0.66 -4.82 116.67 124.28 2hb4 s ASP 25 Ca 0.63 -2.34 0.21 0.00 -0.52 0.00 0.00 52.55 50.53 2hb4 s ASP 25 Cb -0.12 -1.42 1.06 0.00 -1.46 0.00 0.00 42.92 40.98 2hb4 s ASP 25 CO 0.20 -0.34 1.69 0.35 0.52 0.00 0.00 175.17 177.59 2hb4 n THR 26 N 3.99 0.36 1.50 1.71 -2.24 -1.26 -2.05 114.28 116.29 2hb4 n THR 26 Ca 0.04 0.09 0.14 0.00 -2.27 0.00 0.00 64.05 62.05 2hb4 n THR 26 Cb 0.39 -0.73 0.53 0.00 -2.10 0.00 0.00 70.33 68.41 2hb4 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hb4 n GLY 27 N 0.56 -0.04 3.57 3.38 0.00 -1.26 -4.86 105.19 106.53 2hb4 n GLY 27 Ca 0.10 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 2hb4 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hb4 s ALA 28 N -2.01 3.24 0.19 4.61 0.00 -0.87 -4.99 121.76 121.92 2hb4 s ALA 28 Ca 0.38 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 2hb4 s ALA 28 Cb 0.21 -1.81 0.10 0.00 0.00 0.00 0.00 23.12 21.62 2hb4 s ALA 28 CO 0.34 0.11 1.57 -0.44 0.00 0.00 0.00 175.76 177.35 2hb4 h ASP 29 N 6.87 0.86 -3.07 0.00 3.32 -1.89 0.28 116.42 122.79 2hb4 h ASP 29 Ca -0.35 -0.34 -0.47 0.00 0.02 0.00 0.00 57.03 55.89 2hb4 h ASP 29 Cb 1.18 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.35 2hb4 h ASP 29 CO 0.66 1.08 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.76 2hb4 s ASP 30 N -6.78 2.65 -0.21 6.45 1.01 -1.26 -2.64 116.67 115.88 2hb4 s ASP 30 Ca -0.10 -1.14 -0.08 0.00 0.71 0.00 0.00 52.55 51.94 2hb4 s ASP 30 Cb 0.12 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.87 2hb4 s ASP 30 CO 0.85 -0.30 0.09 -0.89 0.21 0.00 0.00 175.17 175.13 2hb4 s THR 31 N -3.02 4.85 -0.05 -1.27 2.01 -1.26 -2.88 115.64 114.02 2hb4 s THR 31 Ca 0.27 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.29 2hb4 s THR 31 Cb 0.02 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.32 2hb4 s THR 31 CO 0.10 0.40 -0.10 0.54 -0.69 0.00 0.00 174.62 174.87 2hb4 s VAL 32 N 0.81 0.94 -0.01 3.82 0.11 -0.37 -1.19 120.40 124.49 2hb4 s VAL 32 Ca 0.05 -0.39 0.04 0.00 -2.93 0.00 0.00 61.98 58.74 2hb4 s VAL 32 Cb -0.13 -0.86 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2hb4 s VAL 32 CO 0.02 0.30 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.20 2hb4 s LEU 33 N 0.52 1.99 1.04 2.54 1.43 -0.56 -0.54 118.68 125.10 2hb4 s LEU 33 Ca -0.10 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.57 2hb4 s LEU 33 Cb -0.13 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.41 2hb4 s LEU 33 CO 0.02 0.16 -0.13 -1.84 0.23 0.00 0.00 176.35 174.79 2hb4 n GLU 34 N 2.83 -0.87 -1.64 1.70 0.28 -1.26 -2.06 120.64 119.60 2hb4 n GLU 34 Ca -0.15 -0.23 -0.50 0.00 -0.16 0.00 0.00 57.16 56.12 2hb4 n GLU 34 Cb 0.55 -1.60 -0.05 0.00 1.43 0.00 0.00 31.44 31.76 2hb4 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2hb4 n GLU 35 N -1.02 1.67 -3.68 3.44 4.07 -1.24 -4.42 120.64 119.45 2hb4 n GLU 35 Ca 0.02 0.61 -0.10 0.00 -0.06 0.00 0.00 57.16 57.63 2hb4 n GLU 35 Cb 0.61 -2.33 -0.03 0.00 -0.06 0.00 0.00 31.44 29.63 2hb4 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hb4 s MET 36 N 1.38 1.46 -0.42 5.31 0.23 -1.26 -5.04 119.30 120.96 2hb4 s MET 36 Ca 0.85 -0.79 -0.21 0.00 -1.03 0.00 0.00 55.69 54.51 2hb4 s MET 36 Cb -0.82 0.56 0.02 0.00 -1.53 0.00 0.00 34.83 33.06 2hb4 s MET 36 CO 0.46 -0.64 0.65 -0.80 -2.03 0.00 0.00 175.02 172.65 2hb4 s ASN 37 N -2.85 6.35 0.14 -1.18 0.01 -1.26 -5.04 114.94 111.11 2hb4 s ASN 37 Ca 0.07 -0.20 0.09 0.00 -0.71 0.00 0.00 52.86 52.11 2hb4 s ASN 37 Cb -0.02 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 2hb4 s ASN 37 CO -0.03 -0.74 -0.15 -0.76 -1.51 0.00 0.00 177.10 173.91 2hb4 s LEU 38 N 2.81 2.80 0.00 0.60 1.43 -1.26 -4.95 118.68 120.11 2hb4 s LEU 38 Ca 0.23 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2hb4 s LEU 38 Cb -0.14 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2hb4 s LEU 38 CO 0.18 0.15 0.23 -0.81 0.23 0.00 0.00 176.35 176.33 2hb4 n PRO 39 N 0.55 0.00 0.00 1.29 -0.04 -1.26 -4.96 135.00 130.58 2hb4 n PRO 39 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2hb4 n PRO 39 Cb 0.54 -0.67 0.00 0.00 -0.04 0.00 0.00 33.50 33.32 2hb4 n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hb4 n GLY 40 N 0.51 -2.09 3.85 0.55 0.00 -1.26 -4.92 105.19 101.84 2hb4 n GLY 40 Ca 0.00 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 2hb4 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hb4 s ARG 41 N 0.00 3.94 0.12 1.61 0.52 -1.26 -5.10 118.95 118.78 2hb4 s ARG 41 Ca 0.00 0.47 0.02 0.00 -0.52 0.00 0.00 55.73 55.70 2hb4 s ARG 41 Cb 0.00 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 2hb4 s ARG 41 CO 0.00 0.36 -0.05 1.67 0.02 0.00 0.00 175.30 177.30 2hb4 s TRP 42 N -1.69 1.01 0.12 -0.53 1.48 -1.26 -4.46 118.94 113.60 2hb4 s TRP 42 Ca 0.45 -0.94 0.08 0.00 -1.06 0.00 0.00 56.10 54.63 2hb4 s TRP 42 Cb -0.13 -0.57 -0.04 0.00 -1.16 0.00 0.00 33.47 31.57 2hb4 s TRP 42 CO 0.20 -0.16 -0.20 -1.59 -4.06 0.00 0.00 176.95 171.14 2hb4 s LYS 43 N -3.86 1.15 0.38 3.25 -2.85 -0.58 -4.93 119.74 112.30 2hb4 s LYS 43 Ca 0.16 -1.23 -0.26 0.00 -1.00 0.00 0.00 55.97 53.64 2hb4 s LYS 43 Cb 0.05 -1.33 -0.09 0.00 -2.06 0.00 0.00 37.83 34.40 2hb4 s LYS 43 CO -0.02 0.30 1.18 -1.25 0.10 0.00 0.00 175.35 175.66 2hb4 s PRO 44 N -2.20 4.14 0.02 1.78 0.04 -1.26 0.11 135.00 137.63 2hb4 s PRO 44 Ca 0.09 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.02 2hb4 s PRO 44 Cb -0.08 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 2hb4 s PRO 44 CO 0.05 -0.26 -0.04 0.21 0.04 0.00 0.00 177.00 177.00 2hb4 s LYS 45 N -2.16 0.33 -0.08 4.56 2.20 0.91 -4.84 119.74 120.66 2hb4 s LYS 45 Ca 0.55 -0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 55.53 2hb4 s LYS 45 Cb -0.32 -0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 35.88 2hb4 s LYS 45 CO 0.41 0.00 0.30 -1.64 -0.36 0.00 0.00 175.35 174.06 2hb4 s MET 46 N -1.11 3.91 0.06 4.03 -1.94 -1.26 -0.09 119.30 122.89 2hb4 s MET 46 Ca -0.10 0.18 -0.04 0.00 -1.71 0.00 0.00 55.69 54.02 2hb4 s MET 46 Cb -0.08 -3.28 -0.02 0.00 2.01 0.00 0.00 34.83 33.46 2hb4 s MET 46 CO -0.00 0.56 0.05 0.96 -0.01 0.00 0.00 175.02 176.58 2hb4 s ILE 47 N -0.55 0.18 0.33 2.53 -4.36 -0.63 -4.97 121.20 113.73 2hb4 s ILE 47 Ca 0.19 -1.47 -0.13 0.00 -0.26 0.00 0.00 60.65 58.98 2hb4 s ILE 47 Cb -0.14 -1.30 -0.08 0.00 1.25 0.00 0.00 42.46 42.18 2hb4 s ILE 47 CO 0.08 -0.81 0.73 -0.83 0.24 0.00 0.00 174.94 174.34 2hb4 s GLY 48 N -2.70 2.23 0.13 6.27 0.00 -1.26 -0.57 107.32 111.41 2hb4 s GLY 48 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.69 2hb4 s GLY 48 CO -0.09 0.14 0.19 0.61 0.00 0.00 0.00 173.10 173.95 2hb4 n GLY 49 N -0.59 2.60 0.27 0.20 0.00 0.94 -4.81 105.19 103.80 2hb4 n GLY 49 Ca 0.03 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.76 2hb4 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hb4 h ILE 50 N 1.37 0.69 0.00 -0.61 6.09 -2.02 -2.09 117.51 120.93 2hb4 h ILE 50 Ca -0.10 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 2hb4 h ILE 50 Cb 0.43 1.12 0.00 0.00 0.47 0.00 0.00 36.82 38.85 2hb4 h ILE 50 CO 0.14 0.05 -0.07 1.23 -3.07 0.00 0.00 178.15 176.43 2hb4 h GLY 51 N 0.26 0.00 0.00 8.18 0.00 -2.00 -3.50 103.07 106.01 2hb4 h GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hb4 h GLY 51 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2hb4 n GLY 52 N 1.28 0.55 3.70 4.60 0.00 -0.79 -5.10 105.19 109.44 2hb4 n GLY 52 Ca 0.05 -2.23 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 2hb4 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hb4 s PHE 53 N -0.46 3.49 -0.05 1.61 0.08 -1.26 -0.04 117.98 121.34 2hb4 s PHE 53 Ca 0.00 0.96 -0.05 0.00 0.12 0.00 0.00 56.93 57.96 2hb4 s PHE 53 Cb 0.00 -2.66 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 2hb4 s PHE 53 CO 0.00 0.06 0.18 0.96 -0.10 0.00 0.00 175.22 176.32 2hb4 s ILE 54 N 0.99 5.44 0.03 0.64 -4.36 0.26 -4.89 121.20 119.32 2hb4 s ILE 54 Ca 0.29 0.02 -0.26 0.00 -0.26 0.00 0.00 60.65 60.44 2hb4 s ILE 54 Cb -0.16 -3.50 -0.05 0.00 1.25 0.00 0.00 42.46 40.01 2hb4 s ILE 54 CO 0.12 0.44 0.82 -0.75 0.24 0.00 0.00 174.94 175.80 2hb4 s LYS 55 N -1.59 4.53 0.25 0.37 2.20 -1.26 -1.61 119.74 122.63 2hb4 s LYS 55 Ca 0.23 1.15 0.06 0.00 -0.36 0.00 0.00 55.97 57.04 2hb4 s LYS 55 Cb -0.13 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 2hb4 s LYS 55 CO 0.13 0.19 -0.05 0.14 -0.36 0.00 0.00 175.35 175.40 2hb4 s VAL 56 N 0.22 1.45 -0.23 4.02 -7.23 0.87 -4.55 120.40 114.95 2hb4 s VAL 56 Ca 0.41 -2.10 -0.12 0.00 -1.81 0.00 0.00 61.98 58.36 2hb4 s VAL 56 Cb -0.21 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 2hb4 s VAL 56 CO 0.24 -0.36 0.22 -0.13 -0.31 0.00 0.00 175.10 174.76 2hb4 s ARG 57 N -3.76 4.10 -0.32 4.82 0.52 0.44 -0.06 118.95 124.69 2hb4 s ARG 57 Ca 0.28 -0.15 -0.22 0.00 -0.52 0.00 0.00 55.73 55.12 2hb4 s ARG 57 Cb 0.04 -3.54 -0.00 0.00 0.52 0.00 0.00 34.95 31.97 2hb4 s ARG 57 CO 0.10 0.04 0.69 -1.14 0.02 0.00 0.00 175.30 175.01 2hb4 s GLN 58 N 1.12 3.88 -0.14 3.54 0.74 0.29 -0.44 119.66 128.65 2hb4 s GLN 58 Ca 0.10 0.36 -0.02 0.00 0.05 0.00 0.00 55.36 55.85 2hb4 s GLN 58 Cb -0.14 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.20 2hb4 s GLN 58 CO 0.05 -0.65 -0.07 0.71 -0.55 0.00 0.00 175.29 174.78 2hb4 s TYR 59 N 2.78 2.94 0.26 1.67 1.51 -0.72 -1.53 117.35 124.26 2hb4 s TYR 59 Ca 0.28 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 56.03 2hb4 s TYR 59 Cb -0.14 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 2hb4 s TYR 59 CO 0.13 -0.06 0.14 -0.51 -1.11 0.00 0.00 175.55 174.14 2hb4 s ASP 60 N 0.23 5.23 -1.42 2.29 1.01 -1.26 -1.82 116.67 120.93 2hb4 s ASP 60 Ca -0.05 -0.37 -0.09 0.00 0.71 0.00 0.00 52.55 52.75 2hb4 s ASP 60 Cb -0.14 -1.23 0.04 0.00 1.01 0.00 0.00 42.92 42.60 2hb4 s ASP 60 CO 0.04 -0.04 1.01 0.00 0.21 0.00 0.00 175.17 176.39 2hb4 n GLN 61 N -1.10 -6.29 -3.41 8.23 6.02 -1.19 -4.88 117.38 114.75 2hb4 n GLN 61 Ca -0.07 0.69 -0.38 0.00 -0.01 0.00 0.00 57.00 57.23 2hb4 n GLN 61 Cb 0.58 -5.60 -0.06 0.00 1.02 0.00 0.00 30.24 26.19 2hb4 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2hb4 s ILE 62 N -3.37 4.99 -0.15 5.09 -1.09 -0.02 -4.76 121.20 121.90 2hb4 s ILE 62 Ca 0.49 0.95 -0.25 0.00 -2.23 0.00 0.00 60.65 59.61 2hb4 s ILE 62 Cb -0.23 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 2hb4 s ILE 62 CO 0.79 0.52 0.80 -0.22 -1.23 0.00 0.00 174.94 175.60 2hb4 s LEU 63 N -0.72 4.20 0.02 2.97 2.96 -1.26 -1.04 118.68 125.81 2hb4 s LEU 63 Ca 0.25 1.16 0.04 0.00 -0.22 0.00 0.00 54.13 55.37 2hb4 s LEU 63 Cb -0.17 -3.20 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 2hb4 s LEU 63 CO 0.14 -0.35 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.19 2hb4 s ILE 64 N 1.92 0.94 -0.15 6.68 2.07 -0.71 -4.49 121.20 127.47 2hb4 s ILE 64 Ca 0.38 -0.79 -0.04 0.00 -1.41 0.00 0.00 60.65 58.79 2hb4 s ILE 64 Cb -0.17 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.55 2hb4 s ILE 64 CO 0.13 0.06 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.50 2hb4 s GLU 65 N -0.83 3.59 -0.25 3.50 2.12 -0.49 -0.54 118.70 125.80 2hb4 s GLU 65 Ca 0.01 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.86 2hb4 s GLU 65 Cb -0.07 -2.92 0.07 0.00 0.26 0.00 0.00 34.13 31.47 2hb4 s GLU 65 CO 0.01 0.32 -0.00 0.42 -0.54 0.00 0.00 175.26 175.47 2hb4 s ILE 66 N 0.16 1.30 -1.34 -3.70 1.01 0.19 -0.70 121.20 118.12 2hb4 s ILE 66 Ca -0.00 -1.23 -0.16 0.00 0.00 0.00 0.00 60.65 59.26 2hb4 s ILE 66 Cb -0.13 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.64 2hb4 s ILE 66 CO 0.02 -0.26 0.44 0.00 0.00 0.00 0.00 174.94 175.14 2hb4 n GLY 68 N -2.17 0.49 3.16 0.00 0.00 -1.26 -4.95 105.19 100.45 2hb4 n GLY 68 Ca -0.21 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2hb4 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hb4 s HIS 69 N -1.98 2.50 -0.01 1.61 4.02 -0.85 -5.11 115.29 115.48 2hb4 s HIS 69 Ca 0.00 -1.19 -0.11 0.00 1.02 0.00 0.00 55.06 54.78 2hb4 s HIS 69 Cb 0.00 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.58 29.80 2hb4 s HIS 69 CO 0.00 -0.54 0.33 0.15 1.02 0.00 0.00 174.74 175.69 2hb4 s LYS 70 N 0.74 3.73 0.06 1.40 1.02 -1.26 0.57 119.74 126.00 2hb4 s LYS 70 Ca -0.10 0.17 -0.02 0.00 0.02 0.00 0.00 55.97 56.04 2hb4 s LYS 70 Cb -0.16 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 2hb4 s LYS 70 CO 0.01 0.68 0.01 0.00 -0.92 0.00 0.00 175.35 175.12 2hb4 s ALA 71 N -1.17 0.43 -0.02 5.17 0.00 0.29 -4.78 121.76 121.68 2hb4 s ALA 71 Ca 0.24 -1.14 0.07 0.00 0.00 0.00 0.00 51.96 51.13 2hb4 s ALA 71 Cb -0.15 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2hb4 s ALA 71 CO 0.13 -0.40 -0.23 0.42 0.00 0.00 0.00 175.76 175.68 2hb4 s ILE 72 N -3.92 1.81 -0.10 0.00 -1.09 -1.26 -1.74 121.20 114.90 2hb4 s ILE 72 Ca 0.08 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.53 2hb4 s ILE 72 Cb 0.08 -1.51 0.00 0.00 -1.58 0.00 0.00 42.46 39.45 2hb4 s ILE 72 CO -0.09 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 2hb4 n GLY 73 N 2.62 -1.13 3.73 6.18 0.00 -0.20 -4.90 105.19 111.49 2hb4 n GLY 73 Ca -0.16 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 2hb4 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hb4 s THR 74 N -2.06 3.77 -0.06 2.61 2.01 -1.26 -0.84 115.64 119.81 2hb4 s THR 74 Ca 0.00 1.39 0.04 0.00 0.31 0.00 0.00 61.69 63.43 2hb4 s THR 74 Cb 0.00 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2hb4 s THR 74 CO 0.00 0.18 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.25 2hb4 s VAL 75 N 0.39 1.46 -0.06 3.82 1.01 -0.76 -4.46 120.40 121.81 2hb4 s VAL 75 Ca 0.55 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 2hb4 s VAL 75 Cb -0.31 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2hb4 s VAL 75 CO 0.33 0.42 0.31 -0.76 0.00 0.00 0.00 175.10 175.41 2hb4 s LEU 76 N 0.31 4.42 -0.12 3.92 1.43 -0.34 -1.75 118.68 126.56 2hb4 s LEU 76 Ca -0.11 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2hb4 s LEU 76 Cb -0.14 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.70 2hb4 s LEU 76 CO 0.04 0.32 -0.15 -0.69 0.23 0.00 0.00 176.35 176.10 2hb4 s VAL 77 N -0.86 1.52 -0.79 -1.59 1.01 0.42 -1.50 120.40 118.61 2hb4 s VAL 77 Ca 0.20 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2hb4 s VAL 77 Cb -0.15 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2hb4 s VAL 77 CO 0.09 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2hb4 n GLY 78 N 4.39 -1.26 1.97 4.51 0.00 -0.88 -0.42 105.19 113.50 2hb4 n GLY 78 Ca -0.18 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 2hb4 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hb4 n PRO 79 N -0.00 1.67 -2.25 1.61 -0.04 -1.26 -3.73 135.00 130.99 2hb4 n PRO 79 Ca 0.00 -0.77 -0.41 0.00 -0.04 0.00 0.00 63.50 62.28 2hb4 n PRO 79 Cb 0.00 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 2hb4 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2hb4 s THR 80 N 1.04 3.14 0.45 0.52 -1.32 -1.26 -4.96 115.64 113.25 2hb4 s THR 80 Ca 0.51 1.04 0.14 0.00 -1.21 0.00 0.00 61.69 62.18 2hb4 s THR 80 Cb 0.25 -3.66 0.19 0.00 -1.51 0.00 0.00 72.50 67.77 2hb4 s THR 80 CO 0.00 0.21 2.01 -0.65 -2.21 0.00 0.00 174.62 173.98 2hb4 h PRO 81 N 4.41 0.02 -4.04 7.08 0.11 -1.99 -3.43 132.00 134.16 2hb4 h PRO 81 Ca -0.46 -0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.31 2hb4 h PRO 81 Cb 1.22 -0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.01 2hb4 h PRO 81 CO 0.71 0.17 -0.75 0.08 -0.21 0.00 0.00 178.00 178.00 2hb4 s VAL 82 N -4.72 0.33 -0.26 3.15 1.01 -1.26 -5.09 120.40 113.56 2hb4 s VAL 82 Ca -0.04 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 2hb4 s VAL 82 Cb 0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 36.20 2hb4 s VAL 82 CO 0.70 0.13 1.24 0.20 0.00 0.00 0.00 175.10 177.37 2hb4 s ASN 83 N 0.39 6.82 -0.18 3.32 0.01 -1.26 -4.75 114.94 119.29 2hb4 s ASN 83 Ca -0.04 1.34 0.01 0.00 -0.71 0.00 0.00 52.86 53.46 2hb4 s ASN 83 Cb -0.07 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.07 2hb4 s ASN 83 CO -0.01 -0.93 -0.19 -0.63 -1.51 0.00 0.00 177.10 173.84 2hb4 s ILE 84 N 3.93 2.01 -0.55 0.60 -1.09 0.29 0.17 121.20 126.57 2hb4 s ILE 84 Ca 0.53 -0.97 -0.27 0.00 -2.23 0.00 0.00 60.65 57.71 2hb4 s ILE 84 Cb -0.17 -1.85 0.03 0.00 -1.58 0.00 0.00 42.46 38.88 2hb4 s ILE 84 CO 0.18 0.48 1.11 -0.63 -1.23 0.00 0.00 174.94 174.85 2hb4 s ILE 85 N 1.30 4.16 0.00 2.92 -1.09 0.48 -1.24 121.20 127.73 2hb4 s ILE 85 Ca 0.04 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 2hb4 s ILE 85 Cb -0.14 -4.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 2hb4 s ILE 85 CO -0.12 -1.20 0.00 0.61 -1.23 0.00 0.00 174.94 173.00 2hb4 n GLY 86 N 5.03 0.96 0.25 6.18 0.00 -1.14 -1.66 105.19 114.81 2hb4 n GLY 86 Ca 0.08 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 44.24 2hb4 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hb4 h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.87 -2.13 114.38 116.06 2hb4 h ARG 87 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2hb4 h ARG 87 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2hb4 h ARG 87 CO 0.00 0.14 -0.15 -2.95 -1.07 0.00 0.00 179.97 175.94 2hb4 h ASN 88 N 0.00 0.00 0.08 7.04 7.08 -1.77 -1.87 115.58 126.13 2hb4 h ASN 88 Ca -0.00 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.96 2hb4 h ASN 88 Cb 0.60 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.79 2hb4 h ASN 88 CO 0.02 0.15 -2.18 0.18 -2.08 0.00 0.00 177.43 173.52 2hb4 n LEU 89 N -3.92 0.11 -0.02 6.14 4.77 -1.00 -4.26 117.00 118.82 2hb4 n LEU 89 Ca -0.02 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 2hb4 n LEU 89 Cb 0.24 0.33 0.19 0.00 -2.33 0.00 0.00 43.42 41.85 2hb4 n LEU 89 CO 0.33 0.34 0.77 -0.07 -1.33 0.00 0.00 177.39 177.43 2hb4 h LEU 90 N 0.00 0.56 -1.20 2.23 3.38 -1.03 -2.09 115.31 117.16 2hb4 h LEU 90 Ca -0.37 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.36 2hb4 h LEU 90 Cb 1.88 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 2hb4 h LEU 90 CO 0.03 0.76 -0.09 0.71 0.09 0.00 0.00 178.44 179.94 2hb4 h THR 91 N 0.51 1.21 -0.42 0.22 1.35 -1.56 -0.75 112.91 113.46 2hb4 h THR 91 Ca 0.08 -0.89 -0.09 0.00 -0.55 0.00 0.00 66.41 64.96 2hb4 h THR 91 Cb 0.62 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 2hb4 h THR 91 CO 0.04 0.29 -0.10 1.56 -0.25 0.00 0.00 175.52 177.06 2hb4 h GLN 92 N 0.42 0.75 -0.07 4.72 1.08 -1.57 -2.49 115.11 117.96 2hb4 h GLN 92 Ca 0.08 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2hb4 h GLN 92 Cb 0.41 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2hb4 h GLN 92 CO 0.02 0.83 0.00 0.44 -0.95 0.00 0.00 178.83 179.17 2hb4 n ILE 93 N -4.17 0.08 -2.49 2.54 -5.35 -1.02 -4.91 119.36 104.04 2hb4 n ILE 93 Ca 0.01 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.15 2hb4 n ILE 93 Cb 0.36 0.25 0.01 0.00 -1.74 0.00 0.00 39.64 38.51 2hb4 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hb4 n GLY 94 N 1.10 -0.03 3.70 3.28 0.00 -0.94 -5.01 105.19 107.30 2hb4 n GLY 94 Ca 0.18 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2hb4 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hb4 s THR 96 N 1.48 2.48 0.05 0.00 -4.23 -1.26 -4.70 115.64 109.46 2hb4 s THR 96 Ca 0.52 -2.25 -0.23 0.00 -1.18 0.00 0.00 61.69 58.55 2hb4 s THR 96 Cb -0.21 -2.26 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 2hb4 s THR 96 CO 0.24 -0.30 0.70 -0.76 -0.54 0.00 0.00 174.62 173.97 2hb4 s LEU 97 N -3.21 4.47 -0.04 4.79 1.43 -1.26 -5.08 118.68 119.78 2hb4 s LEU 97 Ca 0.27 1.39 0.01 0.00 -1.03 0.00 0.00 54.13 54.77 2hb4 s LEU 97 Cb -0.06 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 43.05 2hb4 s LEU 97 CO 0.13 0.10 -0.05 0.20 0.23 0.00 0.00 176.35 176.96 2hb4 s ASN 98 N -0.38 0.99 0.00 2.29 0.01 -1.26 -5.28 114.94 111.31 2hb4 s ASN 98 Ca 0.35 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 2hb4 s ASN 98 Cb -0.20 -0.45 0.00 0.00 0.41 0.00 0.00 41.25 41.01 2hb4 s ASN 98 CO 0.22 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 178.00