#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 2.41 0.50 1.97 0.00 -1.26 -0.99 119.74 122.37 1ab7 s LYS 2 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 55.97 54.59 1ab7 s LYS 2 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 37.83 34.67 1ab7 s LYS 2 CO 0.00 -0.60 0.89 0.00 0.00 0.00 0.00 175.35 175.65 1ab7 s ALA 3 N 1.22 3.22 -0.10 0.59 0.00 0.28 -4.84 121.76 122.13 1ab7 s ALA 3 Ca -0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 1ab7 s ALA 3 Cb -0.20 -2.89 0.05 0.00 0.00 0.00 0.00 23.12 20.08 1ab7 s ALA 3 CO -0.02 -0.29 0.24 0.08 0.00 0.00 0.00 175.76 175.78 1ab7 s VAL 4 N -2.69 -0.04 -0.16 0.00 1.01 -1.26 -0.76 120.40 116.50 1ab7 s VAL 4 Ca 0.54 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1ab7 s VAL 4 Cb -0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 1ab7 s VAL 4 CO 0.39 0.06 -0.12 -0.63 0.00 0.00 0.00 175.10 174.80 1ab7 s ILE 5 N 1.26 3.01 -0.23 2.22 1.01 -0.61 -4.92 121.20 122.93 1ab7 s ILE 5 Ca -0.09 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1ab7 s ILE 5 Cb -0.10 -2.30 0.05 0.00 0.01 0.00 0.00 42.46 40.12 1ab7 s ILE 5 CO -0.08 0.50 -0.11 0.20 0.00 0.00 0.00 174.94 175.44 1ab7 s ASN 6 N 0.78 3.94 0.22 3.58 -0.87 -1.26 -0.98 114.94 120.35 1ab7 s ASN 6 Ca -0.04 -1.15 0.21 0.00 -1.57 0.00 0.00 52.86 50.31 1ab7 s ASN 6 Cb -0.15 -1.42 0.92 0.00 -0.02 0.00 0.00 41.25 40.57 1ab7 s ASN 6 CO 0.01 -0.16 1.63 0.61 -2.57 0.00 0.00 177.10 176.62 1ab7 n GLY 7 N 4.55 -1.12 0.26 0.66 0.00 -1.26 -1.69 105.19 106.58 1ab7 n GLY 7 Ca -0.15 0.08 0.17 0.00 0.00 0.00 0.00 46.02 46.13 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 4.81 -1.98 -2.47 114.58 116.55 1ab7 h GLU 8 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ab7 h GLU 8 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1ab7 h GLU 8 CO 0.00 0.00 -1.35 0.94 -0.73 0.00 0.00 179.01 177.87 1ab7 n GLN 9 N -2.85 0.43 -2.25 1.92 -0.06 -0.68 -4.92 117.38 108.96 1ab7 n GLN 9 Ca -0.00 -0.08 -0.43 0.00 -2.00 0.00 0.00 57.00 54.49 1ab7 n GLN 9 Cb 0.19 -1.19 -0.02 0.00 -4.06 0.00 0.00 30.24 25.16 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 -2.56 3.82 -0.02 1.69 -1.09 -0.93 -4.78 121.20 117.32 1ab7 s ILE 10 Ca -0.03 0.85 -0.22 0.00 -2.23 0.00 0.00 60.65 59.03 1ab7 s ILE 10 Cb 0.06 -4.02 -0.25 0.00 -1.58 0.00 0.00 42.46 36.67 1ab7 s ILE 10 CO 0.36 -0.59 1.04 0.03 -1.23 0.00 0.00 174.94 174.54 1ab7 h ARG 11 N 10.99 0.31 0.00 2.79 3.08 -1.91 -3.45 114.38 126.18 1ab7 h ARG 11 Ca -0.29 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.34 1ab7 h ARG 11 Cb 1.12 0.11 -0.12 0.00 0.08 0.00 0.00 29.97 31.16 1ab7 h ARG 11 CO 1.06 1.06 0.06 0.45 -1.07 0.00 0.00 179.97 181.52 1ab7 n SER 12 N -4.31 -1.10 0.00 7.04 2.88 -1.26 -4.96 113.62 111.90 1ab7 n SER 12 Ca -0.11 -1.62 0.00 0.00 -1.33 0.00 0.00 58.87 55.81 1ab7 n SER 12 Cb 0.63 0.76 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 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 1.12 0.00 0.12 2.46 0.13 -1.26 -4.75 119.36 117.19 1ab7 n ILE 13 Ca -0.02 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.49 1ab7 n ILE 13 Cb 0.73 0.00 -0.08 0.00 -0.84 0.00 0.00 39.64 39.46 1ab7 n ILE 13 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 1ab7 h SER 14 N 0.00 -0.19 1.01 9.51 0.87 -1.97 -1.66 113.55 121.12 1ab7 h SER 14 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1ab7 h SER 14 Cb 0.00 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1ab7 h SER 14 CO 0.00 -0.13 -0.03 0.44 -0.53 0.00 0.00 176.83 176.58 1ab7 h ASP 15 N -0.23 0.00 0.50 6.23 5.19 -1.86 -2.96 116.42 123.28 1ab7 h ASP 15 Ca -0.02 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1ab7 h ASP 15 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1ab7 h ASP 15 CO 0.04 0.03 -0.24 0.25 -3.12 0.00 0.00 179.24 176.20 1ab7 h LEU 16 N 0.00 -0.57 -2.17 1.55 5.85 -1.71 0.61 115.31 118.87 1ab7 h LEU 16 Ca -0.00 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1ab7 h LEU 16 Cb 0.54 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1ab7 h LEU 16 CO 0.00 -0.15 0.26 0.45 -0.34 0.00 0.00 178.44 178.66 1ab7 h HIS 17 N -1.15 0.00 0.04 1.25 3.86 -1.33 0.38 115.15 118.19 1ab7 h HIS 17 Ca -0.07 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.91 1ab7 h HIS 17 Cb 0.54 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1ab7 h HIS 17 CO 0.01 0.00 -1.10 1.96 0.86 0.00 0.00 177.93 179.66 1ab7 h GLN 18 N 0.00 0.08 -0.16 2.45 4.20 -1.37 -0.20 115.11 120.10 1ab7 h GLN 18 Ca 0.11 -0.13 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 1ab7 h GLN 18 Cb 0.62 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1ab7 h GLN 18 CO -0.00 1.04 -0.55 1.15 -0.67 0.00 0.00 178.83 179.80 1ab7 h THR 19 N 0.02 1.33 0.11 -0.54 2.02 0.21 0.39 112.91 116.45 1ab7 h THR 19 Ca -0.06 -1.81 -0.27 0.00 0.77 0.00 0.00 66.41 65.04 1ab7 h THR 19 Cb 1.84 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1ab7 h THR 19 CO 0.15 0.56 -1.29 -0.07 0.37 0.00 0.00 175.52 175.24 1ab7 h LEU 20 N 0.38 0.36 -1.29 2.58 3.38 -1.21 -1.33 115.31 118.18 1ab7 h LEU 20 Ca 0.01 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1ab7 h LEU 20 Cb 1.08 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ab7 h LEU 20 CO 0.10 1.33 -0.09 0.50 0.09 0.00 0.00 178.44 180.37 1ab7 h LYS 21 N 0.06 0.00 0.10 1.13 3.64 -0.85 0.74 116.57 121.39 1ab7 h LYS 21 Ca -0.15 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.97 1ab7 h LYS 21 Cb 1.96 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.77 1ab7 h LYS 21 CO 0.18 0.09 -1.36 -0.22 -2.27 0.00 0.00 179.45 175.87 1ab7 h LYS 22 N 0.00 0.21 0.10 1.90 3.64 -0.08 -1.40 116.57 120.95 1ab7 h LYS 22 Ca -0.00 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1ab7 h LYS 22 Cb 0.61 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1ab7 h LYS 22 CO 0.01 1.17 -0.05 0.93 -2.27 0.00 0.00 179.45 179.24 1ab7 h GLU 23 N -0.38 -0.13 0.00 1.90 5.08 -1.17 -3.19 114.58 116.68 1ab7 h GLU 23 Ca -0.30 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 1ab7 h GLU 23 Cb 1.70 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1ab7 h GLU 23 CO 0.03 0.37 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.15 1ab7 h LEU 24 N -0.84 0.00 -1.92 1.33 3.38 -1.05 -3.47 115.31 112.74 1ab7 h LEU 24 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1ab7 h LEU 24 Cb 0.57 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.41 1ab7 h LEU 24 CO 0.02 0.20 -0.42 0.00 0.09 0.00 0.00 178.44 178.34 1ab7 n ALA 25 N -2.24 -1.13 -1.32 1.53 0.00 -0.63 -4.78 120.51 111.95 1ab7 n ALA 25 Ca -0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1ab7 n ALA 25 Cb 0.38 -1.74 0.13 0.00 0.00 0.00 0.00 19.45 18.22 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 -4.32 2.31 0.00 0.00 1.43 -0.62 -5.00 118.68 112.49 1ab7 s LEU 26 Ca 0.03 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1ab7 s LEU 26 Cb -0.00 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1ab7 s LEU 26 CO 0.39 -2.46 0.00 -0.81 0.23 0.00 0.00 176.35 173.70 1ab7 n PRO 27 N -3.76 -0.11 -0.06 1.29 -0.04 -1.26 -4.94 135.00 126.13 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 -2.01 -3.26 114.58 114.46 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 0.01 2.48 -1.18 0.00 0.00 179.01 181.35 1ab7 n TYR 29 N -4.53 0.35 -1.46 0.92 0.18 -1.26 -4.76 117.16 106.60 1ab7 n TYR 29 Ca -0.11 0.18 -0.57 0.00 1.88 0.00 0.00 57.90 59.28 1ab7 n TYR 29 Cb 0.54 -0.78 -0.08 0.00 -0.38 0.00 0.00 39.34 38.63 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 -1.86 0.82 0.00 -3.48 9.36 -1.23 -4.92 117.16 115.85 1ab7 n TYR 30 Ca -0.01 1.01 0.00 0.00 3.32 0.00 0.00 57.90 62.22 1ab7 n TYR 30 Cb 0.03 -1.99 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 1ab7 n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ab7 n GLY 31 N 1.90 -0.75 0.00 2.98 0.00 -1.26 -5.04 105.19 103.02 1ab7 n GLY 31 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ab7 n GLY 31 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ab7 n GLU 32 N 0.00 0.00 -1.07 1.61 -0.00 -1.26 -5.01 120.64 114.91 1ab7 n GLU 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1ab7 n GLU 32 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 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 0.00 0.00 0.00 -1.84 2.04 -1.26 -5.02 115.26 109.18 1ab7 n ASN 33 Ca 0.00 -0.73 0.14 0.00 -0.44 0.00 0.00 54.58 53.56 1ab7 n ASN 33 Cb 0.00 0.00 0.66 0.00 -2.53 0.00 0.00 39.78 37.91 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 0.00 -0.06 -4.53 -0.00 -1.26 -2.34 117.00 108.81 1ab7 n LEU 34 Ca 0.00 0.41 -0.07 0.00 -0.00 0.00 0.00 56.01 56.36 1ab7 n LEU 34 Cb 0.00 -0.41 -0.05 0.00 -0.00 0.00 0.00 43.42 42.95 1ab7 n LEU 34 CO 0.00 -0.01 0.03 -2.24 -0.00 0.00 0.00 177.39 175.17 1ab7 h ASP 35 N 0.00 0.00 -0.06 1.45 2.03 -1.97 -2.53 116.42 115.34 1ab7 h ASP 35 Ca 0.00 -0.35 -0.22 0.00 -0.73 0.00 0.00 57.03 55.73 1ab7 h ASP 35 Cb 0.41 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.91 1ab7 h ASP 35 CO 0.00 0.77 -0.78 0.00 -1.03 0.00 0.00 179.24 178.19 1ab7 h ALA 36 N -0.65 0.36 0.26 4.15 0.00 -1.98 -0.24 119.26 121.16 1ab7 h ALA 36 Ca -0.03 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1ab7 h ALA 36 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ab7 h ALA 36 CO -0.02 0.70 -0.13 1.25 0.00 0.00 0.00 179.25 181.06 1ab7 h LEU 37 N 0.49 -0.30 -0.70 0.00 5.85 -1.64 0.14 115.31 119.14 1ab7 h LEU 37 Ca -0.05 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1ab7 h LEU 37 Cb 1.41 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 1ab7 h LEU 37 CO 0.16 -0.07 0.44 -0.25 -0.34 0.00 0.00 178.44 178.38 1ab7 h TRP 38 N -0.52 0.83 -0.72 1.25 2.91 -1.50 0.41 115.95 118.62 1ab7 h TRP 38 Ca -0.04 0.02 0.18 0.00 1.13 0.00 0.00 58.89 60.19 1ab7 h TRP 38 Cb 0.39 -0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 28.72 1ab7 h TRP 38 CO -0.01 0.49 0.50 -0.44 -1.03 0.00 0.00 178.44 177.95 1ab7 h ASP 39 N 0.88 0.18 0.00 2.65 5.19 -0.59 -1.24 116.42 123.48 1ab7 h ASP 39 Ca 0.28 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1ab7 h ASP 39 Cb -0.01 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1ab7 h ASP 39 CO -0.10 0.08 -0.01 0.00 -3.12 0.00 0.00 179.24 176.09 1ab7 h ALA 40 N 1.65 0.00 -0.62 3.45 0.00 0.25 -3.25 119.26 120.74 1ab7 h ALA 40 Ca 0.35 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.28 1ab7 h ALA 40 Cb 1.12 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1ab7 h ALA 40 CO -0.06 0.01 -0.37 1.28 0.00 0.00 0.00 179.25 180.11 1ab7 n LEU 41 N -2.51 -0.66 -2.42 0.00 4.77 0.43 0.26 117.00 116.87 1ab7 n LEU 41 Ca -0.00 1.33 -0.22 0.00 -0.03 0.00 0.00 56.01 57.08 1ab7 n LEU 41 Cb 0.01 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 40.74 1ab7 n LEU 41 CO 0.00 -1.01 1.80 1.07 -1.33 0.00 0.00 177.39 177.92 1ab7 n THR 42 N -4.48 3.41 0.00 -5.08 5.66 -0.48 -3.46 114.28 109.84 1ab7 n THR 42 Ca 0.01 -2.42 0.00 0.00 -3.05 0.00 0.00 64.05 58.59 1ab7 n THR 42 Cb 0.16 -1.88 0.00 0.00 -1.55 0.00 0.00 70.33 67.06 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 1.84 0.00 0.14 1.09 0.00 0.22 -4.86 105.19 103.62 1ab7 n GLY 43 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.18 -1.34 1.61 -0.00 0.73 -4.63 117.44 113.64 1ab7 n TRP 44 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.21 1ab7 n TRP 44 Cb 0.00 0.04 0.13 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 -1.26 2.56 -0.29 5.87 1.01 -0.81 -4.93 120.40 122.55 1ab7 s VAL 45 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1ab7 s VAL 45 Cb 0.00 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.68 1ab7 s VAL 45 CO 0.00 -0.24 -0.05 -0.70 0.00 0.00 0.00 175.10 174.11 1ab7 s GLU 46 N -5.05 1.92 0.53 2.72 2.12 -1.26 -4.96 118.70 114.72 1ab7 s GLU 46 Ca 0.63 -1.52 -0.06 0.00 0.36 0.00 0.00 54.97 54.38 1ab7 s GLU 46 Cb -0.17 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 1ab7 s GLU 46 CO 0.56 -0.71 0.84 0.71 -0.54 0.00 0.00 175.26 176.12 1ab7 s TYR 47 N 1.05 3.42 0.24 5.30 2.02 -1.26 -2.44 117.35 125.68 1ab7 s TYR 47 Ca -0.01 0.74 -0.30 0.00 -0.37 0.00 0.00 57.07 57.13 1ab7 s TYR 47 Cb -0.20 -2.51 -0.09 0.00 -0.40 0.00 0.00 41.96 38.77 1ab7 s TYR 47 CO -0.06 -0.53 1.28 -1.25 -1.57 0.00 0.00 175.55 173.42 1ab7 s PRO 48 N -4.86 4.41 0.19 -1.71 0.04 -1.26 -4.82 135.00 126.99 1ab7 s PRO 48 Ca 0.51 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.67 1ab7 s PRO 48 Cb -0.10 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1ab7 s PRO 48 CO 0.45 -0.18 0.08 -1.17 0.04 0.00 0.00 177.00 176.23 1ab7 s LEU 49 N -0.67 3.57 -0.39 -3.56 2.96 -0.02 -2.54 118.68 118.04 1ab7 s LEU 49 Ca 0.53 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 1ab7 s LEU 49 Cb -0.37 -2.18 0.11 0.00 0.50 0.00 0.00 46.19 44.25 1ab7 s LEU 49 CO 0.42 0.06 0.12 -0.69 -1.32 0.00 0.00 176.35 174.93 1ab7 s VAL 50 N -1.84 2.17 -1.45 1.68 1.01 -0.16 0.26 120.40 122.07 1ab7 s VAL 50 Ca 0.30 -2.50 -0.11 0.00 0.00 0.00 0.00 61.98 59.66 1ab7 s VAL 50 Cb -0.09 -2.58 0.05 0.00 0.00 0.00 0.00 36.38 33.76 1ab7 s VAL 50 CO 0.22 -0.67 2.33 -0.11 0.00 0.00 0.00 175.10 176.86 1ab7 n LEU 51 N 3.99 7.34 -4.57 3.92 7.94 0.14 0.10 117.00 135.86 1ab7 n LEU 51 Ca 0.04 -4.36 -0.20 0.00 -1.11 0.00 0.00 56.01 50.38 1ab7 n LEU 51 Cb 0.39 -1.58 -0.07 0.00 0.53 0.00 0.00 43.42 42.70 1ab7 n LEU 51 CO 0.24 1.45 1.28 -0.70 -1.11 0.00 0.00 177.39 178.56 1ab7 s GLU 52 N 2.03 2.02 -0.23 1.96 2.12 0.06 -1.29 118.70 125.37 1ab7 s GLU 52 Ca 0.51 -0.14 -0.25 0.00 0.36 0.00 0.00 54.97 55.45 1ab7 s GLU 52 Cb 0.14 -4.98 -0.01 0.00 0.26 0.00 0.00 34.13 29.55 1ab7 s GLU 52 CO -0.06 -4.13 0.83 -0.46 -0.54 0.00 0.00 175.26 170.90 1ab7 s TRP 53 N 12.83 3.33 0.00 5.30 -0.11 -0.16 -1.58 118.94 138.56 1ab7 s TRP 53 Ca 0.79 1.16 0.00 0.00 1.22 0.00 0.00 56.10 59.27 1ab7 s TRP 53 Cb -0.08 -3.04 0.00 0.00 -1.50 0.00 0.00 33.47 28.85 1ab7 s TRP 53 CO 0.07 -0.37 0.00 0.54 -4.62 0.00 0.00 176.95 172.56 1ab7 n ARG 54 N 5.87 0.00 -2.41 5.86 5.12 -0.16 -4.28 116.66 126.66 1ab7 n ARG 54 Ca 0.05 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.56 1ab7 n ARG 54 Cb 0.48 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.77 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 2.93 -0.55 5.56 6.02 -1.26 -4.66 117.38 125.42 1ab7 n GLN 55 Ca 0.00 -3.09 0.41 0.00 -0.01 0.00 0.00 57.00 54.32 1ab7 n GLN 55 Cb 0.00 -3.50 0.64 0.00 1.02 0.00 0.00 30.24 28.40 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 9.00 0.08 -0.13 1.08 7.35 -1.26 -1.16 117.46 132.42 1ab7 n PHE 56 Ca 0.49 0.08 -0.06 0.00 -0.76 0.00 0.00 57.45 57.20 1ab7 n PHE 56 Cb 0.45 -0.48 -0.05 0.00 0.35 0.00 0.00 39.48 39.76 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 -0.09 -6.62 -4.13 4.22 -1.91 -3.35 114.58 102.70 1ab7 h GLU 57 Ca 0.75 0.01 -0.58 0.00 0.08 0.00 0.00 59.36 59.62 1ab7 h GLU 57 Cb 2.93 0.02 0.17 0.00 0.50 0.00 0.00 28.75 32.37 1ab7 h GLU 57 CO -0.06 -0.06 -0.24 0.00 -2.18 0.00 0.00 179.01 176.47 1ab7 n GLN 58 N -3.97 0.58 0.00 1.92 -0.00 -0.31 -1.43 117.38 114.18 1ab7 n GLN 58 Ca -0.00 0.23 0.00 0.00 -0.00 0.00 0.00 57.00 57.23 1ab7 n GLN 58 Cb 0.14 -1.85 0.00 0.00 -0.00 0.00 0.00 30.24 28.52 1ab7 n GLN 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ab7 n SER 59 N -0.00 0.00 0.07 2.61 2.88 -1.26 -4.74 113.62 113.17 1ab7 n SER 59 Ca 0.12 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.56 1ab7 n SER 59 Cb 0.48 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.43 0.09 0.00 -1.46 3.11 -1.37 -3.35 116.57 114.02 1ab7 h LYS 60 Ca 0.00 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1ab7 h LYS 60 Cb 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1ab7 h LYS 60 CO 0.00 1.04 0.00 1.04 -2.81 0.00 0.00 179.45 178.72 1ab7 n GLN 61 N -3.39 0.00 0.00 1.90 6.02 -1.25 -4.19 117.38 116.47 1ab7 n GLN 61 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1ab7 n GLN 61 Cb 0.98 -0.42 0.00 0.00 1.02 0.00 0.00 30.24 31.82 1ab7 n GLN 61 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ab7 n LEU 62 N -0.39 0.00 0.00 1.08 4.32 -1.26 -3.87 117.00 116.88 1ab7 n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ab7 n LEU 62 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1ab7 n LEU 62 CO 0.00 0.00 0.00 1.07 -1.22 0.00 0.00 177.39 177.24 1ab7 n THR 63 N -3.94 0.00 -3.13 -5.08 5.66 -1.26 -5.08 114.28 101.45 1ab7 n THR 63 Ca 0.00 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 1ab7 n THR 63 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 1.58 0.61 0.00 1.09 -1.05 -1.25 -4.89 118.70 114.79 1ab7 s GLU 64 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 1ab7 s GLU 64 Cb 0.00 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 1ab7 s GLU 64 CO 0.00 -0.96 0.00 -1.71 0.95 0.00 0.00 175.26 173.54 1ab7 n ASN 65 N 4.69 -1.81 0.05 0.83 2.85 -1.26 -4.92 115.26 115.68 1ab7 n ASN 65 Ca 0.08 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.53 1ab7 n ASN 65 Cb 0.57 -0.78 -0.01 0.00 1.24 0.00 0.00 39.78 40.80 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 -0.13 1.01 8.20 0.00 -1.86 0.36 103.07 110.65 1ab7 h GLY 66 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1ab7 h GLY 66 CO 0.00 -0.05 0.46 0.00 0.00 0.00 0.00 176.54 176.95 1ab7 h ALA 67 N -1.93 1.00 -0.02 3.60 0.00 -1.88 0.55 119.26 120.58 1ab7 h ALA 67 Ca -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ab7 h ALA 67 Cb 0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ab7 h ALA 67 CO 0.02 0.48 0.03 0.93 0.00 0.00 0.00 179.25 180.71 1ab7 h GLU 68 N 1.08 0.00 0.03 0.00 4.39 -1.91 -0.03 114.58 118.14 1ab7 h GLU 68 Ca 0.28 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 1ab7 h GLU 68 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1ab7 h GLU 68 CO -0.05 0.00 -0.01 1.03 -1.16 0.00 0.00 179.01 178.82 1ab7 h SER 69 N 0.00 -0.03 -0.10 1.42 0.87 0.20 -0.04 113.55 115.86 1ab7 h SER 69 Ca 0.01 -0.44 0.03 0.00 -1.23 0.00 0.00 61.79 60.16 1ab7 h SER 69 Cb 0.06 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1ab7 h SER 69 CO -0.00 0.67 0.25 0.58 -0.53 0.00 0.00 176.83 177.81 1ab7 h VAL 70 N -0.99 0.17 0.20 2.23 2.07 -0.96 0.56 116.25 119.54 1ab7 h VAL 70 Ca -0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 1ab7 h VAL 70 Cb 0.47 0.77 0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1ab7 h VAL 70 CO 0.01 0.00 -1.42 0.25 0.02 0.00 0.00 177.57 176.43 1ab7 h LEU 71 N 0.00 0.67 -1.73 2.57 7.12 -0.91 0.25 115.31 123.28 1ab7 h LEU 71 Ca 0.05 -0.73 -0.01 0.00 0.13 0.00 0.00 57.88 57.32 1ab7 h LEU 71 Cb 0.56 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1ab7 h LEU 71 CO -0.00 1.58 0.07 1.56 -0.13 0.00 0.00 178.44 181.52 1ab7 h GLN 72 N 0.12 0.25 0.00 1.25 4.20 0.21 0.13 115.11 121.26 1ab7 h GLN 72 Ca -0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1ab7 h GLN 72 Cb 2.09 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.82 1ab7 h GLN 72 CO 0.24 0.21 -0.15 0.28 -0.67 0.00 0.00 178.83 178.74 1ab7 h VAL 73 N 0.25 0.27 -0.46 -0.54 2.07 -1.18 -0.41 116.25 116.25 1ab7 h VAL 73 Ca 0.06 -1.22 0.09 0.00 0.82 0.00 0.00 66.70 66.46 1ab7 h VAL 73 Cb 0.05 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 1ab7 h VAL 73 CO -0.01 0.09 -0.24 -0.26 0.02 0.00 0.00 177.57 177.17 1ab7 h PHE 74 N -1.00 -0.63 -0.72 1.57 -1.00 -0.90 0.52 116.94 114.79 1ab7 h PHE 74 Ca -0.01 0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1ab7 h PHE 74 Cb 0.28 0.34 -0.03 0.00 3.61 0.00 0.00 35.95 40.15 1ab7 h PHE 74 CO -0.00 -0.32 0.39 0.00 -1.61 0.00 0.00 178.31 176.77 1ab7 h ARG 75 N -0.15 1.00 -0.00 1.51 3.08 -1.11 0.79 114.38 119.50 1ab7 h ARG 75 Ca 0.21 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ab7 h ARG 75 Cb 0.48 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1ab7 h ARG 75 CO -0.54 0.75 0.01 0.93 -1.07 0.00 0.00 179.97 180.04 1ab7 h GLU 76 N 0.99 0.00 0.00 0.04 5.08 0.16 0.62 114.58 121.47 1ab7 h GLU 76 Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1ab7 h GLU 76 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ab7 h GLU 76 CO -0.04 0.00 -0.09 0.00 -1.00 0.00 0.00 179.01 177.88 1ab7 h ALA 77 N 1.98 0.01 0.00 3.43 0.00 0.21 -0.90 119.26 123.99 1ab7 h ALA 77 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ab7 h ALA 77 Cb 0.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ab7 h ALA 77 CO -0.00 0.08 0.01 1.57 0.00 0.00 0.00 179.25 180.91 1ab7 h LYS 78 N -1.00 0.00 0.00 0.00 5.09 -0.92 0.36 116.57 120.10 1ab7 h LYS 78 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.73 1ab7 h LYS 78 Cb 0.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.58 1ab7 h LYS 78 CO -0.01 0.00 0.00 0.00 -2.09 0.00 0.00 179.45 177.35 1ab7 n ALA 79 N -1.87 0.00 -0.14 0.07 0.00 0.18 -4.53 120.51 114.22 1ab7 n ALA 79 Ca -0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1ab7 n ALA 79 Cb 0.06 0.00 -0.09 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 0.00 -0.36 0.00 0.00 4.39 -1.09 -3.44 114.58 114.08 1ab7 h GLU 80 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 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 -0.24 0.00 0.41 -1.16 0.00 0.00 179.01 178.02 1ab7 n GLY 81 N -1.35 0.17 3.23 -3.84 0.00 -0.79 -5.08 105.19 97.53 1ab7 n GLY 81 Ca -0.03 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.98 -3.29 -2.77 4.61 0.00 0.12 -4.85 120.51 113.35 1ab7 n ALA 82 Ca 0.00 -0.17 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 1ab7 n ALA 82 Cb 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 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 2.39 6.16 -4.93 0.00 9.92 -1.26 -3.75 116.55 125.07 1ab7 n ASP 83 Ca 0.07 -3.69 -0.26 0.00 -0.53 0.00 0.00 54.79 50.38 1ab7 n ASP 83 Cb 0.49 -0.92 -0.03 0.00 -0.64 0.00 0.00 41.12 40.02 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 -4.37 5.18 -0.66 0.53 1.01 -1.26 -0.84 121.20 120.79 1ab7 s ILE 84 Ca 0.43 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 1ab7 s ILE 84 Cb 0.23 -3.78 0.17 0.00 0.01 0.00 0.00 42.46 39.09 1ab7 s ILE 84 CO -0.13 -0.30 0.50 -0.89 0.00 0.00 0.00 174.94 174.12 1ab7 s THR 85 N -2.01 4.08 -0.83 2.92 2.01 0.14 -4.70 115.64 117.25 1ab7 s THR 85 Ca 0.39 -2.84 -0.25 0.00 0.31 0.00 0.00 61.69 59.29 1ab7 s THR 85 Cb -0.10 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.79 1ab7 s THR 85 CO 0.31 -0.90 1.58 -0.63 -0.69 0.00 0.00 174.62 174.28 1ab7 s ILE 86 N 0.01 3.66 -0.28 1.82 1.09 -1.26 0.24 121.20 126.47 1ab7 s ILE 86 Ca 0.17 -0.15 -0.17 0.00 -1.10 0.00 0.00 60.65 59.40 1ab7 s ILE 86 Cb -0.18 -4.59 -0.02 0.00 -1.06 0.00 0.00 42.46 36.60 1ab7 s ILE 86 CO -0.04 -1.52 0.48 -0.63 -0.10 0.00 0.00 174.94 173.13 1ab7 s ILE 87 N 7.03 5.08 0.00 2.92 1.01 -0.41 -4.88 121.20 131.95 1ab7 s ILE 87 Ca 0.52 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1ab7 s ILE 87 Cb -0.06 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1ab7 s ILE 87 CO 0.05 0.03 0.05 0.18 0.00 0.00 0.00 174.94 175.26 1ab7 n LEU 88 N 5.54 0.11 0.00 2.97 4.77 -1.26 -0.99 117.00 128.13 1ab7 n LEU 88 Ca -0.05 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1ab7 n LEU 88 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1ab7 n LEU 88 CO 0.41 0.03 0.00 -1.20 -1.33 0.00 0.00 177.39 175.29