#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 0.21 -0.10 1.97 2.20 -1.26 -0.34 119.74 122.43 1ab7 s LYS 2 Ca 0.00 -0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 55.05 1ab7 s LYS 2 Cb 0.00 -1.37 -0.04 0.00 -1.51 0.00 0.00 37.83 34.91 1ab7 s LYS 2 CO 0.00 -0.94 0.17 0.00 -0.36 0.00 0.00 175.35 174.22 1ab7 s ALA 3 N 2.07 3.87 -0.11 3.13 0.00 1.00 -4.89 121.76 126.82 1ab7 s ALA 3 Ca 0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1ab7 s ALA 3 Cb -0.16 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 20.99 1ab7 s ALA 3 CO -0.30 0.61 -0.03 0.08 0.00 0.00 0.00 175.76 176.12 1ab7 s VAL 4 N -1.05 0.76 -0.38 0.00 1.01 -1.26 0.14 120.40 119.61 1ab7 s VAL 4 Ca 0.17 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.68 1ab7 s VAL 4 Cb -0.12 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1ab7 s VAL 4 CO 0.06 0.24 0.90 -0.63 0.00 0.00 0.00 175.10 175.67 1ab7 s ILE 5 N 1.81 4.59 -0.72 2.22 1.09 -0.14 -4.86 121.20 125.19 1ab7 s ILE 5 Ca 0.04 1.06 -0.13 0.00 -1.10 0.00 0.00 60.65 60.52 1ab7 s ILE 5 Cb -0.13 -4.33 0.19 0.00 -1.06 0.00 0.00 42.46 37.12 1ab7 s ILE 5 CO -0.07 -0.58 0.65 0.20 -0.10 0.00 0.00 174.94 175.04 1ab7 s ASN 6 N 1.94 6.40 0.00 3.58 -0.87 -1.26 0.30 114.94 125.03 1ab7 s ASN 6 Ca 0.37 -2.47 0.13 0.00 -1.57 0.00 0.00 52.86 49.32 1ab7 s ASN 6 Cb -0.12 -2.16 0.61 0.00 -0.02 0.00 0.00 41.25 39.57 1ab7 s ASN 6 CO 0.20 -0.62 1.37 0.61 -2.57 0.00 0.00 177.10 176.09 1ab7 n GLY 7 N 4.24 -0.81 0.07 0.66 0.00 -1.24 -1.53 105.19 106.58 1ab7 n GLY 7 Ca 0.06 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.38 0.18 0.00 1.61 2.13 -1.26 -3.81 120.64 118.11 1ab7 n GLU 8 Ca 0.05 0.17 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1ab7 n GLU 8 Cb 0.12 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.12 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 -2.02 1.67 -1.59 5.31 0.00 -0.66 -4.97 117.38 115.13 1ab7 n GLN 9 Ca 0.06 0.00 -0.38 0.00 -0.00 0.00 0.00 57.00 56.67 1ab7 n GLN 9 Cb 0.39 -0.92 -0.03 0.00 0.00 0.00 0.00 30.24 29.67 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 -1.74 3.02 0.11 1.69 -1.09 -0.58 -4.78 121.20 117.84 1ab7 s ILE 10 Ca 0.00 0.02 -0.15 0.00 -2.23 0.00 0.00 60.65 58.29 1ab7 s ILE 10 Cb 0.00 -3.05 -0.05 0.00 -1.58 0.00 0.00 42.46 37.79 1ab7 s ILE 10 CO 0.00 -0.04 1.50 0.03 -1.23 0.00 0.00 174.94 175.20 1ab7 h ARG 11 N 18.01 0.72 -3.96 2.79 3.08 -1.91 -3.46 114.38 129.65 1ab7 h ARG 11 Ca -0.29 -0.29 -0.11 0.00 0.07 0.00 0.00 59.98 59.36 1ab7 h ARG 11 Cb 1.25 -0.03 -0.14 0.00 0.08 0.00 0.00 29.97 31.14 1ab7 h ARG 11 CO 1.10 0.89 -0.43 -1.54 -1.07 0.00 0.00 179.97 178.92 1ab7 s SER 12 N -6.37 0.17 0.49 7.04 1.04 -1.26 -5.00 113.70 109.80 1ab7 s SER 12 Ca -0.13 -0.82 0.38 0.00 0.48 0.00 0.00 55.95 55.86 1ab7 s SER 12 Cb 0.09 0.34 1.55 0.00 0.10 0.00 0.00 66.02 68.11 1ab7 s SER 12 CO 0.81 -0.76 1.62 -0.29 0.98 0.00 0.00 173.24 175.61 1ab7 h ILE 13 N 2.76 0.11 -0.20 -1.02 -0.00 -1.86 0.22 117.51 117.52 1ab7 h ILE 13 Ca -0.33 -0.02 0.06 0.00 -0.00 0.00 0.00 64.86 64.57 1ab7 h ILE 13 Cb 1.20 0.06 -0.07 0.00 -0.00 0.00 0.00 36.82 38.01 1ab7 h ILE 13 CO 0.56 0.01 -0.25 -1.28 -0.00 0.00 0.00 178.15 177.19 1ab7 h SER 14 N 0.05 -0.78 0.09 2.19 0.87 -1.97 0.18 113.55 114.18 1ab7 h SER 14 Ca 0.84 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 61.53 1ab7 h SER 14 Cb 2.96 0.36 -0.00 0.00 -0.44 0.00 0.00 62.40 65.28 1ab7 h SER 14 CO -0.23 -0.29 -0.01 0.44 -0.53 0.00 0.00 176.83 176.20 1ab7 h ASP 15 N -0.27 0.00 0.53 6.23 5.19 -0.96 -1.44 116.42 125.70 1ab7 h ASP 15 Ca 0.12 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.51 1ab7 h ASP 15 Cb 0.46 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.98 1ab7 h ASP 15 CO -0.36 0.01 -0.26 0.25 -3.12 0.00 0.00 179.24 175.77 1ab7 h LEU 16 N 0.00 -0.61 -1.69 1.55 5.85 -0.60 0.49 115.31 120.30 1ab7 h LEU 16 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ab7 h LEU 16 Cb 0.06 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ab7 h LEU 16 CO 0.00 -0.29 0.00 0.45 -0.34 0.00 0.00 178.44 178.26 1ab7 h HIS 17 N -0.99 0.00 0.05 1.25 3.86 -1.15 0.22 115.15 118.39 1ab7 h HIS 17 Ca -0.07 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.90 1ab7 h HIS 17 Cb 0.55 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 1ab7 h HIS 17 CO 0.03 0.00 -1.13 1.96 0.86 0.00 0.00 177.93 179.65 1ab7 h GLN 18 N 0.00 0.11 -0.08 2.45 4.20 -1.02 -0.35 115.11 120.42 1ab7 h GLN 18 Ca 0.00 -0.20 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 1ab7 h GLN 18 Cb 0.12 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1ab7 h GLN 18 CO 0.00 1.08 -0.63 1.15 -0.67 0.00 0.00 178.83 179.76 1ab7 h THR 19 N 0.03 1.39 0.05 -0.54 2.02 0.17 0.12 112.91 116.14 1ab7 h THR 19 Ca -0.07 -2.02 -0.25 0.00 0.77 0.00 0.00 66.41 64.84 1ab7 h THR 19 Cb 1.86 2.02 0.01 0.00 -1.74 0.00 0.00 68.15 70.30 1ab7 h THR 19 CO 0.16 0.60 -1.06 -0.07 0.37 0.00 0.00 175.52 175.52 1ab7 h LEU 20 N 0.21 0.55 -1.26 2.58 3.38 -1.18 -1.54 115.31 118.04 1ab7 h LEU 20 Ca -0.01 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 1ab7 h LEU 20 Cb 1.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1ab7 h LEU 20 CO 0.10 1.30 -0.32 0.50 0.09 0.00 0.00 178.44 180.11 1ab7 h LYS 21 N 0.19 0.00 0.05 1.13 3.64 -0.83 0.27 116.57 121.02 1ab7 h LYS 21 Ca -0.11 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 1ab7 h LYS 21 Cb 1.72 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1ab7 h LYS 21 CO 0.18 0.32 -0.44 -0.22 -2.27 0.00 0.00 179.45 177.02 1ab7 h LYS 22 N 0.00 0.22 0.15 1.90 3.64 -0.58 -1.47 116.57 120.43 1ab7 h LYS 22 Ca -0.00 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1ab7 h LYS 22 Cb 0.70 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1ab7 h LYS 22 CO 0.04 1.07 -0.07 0.93 -2.27 0.00 0.00 179.45 179.15 1ab7 h GLU 23 N -0.49 -0.20 -0.35 1.90 4.39 -1.17 -3.22 114.58 115.44 1ab7 h GLU 23 Ca -0.07 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.75 1ab7 h GLU 23 Cb 1.27 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1ab7 h GLU 23 CO 0.09 -0.13 0.35 -0.07 -1.16 0.00 0.00 179.01 178.09 1ab7 h LEU 24 N -0.88 0.00 -2.08 1.33 3.38 -0.66 -3.46 115.31 112.94 1ab7 h LEU 24 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1ab7 h LEU 24 Cb 0.16 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.00 1ab7 h LEU 24 CO 0.03 0.00 -0.41 0.00 0.09 0.00 0.00 178.44 178.15 1ab7 n ALA 25 N -2.39 -1.19 -1.92 1.53 0.00 -0.64 -4.77 120.51 111.12 1ab7 n ALA 25 Ca 0.06 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 1ab7 n ALA 25 Cb 0.52 -2.02 0.05 0.00 0.00 0.00 0.00 19.45 17.99 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 -4.26 2.93 0.00 0.00 1.43 -0.68 -5.01 118.68 113.08 1ab7 s LEU 26 Ca 0.07 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1ab7 s LEU 26 Cb -0.01 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1ab7 s LEU 26 CO 0.38 -1.34 0.00 -0.81 0.23 0.00 0.00 176.35 174.81 1ab7 n PRO 27 N -2.96 0.45 -0.06 1.29 -0.04 -1.26 -4.93 135.00 127.49 1ab7 n PRO 27 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1ab7 n PRO 27 Cb 0.58 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.00 0.00 0.54 4.81 -2.01 -3.24 114.58 114.68 1ab7 h GLU 28 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ab7 h GLU 28 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ab7 h GLU 28 CO 0.00 0.66 0.05 0.10 -0.73 0.00 0.00 179.01 179.08 1ab7 h TYR 29 N -1.00 0.00 0.00 0.92 -0.00 -2.06 -3.44 116.97 111.40 1ab7 h TYR 29 Ca -0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.73 58.42 1ab7 h TYR 29 Cb 0.66 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.36 1ab7 h TYR 29 CO 0.18 0.00 0.64 0.98 -0.00 0.00 0.00 178.16 179.97 1ab7 n TYR 30 N -2.44 0.45 -2.35 0.10 9.36 -1.22 -4.77 117.16 116.28 1ab7 n TYR 30 Ca -0.02 0.30 -0.42 0.00 3.32 0.00 0.00 57.90 61.08 1ab7 n TYR 30 Cb 0.09 -1.04 -0.03 0.00 -0.63 0.00 0.00 39.34 37.73 1ab7 n TYR 30 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1ab7 s GLY 31 N 3.04 2.41 -0.50 2.98 0.00 -1.26 -4.89 107.32 109.10 1ab7 s GLY 31 Ca 0.56 0.95 -0.05 0.00 0.00 0.00 0.00 44.72 46.17 1ab7 s GLY 31 CO 0.28 2.04 3.07 -1.84 0.00 0.00 0.00 173.10 176.65 1ab7 n GLU 32 N 3.41 2.63 -1.22 2.90 -0.00 -1.26 -3.59 120.64 123.51 1ab7 n GLU 32 Ca 0.08 -1.95 0.00 0.00 -0.00 0.00 0.00 57.16 55.29 1ab7 n GLU 32 Cb 0.45 -2.21 0.00 0.00 -0.00 0.00 0.00 31.44 29.68 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1ab7 n ASN 33 N 1.85 0.09 0.10 -1.84 0.23 -1.26 -4.99 115.26 109.44 1ab7 n ASN 33 Ca 0.51 -0.61 -0.02 0.00 -0.53 0.00 0.00 54.58 53.93 1ab7 n ASN 33 Cb 0.62 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.28 1ab7 n ASN 33 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1ab7 h LEU 34 N 0.00 0.00 0.04 -4.53 4.07 -1.88 -2.44 115.31 110.57 1ab7 h LEU 34 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ab7 h LEU 34 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ab7 h LEU 34 CO 0.00 0.72 -0.02 -2.24 -1.08 0.00 0.00 178.44 175.82 1ab7 h ASP 35 N 0.00 -0.05 -0.14 -0.43 2.03 -1.96 0.03 116.42 115.90 1ab7 h ASP 35 Ca -0.01 -0.53 -0.18 0.00 -0.73 0.00 0.00 57.03 55.58 1ab7 h ASP 35 Cb 1.56 0.01 0.01 0.00 -0.83 0.00 0.00 39.33 40.08 1ab7 h ASP 35 CO 0.09 0.52 -0.64 0.00 -1.03 0.00 0.00 179.24 178.19 1ab7 h ALA 36 N 0.26 0.26 0.29 4.15 0.00 -1.76 0.13 119.26 122.60 1ab7 h ALA 36 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1ab7 h ALA 36 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ab7 h ALA 36 CO 0.01 0.54 -0.14 1.25 0.00 0.00 0.00 179.25 180.91 1ab7 h LEU 37 N 0.35 -0.33 -1.05 0.00 5.85 -1.49 0.18 115.31 118.82 1ab7 h LEU 37 Ca -0.04 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.66 1ab7 h LEU 37 Cb 1.27 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 1ab7 h LEU 37 CO 0.13 -0.10 0.63 -0.25 -0.34 0.00 0.00 178.44 178.52 1ab7 h TRP 38 N -0.56 1.15 0.00 1.25 -0.00 -1.04 0.53 115.95 117.27 1ab7 h TRP 38 Ca -0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.85 1ab7 h TRP 38 Cb 0.41 -0.37 -0.00 0.00 -0.00 0.00 0.00 29.16 29.19 1ab7 h TRP 38 CO -0.01 0.56 -0.14 -0.44 -0.00 0.00 0.00 178.44 178.41 1ab7 h ASP 39 N 1.09 0.00 0.00 2.65 3.32 -0.39 -1.04 116.42 122.05 1ab7 h ASP 39 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1ab7 h ASP 39 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1ab7 h ASP 39 CO -0.19 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 1ab7 n ALA 40 N -2.51 0.00 -0.35 3.45 0.00 0.15 -3.55 120.51 117.70 1ab7 n ALA 40 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ab7 n ALA 40 Cb 0.21 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.97 -0.56 -2.12 0.00 4.77 0.57 0.25 117.00 117.95 1ab7 n LEU 41 Ca 0.00 1.60 -0.17 0.00 -0.03 0.00 0.00 56.01 57.42 1ab7 n LEU 41 Cb 0.00 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 1ab7 n LEU 41 CO 0.00 -1.46 1.51 0.35 -1.33 0.00 0.00 177.39 176.47 1ab7 n THR 42 N -5.38 3.00 0.00 -5.08 -2.24 -0.40 -4.02 114.28 100.17 1ab7 n THR 42 Ca 0.10 -1.95 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 1ab7 n THR 42 Cb 0.38 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 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 1.64 0.00 1.26 3.38 0.00 0.32 -4.85 105.19 106.93 1ab7 n GLY 43 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.67 -1.19 1.61 -0.00 0.70 -4.71 117.44 112.18 1ab7 n TRP 44 Ca 0.00 0.05 -0.30 0.00 -0.00 0.00 0.00 57.50 57.25 1ab7 n TRP 44 Cb 0.00 0.42 0.13 0.00 -0.00 0.00 0.00 31.31 31.86 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 -2.00 2.75 -0.27 5.87 1.01 -1.04 -4.95 120.40 121.77 1ab7 s VAL 45 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1ab7 s VAL 45 Cb 0.00 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.72 1ab7 s VAL 45 CO 0.00 -0.32 -0.06 -1.61 0.00 0.00 0.00 175.10 173.11 1ab7 s GLU 46 N -4.91 2.42 0.52 2.72 2.02 -1.26 -4.94 118.70 115.26 1ab7 s GLU 46 Ca 0.63 -1.25 -0.05 0.00 0.02 0.00 0.00 54.97 54.31 1ab7 s GLU 46 Cb -0.18 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1ab7 s GLU 46 CO 0.57 -0.56 0.83 0.71 0.02 0.00 0.00 175.26 176.82 1ab7 s TYR 47 N 1.20 3.46 0.24 1.61 2.02 -1.26 -1.60 117.35 123.03 1ab7 s TYR 47 Ca -0.06 0.76 -0.30 0.00 -0.37 0.00 0.00 57.07 57.11 1ab7 s TYR 47 Cb -0.19 -2.45 -0.09 0.00 -0.40 0.00 0.00 41.96 38.83 1ab7 s TYR 47 CO -0.03 -0.46 1.24 -1.25 -1.57 0.00 0.00 175.55 173.47 1ab7 s PRO 48 N -4.83 4.46 0.30 -1.71 0.04 -1.26 -4.82 135.00 127.17 1ab7 s PRO 48 Ca 0.50 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.62 1ab7 s PRO 48 Cb -0.10 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1ab7 s PRO 48 CO 0.45 -0.11 0.13 -1.17 0.04 0.00 0.00 177.00 176.34 1ab7 s LEU 49 N -0.78 3.40 -0.32 -3.56 2.96 -0.29 -2.04 118.68 118.05 1ab7 s LEU 49 Ca 0.52 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1ab7 s LEU 49 Cb -0.35 -1.92 0.10 0.00 0.50 0.00 0.00 46.19 44.51 1ab7 s LEU 49 CO 0.42 -0.15 0.06 -0.69 -1.32 0.00 0.00 176.35 174.67 1ab7 s VAL 50 N -2.31 1.70 -1.36 1.68 1.01 0.54 -0.21 120.40 121.45 1ab7 s VAL 50 Ca 0.35 -1.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.32 1ab7 s VAL 50 Cb -0.05 -2.25 0.10 0.00 0.00 0.00 0.00 36.38 34.18 1ab7 s VAL 50 CO 0.23 -0.59 2.16 -0.11 0.00 0.00 0.00 175.10 176.78 1ab7 n LEU 51 N 4.50 7.17 -4.57 3.92 7.94 0.26 -0.00 117.00 136.23 1ab7 n LEU 51 Ca 0.01 -4.55 -0.21 0.00 -1.11 0.00 0.00 56.01 50.14 1ab7 n LEU 51 Cb 0.42 -1.51 -0.07 0.00 0.53 0.00 0.00 43.42 42.80 1ab7 n LEU 51 CO 0.18 1.51 1.30 -0.70 -1.11 0.00 0.00 177.39 178.57 1ab7 s GLU 52 N 0.91 2.08 -0.71 1.96 2.56 0.12 -1.64 118.70 123.98 1ab7 s GLU 52 Ca 0.47 -0.22 -0.27 0.00 0.00 0.00 0.00 54.97 54.95 1ab7 s GLU 52 Cb 0.13 -5.00 0.03 0.00 2.00 0.00 0.00 34.13 31.30 1ab7 s GLU 52 CO -0.04 -4.08 1.24 -0.46 -0.56 0.00 0.00 175.26 171.36 1ab7 s TRP 53 N 12.56 2.35 0.00 5.30 -0.11 -1.26 -0.96 118.94 136.82 1ab7 s TRP 53 Ca 0.78 -0.03 0.00 0.00 1.22 0.00 0.00 56.10 58.07 1ab7 s TRP 53 Cb -0.07 -4.58 0.00 0.00 -1.50 0.00 0.00 33.47 27.31 1ab7 s TRP 53 CO 0.06 -1.98 0.00 0.54 -4.62 0.00 0.00 176.95 170.95 1ab7 n ARG 54 N 9.12 3.19 -1.51 5.86 5.12 0.15 -3.76 116.66 134.83 1ab7 n ARG 54 Ca 0.03 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.64 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 0.10 -0.09 5.56 6.02 -1.25 -4.70 117.38 123.02 1ab7 n GLN 55 Ca 0.00 -0.05 -0.20 0.00 -0.01 0.00 0.00 57.00 56.74 1ab7 n GLN 55 Cb 0.00 -1.56 -0.12 0.00 1.02 0.00 0.00 30.24 29.58 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 12.15 0.02 -0.81 1.08 3.04 -1.82 -3.29 116.94 127.32 1ab7 h PHE 56 Ca -0.02 -0.02 0.24 0.00 3.98 0.00 0.00 57.97 62.15 1ab7 h PHE 56 Cb 1.22 -0.00 -0.15 0.00 2.56 0.00 0.00 35.95 39.57 1ab7 h PHE 56 CO 1.21 1.36 0.08 -0.85 -2.02 0.00 0.00 178.31 178.08 1ab7 n GLU 57 N -4.45 -0.06 -2.04 1.11 0.28 -1.26 -4.09 120.64 110.13 1ab7 n GLU 57 Ca -0.25 1.19 -0.31 0.00 -0.16 0.00 0.00 57.16 57.63 1ab7 n GLU 57 Cb 0.64 -1.93 -0.00 0.00 1.43 0.00 0.00 31.44 31.57 1ab7 n GLU 57 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1ab7 s GLN 58 N -5.67 3.69 0.00 3.44 1.03 -1.26 -3.61 119.66 117.28 1ab7 s GLN 58 Ca -0.10 0.79 0.00 0.00 0.04 0.00 0.00 55.36 56.09 1ab7 s GLN 58 Cb 0.24 -2.10 0.00 0.00 0.03 0.00 0.00 33.01 31.18 1ab7 s GLN 58 CO 0.63 -0.48 0.00 0.45 -2.54 0.00 0.00 175.29 173.35 1ab7 n SER 59 N -2.42 0.00 -0.00 12.60 2.88 -1.26 -4.78 113.62 120.64 1ab7 n SER 59 Ca 0.06 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.42 1ab7 n SER 59 Cb 0.54 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 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 1.22 0.18 0.00 -1.46 3.11 -1.71 -3.30 116.57 114.62 1ab7 h LYS 60 Ca 0.00 -0.31 0.00 0.00 -2.81 0.00 0.00 60.65 57.53 1ab7 h LYS 60 Cb 0.00 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1ab7 h LYS 60 CO 0.00 1.15 -0.03 0.94 -2.81 0.00 0.00 179.45 178.70 1ab7 n GLN 61 N -4.27 0.27 0.00 1.90 7.27 -1.26 -2.94 117.38 118.34 1ab7 n GLN 61 Ca -0.15 0.21 0.10 0.00 0.07 0.00 0.00 57.00 57.24 1ab7 n GLN 61 Cb 0.72 -1.81 0.53 0.00 2.41 0.00 0.00 30.24 32.09 1ab7 n GLN 61 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1ab7 n LEU 62 N -2.28 0.00 0.00 1.69 4.32 -1.24 -4.53 117.00 114.96 1ab7 n LEU 62 Ca 0.05 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 1ab7 n LEU 62 Cb 0.43 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1ab7 n LEU 62 CO 0.31 -0.08 0.00 1.07 -1.22 0.00 0.00 177.39 177.47 1ab7 n THR 63 N -1.23 0.00 0.00 -5.08 5.66 -1.15 -4.76 114.28 107.72 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 0.14 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 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 -0.15 0.00 0.00 1.09 0.28 -1.15 -4.97 120.64 115.74 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 0.27 -0.16 0.00 0.00 177.13 177.24 1ab7 n ASN 65 N 0.00 0.00 -0.07 -1.84 0.23 -1.26 -4.97 115.26 107.35 1ab7 n ASN 65 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1ab7 n ASN 65 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.61 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ab7 h GLY 66 N 0.00 0.00 0.74 4.83 0.00 -1.87 -2.36 103.07 104.41 1ab7 h GLY 66 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1ab7 h GLY 66 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.45 1ab7 h ALA 67 N -0.31 0.21 0.00 3.60 0.00 -1.87 -1.49 119.26 119.40 1ab7 h ALA 67 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ab7 h ALA 67 Cb 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ab7 h ALA 67 CO -0.01 0.03 0.00 1.49 0.00 0.00 0.00 179.25 180.76 1ab7 h GLU 68 N -0.03 0.00 0.00 0.00 4.81 -1.91 -2.19 114.58 115.26 1ab7 h GLU 68 Ca 0.03 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1ab7 h GLU 68 Cb 0.58 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1ab7 h GLU 68 CO 0.03 0.00 -0.41 0.77 -0.73 0.00 0.00 179.01 178.66 1ab7 h SER 69 N 0.00 0.00 -0.58 1.04 0.02 -0.97 -0.75 113.55 112.31 1ab7 h SER 69 Ca 0.00 -0.29 0.17 0.00 -0.84 0.00 0.00 61.79 60.83 1ab7 h SER 69 Cb 0.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1ab7 h SER 69 CO 0.00 0.88 0.54 0.58 -1.14 0.00 0.00 176.83 177.69 1ab7 h VAL 70 N -1.00 0.42 0.17 2.27 2.07 -1.19 0.30 116.25 119.29 1ab7 h VAL 70 Ca -0.07 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.20 1ab7 h VAL 70 Cb 0.61 0.59 0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1ab7 h VAL 70 CO -0.04 0.00 -1.13 0.25 0.02 0.00 0.00 177.57 176.67 1ab7 h LEU 71 N 0.00 0.57 -2.09 2.57 5.85 -1.45 -0.30 115.31 120.46 1ab7 h LEU 71 Ca 0.28 -0.93 0.07 0.00 0.84 0.00 0.00 57.88 58.14 1ab7 h LEU 71 Cb 1.35 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1ab7 h LEU 71 CO -0.00 1.53 0.20 1.56 -0.34 0.00 0.00 178.44 181.39 1ab7 h GLN 72 N -0.19 0.00 0.04 1.25 4.20 0.11 -0.51 115.11 120.01 1ab7 h GLN 72 Ca -0.21 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 1ab7 h GLN 72 Cb 1.83 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.60 1ab7 h GLN 72 CO 0.18 0.00 -0.76 0.28 -0.67 0.00 0.00 178.83 177.85 1ab7 h VAL 73 N 0.00 1.35 -0.09 -0.54 2.07 -1.19 -0.75 116.25 117.10 1ab7 h VAL 73 Ca 0.11 -2.33 0.04 0.00 0.82 0.00 0.00 66.70 65.34 1ab7 h VAL 73 Cb 0.51 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 33.11 1ab7 h VAL 73 CO -0.00 0.56 -0.34 -0.26 0.02 0.00 0.00 177.57 177.54 1ab7 h PHE 74 N -0.77 -0.95 -0.79 1.57 0.04 -0.50 0.17 116.94 115.70 1ab7 h PHE 74 Ca -0.18 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.63 1ab7 h PHE 74 Cb 1.33 0.43 -0.04 0.00 2.20 0.00 0.00 35.95 39.87 1ab7 h PHE 74 CO 0.18 -0.42 0.52 0.00 -0.60 0.00 0.00 178.31 178.00 1ab7 h ARG 75 N -0.44 1.04 -0.36 1.51 3.08 -1.25 0.17 114.38 118.12 1ab7 h ARG 75 Ca 0.08 -0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.17 1ab7 h ARG 75 Cb 0.57 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1ab7 h ARG 75 CO -0.34 0.69 0.32 0.93 -1.07 0.00 0.00 179.97 180.50 1ab7 h GLU 76 N 1.07 0.00 0.00 0.04 4.39 0.69 0.24 114.58 121.01 1ab7 h GLU 76 Ca 0.29 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 1ab7 h GLU 76 Cb -0.12 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1ab7 h GLU 76 CO -0.06 0.00 -0.05 0.00 -1.16 0.00 0.00 179.01 177.74 1ab7 h ALA 77 N 1.70 0.01 0.00 3.43 0.00 0.12 -1.49 119.26 123.03 1ab7 h ALA 77 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ab7 h ALA 77 Cb 0.81 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ab7 h ALA 77 CO -0.00 0.03 0.00 0.36 0.00 0.00 0.00 179.25 179.64 1ab7 n LYS 78 N -4.66 0.09 -0.00 0.00 -0.00 -0.63 0.15 118.16 113.11 1ab7 n LYS 78 Ca -0.07 0.54 -0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1ab7 n LYS 78 Cb 0.33 -1.75 -0.00 0.00 -0.00 0.00 0.00 35.03 33.60 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 -1.66 0.01 0.04 0.58 0.00 0.80 -4.60 120.51 115.68 1ab7 n ALA 79 Ca -0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 1ab7 n ALA 79 Cb 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.03 -0.62 0.00 0.00 4.39 -1.24 -3.44 114.58 113.64 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 0.01 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1ab7 h GLU 80 CO 0.00 -0.42 0.00 0.41 -1.16 0.00 0.00 179.01 177.84 1ab7 n GLY 81 N -1.46 0.11 3.26 -3.84 0.00 -0.79 -5.09 105.19 97.38 1ab7 n GLY 81 Ca -0.07 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.81 -3.03 -2.61 4.61 0.00 0.40 -4.83 120.51 114.24 1ab7 n ALA 82 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.05 1ab7 n ALA 82 Cb 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.04 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 2.46 6.47 -4.94 0.00 9.92 -1.26 -3.67 116.55 125.54 1ab7 n ASP 83 Ca 0.08 -3.71 -0.24 0.00 -0.53 0.00 0.00 54.79 50.39 1ab7 n ASP 83 Cb 0.47 -0.95 -0.03 0.00 -0.64 0.00 0.00 41.12 39.97 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ab7 s ILE 84 N -4.56 5.19 -0.55 0.53 1.01 -1.26 -1.14 121.20 120.42 1ab7 s ILE 84 Ca 0.44 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 1ab7 s ILE 84 Cb 0.26 -3.73 0.14 0.00 0.01 0.00 0.00 42.46 39.14 1ab7 s ILE 84 CO -0.18 -0.19 0.35 -0.89 0.00 0.00 0.00 174.94 174.03 1ab7 s THR 85 N -1.85 3.42 -0.43 2.92 2.01 0.71 -4.66 115.64 117.75 1ab7 s THR 85 Ca 0.34 -2.77 -0.29 0.00 0.31 0.00 0.00 61.69 59.28 1ab7 s THR 85 Cb -0.10 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.14 1ab7 s THR 85 CO 0.28 -0.81 1.40 -0.63 -0.69 0.00 0.00 174.62 174.17 1ab7 s ILE 86 N 0.23 3.90 -0.10 1.82 1.09 -1.26 -0.57 121.20 126.31 1ab7 s ILE 86 Ca 0.15 0.91 -0.02 0.00 -1.10 0.00 0.00 60.65 60.58 1ab7 s ILE 86 Cb -0.21 -4.24 -0.02 0.00 -1.06 0.00 0.00 42.46 36.92 1ab7 s ILE 86 CO -0.03 -0.81 0.07 0.40 -0.10 0.00 0.00 174.94 174.47 1ab7 h ILE 87 N 6.46 0.14 0.00 2.92 1.08 -1.66 -3.47 117.51 122.97 1ab7 h ILE 87 Ca -0.27 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.10 1ab7 h ILE 87 Cb 1.10 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1ab7 h ILE 87 CO 1.10 0.05 0.00 0.18 -0.69 0.00 0.00 178.15 178.78 1ab7 n LEU 88 N -4.77 0.00 0.00 1.44 4.77 -1.25 -4.84 117.00 112.35 1ab7 n LEU 88 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1ab7 n LEU 88 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1ab7 n LEU 88 CO 0.03 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.85