#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hbp s LYS 4 N 0.00 0.70 -0.03 1.97 2.20 -1.26 -5.05 119.74 118.28 2hbp s LYS 4 Ca 0.00 -0.10 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 2hbp s LYS 4 Cb 0.00 -0.73 -0.06 0.00 -1.51 0.00 0.00 37.83 35.53 2hbp s LYS 4 CO 0.00 -0.05 1.68 -1.12 -0.36 0.00 0.00 175.35 175.50 2hbp s SER 5 N 0.76 6.64 0.31 1.43 0.01 -1.26 -4.66 113.70 116.92 2hbp s SER 5 Ca -0.10 2.31 0.05 0.00 1.31 0.00 0.00 55.95 59.53 2hbp s SER 5 Cb -0.13 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2hbp s SER 5 CO -0.00 -0.93 0.30 -2.11 0.41 0.00 0.00 173.24 170.91 2hbp n ARG 6 N 6.95 0.44 -2.83 12.44 1.85 0.33 -4.64 116.66 131.19 2hbp n ARG 6 Ca 0.17 -2.91 -0.43 0.00 -1.00 0.00 0.00 57.85 53.69 2hbp n ARG 6 Cb 0.42 2.48 -0.04 0.00 -1.05 0.00 0.00 32.46 34.27 2hbp n ARG 6 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2hbp s LEU 7 N 0.00 4.16 0.12 2.89 1.98 -1.25 -0.41 118.68 126.17 2hbp s LEU 7 Ca 0.34 -0.62 -0.13 0.00 -2.89 0.00 0.00 54.13 50.83 2hbp s LEU 7 Cb 0.01 -2.64 -0.06 0.00 0.66 0.00 0.00 46.19 44.15 2hbp s LEU 7 CO 0.24 -1.35 0.50 0.26 -1.89 0.00 0.00 176.35 174.11 2hbp s TRP 8 N 4.09 3.61 0.04 5.38 0.52 0.18 -4.85 118.94 127.91 2hbp s TRP 8 Ca 0.27 0.98 0.05 0.00 0.02 0.00 0.00 56.10 57.42 2hbp s TRP 8 Cb -0.14 -2.30 -0.02 0.00 -1.15 0.00 0.00 33.47 29.86 2hbp s TRP 8 CO 0.15 0.47 -0.14 0.08 0.02 0.00 0.00 176.95 177.53 2hbp s VAL 9 N -1.42 1.13 0.43 4.03 1.01 -1.26 -1.21 120.40 123.11 2hbp s VAL 9 Ca 0.35 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2hbp s VAL 9 Cb -0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2hbp s VAL 9 CO 0.19 0.00 0.70 1.51 0.00 0.00 0.00 175.10 177.50 2hbp s ASP 10 N -1.16 6.28 0.43 3.32 -4.77 -0.96 -0.30 116.67 119.51 2hbp s ASP 10 Ca 0.02 0.77 0.30 0.00 -3.30 0.00 0.00 52.55 50.33 2hbp s ASP 10 Cb -0.08 -2.17 1.31 0.00 -1.09 0.00 0.00 42.92 40.88 2hbp s ASP 10 CO 0.01 -0.47 1.89 0.03 0.70 0.00 0.00 175.17 177.33 2hbp h ARG 11 N 0.45 0.00 0.00 2.11 2.47 -0.60 0.33 114.38 119.13 2hbp h ARG 11 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 2hbp h ARG 11 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2hbp h ARG 11 CO 0.62 0.00 -0.40 0.45 0.56 0.00 0.00 179.97 181.20 2hbp n SER 12 N -2.68 0.52 -1.80 7.04 2.88 -1.26 -4.94 113.62 113.37 2hbp n SER 12 Ca 0.01 0.12 -0.11 0.00 -1.33 0.00 0.00 58.87 57.56 2hbp n SER 12 Cb 0.23 -0.05 0.03 0.00 -0.75 0.00 0.00 64.21 63.67 2hbp n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hbp n GLY 13 N 1.42 0.17 0.14 0.46 0.00 0.10 -4.96 105.19 102.52 2hbp n GLY 13 Ca 0.05 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 2hbp n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hbp n THR 14 N -3.78 1.34 -4.92 2.61 -1.04 -1.26 -4.98 114.28 102.24 2hbp n THR 14 Ca -0.02 -0.48 -0.26 0.00 -2.04 0.00 0.00 64.05 61.25 2hbp n THR 14 Cb 0.54 -1.43 -0.16 0.00 -1.82 0.00 0.00 70.33 67.47 2hbp n THR 14 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2hbp s PHE 15 N -2.46 1.77 -0.03 -1.42 -0.12 -1.26 -5.04 117.98 109.41 2hbp s PHE 15 Ca -0.32 -0.41 0.01 0.00 -0.05 0.00 0.00 56.93 56.16 2hbp s PHE 15 Cb 0.09 -1.16 0.02 0.00 -0.63 0.00 0.00 43.02 41.34 2hbp s PHE 15 CO 0.52 -0.09 -0.04 -1.59 -0.05 0.00 0.00 175.22 173.96 2hbp s LYS 16 N -0.26 0.70 0.04 1.99 -2.85 -1.26 -2.26 119.74 115.85 2hbp s LYS 16 Ca 0.03 -0.12 -0.12 0.00 -1.00 0.00 0.00 55.97 54.76 2hbp s LYS 16 Cb -0.09 -0.72 0.01 0.00 -2.06 0.00 0.00 37.83 34.97 2hbp s LYS 16 CO 0.01 -0.03 0.26 0.14 0.10 0.00 0.00 175.35 175.82 2hbp s VAL 17 N 0.67 0.09 -0.21 1.79 -7.23 -0.35 -4.93 120.40 110.23 2hbp s VAL 17 Ca -0.09 -0.77 -0.17 0.00 -1.81 0.00 0.00 61.98 59.14 2hbp s VAL 17 Cb -0.12 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2hbp s VAL 17 CO -0.00 -0.43 0.47 -1.81 -0.31 0.00 0.00 175.10 173.02 2hbp s ASP 18 N -2.07 6.49 0.01 4.85 1.01 -1.24 0.50 116.67 126.22 2hbp s ASP 18 Ca -0.05 0.58 -0.28 0.00 0.71 0.00 0.00 52.55 53.51 2hbp s ASP 18 Cb -0.01 -2.27 0.09 0.00 1.01 0.00 0.00 42.92 41.75 2hbp s ASP 18 CO -0.04 -0.16 0.80 0.00 0.21 0.00 0.00 175.17 175.99 2hbp s ALA 19 N 1.64 -1.77 0.04 5.23 0.00 0.45 -0.70 121.76 126.64 2hbp s ALA 19 Ca 0.22 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.21 2hbp s ALA 19 Cb -0.15 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2hbp s ALA 19 CO 0.09 -0.61 -0.01 -2.00 0.00 0.00 0.00 175.76 173.23 2hbp s GLU 20 N -2.71 2.65 0.09 0.00 -6.30 -0.44 -0.52 118.70 111.48 2hbp s GLU 20 Ca 0.01 -0.72 -0.30 0.00 -2.50 0.00 0.00 54.97 51.45 2hbp s GLU 20 Cb -0.01 -2.59 -0.06 0.00 0.00 0.00 0.00 34.13 31.48 2hbp s GLU 20 CO -0.06 0.59 1.09 0.12 0.02 0.00 0.00 175.26 177.02 2hbp s PHE 21 N -1.16 3.59 -0.11 5.30 5.36 -1.26 -0.56 117.98 129.13 2hbp s PHE 21 Ca 0.22 1.55 -0.04 0.00 -0.96 0.00 0.00 56.93 57.70 2hbp s PHE 21 Cb -0.12 -3.26 -0.06 0.00 -0.34 0.00 0.00 43.02 39.25 2hbp s PHE 21 CO 0.13 -0.59 -0.13 -0.89 -1.46 0.00 0.00 175.22 172.28 2hbp n ILE 22 N 3.25 0.64 -3.58 3.12 5.41 -0.41 -4.91 119.36 122.87 2hbp n ILE 22 Ca 0.05 -0.19 -0.12 0.00 1.00 0.00 0.00 62.75 63.50 2hbp n ILE 22 Cb 0.48 -1.41 -0.06 0.00 -0.71 0.00 0.00 39.64 37.94 2hbp n ILE 22 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2hbp s GLY 23 N -5.16 -0.32 -0.11 7.39 0.00 -1.20 -5.03 107.32 102.88 2hbp s GLY 23 Ca -0.16 1.97 0.03 0.00 0.00 0.00 0.00 44.72 46.56 2hbp s GLY 23 CO 0.22 1.15 -0.19 0.00 0.00 0.00 0.00 173.10 174.28 2hbp s ALA 25 N 0.75 -1.19 -1.49 0.00 0.00 -0.33 -4.91 121.76 114.58 2hbp s ALA 25 Ca -0.10 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 2hbp s ALA 25 Cb -0.16 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.33 2hbp s ALA 25 CO 0.01 -0.24 0.22 1.63 0.00 0.00 0.00 175.76 177.38 2hbp n LYS 26 N 2.51 -2.90 -1.00 0.00 4.76 -1.26 -0.52 118.16 119.74 2hbp n LYS 26 Ca -0.15 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2hbp n LYS 26 Cb 0.57 -5.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.22 2hbp n LYS 26 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hbp n GLY 27 N -1.12 0.50 3.64 0.72 0.00 -1.26 -5.01 105.19 102.66 2hbp n GLY 27 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2hbp n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hbp s LYS 28 N -0.13 2.60 -0.33 1.61 -0.14 0.32 0.30 119.74 123.97 2hbp s LYS 28 Ca 0.00 -0.73 -0.10 0.00 -1.36 0.00 0.00 55.97 53.78 2hbp s LYS 28 Cb 0.00 -2.55 0.01 0.00 -1.68 0.00 0.00 37.83 33.61 2hbp s LYS 28 CO 0.00 0.59 0.16 0.42 -0.76 0.00 0.00 175.35 175.76 2hbp s ILE 29 N -1.11 4.47 -0.22 2.17 -1.09 0.23 -1.19 121.20 124.46 2hbp s ILE 29 Ca 0.20 -0.65 -0.27 0.00 -2.23 0.00 0.00 60.65 57.70 2hbp s ILE 29 Cb -0.11 -3.37 -0.00 0.00 -1.58 0.00 0.00 42.46 37.39 2hbp s ILE 29 CO 0.11 -0.05 0.93 -1.00 -1.23 0.00 0.00 174.94 173.69 2hbp s HIS 30 N 1.57 3.35 -0.01 3.97 3.76 0.11 -1.01 115.29 127.02 2hbp s HIS 30 Ca 0.03 1.31 0.07 0.00 -0.15 0.00 0.00 55.06 56.33 2hbp s HIS 30 Cb -0.18 -3.14 -0.02 0.00 1.11 0.00 0.00 32.58 30.35 2hbp s HIS 30 CO 0.06 -0.40 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.81 2hbp s LEU 31 N 2.85 2.05 -0.49 0.89 1.43 0.02 -1.29 118.68 124.14 2hbp s LEU 31 Ca 0.40 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 2hbp s LEU 31 Cb -0.15 -1.17 0.09 0.00 0.03 0.00 0.00 46.19 44.98 2hbp s LEU 31 CO 0.08 0.27 0.42 -2.28 0.23 0.00 0.00 176.35 175.08 2hbp s HIS 32 N -0.56 3.25 0.73 0.29 5.65 0.28 -0.50 115.29 124.43 2hbp s HIS 32 Ca 0.09 -1.03 -0.15 0.00 0.25 0.00 0.00 55.06 54.22 2hbp s HIS 32 Cb -0.09 -3.34 0.04 0.00 -1.18 0.00 0.00 32.58 28.02 2hbp s HIS 32 CO -0.01 -0.86 1.23 0.15 -0.65 0.00 0.00 174.74 174.61 2hbp s LYS 33 N 1.63 2.09 0.59 2.88 -0.14 0.11 -1.33 119.74 125.57 2hbp s LYS 33 Ca 0.04 1.84 0.35 0.00 -1.36 0.00 0.00 55.97 56.84 2hbp s LYS 33 Cb -0.26 -1.82 1.80 0.00 -1.68 0.00 0.00 37.83 35.87 2hbp s LYS 33 CO 0.06 -1.89 2.17 0.00 -0.76 0.00 0.00 175.35 174.92 2hbp h ALA 34 N -0.26 1.12 -0.22 5.17 0.00 -1.23 0.64 119.26 124.47 2hbp h ALA 34 Ca -0.48 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2hbp h ALA 34 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2hbp h ALA 34 CO 0.49 0.05 -0.02 -0.97 0.00 0.00 0.00 179.25 178.80 2hbp h ASN 35 N 0.00 0.30 0.00 0.00 -0.00 -1.90 -3.47 115.58 110.52 2hbp h ASN 35 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.25 2hbp h ASN 35 Cb 0.25 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.49 2hbp h ASN 35 CO 0.01 0.37 0.00 0.61 -0.00 0.00 0.00 177.43 178.42 2hbp n GLY 36 N -1.04 0.81 3.88 1.57 0.00 0.22 -5.11 105.19 105.51 2hbp n GLY 36 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2hbp n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hbp s VAL 37 N -2.00 4.99 -0.23 1.61 1.01 -1.26 -4.79 120.40 119.73 2hbp s VAL 37 Ca 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 2hbp s VAL 37 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2hbp s VAL 37 CO 0.00 -0.06 0.12 -0.75 0.00 0.00 0.00 175.10 174.41 2hbp s LYS 38 N -2.83 3.99 0.32 2.72 2.36 -1.26 0.04 119.74 125.08 2hbp s LYS 38 Ca 0.46 -0.32 0.09 0.00 -2.55 0.00 0.00 55.97 53.65 2hbp s LYS 38 Cb -0.11 -3.43 -0.06 0.00 -1.05 0.00 0.00 37.83 33.17 2hbp s LYS 38 CO 0.22 0.08 -0.11 0.96 1.55 0.00 0.00 175.35 178.05 2hbp s ILE 39 N 0.97 2.15 -0.29 5.43 -4.36 0.35 -4.95 121.20 120.50 2hbp s ILE 39 Ca 0.06 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 2hbp s ILE 39 Cb -0.13 -2.53 0.08 0.00 1.25 0.00 0.00 42.46 41.13 2hbp s ILE 39 CO 0.03 -0.27 0.03 0.00 0.24 0.00 0.00 174.94 174.98 2hbp s ALA 40 N -2.68 2.02 -0.17 2.27 0.00 -1.26 -0.80 121.76 121.13 2hbp s ALA 40 Ca 0.31 -1.75 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 2hbp s ALA 40 Cb 0.01 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2hbp s ALA 40 CO 0.15 -1.49 -0.05 0.08 0.00 0.00 0.00 175.76 174.45 2hbp s VAL 41 N 1.36 3.63 0.05 0.00 1.01 -0.18 -4.85 120.40 121.42 2hbp s VAL 41 Ca 0.04 -0.44 -0.33 0.00 0.00 0.00 0.00 61.98 61.25 2hbp s VAL 41 Cb -0.18 -2.60 -0.12 0.00 0.00 0.00 0.00 36.38 33.47 2hbp s VAL 41 CO -0.13 0.47 1.77 0.00 0.00 0.00 0.00 175.10 177.20 2hbp n ALA 42 N 3.91 1.32 0.24 5.51 0.00 -1.26 0.77 120.51 130.99 2hbp n ALA 42 Ca -0.18 0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.68 2hbp n ALA 42 Cb 0.52 -2.47 0.57 0.00 0.00 0.00 0.00 19.45 18.07 2hbp n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hbp h ALA 43 N 7.93 1.85 -0.12 0.00 0.00 -0.44 -2.93 119.26 125.54 2hbp h ALA 43 Ca -0.47 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 2hbp h ALA 43 Cb 1.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2hbp h ALA 43 CO 0.93 0.11 -0.39 0.38 0.00 0.00 0.00 179.25 180.28 2hbp h ASP 44 N 0.01 0.27 -0.55 0.00 3.04 -1.76 -2.51 116.42 114.93 2hbp h ASP 44 Ca 0.00 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.68 2hbp h ASP 44 Cb 0.15 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 2hbp h ASP 44 CO 0.01 0.65 0.00 2.29 -2.04 0.00 0.00 179.24 180.15 2hbp n LYS 45 N -4.04 3.59 -2.99 4.15 -0.00 -1.11 -4.73 118.16 113.02 2hbp n LYS 45 Ca -0.01 -2.80 -0.21 0.00 -0.00 0.00 0.00 58.31 55.29 2hbp n LYS 45 Cb 0.47 -1.83 0.02 0.00 -0.00 0.00 0.00 35.03 33.68 2hbp n LYS 45 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2hbp s LEU 46 N -1.95 3.61 0.14 -5.58 2.96 -0.95 -0.07 118.68 116.84 2hbp s LEU 46 Ca 0.46 0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 54.09 2hbp s LEU 46 Cb 0.31 -2.94 -0.08 0.00 0.50 0.00 0.00 46.19 43.99 2hbp s LEU 46 CO 0.21 -0.78 1.27 -0.55 -1.32 0.00 0.00 176.35 175.18 2hbp s SER 47 N -4.28 6.97 0.35 3.68 0.15 0.59 -3.92 113.70 117.24 2hbp s SER 47 Ca 0.51 2.25 0.11 0.00 0.70 0.00 0.00 55.95 59.52 2hbp s SER 47 Cb -0.10 -2.60 0.89 0.00 -1.71 0.00 0.00 66.02 62.51 2hbp s SER 47 CO 0.36 -0.50 1.79 0.78 1.20 0.00 0.00 173.24 176.87 2hbp h ASN 48 N 6.00 0.63 -0.24 5.45 4.21 -1.91 0.12 115.58 129.85 2hbp h ASN 48 Ca -0.43 0.08 0.04 0.00 1.21 0.00 0.00 56.30 57.20 2hbp h ASN 48 Cb 1.21 -0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 38.34 2hbp h ASN 48 CO 0.80 0.21 -0.03 -0.08 -1.29 0.00 0.00 177.43 177.04 2hbp h GLU 49 N 0.61 0.04 -0.15 0.81 4.22 -1.96 0.89 114.58 119.04 2hbp h GLU 49 Ca 0.56 -0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.91 2hbp h GLU 49 Cb 1.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2hbp h GLU 49 CO -0.32 0.02 -0.30 -0.44 -2.18 0.00 0.00 179.01 175.80 2hbp h ASP 50 N 0.04 0.29 -0.38 1.04 3.32 -1.16 -1.38 116.42 118.18 2hbp h ASP 50 Ca 0.11 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 2hbp h ASP 50 Cb 0.16 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2hbp h ASP 50 CO -0.22 0.58 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.42 2hbp h LEU 51 N 0.25 1.01 -1.63 1.55 -0.00 -0.67 -1.48 115.31 114.35 2hbp h LEU 51 Ca 0.04 -0.47 -0.02 0.00 -0.00 0.00 0.00 57.88 57.43 2hbp h LEU 51 Cb 0.66 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 2hbp h LEU 51 CO 0.05 1.27 0.06 0.00 -0.00 0.00 0.00 178.44 179.83 2hbp h ALA 52 N 0.76 1.71 0.04 1.53 0.00 -0.28 0.13 119.26 123.15 2hbp h ALA 52 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hbp h ALA 52 Cb 1.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2hbp h ALA 52 CO 0.10 0.23 -0.02 -0.92 0.00 0.00 0.00 179.25 178.64 2hbp h TYR 53 N 0.31 -0.05 -0.12 0.00 3.20 -0.94 -3.02 116.97 116.34 2hbp h TYR 53 Ca 0.08 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 2hbp h TYR 53 Cb 0.10 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2hbp h TYR 53 CO 0.00 0.34 -0.37 -0.24 -1.64 0.00 0.00 178.16 176.25 2hbp h VAL 54 N -0.45 1.29 -0.89 1.81 3.04 -0.69 0.62 116.25 120.97 2hbp h VAL 54 Ca -0.01 -1.42 0.19 0.00 -1.01 0.00 0.00 66.70 64.45 2hbp h VAL 54 Cb 0.41 1.61 -0.07 0.00 -2.01 0.00 0.00 31.29 31.24 2hbp h VAL 54 CO 0.01 0.43 0.58 -0.33 -1.01 0.00 0.00 177.57 177.25 2hbp h GLU 55 N 0.21 0.47 0.01 4.17 5.08 -0.80 -0.33 114.58 123.39 2hbp h GLU 55 Ca 0.02 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2hbp h GLU 55 Cb 0.76 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2hbp h GLU 55 CO 0.06 0.31 -1.13 0.87 -1.00 0.00 0.00 179.01 178.13 2hbp h LYS 56 N 0.49 0.02 -0.65 2.33 1.79 -0.80 0.25 116.57 120.00 2hbp h LYS 56 Ca 0.46 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.84 2hbp h LYS 56 Cb 1.03 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 2hbp h LYS 56 CO -0.19 0.94 0.16 0.82 -1.08 0.00 0.00 179.45 180.10 2hbp h ILE 57 N 0.01 1.25 0.00 1.86 1.08 0.09 -3.40 117.51 118.40 2hbp h ILE 57 Ca -0.06 -0.92 -0.08 0.00 -0.39 0.00 0.00 64.86 63.42 2hbp h ILE 57 Cb 1.82 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 36.14 2hbp h ILE 57 CO 0.13 0.35 -1.26 0.35 -0.69 0.00 0.00 178.15 177.02 2hbp n THR 58 N -4.25 0.26 0.00 -0.27 -2.24 -0.27 -5.03 114.28 102.48 2hbp n THR 58 Ca 0.05 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2hbp n THR 58 Cb 0.25 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 2hbp n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hbp n GLY 59 N 2.88 0.93 3.83 3.38 0.00 0.86 -5.08 105.19 112.00 2hbp n GLY 59 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2hbp n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hbp s PHE 60 N -2.00 3.34 -0.54 1.61 0.08 -1.25 -5.02 117.98 114.20 2hbp s PHE 60 Ca 0.00 1.50 -0.17 0.00 0.12 0.00 0.00 56.93 58.38 2hbp s PHE 60 Cb 0.00 -2.85 0.10 0.00 -0.57 0.00 0.00 43.02 39.71 2hbp s PHE 60 CO 0.00 -0.47 0.57 0.45 -0.10 0.00 0.00 175.22 175.67 2hbp s SER 61 N -2.86 6.18 -0.21 1.36 0.15 -1.26 -4.31 113.70 112.76 2hbp s SER 61 Ca 0.60 -1.49 0.13 0.00 0.70 0.00 0.00 55.95 55.90 2hbp s SER 61 Cb -0.11 -2.25 0.76 0.00 -1.71 0.00 0.00 66.02 62.71 2hbp s SER 61 CO 0.29 -0.92 1.66 0.18 1.20 0.00 0.00 173.24 175.65 2hbp n LEU 62 N 5.73 5.36 -0.26 3.45 4.77 -1.26 -4.28 117.00 130.50 2hbp n LEU 62 Ca -0.11 -2.72 -0.06 0.00 -0.03 0.00 0.00 56.01 53.09 2hbp n LEU 62 Cb 0.42 -0.67 0.07 0.00 -2.33 0.00 0.00 43.42 40.91 2hbp n LEU 62 CO 0.54 0.61 1.00 -0.08 -1.33 0.00 0.00 177.39 178.14 2hbp h GLU 63 N 3.73 1.15 0.00 3.23 4.57 -1.91 0.08 114.58 125.42 2hbp h GLU 63 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 2hbp h GLU 63 Cb 1.85 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 2hbp h GLU 63 CO 0.45 0.97 0.00 0.36 -1.18 0.00 0.00 179.01 179.60 2hbp n LYS 64 N -4.26 0.02 0.00 1.92 2.85 -1.26 -1.24 118.16 116.19 2hbp n LYS 64 Ca 0.06 0.26 0.10 0.00 -1.05 0.00 0.00 58.31 57.69 2hbp n LYS 64 Cb 0.22 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.10 2hbp n LYS 64 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2hbp n PHE 65 N -1.48 0.00 -2.89 5.58 3.72 -0.05 -4.93 117.46 117.41 2hbp n PHE 65 Ca 0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 2hbp n PHE 65 Cb 0.15 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 2hbp n PHE 65 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2hbp s LYS 66 N -2.35 4.66 -0.97 -1.08 1.02 -0.37 -4.37 119.74 116.28 2hbp s LYS 66 Ca 0.17 1.28 -0.22 0.00 0.02 0.00 0.00 55.97 57.22 2hbp s LYS 66 Cb 0.17 -3.29 0.07 0.00 -0.52 0.00 0.00 37.83 34.26 2hbp s LYS 66 CO 0.54 0.49 1.34 0.00 -0.92 0.00 0.00 175.35 176.80 2hbp s ALA 67 N -0.94 2.90 -2.82 5.17 0.00 -1.26 -5.02 121.76 119.79 2hbp s ALA 67 Ca 0.39 -2.33 0.23 0.00 0.00 0.00 0.00 51.96 50.24 2hbp s ALA 67 Cb -0.24 -4.37 0.18 0.00 0.00 0.00 0.00 23.12 18.69 2hbp s ALA 67 CO 0.28 -3.41 1.21 0.09 0.00 0.00 0.00 175.76 173.94