#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab7 s LYS 2 N 0.00 0.15 0.04 1.64 -2.85 -1.26 -1.45 119.74 116.00 1ab7 s LYS 2 Ca 0.00 0.68 0.01 0.00 -1.00 0.00 0.00 55.97 55.66 1ab7 s LYS 2 Cb 0.00 -0.08 -0.04 0.00 -2.06 0.00 0.00 37.83 35.65 1ab7 s LYS 2 CO 0.00 -0.26 0.08 0.00 0.10 0.00 0.00 175.35 175.27 1ab7 s ALA 3 N 2.12 3.58 -0.04 0.59 0.00 0.47 -4.86 121.76 123.61 1ab7 s ALA 3 Ca -0.01 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1ab7 s ALA 3 Cb -0.12 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.51 1ab7 s ALA 3 CO -0.08 0.72 -0.04 0.08 0.00 0.00 0.00 175.76 176.44 1ab7 s VAL 4 N -1.29 0.52 -0.22 0.00 1.01 -1.26 -0.60 120.40 118.56 1ab7 s VAL 4 Ca 0.26 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1ab7 s VAL 4 Cb -0.12 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1ab7 s VAL 4 CO 0.18 0.22 0.18 -0.63 0.00 0.00 0.00 175.10 175.05 1ab7 s ILE 5 N 0.90 5.36 -0.43 2.22 -1.09 -0.52 -4.91 121.20 122.74 1ab7 s ILE 5 Ca -0.11 0.24 -0.03 0.00 -2.23 0.00 0.00 60.65 58.52 1ab7 s ILE 5 Cb -0.14 -3.52 0.12 0.00 -1.58 0.00 0.00 42.46 37.34 1ab7 s ILE 5 CO 0.00 0.36 0.23 0.20 -1.23 0.00 0.00 174.94 174.51 1ab7 s ASN 6 N 0.85 5.27 0.00 3.58 -0.87 -1.26 -0.85 114.94 121.65 1ab7 s ASN 6 Ca 0.09 -2.11 0.20 0.00 -1.57 0.00 0.00 52.86 49.47 1ab7 s ASN 6 Cb -0.13 -1.84 0.97 0.00 -0.02 0.00 0.00 41.25 40.23 1ab7 s ASN 6 CO 0.03 -0.53 1.61 0.61 -2.57 0.00 0.00 177.10 176.25 1ab7 n GLY 7 N 4.49 -0.97 0.01 0.66 0.00 -1.20 -1.27 105.19 106.91 1ab7 n GLY 7 Ca -0.01 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1ab7 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ab7 n GLU 8 N -1.32 0.05 0.00 1.61 4.07 -1.26 -4.12 120.64 119.67 1ab7 n GLU 8 Ca 0.09 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 1ab7 n GLU 8 Cb 0.17 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.02 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1ab7 n GLN 9 N -1.59 0.50 -2.16 5.31 0.00 -0.87 -4.93 117.38 113.64 1ab7 n GLN 9 Ca 0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.65 1ab7 n GLN 9 Cb 0.35 -0.99 -0.03 0.00 0.00 0.00 0.00 30.24 29.57 1ab7 n GLN 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1ab7 s ILE 10 N -1.97 3.48 0.13 1.69 -1.09 -0.40 -4.82 121.20 118.23 1ab7 s ILE 10 Ca 0.00 0.32 -0.15 0.00 -2.23 0.00 0.00 60.65 58.60 1ab7 s ILE 10 Cb 0.00 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1ab7 s ILE 10 CO 0.00 -1.04 1.60 0.03 -1.23 0.00 0.00 174.94 174.30 1ab7 h ARG 11 N 13.52 0.69 -3.90 2.79 3.08 -1.90 -3.41 114.38 125.24 1ab7 h ARG 11 Ca -0.27 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.48 1ab7 h ARG 11 Cb 1.14 -0.08 -0.12 0.00 0.08 0.00 0.00 29.97 30.99 1ab7 h ARG 11 CO 1.21 0.74 -0.30 0.45 -1.07 0.00 0.00 179.97 181.00 1ab7 s SER 12 N -6.12 0.01 0.60 7.04 0.15 -1.26 -4.89 113.70 109.24 1ab7 s SER 12 Ca -0.13 -0.95 0.28 0.00 0.70 0.00 0.00 55.95 55.85 1ab7 s SER 12 Cb 0.10 0.47 1.22 0.00 -1.71 0.00 0.00 66.02 66.10 1ab7 s SER 12 CO 0.78 -0.96 1.61 -0.29 1.20 0.00 0.00 173.24 175.59 1ab7 h ILE 13 N 2.47 0.17 -0.05 6.45 6.09 -1.89 0.17 117.51 130.91 1ab7 h ILE 13 Ca -0.31 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.21 1ab7 h ILE 13 Cb 1.24 0.32 -0.03 0.00 0.47 0.00 0.00 36.82 38.83 1ab7 h ILE 13 CO 0.45 0.00 -0.09 0.28 -3.07 0.00 0.00 178.15 175.72 1ab7 h SER 14 N 0.00 -0.27 0.52 2.19 0.02 -1.95 0.63 113.55 114.69 1ab7 h SER 14 Ca 0.34 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1ab7 h SER 14 Cb 2.00 0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.67 1ab7 h SER 14 CO -0.00 -0.13 0.00 0.44 -1.14 0.00 0.00 176.83 176.00 1ab7 h ASP 15 N -0.13 0.00 0.54 3.07 5.19 -1.05 -2.81 116.42 121.22 1ab7 h ASP 15 Ca 0.05 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1ab7 h ASP 15 Cb 0.21 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.72 1ab7 h ASP 15 CO -0.13 0.00 -0.26 0.25 -3.12 0.00 0.00 179.24 175.98 1ab7 h LEU 16 N 0.00 -0.62 -2.16 1.55 5.85 -0.79 0.17 115.31 119.32 1ab7 h LEU 16 Ca 0.00 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1ab7 h LEU 16 Cb 0.26 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1ab7 h LEU 16 CO 0.00 -0.21 0.29 0.45 -0.34 0.00 0.00 178.44 178.63 1ab7 h HIS 17 N -1.20 0.00 0.10 1.25 3.86 -1.21 0.35 115.15 118.31 1ab7 h HIS 17 Ca -0.07 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.87 1ab7 h HIS 17 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1ab7 h HIS 17 CO 0.00 0.00 -1.25 1.96 0.86 0.00 0.00 177.93 179.50 1ab7 h GLN 18 N 0.00 0.21 -0.18 2.45 4.20 -1.31 -0.23 115.11 120.25 1ab7 h GLN 18 Ca 0.09 -0.36 -0.13 0.00 0.06 0.00 0.00 58.65 58.32 1ab7 h GLN 18 Cb 0.67 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1ab7 h GLN 18 CO -0.00 1.14 -0.44 1.15 -0.67 0.00 0.00 178.83 180.01 1ab7 h THR 19 N 0.06 1.31 0.19 -0.54 2.02 0.18 0.33 112.91 116.46 1ab7 h THR 19 Ca -0.13 -1.62 -0.31 0.00 0.77 0.00 0.00 66.41 65.13 1ab7 h THR 19 Cb 1.94 1.66 0.02 0.00 -1.74 0.00 0.00 68.15 70.03 1ab7 h THR 19 CO 0.18 0.50 -1.39 -0.07 0.37 0.00 0.00 175.52 175.10 1ab7 h LEU 20 N 0.35 0.62 -1.85 2.58 3.38 -1.27 -1.48 115.31 117.64 1ab7 h LEU 20 Ca 0.03 -0.68 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 1ab7 h LEU 20 Cb 0.91 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ab7 h LEU 20 CO 0.08 1.54 -0.08 0.50 0.09 0.00 0.00 178.44 180.56 1ab7 h LYS 21 N 0.11 0.00 0.10 1.13 3.64 -0.79 0.15 116.57 120.90 1ab7 h LYS 21 Ca -0.21 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.92 1ab7 h LYS 21 Cb 2.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.89 1ab7 h LYS 21 CO 0.23 0.08 -1.29 -0.22 -2.27 0.00 0.00 179.45 175.99 1ab7 h LYS 22 N 0.00 0.21 0.29 1.90 3.64 -0.20 -1.55 116.57 120.87 1ab7 h LYS 22 Ca -0.00 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1ab7 h LYS 22 Cb 0.39 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1ab7 h LYS 22 CO 0.01 1.17 -0.14 0.93 -2.27 0.00 0.00 179.45 179.15 1ab7 h GLU 23 N -0.41 -0.38 0.00 1.90 5.08 -1.06 -3.21 114.58 116.51 1ab7 h GLU 23 Ca -0.28 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1ab7 h GLU 23 Cb 1.67 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 1ab7 h GLU 23 CO 0.03 -0.23 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.70 1ab7 h LEU 24 N -1.10 0.00 -2.01 1.33 3.38 -0.92 -3.46 115.31 112.53 1ab7 h LEU 24 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1ab7 h LEU 24 Cb 0.33 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.14 1ab7 h LEU 24 CO 0.07 0.04 -0.29 0.00 0.09 0.00 0.00 178.44 178.36 1ab7 n ALA 25 N -2.37 -0.81 -1.54 1.53 0.00 -0.88 -4.80 120.51 111.64 1ab7 n ALA 25 Ca -0.03 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1ab7 n ALA 25 Cb 0.13 -1.39 0.11 0.00 0.00 0.00 0.00 19.45 18.30 1ab7 n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ab7 s LEU 26 N -3.63 2.42 0.00 0.00 1.43 -0.63 -5.00 118.68 113.26 1ab7 s LEU 26 Ca 0.03 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1ab7 s LEU 26 Cb -0.00 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1ab7 s LEU 26 CO 0.27 -2.16 0.00 -0.81 0.23 0.00 0.00 176.35 173.87 1ab7 n PRO 27 N -3.54 0.12 -0.03 1.29 -0.04 -1.26 -4.92 135.00 126.61 1ab7 n PRO 27 Ca 0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 1ab7 n PRO 27 Cb 0.57 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.90 1ab7 n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ab7 h GLU 28 N 0.00 0.10 0.00 0.54 4.57 -2.00 -3.25 114.58 114.55 1ab7 h GLU 28 Ca 0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1ab7 h GLU 28 Cb 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1ab7 h GLU 28 CO 0.00 1.09 0.00 2.48 -1.18 0.00 0.00 179.01 181.40 1ab7 n TYR 29 N -4.44 0.23 -1.33 0.92 0.18 -1.26 -4.79 117.16 106.68 1ab7 n TYR 29 Ca -0.12 0.11 -0.48 0.00 1.88 0.00 0.00 57.90 59.29 1ab7 n TYR 29 Cb 0.60 -0.68 -0.05 0.00 -0.38 0.00 0.00 39.34 38.84 1ab7 n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1ab7 n TYR 30 N -1.73 0.00 -0.58 -3.48 9.36 -1.23 -4.94 117.16 114.56 1ab7 n TYR 30 Ca 0.01 0.93 0.00 0.00 3.32 0.00 0.00 57.90 62.15 1ab7 n TYR 30 Cb 0.07 -1.85 0.00 0.00 -0.63 0.00 0.00 39.34 36.93 1ab7 n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ab7 n GLY 31 N 1.64 0.70 2.70 2.98 0.00 -1.26 -5.04 105.19 106.90 1ab7 n GLY 31 Ca 0.17 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 1ab7 n GLY 31 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ab7 n GLU 32 N 0.00 1.25 -1.00 1.61 0.28 -1.26 -4.81 120.64 116.71 1ab7 n GLU 32 Ca 0.00 -2.72 0.00 0.00 -0.16 0.00 0.00 57.16 54.28 1ab7 n GLU 32 Cb 0.00 -0.82 0.00 0.00 1.43 0.00 0.00 31.44 32.05 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1ab7 n ASN 33 N -0.40 0.00 0.00 -1.84 0.23 -1.26 -4.99 115.26 107.00 1ab7 n ASN 33 Ca 0.03 -0.64 0.14 0.00 -0.53 0.00 0.00 54.58 53.58 1ab7 n ASN 33 Cb 0.83 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 39.21 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ab7 n LEU 34 N 0.00 0.00 -0.04 -4.53 4.77 -1.26 -2.70 117.00 113.24 1ab7 n LEU 34 Ca 0.00 0.33 -0.01 0.00 -0.03 0.00 0.00 56.01 56.30 1ab7 n LEU 34 Cb 0.00 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1ab7 n LEU 34 CO 0.00 -0.02 -0.07 -2.24 -1.33 0.00 0.00 177.39 173.73 1ab7 h ASP 35 N 0.00 0.00 -0.34 -1.43 2.03 -1.97 -2.93 116.42 111.78 1ab7 h ASP 35 Ca 0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 1ab7 h ASP 35 Cb 0.31 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1ab7 h ASP 35 CO 0.00 0.42 -0.40 0.00 -1.03 0.00 0.00 179.24 178.23 1ab7 h ALA 36 N -1.26 0.50 0.25 4.15 0.00 -1.93 -0.16 119.26 120.81 1ab7 h ALA 36 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1ab7 h ALA 36 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ab7 h ALA 36 CO 0.00 0.61 -0.12 1.25 0.00 0.00 0.00 179.25 180.99 1ab7 h LEU 37 N 0.65 -0.29 -0.98 0.00 5.85 -1.72 0.23 115.31 119.07 1ab7 h LEU 37 Ca 0.05 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1ab7 h LEU 37 Cb 0.99 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 1ab7 h LEU 37 CO 0.10 -0.04 0.63 -0.25 -0.34 0.00 0.00 178.44 178.54 1ab7 h TRP 38 N -0.53 1.18 0.00 1.25 2.91 -1.54 0.43 115.95 119.64 1ab7 h TRP 38 Ca -0.03 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 1ab7 h TRP 38 Cb 0.39 -0.39 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1ab7 h TRP 38 CO -0.01 0.65 -0.06 -0.44 -1.03 0.00 0.00 178.44 177.56 1ab7 h ASP 39 N 1.20 0.00 0.00 2.65 3.32 -0.57 -1.12 116.42 121.89 1ab7 h ASP 39 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1ab7 h ASP 39 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1ab7 h ASP 39 CO -0.14 0.06 -0.00 0.00 -1.72 0.00 0.00 179.24 177.44 1ab7 h ALA 40 N 1.94 0.00 -0.95 3.45 0.00 0.31 -3.24 119.26 120.78 1ab7 h ALA 40 Ca -0.00 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1ab7 h ALA 40 Cb 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.76 1ab7 h ALA 40 CO 0.01 0.00 -0.40 1.28 0.00 0.00 0.00 179.25 180.14 1ab7 n LEU 41 N -2.15 -0.68 -2.17 0.00 4.77 0.42 0.26 117.00 117.45 1ab7 n LEU 41 Ca -0.00 1.66 -0.18 0.00 -0.03 0.00 0.00 56.01 57.46 1ab7 n LEU 41 Cb 0.00 -0.35 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 1ab7 n LEU 41 CO 0.00 -1.46 1.56 0.35 -1.33 0.00 0.00 177.39 176.51 1ab7 n THR 42 N -5.36 3.08 0.00 -5.08 -2.24 -0.43 -3.82 114.28 100.43 1ab7 n THR 42 Ca 0.08 -2.07 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 1ab7 n THR 42 Cb 0.36 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 1ab7 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ab7 n GLY 43 N 1.71 0.00 0.01 3.38 0.00 0.30 -4.84 105.19 105.75 1ab7 n GLY 43 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1ab7 n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ab7 n TRP 44 N 0.00 -0.01 -1.58 1.61 -0.00 0.72 -4.68 117.44 113.51 1ab7 n TRP 44 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.21 1ab7 n TRP 44 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 31.31 31.42 1ab7 n TRP 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1ab7 s VAL 45 N -1.01 2.62 -0.19 5.87 1.01 -0.92 -4.93 120.40 122.85 1ab7 s VAL 45 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1ab7 s VAL 45 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1ab7 s VAL 45 CO 0.00 -0.26 -0.11 -1.61 0.00 0.00 0.00 175.10 173.11 1ab7 s GLU 46 N -5.23 3.24 0.24 2.72 2.02 -1.26 -4.96 118.70 115.46 1ab7 s GLU 46 Ca 0.62 -0.71 0.05 0.00 0.02 0.00 0.00 54.97 54.95 1ab7 s GLU 46 Cb -0.14 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 1ab7 s GLU 46 CO 0.54 -0.13 0.30 0.71 0.02 0.00 0.00 175.26 176.69 1ab7 s TYR 47 N 1.22 3.34 0.43 1.61 2.02 -1.26 -3.09 117.35 121.63 1ab7 s TYR 47 Ca 0.02 -0.04 -0.24 0.00 -0.37 0.00 0.00 57.07 56.45 1ab7 s TYR 47 Cb -0.14 -1.52 -0.08 0.00 -0.40 0.00 0.00 41.96 39.81 1ab7 s TYR 47 CO -0.05 0.47 1.13 -1.25 -1.57 0.00 0.00 175.55 174.28 1ab7 s PRO 48 N -3.87 3.92 -0.07 -1.71 0.04 -1.26 -4.68 135.00 127.36 1ab7 s PRO 48 Ca 0.34 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.12 1ab7 s PRO 48 Cb -0.09 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1ab7 s PRO 48 CO 0.28 -0.40 -0.19 -1.17 0.04 0.00 0.00 177.00 175.55 1ab7 s LEU 49 N -2.84 1.92 -0.47 -3.56 2.96 -0.44 0.11 118.68 116.37 1ab7 s LEU 49 Ca 0.61 -0.44 -0.18 0.00 -0.22 0.00 0.00 54.13 53.90 1ab7 s LEU 49 Cb -0.27 -1.15 0.05 0.00 0.50 0.00 0.00 46.19 45.31 1ab7 s LEU 49 CO 0.33 0.13 0.51 -0.69 -1.32 0.00 0.00 176.35 175.32 1ab7 s VAL 50 N 0.33 5.02 -1.37 1.68 1.01 -0.53 0.22 120.40 126.76 1ab7 s VAL 50 Ca -0.13 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1ab7 s VAL 50 Cb -0.16 -4.17 0.10 0.00 0.00 0.00 0.00 36.38 32.16 1ab7 s VAL 50 CO 0.06 -0.61 2.04 -0.11 0.00 0.00 0.00 175.10 176.48 1ab7 n LEU 51 N 5.78 6.69 -4.57 3.92 7.94 -0.16 -0.40 117.00 136.20 1ab7 n LEU 51 Ca -0.08 -4.37 -0.22 0.00 -1.11 0.00 0.00 56.01 50.23 1ab7 n LEU 51 Cb 0.46 -1.58 -0.07 0.00 0.53 0.00 0.00 43.42 42.76 1ab7 n LEU 51 CO 0.50 1.20 1.32 -0.70 -1.11 0.00 0.00 177.39 178.59 1ab7 s GLU 52 N 1.93 2.07 -0.50 1.96 2.12 0.24 -1.56 118.70 124.95 1ab7 s GLU 52 Ca 0.44 -0.45 -0.29 0.00 0.36 0.00 0.00 54.97 55.03 1ab7 s GLU 52 Cb 0.11 -5.05 0.03 0.00 0.26 0.00 0.00 34.13 29.48 1ab7 s GLU 52 CO -0.04 -4.22 1.22 -0.46 -0.54 0.00 0.00 175.26 171.22 1ab7 s TRP 53 N 12.72 2.64 0.09 5.30 -0.11 -1.26 -1.43 118.94 136.88 1ab7 s TRP 53 Ca 0.76 0.60 -0.13 0.00 1.22 0.00 0.00 56.10 58.55 1ab7 s TRP 53 Cb -0.06 -4.44 -0.06 0.00 -1.50 0.00 0.00 33.47 27.41 1ab7 s TRP 53 CO 0.09 -1.54 0.47 1.03 -4.62 0.00 0.00 176.95 172.38 1ab7 s ARG 54 N 4.77 3.90 -0.79 5.86 0.52 -0.03 -3.55 118.95 129.63 1ab7 s ARG 54 Ca 0.49 0.37 -0.02 0.00 -0.52 0.00 0.00 55.73 56.06 1ab7 s ARG 54 Cb -0.08 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.35 1ab7 s ARG 54 CO 0.30 0.56 0.62 1.04 0.02 0.00 0.00 175.30 177.84 1ab7 n GLN 55 N 1.11 -1.54 0.21 3.54 6.02 -1.26 -3.26 117.38 122.20 1ab7 n GLN 55 Ca -0.08 0.91 0.15 0.00 -0.01 0.00 0.00 57.00 57.96 1ab7 n GLN 55 Cb 0.52 -2.82 0.66 0.00 1.02 0.00 0.00 30.24 29.63 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1ab7 h PHE 56 N -0.05 0.00 0.00 1.08 3.57 -1.93 -3.33 116.94 116.28 1ab7 h PHE 56 Ca -0.53 0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.97 1ab7 h PHE 56 Cb 1.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1ab7 h PHE 56 CO 0.21 0.00 0.00 0.39 -2.23 0.00 0.00 178.31 176.68 1ab7 n GLU 57 N -2.65 0.00 -0.86 1.11 1.02 -1.26 -4.15 120.64 113.84 1ab7 n GLU 57 Ca 0.01 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.81 1ab7 n GLU 57 Cb 0.22 -0.68 0.10 0.00 -0.02 0.00 0.00 31.44 31.06 1ab7 n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ab7 n GLN 58 N -0.27 -0.20 0.00 3.49 0.00 -1.25 -1.96 117.38 117.18 1ab7 n GLN 58 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 57.00 56.97 1ab7 n GLN 58 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 28.64 1ab7 n GLN 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ab7 n SER 59 N 0.15 0.00 0.11 2.61 2.88 -1.26 -4.59 113.62 113.51 1ab7 n SER 59 Ca 0.04 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.59 1ab7 n SER 59 Cb 0.54 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1ab7 n SER 59 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1ab7 h LYS 60 N 0.00 0.00 0.00 -1.46 3.64 -1.55 -3.34 116.57 113.85 1ab7 h LYS 60 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ab7 h LYS 60 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ab7 h LYS 60 CO 0.00 0.49 -0.00 0.37 -2.27 0.00 0.00 179.45 178.04 1ab7 h GLN 61 N 0.00 0.00 -1.41 1.90 4.15 -1.81 -3.33 115.11 114.62 1ab7 h GLN 61 Ca -0.04 0.00 0.41 0.00 0.77 0.00 0.00 58.65 59.79 1ab7 h GLN 61 Cb 1.46 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.09 1ab7 h GLN 61 CO 0.07 0.00 1.10 1.28 -1.93 0.00 0.00 178.83 179.35 1ab7 n LEU 62 N -2.43 0.00 0.00 -2.39 4.32 -1.26 -4.04 117.00 111.20 1ab7 n LEU 62 Ca -0.00 0.75 0.00 0.00 -0.02 0.00 0.00 56.01 56.74 1ab7 n LEU 62 Cb 0.00 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 1ab7 n LEU 62 CO 0.00 -0.75 0.00 1.07 -1.22 0.00 0.00 177.39 176.49 1ab7 n THR 63 N -3.37 0.00 -2.85 -5.08 5.66 -1.25 -4.93 114.28 102.46 1ab7 n THR 63 Ca 0.32 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.29 1ab7 n THR 63 Cb 1.52 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 70.31 1ab7 n THR 63 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ab7 s GLU 64 N 2.73 0.94 0.00 1.09 4.04 -1.26 -4.88 118.70 121.37 1ab7 s GLU 64 Ca 0.00 -0.82 0.00 0.00 0.04 0.00 0.00 54.97 54.19 1ab7 s GLU 64 Cb 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 34.13 34.14 1ab7 s GLU 64 CO 0.00 -1.20 0.00 -1.71 -1.84 0.00 0.00 175.26 170.51 1ab7 n ASN 65 N 3.25 -3.35 0.50 0.83 5.15 -1.26 -4.88 115.26 115.50 1ab7 n ASN 65 Ca 0.16 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.94 1ab7 n ASN 65 Cb 0.57 -1.98 -0.09 0.00 -0.53 0.00 0.00 39.78 37.75 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1ab7 h GLY 66 N 0.00 -1.34 0.90 8.20 0.00 -1.90 -0.63 103.07 108.30 1ab7 h GLY 66 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1ab7 h GLY 66 CO 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 176.54 176.13 1ab7 h ALA 67 N -1.36 0.25 0.00 3.60 0.00 -1.84 -1.37 119.26 118.54 1ab7 h ALA 67 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ab7 h ALA 67 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ab7 h ALA 67 CO 0.22 -0.16 0.00 -0.85 0.00 0.00 0.00 179.25 178.45 1ab7 n GLU 68 N -4.84 0.07 -0.07 0.00 0.28 -1.21 -1.71 120.64 113.16 1ab7 n GLU 68 Ca -0.04 0.53 -0.07 0.00 -0.16 0.00 0.00 57.16 57.42 1ab7 n GLU 68 Cb 0.12 -1.72 -0.04 0.00 1.43 0.00 0.00 31.44 31.23 1ab7 n GLU 68 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1ab7 h SER 69 N 0.00 0.00 -1.00 -1.84 0.87 0.03 -0.49 113.55 111.12 1ab7 h SER 69 Ca 0.00 -0.21 0.23 0.00 -1.23 0.00 0.00 61.79 60.58 1ab7 h SER 69 Cb 0.05 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.91 1ab7 h SER 69 CO 0.00 0.84 0.63 0.58 -0.53 0.00 0.00 176.83 178.35 1ab7 h VAL 70 N -1.00 0.61 -0.24 2.23 2.07 -1.23 0.59 116.25 119.27 1ab7 h VAL 70 Ca -0.06 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1ab7 h VAL 70 Cb 0.55 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1ab7 h VAL 70 CO -0.04 0.10 -0.09 0.25 0.02 0.00 0.00 177.57 177.81 1ab7 h LEU 71 N 0.52 0.49 -1.74 2.57 5.85 -1.42 0.94 115.31 122.54 1ab7 h LEU 71 Ca 0.57 -0.39 0.26 0.00 0.84 0.00 0.00 57.88 59.16 1ab7 h LEU 71 Cb 1.24 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 1ab7 h LEU 71 CO -0.31 0.77 0.66 1.56 -0.34 0.00 0.00 178.44 180.78 1ab7 h GLN 72 N 0.21 0.18 0.13 1.25 4.20 0.19 -0.47 115.11 120.80 1ab7 h GLN 72 Ca 0.06 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.56 1ab7 h GLN 72 Cb 0.57 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.32 1ab7 h GLN 72 CO 0.03 0.12 -0.93 0.28 -0.67 0.00 0.00 178.83 177.66 1ab7 h VAL 73 N 0.19 1.40 -0.05 -0.54 2.07 -0.59 -1.10 116.25 117.63 1ab7 h VAL 73 Ca 0.49 -2.49 0.04 0.00 0.82 0.00 0.00 66.70 65.55 1ab7 h VAL 73 Cb 1.60 3.08 -0.05 0.00 -1.52 0.00 0.00 31.29 34.40 1ab7 h VAL 73 CO -0.11 0.70 -0.23 -0.26 0.02 0.00 0.00 177.57 177.69 1ab7 h PHE 74 N -0.39 -0.62 -0.67 1.57 0.04 0.61 0.41 116.94 117.88 1ab7 h PHE 74 Ca -0.18 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.60 1ab7 h PHE 74 Cb 1.64 0.28 -0.03 0.00 2.20 0.00 0.00 35.95 40.04 1ab7 h PHE 74 CO 0.18 -0.32 0.34 0.00 -0.60 0.00 0.00 178.31 177.92 1ab7 h ARG 75 N -0.34 0.96 -0.01 1.51 3.08 -1.27 0.51 114.38 118.81 1ab7 h ARG 75 Ca 0.08 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ab7 h ARG 75 Cb 0.45 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1ab7 h ARG 75 CO -0.25 0.74 0.05 0.93 -1.07 0.00 0.00 179.97 180.37 1ab7 h GLU 76 N 0.93 0.00 0.00 0.04 5.08 0.26 0.23 114.58 121.12 1ab7 h GLU 76 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1ab7 h GLU 76 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ab7 h GLU 76 CO -0.03 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 177.87 1ab7 h ALA 77 N 1.92 0.02 0.00 3.43 0.00 0.19 -0.93 119.26 123.89 1ab7 h ALA 77 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ab7 h ALA 77 Cb 0.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ab7 h ALA 77 CO -0.00 0.07 0.00 1.17 0.00 0.00 0.00 179.25 180.49 1ab7 n LYS 78 N -4.67 0.02 -0.02 0.00 0.00 -0.60 0.18 118.16 113.07 1ab7 n LYS 78 Ca -0.07 0.28 -0.01 0.00 0.00 0.00 0.00 58.31 58.51 1ab7 n LYS 78 Cb 0.28 -1.50 -0.00 0.00 0.00 0.00 0.00 35.03 33.81 1ab7 n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ab7 n ALA 79 N -1.47 0.15 0.01 3.14 0.00 0.76 -4.58 120.51 118.51 1ab7 n ALA 79 Ca 0.03 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1ab7 n ALA 79 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.51 1ab7 n ALA 79 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ab7 h GLU 80 N -0.26 -0.52 0.00 0.00 4.39 -1.19 -3.44 114.58 113.56 1ab7 h GLU 80 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1ab7 h GLU 80 Cb 0.17 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1ab7 h GLU 80 CO 0.00 -0.35 0.00 0.41 -1.16 0.00 0.00 179.01 177.91 1ab7 n GLY 81 N -1.44 0.27 3.01 -3.84 0.00 -0.84 -5.08 105.19 97.26 1ab7 n GLY 81 Ca -0.05 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1ab7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab7 n ALA 82 N -1.30 -5.01 -2.89 4.61 0.00 0.47 -4.83 120.51 111.56 1ab7 n ALA 82 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 53.44 52.56 1ab7 n ALA 82 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1ab7 n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ab7 n ASP 83 N 3.26 5.44 -4.43 0.00 8.00 -1.26 -3.80 116.55 123.77 1ab7 n ASP 83 Ca -0.00 -3.66 -0.38 0.00 0.71 0.00 0.00 54.79 51.46 1ab7 n ASP 83 Cb 0.54 -0.80 -0.12 0.00 -0.02 0.00 0.00 41.12 40.72 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ab7 s ILE 84 N -4.18 4.48 -0.82 0.53 1.01 -1.26 -1.32 121.20 119.63 1ab7 s ILE 84 Ca 0.44 -0.40 -0.26 0.00 0.00 0.00 0.00 60.65 60.44 1ab7 s ILE 84 Cb 0.23 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.48 1ab7 s ILE 84 CO -0.11 0.12 1.42 -0.89 0.00 0.00 0.00 174.94 175.48 1ab7 s THR 85 N 1.60 3.73 0.02 2.92 2.01 0.13 -4.50 115.64 121.56 1ab7 s THR 85 Ca 0.05 -0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1ab7 s THR 85 Cb -0.17 -4.82 -0.04 0.00 0.01 0.00 0.00 72.50 67.48 1ab7 s THR 85 CO 0.05 -1.75 1.10 -0.63 -0.69 0.00 0.00 174.62 172.70 1ab7 s ILE 86 N 6.05 4.43 0.00 1.82 1.09 -1.26 -0.99 121.20 132.35 1ab7 s ILE 86 Ca 0.43 1.75 0.00 0.00 -1.10 0.00 0.00 60.65 61.73 1ab7 s ILE 86 Cb -0.06 -4.12 0.00 0.00 -1.06 0.00 0.00 42.46 37.22 1ab7 s ILE 86 CO 0.07 0.12 0.00 -0.38 -0.10 0.00 0.00 174.94 174.66 1ab7 n ILE 87 N 3.97 0.00 -2.37 2.92 2.08 -0.60 -4.90 119.36 120.46 1ab7 n ILE 87 Ca 0.08 0.16 -0.14 0.00 0.56 0.00 0.00 62.75 63.41 1ab7 n ILE 87 Cb 0.48 -0.77 0.00 0.00 -0.75 0.00 0.00 39.64 38.61 1ab7 n ILE 87 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1ab7 n LEU 88 N -1.34 -1.77 0.00 1.39 4.77 -1.25 -4.88 117.00 113.92 1ab7 n LEU 88 Ca 0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1ab7 n LEU 88 Cb 0.00 -2.08 0.00 0.00 -2.33 0.00 0.00 43.42 39.01 1ab7 n LEU 88 CO 0.00 -0.07 0.00 -0.24 -1.33 0.00 0.00 177.39 175.75