#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 0.63 0.00 1.97 2.20 -1.26 -0.41 119.74 122.87 1ab7 s LYS 2 Ca 0.00 -0.74 -0.07 0.00 -0.36 0.00 0.00 55.97 54.80 1ab7 s LYS 2 Cb 0.00 -1.92 -0.05 0.00 -1.51 0.00 0.00 37.83 34.35 1ab7 s LYS 2 CO 0.00 -0.85 0.27 0.00 -0.36 0.00 0.00 175.35 174.41 1ab7 s ALA 3 N 1.78 3.84 -0.06 3.13 0.00 0.17 -4.86 121.76 125.76 1ab7 s ALA 3 Ca 0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1ab7 s ALA 3 Cb -0.17 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.90 1ab7 s ALA 3 CO -0.20 0.64 -0.00 0.08 0.00 0.00 0.00 175.76 176.28 1ab7 s VAL 4 N -1.28 0.34 -0.21 0.00 1.01 -1.26 0.07 120.40 119.07 1ab7 s VAL 4 Ca 0.27 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 1ab7 s VAL 4 Cb -0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1ab7 s VAL 4 CO 0.15 0.23 0.71 -0.63 0.00 0.00 0.00 175.10 175.57 1ab7 s ILE 5 N 1.69 4.95 -0.46 2.22 1.09 -0.17 -4.86 121.20 125.65 1ab7 s ILE 5 Ca 0.00 1.34 -0.06 0.00 -1.10 0.00 0.00 60.65 60.83 1ab7 s ILE 5 Cb -0.13 -4.02 0.12 0.00 -1.06 0.00 0.00 42.46 37.38 1ab7 s ILE 5 CO -0.04 0.04 0.30 0.20 -0.10 0.00 0.00 174.94 175.34 1ab7 s ASN 6 N 1.28 5.50 0.00 3.58 -0.87 -1.26 0.13 114.94 123.30 1ab7 s ASN 6 Ca 0.31 -2.06 0.15 0.00 -1.57 0.00 0.00 52.86 49.69 1ab7 s ASN 6 Cb -0.16 -1.93 0.70 0.00 -0.02 0.00 0.00 41.25 39.85 1ab7 s ASN 6 CO 0.10 -0.60 1.42 0.61 -2.57 0.00 0.00 177.10 176.06 1ab7 n GLY 7 N 4.64 -0.84 0.02 0.66 0.00 -1.24 -1.41 105.19 107.02 1ab7 n GLY 7 Ca -0.04 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.35 0.08 0.00 1.61 2.13 -1.26 -3.96 120.64 117.88 1ab7 n GLU 8 Ca 0.06 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1ab7 n GLU 8 Cb 0.13 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1ab7 n GLN 9 N -1.70 1.41 -1.87 5.31 7.27 -0.69 -4.96 117.38 122.15 1ab7 n GLN 9 Ca 0.06 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.73 1ab7 n GLN 9 Cb 0.37 -0.91 -0.03 0.00 2.41 0.00 0.00 30.24 32.07 1ab7 n GLN 9 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ab7 s ILE 10 N -1.69 3.28 0.09 1.69 -1.09 -0.50 -4.80 121.20 118.19 1ab7 s ILE 10 Ca 0.00 0.23 -0.15 0.00 -2.23 0.00 0.00 60.65 58.50 1ab7 s ILE 10 Cb 0.00 -3.53 -0.09 0.00 -1.58 0.00 0.00 42.46 37.26 1ab7 s ILE 10 CO 0.00 -0.44 1.41 0.03 -1.23 0.00 0.00 174.94 174.71 1ab7 h ARG 11 N 15.32 0.68 -4.05 2.79 3.08 -1.91 -3.46 114.38 126.84 1ab7 h ARG 11 Ca -0.30 -0.36 -0.13 0.00 0.07 0.00 0.00 59.98 59.26 1ab7 h ARG 11 Cb 1.20 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 31.13 1ab7 h ARG 11 CO 1.11 0.97 -0.43 -1.54 -1.07 0.00 0.00 179.97 179.02 1ab7 s SER 12 N -6.53 0.14 0.61 7.04 1.04 -1.26 -4.99 113.70 109.74 1ab7 s SER 12 Ca -0.12 -0.96 0.27 0.00 0.48 0.00 0.00 55.95 55.62 1ab7 s SER 12 Cb 0.08 0.38 1.22 0.00 0.10 0.00 0.00 66.02 67.81 1ab7 s SER 12 CO 0.83 -0.83 1.64 -0.29 0.98 0.00 0.00 173.24 175.57 1ab7 h ILE 13 N 2.67 0.18 -0.09 -1.02 6.09 -1.84 0.15 117.51 123.65 1ab7 h ILE 13 Ca -0.33 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.19 1ab7 h ILE 13 Cb 1.22 0.36 -0.03 0.00 0.47 0.00 0.00 36.82 38.84 1ab7 h ILE 13 CO 0.52 0.00 -0.09 -1.28 -3.07 0.00 0.00 178.15 174.23 1ab7 h SER 14 N 0.00 -0.29 0.34 2.19 0.87 -1.97 0.14 113.55 114.83 1ab7 h SER 14 Ca 0.29 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1ab7 h SER 14 Cb 1.84 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.94 1ab7 h SER 14 CO -0.00 -0.13 0.00 0.44 -0.53 0.00 0.00 176.83 176.61 1ab7 h ASP 15 N -0.12 0.00 0.50 6.23 3.32 -1.08 -1.72 116.42 123.55 1ab7 h ASP 15 Ca 0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1ab7 h ASP 15 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1ab7 h ASP 15 CO -0.17 0.00 -0.24 0.25 -1.72 0.00 0.00 179.24 177.37 1ab7 h LEU 16 N 0.00 -0.56 -2.61 1.55 5.85 -0.70 0.79 115.31 119.62 1ab7 h LEU 16 Ca 0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1ab7 h LEU 16 Cb 0.17 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1ab7 h LEU 16 CO 0.00 -0.18 0.07 0.45 -0.34 0.00 0.00 178.44 178.44 1ab7 h HIS 17 N -1.12 0.00 0.03 1.25 3.86 -1.05 0.29 115.15 118.42 1ab7 h HIS 17 Ca -0.07 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.92 1ab7 h HIS 17 Cb 0.51 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 1ab7 h HIS 17 CO 0.01 0.00 -1.04 1.96 0.86 0.00 0.00 177.93 179.72 1ab7 h GLN 18 N 0.00 0.08 -0.06 2.45 4.20 -1.14 0.17 115.11 120.81 1ab7 h GLN 18 Ca 0.01 -0.14 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 1ab7 h GLN 18 Cb 0.16 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1ab7 h GLN 18 CO -0.00 1.04 -0.67 1.15 -0.67 0.00 0.00 178.83 179.67 1ab7 h THR 19 N 0.03 1.41 0.04 -0.54 2.02 0.20 0.34 112.91 116.41 1ab7 h THR 19 Ca -0.04 -2.14 -0.24 0.00 0.77 0.00 0.00 66.41 64.76 1ab7 h THR 19 Cb 1.78 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 70.28 1ab7 h THR 19 CO 0.15 0.63 -1.14 -0.07 0.37 0.00 0.00 175.52 175.46 1ab7 h LEU 20 N 0.17 0.13 -0.60 2.58 3.38 -1.19 -0.89 115.31 118.88 1ab7 h LEU 20 Ca -0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1ab7 h LEU 20 Cb 1.21 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ab7 h LEU 20 CO 0.11 1.12 -0.17 0.50 0.09 0.00 0.00 178.44 180.08 1ab7 h LYS 21 N 0.02 0.00 0.06 1.13 3.64 -0.74 -0.62 116.57 120.06 1ab7 h LYS 21 Ca -0.07 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.98 1ab7 h LYS 21 Cb 1.85 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.64 1ab7 h LYS 21 CO 0.15 0.17 -1.82 1.57 -2.27 0.00 0.00 179.45 177.24 1ab7 h LYS 22 N 0.00 0.12 0.04 1.90 2.10 -0.24 -1.96 116.57 118.53 1ab7 h LYS 22 Ca -0.00 -0.20 -0.06 0.00 -2.00 0.00 0.00 60.65 58.39 1ab7 h LYS 22 Cb 0.91 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1ab7 h LYS 22 CO 0.02 0.81 -0.25 0.93 -2.00 0.00 0.00 179.45 178.96 1ab7 h GLU 23 N 0.03 0.08 0.00 0.07 4.39 -1.14 -3.32 114.58 114.69 1ab7 h GLU 23 Ca -0.34 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.13 1ab7 h GLU 23 Cb 2.02 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.71 1ab7 h GLU 23 CO 0.09 1.06 -0.48 -0.07 -1.16 0.00 0.00 179.01 178.45 1ab7 h LEU 24 N -0.84 0.00 -2.21 1.33 3.38 -1.31 -3.43 115.31 112.24 1ab7 h LEU 24 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1ab7 h LEU 24 Cb 1.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.95 1ab7 h LEU 24 CO 0.03 0.48 -0.10 0.00 0.09 0.00 0.00 178.44 178.94 1ab7 n ALA 25 N -2.25 -0.38 -1.34 1.53 0.00 -0.85 -4.74 120.51 112.48 1ab7 n ALA 25 Ca 0.01 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1ab7 n ALA 25 Cb 0.68 -0.86 0.15 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.75 1.98 0.00 0.00 1.43 -0.80 -5.01 118.68 113.53 1ab7 s LEU 26 Ca 0.02 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1ab7 s LEU 26 Cb -0.00 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1ab7 s LEU 26 CO 0.09 -2.71 0.00 -0.81 0.23 0.00 0.00 176.35 173.15 1ab7 n PRO 27 N -3.90 0.20 -0.05 1.29 -0.04 -1.26 -4.96 135.00 126.29 1ab7 n PRO 27 Ca 0.06 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 -0.13 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 0.06 0.00 0.54 4.81 -2.01 -3.26 114.58 114.73 1ab7 h GLU 28 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1ab7 h GLU 28 Cb 0.00 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ab7 h GLU 28 CO 0.00 1.05 0.00 2.48 -0.73 0.00 0.00 179.01 181.81 1ab7 n TYR 29 N -4.50 0.46 -1.47 0.92 0.18 -1.26 -4.76 117.16 106.73 1ab7 n TYR 29 Ca -0.12 0.24 -0.55 0.00 1.88 0.00 0.00 57.90 59.35 1ab7 n TYR 29 Cb 0.56 -0.88 -0.06 0.00 -0.38 0.00 0.00 39.34 38.58 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 -1.97 0.32 0.00 -3.48 9.36 -1.23 -4.94 117.16 115.21 1ab7 n TYR 30 Ca -0.01 1.01 0.00 0.00 3.32 0.00 0.00 57.90 62.22 1ab7 n TYR 30 Cb 0.04 -2.06 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 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 1.70 0.86 2.67 2.98 0.00 -1.26 -5.04 105.19 107.10 1ab7 n GLY 31 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 0.43 -0.07 1.61 0.28 -1.26 -4.98 120.64 116.65 1ab7 n GLU 32 Ca 0.00 -0.98 0.00 0.00 -0.16 0.00 0.00 57.16 56.02 1ab7 n GLU 32 Cb 0.00 -0.03 0.00 0.00 1.43 0.00 0.00 31.44 32.84 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 -0.50 0.00 0.01 -1.84 2.04 -1.26 -4.94 115.26 108.77 1ab7 n ASN 33 Ca -0.21 -0.06 0.14 0.00 -0.44 0.00 0.00 54.58 54.01 1ab7 n ASN 33 Cb 0.70 0.00 0.58 0.00 -2.53 0.00 0.00 39.78 38.53 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ab7 n LEU 34 N 0.00 0.12 -0.06 -4.53 -0.00 -1.26 -2.47 117.00 108.80 1ab7 n LEU 34 Ca 0.00 0.50 -0.05 0.00 -0.00 0.00 0.00 56.01 56.45 1ab7 n LEU 34 Cb 0.00 -0.47 -0.04 0.00 -0.00 0.00 0.00 43.42 42.91 1ab7 n LEU 34 CO 0.00 -0.02 0.05 -2.24 -0.00 0.00 0.00 177.39 175.18 1ab7 h ASP 35 N 0.00 0.00 0.27 1.45 2.03 -1.97 -2.24 116.42 115.96 1ab7 h ASP 35 Ca 0.00 -0.30 -0.17 0.00 -0.73 0.00 0.00 57.03 55.83 1ab7 h ASP 35 Cb 0.53 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.02 1ab7 h ASP 35 CO 0.00 0.71 -0.67 0.00 -1.03 0.00 0.00 179.24 178.25 1ab7 h ALA 36 N -0.70 0.68 0.26 4.15 0.00 -1.96 0.37 119.26 122.07 1ab7 h ALA 36 Ca -0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1ab7 h ALA 36 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ab7 h ALA 36 CO -0.01 0.75 -0.13 1.25 0.00 0.00 0.00 179.25 181.11 1ab7 h LEU 37 N 0.26 -0.30 -1.23 0.00 5.85 -1.65 0.19 115.31 118.42 1ab7 h LEU 37 Ca -0.02 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1ab7 h LEU 37 Cb 1.22 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 1ab7 h LEU 37 CO 0.11 0.11 0.55 -0.25 -0.34 0.00 0.00 178.44 178.63 1ab7 h TRP 38 N -0.78 0.93 -0.16 1.25 -0.00 -1.43 0.55 115.95 116.31 1ab7 h TRP 38 Ca -0.04 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.84 1ab7 h TRP 38 Cb 0.51 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.35 1ab7 h TRP 38 CO 0.04 0.47 -0.08 -0.44 -0.00 0.00 0.00 178.44 178.43 1ab7 h ASP 39 N 0.90 0.23 0.00 2.65 3.32 -0.65 -0.96 116.42 121.91 1ab7 h ASP 39 Ca 0.37 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1ab7 h ASP 39 Cb 0.28 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1ab7 h ASP 39 CO -0.14 0.35 0.00 0.00 -1.72 0.00 0.00 179.24 177.72 1ab7 n ALA 40 N -2.49 0.00 -0.27 3.45 0.00 0.15 -4.01 120.51 117.34 1ab7 n ALA 40 Ca -0.01 -0.02 0.20 0.00 0.00 0.00 0.00 53.44 53.61 1ab7 n ALA 40 Cb 0.23 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.05 1ab7 n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ab7 n LEU 41 N -1.87 0.11 -1.56 0.00 4.77 0.11 0.21 117.00 118.77 1ab7 n LEU 41 Ca 0.00 1.36 -0.02 0.00 -0.03 0.00 0.00 56.01 57.32 1ab7 n LEU 41 Cb 0.00 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.49 1ab7 n LEU 41 CO 0.00 -1.46 1.07 0.35 -1.33 0.00 0.00 177.39 176.02 1ab7 n THR 42 N -4.98 2.13 0.00 -5.08 -2.24 -0.37 -4.14 114.28 99.60 1ab7 n THR 42 Ca 0.25 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1ab7 n THR 42 Cb 0.85 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 1.57 0.04 1.31 3.38 0.00 0.57 -4.94 105.19 107.12 1ab7 n GLY 43 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.99 -0.62 1.61 -0.00 0.25 -4.86 117.44 111.84 1ab7 n TRP 44 Ca 0.00 0.17 0.47 0.00 -0.00 0.00 0.00 57.50 58.14 1ab7 n TRP 44 Cb 0.00 0.73 0.72 0.00 -0.00 0.00 0.00 31.31 32.76 1ab7 n TRP 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1ab7 n VAL 45 N -2.33 0.00 -0.56 5.87 0.31 -1.22 -4.85 118.33 115.54 1ab7 n VAL 45 Ca 0.00 1.31 0.00 0.00 -0.01 0.00 0.00 64.34 65.64 1ab7 n VAL 45 Cb 0.00 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 30.74 1ab7 n VAL 45 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ab7 n GLU 46 N -3.68 -1.59 -4.30 5.55 2.13 -1.26 -4.45 120.64 113.04 1ab7 n GLU 46 Ca 0.39 1.19 -0.16 0.00 0.66 0.00 0.00 57.16 59.25 1ab7 n GLU 46 Cb 1.78 -1.38 -0.10 0.00 0.27 0.00 0.00 31.44 32.01 1ab7 n GLU 46 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1ab7 s TYR 47 N -3.06 1.45 0.33 4.31 2.02 -1.26 -4.03 117.35 117.11 1ab7 s TYR 47 Ca 0.00 -0.80 -0.28 0.00 -0.37 0.00 0.00 57.07 55.62 1ab7 s TYR 47 Cb 0.00 -0.78 -0.09 0.00 -0.40 0.00 0.00 41.96 40.69 1ab7 s TYR 47 CO 0.00 0.07 1.18 -1.25 -1.57 0.00 0.00 175.55 173.98 1ab7 s PRO 48 N -3.78 4.37 0.24 -1.71 0.04 -1.26 -4.83 135.00 128.06 1ab7 s PRO 48 Ca 0.22 1.92 0.09 0.00 0.04 0.00 0.00 61.00 63.28 1ab7 s PRO 48 Cb 0.03 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 1ab7 s PRO 48 CO 0.05 -0.07 -0.03 -1.17 0.04 0.00 0.00 177.00 175.82 1ab7 s LEU 49 N -1.90 3.15 -0.38 -3.56 2.96 -0.37 -1.96 118.68 116.61 1ab7 s LEU 49 Ca 0.50 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1ab7 s LEU 49 Cb -0.33 -1.72 0.11 0.00 0.50 0.00 0.00 46.19 44.75 1ab7 s LEU 49 CO 0.43 0.03 0.11 -0.69 -1.32 0.00 0.00 176.35 174.91 1ab7 s VAL 50 N -2.13 2.43 -1.45 1.68 1.01 0.45 -0.28 120.40 122.11 1ab7 s VAL 50 Ca 0.29 -2.53 -0.08 0.00 0.00 0.00 0.00 61.98 59.67 1ab7 s VAL 50 Cb -0.07 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1ab7 s VAL 50 CO 0.19 -0.65 2.59 -0.11 0.00 0.00 0.00 175.10 177.11 1ab7 n LEU 51 N 4.04 8.21 -4.56 3.92 7.94 0.10 0.45 117.00 137.10 1ab7 n LEU 51 Ca 0.04 -4.62 -0.16 0.00 -1.11 0.00 0.00 56.01 50.15 1ab7 n LEU 51 Cb 0.40 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.81 1ab7 n LEU 51 CO 0.25 1.98 1.22 -0.70 -1.11 0.00 0.00 177.39 179.03 1ab7 s GLU 52 N 0.53 1.68 -0.70 1.96 2.56 0.11 -1.54 118.70 123.30 1ab7 s GLU 52 Ca 0.59 0.13 -0.27 0.00 0.00 0.00 0.00 54.97 55.42 1ab7 s GLU 52 Cb 0.18 -4.88 0.03 0.00 2.00 0.00 0.00 34.13 31.45 1ab7 s GLU 52 CO -0.07 -4.50 1.26 -0.46 -0.56 0.00 0.00 175.26 170.92 1ab7 s TRP 53 N 14.46 2.37 0.00 5.30 -0.11 -1.00 -0.99 118.94 138.96 1ab7 s TRP 53 Ca 0.86 0.08 0.00 0.00 1.22 0.00 0.00 56.10 58.26 1ab7 s TRP 53 Cb -0.10 -4.60 0.00 0.00 -1.50 0.00 0.00 33.47 27.27 1ab7 s TRP 53 CO 0.09 -1.95 0.00 0.54 -4.62 0.00 0.00 176.95 171.01 1ab7 n ARG 54 N 9.12 3.12 -1.51 5.86 5.12 0.12 -4.31 116.66 134.18 1ab7 n ARG 54 Ca 0.05 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.65 1ab7 n ARG 54 Cb 0.49 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.62 1ab7 n ARG 54 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ab7 n GLN 55 N 0.00 0.11 0.08 5.56 1.13 -1.26 -4.58 117.38 118.43 1ab7 n GLN 55 Ca 0.00 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1ab7 n GLN 55 Cb 0.00 -1.59 -0.04 0.00 0.11 0.00 0.00 30.24 28.72 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1ab7 h PHE 56 N 12.23 0.00 0.33 1.08 3.04 -1.76 -3.30 116.94 128.55 1ab7 h PHE 56 Ca -0.03 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1ab7 h PHE 56 Cb 1.22 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.73 1ab7 h PHE 56 CO 1.20 0.59 -0.17 0.93 -2.02 0.00 0.00 178.31 178.84 1ab7 h GLU 57 N 0.00 -0.45 -7.21 1.11 5.08 -1.83 -3.36 114.58 107.93 1ab7 h GLU 57 Ca -0.08 0.03 -0.52 0.00 -1.00 0.00 0.00 59.36 57.79 1ab7 h GLU 57 Cb 1.52 0.10 0.13 0.00 0.50 0.00 0.00 28.75 31.00 1ab7 h GLU 57 CO 0.06 -0.30 0.37 1.14 -1.00 0.00 0.00 179.01 179.28 1ab7 s GLN 58 N -4.04 2.43 0.00 2.33 -2.07 -1.26 -2.76 119.66 114.29 1ab7 s GLN 58 Ca -0.07 1.50 0.00 0.00 -1.82 0.00 0.00 55.36 54.98 1ab7 s GLN 58 Cb 0.01 -1.89 0.00 0.00 -1.09 0.00 0.00 33.01 30.03 1ab7 s GLN 58 CO 0.21 -1.56 0.00 0.45 -1.32 0.00 0.00 175.29 173.07 1ab7 n SER 59 N -2.71 0.00 -0.07 12.60 2.88 -1.26 -4.76 113.62 120.29 1ab7 n SER 59 Ca 0.11 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.54 1ab7 n SER 59 Cb 0.51 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.98 0.00 0.00 -1.46 3.64 -1.66 -3.33 116.57 114.74 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 0.78 -0.06 0.37 -2.27 0.00 0.00 179.45 178.27 1ab7 h GLN 61 N -1.00 0.00 0.00 1.90 4.15 -1.87 -3.11 115.11 115.18 1ab7 h GLN 61 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1ab7 h GLN 61 Cb 0.81 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.50 1ab7 h GLN 61 CO -0.02 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 178.16 1ab7 n LEU 62 N -2.36 0.00 0.00 -2.39 4.32 -1.25 -4.46 117.00 110.86 1ab7 n LEU 62 Ca 0.05 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1ab7 n LEU 62 Cb 0.44 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1ab7 n LEU 62 CO 0.31 -0.06 0.00 1.07 -1.22 0.00 0.00 177.39 177.49 1ab7 n THR 63 N -1.15 0.00 0.00 -5.08 5.66 -1.18 -4.70 114.28 107.83 1ab7 n THR 63 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1ab7 n THR 63 Cb 0.11 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 1ab7 n THR 63 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1ab7 n GLU 64 N -0.13 0.00 -1.00 1.09 0.28 -1.23 -4.91 120.64 114.74 1ab7 n GLU 64 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ab7 n GLU 64 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ab7 n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ab7 n ASN 65 N 0.00 -3.01 0.40 -1.84 5.15 -1.23 -4.94 115.26 109.78 1ab7 n ASN 65 Ca 0.00 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.83 1ab7 n ASN 65 Cb 0.00 -0.52 -0.07 0.00 -0.53 0.00 0.00 39.78 38.66 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 -1.06 0.99 8.20 0.00 -1.89 0.71 103.07 110.02 1ab7 h GLY 66 Ca -0.00 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 1ab7 h GLY 66 CO 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 176.54 176.15 1ab7 h ALA 67 N -1.46 -0.02 -0.38 3.60 0.00 -1.82 -1.29 119.26 117.90 1ab7 h ALA 67 Ca -0.10 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1ab7 h ALA 67 Cb 0.78 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1ab7 h ALA 67 CO 0.17 -0.50 0.35 0.93 0.00 0.00 0.00 179.25 180.19 1ab7 h GLU 68 N -0.03 0.00 0.00 0.00 5.08 -1.88 -0.87 114.58 116.88 1ab7 h GLU 68 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ab7 h GLU 68 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ab7 h GLU 68 CO 0.00 0.00 -0.03 0.77 -1.00 0.00 0.00 179.01 178.76 1ab7 h SER 69 N 0.00 0.00 -0.47 1.42 0.02 0.23 -0.19 113.55 114.56 1ab7 h SER 69 Ca 0.18 -0.68 0.14 0.00 -0.84 0.00 0.00 61.79 60.59 1ab7 h SER 69 Cb 0.87 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 1ab7 h SER 69 CO -0.00 0.85 0.43 0.58 -1.14 0.00 0.00 176.83 177.55 1ab7 h VAL 70 N -1.00 0.48 0.20 2.27 2.07 -0.80 0.38 116.25 119.85 1ab7 h VAL 70 Ca -0.01 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.19 1ab7 h VAL 70 Cb 0.69 0.67 0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1ab7 h VAL 70 CO -0.00 0.00 -1.46 0.25 0.02 0.00 0.00 177.57 176.38 1ab7 h LEU 71 N 0.00 0.67 -1.01 2.57 5.85 -1.15 -0.53 115.31 121.70 1ab7 h LEU 71 Ca 0.22 -0.76 0.11 0.00 0.84 0.00 0.00 57.88 58.29 1ab7 h LEU 71 Cb 1.08 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 1ab7 h LEU 71 CO -0.00 1.60 0.64 0.06 -0.34 0.00 0.00 178.44 180.40 1ab7 h GLN 72 N 0.12 1.00 0.02 1.25 3.07 0.16 -0.73 115.11 120.00 1ab7 h GLN 72 Ca -0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.45 1ab7 h GLN 72 Cb 2.10 -0.23 0.00 0.00 0.08 0.00 0.00 27.48 29.43 1ab7 h GLN 72 CO 0.24 0.66 -0.01 0.28 0.09 0.00 0.00 178.83 180.09 1ab7 h VAL 73 N 1.03 1.50 -0.36 1.86 2.07 -1.28 -0.20 116.25 120.87 1ab7 h VAL 73 Ca 0.49 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 66.28 1ab7 h VAL 73 Cb 0.43 2.67 -0.09 0.00 -1.52 0.00 0.00 31.29 32.78 1ab7 h VAL 73 CO -0.25 0.45 -0.32 -0.26 0.02 0.00 0.00 177.57 177.21 1ab7 h PHE 74 N -0.83 -0.88 -0.97 1.57 0.04 -0.76 0.44 116.94 115.55 1ab7 h PHE 74 Ca -0.00 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1ab7 h PHE 74 Cb 0.75 0.44 -0.05 0.00 2.20 0.00 0.00 35.95 39.30 1ab7 h PHE 74 CO 0.19 -0.38 0.61 0.00 -0.60 0.00 0.00 178.31 178.13 1ab7 h ARG 75 N -0.27 1.30 -0.37 1.51 3.08 -1.23 -0.28 114.38 118.11 1ab7 h ARG 75 Ca 0.16 -0.10 0.11 0.00 0.07 0.00 0.00 59.98 60.22 1ab7 h ARG 75 Cb 0.53 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1ab7 h ARG 75 CO -0.51 0.88 0.28 0.93 -1.07 0.00 0.00 179.97 180.49 1ab7 h GLU 76 N 1.33 0.00 0.00 0.04 4.39 0.17 0.31 114.58 120.81 1ab7 h GLU 76 Ca 0.35 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 1ab7 h GLU 76 Cb -0.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1ab7 h GLU 76 CO -0.07 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 177.74 1ab7 h ALA 77 N 1.79 0.01 0.00 3.43 0.00 0.78 -1.68 119.26 123.58 1ab7 h ALA 77 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ab7 h ALA 77 Cb 0.74 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ab7 h ALA 77 CO -0.00 0.03 0.00 0.36 0.00 0.00 0.00 179.25 179.63 1ab7 n LYS 78 N -4.65 0.08 -0.01 0.00 -0.00 -0.63 0.15 118.16 113.10 1ab7 n LYS 78 Ca -0.08 0.53 -0.01 0.00 -0.00 0.00 0.00 58.31 58.75 1ab7 n LYS 78 Cb 0.37 -1.75 -0.00 0.00 -0.00 0.00 0.00 35.03 33.65 1ab7 n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ab7 h ALA 79 N 2.08 0.00 -0.00 0.58 0.00 -0.39 -3.42 119.26 118.11 1ab7 h ALA 79 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1ab7 h ALA 79 Cb 0.07 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1ab7 h ALA 79 CO 0.00 0.08 -0.40 0.93 0.00 0.00 0.00 179.25 179.86 1ab7 h GLU 80 N -0.17 -0.54 0.00 0.00 4.39 -1.25 -3.44 114.58 113.57 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 0.08 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1ab7 h GLU 80 CO 0.00 -0.36 0.00 0.41 -1.16 0.00 0.00 179.01 177.90 1ab7 n GLY 81 N -1.44 0.07 3.09 -3.84 0.00 -0.67 -5.10 105.19 97.31 1ab7 n GLY 81 Ca -0.06 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.62 -2.92 -2.72 4.61 0.00 0.39 -4.83 120.51 114.42 1ab7 n ALA 82 Ca 0.00 0.07 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 1ab7 n ALA 82 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 2.24 6.60 -4.87 0.00 8.00 -1.26 -3.70 116.55 123.56 1ab7 n ASP 83 Ca 0.10 -3.69 -0.26 0.00 0.71 0.00 0.00 54.79 51.65 1ab7 n ASP 83 Cb 0.39 -1.01 -0.04 0.00 -0.02 0.00 0.00 41.12 40.44 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 -4.38 4.88 -0.63 0.53 1.01 -1.26 -1.24 121.20 120.10 1ab7 s ILE 84 Ca 0.42 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1ab7 s ILE 84 Cb 0.22 -3.52 0.16 0.00 0.01 0.00 0.00 42.46 39.33 1ab7 s ILE 84 CO -0.13 -0.13 0.49 -0.89 0.00 0.00 0.00 174.94 174.28 1ab7 s THR 85 N -1.78 4.31 -0.69 2.92 2.01 0.62 -4.71 115.64 118.32 1ab7 s THR 85 Ca 0.33 -2.52 -0.27 0.00 0.31 0.00 0.00 61.69 59.54 1ab7 s THR 85 Cb -0.10 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.65 1ab7 s THR 85 CO 0.26 -0.89 1.41 -0.63 -0.69 0.00 0.00 174.62 174.08 1ab7 s ILE 86 N 0.38 3.66 -0.07 1.82 1.09 -1.26 0.01 121.20 126.82 1ab7 s ILE 86 Ca 0.14 0.40 -0.18 0.00 -1.10 0.00 0.00 60.65 59.91 1ab7 s ILE 86 Cb -0.19 -4.67 -0.05 0.00 -1.06 0.00 0.00 42.46 36.49 1ab7 s ILE 86 CO -0.04 -1.59 0.50 -0.63 -0.10 0.00 0.00 174.94 173.07 1ab7 s ILE 87 N 6.45 5.10 -0.00 2.92 -1.09 -0.59 -4.95 121.20 129.03 1ab7 s ILE 87 Ca 0.43 1.01 0.02 0.00 -2.23 0.00 0.00 60.65 59.88 1ab7 s ILE 87 Cb -0.09 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1ab7 s ILE 87 CO 0.17 0.39 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.45 1ab7 s LEU 88 N 0.17 2.03 0.00 2.97 1.43 -1.26 -2.38 118.68 121.64 1ab7 s LEU 88 Ca 0.27 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1ab7 s LEU 88 Cb -0.16 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.75 1ab7 s LEU 88 CO 0.12 0.05 0.00 -1.54 0.23 0.00 0.00 176.35 175.22