#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 2.81 0.40 1.97 -2.85 -1.26 -5.05 119.74 115.76 2hbp s LYS 4 Ca 0.00 -0.78 -0.25 0.00 -1.00 0.00 0.00 55.97 53.94 2hbp s LYS 4 Cb 0.00 -2.59 -0.11 0.00 -2.06 0.00 0.00 37.83 33.08 2hbp s LYS 4 CO 0.00 -0.43 1.09 0.45 0.10 0.00 0.00 175.35 176.56 2hbp n SER 5 N -2.11 1.65 -3.01 0.03 2.88 -1.26 -4.81 113.62 106.99 2hbp n SER 5 Ca 0.05 1.08 -0.17 0.00 -1.33 0.00 0.00 58.87 58.50 2hbp n SER 5 Cb 0.59 -1.39 -0.07 0.00 -0.75 0.00 0.00 64.21 62.59 2hbp n SER 5 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2hbp n ARG 6 N 0.22 0.39 -3.47 -1.46 1.85 0.73 -4.78 116.66 110.14 2hbp n ARG 6 Ca 0.08 -2.99 -0.43 0.00 -1.00 0.00 0.00 57.85 53.52 2hbp n ARG 6 Cb 0.38 2.48 -0.09 0.00 -1.05 0.00 0.00 32.46 34.19 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 5.42 0.12 2.89 1.98 -1.25 0.35 118.68 128.19 2hbp s LEU 7 Ca 0.35 -1.36 -0.12 0.00 -2.89 0.00 0.00 54.13 50.11 2hbp s LEU 7 Cb 0.02 -2.11 -0.06 0.00 0.66 0.00 0.00 46.19 44.69 2hbp s LEU 7 CO 0.25 -0.60 0.49 0.26 -1.89 0.00 0.00 176.35 174.86 2hbp s TRP 8 N 1.57 3.59 0.02 5.38 0.52 0.12 -4.84 118.94 125.30 2hbp s TRP 8 Ca 0.04 0.94 0.02 0.00 0.02 0.00 0.00 56.10 57.12 2hbp s TRP 8 Cb -0.24 -2.28 -0.02 0.00 -1.15 0.00 0.00 33.47 29.79 2hbp s TRP 8 CO 0.05 0.47 -0.07 0.08 0.02 0.00 0.00 176.95 177.50 2hbp s VAL 9 N -1.44 0.53 0.68 4.03 1.01 -1.26 -1.13 120.40 122.83 2hbp s VAL 9 Ca 0.36 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 2hbp s VAL 9 Cb -0.14 -0.54 0.09 0.00 0.00 0.00 0.00 36.38 35.79 2hbp s VAL 9 CO 0.19 -0.17 0.95 1.51 0.00 0.00 0.00 175.10 177.58 2hbp s ASP 10 N -1.01 4.63 0.18 3.32 -4.77 -0.93 -1.31 116.67 116.77 2hbp s ASP 10 Ca -0.05 -0.08 -0.12 0.00 -3.30 0.00 0.00 52.55 49.00 2hbp s ASP 10 Cb -0.07 -0.48 0.08 0.00 -1.09 0.00 0.00 42.92 41.37 2hbp s ASP 10 CO 0.00 -1.66 1.79 -0.09 0.70 0.00 0.00 175.17 175.91 2hbp h ARG 11 N -0.43 0.84 0.00 2.11 9.65 -0.39 -2.90 114.38 123.26 2hbp h ARG 11 Ca -0.40 -0.10 -0.08 0.00 -1.10 0.00 0.00 59.98 58.30 2hbp h ARG 11 Cb 1.28 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 2hbp h ARG 11 CO 0.47 0.64 -0.38 0.77 2.80 0.00 0.00 179.97 184.28 2hbp h SER 12 N 0.81 0.00 0.00 -3.80 0.02 -1.92 -3.46 113.55 105.20 2hbp h SER 12 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2hbp h SER 12 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2hbp h SER 12 CO -0.03 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 176.64 2hbp n GLY 13 N -0.42 0.89 0.14 -3.77 0.00 -1.09 -4.96 105.19 95.97 2hbp n GLY 13 Ca -0.02 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.20 1.74 -2.84 2.61 -1.04 -1.26 -4.87 114.28 106.42 2hbp n THR 14 Ca 0.00 -0.66 -0.41 0.00 -2.04 0.00 0.00 64.05 60.94 2hbp n THR 14 Cb 0.00 -1.65 -0.04 0.00 -1.82 0.00 0.00 70.33 66.82 2hbp n THR 14 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2hbp s PHE 15 N -2.56 3.65 -0.25 -1.42 0.40 -1.26 -4.97 117.98 111.57 2hbp s PHE 15 Ca -0.23 1.55 -0.13 0.00 -0.60 0.00 0.00 56.93 57.52 2hbp s PHE 15 Cb 0.07 -2.99 0.08 0.00 0.51 0.00 0.00 43.02 40.69 2hbp s PHE 15 CO 0.75 0.06 0.60 -1.59 0.70 0.00 0.00 175.22 175.74 2hbp s LYS 16 N 0.78 0.60 -0.10 0.44 -2.85 -1.24 -2.19 119.74 115.18 2hbp s LYS 16 Ca 0.46 1.13 -0.21 0.00 -1.00 0.00 0.00 55.97 56.34 2hbp s LYS 16 Cb -0.20 0.17 0.05 0.00 -2.06 0.00 0.00 37.83 35.79 2hbp s LYS 16 CO 0.25 -0.16 0.52 0.14 0.10 0.00 0.00 175.35 176.19 2hbp s VAL 17 N 1.73 0.02 -0.30 1.79 -7.23 -0.28 -4.94 120.40 111.19 2hbp s VAL 17 Ca -0.09 -0.13 -0.22 0.00 -1.81 0.00 0.00 61.98 59.72 2hbp s VAL 17 Cb -0.07 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 36.08 2hbp s VAL 17 CO -0.18 -0.07 0.72 1.51 -0.31 0.00 0.00 175.10 176.77 2hbp s ASP 18 N -0.61 6.60 0.10 4.85 -4.77 -1.24 0.11 116.67 121.71 2hbp s ASP 18 Ca -0.07 0.58 -0.26 0.00 -3.30 0.00 0.00 52.55 49.50 2hbp s ASP 18 Cb -0.03 -2.37 0.08 0.00 -1.09 0.00 0.00 42.92 39.50 2hbp s ASP 18 CO 0.04 -0.54 0.83 0.00 0.70 0.00 0.00 175.17 176.20 2hbp s ALA 19 N 2.78 -1.67 -0.01 2.11 0.00 0.16 -2.50 121.76 122.62 2hbp s ALA 19 Ca 0.29 0.54 0.08 0.00 0.00 0.00 0.00 51.96 52.86 2hbp s ALA 19 Cb -0.15 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2hbp s ALA 19 CO 0.12 -0.84 -0.24 -2.00 0.00 0.00 0.00 175.76 172.80 2hbp s GLU 20 N -3.37 1.94 0.17 0.00 -6.30 -0.18 -0.19 118.70 110.75 2hbp s GLU 20 Ca 0.07 -0.88 -0.31 0.00 -2.50 0.00 0.00 54.97 51.35 2hbp s GLU 20 Cb -0.02 -1.89 -0.08 0.00 0.00 0.00 0.00 34.13 32.14 2hbp s GLU 20 CO -0.05 0.52 1.34 0.12 0.02 0.00 0.00 175.26 177.21 2hbp s PHE 21 N -0.58 3.24 -0.07 5.30 5.36 -1.26 -0.00 117.98 129.96 2hbp s PHE 21 Ca 0.09 1.11 -0.05 0.00 -0.96 0.00 0.00 56.93 57.12 2hbp s PHE 21 Cb -0.09 -3.64 -0.04 0.00 -0.34 0.00 0.00 43.02 38.91 2hbp s PHE 21 CO -0.01 -2.10 -0.12 -0.89 -1.46 0.00 0.00 175.22 170.64 2hbp n ILE 22 N 3.16 0.73 -3.60 3.12 5.41 -0.59 -4.90 119.36 122.69 2hbp n ILE 22 Ca 0.08 -0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.68 2hbp n ILE 22 Cb 0.43 -1.69 -0.07 0.00 -0.71 0.00 0.00 39.64 37.60 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 -4.96 -0.38 -0.06 7.39 0.00 -1.21 -5.03 107.32 103.07 2hbp s GLY 23 Ca -0.13 2.10 -0.02 0.00 0.00 0.00 0.00 44.72 46.68 2hbp s GLY 23 CO 0.17 1.52 0.04 0.00 0.00 0.00 0.00 173.10 174.82 2hbp s ALA 25 N -1.01 0.48 -1.25 0.00 0.00 0.14 -4.91 121.76 115.21 2hbp s ALA 25 Ca 0.17 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 2hbp s ALA 25 Cb -0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 2hbp s ALA 25 CO 0.07 -1.00 0.70 1.17 0.00 0.00 0.00 175.76 176.70 2hbp n LYS 26 N 5.24 -3.46 -0.58 0.00 3.00 -1.26 -1.03 118.16 120.07 2hbp n LYS 26 Ca -0.07 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 2hbp n LYS 26 Cb 0.49 -4.88 0.00 0.00 0.00 0.00 0.00 35.03 30.64 2hbp n LYS 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hbp n GLY 27 N -1.63 1.63 3.80 3.14 0.00 -1.26 -5.00 105.19 105.88 2hbp n GLY 27 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.08 2.35 -0.07 1.61 1.02 -0.20 -1.05 119.74 123.31 2hbp s LYS 28 Ca 0.00 -1.74 0.02 0.00 0.02 0.00 0.00 55.97 54.27 2hbp s LYS 28 Cb 0.00 -2.14 0.02 0.00 -0.52 0.00 0.00 37.83 35.19 2hbp s LYS 28 CO 0.00 -0.17 -0.11 0.42 -0.92 0.00 0.00 175.35 174.56 2hbp s ILE 29 N -2.56 1.10 -0.14 2.17 1.01 0.20 0.28 121.20 123.26 2hbp s ILE 29 Ca 0.43 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 2hbp s ILE 29 Cb 0.01 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 2hbp s ILE 29 CO 0.24 0.35 0.51 -1.00 0.00 0.00 0.00 174.94 175.05 2hbp s HIS 30 N 0.87 3.47 -0.03 3.97 3.76 0.98 -1.11 115.29 127.20 2hbp s HIS 30 Ca -0.11 0.88 0.04 0.00 -0.15 0.00 0.00 55.06 55.73 2hbp s HIS 30 Cb -0.15 -2.62 -0.01 0.00 1.11 0.00 0.00 32.58 30.92 2hbp s HIS 30 CO 0.01 0.07 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.30 2hbp s LEU 31 N 1.00 1.95 -0.55 0.89 1.43 -0.51 -1.55 118.68 121.34 2hbp s LEU 31 Ca 0.26 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 52.88 2hbp s LEU 31 Cb -0.15 -0.87 0.11 0.00 0.03 0.00 0.00 46.19 45.31 2hbp s LEU 31 CO 0.11 0.16 0.55 -2.28 0.23 0.00 0.00 176.35 175.12 2hbp s HIS 32 N -0.13 3.16 0.91 0.29 5.65 1.00 -0.86 115.29 125.31 2hbp s HIS 32 Ca 0.01 -1.11 -0.10 0.00 0.25 0.00 0.00 55.06 54.10 2hbp s HIS 32 Cb -0.09 -3.78 0.14 0.00 -1.18 0.00 0.00 32.58 27.68 2hbp s HIS 32 CO 0.01 -1.08 1.13 0.15 -0.65 0.00 0.00 174.74 174.30 2hbp s LYS 33 N 1.98 1.07 0.28 2.88 -0.14 0.10 -1.01 119.74 124.90 2hbp s LYS 33 Ca 0.06 1.46 0.24 0.00 -1.36 0.00 0.00 55.97 56.37 2hbp s LYS 33 Cb -0.27 -1.74 1.02 0.00 -1.68 0.00 0.00 37.83 35.16 2hbp s LYS 33 CO 0.05 -2.56 1.72 0.00 -0.76 0.00 0.00 175.35 173.80 2hbp n ALA 34 N -4.18 1.62 1.25 5.17 0.00 -1.04 -1.04 120.51 122.28 2hbp n ALA 34 Ca 0.11 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.79 2hbp n ALA 34 Cb 0.52 -1.39 0.55 0.00 0.00 0.00 0.00 19.45 19.13 2hbp n ALA 34 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2hbp n ASN 35 N -2.29 0.36 0.00 0.00 5.15 -1.26 -4.92 115.26 112.31 2hbp n ASN 35 Ca 0.02 -0.28 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 2hbp n ASN 35 Cb 0.22 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 2hbp n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hbp n GLY 36 N 1.37 0.82 3.80 8.20 0.00 -0.21 -5.07 105.19 114.10 2hbp n GLY 36 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 2hbp n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hbp s VAL 37 N -2.11 4.51 -0.00 1.61 0.11 -1.26 -4.85 120.40 118.41 2hbp s VAL 37 Ca 0.00 -1.08 -0.06 0.00 -2.93 0.00 0.00 61.98 57.91 2hbp s VAL 37 Cb 0.00 -3.31 -0.05 0.00 -1.53 0.00 0.00 36.38 31.50 2hbp s VAL 37 CO 0.00 -0.11 0.25 -0.54 -3.33 0.00 0.00 175.10 171.37 2hbp s LYS 38 N -3.12 3.56 0.15 1.54 3.01 -1.26 0.01 119.74 123.63 2hbp s LYS 38 Ca 0.31 -0.09 0.07 0.00 -1.01 0.00 0.00 55.97 55.25 2hbp s LYS 38 Cb -0.10 -3.09 -0.04 0.00 -1.01 0.00 0.00 37.83 33.59 2hbp s LYS 38 CO 0.24 0.66 -0.15 0.96 0.51 0.00 0.00 175.35 177.57 2hbp s ILE 39 N -1.27 1.56 -0.37 2.17 -4.36 -0.04 -4.94 121.20 113.94 2hbp s ILE 39 Ca 0.26 -1.91 -0.03 0.00 -0.26 0.00 0.00 60.65 58.72 2hbp s ILE 39 Cb -0.13 -1.76 0.09 0.00 1.25 0.00 0.00 42.46 41.91 2hbp s ILE 39 CO 0.15 -0.44 0.14 0.00 0.24 0.00 0.00 174.94 175.03 2hbp s ALA 40 N -2.36 3.05 -0.19 2.27 0.00 -1.26 -1.43 121.76 121.84 2hbp s ALA 40 Ca 0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 51.96 49.81 2hbp s ALA 40 Cb -0.04 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2hbp s ALA 40 CO 0.05 -1.61 -0.02 0.08 0.00 0.00 0.00 175.76 174.26 2hbp s VAL 41 N 1.20 3.81 0.02 0.00 1.01 -0.27 -4.91 120.40 121.26 2hbp s VAL 41 Ca 0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2hbp s VAL 41 Cb -0.22 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2hbp s VAL 41 CO -0.03 0.44 1.00 0.00 0.00 0.00 0.00 175.10 176.51 2hbp s ALA 42 N 0.93 3.19 -1.42 5.51 0.00 -1.26 0.62 121.76 129.33 2hbp s ALA 42 Ca 0.01 0.57 0.10 0.00 0.00 0.00 0.00 51.96 52.63 2hbp s ALA 42 Cb -0.14 -3.34 0.49 0.00 0.00 0.00 0.00 23.12 20.12 2hbp s ALA 42 CO 0.01 -0.22 1.20 0.00 0.00 0.00 0.00 175.76 176.75 2hbp n ALA 43 N 3.75 1.62 -0.00 0.00 0.00 -0.22 -3.26 120.51 122.40 2hbp n ALA 43 Ca 0.06 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 2hbp n ALA 43 Cb 0.50 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 2hbp n ALA 43 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2hbp h ASP 44 N 0.00 0.68 -0.68 0.00 2.03 -1.80 -3.19 116.42 113.46 2hbp h ASP 44 Ca 0.00 -0.71 0.00 0.00 -0.73 0.00 0.00 57.03 55.59 2hbp h ASP 44 Cb 0.09 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.39 2hbp h ASP 44 CO 0.00 1.29 0.00 2.29 -1.03 0.00 0.00 179.24 181.79 2hbp n LYS 45 N -4.12 3.11 -2.13 4.15 -0.00 -1.20 -4.63 118.16 113.34 2hbp n LYS 45 Ca -0.09 -2.67 -0.27 0.00 -0.00 0.00 0.00 58.31 55.27 2hbp n LYS 45 Cb 0.70 -1.70 0.07 0.00 -0.00 0.00 0.00 35.03 34.10 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 -1.35 2.77 0.24 -5.58 2.96 -1.21 0.08 118.68 116.60 2hbp s LEU 46 Ca 0.49 0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 54.69 2hbp s LEU 46 Cb 0.28 -3.22 -0.09 0.00 0.50 0.00 0.00 46.19 43.66 2hbp s LEU 46 CO 0.29 -1.62 1.15 -0.55 -1.32 0.00 0.00 176.35 174.30 2hbp s SER 47 N -4.51 7.16 0.21 3.68 0.15 -0.43 -3.47 113.70 116.50 2hbp s SER 47 Ca 0.60 2.29 -0.13 0.00 0.70 0.00 0.00 55.95 59.40 2hbp s SER 47 Cb -0.11 -2.62 0.24 0.00 -1.71 0.00 0.00 66.02 61.83 2hbp s SER 47 CO 0.46 -0.27 1.62 -1.13 1.20 0.00 0.00 173.24 175.13 2hbp h ASN 48 N 4.36 -0.61 0.43 5.45 -0.73 -1.90 0.65 115.58 123.22 2hbp h ASN 48 Ca -0.46 0.19 -0.10 0.00 1.87 0.00 0.00 56.30 57.81 2hbp h ASN 48 Cb 1.21 0.40 -0.01 0.00 0.27 0.00 0.00 38.32 40.19 2hbp h ASN 48 CO 0.70 -0.21 -0.45 1.05 -0.37 0.00 0.00 177.43 178.14 2hbp h GLU 49 N -0.00 0.04 -0.52 6.67 4.11 -1.91 -1.08 114.58 121.88 2hbp h GLU 49 Ca 0.31 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.64 2hbp h GLU 49 Cb 0.47 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2hbp h GLU 49 CO -0.67 0.48 -0.01 -0.44 0.07 0.00 0.00 179.01 178.45 2hbp h ASP 50 N 0.03 0.86 -0.21 3.06 5.19 -1.25 -0.10 116.42 124.00 2hbp h ASP 50 Ca -0.00 -0.23 -0.10 0.00 -0.62 0.00 0.00 57.03 56.08 2hbp h ASP 50 Cb 0.82 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 2hbp h ASP 50 CO 0.06 0.93 -0.25 -0.07 -3.12 0.00 0.00 179.24 176.79 2hbp h LEU 51 N 0.82 0.58 -1.96 1.55 -0.00 -0.53 -1.61 115.31 114.17 2hbp h LEU 51 Ca 0.15 -0.49 0.06 0.00 -0.00 0.00 0.00 57.88 57.60 2hbp h LEU 51 Cb 0.50 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2hbp h LEU 51 CO 0.02 0.96 0.18 0.00 -0.00 0.00 0.00 178.44 179.60 2hbp h ALA 52 N 0.64 2.17 -0.00 1.53 0.00 -0.91 0.40 119.26 123.09 2hbp h ALA 52 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2hbp h ALA 52 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2hbp h ALA 52 CO 0.06 -0.23 -0.03 -0.92 0.00 0.00 0.00 179.25 178.13 2hbp h TYR 53 N 0.05 0.04 0.00 0.00 3.20 -0.81 -3.07 116.97 116.38 2hbp h TYR 53 Ca 0.12 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 2hbp h TYR 53 Cb 0.40 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2hbp h TYR 53 CO -0.00 0.71 -0.41 -0.24 -1.64 0.00 0.00 178.16 176.58 2hbp h VAL 54 N -0.65 1.12 -0.48 1.81 3.04 -0.34 0.12 116.25 120.87 2hbp h VAL 54 Ca -0.00 -1.51 0.11 0.00 -1.01 0.00 0.00 66.70 64.29 2hbp h VAL 54 Cb 0.72 1.85 -0.02 0.00 -2.01 0.00 0.00 31.29 31.82 2hbp h VAL 54 CO 0.01 0.41 0.34 -0.33 -1.01 0.00 0.00 177.57 176.98 2hbp h GLU 55 N 0.00 0.16 0.06 4.17 5.08 -0.30 -0.36 114.58 123.38 2hbp h GLU 55 Ca -0.00 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 2hbp h GLU 55 Cb 0.82 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2hbp h GLU 55 CO 0.05 0.10 -1.16 0.87 -1.00 0.00 0.00 179.01 177.87 2hbp h LYS 56 N 0.16 0.12 -0.69 2.33 1.79 -0.70 0.42 116.57 120.00 2hbp h LYS 56 Ca 0.23 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 2hbp h LYS 56 Cb 0.68 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.38 2hbp h LYS 56 CO -0.03 1.06 0.27 0.82 -1.08 0.00 0.00 179.45 180.49 2hbp h ILE 57 N 0.03 1.25 0.00 1.86 2.04 -0.45 -3.39 117.51 118.85 2hbp h ILE 57 Ca -0.09 -0.78 -0.28 0.00 1.00 0.00 0.00 64.86 64.72 2hbp h ILE 57 Cb 1.88 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 2hbp h ILE 57 CO 0.16 0.31 -1.97 0.35 0.00 0.00 0.00 178.15 177.00 2hbp n THR 58 N -4.37 0.95 0.00 -0.27 -2.24 -0.23 -5.02 114.28 103.10 2hbp n THR 58 Ca 0.05 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2hbp n THR 58 Cb 0.18 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 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 2.16 0.61 3.77 3.38 0.00 0.15 -5.07 105.19 110.17 2hbp n GLY 59 Ca -0.33 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 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 3.79 -0.66 1.61 0.08 -1.25 -4.99 117.98 114.55 2hbp s PHE 60 Ca 0.00 1.45 -0.27 0.00 0.12 0.00 0.00 56.93 58.23 2hbp s PHE 60 Cb 0.00 -2.73 0.01 0.00 -0.57 0.00 0.00 43.02 39.73 2hbp s PHE 60 CO 0.00 0.40 1.51 -1.12 -0.10 0.00 0.00 175.22 175.91 2hbp s SER 61 N -0.54 5.84 -0.16 1.36 0.01 -1.26 -4.33 113.70 114.63 2hbp s SER 61 Ca 0.35 -0.04 0.11 0.00 1.31 0.00 0.00 55.95 57.69 2hbp s SER 61 Cb -0.21 -2.55 0.61 0.00 0.21 0.00 0.00 66.02 64.08 2hbp s SER 61 CO 0.23 -2.01 1.44 0.18 0.41 0.00 0.00 173.24 173.49 2hbp n LEU 62 N 10.61 4.39 0.13 2.44 4.77 -1.26 -4.17 117.00 133.90 2hbp n LEU 62 Ca 0.11 -2.22 -0.01 0.00 -0.03 0.00 0.00 56.01 53.85 2hbp n LEU 62 Cb 0.50 -0.61 0.14 0.00 -2.33 0.00 0.00 43.42 41.12 2hbp n LEU 62 CO 0.71 0.56 0.46 -0.08 -1.33 0.00 0.00 177.39 177.71 2hbp h GLU 63 N 3.05 0.00 0.00 3.23 4.81 -1.91 0.60 114.58 124.35 2hbp h GLU 63 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2hbp h GLU 63 Cb 1.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2hbp h GLU 63 CO 0.33 0.65 0.00 0.36 -0.73 0.00 0.00 179.01 179.62 2hbp n LYS 64 N -3.68 0.17 0.00 1.92 2.85 -1.26 -1.24 118.16 116.92 2hbp n LYS 64 Ca -0.01 0.55 0.08 0.00 -1.05 0.00 0.00 58.31 57.88 2hbp n LYS 64 Cb 0.66 -1.94 -0.04 0.00 -0.65 0.00 0.00 35.03 33.06 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 -2.27 0.00 -1.72 5.58 3.72 0.06 -4.98 117.46 117.85 2hbp n PHE 65 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2hbp n PHE 65 Cb 0.12 0.00 -0.03 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 -2.16 4.13 -0.20 -1.08 1.02 -0.37 -4.54 119.74 116.55 2hbp s LYS 66 Ca 0.10 2.60 -0.05 0.00 0.02 0.00 0.00 55.97 58.65 2hbp s LYS 66 Cb 0.12 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 2hbp s LYS 66 CO 0.51 -0.81 -0.01 0.00 -0.92 0.00 0.00 175.35 174.11 2hbp s ALA 67 N 2.21 2.98 -2.82 5.17 0.00 -1.26 -5.02 121.76 123.02 2hbp s ALA 67 Ca 0.79 -0.99 0.25 0.00 0.00 0.00 0.00 51.96 52.01 2hbp s ALA 67 Cb -0.47 -1.72 0.50 0.00 0.00 0.00 0.00 23.12 21.43 2hbp s ALA 67 CO 0.35 -0.13 1.44 0.09 0.00 0.00 0.00 175.76 177.50