#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 1.58 -0.02 1.97 0.00 -1.26 -0.73 119.74 121.27 1ab7 s LYS 2 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 55.97 55.03 1ab7 s LYS 2 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 37.83 36.16 1ab7 s LYS 2 CO 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 175.35 175.71 1ab7 s ALA 3 N -0.75 0.73 -0.11 0.59 0.00 0.13 -4.73 121.76 117.62 1ab7 s ALA 3 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1ab7 s ALA 3 Cb -0.09 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1ab7 s ALA 3 CO 0.01 0.11 -0.11 0.08 0.00 0.00 0.00 175.76 175.85 1ab7 s VAL 4 N 0.25 1.24 -0.50 0.00 1.01 -1.26 -0.16 120.40 120.98 1ab7 s VAL 4 Ca -0.03 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 1ab7 s VAL 4 Cb -0.08 -1.19 0.05 0.00 0.00 0.00 0.00 36.38 35.15 1ab7 s VAL 4 CO 0.00 0.40 0.67 -0.63 0.00 0.00 0.00 175.10 175.54 1ab7 s ILE 5 N 1.41 4.80 -0.64 2.22 -1.09 -0.42 -4.89 121.20 122.59 1ab7 s ILE 5 Ca 0.01 -0.24 -0.10 0.00 -2.23 0.00 0.00 60.65 58.09 1ab7 s ILE 5 Cb -0.13 -4.31 0.16 0.00 -1.58 0.00 0.00 42.46 36.60 1ab7 s ILE 5 CO -0.06 -0.79 0.52 0.20 -1.23 0.00 0.00 174.94 173.58 1ab7 s ASN 6 N 2.53 5.96 0.00 3.58 0.01 -1.26 0.29 114.94 126.05 1ab7 s ASN 6 Ca 0.19 -2.42 0.08 0.00 -0.71 0.00 0.00 52.86 50.00 1ab7 s ASN 6 Cb -0.17 -2.05 0.36 0.00 0.41 0.00 0.00 41.25 39.80 1ab7 s ASN 6 CO 0.15 -0.58 1.26 0.61 -1.51 0.00 0.00 177.10 177.03 1ab7 n GLY 7 N 4.24 -0.78 0.25 0.66 0.00 -1.26 -1.50 105.19 106.80 1ab7 n GLY 7 Ca 0.03 -0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1ab7 n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ab7 h GLU 8 N 0.00 0.00 0.00 1.61 4.57 -1.90 -3.01 114.58 115.85 1ab7 h GLU 8 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ab7 h GLU 8 Cb 0.14 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1ab7 h GLU 8 CO 0.00 0.00 -1.23 0.94 -1.18 0.00 0.00 179.01 177.54 1ab7 n GLN 9 N -2.91 0.72 -1.87 1.92 -0.06 -0.56 -4.89 117.38 109.73 1ab7 n GLN 9 Ca 0.00 -0.04 -0.31 0.00 -2.00 0.00 0.00 57.00 54.66 1ab7 n GLN 9 Cb 0.26 -1.11 -0.04 0.00 -4.06 0.00 0.00 30.24 25.29 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 -2.29 3.25 0.22 1.69 -1.09 -0.88 -4.78 121.20 117.33 1ab7 s ILE 10 Ca -0.02 -0.04 -0.08 0.00 -2.23 0.00 0.00 60.65 58.29 1ab7 s ILE 10 Cb 0.03 -3.62 0.19 0.00 -1.58 0.00 0.00 42.46 37.48 1ab7 s ILE 10 CO 0.19 -0.60 1.70 0.03 -1.23 0.00 0.00 174.94 175.03 1ab7 h ARG 11 N 14.48 0.25 0.00 2.79 3.08 -1.90 -3.41 114.38 129.67 1ab7 h ARG 11 Ca -0.11 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1ab7 h ARG 11 Cb 1.11 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1ab7 h ARG 11 CO 1.17 0.17 0.00 0.45 -1.07 0.00 0.00 179.97 180.69 1ab7 n SER 12 N -5.14 0.00 0.00 7.04 2.88 -1.26 -4.97 113.62 112.17 1ab7 n SER 12 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1ab7 n SER 12 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1ab7 n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ab7 n ILE 13 N 0.00 0.00 0.40 2.46 0.00 -1.26 -4.74 119.36 116.22 1ab7 n ILE 13 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 62.75 62.59 1ab7 n ILE 13 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 39.64 39.57 1ab7 n ILE 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1ab7 h SER 14 N 0.00 -0.86 0.18 9.51 4.64 -1.93 -1.67 113.55 123.41 1ab7 h SER 14 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1ab7 h SER 14 Cb 0.00 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1ab7 h SER 14 CO 0.00 -0.61 0.00 0.44 -0.87 0.00 0.00 176.83 175.79 1ab7 h ASP 15 N -1.04 0.00 0.15 4.97 5.19 -1.88 -2.16 116.42 121.65 1ab7 h ASP 15 Ca -0.10 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1ab7 h ASP 15 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1ab7 h ASP 15 CO 0.17 0.00 -0.07 0.25 -3.12 0.00 0.00 179.24 176.47 1ab7 h LEU 16 N 0.00 -0.17 -2.74 1.55 5.85 -1.73 0.78 115.31 118.85 1ab7 h LEU 16 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ab7 h LEU 16 Cb 0.09 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1ab7 h LEU 16 CO 0.00 -0.04 0.01 0.45 -0.34 0.00 0.00 178.44 178.52 1ab7 h HIS 17 N -0.38 0.00 0.09 1.25 3.86 -1.20 0.32 115.15 119.10 1ab7 h HIS 17 Ca -0.02 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.92 1ab7 h HIS 17 Cb 0.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1ab7 h HIS 17 CO 0.07 0.00 -1.25 1.96 0.86 0.00 0.00 177.93 179.58 1ab7 h GLN 18 N 0.00 0.19 -0.10 2.45 4.20 -1.36 -0.41 115.11 120.08 1ab7 h GLN 18 Ca 0.00 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.27 1ab7 h GLN 18 Cb 0.01 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1ab7 h GLN 18 CO 0.00 1.13 -0.43 1.15 -0.67 0.00 0.00 178.83 180.00 1ab7 h THR 19 N 0.05 1.32 0.19 -0.54 2.02 0.21 0.16 112.91 116.32 1ab7 h THR 19 Ca -0.13 -1.57 -0.31 0.00 0.77 0.00 0.00 66.41 65.18 1ab7 h THR 19 Cb 1.93 1.73 0.02 0.00 -1.74 0.00 0.00 68.15 70.09 1ab7 h THR 19 CO 0.18 0.47 -1.37 -0.07 0.37 0.00 0.00 175.52 175.09 1ab7 h LEU 20 N 0.18 0.63 -1.92 2.58 3.38 -1.20 -0.81 115.31 118.15 1ab7 h LEU 20 Ca 0.01 -0.68 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 1ab7 h LEU 20 Cb 0.84 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ab7 h LEU 20 CO 0.07 1.53 -0.12 0.50 0.09 0.00 0.00 178.44 180.51 1ab7 h LYS 21 N 0.11 0.00 0.05 1.13 3.64 -0.70 0.11 116.57 120.91 1ab7 h LYS 21 Ca -0.20 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.88 1ab7 h LYS 21 Cb 2.07 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.86 1ab7 h LYS 21 CO 0.24 0.12 -1.68 1.57 -2.27 0.00 0.00 179.45 177.43 1ab7 h LYS 22 N 0.00 0.10 0.07 1.90 2.10 -0.54 -0.72 116.57 119.48 1ab7 h LYS 22 Ca -0.00 -0.18 -0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1ab7 h LYS 22 Cb 0.31 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1ab7 h LYS 22 CO 0.02 0.80 -0.03 0.93 -2.00 0.00 0.00 179.45 179.17 1ab7 h GLU 23 N 0.03 -0.08 0.00 0.07 5.08 -0.58 -3.30 114.58 115.79 1ab7 h GLU 23 Ca -0.28 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1ab7 h GLU 23 Cb 2.00 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.27 1ab7 h GLU 23 CO 0.10 -0.06 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.91 1ab7 h LEU 24 N -0.69 0.00 -2.66 1.33 3.38 -1.02 -3.46 115.31 112.18 1ab7 h LEU 24 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1ab7 h LEU 24 Cb 0.07 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.85 1ab7 h LEU 24 CO 0.01 0.08 -0.13 0.00 0.09 0.00 0.00 178.44 178.49 1ab7 n ALA 25 N -2.31 -0.67 -1.99 1.53 0.00 -0.95 -4.83 120.51 111.29 1ab7 n ALA 25 Ca -0.02 0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1ab7 n ALA 25 Cb 0.18 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.49 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 -3.18 3.08 0.00 0.00 1.43 -0.32 -5.00 118.68 114.69 1ab7 s LEU 26 Ca 0.05 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1ab7 s LEU 26 Cb -0.01 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1ab7 s LEU 26 CO 0.11 -1.19 0.00 -0.81 0.23 0.00 0.00 176.35 174.69 1ab7 n PRO 27 N -2.78 0.06 -0.07 1.29 -0.04 -1.26 -4.90 135.00 127.31 1ab7 n PRO 27 Ca 0.06 0.00 -0.14 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 0.01 0.00 0.54 4.81 -2.00 -3.24 114.58 114.70 1ab7 h GLU 28 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ab7 h GLU 28 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1ab7 h GLU 28 CO 0.00 1.01 0.00 2.48 -0.73 0.00 0.00 179.01 181.77 1ab7 n TYR 29 N -4.59 0.24 -1.31 0.92 0.18 -1.26 -4.78 117.16 106.55 1ab7 n TYR 29 Ca -0.10 0.11 -0.51 0.00 1.88 0.00 0.00 57.90 59.28 1ab7 n TYR 29 Cb 0.49 -0.68 -0.07 0.00 -0.38 0.00 0.00 39.34 38.70 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 -1.74 1.03 -2.77 -3.48 9.36 -1.22 -4.84 117.16 113.49 1ab7 n TYR 30 Ca 0.00 0.89 -0.40 0.00 3.32 0.00 0.00 57.90 61.71 1ab7 n TYR 30 Cb 0.05 -1.73 -0.05 0.00 -0.63 0.00 0.00 39.34 36.98 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 1.39 3.04 -1.26 2.98 0.00 -1.26 -4.93 107.32 107.28 1ab7 s GLY 31 Ca 0.79 0.56 -0.07 0.00 0.00 0.00 0.00 44.72 46.00 1ab7 s GLY 31 CO 0.57 1.26 2.68 -1.84 0.00 0.00 0.00 173.10 175.78 1ab7 n GLU 32 N 2.09 3.96 -2.49 2.90 -0.00 -1.26 -4.09 120.64 121.75 1ab7 n GLU 32 Ca -0.01 -2.81 -0.06 0.00 -0.00 0.00 0.00 57.16 54.29 1ab7 n GLU 32 Cb 0.48 -2.60 -0.01 0.00 -0.00 0.00 0.00 31.44 29.31 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 2.28 -0.59 0.03 -1.84 2.04 -1.26 -5.02 115.26 110.90 1ab7 n ASN 33 Ca 0.65 -1.75 0.14 0.00 -0.44 0.00 0.00 54.58 53.18 1ab7 n ASN 33 Cb 0.31 1.08 0.56 0.00 -2.53 0.00 0.00 39.78 39.20 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 0.21 -0.06 -4.53 -0.00 -1.26 -1.97 117.00 109.38 1ab7 n LEU 34 Ca -0.00 0.52 -0.09 0.00 -0.00 0.00 0.00 56.01 56.43 1ab7 n LEU 34 Cb 0.24 -0.45 -0.09 0.00 -0.00 0.00 0.00 43.42 43.12 1ab7 n LEU 34 CO 0.12 -0.05 0.23 -2.24 -0.00 0.00 0.00 177.39 175.44 1ab7 h ASP 35 N 0.00 0.00 0.49 1.45 2.03 -1.95 -0.90 116.42 117.54 1ab7 h ASP 35 Ca 0.00 -0.64 -0.18 0.00 -0.73 0.00 0.00 57.03 55.48 1ab7 h ASP 35 Cb 0.56 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.04 1ab7 h ASP 35 CO 0.00 0.85 -0.76 0.00 -1.03 0.00 0.00 179.24 178.29 1ab7 h ALA 36 N -0.36 0.65 0.24 4.15 0.00 -1.78 -0.22 119.26 121.94 1ab7 h ALA 36 Ca -0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1ab7 h ALA 36 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ab7 h ALA 36 CO -0.01 0.84 -0.11 1.25 0.00 0.00 0.00 179.25 181.22 1ab7 h LEU 37 N 0.14 -0.27 -0.95 0.00 5.85 -1.53 0.17 115.31 118.72 1ab7 h LEU 37 Ca -0.03 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.52 1ab7 h LEU 37 Cb 1.34 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.37 1ab7 h LEU 37 CO 0.12 0.17 0.60 -0.25 -0.34 0.00 0.00 178.44 178.74 1ab7 h TRP 38 N -0.79 1.10 -0.18 1.25 -0.00 -1.19 0.56 115.95 116.71 1ab7 h TRP 38 Ca -0.03 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 1ab7 h TRP 38 Cb 0.51 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 29.30 1ab7 h TRP 38 CO 0.05 0.53 0.03 -0.44 -0.00 0.00 0.00 178.44 178.61 1ab7 h ASP 39 N 1.05 0.22 0.00 2.65 3.32 -0.86 -2.21 116.42 120.59 1ab7 h ASP 39 Ca 0.43 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1ab7 h ASP 39 Cb 0.25 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1ab7 h ASP 39 CO -0.20 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 1ab7 n ALA 40 N -2.50 0.00 -0.13 3.45 0.00 0.15 -3.35 120.51 118.13 1ab7 n ALA 40 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1ab7 n ALA 40 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.99 -0.33 -2.86 0.00 4.77 0.12 0.26 117.00 116.98 1ab7 n LEU 41 Ca 0.00 0.95 -0.30 0.00 -0.03 0.00 0.00 56.01 56.63 1ab7 n LEU 41 Cb 0.00 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1ab7 n LEU 41 CO 0.00 -0.65 2.24 1.07 -1.33 0.00 0.00 177.39 178.73 1ab7 n THR 42 N -3.65 4.04 0.00 -5.08 5.66 -0.83 -3.28 114.28 111.14 1ab7 n THR 42 Ca 0.01 -2.96 0.00 0.00 -3.05 0.00 0.00 64.05 58.04 1ab7 n THR 42 Cb 0.08 -2.05 0.00 0.00 -1.55 0.00 0.00 70.33 66.81 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 2.08 0.00 0.10 1.09 0.00 0.31 -4.82 105.19 103.95 1ab7 n GLY 43 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.13 -1.00 1.61 -0.00 0.73 -4.58 117.44 114.07 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 0.03 0.15 0.00 -0.00 0.00 0.00 31.31 31.48 1ab7 n TRP 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1ab7 s VAL 45 N -1.37 2.61 -0.31 5.87 1.01 -0.74 -4.93 120.40 122.54 1ab7 s VAL 45 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1ab7 s VAL 45 Cb 0.00 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.94 1ab7 s VAL 45 CO 0.00 -0.26 -0.01 -0.70 0.00 0.00 0.00 175.10 174.13 1ab7 s GLU 46 N -4.79 2.12 0.49 2.72 2.56 -1.26 -4.95 118.70 115.58 1ab7 s GLU 46 Ca 0.64 -1.49 -0.05 0.00 0.00 0.00 0.00 54.97 54.07 1ab7 s GLU 46 Cb -0.20 -3.13 -0.03 0.00 2.00 0.00 0.00 34.13 32.77 1ab7 s GLU 46 CO 0.58 -0.72 0.80 0.71 -0.56 0.00 0.00 175.26 176.07 1ab7 s TYR 47 N 1.11 3.56 0.25 5.30 2.02 -1.26 -1.21 117.35 127.12 1ab7 s TYR 47 Ca -0.02 0.82 -0.30 0.00 -0.37 0.00 0.00 57.07 57.21 1ab7 s TYR 47 Cb -0.20 -2.33 -0.09 0.00 -0.40 0.00 0.00 41.96 38.94 1ab7 s TYR 47 CO -0.04 -0.31 1.27 -1.25 -1.57 0.00 0.00 175.55 173.65 1ab7 s PRO 48 N -4.76 4.42 0.19 -1.71 0.04 -1.26 -4.79 135.00 127.13 1ab7 s PRO 48 Ca 0.48 2.06 0.08 0.00 0.04 0.00 0.00 61.00 63.66 1ab7 s PRO 48 Cb -0.10 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1ab7 s PRO 48 CO 0.45 -0.15 -0.05 -1.17 0.04 0.00 0.00 177.00 176.12 1ab7 s LEU 49 N -0.83 3.13 0.03 -3.56 2.96 -0.21 -1.63 118.68 118.56 1ab7 s LEU 49 Ca 0.52 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 53.96 1ab7 s LEU 49 Cb -0.37 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1ab7 s LEU 49 CO 0.43 0.08 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.72 1ab7 s VAL 50 N -1.81 3.13 -0.45 1.68 1.01 0.09 -0.42 120.40 123.63 1ab7 s VAL 50 Ca 0.27 -1.04 0.09 0.00 0.00 0.00 0.00 61.98 61.29 1ab7 s VAL 50 Cb -0.09 -2.34 0.32 0.00 0.00 0.00 0.00 36.38 34.27 1ab7 s VAL 50 CO 0.17 0.34 0.74 -0.11 0.00 0.00 0.00 175.10 176.24 1ab7 n LEU 51 N 1.50 1.83 -4.57 3.92 7.94 -0.31 0.21 117.00 127.53 1ab7 n LEU 51 Ca -0.16 -5.14 -0.20 0.00 -1.11 0.00 0.00 56.01 49.40 1ab7 n LEU 51 Cb 0.52 0.27 -0.08 0.00 0.53 0.00 0.00 43.42 44.66 1ab7 n LEU 51 CO 0.29 2.24 1.27 -0.70 -1.11 0.00 0.00 177.39 179.37 1ab7 s GLU 52 N -2.41 1.88 -0.75 1.96 2.12 0.77 -1.65 118.70 120.62 1ab7 s GLU 52 Ca 0.41 -0.33 -0.26 0.00 0.36 0.00 0.00 54.97 55.15 1ab7 s GLU 52 Cb 0.28 -5.01 -0.01 0.00 0.26 0.00 0.00 34.13 29.65 1ab7 s GLU 52 CO -0.09 -4.43 1.69 -0.46 -0.54 0.00 0.00 175.26 171.43 1ab7 s TRP 53 N 13.58 1.94 -0.01 5.30 -0.11 -0.21 -1.30 118.94 138.13 1ab7 s TRP 53 Ca 0.79 0.36 -0.30 0.00 1.22 0.00 0.00 56.10 58.17 1ab7 s TRP 53 Cb -0.06 -4.28 -0.07 0.00 -1.50 0.00 0.00 33.47 27.56 1ab7 s TRP 53 CO 0.10 -2.09 1.77 1.03 -4.62 0.00 0.00 176.95 173.14 1ab7 s ARG 54 N 6.48 4.17 -0.02 5.86 1.81 0.14 -3.91 118.95 133.49 1ab7 s ARG 54 Ca 0.58 2.35 -0.00 0.00 -1.72 0.00 0.00 55.73 56.94 1ab7 s ARG 54 Cb -0.09 -4.03 0.00 0.00 -0.45 0.00 0.00 34.95 30.39 1ab7 s ARG 54 CO 0.11 -0.88 0.01 1.04 -0.68 0.00 0.00 175.30 174.90 1ab7 n GLN 55 N 7.19 -0.94 0.10 3.54 6.02 -1.04 -4.09 117.38 128.15 1ab7 n GLN 55 Ca 0.18 1.12 -0.05 0.00 -0.01 0.00 0.00 57.00 58.24 1ab7 n GLN 55 Cb 0.42 -1.24 0.04 0.00 1.02 0.00 0.00 30.24 30.48 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 4.16 0.12 -0.36 1.08 3.04 -1.82 -3.32 116.94 119.84 1ab7 h PHE 56 Ca -0.02 -0.06 0.04 0.00 3.98 0.00 0.00 57.97 61.91 1ab7 h PHE 56 Cb 0.58 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.02 1ab7 h PHE 56 CO 0.00 0.83 -0.31 1.49 -2.02 0.00 0.00 178.31 178.31 1ab7 h GLU 57 N 0.05 -0.12 -7.31 1.11 4.81 -1.95 -3.32 114.58 107.84 1ab7 h GLU 57 Ca -0.02 0.01 -0.50 0.00 -0.13 0.00 0.00 59.36 58.71 1ab7 h GLU 57 Cb 1.38 0.03 0.14 0.00 0.63 0.00 0.00 28.75 30.93 1ab7 h GLU 57 CO 0.11 -0.08 0.28 1.14 -0.73 0.00 0.00 179.01 179.74 1ab7 s GLN 58 N -4.38 1.79 0.00 1.92 -2.07 -1.25 -3.21 119.66 112.46 1ab7 s GLN 58 Ca -0.07 1.10 0.00 0.00 -1.82 0.00 0.00 55.36 54.57 1ab7 s GLN 58 Cb 0.05 -1.85 0.00 0.00 -1.09 0.00 0.00 33.01 30.12 1ab7 s GLN 58 CO 0.33 -1.95 0.00 0.45 -1.32 0.00 0.00 175.29 172.80 1ab7 n SER 59 N -3.73 0.00 0.10 12.60 2.88 -1.26 -4.67 113.62 119.54 1ab7 n SER 59 Ca 0.09 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.64 1ab7 n SER 59 Cb 0.54 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 1ab7 n SER 59 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1ab7 h LYS 60 N 0.00 0.00 0.00 -1.46 3.64 -1.65 -3.37 116.57 113.73 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 0.43 -0.00 1.96 -2.27 0.00 0.00 179.45 179.56 1ab7 h GLN 61 N 0.00 0.00 -0.93 1.90 4.20 -1.83 -3.32 115.11 115.13 1ab7 h GLN 61 Ca -0.06 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.92 1ab7 h GLN 61 Cb 1.46 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.20 1ab7 h GLN 61 CO 0.06 0.00 1.14 1.47 -0.67 0.00 0.00 178.83 180.83 1ab7 n LEU 62 N -3.60 0.00 0.00 1.46 -0.00 -1.26 -4.21 117.00 109.39 1ab7 n LEU 62 Ca -0.00 0.70 0.00 0.00 -0.00 0.00 0.00 56.01 56.71 1ab7 n LEU 62 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 1ab7 n LEU 62 CO 0.00 -0.70 0.00 1.07 -0.00 0.00 0.00 177.39 177.76 1ab7 n THR 63 N -3.09 0.00 -2.82 1.47 5.66 -1.25 -4.95 114.28 109.31 1ab7 n THR 63 Ca 0.21 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.16 1ab7 n THR 63 Cb 1.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.21 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 4.99 1.05 0.00 1.09 -1.05 -1.26 -4.89 118.70 118.64 1ab7 s GLU 64 Ca 0.00 -1.07 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 1ab7 s GLU 64 Cb 0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.58 1ab7 s GLU 64 CO 0.00 -1.32 0.00 -1.71 0.95 0.00 0.00 175.26 173.18 1ab7 n ASN 65 N 3.03 -0.22 0.05 0.83 2.85 -1.26 -4.92 115.26 115.61 1ab7 n ASN 65 Ca 0.18 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.63 1ab7 n ASN 65 Cb 0.56 -0.20 -0.01 0.00 1.24 0.00 0.00 39.78 41.36 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1ab7 h GLY 66 N 0.00 -0.43 0.88 8.20 0.00 -1.90 0.25 103.07 110.07 1ab7 h GLY 66 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.53 1ab7 h GLY 66 CO 0.00 -0.16 0.29 0.00 0.00 0.00 0.00 176.54 176.67 1ab7 h ALA 67 N -1.81 0.62 -0.09 3.60 0.00 -1.87 -0.07 119.26 119.64 1ab7 h ALA 67 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ab7 h ALA 67 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ab7 h ALA 67 CO 0.01 -0.02 0.16 1.49 0.00 0.00 0.00 179.25 180.89 1ab7 h GLU 68 N 0.58 0.00 0.00 0.00 4.57 -1.89 -1.03 114.58 116.81 1ab7 h GLU 68 Ca 0.20 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 1ab7 h GLU 68 Cb 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1ab7 h GLU 68 CO -0.09 0.00 -0.50 1.03 -1.18 0.00 0.00 179.01 178.27 1ab7 h SER 69 N 0.00 0.00 -0.79 1.04 0.87 0.14 -1.07 113.55 113.73 1ab7 h SER 69 Ca 0.04 -0.54 0.22 0.00 -1.23 0.00 0.00 61.79 60.28 1ab7 h SER 69 Cb 0.36 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 1ab7 h SER 69 CO -0.00 1.06 0.56 0.58 -0.53 0.00 0.00 176.83 178.50 1ab7 h VAL 70 N -1.00 0.63 0.02 2.23 2.07 -0.98 0.20 116.25 119.42 1ab7 h VAL 70 Ca -0.12 -0.03 -0.15 0.00 0.82 0.00 0.00 66.70 67.22 1ab7 h VAL 70 Cb 0.88 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1ab7 h VAL 70 CO -0.07 0.01 -0.60 0.25 0.02 0.00 0.00 177.57 177.18 1ab7 h LEU 71 N 0.08 0.50 -1.69 2.57 5.85 -1.25 0.72 115.31 122.09 1ab7 h LEU 71 Ca 0.38 -0.79 0.21 0.00 0.84 0.00 0.00 57.88 58.52 1ab7 h LEU 71 Cb 1.41 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 1ab7 h LEU 71 CO -0.04 1.23 0.58 1.56 -0.34 0.00 0.00 178.44 181.43 1ab7 h GLN 72 N -0.17 0.26 0.10 1.25 4.20 0.73 -0.48 115.11 120.99 1ab7 h GLN 72 Ca -0.08 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 1ab7 h GLN 72 Cb 1.34 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 29.07 1ab7 h GLN 72 CO 0.12 0.17 -0.80 0.28 -0.67 0.00 0.00 178.83 177.92 1ab7 h VAL 73 N 0.26 1.43 -0.09 -0.54 2.07 -1.16 -1.24 116.25 116.98 1ab7 h VAL 73 Ca 0.43 -2.45 0.04 0.00 0.82 0.00 0.00 66.70 65.54 1ab7 h VAL 73 Cb 1.26 3.07 -0.05 0.00 -1.52 0.00 0.00 31.29 34.04 1ab7 h VAL 73 CO -0.11 0.66 -0.25 -0.26 0.02 0.00 0.00 177.57 177.63 1ab7 h PHE 74 N -0.53 -0.68 -0.76 1.57 0.04 0.04 0.28 116.94 116.90 1ab7 h PHE 74 Ca -0.16 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.65 1ab7 h PHE 74 Cb 1.51 0.31 -0.04 0.00 2.20 0.00 0.00 35.95 39.94 1ab7 h PHE 74 CO 0.19 -0.34 0.50 0.00 -0.60 0.00 0.00 178.31 178.07 1ab7 h ARG 75 N -0.34 0.99 -0.18 1.51 3.08 -1.25 0.70 114.38 118.90 1ab7 h ARG 75 Ca 0.09 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.13 1ab7 h ARG 75 Cb 0.47 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1ab7 h ARG 75 CO -0.29 0.66 0.20 0.93 -1.07 0.00 0.00 179.97 180.40 1ab7 h GLU 76 N 1.02 0.00 0.00 0.04 4.39 0.44 0.39 114.58 120.86 1ab7 h GLU 76 Ca 0.28 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.97 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 -0.11 0.00 -1.16 0.00 0.00 179.01 177.67 1ab7 h ALA 77 N 1.77 0.02 0.00 3.43 0.00 0.17 -0.82 119.26 123.83 1ab7 h ALA 77 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ab7 h ALA 77 Cb 0.48 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ab7 h ALA 77 CO -0.00 0.07 0.00 1.17 0.00 0.00 0.00 179.25 180.49 1ab7 n LYS 78 N -4.65 0.09 -0.02 0.00 0.00 -0.59 0.23 118.16 113.22 1ab7 n LYS 78 Ca -0.08 0.22 -0.02 0.00 0.00 0.00 0.00 58.31 58.43 1ab7 n LYS 78 Cb 0.32 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.85 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 -1.39 0.20 0.00 3.14 0.00 0.13 -4.63 120.51 117.96 1ab7 n ALA 79 Ca 0.05 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 53.02 1ab7 n ALA 79 Cb 0.13 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.28 -0.55 0.00 0.00 4.39 -1.19 -3.44 114.58 113.52 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 0.22 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 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 0.26 3.10 -3.84 0.00 -0.94 -5.08 105.19 97.24 1ab7 n GLY 81 Ca -0.05 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1ab7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab7 n ALA 82 N -1.38 -4.63 -2.96 4.61 0.00 0.61 -4.84 120.51 111.93 1ab7 n ALA 82 Ca 0.00 -0.53 -0.32 0.00 0.00 0.00 0.00 53.44 52.58 1ab7 n ALA 82 Cb 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 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 2.77 5.34 -4.91 0.00 9.92 -1.26 -3.81 116.55 124.59 1ab7 n ASP 83 Ca 0.01 -3.62 -0.25 0.00 -0.53 0.00 0.00 54.79 50.40 1ab7 n ASP 83 Cb 0.54 -0.82 -0.04 0.00 -0.64 0.00 0.00 41.12 40.16 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 -3.89 5.07 -0.82 0.53 1.01 -1.26 -1.05 121.20 120.80 1ab7 s ILE 84 Ca 0.43 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1ab7 s ILE 84 Cb 0.21 -3.63 0.20 0.00 0.01 0.00 0.00 42.46 39.25 1ab7 s ILE 84 CO -0.09 -0.13 0.69 -0.89 0.00 0.00 0.00 174.94 174.52 1ab7 s THR 85 N -1.79 4.23 -0.46 2.92 2.01 0.44 -4.67 115.64 118.33 1ab7 s THR 85 Ca 0.33 -3.57 -0.28 0.00 0.31 0.00 0.00 61.69 58.49 1ab7 s THR 85 Cb -0.10 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 1ab7 s THR 85 CO 0.27 -1.03 1.70 -0.63 -0.69 0.00 0.00 174.62 174.24 1ab7 s ILE 86 N -0.94 3.56 -0.13 1.82 1.09 -1.26 -1.16 121.20 124.18 1ab7 s ILE 86 Ca 0.24 0.51 -0.03 0.00 -1.10 0.00 0.00 60.65 60.27 1ab7 s ILE 86 Cb -0.11 -3.94 -0.03 0.00 -1.06 0.00 0.00 42.46 37.33 1ab7 s ILE 86 CO -0.10 -0.72 -0.03 -0.63 -0.10 0.00 0.00 174.94 173.37 1ab7 s ILE 87 N 7.15 4.02 -0.47 2.92 -1.09 -0.66 -4.98 121.20 128.09 1ab7 s ILE 87 Ca 0.69 -0.33 0.06 0.00 -2.23 0.00 0.00 60.65 58.84 1ab7 s ILE 87 Cb -0.16 -2.73 0.21 0.00 -1.58 0.00 0.00 42.46 38.19 1ab7 s ILE 87 CO 0.29 0.53 0.48 0.18 -1.23 0.00 0.00 174.94 175.19 1ab7 n LEU 88 N 3.05 0.75 0.00 2.97 4.77 -1.26 -1.05 117.00 126.23 1ab7 n LEU 88 Ca -0.18 -4.74 0.00 0.00 -0.03 0.00 0.00 56.01 51.06 1ab7 n LEU 88 Cb 0.53 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1ab7 n LEU 88 CO 0.31 1.96 0.00 -0.24 -1.33 0.00 0.00 177.39 178.09