#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 0.70 0.23 1.97 2.20 -1.26 -0.01 119.74 123.57 1ab7 s LYS 2 Ca 0.00 -1.09 -0.10 0.00 -0.36 0.00 0.00 55.97 54.42 1ab7 s LYS 2 Cb 0.00 -1.94 -0.07 0.00 -1.51 0.00 0.00 37.83 34.31 1ab7 s LYS 2 CO 0.00 -1.00 0.55 0.00 -0.36 0.00 0.00 175.35 174.54 1ab7 s ALA 3 N 1.58 3.56 -0.04 3.13 0.00 0.24 -4.84 121.76 125.39 1ab7 s ALA 3 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 1ab7 s ALA 3 Cb -0.18 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.53 1ab7 s ALA 3 CO -0.24 0.50 0.09 0.08 0.00 0.00 0.00 175.76 176.18 1ab7 s VAL 4 N -1.81 -0.07 -0.19 0.00 1.01 -1.26 -0.40 120.40 117.67 1ab7 s VAL 4 Ca 0.47 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 1ab7 s VAL 4 Cb -0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1ab7 s VAL 4 CO 0.21 0.10 0.09 -0.63 0.00 0.00 0.00 175.10 174.86 1ab7 s ILE 5 N 1.29 4.99 -0.26 2.22 -1.09 -0.37 -4.90 121.20 123.09 1ab7 s ILE 5 Ca -0.07 0.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.41 1ab7 s ILE 5 Cb -0.12 -3.27 0.06 0.00 -1.58 0.00 0.00 42.46 37.55 1ab7 s ILE 5 CO -0.04 0.44 -0.07 0.20 -1.23 0.00 0.00 174.94 174.24 1ab7 s ASN 6 N 0.45 4.24 0.00 3.58 0.01 -1.26 0.44 114.94 122.39 1ab7 s ASN 6 Ca 0.05 -1.37 0.22 0.00 -0.71 0.00 0.00 52.86 51.05 1ab7 s ASN 6 Cb -0.12 -1.40 1.06 0.00 0.41 0.00 0.00 41.25 41.20 1ab7 s ASN 6 CO -0.00 -0.22 1.70 0.61 -1.51 0.00 0.00 177.10 177.68 1ab7 n GLY 7 N 4.52 -1.07 0.04 0.66 0.00 -1.15 -1.23 105.19 106.96 1ab7 n GLY 7 Ca -0.12 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.34 0.18 -0.00 1.61 4.07 -1.26 -4.03 120.64 119.86 1ab7 n GLU 8 Ca 0.09 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 1ab7 n GLU 8 Cb 0.19 -1.63 -0.00 0.00 -0.06 0.00 0.00 31.44 29.95 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 -1.89 0.30 -2.35 5.31 7.27 -0.96 -4.91 117.38 120.15 1ab7 n GLN 9 Ca 0.05 -0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.73 1ab7 n GLN 9 Cb 0.40 -1.01 -0.03 0.00 2.41 0.00 0.00 30.24 32.01 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 -2.01 3.63 0.17 1.69 -1.09 -0.37 -4.82 121.20 118.40 1ab7 s ILE 10 Ca -0.00 0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.28 1ab7 s ILE 10 Cb 0.00 -4.57 0.06 0.00 -1.58 0.00 0.00 42.46 36.37 1ab7 s ILE 10 CO 0.01 -1.51 1.82 0.03 -1.23 0.00 0.00 174.94 174.06 1ab7 h ARG 11 N 11.43 0.61 -3.83 2.79 3.08 -1.90 -3.42 114.38 123.14 1ab7 h ARG 11 Ca -0.12 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.69 1ab7 h ARG 11 Cb 1.06 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.91 1ab7 h ARG 11 CO 1.29 0.40 -0.08 -1.54 -1.07 0.00 0.00 179.97 178.97 1ab7 s SER 12 N -5.61 0.61 0.66 7.04 1.04 -1.26 -4.82 113.70 111.36 1ab7 s SER 12 Ca -0.13 -1.35 0.30 0.00 0.48 0.00 0.00 55.95 55.25 1ab7 s SER 12 Cb 0.12 0.70 1.64 0.00 0.10 0.00 0.00 66.02 68.58 1ab7 s SER 12 CO 0.74 -1.37 1.93 -0.29 0.98 0.00 0.00 173.24 175.23 1ab7 h ILE 13 N 2.10 0.03 -0.43 -1.02 6.09 -1.89 0.41 117.51 122.80 1ab7 h ILE 13 Ca -0.29 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.21 1ab7 h ILE 13 Cb 1.24 0.67 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 1ab7 h ILE 13 CO 0.39 0.00 0.29 0.28 -3.07 0.00 0.00 178.15 176.03 1ab7 h SER 14 N 0.00 0.49 0.92 2.19 0.02 -1.95 -1.06 113.55 114.16 1ab7 h SER 14 Ca 0.01 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1ab7 h SER 14 Cb 0.68 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1ab7 h SER 14 CO -0.00 0.36 -0.32 0.44 -1.14 0.00 0.00 176.83 176.17 1ab7 h ASP 15 N 0.59 0.00 -0.11 3.07 5.19 -1.29 -3.00 116.42 120.87 1ab7 h ASP 15 Ca 0.16 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1ab7 h ASP 15 Cb -0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1ab7 h ASP 15 CO -0.04 0.32 0.06 0.25 -3.12 0.00 0.00 179.24 176.71 1ab7 h LEU 16 N 0.00 0.14 -2.18 1.55 5.85 -1.03 0.67 115.31 120.31 1ab7 h LEU 16 Ca -0.00 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1ab7 h LEU 16 Cb 0.87 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1ab7 h LEU 16 CO 0.04 0.20 0.13 0.45 -0.34 0.00 0.00 178.44 178.92 1ab7 h HIS 17 N 0.07 0.00 0.00 1.25 3.86 -1.17 0.16 115.15 119.31 1ab7 h HIS 17 Ca 0.04 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 1ab7 h HIS 17 Cb 0.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1ab7 h HIS 17 CO -0.04 0.00 -0.78 1.96 0.86 0.00 0.00 177.93 179.93 1ab7 h GLN 18 N 0.00 0.00 -0.02 2.45 4.20 -1.14 0.08 115.11 120.69 1ab7 h GLN 18 Ca 0.07 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.55 1ab7 h GLN 18 Cb 0.33 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.12 1ab7 h GLN 18 CO -0.00 0.70 -0.94 1.15 -0.67 0.00 0.00 178.83 179.08 1ab7 h THR 19 N 0.00 1.36 0.12 -0.54 2.02 0.15 0.44 112.91 116.46 1ab7 h THR 19 Ca -0.02 -2.34 -0.28 0.00 0.77 0.00 0.00 66.41 64.54 1ab7 h THR 19 Cb 1.57 2.35 -0.00 0.00 -1.74 0.00 0.00 68.15 70.33 1ab7 h THR 19 CO 0.09 0.71 -1.32 -0.07 0.37 0.00 0.00 175.52 175.30 1ab7 h LEU 20 N 0.29 0.39 -0.72 2.58 3.38 -1.32 -1.24 115.31 118.68 1ab7 h LEU 20 Ca -0.08 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1ab7 h LEU 20 Cb 1.57 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1ab7 h LEU 20 CO 0.17 1.36 -0.14 0.50 0.09 0.00 0.00 178.44 180.42 1ab7 h LYS 21 N 0.07 0.00 0.12 1.13 3.64 -0.96 0.12 116.57 120.69 1ab7 h LYS 21 Ca -0.16 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.93 1ab7 h LYS 21 Cb 1.98 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.80 1ab7 h LYS 21 CO 0.19 0.14 -1.46 -0.22 -2.27 0.00 0.00 179.45 175.83 1ab7 h LYS 22 N 0.00 0.26 0.00 1.90 3.64 -0.06 -1.98 116.57 120.33 1ab7 h LYS 22 Ca -0.00 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1ab7 h LYS 22 Cb 0.85 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1ab7 h LYS 22 CO 0.02 1.21 -0.04 0.93 -2.27 0.00 0.00 179.45 179.30 1ab7 h GLU 23 N -0.26 0.01 0.00 1.90 4.39 -1.23 -3.28 114.58 116.11 1ab7 h GLU 23 Ca -0.31 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 1ab7 h GLU 23 Cb 1.80 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.45 1ab7 h GLU 23 CO 0.07 1.01 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.57 1ab7 h LEU 24 N -0.98 0.00 -1.94 1.33 3.38 -0.95 -3.47 115.31 112.69 1ab7 h LEU 24 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1ab7 h LEU 24 Cb 1.03 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.84 1ab7 h LEU 24 CO 0.00 0.29 -0.31 0.00 0.09 0.00 0.00 178.44 178.51 1ab7 n ALA 25 N -2.32 -0.85 -2.01 1.53 0.00 -0.80 -4.73 120.51 111.34 1ab7 n ALA 25 Ca -0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 1ab7 n ALA 25 Cb 0.41 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.76 3.14 0.00 0.00 1.43 -0.89 -5.01 118.68 113.59 1ab7 s LEU 26 Ca 0.02 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1ab7 s LEU 26 Cb -0.00 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1ab7 s LEU 26 CO 0.29 -1.11 0.00 -0.81 0.23 0.00 0.00 176.35 174.95 1ab7 n PRO 27 N -2.73 -0.05 -0.02 1.29 -0.04 -1.26 -4.91 135.00 127.29 1ab7 n PRO 27 Ca 0.05 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 1ab7 n PRO 27 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.08 0.00 0.54 4.57 -2.00 -3.22 114.58 114.39 1ab7 h GLU 28 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1ab7 h GLU 28 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1ab7 h GLU 28 CO 0.00 0.40 0.17 0.10 -1.18 0.00 0.00 179.01 178.50 1ab7 h TYR 29 N -0.96 0.00 -1.19 0.92 -0.00 -2.06 -3.43 116.97 110.25 1ab7 h TYR 29 Ca -0.01 0.00 -0.63 0.00 0.00 0.00 0.00 58.73 58.09 1ab7 h TYR 29 Cb 0.51 0.00 0.12 0.00 0.00 0.00 0.00 36.73 37.37 1ab7 h TYR 29 CO 0.12 0.00 -0.65 0.98 -0.00 0.00 0.00 178.16 178.61 1ab7 n TYR 30 N -2.37 -1.00 -4.30 0.10 9.36 -1.22 -4.96 117.16 112.77 1ab7 n TYR 30 Ca -0.01 0.82 -0.25 0.00 3.32 0.00 0.00 57.90 61.78 1ab7 n TYR 30 Cb 0.20 -1.83 -0.12 0.00 -0.63 0.00 0.00 39.34 36.95 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 -0.97 1.30 -0.10 2.98 0.00 -1.26 -5.01 107.32 104.26 1ab7 s GLY 31 Ca 0.60 -1.29 0.05 0.00 0.00 0.00 0.00 44.72 44.08 1ab7 s GLY 31 CO 0.56 -1.29 1.01 -2.21 0.00 0.00 0.00 173.10 171.17 1ab7 n GLU 32 N 1.02 2.32 -2.42 2.90 4.07 -1.26 -2.73 120.64 124.55 1ab7 n GLU 32 Ca -0.19 -1.16 -0.26 0.00 -0.06 0.00 0.00 57.16 55.49 1ab7 n GLU 32 Cb 0.54 -1.74 0.03 0.00 -0.06 0.00 0.00 31.44 30.21 1ab7 n GLU 32 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1ab7 s ASN 33 N -0.23 5.52 0.25 4.31 0.01 -1.26 -4.58 114.94 118.95 1ab7 s ASN 33 Ca 0.20 0.64 0.23 0.00 -0.71 0.00 0.00 52.86 53.22 1ab7 s ASN 33 Cb 0.16 -1.61 0.97 0.00 0.41 0.00 0.00 41.25 41.17 1ab7 s ASN 33 CO 0.06 -1.10 1.69 0.18 -1.51 0.00 0.00 177.10 176.42 1ab7 n LEU 34 N -2.58 0.62 -0.07 0.60 4.77 -1.26 -1.73 117.00 117.35 1ab7 n LEU 34 Ca 0.05 0.66 -0.06 0.00 -0.03 0.00 0.00 56.01 56.63 1ab7 n LEU 34 Cb 0.58 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1ab7 n LEU 34 CO 0.52 -0.57 -0.09 -2.24 -1.33 0.00 0.00 177.39 173.68 1ab7 h ASP 35 N 0.00 0.00 -0.02 -1.43 2.03 -1.93 -3.23 116.42 111.85 1ab7 h ASP 35 Ca 0.00 -0.24 -0.01 0.00 -0.73 0.00 0.00 57.03 56.05 1ab7 h ASP 35 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1ab7 h ASP 35 CO 0.00 0.78 -0.05 0.00 -1.03 0.00 0.00 179.24 178.94 1ab7 h ALA 36 N -0.76 0.03 0.41 4.15 0.00 -1.81 0.20 119.26 121.47 1ab7 h ALA 36 Ca -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ab7 h ALA 36 Cb 0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ab7 h ALA 36 CO -0.03 -0.13 -0.35 1.25 0.00 0.00 0.00 179.25 179.99 1ab7 h LEU 37 N -0.54 -0.94 -0.54 0.00 5.85 -1.13 0.11 115.31 118.11 1ab7 h LEU 37 Ca -0.00 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1ab7 h LEU 37 Cb 0.67 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1ab7 h LEU 37 CO 0.01 -0.51 0.30 -0.25 -0.34 0.00 0.00 178.44 177.65 1ab7 h TRP 38 N -0.77 0.55 -1.12 1.25 2.91 -1.66 0.45 115.95 117.56 1ab7 h TRP 38 Ca -0.04 0.02 0.31 0.00 1.13 0.00 0.00 58.89 60.32 1ab7 h TRP 38 Cb 0.68 -0.17 -0.08 0.00 -0.51 0.00 0.00 29.16 29.08 1ab7 h TRP 38 CO -0.18 0.28 0.75 -0.44 -1.03 0.00 0.00 178.44 177.83 1ab7 h ASP 39 N 0.58 0.27 0.00 2.65 5.19 -0.09 -1.21 116.42 123.79 1ab7 h ASP 39 Ca 0.23 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1ab7 h ASP 39 Cb 0.10 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1ab7 h ASP 39 CO -0.14 0.03 -0.04 0.00 -3.12 0.00 0.00 179.24 175.97 1ab7 h ALA 40 N 1.54 0.00 -0.72 3.45 0.00 0.23 -3.38 119.26 120.39 1ab7 h ALA 40 Ca 0.61 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.51 1ab7 h ALA 40 Cb 1.88 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.63 1ab7 h ALA 40 CO -0.20 0.04 -0.42 1.28 0.00 0.00 0.00 179.25 179.94 1ab7 n LEU 41 N -3.04 -0.76 -3.73 0.00 4.77 0.33 0.11 117.00 114.69 1ab7 n LEU 41 Ca -0.01 1.30 -0.42 0.00 -0.03 0.00 0.00 56.01 56.85 1ab7 n LEU 41 Cb 0.02 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1ab7 n LEU 41 CO 0.01 -1.05 2.61 1.07 -1.33 0.00 0.00 177.39 178.70 1ab7 n THR 42 N -4.86 3.64 0.00 -5.08 5.66 -0.50 -3.17 114.28 109.97 1ab7 n THR 42 Ca 0.01 -3.21 0.00 0.00 -3.05 0.00 0.00 64.05 57.81 1ab7 n THR 42 Cb 0.19 -2.57 0.00 0.00 -1.55 0.00 0.00 70.33 66.40 1ab7 n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ab7 n GLY 43 N 3.86 0.86 0.00 1.09 0.00 -0.05 -4.86 105.19 106.10 1ab7 n GLY 43 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.14 1.61 -0.00 0.31 -4.82 117.44 114.69 1ab7 n TRP 44 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.52 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 0.28 -0.00 0.00 0.00 177.69 177.97 1ab7 h VAL 45 N 0.00 1.02 -2.22 5.87 2.07 -1.46 -3.47 116.25 118.06 1ab7 h VAL 45 Ca 0.00 -2.19 0.03 0.00 0.82 0.00 0.00 66.70 65.36 1ab7 h VAL 45 Cb 0.00 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1ab7 h VAL 45 CO 0.00 0.53 -0.61 1.21 0.02 0.00 0.00 177.57 178.72 1ab7 n GLU 46 N -3.36 -2.40 -4.06 1.57 0.00 -1.26 -4.73 120.64 106.40 1ab7 n GLU 46 Ca 0.01 1.88 -0.10 0.00 0.00 0.00 0.00 57.16 58.95 1ab7 n GLU 46 Cb 0.69 -2.39 -0.09 0.00 0.00 0.00 0.00 31.44 29.65 1ab7 n GLU 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1ab7 s TYR 47 N -4.70 0.65 0.50 4.31 2.02 -1.26 -4.28 117.35 114.59 1ab7 s TYR 47 Ca 0.00 -1.01 -0.21 0.00 -0.37 0.00 0.00 57.07 55.47 1ab7 s TYR 47 Cb 0.00 -0.27 -0.06 0.00 -0.40 0.00 0.00 41.96 41.22 1ab7 s TYR 47 CO 0.00 -0.63 1.17 -1.25 -1.57 0.00 0.00 175.55 173.28 1ab7 s PRO 48 N -4.01 3.53 0.27 -1.71 0.04 -1.26 -4.84 135.00 127.01 1ab7 s PRO 48 Ca 0.21 1.77 0.11 0.00 0.04 0.00 0.00 61.00 63.13 1ab7 s PRO 48 Cb 0.05 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1ab7 s PRO 48 CO 0.01 -0.74 -0.10 -1.17 0.04 0.00 0.00 177.00 175.05 1ab7 s LEU 49 N -3.37 2.90 -0.41 -3.56 2.96 -0.28 -1.33 118.68 115.60 1ab7 s LEU 49 Ca 0.68 -0.82 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1ab7 s LEU 49 Cb -0.28 -1.43 0.11 0.00 0.50 0.00 0.00 46.19 45.09 1ab7 s LEU 49 CO 0.33 0.02 0.14 -0.69 -1.32 0.00 0.00 176.35 174.83 1ab7 s VAL 50 N -2.38 2.22 -1.44 1.68 1.01 0.99 0.40 120.40 122.88 1ab7 s VAL 50 Ca 0.30 -2.63 -0.09 0.00 0.00 0.00 0.00 61.98 59.57 1ab7 s VAL 50 Cb -0.06 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.76 1ab7 s VAL 50 CO 0.17 -0.69 2.49 -0.11 0.00 0.00 0.00 175.10 176.96 1ab7 n LEU 51 N 3.86 7.92 -4.57 3.92 7.94 0.12 0.83 117.00 137.02 1ab7 n LEU 51 Ca 0.04 -4.57 -0.18 0.00 -1.11 0.00 0.00 56.01 50.20 1ab7 n LEU 51 Cb 0.38 -1.49 -0.08 0.00 0.53 0.00 0.00 43.42 42.76 1ab7 n LEU 51 CO 0.25 1.83 1.22 -0.70 -1.11 0.00 0.00 177.39 178.88 1ab7 s GLU 52 N 0.85 1.66 0.33 1.96 2.12 0.46 -1.34 118.70 124.75 1ab7 s GLU 52 Ca 0.56 -0.21 -0.27 0.00 0.36 0.00 0.00 54.97 55.42 1ab7 s GLU 52 Cb 0.16 -4.96 -0.09 0.00 0.26 0.00 0.00 34.13 29.50 1ab7 s GLU 52 CO -0.07 -4.69 1.04 -0.46 -0.54 0.00 0.00 175.26 170.54 1ab7 s TRP 53 N 14.63 3.50 0.04 5.30 -0.11 -0.54 -1.23 118.94 140.53 1ab7 s TRP 53 Ca 0.82 1.71 0.06 0.00 1.22 0.00 0.00 56.10 59.91 1ab7 s TRP 53 Cb -0.07 -3.13 -0.02 0.00 -1.50 0.00 0.00 33.47 28.74 1ab7 s TRP 53 CO 0.12 -0.37 -0.18 1.03 -4.62 0.00 0.00 176.95 172.93 1ab7 s ARG 54 N -1.96 1.16 -1.56 5.86 1.81 0.17 -4.59 118.95 119.84 1ab7 s ARG 54 Ca 0.51 -0.86 -0.02 0.00 -1.72 0.00 0.00 55.73 53.63 1ab7 s ARG 54 Cb -0.25 -1.23 0.02 0.00 -0.45 0.00 0.00 34.95 33.04 1ab7 s ARG 54 CO 0.32 0.31 0.14 1.04 -0.68 0.00 0.00 175.30 176.43 1ab7 n GLN 55 N 1.83 -1.40 -0.15 3.54 1.13 -1.26 -2.94 117.38 118.12 1ab7 n GLN 55 Ca -0.18 0.16 0.28 0.00 -1.94 0.00 0.00 57.00 55.32 1ab7 n GLN 55 Cb 0.54 -3.88 0.61 0.00 0.11 0.00 0.00 30.24 27.62 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 -1.72 0.00 0.00 1.08 3.57 -1.92 -2.93 116.94 115.02 1ab7 h PHE 56 Ca -0.65 0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.85 1ab7 h PHE 56 Cb 1.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1ab7 h PHE 56 CO 0.53 0.00 0.00 0.39 -2.23 0.00 0.00 178.31 177.00 1ab7 n GLU 57 N -3.55 0.00 -0.87 1.11 -0.58 -1.26 -3.90 120.64 111.59 1ab7 n GLU 57 Ca 0.20 0.05 -0.34 0.00 -0.42 0.00 0.00 57.16 56.64 1ab7 n GLU 57 Cb 1.22 -0.62 0.09 0.00 -0.57 0.00 0.00 31.44 31.56 1ab7 n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ab7 n GLN 58 N -0.17 -0.25 0.00 3.49 0.00 -1.11 -1.93 117.38 117.41 1ab7 n GLN 58 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 57.00 56.95 1ab7 n GLN 58 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.75 1ab7 n GLN 58 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ab7 n SER 59 N 0.68 0.00 0.09 2.61 7.64 -1.26 -4.60 113.62 118.78 1ab7 n SER 59 Ca 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.90 1ab7 n SER 59 Cb 0.56 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.72 1ab7 n SER 59 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1ab7 h LYS 60 N 0.00 0.00 0.00 1.43 3.64 -1.50 -3.34 116.57 116.80 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 0.59 -0.01 0.37 -2.27 0.00 0.00 179.45 178.13 1ab7 h GLN 61 N 0.00 0.00 -1.15 1.90 4.15 -1.81 -3.32 115.11 114.87 1ab7 h GLN 61 Ca -0.05 0.00 0.33 0.00 0.77 0.00 0.00 58.65 59.71 1ab7 h GLN 61 Cb 1.55 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.19 1ab7 h GLN 61 CO 0.08 0.00 1.13 1.47 -1.93 0.00 0.00 178.83 179.58 1ab7 n LEU 62 N -2.63 0.00 0.00 -2.39 -0.00 -1.26 -4.16 117.00 106.56 1ab7 n LEU 62 Ca -0.00 0.72 0.00 0.00 -0.00 0.00 0.00 56.01 56.73 1ab7 n LEU 62 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 1ab7 n LEU 62 CO 0.00 -0.72 0.00 1.07 -0.00 0.00 0.00 177.39 177.74 1ab7 n THR 63 N -3.20 0.00 -3.05 1.47 5.66 -1.25 -4.95 114.28 108.96 1ab7 n THR 63 Ca 0.26 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.26 1ab7 n THR 63 Cb 1.47 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 70.25 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 4.25 0.82 0.00 1.09 1.03 -1.26 -4.89 118.70 119.74 1ab7 s GLU 64 Ca 0.00 -0.44 0.00 0.00 0.03 0.00 0.00 54.97 54.56 1ab7 s GLU 64 Cb 0.00 0.05 0.00 0.00 -0.80 0.00 0.00 34.13 33.38 1ab7 s GLU 64 CO 0.00 -1.13 0.00 -1.71 -1.33 0.00 0.00 175.26 171.09 1ab7 n ASN 65 N 3.95 -1.93 0.08 0.83 5.15 -1.26 -4.93 115.26 117.15 1ab7 n ASN 65 Ca 0.12 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.07 1ab7 n ASN 65 Cb 0.57 -0.57 -0.02 0.00 -0.53 0.00 0.00 39.78 39.24 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 -0.29 0.84 8.20 0.00 -1.90 0.14 103.07 110.05 1ab7 h GLY 66 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.49 1ab7 h GLY 66 CO 0.00 -0.11 0.55 0.00 0.00 0.00 0.00 176.54 176.98 1ab7 h ALA 67 N -1.87 1.14 -0.06 3.60 0.00 -1.86 0.29 119.26 120.51 1ab7 h ALA 67 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ab7 h ALA 67 Cb 0.16 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ab7 h ALA 67 CO 0.03 0.37 0.05 1.49 0.00 0.00 0.00 179.25 181.19 1ab7 h GLU 68 N 1.05 0.00 0.03 0.00 4.81 -1.91 0.17 114.58 118.73 1ab7 h GLU 68 Ca 0.35 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1ab7 h GLU 68 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1ab7 h GLU 68 CO -0.13 0.00 -0.01 0.66 -0.73 0.00 0.00 179.01 178.80 1ab7 h SER 69 N 0.00 -0.03 -0.12 1.04 4.64 0.14 0.27 113.55 119.49 1ab7 h SER 69 Ca 0.03 -0.45 0.03 0.00 -0.47 0.00 0.00 61.79 60.93 1ab7 h SER 69 Cb 0.13 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1ab7 h SER 69 CO -0.00 0.68 0.24 0.58 -0.87 0.00 0.00 176.83 177.45 1ab7 h VAL 70 N -0.99 0.22 0.12 0.95 2.07 -1.14 0.55 116.25 118.04 1ab7 h VAL 70 Ca -0.00 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.23 1ab7 h VAL 70 Cb 0.47 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1ab7 h VAL 70 CO 0.01 0.00 -1.36 -0.07 0.02 0.00 0.00 177.57 176.17 1ab7 h LEU 71 N 0.00 0.40 -1.66 2.57 -0.00 -0.88 0.67 115.31 116.42 1ab7 h LEU 71 Ca 0.05 -0.48 -0.00 0.00 -0.00 0.00 0.00 57.88 57.46 1ab7 h LEU 71 Cb 0.53 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 1ab7 h LEU 71 CO -0.00 1.38 0.19 1.56 -0.00 0.00 0.00 178.44 181.57 1ab7 h GLN 72 N 0.07 0.41 0.00 1.13 4.20 0.23 0.79 115.11 121.94 1ab7 h GLN 72 Ca -0.18 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1ab7 h GLN 72 Cb 1.99 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.68 1ab7 h GLN 72 CO 0.19 0.29 -0.11 0.28 -0.67 0.00 0.00 178.83 178.81 1ab7 h VAL 73 N 0.42 0.05 -0.53 -0.54 2.07 -1.22 -0.77 116.25 115.74 1ab7 h VAL 73 Ca 0.11 -1.04 0.10 0.00 0.82 0.00 0.00 66.70 66.70 1ab7 h VAL 73 Cb -0.02 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 29.75 1ab7 h VAL 73 CO -0.02 0.02 -0.20 -0.26 0.02 0.00 0.00 177.57 177.12 1ab7 h PHE 74 N -1.00 -0.50 -0.51 1.57 -1.00 -0.83 0.48 116.94 115.15 1ab7 h PHE 74 Ca -0.00 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1ab7 h PHE 74 Cb 0.13 0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 1ab7 h PHE 74 CO -0.03 -0.29 0.34 0.00 -1.61 0.00 0.00 178.31 176.71 1ab7 h ARG 75 N -0.08 0.68 -0.04 1.51 3.08 -0.98 0.12 114.38 118.66 1ab7 h ARG 75 Ca 0.25 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.27 1ab7 h ARG 75 Cb 0.46 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1ab7 h ARG 75 CO -0.58 0.45 0.11 0.93 -1.07 0.00 0.00 179.97 179.81 1ab7 h GLU 76 N 0.69 0.00 0.00 0.04 5.08 0.13 0.12 114.58 120.65 1ab7 h GLU 76 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1ab7 h GLU 76 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ab7 h GLU 76 CO -0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 179.01 177.90 1ab7 h ALA 77 N 1.81 0.01 0.00 3.43 0.00 0.21 -0.78 119.26 123.93 1ab7 h ALA 77 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ab7 h ALA 77 Cb 0.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ab7 h ALA 77 CO -0.00 0.05 0.00 0.36 0.00 0.00 0.00 179.25 179.66 1ab7 n LYS 78 N -4.70 0.10 0.00 0.00 -0.00 -0.50 0.80 118.16 113.86 1ab7 n LYS 78 Ca -0.05 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 1ab7 n LYS 78 Cb 0.19 -1.76 0.00 0.00 -0.00 0.00 0.00 35.03 33.46 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 -1.67 0.00 -0.11 0.58 0.00 0.39 -4.59 120.51 115.11 1ab7 n ALA 79 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 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 0.00 -0.37 0.00 0.00 4.39 -1.15 -3.44 114.58 114.01 1ab7 h GLU 80 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ab7 h GLU 80 Cb 0.00 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1ab7 h GLU 80 CO 0.00 -0.25 0.00 0.41 -1.16 0.00 0.00 179.01 178.01 1ab7 n GLY 81 N -1.35 0.15 3.28 -3.84 0.00 -0.90 -5.08 105.19 97.45 1ab7 n GLY 81 Ca -0.04 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.91 -2.77 -2.66 4.61 0.00 0.24 -4.85 120.51 114.17 1ab7 n ALA 82 Ca 0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 1ab7 n ALA 82 Cb 0.00 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 2.20 6.20 -4.92 0.00 9.92 -1.26 -3.69 116.55 124.99 1ab7 n ASP 83 Ca 0.09 -3.71 -0.26 0.00 -0.53 0.00 0.00 54.79 50.38 1ab7 n ASP 83 Cb 0.47 -0.90 -0.01 0.00 -0.64 0.00 0.00 41.12 40.04 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 -4.55 5.03 -0.73 0.53 1.01 -1.26 -1.12 121.20 120.11 1ab7 s ILE 84 Ca 0.44 -0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 1ab7 s ILE 84 Cb 0.26 -3.84 0.19 0.00 0.01 0.00 0.00 42.46 39.08 1ab7 s ILE 84 CO -0.17 -0.60 0.58 -0.89 0.00 0.00 0.00 174.94 173.87 1ab7 s THR 85 N -2.39 4.25 -0.82 2.92 2.01 0.16 -4.74 115.64 117.03 1ab7 s THR 85 Ca 0.43 -3.07 -0.25 0.00 0.31 0.00 0.00 61.69 59.11 1ab7 s THR 85 Cb -0.10 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1ab7 s THR 85 CO 0.37 -0.96 1.70 -0.63 -0.69 0.00 0.00 174.62 174.42 1ab7 s ILE 86 N -0.32 3.57 -0.47 1.82 1.09 -1.26 0.14 121.20 125.77 1ab7 s ILE 86 Ca 0.20 -0.16 -0.22 0.00 -1.10 0.00 0.00 60.65 59.37 1ab7 s ILE 86 Cb -0.16 -4.37 0.03 0.00 -1.06 0.00 0.00 42.46 36.90 1ab7 s ILE 86 CO -0.06 -1.31 0.76 -0.63 -0.10 0.00 0.00 174.94 173.59 1ab7 s ILE 87 N 7.95 4.68 -0.55 2.92 -1.09 -0.45 -4.96 121.20 129.70 1ab7 s ILE 87 Ca 0.58 0.22 0.04 0.00 -2.23 0.00 0.00 60.65 59.27 1ab7 s ILE 87 Cb -0.07 -4.33 0.17 0.00 -1.58 0.00 0.00 42.46 36.65 1ab7 s ILE 87 CO 0.06 -0.76 0.41 -0.76 -1.23 0.00 0.00 174.94 172.66 1ab7 s LEU 88 N 3.20 3.02 0.00 2.97 1.43 -1.26 -1.47 118.68 126.57 1ab7 s LEU 88 Ca 0.26 -3.45 0.00 0.00 -1.03 0.00 0.00 54.13 49.92 1ab7 s LEU 88 Cb -0.13 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.09 1ab7 s LEU 88 CO 0.20 -0.13 0.00 -0.24 0.23 0.00 0.00 176.35 176.41