#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 1.17 0.15 1.97 -2.85 -1.26 -0.73 119.74 118.19 1ab7 s LYS 2 Ca 0.00 -0.77 -0.06 0.00 -1.00 0.00 0.00 55.97 54.14 1ab7 s LYS 2 Cb 0.00 -2.37 -0.06 0.00 -2.06 0.00 0.00 37.83 33.34 1ab7 s LYS 2 CO 0.00 -0.64 0.41 0.00 0.10 0.00 0.00 175.35 175.22 1ab7 s ALA 3 N 1.59 3.74 -0.02 0.59 0.00 0.22 -4.84 121.76 123.04 1ab7 s ALA 3 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1ab7 s ALA 3 Cb -0.18 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.77 1ab7 s ALA 3 CO -0.08 0.63 0.03 0.08 0.00 0.00 0.00 175.76 176.42 1ab7 s VAL 4 N -1.66 -0.03 -0.26 0.00 1.01 -1.26 -0.46 120.40 117.73 1ab7 s VAL 4 Ca 0.41 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 1ab7 s VAL 4 Cb -0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 1ab7 s VAL 4 CO 0.23 0.09 0.24 -0.63 0.00 0.00 0.00 175.10 175.03 1ab7 s ILE 5 N 1.03 5.28 -0.39 2.22 -1.09 -0.39 -4.91 121.20 122.95 1ab7 s ILE 5 Ca -0.09 0.29 -0.02 0.00 -2.23 0.00 0.00 60.65 58.60 1ab7 s ILE 5 Cb -0.13 -3.57 0.10 0.00 -1.58 0.00 0.00 42.46 37.28 1ab7 s ILE 5 CO -0.03 0.25 0.17 0.20 -1.23 0.00 0.00 174.94 174.30 1ab7 s ASN 6 N 1.55 5.18 0.00 3.58 -0.87 -1.26 -0.46 114.94 122.65 1ab7 s ASN 6 Ca 0.10 -1.93 0.16 0.00 -1.57 0.00 0.00 52.86 49.61 1ab7 s ASN 6 Cb -0.15 -1.80 0.80 0.00 -0.02 0.00 0.00 41.25 40.07 1ab7 s ASN 6 CO 0.09 -0.49 1.48 0.61 -2.57 0.00 0.00 177.10 176.22 1ab7 n GLY 7 N 4.57 -0.87 0.04 0.66 0.00 -1.26 -1.29 105.19 107.05 1ab7 n GLY 7 Ca -0.03 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.33 0.18 -0.00 1.61 4.07 -1.26 -4.01 120.64 119.90 1ab7 n GLU 8 Ca 0.07 0.05 0.02 0.00 -0.06 0.00 0.00 57.16 57.24 1ab7 n GLU 8 Cb 0.14 -1.61 -0.03 0.00 -0.06 0.00 0.00 31.44 29.88 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 -1.87 0.46 -2.57 5.31 7.27 -0.69 -4.92 117.38 120.37 1ab7 n GLN 9 Ca 0.04 -0.03 -0.42 0.00 0.07 0.00 0.00 57.00 56.66 1ab7 n GLN 9 Cb 0.40 -1.09 -0.02 0.00 2.41 0.00 0.00 30.24 31.93 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 -2.25 4.05 0.04 1.69 -1.09 -0.41 -4.86 121.20 118.37 1ab7 s ILE 10 Ca -0.01 0.98 -0.18 0.00 -2.23 0.00 0.00 60.65 59.21 1ab7 s ILE 10 Cb 0.02 -4.66 -0.18 0.00 -1.58 0.00 0.00 42.46 36.06 1ab7 s ILE 10 CO 0.16 -1.22 1.23 0.03 -1.23 0.00 0.00 174.94 173.91 1ab7 h ARG 11 N 9.58 0.52 -4.15 2.79 3.08 -1.90 -3.47 114.38 120.83 1ab7 h ARG 11 Ca -0.25 -0.43 -0.12 0.00 0.07 0.00 0.00 59.98 59.25 1ab7 h ARG 11 Cb 1.06 0.09 -0.15 0.00 0.08 0.00 0.00 29.97 31.06 1ab7 h ARG 11 CO 1.17 1.06 -0.57 0.45 -1.07 0.00 0.00 179.97 181.00 1ab7 s SER 12 N -6.69 0.33 0.49 7.04 0.15 -1.26 -4.99 113.70 108.77 1ab7 s SER 12 Ca -0.13 -0.95 0.37 0.00 0.70 0.00 0.00 55.95 55.94 1ab7 s SER 12 Cb 0.06 0.27 1.53 0.00 -1.71 0.00 0.00 66.02 66.16 1ab7 s SER 12 CO 0.83 -0.68 1.64 -0.29 1.20 0.00 0.00 173.24 175.94 1ab7 h ILE 13 N 2.95 0.14 -0.29 6.45 -0.00 -1.90 0.21 117.51 125.08 1ab7 h ILE 13 Ca -0.34 -0.02 0.07 0.00 -0.00 0.00 0.00 64.86 64.57 1ab7 h ILE 13 Cb 1.17 0.08 -0.08 0.00 -0.00 0.00 0.00 36.82 37.99 1ab7 h ILE 13 CO 0.61 0.01 -0.25 0.77 -0.00 0.00 0.00 178.15 179.29 1ab7 h SER 14 N 0.06 -0.82 0.46 2.19 4.64 -1.97 0.30 113.55 118.41 1ab7 h SER 14 Ca 0.81 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 62.28 1ab7 h SER 14 Cb 2.85 0.39 -0.00 0.00 -0.31 0.00 0.00 62.40 65.33 1ab7 h SER 14 CO -0.23 -0.28 -0.03 0.44 -0.87 0.00 0.00 176.83 175.86 1ab7 h ASP 15 N -0.24 0.00 0.75 4.97 3.32 -0.98 -2.70 116.42 121.55 1ab7 h ASP 15 Ca 0.15 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1ab7 h ASP 15 Cb 0.47 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.03 1ab7 h ASP 15 CO -0.42 0.03 -0.36 0.25 -1.72 0.00 0.00 179.24 177.01 1ab7 h LEU 16 N 0.00 -0.85 -2.18 1.55 5.85 -0.30 0.56 115.31 119.94 1ab7 h LEU 16 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ab7 h LEU 16 Cb 0.26 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ab7 h LEU 16 CO 0.00 -0.49 0.00 0.45 -0.34 0.00 0.00 178.44 178.06 1ab7 h HIS 17 N -1.24 0.00 0.04 1.25 3.86 -1.25 0.25 115.15 118.07 1ab7 h HIS 17 Ca -0.10 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.87 1ab7 h HIS 17 Cb 0.78 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 1ab7 h HIS 17 CO 0.00 0.00 -1.13 1.96 0.86 0.00 0.00 177.93 179.62 1ab7 h GLN 18 N 0.00 0.09 -0.03 2.45 4.20 -1.11 0.09 115.11 120.81 1ab7 h GLN 18 Ca 0.00 -0.16 -0.17 0.00 0.06 0.00 0.00 58.65 58.38 1ab7 h GLN 18 Cb 0.05 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1ab7 h GLN 18 CO 0.00 1.05 -0.72 1.15 -0.67 0.00 0.00 178.83 179.64 1ab7 h THR 19 N 0.03 1.44 0.08 -0.54 2.02 0.18 0.32 112.91 116.43 1ab7 h THR 19 Ca -0.07 -2.27 -0.26 0.00 0.77 0.00 0.00 66.41 64.58 1ab7 h THR 19 Cb 1.85 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 70.46 1ab7 h THR 19 CO 0.15 0.66 -1.21 -0.07 0.37 0.00 0.00 175.52 175.42 1ab7 h LEU 20 N 0.13 0.28 -0.82 2.58 3.38 -1.25 -1.02 115.31 118.58 1ab7 h LEU 20 Ca -0.02 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1ab7 h LEU 20 Cb 1.27 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1ab7 h LEU 20 CO 0.11 1.24 -0.18 0.50 0.09 0.00 0.00 178.44 180.20 1ab7 h LYS 21 N 0.05 0.00 0.09 1.13 3.64 -0.79 0.45 116.57 121.14 1ab7 h LYS 21 Ca -0.11 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.94 1ab7 h LYS 21 Cb 1.92 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.71 1ab7 h LYS 21 CO 0.17 0.18 -1.82 1.57 -2.27 0.00 0.00 179.45 177.29 1ab7 h LYS 22 N 0.00 0.20 0.00 1.90 2.10 -0.28 -2.09 116.57 118.40 1ab7 h LYS 22 Ca -0.00 -0.33 -0.01 0.00 -2.00 0.00 0.00 60.65 58.31 1ab7 h LYS 22 Cb 0.84 0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1ab7 h LYS 22 CO 0.02 1.00 -0.05 0.93 -2.00 0.00 0.00 179.45 179.35 1ab7 h GLU 23 N 0.05 0.00 0.00 0.07 4.39 -1.15 -3.31 114.58 114.63 1ab7 h GLU 23 Ca -0.35 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 1ab7 h GLU 23 Cb 2.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.67 1ab7 h GLU 23 CO 0.10 0.57 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.15 1ab7 h LEU 24 N -1.00 0.00 -2.00 1.33 3.38 -1.11 -3.47 115.31 112.44 1ab7 h LEU 24 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1ab7 h LEU 24 Cb 0.59 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.38 1ab7 h LEU 24 CO -0.01 0.30 -0.18 0.00 0.09 0.00 0.00 178.44 178.64 1ab7 n ALA 25 N -2.36 -0.50 -1.38 1.53 0.00 -0.89 -4.80 120.51 112.12 1ab7 n ALA 25 Ca -0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1ab7 n ALA 25 Cb 0.39 -1.01 0.12 0.00 0.00 0.00 0.00 19.45 18.96 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 -3.05 2.30 0.00 0.00 1.43 -0.84 -5.01 118.68 113.51 1ab7 s LEU 26 Ca 0.01 1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 54.37 1ab7 s LEU 26 Cb -0.00 -3.79 0.09 0.00 0.03 0.00 0.00 46.19 42.52 1ab7 s LEU 26 CO 0.17 -2.42 0.41 -0.81 0.23 0.00 0.00 176.35 173.93 1ab7 n PRO 27 N -3.72 -1.10 0.13 1.29 -0.04 -1.26 -4.95 135.00 125.35 1ab7 n PRO 27 Ca 0.07 -0.65 -0.24 0.00 -0.04 0.00 0.00 63.50 62.64 1ab7 n PRO 27 Cb 0.56 -0.51 -0.16 0.00 -0.04 0.00 0.00 33.50 33.35 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 0.50 0.00 0.54 4.81 -2.00 -3.22 114.58 115.21 1ab7 h GLU 28 Ca -0.14 -0.86 0.00 0.00 -0.13 0.00 0.00 59.36 58.22 1ab7 h GLU 28 Cb 0.41 0.32 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1ab7 h GLU 28 CO 0.10 1.41 0.00 2.48 -0.73 0.00 0.00 179.01 182.27 1ab7 n TYR 29 N -3.77 0.00 -1.25 0.92 0.18 -1.26 -4.84 117.16 107.14 1ab7 n TYR 29 Ca -0.17 0.00 -0.51 0.00 1.88 0.00 0.00 57.90 59.10 1ab7 n TYR 29 Cb 1.07 -0.06 -0.08 0.00 -0.38 0.00 0.00 39.34 39.88 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 -1.06 1.24 1.21 -3.48 9.36 -1.22 -4.71 117.16 118.49 1ab7 n TYR 30 Ca 0.13 0.81 0.10 0.00 3.32 0.00 0.00 57.90 62.25 1ab7 n TYR 30 Cb 0.08 -1.73 0.57 0.00 -0.63 0.00 0.00 39.34 37.64 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 3.77 -0.61 4.09 2.98 0.00 -1.26 -4.85 105.19 109.30 1ab7 n GLY 31 Ca 0.29 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1ab7 n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ab7 n GLU 32 N -1.00 -2.63 -1.38 1.61 4.71 -1.26 -4.91 120.64 115.78 1ab7 n GLU 32 Ca 0.14 0.31 0.00 0.00 -0.01 0.00 0.00 57.16 57.61 1ab7 n GLU 32 Cb 0.07 -4.35 0.00 0.00 -1.01 0.00 0.00 31.44 26.15 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1ab7 n ASN 33 N -2.92 0.00 0.08 1.62 0.23 -1.26 -4.99 115.26 108.01 1ab7 n ASN 33 Ca -0.27 -0.75 -0.10 0.00 -0.53 0.00 0.00 54.58 52.94 1ab7 n ASN 33 Cb 0.66 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.25 1ab7 n ASN 33 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1ab7 h LEU 34 N 0.00 0.13 -0.05 -4.53 4.07 -1.91 -1.88 115.31 111.14 1ab7 h LEU 34 Ca 0.00 -0.14 -0.04 0.00 0.08 0.00 0.00 57.88 57.78 1ab7 h LEU 34 Cb 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1ab7 h LEU 34 CO 0.00 1.10 -0.11 -2.24 -1.08 0.00 0.00 178.44 176.11 1ab7 h ASP 35 N 0.03 0.19 -0.10 -0.43 3.04 -1.96 -0.16 116.42 117.03 1ab7 h ASP 35 Ca -0.05 -0.57 -0.15 0.00 -3.24 0.00 0.00 57.03 53.02 1ab7 h ASP 35 Cb 1.80 -0.05 0.01 0.00 -1.04 0.00 0.00 39.33 40.05 1ab7 h ASP 35 CO 0.15 0.72 -0.53 0.00 -2.04 0.00 0.00 179.24 177.54 1ab7 h ALA 36 N 0.47 0.19 0.29 4.15 0.00 -1.92 -0.07 119.26 122.37 1ab7 h ALA 36 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1ab7 h ALA 36 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ab7 h ALA 36 CO 0.02 0.40 -0.14 1.25 0.00 0.00 0.00 179.25 180.78 1ab7 h LEU 37 N 0.13 -0.33 -0.82 0.00 5.85 -1.43 0.16 115.31 118.87 1ab7 h LEU 37 Ca -0.04 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.67 1ab7 h LEU 37 Cb 1.18 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 1ab7 h LEU 37 CO 0.11 -0.14 0.50 -0.25 -0.34 0.00 0.00 178.44 178.32 1ab7 h TRP 38 N -0.51 0.92 -0.29 1.25 -0.00 -1.08 0.49 115.95 116.72 1ab7 h TRP 38 Ca -0.04 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.93 1ab7 h TRP 38 Cb 0.38 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.23 1ab7 h TRP 38 CO -0.03 0.47 0.20 -0.44 -0.00 0.00 0.00 178.44 178.64 1ab7 h ASP 39 N 0.91 0.16 0.00 2.65 5.19 -0.45 -1.83 116.42 123.06 1ab7 h ASP 39 Ca 0.36 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.77 1ab7 h ASP 39 Cb 0.17 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1ab7 h ASP 39 CO -0.17 0.11 0.00 0.00 -3.12 0.00 0.00 179.24 176.06 1ab7 n ALA 40 N -2.54 0.00 -0.25 3.45 0.00 0.14 -3.56 120.51 117.74 1ab7 n ALA 40 Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 1ab7 n ALA 40 Cb 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.92 -0.62 -2.52 0.00 4.77 0.76 0.25 117.00 117.71 1ab7 n LEU 41 Ca 0.00 1.23 -0.24 0.00 -0.03 0.00 0.00 56.01 56.97 1ab7 n LEU 41 Cb 0.00 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 1ab7 n LEU 41 CO 0.00 -0.94 1.92 1.07 -1.33 0.00 0.00 177.39 178.10 1ab7 n THR 42 N -4.45 3.56 0.00 -5.08 5.66 -0.69 -3.70 114.28 109.59 1ab7 n THR 42 Ca 0.01 -2.54 0.00 0.00 -3.05 0.00 0.00 64.05 58.47 1ab7 n THR 42 Cb 0.15 -1.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.00 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 1.92 0.00 0.43 1.09 0.00 0.27 -4.86 105.19 104.05 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 -0.54 -1.32 1.61 -0.00 0.71 -4.62 117.44 113.26 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 0.11 0.12 0.00 -0.00 0.00 0.00 31.31 31.54 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 -1.62 2.80 -0.21 5.87 1.01 -0.95 -4.94 120.40 122.37 1ab7 s VAL 45 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1ab7 s VAL 45 Cb 0.00 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1ab7 s VAL 45 CO 0.00 -0.34 -0.02 -0.70 0.00 0.00 0.00 175.10 174.04 1ab7 s GLU 46 N -5.01 3.49 0.26 2.72 2.12 -1.26 -4.95 118.70 116.06 1ab7 s GLU 46 Ca 0.62 -0.58 0.07 0.00 0.36 0.00 0.00 54.97 55.45 1ab7 s GLU 46 Cb -0.17 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1ab7 s GLU 46 CO 0.56 -0.08 0.19 0.71 -0.54 0.00 0.00 175.26 176.09 1ab7 s TYR 47 N 1.21 3.07 0.33 5.30 2.02 -1.26 -2.89 117.35 125.13 1ab7 s TYR 47 Ca 0.03 -0.13 -0.28 0.00 -0.37 0.00 0.00 57.07 56.32 1ab7 s TYR 47 Cb -0.14 -1.40 -0.10 0.00 -0.40 0.00 0.00 41.96 39.91 1ab7 s TYR 47 CO -0.00 0.51 1.21 -1.25 -1.57 0.00 0.00 175.55 174.46 1ab7 s PRO 48 N -3.84 4.37 0.22 -1.71 0.04 -1.26 -4.80 135.00 128.03 1ab7 s PRO 48 Ca 0.33 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.46 1ab7 s PRO 48 Cb -0.08 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 1ab7 s PRO 48 CO 0.25 -0.10 0.08 -1.17 0.04 0.00 0.00 177.00 176.10 1ab7 s LEU 49 N -1.84 3.52 -0.42 -3.56 2.96 0.11 -2.34 118.68 117.11 1ab7 s LEU 49 Ca 0.49 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 1ab7 s LEU 49 Cb -0.35 -2.10 0.12 0.00 0.50 0.00 0.00 46.19 44.35 1ab7 s LEU 49 CO 0.46 0.02 0.17 -0.69 -1.32 0.00 0.00 176.35 175.00 1ab7 s VAL 50 N -2.01 2.78 -1.43 1.68 1.01 0.09 0.30 120.40 122.81 1ab7 s VAL 50 Ca 0.31 -2.51 -0.09 0.00 0.00 0.00 0.00 61.98 59.69 1ab7 s VAL 50 Cb -0.08 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.39 1ab7 s VAL 50 CO 0.22 -0.69 2.47 -0.11 0.00 0.00 0.00 175.10 176.98 1ab7 n LEU 51 N 4.06 7.90 -4.57 3.92 7.94 0.37 0.71 117.00 137.32 1ab7 n LEU 51 Ca 0.03 -4.58 -0.15 0.00 -1.11 0.00 0.00 56.01 50.20 1ab7 n LEU 51 Cb 0.40 -1.48 -0.09 0.00 0.53 0.00 0.00 43.42 42.77 1ab7 n LEU 51 CO 0.29 1.83 1.18 -0.70 -1.11 0.00 0.00 177.39 178.87 1ab7 s GLU 52 N 0.76 1.50 -0.86 1.96 2.12 0.39 -1.46 118.70 123.11 1ab7 s GLU 52 Ca 0.56 0.00 -0.25 0.00 0.36 0.00 0.00 54.97 55.64 1ab7 s GLU 52 Cb 0.16 -4.90 0.03 0.00 0.26 0.00 0.00 34.13 29.68 1ab7 s GLU 52 CO -0.07 -4.83 1.45 -0.46 -0.54 0.00 0.00 175.26 170.82 1ab7 s TRP 53 N 15.38 2.30 0.00 5.30 -0.11 -0.70 -1.27 118.94 139.84 1ab7 s TRP 53 Ca 0.86 -0.26 0.00 0.00 1.22 0.00 0.00 56.10 57.92 1ab7 s TRP 53 Cb -0.09 -4.57 0.00 0.00 -1.50 0.00 0.00 33.47 27.31 1ab7 s TRP 53 CO 0.12 -2.01 0.00 0.54 -4.62 0.00 0.00 176.95 170.97 1ab7 n ARG 54 N 9.12 0.00 -3.16 5.86 1.74 0.39 -4.33 116.66 126.28 1ab7 n ARG 54 Ca 0.20 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.84 1ab7 n ARG 54 Cb 0.50 -0.35 -0.06 0.00 -1.02 0.00 0.00 32.46 31.53 1ab7 n ARG 54 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ab7 s GLN 55 N 0.00 3.11 0.01 5.56 -1.52 -1.25 -4.77 119.66 120.79 1ab7 s GLN 55 Ca 0.00 -0.96 0.15 0.00 -1.95 0.00 0.00 55.36 52.60 1ab7 s GLN 55 Cb 0.00 -4.12 -0.18 0.00 -0.22 0.00 0.00 33.01 28.49 1ab7 s GLN 55 CO 0.00 -1.25 0.74 0.34 -0.25 0.00 0.00 175.29 174.86 1ab7 n PHE 56 N 6.15 0.96 0.00 0.91 -0.00 -1.26 -4.08 117.46 120.14 1ab7 n PHE 56 Ca -0.07 0.33 0.00 0.00 -0.00 0.00 0.00 57.45 57.71 1ab7 n PHE 56 Cb 0.45 -1.12 0.00 0.00 -0.00 0.00 0.00 39.48 38.81 1ab7 n PHE 56 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1ab7 n GLU 57 N -2.94 0.00 -0.70 -4.13 0.00 -1.26 -4.18 120.64 107.43 1ab7 n GLU 57 Ca -0.13 0.71 -0.29 0.00 0.00 0.00 0.00 57.16 57.45 1ab7 n GLU 57 Cb 0.93 -1.43 0.25 0.00 0.00 0.00 0.00 31.44 31.19 1ab7 n GLU 57 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1ab7 s GLN 58 N -2.70 -1.26 0.00 5.31 -2.07 -1.26 -3.39 119.66 114.28 1ab7 s GLN 58 Ca 0.00 0.46 0.00 0.00 -1.82 0.00 0.00 55.36 54.00 1ab7 s GLN 58 Cb 0.00 -1.54 0.00 0.00 -1.09 0.00 0.00 33.01 30.38 1ab7 s GLN 58 CO 0.00 -3.86 0.00 0.45 -1.32 0.00 0.00 175.29 170.56 1ab7 n SER 59 N -4.96 0.00 0.16 12.60 2.88 -1.26 -4.59 113.62 118.45 1ab7 n SER 59 Ca 0.07 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.68 1ab7 n SER 59 Cb 0.57 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.10 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 -1.72 -3.36 116.57 113.67 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 0.19 -0.00 0.37 -2.27 0.00 0.00 179.45 177.74 1ab7 h GLN 61 N 0.00 0.00 -1.22 1.90 4.15 -1.81 -3.34 115.11 114.79 1ab7 h GLN 61 Ca -0.02 0.00 0.37 0.00 0.77 0.00 0.00 58.65 59.77 1ab7 h GLN 61 Cb 1.18 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.81 1ab7 h GLN 61 CO 0.03 0.00 0.87 1.28 -1.93 0.00 0.00 178.83 179.07 1ab7 n LEU 62 N -2.41 0.03 0.00 -2.39 4.32 -1.26 -4.04 117.00 111.25 1ab7 n LEU 62 Ca -0.00 0.72 0.00 0.00 -0.02 0.00 0.00 56.01 56.71 1ab7 n LEU 62 Cb 0.00 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 1ab7 n LEU 62 CO 0.00 -0.73 0.00 1.07 -1.22 0.00 0.00 177.39 176.51 1ab7 n THR 63 N -3.43 0.00 0.00 -5.08 5.66 -1.25 -5.05 114.28 105.12 1ab7 n THR 63 Ca 0.29 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 1ab7 n THR 63 Cb 1.27 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 1ab7 n THR 63 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1ab7 n GLU 64 N 0.00 0.00 -0.53 1.09 0.28 -1.25 -4.96 120.64 115.26 1ab7 n GLU 64 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ab7 n GLU 64 Cb 0.00 -0.17 -0.00 0.00 1.43 0.00 0.00 31.44 32.69 1ab7 n GLU 64 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ab7 n ASN 65 N -2.24 -0.03 0.00 -1.84 4.13 -1.26 -4.93 115.26 109.09 1ab7 n ASN 65 Ca 0.00 -1.21 0.00 0.00 1.68 0.00 0.00 54.58 55.05 1ab7 n ASN 65 Cb 0.03 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ab7 n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ab7 n GLY 66 N 0.00 -2.35 0.19 7.41 0.00 -1.26 0.24 105.19 109.42 1ab7 n GLY 66 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 0.57 0.00 4.61 0.00 -1.89 0.28 119.26 120.83 1ab7 h ALA 67 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ab7 h ALA 67 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ab7 h ALA 67 CO 0.00 -0.08 -0.00 1.49 0.00 0.00 0.00 179.25 180.66 1ab7 h GLU 68 N 0.51 0.00 0.00 0.00 4.81 -1.90 -1.74 114.58 116.26 1ab7 h GLU 68 Ca 0.18 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 1ab7 h GLU 68 Cb 0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1ab7 h GLU 68 CO -0.10 0.00 -0.77 0.77 -0.73 0.00 0.00 179.01 178.18 1ab7 h SER 69 N 0.00 0.00 -0.99 1.04 0.02 0.18 -0.98 113.55 112.82 1ab7 h SER 69 Ca -0.00 -0.66 0.17 0.00 -0.84 0.00 0.00 61.79 60.46 1ab7 h SER 69 Cb 0.03 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.47 1ab7 h SER 69 CO 0.00 1.28 0.60 0.58 -1.14 0.00 0.00 176.83 178.15 1ab7 h VAL 70 N -1.00 0.74 -0.20 2.27 2.07 -0.99 0.12 116.25 119.25 1ab7 h VAL 70 Ca -0.21 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1ab7 h VAL 70 Cb 1.15 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1ab7 h VAL 70 CO -0.13 0.14 -0.20 0.25 0.02 0.00 0.00 177.57 177.66 1ab7 h LEU 71 N 0.79 0.52 -1.66 2.57 5.85 -1.41 0.16 115.31 122.12 1ab7 h LEU 71 Ca 0.56 -0.48 0.26 0.00 0.84 0.00 0.00 57.88 59.06 1ab7 h LEU 71 Cb 0.81 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 1ab7 h LEU 71 CO -0.36 0.89 0.67 1.56 -0.34 0.00 0.00 178.44 180.85 1ab7 h GLN 72 N 0.16 0.24 0.12 1.25 4.20 0.61 -0.05 115.11 121.63 1ab7 h GLN 72 Ca 0.03 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.54 1ab7 h GLN 72 Cb 0.74 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.48 1ab7 h GLN 72 CO 0.05 0.16 -0.88 0.28 -0.67 0.00 0.00 178.83 177.76 1ab7 h VAL 73 N 0.24 1.41 -0.30 -0.54 2.07 -0.78 -1.64 116.25 116.72 1ab7 h VAL 73 Ca 0.51 -2.47 0.07 0.00 0.82 0.00 0.00 66.70 65.62 1ab7 h VAL 73 Cb 1.56 3.08 -0.07 0.00 -1.52 0.00 0.00 31.29 34.34 1ab7 h VAL 73 CO -0.15 0.69 -0.15 -0.26 0.02 0.00 0.00 177.57 177.72 1ab7 h PHE 74 N -0.45 -0.36 -0.46 1.57 -1.00 0.62 0.34 116.94 117.19 1ab7 h PHE 74 Ca -0.17 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.66 1ab7 h PHE 74 Cb 1.59 0.21 -0.03 0.00 3.61 0.00 0.00 35.95 41.32 1ab7 h PHE 74 CO 0.19 -0.22 0.27 0.00 -1.61 0.00 0.00 178.31 176.94 1ab7 h ARG 75 N -0.11 0.53 -0.06 1.51 2.47 -1.17 0.13 114.38 117.68 1ab7 h ARG 75 Ca 0.16 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.86 1ab7 h ARG 75 Cb 0.34 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1ab7 h ARG 75 CO -0.37 0.35 0.11 0.93 0.56 0.00 0.00 179.97 181.56 1ab7 h GLU 76 N 0.55 0.00 0.00 0.04 5.08 0.25 0.20 114.58 120.70 1ab7 h GLU 76 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ab7 h GLU 76 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ab7 h GLU 76 CO -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 177.90 1ab7 h ALA 77 N 1.83 0.00 0.00 3.43 0.00 0.22 -0.96 119.26 123.78 1ab7 h ALA 77 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ab7 h ALA 77 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ab7 h ALA 77 CO -0.00 0.02 0.09 -0.22 0.00 0.00 0.00 179.25 179.13 1ab7 h LYS 78 N -0.26 0.00 0.00 0.00 3.11 -1.19 0.68 116.57 118.91 1ab7 h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ab7 h LYS 78 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 1ab7 h LYS 78 CO 0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 179.45 176.61 1ab7 h ALA 79 N 1.80 0.00 0.12 5.00 0.00 -0.68 -3.41 119.26 122.08 1ab7 h ALA 79 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ab7 h ALA 79 Cb 0.17 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1ab7 h ALA 79 CO 0.00 0.03 -0.47 0.93 0.00 0.00 0.00 179.25 179.74 1ab7 h GLU 80 N -0.13 -0.66 0.00 0.00 4.39 -1.02 -3.44 114.58 113.73 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 0.03 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1ab7 h GLU 80 CO 0.00 -0.44 0.00 0.41 -1.16 0.00 0.00 179.01 177.82 1ab7 n GLY 81 N -1.43 0.16 3.03 -3.84 0.00 -0.70 -5.08 105.19 97.33 1ab7 n GLY 81 Ca -0.08 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.55 -5.32 -2.61 4.61 0.00 0.23 -4.83 120.51 111.04 1ab7 n ALA 82 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 53.44 52.40 1ab7 n ALA 82 Cb 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 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 3.11 5.21 -4.93 0.00 9.92 -1.26 -3.82 116.55 124.77 1ab7 n ASP 83 Ca -0.01 -3.72 -0.25 0.00 -0.53 0.00 0.00 54.79 50.28 1ab7 n ASP 83 Cb 0.57 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 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 -4.97 4.59 -0.46 0.53 1.01 -1.26 -0.71 121.20 119.94 1ab7 s ILE 84 Ca 0.48 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.96 1ab7 s ILE 84 Cb 0.34 -3.72 0.12 0.00 0.01 0.00 0.00 42.46 39.21 1ab7 s ILE 84 CO -0.19 -0.58 0.19 -0.89 0.00 0.00 0.00 174.94 173.47 1ab7 s THR 85 N -2.59 2.48 -0.47 2.92 2.01 0.15 -4.69 115.64 115.45 1ab7 s THR 85 Ca 0.46 -3.00 -0.28 0.00 0.31 0.00 0.00 61.69 59.18 1ab7 s THR 85 Cb -0.10 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.66 1ab7 s THR 85 CO 0.40 -0.73 1.44 -0.63 -0.69 0.00 0.00 174.62 174.41 1ab7 s ILE 86 N 0.10 3.83 -0.16 1.82 1.09 -1.26 -0.48 121.20 126.14 1ab7 s ILE 86 Ca 0.15 0.79 -0.12 0.00 -1.10 0.00 0.00 60.65 60.37 1ab7 s ILE 86 Cb -0.24 -4.26 -0.05 0.00 -1.06 0.00 0.00 42.46 36.85 1ab7 s ILE 86 CO -0.03 -0.90 0.23 -0.63 -0.10 0.00 0.00 174.94 173.50 1ab7 s ILE 87 N 5.86 5.35 0.00 2.92 1.01 -0.54 -4.93 121.20 130.87 1ab7 s ILE 87 Ca 0.59 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1ab7 s ILE 87 Cb -0.13 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1ab7 s ILE 87 CO 0.29 0.45 0.47 0.18 0.00 0.00 0.00 174.94 176.33 1ab7 n LEU 88 N 3.23 0.04 0.00 2.97 4.77 -1.26 -1.72 117.00 125.02 1ab7 n LEU 88 Ca -0.14 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1ab7 n LEU 88 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1ab7 n LEU 88 CO 0.38 0.01 0.00 -0.24 -1.33 0.00 0.00 177.39 176.20