#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 2.03 0.42 1.97 -2.85 -1.26 -0.63 119.74 119.42 1ab7 s LYS 2 Ca 0.00 -1.20 -0.09 0.00 -1.00 0.00 0.00 55.97 53.68 1ab7 s LYS 2 Cb 0.00 -2.77 -0.06 0.00 -2.06 0.00 0.00 37.83 32.95 1ab7 s LYS 2 CO 0.00 -0.57 0.76 0.00 0.10 0.00 0.00 175.35 175.64 1ab7 s ALA 3 N 1.21 3.37 -0.05 0.59 0.00 0.27 -4.83 121.76 122.32 1ab7 s ALA 3 Ca -0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 1ab7 s ALA 3 Cb -0.19 -2.66 0.03 0.00 0.00 0.00 0.00 23.12 20.30 1ab7 s ALA 3 CO -0.06 -0.08 0.12 0.08 0.00 0.00 0.00 175.76 175.83 1ab7 s VAL 4 N -2.45 -0.04 -0.09 0.00 1.01 -1.26 -0.82 120.40 116.75 1ab7 s VAL 4 Ca 0.50 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 1ab7 s VAL 4 Cb -0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1ab7 s VAL 4 CO 0.35 0.05 0.05 -0.63 0.00 0.00 0.00 175.10 174.92 1ab7 s ILE 5 N 0.85 4.73 -0.19 2.22 -1.09 -0.59 -4.88 121.20 122.26 1ab7 s ILE 5 Ca -0.07 -0.10 -0.02 0.00 -2.23 0.00 0.00 60.65 58.23 1ab7 s ILE 5 Cb -0.09 -3.03 0.06 0.00 -1.58 0.00 0.00 42.46 37.82 1ab7 s ILE 5 CO -0.04 0.60 0.02 0.20 -1.23 0.00 0.00 174.94 174.49 1ab7 s ASN 6 N -0.97 2.96 0.00 3.58 0.01 -1.26 -0.78 114.94 118.48 1ab7 s ASN 6 Ca 0.14 -0.82 0.08 0.00 -0.71 0.00 0.00 52.86 51.55 1ab7 s ASN 6 Cb -0.12 -0.69 0.39 0.00 0.41 0.00 0.00 41.25 41.25 1ab7 s ASN 6 CO 0.03 -0.28 1.26 0.61 -1.51 0.00 0.00 177.10 177.21 1ab7 n GLY 7 N 4.99 -0.77 0.04 0.66 0.00 -1.26 -2.22 105.19 106.64 1ab7 n GLY 7 Ca -0.09 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1ab7 n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ab7 n GLU 8 N -0.44 0.64 -0.01 1.61 0.28 -1.26 -4.30 120.64 117.17 1ab7 n GLU 8 Ca 0.06 -0.10 0.04 0.00 -0.16 0.00 0.00 57.16 57.00 1ab7 n GLU 8 Cb 0.07 -1.62 -0.07 0.00 1.43 0.00 0.00 31.44 31.25 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ab7 n GLN 9 N -2.39 0.39 -2.60 3.44 -0.06 -1.16 -4.90 117.38 110.10 1ab7 n GLN 9 Ca -0.03 -0.08 -0.42 0.00 -2.00 0.00 0.00 57.00 54.47 1ab7 n GLN 9 Cb 0.57 -1.21 -0.02 0.00 -4.06 0.00 0.00 30.24 25.51 1ab7 n GLN 9 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ab7 s ILE 10 N -2.60 4.05 0.03 1.69 -1.09 -0.94 -4.86 121.20 117.48 1ab7 s ILE 10 Ca -0.03 0.89 -0.18 0.00 -2.23 0.00 0.00 60.65 59.10 1ab7 s ILE 10 Cb 0.06 -4.71 -0.18 0.00 -1.58 0.00 0.00 42.46 36.04 1ab7 s ILE 10 CO 0.37 -1.30 1.22 0.03 -1.23 0.00 0.00 174.94 174.03 1ab7 h ARG 11 N 9.50 0.48 -4.68 2.79 3.08 -1.90 -3.43 114.38 120.23 1ab7 h ARG 11 Ca -0.25 -0.40 -0.28 0.00 0.07 0.00 0.00 59.98 59.13 1ab7 h ARG 11 Cb 1.06 0.08 -0.15 0.00 0.08 0.00 0.00 29.97 31.04 1ab7 h ARG 11 CO 1.18 1.03 -0.62 0.45 -1.07 0.00 0.00 179.97 180.94 1ab7 s SER 12 N -6.62 0.48 0.57 7.04 0.15 -1.26 -4.94 113.70 109.11 1ab7 s SER 12 Ca -0.13 -1.39 0.28 0.00 0.70 0.00 0.00 55.95 55.40 1ab7 s SER 12 Cb 0.05 0.32 1.50 0.00 -1.71 0.00 0.00 66.02 66.18 1ab7 s SER 12 CO 0.82 -0.81 1.98 -0.29 1.20 0.00 0.00 173.24 176.13 1ab7 h ILE 13 N 2.54 0.52 -0.48 6.45 6.09 -1.91 -0.29 117.51 130.43 1ab7 h ILE 13 Ca -0.36 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.15 1ab7 h ILE 13 Cb 1.25 0.71 -0.03 0.00 0.47 0.00 0.00 36.82 39.21 1ab7 h ILE 13 CO 0.55 0.00 0.28 0.28 -3.07 0.00 0.00 178.15 176.19 1ab7 h SER 14 N 0.00 0.44 0.70 2.19 0.02 -1.97 0.77 113.55 115.70 1ab7 h SER 14 Ca 0.20 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1ab7 h SER 14 Cb 0.98 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1ab7 h SER 14 CO -0.00 0.31 0.00 0.44 -1.14 0.00 0.00 176.83 176.44 1ab7 h ASP 15 N 0.55 0.00 0.31 3.07 5.19 -1.44 -2.95 116.42 121.15 1ab7 h ASP 15 Ca 0.19 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1ab7 h ASP 15 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1ab7 h ASP 15 CO -0.10 0.00 -0.15 0.25 -3.12 0.00 0.00 179.24 176.12 1ab7 h LEU 16 N 0.00 -0.35 -1.73 1.55 5.85 -0.73 -1.48 115.31 118.42 1ab7 h LEU 16 Ca 0.00 0.01 0.23 0.00 0.84 0.00 0.00 57.88 58.97 1ab7 h LEU 16 Cb 0.35 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1ab7 h LEU 16 CO 0.00 -0.03 0.78 0.45 -0.34 0.00 0.00 178.44 179.30 1ab7 h HIS 17 N -0.85 0.00 0.23 1.25 3.86 -1.36 0.39 115.15 118.66 1ab7 h HIS 17 Ca -0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1ab7 h HIS 17 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1ab7 h HIS 17 CO 0.02 0.00 -0.11 1.96 0.86 0.00 0.00 177.93 180.67 1ab7 h GLN 18 N 0.00 -0.29 -0.85 2.45 4.20 -1.36 -0.32 115.11 118.94 1ab7 h GLN 18 Ca 0.38 0.02 0.23 0.00 0.06 0.00 0.00 58.65 59.34 1ab7 h GLN 18 Cb 1.95 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.75 1ab7 h GLN 18 CO -0.00 0.08 0.59 1.15 -0.67 0.00 0.00 178.83 179.98 1ab7 h THR 19 N -0.86 0.62 0.05 -0.54 2.02 0.81 1.16 112.91 116.18 1ab7 h THR 19 Ca -0.03 -0.05 -0.25 0.00 0.77 0.00 0.00 66.41 66.85 1ab7 h THR 19 Cb 0.51 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1ab7 h THR 19 CO 0.05 0.03 -1.06 -0.07 0.37 0.00 0.00 175.52 174.83 1ab7 h LEU 20 N 0.14 0.57 -2.03 2.58 3.38 -1.17 -1.49 115.31 117.29 1ab7 h LEU 20 Ca 0.42 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ab7 h LEU 20 Cb 1.43 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ab7 h LEU 20 CO -0.07 1.32 0.00 0.50 0.09 0.00 0.00 178.44 180.29 1ab7 h LYS 21 N 0.20 0.00 0.00 1.13 3.64 0.30 0.12 116.57 121.96 1ab7 h LYS 21 Ca -0.11 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 1ab7 h LYS 21 Cb 1.73 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.52 1ab7 h LYS 21 CO 0.19 0.00 -0.98 0.87 -2.27 0.00 0.00 179.45 177.26 1ab7 h LYS 22 N 0.00 0.00 0.46 1.90 1.79 -0.08 -1.08 116.57 119.56 1ab7 h LYS 22 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1ab7 h LYS 22 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1ab7 h LYS 22 CO 0.00 0.83 -0.22 0.93 -1.08 0.00 0.00 179.45 179.90 1ab7 h GLU 23 N -1.00 -0.60 0.00 3.15 4.39 -1.18 -2.81 114.58 116.54 1ab7 h GLU 23 Ca -0.25 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1ab7 h GLU 23 Cb 1.12 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1ab7 h GLU 23 CO -0.15 -0.29 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.28 1ab7 h LEU 24 N -0.98 0.00 -1.79 1.33 3.38 -0.98 -3.47 115.31 112.81 1ab7 h LEU 24 Ca -0.06 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.69 1ab7 h LEU 24 Cb 0.58 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.44 1ab7 h LEU 24 CO 0.10 0.05 -0.50 0.00 0.09 0.00 0.00 178.44 178.18 1ab7 n ALA 25 N -2.17 -1.33 -1.33 1.53 0.00 -0.95 -4.78 120.51 111.49 1ab7 n ALA 25 Ca -0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1ab7 n ALA 25 Cb 0.21 -1.79 0.13 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 -4.84 2.26 0.00 0.00 1.43 -0.45 -4.99 118.68 112.09 1ab7 s LEU 26 Ca 0.01 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 1ab7 s LEU 26 Cb -0.00 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1ab7 s LEU 26 CO 0.48 -2.50 0.00 -0.81 0.23 0.00 0.00 176.35 173.75 1ab7 n PRO 27 N -3.78 0.09 -0.05 1.29 -0.04 -1.26 -4.92 135.00 126.33 1ab7 n PRO 27 Ca 0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.38 1ab7 n PRO 27 Cb 0.56 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.04 0.00 0.54 4.57 -2.00 -3.20 114.58 114.53 1ab7 h GLU 28 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1ab7 h GLU 28 Cb 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1ab7 h GLU 28 CO 0.00 1.03 0.00 2.48 -1.18 0.00 0.00 179.01 181.34 1ab7 n TYR 29 N -4.54 0.40 -0.99 0.92 4.11 -1.26 -4.77 117.16 111.02 1ab7 n TYR 29 Ca -0.11 0.19 -0.40 0.00 -0.00 0.00 0.00 57.90 57.59 1ab7 n TYR 29 Cb 0.53 -0.81 -0.06 0.00 -0.00 0.00 0.00 39.34 38.99 1ab7 n TYR 29 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 1ab7 n TYR 30 N -1.90 0.98 -2.75 -3.48 9.36 -1.21 -4.82 117.16 113.34 1ab7 n TYR 30 Ca 0.00 0.64 -0.40 0.00 3.32 0.00 0.00 57.90 61.46 1ab7 n TYR 30 Cb 0.07 -1.36 -0.05 0.00 -0.63 0.00 0.00 39.34 37.37 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 2.22 3.07 -0.17 2.98 0.00 -1.26 -4.92 107.32 109.23 1ab7 s GLY 31 Ca 0.66 0.59 -0.02 0.00 0.00 0.00 0.00 44.72 45.95 1ab7 s GLY 31 CO 0.47 1.28 2.37 -1.84 0.00 0.00 0.00 173.10 175.39 1ab7 n GLU 32 N 2.00 1.64 -4.18 2.90 0.28 -1.26 -4.03 120.64 117.99 1ab7 n GLU 32 Ca -0.00 -1.03 -0.23 0.00 -0.16 0.00 0.00 57.16 55.73 1ab7 n GLU 32 Cb 0.48 -1.53 -0.07 0.00 1.43 0.00 0.00 31.44 31.75 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ab7 n ASN 33 N 1.16 0.99 -0.00 -1.84 3.02 -1.26 -4.94 115.26 112.39 1ab7 n ASN 33 Ca 0.24 -2.99 0.15 0.00 -0.03 0.00 0.00 54.58 51.96 1ab7 n ASN 33 Cb 0.60 1.01 0.82 0.00 -0.61 0.00 0.00 39.78 41.60 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ab7 n LEU 34 N 0.00 0.02 -0.06 3.41 7.99 -1.26 -2.08 117.00 125.02 1ab7 n LEU 34 Ca -0.04 0.18 -0.04 0.00 -0.01 0.00 0.00 56.01 56.11 1ab7 n LEU 34 Cb 0.56 -0.19 -0.03 0.00 -0.11 0.00 0.00 43.42 43.65 1ab7 n LEU 34 CO 0.29 0.00 0.03 -2.24 -1.51 0.00 0.00 177.39 173.97 1ab7 h ASP 35 N 0.02 0.00 0.62 -1.43 3.04 -1.95 -1.89 116.42 114.83 1ab7 h ASP 35 Ca 0.00 -0.21 -0.16 0.00 -3.24 0.00 0.00 57.03 53.42 1ab7 h ASP 35 Cb 0.19 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.47 1ab7 h ASP 35 CO 0.00 0.65 -0.74 0.00 -2.04 0.00 0.00 179.24 177.10 1ab7 h ALA 36 N -0.79 0.74 0.17 4.15 0.00 -1.80 -0.07 119.26 121.66 1ab7 h ALA 36 Ca -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1ab7 h ALA 36 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ab7 h ALA 36 CO -0.01 0.88 -0.08 1.25 0.00 0.00 0.00 179.25 181.29 1ab7 h LEU 37 N 0.06 -0.19 -1.02 0.00 5.85 -1.56 0.36 115.31 118.82 1ab7 h LEU 37 Ca -0.02 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1ab7 h LEU 37 Cb 1.31 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 1ab7 h LEU 37 CO 0.10 0.23 0.56 -0.25 -0.34 0.00 0.00 178.44 178.74 1ab7 h TRP 38 N -0.65 1.19 0.00 1.25 2.91 -1.37 0.40 115.95 119.67 1ab7 h TRP 38 Ca -0.02 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 1ab7 h TRP 38 Cb 0.48 -0.39 -0.00 0.00 -0.51 0.00 0.00 29.16 28.73 1ab7 h TRP 38 CO 0.05 0.78 -0.07 -0.44 -1.03 0.00 0.00 178.44 177.73 1ab7 h ASP 39 N 1.25 0.00 0.00 2.65 3.32 -0.79 -0.92 116.42 121.93 1ab7 h ASP 39 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1ab7 h ASP 39 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1ab7 h ASP 39 CO -0.06 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 1ab7 n ALA 40 N -2.45 0.00 -0.37 3.45 0.00 0.13 -3.41 120.51 117.86 1ab7 n ALA 40 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1ab7 n ALA 40 Cb 0.15 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.03 -0.60 -2.11 0.00 4.77 0.55 0.26 117.00 117.84 1ab7 n LEU 41 Ca 0.00 1.66 -0.16 0.00 -0.03 0.00 0.00 56.01 57.48 1ab7 n LEU 41 Cb 0.00 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 1ab7 n LEU 41 CO 0.00 -1.50 1.53 0.35 -1.33 0.00 0.00 177.39 176.44 1ab7 n THR 42 N -5.41 3.00 0.00 -5.08 -2.24 -0.35 -3.74 114.28 100.45 1ab7 n THR 42 Ca 0.10 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 59.98 1ab7 n THR 42 Cb 0.39 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 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 1.76 0.00 0.00 3.38 0.00 0.30 -4.84 105.19 105.79 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 0.00 -1.58 1.61 -0.00 0.74 -4.69 117.44 113.51 1ab7 n TRP 44 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.20 1ab7 n TRP 44 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 31.31 31.41 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 -0.96 2.78 -0.25 5.87 1.01 -0.92 -4.93 120.40 123.02 1ab7 s VAL 45 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1ab7 s VAL 45 Cb 0.00 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1ab7 s VAL 45 CO 0.00 -0.33 -0.08 -1.61 0.00 0.00 0.00 175.10 173.08 1ab7 s GLU 46 N -5.22 2.70 0.29 2.72 0.41 -1.26 -4.96 118.70 113.38 1ab7 s GLU 46 Ca 0.61 -1.06 0.03 0.00 -0.41 0.00 0.00 54.97 54.15 1ab7 s GLU 46 Cb -0.14 -2.94 -0.03 0.00 -1.78 0.00 0.00 34.13 29.24 1ab7 s GLU 46 CO 0.54 -0.43 0.45 0.71 -0.49 0.00 0.00 175.26 176.03 1ab7 s TYR 47 N 1.27 3.44 0.14 1.61 2.02 -1.26 -1.13 117.35 123.45 1ab7 s TYR 47 Ca -0.02 0.11 -0.31 0.00 -0.37 0.00 0.00 57.07 56.49 1ab7 s TYR 47 Cb -0.17 -1.74 -0.08 0.00 -0.40 0.00 0.00 41.96 39.57 1ab7 s TYR 47 CO -0.05 0.27 1.34 -1.25 -1.57 0.00 0.00 175.55 174.29 1ab7 s PRO 48 N -4.13 4.36 0.19 -1.71 0.04 -1.26 -4.77 135.00 127.72 1ab7 s PRO 48 Ca 0.37 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.47 1ab7 s PRO 48 Cb -0.09 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1ab7 s PRO 48 CO 0.32 -0.35 0.33 -1.17 0.04 0.00 0.00 177.00 176.17 1ab7 s LEU 49 N 0.68 4.31 -0.41 -3.56 2.96 0.19 -2.74 118.68 120.11 1ab7 s LEU 49 Ca 0.61 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 1ab7 s LEU 49 Cb -0.36 -2.92 0.11 0.00 0.50 0.00 0.00 46.19 43.52 1ab7 s LEU 49 CO 0.33 -0.01 0.13 -0.69 -1.32 0.00 0.00 176.35 174.79 1ab7 s VAL 50 N -1.86 2.45 -1.43 1.68 1.01 0.20 0.32 120.40 122.78 1ab7 s VAL 50 Ca 0.35 -2.68 -0.12 0.00 0.00 0.00 0.00 61.98 59.53 1ab7 s VAL 50 Cb -0.10 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.57 1ab7 s VAL 50 CO 0.29 -0.68 2.27 -0.11 0.00 0.00 0.00 175.10 176.88 1ab7 n LEU 51 N 3.86 7.21 -4.57 3.92 7.94 0.76 0.94 117.00 137.07 1ab7 n LEU 51 Ca 0.04 -4.36 -0.23 0.00 -1.11 0.00 0.00 56.01 50.36 1ab7 n LEU 51 Cb 0.39 -1.58 -0.07 0.00 0.53 0.00 0.00 43.42 42.69 1ab7 n LEU 51 CO 0.27 1.40 1.32 -0.70 -1.11 0.00 0.00 177.39 178.57 1ab7 s GLU 52 N 2.03 2.10 -0.36 1.96 2.12 -0.00 -1.44 118.70 125.11 1ab7 s GLU 52 Ca 0.49 -0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.08 1ab7 s GLU 52 Cb 0.14 -5.06 0.00 0.00 0.26 0.00 0.00 34.13 29.48 1ab7 s GLU 52 CO -0.06 -4.17 1.44 -0.46 -0.54 0.00 0.00 175.26 171.47 1ab7 s TRP 53 N 12.54 2.38 0.00 5.30 -0.11 -1.18 -1.54 118.94 136.34 1ab7 s TRP 53 Ca 0.76 0.70 0.00 0.00 1.22 0.00 0.00 56.10 58.78 1ab7 s TRP 53 Cb -0.06 -4.17 0.00 0.00 -1.50 0.00 0.00 33.47 27.75 1ab7 s TRP 53 CO 0.09 -2.10 0.00 0.54 -4.62 0.00 0.00 176.95 170.86 1ab7 n ARG 54 N 7.89 0.00 -0.07 5.86 5.12 0.04 -4.41 116.66 131.09 1ab7 n ARG 54 Ca 0.17 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 56.04 1ab7 n ARG 54 Cb 0.47 -0.13 -0.13 0.00 -1.16 0.00 0.00 32.46 31.51 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 1.17 0.00 5.56 6.02 -1.26 -4.66 117.38 124.21 1ab7 n GLN 55 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1ab7 n GLN 55 Cb 0.00 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ab7 n PHE 56 N -2.53 0.00 -0.27 1.08 7.35 -1.26 -4.65 117.46 117.18 1ab7 n PHE 56 Ca -0.23 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.34 1ab7 n PHE 56 Cb 0.94 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.68 1ab7 n PHE 56 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1ab7 h GLU 57 N 0.00 -0.21 -6.88 -4.13 4.81 -1.96 -2.88 114.58 103.34 1ab7 h GLU 57 Ca 0.00 0.01 -0.54 0.00 -0.13 0.00 0.00 59.36 58.71 1ab7 h GLU 57 Cb 0.00 0.05 0.10 0.00 0.63 0.00 0.00 28.75 29.53 1ab7 h GLU 57 CO 0.00 -0.14 0.84 0.00 -0.73 0.00 0.00 179.01 178.98 1ab7 n GLN 58 N -5.33 2.73 0.00 1.92 10.64 -1.26 -1.13 117.38 124.95 1ab7 n GLN 58 Ca -0.01 0.96 0.00 0.00 -1.83 0.00 0.00 57.00 56.13 1ab7 n GLN 58 Cb 0.31 -2.73 0.00 0.00 -0.86 0.00 0.00 30.24 26.96 1ab7 n GLN 58 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ab7 n SER 59 N 1.28 0.00 0.13 2.61 2.88 -1.26 -4.41 113.62 114.85 1ab7 n SER 59 Ca 0.05 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.63 1ab7 n SER 59 Cb 0.38 0.00 0.03 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 0.00 0.00 0.00 -1.46 3.11 -1.15 -3.34 116.57 113.73 1ab7 h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ab7 h LYS 60 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1ab7 h LYS 60 CO 0.00 0.36 -0.00 0.37 -2.81 0.00 0.00 179.45 177.37 1ab7 h GLN 61 N 0.00 0.00 -1.25 1.90 4.15 -1.35 -3.32 115.11 115.24 1ab7 h GLN 61 Ca -0.03 0.00 0.36 0.00 0.77 0.00 0.00 58.65 59.75 1ab7 h GLN 61 Cb 1.33 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.97 1ab7 h GLN 61 CO 0.05 0.00 1.12 1.47 -1.93 0.00 0.00 178.83 179.54 1ab7 n LEU 62 N -2.34 0.00 0.00 -2.39 -0.00 -1.26 -4.14 117.00 106.86 1ab7 n LEU 62 Ca -0.00 0.73 0.00 0.00 -0.00 0.00 0.00 56.01 56.74 1ab7 n LEU 62 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 1ab7 n LEU 62 CO 0.00 -0.73 0.00 1.07 -0.00 0.00 0.00 177.39 177.73 1ab7 n THR 63 N -3.25 0.00 -3.11 1.47 5.66 -1.25 -5.04 114.28 108.76 1ab7 n THR 63 Ca 0.28 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.30 1ab7 n THR 63 Cb 1.49 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 70.27 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 2.70 0.61 -0.10 1.09 -1.05 -1.26 -4.90 118.70 115.79 1ab7 s GLU 64 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 1ab7 s GLU 64 Cb 0.00 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1ab7 s GLU 64 CO 0.00 -0.93 0.00 -1.71 0.95 0.00 0.00 175.26 173.57 1ab7 n ASN 65 N 4.53 -3.35 0.00 0.83 5.15 -1.26 -4.96 115.26 116.19 1ab7 n ASN 65 Ca 0.09 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 1ab7 n ASN 65 Cb 0.58 -0.94 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 1ab7 n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ab7 n GLY 66 N -2.57 -0.94 0.30 8.20 0.00 -1.26 -0.69 105.19 108.24 1ab7 n GLY 66 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1ab7 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab7 h ALA 67 N -2.00 2.12 -0.31 4.61 0.00 -1.87 0.11 119.26 121.92 1ab7 h ALA 67 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ab7 h ALA 67 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ab7 h ALA 67 CO 0.00 -0.21 -0.11 1.49 0.00 0.00 0.00 179.25 180.41 1ab7 h GLU 68 N 0.00 0.53 -0.01 0.00 4.81 -1.91 0.88 114.58 118.89 1ab7 h GLU 68 Ca 0.08 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1ab7 h GLU 68 Cb 0.33 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1ab7 h GLU 68 CO -0.00 0.64 -0.12 0.77 -0.73 0.00 0.00 179.01 179.57 1ab7 h SER 69 N 0.49 0.13 -0.04 1.04 0.02 0.15 0.20 113.55 115.54 1ab7 h SER 69 Ca 0.09 -0.73 0.01 0.00 -0.84 0.00 0.00 61.79 60.33 1ab7 h SER 69 Cb 0.49 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1ab7 h SER 69 CO 0.03 0.84 0.05 0.58 -1.14 0.00 0.00 176.83 177.18 1ab7 h VAL 70 N -0.57 0.49 0.00 2.27 2.07 -1.20 0.43 116.25 119.74 1ab7 h VAL 70 Ca -0.01 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.31 1ab7 h VAL 70 Cb 0.84 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1ab7 h VAL 70 CO 0.03 0.00 -0.99 -0.07 0.02 0.00 0.00 177.57 176.56 1ab7 h LEU 71 N 0.00 0.00 -1.21 2.57 -0.00 -0.47 0.14 115.31 116.34 1ab7 h LEU 71 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.84 1ab7 h LEU 71 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1ab7 h LEU 71 CO -0.00 0.87 -0.14 1.56 -0.00 0.00 0.00 178.44 180.73 1ab7 h GLN 72 N 0.00 0.38 0.00 1.13 4.20 0.31 0.86 115.11 121.98 1ab7 h GLN 72 Ca -0.05 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1ab7 h GLN 72 Cb 1.70 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 1ab7 h GLN 72 CO 0.11 0.52 -0.37 0.28 -0.67 0.00 0.00 178.83 178.70 1ab7 h VAL 73 N 0.35 1.01 -0.06 -0.54 2.07 -1.19 -0.14 116.25 117.75 1ab7 h VAL 73 Ca 0.07 -1.88 0.04 0.00 0.82 0.00 0.00 66.70 65.75 1ab7 h VAL 73 Cb 0.46 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 32.19 1ab7 h VAL 73 CO 0.03 0.34 -0.31 -0.26 0.02 0.00 0.00 177.57 177.39 1ab7 h PHE 74 N -1.00 -0.85 -0.73 1.57 -1.00 -0.71 0.59 116.94 114.81 1ab7 h PHE 74 Ca -0.09 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 1ab7 h PHE 74 Cb 0.81 0.39 -0.04 0.00 3.61 0.00 0.00 35.95 40.72 1ab7 h PHE 74 CO 0.12 -0.40 0.44 0.00 -1.61 0.00 0.00 178.31 176.86 1ab7 h ARG 75 N -0.42 0.99 0.00 1.51 3.08 -0.97 0.95 114.38 119.52 1ab7 h ARG 75 Ca 0.08 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ab7 h ARG 75 Cb 0.54 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1ab7 h ARG 75 CO -0.30 0.71 0.00 0.93 -1.07 0.00 0.00 179.97 180.23 1ab7 h GLU 76 N 1.00 0.00 0.00 0.04 5.08 0.96 0.12 114.58 121.77 1ab7 h GLU 76 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1ab7 h GLU 76 Cb -0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1ab7 h GLU 76 CO -0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 179.01 177.86 1ab7 h ALA 77 N 2.00 0.01 0.00 3.43 0.00 0.25 -0.91 119.26 124.04 1ab7 h ALA 77 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ab7 h ALA 77 Cb 0.06 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ab7 h ALA 77 CO 0.00 0.08 0.00 0.36 0.00 0.00 0.00 179.25 179.69 1ab7 n LYS 78 N -4.72 0.12 -0.01 0.00 2.85 -0.51 0.10 118.16 115.99 1ab7 n LYS 78 Ca -0.04 0.53 -0.01 0.00 -1.05 0.00 0.00 58.31 57.74 1ab7 n LYS 78 Cb 0.15 -1.82 -0.00 0.00 -0.65 0.00 0.00 35.03 32.70 1ab7 n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ab7 n ALA 79 N -1.71 0.09 0.00 0.58 0.00 0.37 -4.59 120.51 115.26 1ab7 n ALA 79 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 1ab7 n ALA 79 Cb 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.18 -0.56 0.00 0.00 4.39 -1.15 -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 0.10 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1ab7 h GLU 80 CO 0.00 -0.37 0.00 0.41 -1.16 0.00 0.00 179.01 177.89 1ab7 n GLY 81 N -1.44 0.22 3.15 -3.84 0.00 -0.82 -5.08 105.19 97.37 1ab7 n GLY 81 Ca -0.06 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.59 -4.08 -2.87 4.61 0.00 0.28 -4.84 120.51 112.03 1ab7 n ALA 82 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 1ab7 n ALA 82 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 1ab7 n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ab7 n ASP 83 N 2.84 5.64 -4.95 0.00 -0.08 -1.26 -3.68 116.55 115.06 1ab7 n ASP 83 Ca 0.04 -3.65 -0.23 0.00 -1.51 0.00 0.00 54.79 49.44 1ab7 n ASP 83 Cb 0.51 -0.85 -0.02 0.00 2.34 0.00 0.00 41.12 43.11 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1ab7 s ILE 84 N -4.14 5.17 -0.58 5.18 1.01 -1.26 -0.64 121.20 125.94 1ab7 s ILE 84 Ca 0.43 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 60.40 1ab7 s ILE 84 Cb 0.22 -3.86 0.15 0.00 0.01 0.00 0.00 42.46 38.98 1ab7 s ILE 84 CO -0.11 -0.46 0.37 -0.89 0.00 0.00 0.00 174.94 173.85 1ab7 s THR 85 N -2.18 3.27 -0.68 2.92 2.01 0.15 -4.71 115.64 116.43 1ab7 s THR 85 Ca 0.37 -3.08 -0.27 0.00 0.31 0.00 0.00 61.69 59.03 1ab7 s THR 85 Cb -0.09 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1ab7 s THR 85 CO 0.33 -0.84 1.59 -0.63 -0.69 0.00 0.00 174.62 174.38 1ab7 s ILE 86 N -0.13 3.53 -0.07 1.82 1.09 -1.26 -0.17 121.20 126.01 1ab7 s ILE 86 Ca 0.17 0.27 -0.24 0.00 -1.10 0.00 0.00 60.65 59.75 1ab7 s ILE 86 Cb -0.22 -4.40 -0.04 0.00 -1.06 0.00 0.00 42.46 36.74 1ab7 s ILE 86 CO -0.02 -1.36 0.72 -0.63 -0.10 0.00 0.00 174.94 173.55 1ab7 s ILE 87 N 7.52 5.03 -0.39 2.92 1.01 -0.52 -4.98 121.20 131.79 1ab7 s ILE 87 Ca 0.52 1.48 0.10 0.00 0.00 0.00 0.00 60.65 62.76 1ab7 s ILE 87 Cb -0.10 -4.06 0.32 0.00 0.01 0.00 0.00 42.46 38.63 1ab7 s ILE 87 CO 0.17 0.24 0.75 0.18 0.00 0.00 0.00 174.94 176.28 1ab7 n LEU 88 N 3.84 0.10 0.00 2.97 4.77 -1.26 -3.08 117.00 124.33 1ab7 n LEU 88 Ca -0.01 -4.69 0.00 0.00 -0.03 0.00 0.00 56.01 51.28 1ab7 n LEU 88 Cb 0.51 0.74 0.00 0.00 -2.33 0.00 0.00 43.42 42.34 1ab7 n LEU 88 CO 0.47 2.20 0.08 -1.20 -1.33 0.00 0.00 177.39 177.62