#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 1.19 0.42 1.97 2.20 -1.26 -0.47 119.74 123.79 1ab7 s LYS 2 Ca 0.00 -1.32 -0.15 0.00 -0.36 0.00 0.00 55.97 54.14 1ab7 s LYS 2 Cb 0.00 -2.56 -0.08 0.00 -1.51 0.00 0.00 37.83 33.68 1ab7 s LYS 2 CO 0.00 -0.87 0.84 0.00 -0.36 0.00 0.00 175.35 174.96 1ab7 s ALA 3 N 1.32 3.22 -0.04 3.13 0.00 0.23 -4.84 121.76 124.78 1ab7 s ALA 3 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 1ab7 s ALA 3 Cb -0.18 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.08 1ab7 s ALA 3 CO -0.14 0.04 0.07 0.08 0.00 0.00 0.00 175.76 175.81 1ab7 s VAL 4 N -2.31 -0.08 -0.07 0.00 1.01 -1.26 -0.69 120.40 117.00 1ab7 s VAL 4 Ca 0.56 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 1ab7 s VAL 4 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1ab7 s VAL 4 CO 0.25 0.11 0.09 -0.63 0.00 0.00 0.00 175.10 174.92 1ab7 s ILE 5 N 1.41 4.94 -0.28 2.22 -1.09 -0.52 -4.83 121.20 123.06 1ab7 s ILE 5 Ca -0.05 -0.13 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1ab7 s ILE 5 Cb -0.12 -3.18 0.07 0.00 -1.58 0.00 0.00 42.46 37.65 1ab7 s ILE 5 CO -0.04 0.51 -0.06 0.20 -1.23 0.00 0.00 174.94 174.32 1ab7 s ASN 6 N -1.28 4.47 0.00 3.58 -0.87 -1.26 -1.26 114.94 118.32 1ab7 s ASN 6 Ca 0.18 -1.56 0.23 0.00 -1.57 0.00 0.00 52.86 50.14 1ab7 s ASN 6 Cb -0.12 -1.53 1.12 0.00 -0.02 0.00 0.00 41.25 40.70 1ab7 s ASN 6 CO 0.08 -0.24 1.76 0.61 -2.57 0.00 0.00 177.10 176.73 1ab7 n GLY 7 N 4.41 -1.11 0.12 0.66 0.00 -1.21 -1.07 105.19 107.00 1ab7 n GLY 7 Ca -0.09 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 0.66 0.15 1.61 0.00 -1.26 -4.38 120.64 116.07 1ab7 n GLU 8 Ca 0.10 0.12 0.09 0.00 0.00 0.00 0.00 57.16 57.47 1ab7 n GLU 8 Cb 0.21 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.21 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1ab7 h GLN 9 N 0.00 0.00 -5.65 5.31 4.15 -1.96 -3.41 115.11 113.55 1ab7 h GLN 9 Ca -0.56 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.25 1ab7 h GLN 9 Cb 1.92 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 29.48 1ab7 h GLN 9 CO -0.07 0.11 0.64 0.42 -1.93 0.00 0.00 178.83 178.00 1ab7 s ILE 10 N -3.19 4.22 0.09 2.39 -1.09 -0.23 -4.87 121.20 118.52 1ab7 s ILE 10 Ca 0.03 -0.16 -0.18 0.00 -2.23 0.00 0.00 60.65 58.11 1ab7 s ILE 10 Cb 0.07 -4.71 -0.07 0.00 -1.58 0.00 0.00 42.46 36.16 1ab7 s ILE 10 CO 0.73 -1.50 1.53 0.03 -1.23 0.00 0.00 174.94 174.50 1ab7 h ARG 11 N 9.63 0.48 -4.18 2.79 3.08 -1.88 -3.45 114.38 120.85 1ab7 h ARG 11 Ca -0.28 -0.15 -0.16 0.00 0.07 0.00 0.00 59.98 59.46 1ab7 h ARG 11 Cb 1.07 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.95 1ab7 h ARG 11 CO 1.19 0.64 -0.42 -1.54 -1.07 0.00 0.00 179.97 178.77 1ab7 s SER 12 N -5.98 0.07 0.62 7.04 1.04 -1.26 -4.87 113.70 110.36 1ab7 s SER 12 Ca -0.14 -1.16 0.26 0.00 0.48 0.00 0.00 55.95 55.39 1ab7 s SER 12 Cb 0.08 0.45 1.28 0.00 0.10 0.00 0.00 66.02 67.93 1ab7 s SER 12 CO 0.75 -0.94 1.71 -0.29 0.98 0.00 0.00 173.24 175.45 1ab7 h ILE 13 N 2.50 0.18 -0.17 -1.02 6.09 -1.90 0.12 117.51 123.31 1ab7 h ILE 13 Ca -0.32 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.20 1ab7 h ILE 13 Cb 1.24 0.46 -0.03 0.00 0.47 0.00 0.00 36.82 38.96 1ab7 h ILE 13 CO 0.47 0.00 -0.01 0.28 -3.07 0.00 0.00 178.15 175.82 1ab7 h SER 14 N 0.00 -0.08 1.04 2.19 0.02 -1.98 0.50 113.55 115.24 1ab7 h SER 14 Ca 0.20 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1ab7 h SER 14 Cb 1.46 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1ab7 h SER 14 CO -0.00 -0.02 0.00 0.44 -1.14 0.00 0.00 176.83 176.11 1ab7 h ASP 15 N 0.04 0.00 0.58 3.07 5.19 -1.15 -3.20 116.42 120.95 1ab7 h ASP 15 Ca 0.08 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1ab7 h ASP 15 Cb 0.10 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.62 1ab7 h ASP 15 CO -0.14 0.00 -0.28 0.25 -3.12 0.00 0.00 179.24 175.95 1ab7 h LEU 16 N 0.00 -0.66 -2.03 1.55 5.85 -0.63 -0.53 115.31 118.87 1ab7 h LEU 16 Ca 0.00 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1ab7 h LEU 16 Cb 0.52 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1ab7 h LEU 16 CO 0.00 -0.28 0.38 0.45 -0.34 0.00 0.00 178.44 178.64 1ab7 h HIS 17 N -1.09 0.00 0.17 1.25 3.86 -1.39 0.40 115.15 118.34 1ab7 h HIS 17 Ca -0.08 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.84 1ab7 h HIS 17 Cb 0.65 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.14 1ab7 h HIS 17 CO 0.01 0.00 -1.31 1.96 0.86 0.00 0.00 177.93 179.45 1ab7 h GLN 18 N 0.00 0.38 -0.52 2.45 4.20 -1.52 -0.40 115.11 119.70 1ab7 h GLN 18 Ca 0.13 -0.63 -0.09 0.00 0.06 0.00 0.00 58.65 58.13 1ab7 h GLN 18 Cb 0.89 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1ab7 h GLN 18 CO -0.00 1.30 -0.04 1.15 -0.67 0.00 0.00 178.83 180.57 1ab7 h THR 19 N 0.11 1.26 0.01 -0.54 2.02 0.14 0.16 112.91 116.06 1ab7 h THR 19 Ca -0.17 -1.12 -0.24 0.00 0.77 0.00 0.00 66.41 65.64 1ab7 h THR 19 Cb 2.02 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 69.34 1ab7 h THR 19 CO 0.23 0.40 -0.99 -0.07 0.37 0.00 0.00 175.52 175.46 1ab7 h LEU 20 N 0.82 0.65 -2.06 2.58 3.38 -1.25 -1.47 115.31 117.95 1ab7 h LEU 20 Ca 0.15 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1ab7 h LEU 20 Cb 0.54 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ab7 h LEU 20 CO 0.03 1.33 -0.09 0.50 0.09 0.00 0.00 178.44 180.30 1ab7 h LYS 21 N 0.27 0.00 0.00 1.13 3.64 -0.60 0.87 116.57 121.89 1ab7 h LYS 21 Ca -0.10 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 1ab7 h LYS 21 Cb 1.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 1ab7 h LYS 21 CO 0.18 0.09 -0.49 -0.22 -2.27 0.00 0.00 179.45 176.74 1ab7 h LYS 22 N 0.00 0.00 0.41 1.90 3.64 -0.38 -0.26 116.57 121.89 1ab7 h LYS 22 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1ab7 h LYS 22 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1ab7 h LYS 22 CO 0.01 0.75 -0.20 1.05 -2.27 0.00 0.00 179.45 178.80 1ab7 h GLU 23 N -1.00 -0.53 0.00 1.90 4.11 -1.16 -2.75 114.58 115.15 1ab7 h GLU 23 Ca -0.12 0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 1ab7 h GLU 23 Cb 0.91 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1ab7 h GLU 23 CO -0.07 -0.24 -0.10 -0.07 0.07 0.00 0.00 179.01 178.60 1ab7 h LEU 24 N -0.81 0.00 -1.98 3.06 3.38 -1.03 -3.46 115.31 114.47 1ab7 h LEU 24 Ca -0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 1ab7 h LEU 24 Cb 0.54 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.40 1ab7 h LEU 24 CO 0.09 0.10 -0.47 0.00 0.09 0.00 0.00 178.44 178.25 1ab7 n ALA 25 N -2.18 -1.32 -1.45 1.53 0.00 -0.63 -4.72 120.51 111.75 1ab7 n ALA 25 Ca -0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1ab7 n ALA 25 Cb 0.31 -2.10 0.12 0.00 0.00 0.00 0.00 19.45 17.78 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 -4.58 2.32 0.00 0.00 1.43 -0.20 -4.99 118.68 112.66 1ab7 s LEU 26 Ca 0.06 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1ab7 s LEU 26 Cb -0.01 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1ab7 s LEU 26 CO 0.44 -2.33 0.00 -0.81 0.23 0.00 0.00 176.35 173.88 1ab7 n PRO 27 N -3.66 0.42 -0.06 1.29 -0.04 -1.26 -4.92 135.00 126.77 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 0.57 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 0.03 0.00 0.54 4.57 -2.01 -3.24 114.58 114.48 1ab7 h GLU 28 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 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 1.03 0.00 2.48 -1.18 0.00 0.00 179.01 181.34 1ab7 n TYR 29 N -4.56 0.23 -0.69 0.92 0.18 -1.26 -4.81 117.16 107.17 1ab7 n TYR 29 Ca -0.10 0.11 -0.27 0.00 1.88 0.00 0.00 57.90 59.51 1ab7 n TYR 29 Cb 0.52 -0.68 -0.04 0.00 -0.38 0.00 0.00 39.34 38.76 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 -1.73 0.69 -2.44 -3.48 9.36 -1.22 -4.77 117.16 113.57 1ab7 n TYR 30 Ca 0.01 0.45 -0.42 0.00 3.32 0.00 0.00 57.90 61.26 1ab7 n TYR 30 Cb 0.06 -0.91 -0.03 0.00 -0.63 0.00 0.00 39.34 37.83 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 1.36 2.24 -1.38 2.98 0.00 -1.26 -4.92 107.32 106.35 1ab7 s GLY 31 Ca 0.44 0.73 -0.16 0.00 0.00 0.00 0.00 44.72 45.73 1ab7 s GLY 31 CO 0.33 2.14 1.98 -2.21 0.00 0.00 0.00 173.10 175.34 1ab7 n GLU 32 N 4.64 3.05 -3.64 2.90 0.00 -1.26 -4.05 120.64 122.28 1ab7 n GLU 32 Ca 0.10 -2.97 -0.01 0.00 0.00 0.00 0.00 57.16 54.29 1ab7 n GLU 32 Cb 0.46 -3.36 0.02 0.00 0.00 0.00 0.00 31.44 28.56 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 7.00 -1.38 -0.00 4.31 0.23 -1.26 -5.00 115.26 119.16 1ab7 n ASN 33 Ca 0.50 -1.62 0.14 0.00 -0.53 0.00 0.00 54.58 53.08 1ab7 n ASN 33 Cb 0.42 2.22 0.66 0.00 -2.08 0.00 0.00 39.78 41.00 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ab7 n LEU 34 N 0.00 0.02 -0.07 -4.53 7.99 -1.26 -1.77 117.00 117.38 1ab7 n LEU 34 Ca -0.00 0.40 -0.11 0.00 -0.01 0.00 0.00 56.01 56.29 1ab7 n LEU 34 Cb 0.51 -0.41 -0.10 0.00 -0.11 0.00 0.00 43.42 43.32 1ab7 n LEU 34 CO 0.17 0.00 0.21 -2.24 -1.51 0.00 0.00 177.39 174.02 1ab7 h ASP 35 N 0.01 0.00 0.63 -1.43 2.03 -1.94 -0.79 116.42 114.93 1ab7 h ASP 35 Ca 0.00 -0.71 -0.18 0.00 -0.73 0.00 0.00 57.03 55.41 1ab7 h ASP 35 Cb 0.42 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.90 1ab7 h ASP 35 CO 0.00 0.92 -0.80 0.00 -1.03 0.00 0.00 179.24 178.34 1ab7 h ALA 36 N -0.29 0.65 0.12 4.15 0.00 -1.77 0.56 119.26 122.68 1ab7 h ALA 36 Ca -0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1ab7 h ALA 36 Cb 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ab7 h ALA 36 CO -0.02 0.91 -0.06 1.25 0.00 0.00 0.00 179.25 181.33 1ab7 h LEU 37 N 0.07 -0.14 -1.39 0.00 5.85 -1.48 0.25 115.31 118.47 1ab7 h LEU 37 Ca -0.02 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1ab7 h LEU 37 Cb 1.40 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1ab7 h LEU 37 CO 0.11 0.34 0.43 -0.25 -0.34 0.00 0.00 178.44 178.73 1ab7 h TRP 38 N -0.66 0.78 -0.05 1.25 2.91 -1.16 0.43 115.95 119.43 1ab7 h TRP 38 Ca -0.02 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 1ab7 h TRP 38 Cb 0.50 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 1ab7 h TRP 38 CO 0.08 0.47 -0.21 -0.44 -1.03 0.00 0.00 178.44 177.31 1ab7 h ASP 39 N 0.82 0.08 0.00 2.65 3.32 -0.61 -0.91 116.42 121.78 1ab7 h ASP 39 Ca 0.25 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1ab7 h ASP 39 Cb -0.02 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1ab7 h ASP 39 CO -0.06 0.30 -0.01 0.00 -1.72 0.00 0.00 179.24 177.76 1ab7 h ALA 40 N 1.71 0.00 -0.89 3.45 0.00 0.32 -3.33 119.26 120.51 1ab7 h ALA 40 Ca 0.01 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.15 1ab7 h ALA 40 Cb 0.43 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.05 1ab7 h ALA 40 CO 0.03 0.01 0.06 1.28 0.00 0.00 0.00 179.25 180.62 1ab7 n LEU 41 N -2.31 -0.07 -1.68 0.00 4.77 0.82 0.18 117.00 118.71 1ab7 n LEU 41 Ca -0.00 1.52 -0.05 0.00 -0.03 0.00 0.00 56.01 57.45 1ab7 n LEU 41 Cb 0.00 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.48 1ab7 n LEU 41 CO 0.00 -1.55 1.19 0.35 -1.33 0.00 0.00 177.39 176.06 1ab7 n THR 42 N -5.28 2.34 0.00 -5.08 -2.24 -0.35 -4.07 114.28 99.60 1ab7 n THR 42 Ca 0.22 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1ab7 n THR 42 Cb 0.73 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 1ab7 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ab7 n GLY 43 N 1.70 0.00 0.51 3.38 0.00 0.48 -4.92 105.19 106.35 1ab7 n GLY 43 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.63 0.06 1.61 -0.00 0.32 -4.81 117.44 113.99 1ab7 n TRP 44 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.50 57.68 1ab7 n TRP 44 Cb 0.00 0.13 0.69 0.00 -0.00 0.00 0.00 31.31 32.13 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 0.75 -2.12 5.87 2.07 -1.70 -3.48 116.25 117.65 1ab7 h VAL 45 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ab7 h VAL 45 Cb 0.00 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1ab7 h VAL 45 CO 0.00 0.00 -0.40 1.21 0.02 0.00 0.00 177.57 178.40 1ab7 n GLU 46 N -4.36 -2.28 -4.51 1.57 2.13 -1.26 -4.57 120.64 107.37 1ab7 n GLU 46 Ca 0.07 1.80 -0.25 0.00 0.66 0.00 0.00 57.16 59.44 1ab7 n GLU 46 Cb 0.50 -1.76 -0.10 0.00 0.27 0.00 0.00 31.44 30.35 1ab7 n GLU 46 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1ab7 s TYR 47 N -0.69 2.35 0.46 4.31 2.02 -1.26 -3.67 117.35 120.86 1ab7 s TYR 47 Ca 0.00 -0.42 -0.23 0.00 -0.37 0.00 0.00 57.07 56.05 1ab7 s TYR 47 Cb 0.00 -1.20 -0.08 0.00 -0.40 0.00 0.00 41.96 40.28 1ab7 s TYR 47 CO 0.00 0.64 1.13 -1.25 -1.57 0.00 0.00 175.55 174.50 1ab7 s PRO 48 N -3.57 3.80 0.23 -1.71 0.04 -1.26 -4.80 135.00 127.74 1ab7 s PRO 48 Ca 0.31 1.68 0.11 0.00 0.04 0.00 0.00 61.00 63.14 1ab7 s PRO 48 Cb -0.01 -2.37 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1ab7 s PRO 48 CO 0.16 -0.49 -0.19 -1.17 0.04 0.00 0.00 177.00 175.34 1ab7 s LEU 49 N -3.06 2.53 -0.32 -3.56 2.96 -0.40 -0.17 118.68 116.66 1ab7 s LEU 49 Ca 0.64 -0.97 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1ab7 s LEU 49 Cb -0.26 -0.99 0.09 0.00 0.50 0.00 0.00 46.19 45.53 1ab7 s LEU 49 CO 0.31 0.01 0.02 -0.69 -1.32 0.00 0.00 176.35 174.68 1ab7 s VAL 50 N -2.36 2.35 -1.40 1.68 1.01 0.38 -0.29 120.40 121.77 1ab7 s VAL 50 Ca 0.25 -2.13 -0.12 0.00 0.00 0.00 0.00 61.98 59.98 1ab7 s VAL 50 Cb -0.05 -2.64 0.08 0.00 0.00 0.00 0.00 36.38 33.78 1ab7 s VAL 50 CO 0.11 -0.46 2.13 -0.11 0.00 0.00 0.00 175.10 176.77 1ab7 n LEU 51 N 4.33 6.87 -4.57 3.92 7.94 0.09 0.75 117.00 136.32 1ab7 n LEU 51 Ca -0.01 -4.34 -0.20 0.00 -1.11 0.00 0.00 56.01 50.34 1ab7 n LEU 51 Cb 0.42 -1.59 -0.08 0.00 0.53 0.00 0.00 43.42 42.71 1ab7 n LEU 51 CO 0.23 1.25 1.28 -0.70 -1.11 0.00 0.00 177.39 178.33 1ab7 s GLU 52 N 2.08 1.88 -0.58 1.96 2.12 0.14 -1.60 118.70 124.70 1ab7 s GLU 52 Ca 0.45 -0.37 -0.28 0.00 0.36 0.00 0.00 54.97 55.13 1ab7 s GLU 52 Cb 0.13 -5.02 0.03 0.00 0.26 0.00 0.00 34.13 29.53 1ab7 s GLU 52 CO -0.06 -4.45 1.19 -0.46 -0.54 0.00 0.00 175.26 170.94 1ab7 s TRP 53 N 13.59 2.61 0.21 5.30 -0.11 -1.26 -1.44 118.94 137.84 1ab7 s TRP 53 Ca 0.78 0.39 -0.30 0.00 1.22 0.00 0.00 56.10 58.20 1ab7 s TRP 53 Cb -0.06 -4.51 -0.08 0.00 -1.50 0.00 0.00 33.47 27.32 1ab7 s TRP 53 CO 0.11 -1.59 1.08 1.03 -4.62 0.00 0.00 176.95 172.95 1ab7 s ARG 54 N 4.94 4.64 1.27 5.86 0.52 -0.39 -3.71 118.95 132.08 1ab7 s ARG 54 Ca 0.42 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 57.34 1ab7 s ARG 54 Cb -0.08 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.14 1ab7 s ARG 54 CO 0.25 0.17 0.00 1.04 0.02 0.00 0.00 175.30 176.78 1ab7 n GLN 55 N 1.99 0.00 0.00 3.54 1.13 -1.26 -3.28 117.38 119.49 1ab7 n GLN 55 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1ab7 n GLN 55 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.81 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1ab7 n PHE 56 N 0.00 0.00 0.18 1.08 7.35 -1.26 -4.75 117.46 120.06 1ab7 n PHE 56 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1ab7 n PHE 56 Cb 0.00 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.78 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 -0.50 -7.05 -4.13 4.81 -1.86 -3.27 114.58 102.57 1ab7 h GLU 57 Ca 0.00 0.03 -0.50 0.00 -0.13 0.00 0.00 59.36 58.77 1ab7 h GLU 57 Cb 0.00 0.11 0.06 0.00 0.63 0.00 0.00 28.75 29.55 1ab7 h GLU 57 CO 0.00 -0.34 0.44 1.14 -0.73 0.00 0.00 179.01 179.52 1ab7 s GLN 58 N -4.32 3.60 0.00 1.92 -2.07 -1.26 -2.76 119.66 114.77 1ab7 s GLN 58 Ca -0.08 1.61 0.00 0.00 -1.82 0.00 0.00 55.36 55.06 1ab7 s GLN 58 Cb 0.02 -2.17 0.00 0.00 -1.09 0.00 0.00 33.01 29.77 1ab7 s GLN 58 CO 0.27 -0.65 0.00 0.45 -1.32 0.00 0.00 175.29 174.05 1ab7 n SER 59 N -0.94 0.00 -0.07 12.60 2.88 -1.26 -4.68 113.62 122.15 1ab7 n SER 59 Ca 0.10 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 1ab7 n SER 59 Cb 0.50 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.95 0.00 0.00 -1.46 3.11 -1.57 -3.32 116.57 114.28 1ab7 h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ab7 h LYS 60 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1ab7 h LYS 60 CO 0.00 0.85 -0.11 0.37 -2.81 0.00 0.00 179.45 177.75 1ab7 h GLN 61 N -1.00 0.00 0.00 1.90 -0.00 -1.84 -3.18 115.11 110.98 1ab7 h GLN 61 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1ab7 h GLN 61 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.35 1ab7 h GLN 61 CO -0.01 0.00 0.00 1.28 0.00 0.00 0.00 178.83 180.10 1ab7 n LEU 62 N -2.29 0.00 0.00 -2.39 4.32 -1.25 -4.48 117.00 110.91 1ab7 n LEU 62 Ca 0.05 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.15 1ab7 n LEU 62 Cb 0.44 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1ab7 n LEU 62 CO 0.32 -0.04 0.00 1.07 -1.22 0.00 0.00 177.39 177.52 1ab7 n THR 63 N -1.10 0.00 -2.63 -5.08 5.66 -1.20 -4.88 114.28 105.05 1ab7 n THR 63 Ca 0.13 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.10 1ab7 n THR 63 Cb 0.10 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.87 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 0.20 -0.78 1.09 0.28 -1.25 -4.91 120.64 115.26 1ab7 n GLU 64 Ca 0.00 -0.59 0.00 0.00 -0.16 0.00 0.00 57.16 56.41 1ab7 n GLU 64 Cb 0.00 0.01 0.00 0.00 1.43 0.00 0.00 31.44 32.88 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 -0.45 -2.34 0.20 -1.84 5.03 -1.24 -4.98 115.26 109.64 1ab7 n ASN 65 Ca -0.22 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.16 1ab7 n ASN 65 Cb 0.63 -0.39 -0.04 0.00 -1.02 0.00 0.00 39.78 38.96 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1ab7 h GLY 66 N 0.00 -0.53 0.79 7.41 0.00 -1.91 0.23 103.07 109.06 1ab7 h GLY 66 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.56 1ab7 h GLY 66 CO 0.00 -0.19 0.29 0.00 0.00 0.00 0.00 176.54 176.64 1ab7 h ALA 67 N -1.75 0.68 0.00 3.60 0.00 -1.83 0.36 119.26 120.32 1ab7 h ALA 67 Ca -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ab7 h ALA 67 Cb 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ab7 h ALA 67 CO 0.09 -0.03 -0.00 1.49 0.00 0.00 0.00 179.25 180.79 1ab7 h GLU 68 N 0.57 0.00 0.00 0.00 4.81 -1.85 -1.38 114.58 116.73 1ab7 h GLU 68 Ca 0.22 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1ab7 h GLU 68 Cb 0.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ab7 h GLU 68 CO -0.13 0.00 -0.20 0.77 -0.73 0.00 0.00 179.01 178.72 1ab7 h SER 69 N 0.00 0.00 -0.98 1.04 0.02 0.16 -0.54 113.55 113.26 1ab7 h SER 69 Ca -0.00 -0.55 0.23 0.00 -0.84 0.00 0.00 61.79 60.63 1ab7 h SER 69 Cb 0.01 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.47 1ab7 h SER 69 CO 0.00 0.89 0.63 0.58 -1.14 0.00 0.00 176.83 177.80 1ab7 h VAL 70 N -1.00 0.62 -0.26 2.27 2.07 -1.10 0.68 116.25 119.53 1ab7 h VAL 70 Ca -0.05 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1ab7 h VAL 70 Cb 0.70 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1ab7 h VAL 70 CO -0.03 0.08 -0.24 0.25 0.02 0.00 0.00 177.57 177.66 1ab7 h LEU 71 N 0.43 0.66 -1.71 2.57 5.85 -1.29 0.19 115.31 122.01 1ab7 h LEU 71 Ca 0.53 -0.46 0.25 0.00 0.84 0.00 0.00 57.88 59.04 1ab7 h LEU 71 Cb 1.30 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1ab7 h LEU 71 CO -0.24 0.98 0.66 1.56 -0.34 0.00 0.00 178.44 181.06 1ab7 h GLN 72 N 0.34 0.20 0.12 1.25 4.20 0.20 0.75 115.11 122.17 1ab7 h GLN 72 Ca 0.04 -0.01 -0.24 0.00 0.06 0.00 0.00 58.65 58.50 1ab7 h GLN 72 Cb 0.79 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.53 1ab7 h GLN 72 CO 0.06 0.13 -1.16 0.28 -0.67 0.00 0.00 178.83 177.47 1ab7 h VAL 73 N 0.21 1.22 0.35 -0.54 2.07 -0.67 -0.44 116.25 118.45 1ab7 h VAL 73 Ca 0.49 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 1ab7 h VAL 73 Cb 1.56 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 34.21 1ab7 h VAL 73 CO -0.12 0.70 -0.30 -0.26 0.02 0.00 0.00 177.57 177.61 1ab7 h PHE 74 N -0.35 -0.79 -0.72 1.57 -1.00 0.60 0.37 116.94 116.60 1ab7 h PHE 74 Ca -0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.54 1ab7 h PHE 74 Cb 1.70 0.30 -0.04 0.00 3.61 0.00 0.00 35.95 41.52 1ab7 h PHE 74 CO 0.15 -0.44 0.46 0.00 -1.61 0.00 0.00 178.31 176.88 1ab7 h ARG 75 N -0.66 0.96 -0.04 1.51 3.08 -1.05 0.14 114.38 118.31 1ab7 h ARG 75 Ca -0.03 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1ab7 h ARG 75 Cb 0.58 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1ab7 h ARG 75 CO -0.02 0.66 0.08 0.93 -1.07 0.00 0.00 179.97 180.54 1ab7 h GLU 76 N 0.98 0.00 0.01 0.04 5.08 -0.10 0.18 114.58 120.77 1ab7 h GLU 76 Ca 0.26 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 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 -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 177.95 1ab7 h ALA 77 N 1.87 -0.01 0.00 3.43 0.00 0.24 -0.86 119.26 123.94 1ab7 h ALA 77 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ab7 h ALA 77 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ab7 h ALA 77 CO -0.00 -0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.60 1ab7 n LYS 78 N -4.73 0.09 0.00 0.00 -0.00 -0.52 0.17 118.16 113.18 1ab7 n LYS 78 Ca -0.04 0.51 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 1ab7 n LYS 78 Cb 0.18 -1.76 0.00 0.00 -0.00 0.00 0.00 35.03 33.45 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 -0.19 0.58 0.00 0.57 -4.57 120.51 115.23 1ab7 n ALA 79 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1ab7 n ALA 79 Cb 0.08 0.00 -0.07 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 -0.28 0.00 0.00 4.39 -1.16 -3.43 114.58 114.09 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 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1ab7 h GLU 80 CO 0.00 -0.19 0.00 0.41 -1.16 0.00 0.00 179.01 178.07 1ab7 n GLY 81 N -1.38 0.15 3.15 -3.84 0.00 -0.83 -5.09 105.19 97.36 1ab7 n GLY 81 Ca -0.01 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.93 -3.90 -2.83 4.61 0.00 0.46 -4.83 120.51 113.08 1ab7 n ALA 82 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 1ab7 n ALA 82 Cb 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 1ab7 n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ab7 n ASP 83 N 2.83 5.94 -4.89 0.00 -0.08 -1.26 -3.73 116.55 115.36 1ab7 n ASP 83 Ca 0.05 -3.66 -0.21 0.00 -1.51 0.00 0.00 54.79 49.46 1ab7 n ASP 83 Cb 0.50 -0.90 -0.03 0.00 2.34 0.00 0.00 41.12 43.02 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1ab7 s ILE 84 N -4.18 4.54 -0.39 5.18 1.01 -1.26 -1.27 121.20 124.82 1ab7 s ILE 84 Ca 0.43 -1.24 0.03 0.00 0.00 0.00 0.00 60.65 59.86 1ab7 s ILE 84 Cb 0.21 -3.51 0.11 0.00 0.01 0.00 0.00 42.46 39.28 1ab7 s ILE 84 CO -0.11 -0.30 0.13 -0.89 0.00 0.00 0.00 174.94 173.76 1ab7 s THR 85 N -2.11 2.02 -0.28 2.92 2.01 0.60 -4.68 115.64 116.12 1ab7 s THR 85 Ca 0.35 -2.44 -0.29 0.00 0.31 0.00 0.00 61.69 59.63 1ab7 s THR 85 Cb -0.08 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 69.97 1ab7 s THR 85 CO 0.27 -0.69 1.26 -0.63 -0.69 0.00 0.00 174.62 174.14 1ab7 s ILE 86 N 0.68 4.22 -0.10 1.82 1.09 -1.26 -0.73 121.20 126.92 1ab7 s ILE 86 Ca 0.13 1.40 -0.02 0.00 -1.10 0.00 0.00 60.65 61.06 1ab7 s ILE 86 Cb -0.21 -4.16 -0.01 0.00 -1.06 0.00 0.00 42.46 37.02 1ab7 s ILE 86 CO -0.08 -0.41 0.03 0.40 -0.10 0.00 0.00 174.94 174.78 1ab7 h ILE 87 N 5.84 0.09 0.00 2.92 5.03 -1.65 -3.47 117.51 126.27 1ab7 h ILE 87 Ca -0.25 -1.07 0.00 0.00 -0.12 0.00 0.00 64.86 63.42 1ab7 h ILE 87 Cb 1.09 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 35.05 1ab7 h ILE 87 CO 1.02 0.03 0.00 0.18 -0.68 0.00 0.00 178.15 178.70 1ab7 n LEU 88 N -4.76 0.00 0.00 1.44 4.77 -1.24 -4.85 117.00 112.35 1ab7 n LEU 88 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1ab7 n LEU 88 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1ab7 n LEU 88 CO 0.02 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.84