#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab7 s LYS 2 N 0.00 0.53 0.22 1.97 2.20 -1.26 0.37 119.74 123.77 1ab7 s LYS 2 Ca 0.00 -0.95 -0.14 0.00 -0.36 0.00 0.00 55.97 54.52 1ab7 s LYS 2 Cb 0.00 -1.61 -0.08 0.00 -1.51 0.00 0.00 37.83 34.63 1ab7 s LYS 2 CO 0.00 -1.04 0.63 0.00 -0.36 0.00 0.00 175.35 174.59 1ab7 s ALA 3 N 1.66 3.48 -0.05 3.13 0.00 0.19 -4.85 121.76 125.33 1ab7 s ALA 3 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 1ab7 s ALA 3 Cb -0.18 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.35 1ab7 s ALA 3 CO -0.25 0.41 0.04 0.08 0.00 0.00 0.00 175.76 176.04 1ab7 s VAL 4 N -1.69 0.04 -0.21 0.00 1.01 -1.26 -0.61 120.40 117.68 1ab7 s VAL 4 Ca 0.45 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.58 1ab7 s VAL 4 Cb -0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1ab7 s VAL 4 CO 0.20 0.19 0.39 -0.63 0.00 0.00 0.00 175.10 175.24 1ab7 s ILE 5 N 1.92 5.20 -0.42 2.22 -1.09 -0.47 -4.90 121.20 123.66 1ab7 s ILE 5 Ca 0.02 0.67 -0.01 0.00 -2.23 0.00 0.00 60.65 59.10 1ab7 s ILE 5 Cb -0.12 -3.72 0.11 0.00 -1.58 0.00 0.00 42.46 37.15 1ab7 s ILE 5 CO -0.03 0.24 0.20 0.20 -1.23 0.00 0.00 174.94 174.32 1ab7 s ASN 6 N 1.13 5.11 0.00 3.58 0.01 -1.26 -0.48 114.94 123.03 1ab7 s ASN 6 Ca 0.18 -2.19 0.15 0.00 -0.71 0.00 0.00 52.86 50.29 1ab7 s ASN 6 Cb -0.15 -1.78 0.70 0.00 0.41 0.00 0.00 41.25 40.42 1ab7 s ASN 6 CO 0.08 -0.48 1.45 0.61 -1.51 0.00 0.00 177.10 177.25 1ab7 n GLY 7 N 4.34 -0.90 0.07 0.66 0.00 -1.25 -1.25 105.19 106.86 1ab7 n GLY 7 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.40 0.21 0.00 1.61 2.13 -1.26 -3.86 120.64 118.07 1ab7 n GLU 8 Ca 0.05 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1ab7 n GLU 8 Cb 0.15 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.15 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1ab7 n GLN 9 N -2.05 0.37 -2.17 5.31 -0.06 -0.72 -4.93 117.38 113.13 1ab7 n GLN 9 Ca 0.05 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.69 1ab7 n GLN 9 Cb 0.41 -0.98 -0.03 0.00 -4.06 0.00 0.00 30.24 25.58 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 -1.93 3.48 0.17 1.69 -1.09 -0.38 -4.80 121.20 118.34 1ab7 s ILE 10 Ca 0.00 0.05 -0.14 0.00 -2.23 0.00 0.00 60.65 58.33 1ab7 s ILE 10 Cb 0.00 -4.21 0.06 0.00 -1.58 0.00 0.00 42.46 36.74 1ab7 s ILE 10 CO 0.00 -1.16 1.81 0.03 -1.23 0.00 0.00 174.94 174.39 1ab7 h ARG 11 N 12.94 0.72 -3.96 2.79 3.08 -1.90 -3.46 114.38 124.59 1ab7 h ARG 11 Ca -0.15 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 59.62 1ab7 h ARG 11 Cb 1.10 -0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.92 1ab7 h ARG 11 CO 1.24 0.51 -0.15 0.45 -1.07 0.00 0.00 179.97 180.95 1ab7 s SER 12 N -5.75 0.63 0.60 7.04 0.15 -1.26 -4.98 113.70 110.13 1ab7 s SER 12 Ca -0.13 -1.36 0.31 0.00 0.70 0.00 0.00 55.95 55.47 1ab7 s SER 12 Cb 0.12 0.66 1.67 0.00 -1.71 0.00 0.00 66.02 66.76 1ab7 s SER 12 CO 0.75 -1.29 1.93 -0.29 1.20 0.00 0.00 173.24 175.54 1ab7 h ILE 13 N 2.14 0.00 -0.57 6.45 6.09 -1.89 0.06 117.51 129.80 1ab7 h ILE 13 Ca -0.28 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.22 1ab7 h ILE 13 Cb 1.24 0.68 -0.03 0.00 0.47 0.00 0.00 36.82 39.18 1ab7 h ILE 13 CO 0.39 0.00 0.37 -1.28 -3.07 0.00 0.00 178.15 174.55 1ab7 h SER 14 N 0.00 0.62 1.23 2.19 0.87 -1.97 -0.48 113.55 116.02 1ab7 h SER 14 Ca 0.00 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1ab7 h SER 14 Cb 0.44 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1ab7 h SER 14 CO 0.00 0.44 -0.22 0.44 -0.53 0.00 0.00 176.83 176.96 1ab7 h ASP 15 N 0.74 0.00 0.13 6.23 3.32 -1.36 -3.12 116.42 122.36 1ab7 h ASP 15 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1ab7 h ASP 15 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1ab7 h ASP 15 CO -0.07 0.22 -0.06 0.25 -1.72 0.00 0.00 179.24 177.86 1ab7 h LEU 16 N 0.00 -0.15 -2.10 1.55 5.85 -0.95 -0.19 115.31 119.32 1ab7 h LEU 16 Ca -0.00 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1ab7 h LEU 16 Cb 0.90 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1ab7 h LEU 16 CO 0.03 0.04 0.32 0.45 -0.34 0.00 0.00 178.44 178.94 1ab7 h HIS 17 N -0.34 0.00 0.07 1.25 3.86 -1.22 0.30 115.15 119.07 1ab7 h HIS 17 Ca -0.02 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.94 1ab7 h HIS 17 Cb 0.27 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1ab7 h HIS 17 CO -0.02 0.00 -1.18 1.96 0.86 0.00 0.00 177.93 179.55 1ab7 h GLN 18 N 0.00 0.15 -0.18 2.45 4.20 -1.23 0.44 115.11 120.95 1ab7 h GLN 18 Ca 0.13 -0.26 -0.18 0.00 0.06 0.00 0.00 58.65 58.40 1ab7 h GLN 18 Cb 0.77 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 1ab7 h GLN 18 CO -0.00 1.11 -0.62 1.15 -0.67 0.00 0.00 178.83 179.79 1ab7 h THR 19 N 0.04 1.32 0.11 -0.54 2.02 0.13 0.48 112.91 116.46 1ab7 h THR 19 Ca -0.10 -1.88 -0.27 0.00 0.77 0.00 0.00 66.41 64.93 1ab7 h THR 19 Cb 1.90 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 70.15 1ab7 h THR 19 CO 0.17 0.59 -1.25 -0.07 0.37 0.00 0.00 175.52 175.33 1ab7 h LEU 20 N 0.46 0.37 -0.94 2.58 3.38 -1.31 -1.47 115.31 118.39 1ab7 h LEU 20 Ca -0.01 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1ab7 h LEU 20 Cb 1.20 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ab7 h LEU 20 CO 0.12 1.32 -0.04 0.50 0.09 0.00 0.00 178.44 180.43 1ab7 h LYS 21 N 0.06 0.00 0.09 1.13 3.64 -0.81 0.10 116.57 120.79 1ab7 h LYS 21 Ca -0.13 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.98 1ab7 h LYS 21 Cb 1.95 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.76 1ab7 h LYS 21 CO 0.19 0.04 -1.40 -0.22 -2.27 0.00 0.00 179.45 175.79 1ab7 h LYS 22 N 0.00 0.20 0.01 1.90 1.63 0.07 -1.45 116.57 118.93 1ab7 h LYS 22 Ca -0.00 -0.34 -0.00 0.00 -0.85 0.00 0.00 60.65 59.46 1ab7 h LYS 22 Cb 0.71 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1ab7 h LYS 22 CO 0.01 1.16 -0.00 0.93 -3.45 0.00 0.00 179.45 178.10 1ab7 h GLU 23 N -0.39 -0.01 0.00 1.90 4.39 -1.26 -3.26 114.58 115.95 1ab7 h GLU 23 Ca -0.31 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 1ab7 h GLU 23 Cb 1.69 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.34 1ab7 h GLU 23 CO 0.02 0.83 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.56 1ab7 h LEU 24 N -0.92 0.00 -1.55 1.33 3.38 -1.00 -3.47 115.31 113.09 1ab7 h LEU 24 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1ab7 h LEU 24 Cb 0.85 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.73 1ab7 h LEU 24 CO 0.00 0.07 -0.64 0.00 0.09 0.00 0.00 178.44 177.97 1ab7 n ALA 25 N -2.13 -1.60 -1.18 1.53 0.00 -0.58 -4.76 120.51 111.80 1ab7 n ALA 25 Ca 0.02 0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1ab7 n ALA 25 Cb 0.42 -2.63 0.15 0.00 0.00 0.00 0.00 19.45 17.39 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 -5.82 2.09 0.80 0.00 1.43 -1.02 -4.99 118.68 111.17 1ab7 s LEU 26 Ca 0.09 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.50 1ab7 s LEU 26 Cb -0.04 -3.78 0.07 0.00 0.03 0.00 0.00 46.19 42.46 1ab7 s LEU 26 CO 0.62 -2.78 1.11 -2.16 0.23 0.00 0.00 176.35 173.37 1ab7 s PRO 27 N -4.93 2.10 0.08 1.29 0.04 -1.26 -4.91 135.00 127.40 1ab7 s PRO 27 Ca 0.64 0.48 -0.26 0.00 0.04 0.00 0.00 61.00 61.90 1ab7 s PRO 27 Cb -0.18 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1ab7 s PRO 27 CO 0.57 -1.57 1.41 1.05 0.04 0.00 0.00 177.00 178.50 1ab7 h GLU 28 N -1.05 -0.54 0.00 4.56 4.11 -2.00 0.35 114.58 120.01 1ab7 h GLU 28 Ca -0.47 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1ab7 h GLU 28 Cb 1.28 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1ab7 h GLU 28 CO 0.62 -0.36 0.07 2.48 0.07 0.00 0.00 179.01 181.88 1ab7 n TYR 29 N -4.68 0.59 -0.42 2.06 0.18 -1.26 -4.77 117.16 108.86 1ab7 n TYR 29 Ca -0.06 0.31 -0.18 0.00 1.88 0.00 0.00 57.90 59.84 1ab7 n TYR 29 Cb 0.31 -0.95 -0.04 0.00 -0.38 0.00 0.00 39.34 38.28 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 -2.12 0.34 0.00 -3.48 9.36 0.11 -4.84 117.16 116.52 1ab7 n TYR 30 Ca -0.01 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.43 1ab7 n TYR 30 Cb 0.09 -0.75 0.00 0.00 -0.63 0.00 0.00 39.34 38.06 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 2.36 -1.59 0.00 2.98 0.00 -1.26 -4.98 105.19 102.70 1ab7 n GLY 31 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 1.61 -0.00 -1.26 -4.96 120.64 116.03 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 0.09 0.00 0.00 0.00 177.13 177.22 1ab7 n ASN 33 N 0.00 0.00 -0.00 -1.84 3.02 -1.26 -4.55 115.26 110.62 1ab7 n ASN 33 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 1ab7 n ASN 33 Cb 0.00 0.00 0.61 0.00 -0.61 0.00 0.00 39.78 39.78 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ab7 n LEU 34 N 0.00 0.07 -0.05 3.41 -0.00 -1.26 -2.91 117.00 116.26 1ab7 n LEU 34 Ca 0.00 0.40 -0.01 0.00 -0.00 0.00 0.00 56.01 56.40 1ab7 n LEU 34 Cb 0.00 -0.43 -0.00 0.00 -0.00 0.00 0.00 43.42 42.99 1ab7 n LEU 34 CO 0.00 0.02 -0.09 -2.24 -0.00 0.00 0.00 177.39 175.07 1ab7 h ASP 35 N 0.02 0.00 -0.16 1.45 2.03 -1.97 -3.06 116.42 114.74 1ab7 h ASP 35 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 1ab7 h ASP 35 Cb 0.46 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1ab7 h ASP 35 CO 0.00 0.53 -0.13 0.00 -1.03 0.00 0.00 179.24 178.60 1ab7 h ALA 36 N -1.08 0.23 0.50 4.15 0.00 -1.93 0.29 119.26 121.42 1ab7 h ALA 36 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ab7 h ALA 36 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ab7 h ALA 36 CO 0.00 0.10 -0.24 1.25 0.00 0.00 0.00 179.25 180.35 1ab7 h LEU 37 N 0.01 -0.57 -1.03 0.00 5.85 -1.75 0.21 115.31 118.04 1ab7 h LEU 37 Ca 0.03 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1ab7 h LEU 37 Cb 0.65 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 1ab7 h LEU 37 CO 0.03 -0.38 0.64 -0.25 -0.34 0.00 0.00 178.44 178.14 1ab7 h TRP 38 N -0.71 1.15 -0.01 1.25 -0.00 -1.59 0.55 115.95 116.60 1ab7 h TRP 38 Ca -0.07 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.83 1ab7 h TRP 38 Cb 0.54 -0.37 -0.00 0.00 -0.00 0.00 0.00 29.16 29.32 1ab7 h TRP 38 CO -0.03 0.52 -0.09 -0.44 -0.00 0.00 0.00 178.44 178.39 1ab7 h ASP 39 N 1.06 0.01 0.00 2.65 5.19 -0.21 -1.15 116.42 123.97 1ab7 h ASP 39 Ca 0.47 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 1ab7 h ASP 39 Cb 0.36 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1ab7 h ASP 39 CO -0.22 0.11 0.00 0.00 -3.12 0.00 0.00 179.24 176.01 1ab7 n ALA 40 N -2.52 0.00 -0.34 3.45 0.00 0.16 -3.67 120.51 117.59 1ab7 n ALA 40 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.40 1ab7 n ALA 40 Cb 0.17 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.89 -0.50 -2.09 0.00 4.77 0.51 0.22 117.00 118.01 1ab7 n LEU 41 Ca 0.00 1.59 -0.16 0.00 -0.03 0.00 0.00 56.01 57.41 1ab7 n LEU 41 Cb 0.00 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.59 1ab7 n LEU 41 CO 0.00 -1.46 1.49 0.35 -1.33 0.00 0.00 177.39 176.44 1ab7 n THR 42 N -5.40 2.96 0.00 -5.08 -2.24 -0.43 -4.05 114.28 100.05 1ab7 n THR 42 Ca 0.11 -1.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.00 1ab7 n THR 42 Cb 0.40 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 1.62 0.00 0.24 3.38 0.00 0.31 -4.86 105.19 105.87 1ab7 n GLY 43 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.29 -1.90 1.61 -0.00 0.59 -4.69 117.44 112.76 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 0.06 0.09 0.00 -0.00 0.00 0.00 31.31 31.46 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 -1.24 2.10 -0.22 5.87 1.01 -1.06 -4.94 120.40 121.92 1ab7 s VAL 45 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1ab7 s VAL 45 Cb 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1ab7 s VAL 45 CO 0.00 -0.04 -0.14 -0.70 0.00 0.00 0.00 175.10 174.22 1ab7 s GLU 46 N -5.57 2.44 0.44 2.72 -6.30 -1.26 -4.95 118.70 106.22 1ab7 s GLU 46 Ca 0.62 -1.10 -0.02 0.00 -2.50 0.00 0.00 54.97 51.97 1ab7 s GLU 46 Cb -0.11 -2.71 -0.02 0.00 0.00 0.00 0.00 34.13 31.29 1ab7 s GLU 46 CO 0.49 -0.43 0.69 0.71 0.02 0.00 0.00 175.26 176.74 1ab7 s TYR 47 N 1.21 3.42 0.26 5.30 2.02 -1.26 -1.84 117.35 126.45 1ab7 s TYR 47 Ca -0.03 0.48 -0.30 0.00 -0.37 0.00 0.00 57.07 56.85 1ab7 s TYR 47 Cb -0.17 -2.21 -0.09 0.00 -0.40 0.00 0.00 41.96 39.08 1ab7 s TYR 47 CO -0.08 -0.22 1.24 -1.25 -1.57 0.00 0.00 175.55 173.67 1ab7 s PRO 48 N -4.57 4.46 0.28 -1.71 0.04 -1.26 -4.72 135.00 127.51 1ab7 s PRO 48 Ca 0.46 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.60 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 0.40 -0.09 0.08 -1.17 0.04 0.00 0.00 177.00 176.26 1ab7 s LEU 49 N -0.97 3.39 -0.34 -3.56 2.96 -0.29 0.20 118.68 120.06 1ab7 s LEU 49 Ca 0.51 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1ab7 s LEU 49 Cb -0.36 -1.91 0.10 0.00 0.50 0.00 0.00 46.19 44.53 1ab7 s LEU 49 CO 0.43 -0.07 0.09 -0.69 -1.32 0.00 0.00 176.35 174.80 1ab7 s VAL 50 N -2.29 1.65 -1.42 1.68 1.01 0.16 -0.27 120.40 120.92 1ab7 s VAL 50 Ca 0.33 -2.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.18 1ab7 s VAL 50 Cb -0.06 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.16 1ab7 s VAL 50 CO 0.22 -0.66 2.26 -0.11 0.00 0.00 0.00 175.10 176.80 1ab7 n LEU 51 N 4.39 7.20 -4.57 3.92 7.94 0.31 0.55 117.00 136.75 1ab7 n LEU 51 Ca 0.02 -4.38 -0.23 0.00 -1.11 0.00 0.00 56.01 50.31 1ab7 n LEU 51 Cb 0.41 -1.57 -0.07 0.00 0.53 0.00 0.00 43.42 42.72 1ab7 n LEU 51 CO 0.18 1.42 1.33 -0.70 -1.11 0.00 0.00 177.39 178.50 1ab7 s GLU 52 N 1.87 2.09 -0.07 1.96 2.12 0.22 -1.56 118.70 125.34 1ab7 s GLU 52 Ca 0.49 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 55.02 1ab7 s GLU 52 Cb 0.14 -5.06 -0.02 0.00 0.26 0.00 0.00 34.13 29.44 1ab7 s GLU 52 CO -0.06 -4.21 1.05 -0.46 -0.54 0.00 0.00 175.26 171.04 1ab7 s TRP 53 N 12.64 3.47 0.13 5.30 -0.11 -0.77 -1.36 118.94 138.23 1ab7 s TRP 53 Ca 0.75 1.52 0.03 0.00 1.22 0.00 0.00 56.10 59.63 1ab7 s TRP 53 Cb -0.05 -3.24 -0.04 0.00 -1.50 0.00 0.00 33.47 28.64 1ab7 s TRP 53 CO 0.09 -0.47 0.17 1.03 -4.62 0.00 0.00 176.95 173.15 1ab7 s ARG 54 N 1.82 3.09 1.08 5.86 0.52 0.37 -4.46 118.95 127.22 1ab7 s ARG 54 Ca 0.51 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1ab7 s ARG 54 Cb -0.21 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.48 1ab7 s ARG 54 CO 0.21 0.53 0.00 1.04 0.02 0.00 0.00 175.30 177.10 1ab7 n GLN 55 N -0.14 0.00 0.00 3.54 1.13 -1.26 -3.86 117.38 116.79 1ab7 n GLN 55 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1ab7 n GLN 55 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.88 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 -0.41 1.08 7.35 -1.26 -4.66 117.46 119.56 1ab7 n PHE 56 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 1ab7 n PHE 56 Cb 0.00 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.73 1ab7 n PHE 56 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1ab7 n GLU 57 N 0.00 -0.43 0.18 -4.13 4.07 -1.26 0.11 120.64 119.18 1ab7 n GLU 57 Ca 0.00 1.50 -0.16 0.00 -0.06 0.00 0.00 57.16 58.44 1ab7 n GLU 57 Cb 0.00 -2.20 -0.09 0.00 -0.06 0.00 0.00 31.44 29.09 1ab7 n GLU 57 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 1ab7 h GLN 58 N 0.00 -0.78 0.00 5.31 3.07 -1.95 0.34 115.11 121.10 1ab7 h GLN 58 Ca 0.16 0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.95 1ab7 h GLN 58 Cb 0.40 0.18 0.00 0.00 0.08 0.00 0.00 27.48 28.14 1ab7 h GLN 58 CO -0.92 -0.52 0.00 0.43 0.09 0.00 0.00 178.83 177.91 1ab7 n SER 59 N -5.25 0.34 0.09 0.06 7.64 -0.72 -1.36 113.62 114.43 1ab7 n SER 59 Ca -0.09 0.66 0.01 0.00 1.01 0.00 0.00 58.87 60.46 1ab7 n SER 59 Cb 0.40 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 1ab7 n SER 59 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1ab7 h LYS 60 N 0.00 0.00 0.03 1.43 3.64 0.18 -3.37 116.57 118.49 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 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1ab7 h LYS 60 CO 0.00 0.42 -0.02 0.37 -2.27 0.00 0.00 179.45 177.95 1ab7 h GLN 61 N 0.00 -0.04 -1.04 1.90 5.75 -0.66 -3.31 115.11 117.72 1ab7 h GLN 61 Ca -0.07 0.00 0.30 0.00 -0.15 0.00 0.00 58.65 58.73 1ab7 h GLN 61 Cb 1.47 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.99 1ab7 h GLN 61 CO 0.06 -0.03 1.15 1.47 -2.65 0.00 0.00 178.83 178.83 1ab7 n LEU 62 N -3.30 0.00 0.00 -2.39 -0.00 -1.23 -4.20 117.00 105.87 1ab7 n LEU 62 Ca -0.01 0.72 0.00 0.00 -0.00 0.00 0.00 56.01 56.72 1ab7 n LEU 62 Cb 0.02 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1ab7 n LEU 62 CO 0.01 -0.72 0.00 1.07 -0.00 0.00 0.00 177.39 177.75 1ab7 n THR 63 N -3.15 0.00 -2.83 1.47 5.66 -1.24 -4.84 114.28 109.34 1ab7 n THR 63 Ca 0.23 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.19 1ab7 n THR 63 Cb 1.46 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 70.25 1ab7 n THR 63 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ab7 s GLU 64 N 4.89 1.04 0.00 1.09 -1.05 -1.26 -4.89 118.70 118.53 1ab7 s GLU 64 Ca 0.00 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 1ab7 s GLU 64 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.63 1ab7 s GLU 64 CO 0.00 -1.31 0.00 -1.71 0.95 0.00 0.00 175.26 173.19 1ab7 n ASN 65 N 3.12 -0.25 -0.05 0.83 5.15 -1.26 -4.89 115.26 117.91 1ab7 n ASN 65 Ca 0.17 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.07 1ab7 n ASN 65 Cb 0.56 -0.28 -0.02 0.00 -0.53 0.00 0.00 39.78 39.51 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1ab7 h GLY 66 N 0.00 0.24 0.30 8.20 0.00 -1.90 0.23 103.07 110.15 1ab7 h GLY 66 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ab7 h GLY 66 CO 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 176.54 176.49 1ab7 h ALA 67 N 1.17 -0.08 0.00 3.60 0.00 -1.87 -2.33 119.26 119.74 1ab7 h ALA 67 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ab7 h ALA 67 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ab7 h ALA 67 CO -0.15 -0.20 0.15 1.49 0.00 0.00 0.00 179.25 180.54 1ab7 h GLU 68 N -0.78 0.00 0.00 0.00 4.22 -1.91 -1.01 114.58 115.09 1ab7 h GLU 68 Ca -0.01 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.33 1ab7 h GLU 68 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1ab7 h GLU 68 CO 0.01 0.00 -0.76 0.77 -2.18 0.00 0.00 179.01 176.85 1ab7 h SER 69 N 0.00 0.00 -0.36 1.04 0.02 -0.44 -1.04 113.55 112.76 1ab7 h SER 69 Ca 0.00 -0.26 0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1ab7 h SER 69 Cb 0.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1ab7 h SER 69 CO 0.00 1.06 0.44 0.58 -1.14 0.00 0.00 176.83 177.77 1ab7 h VAL 70 N -1.00 0.32 0.07 2.27 2.07 -1.04 0.24 116.25 119.19 1ab7 h VAL 70 Ca -0.15 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 1ab7 h VAL 70 Cb 0.83 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1ab7 h VAL 70 CO -0.09 0.00 -0.64 0.25 0.02 0.00 0.00 177.57 177.11 1ab7 h LEU 71 N 0.00 0.24 -1.96 2.57 7.12 -1.27 -0.24 115.31 121.76 1ab7 h LEU 71 Ca 0.17 -0.92 0.29 0.00 0.13 0.00 0.00 57.88 57.55 1ab7 h LEU 71 Cb 1.05 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 41.06 1ab7 h LEU 71 CO -0.00 1.29 0.72 1.56 -0.13 0.00 0.00 178.44 181.88 1ab7 h GLN 72 N -0.65 0.02 0.02 1.25 4.20 0.82 0.56 115.11 121.33 1ab7 h GLN 72 Ca -0.13 -0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.41 1ab7 h GLN 72 Cb 1.39 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 1ab7 h GLN 72 CO 0.05 0.02 -0.89 0.28 -0.67 0.00 0.00 178.83 177.62 1ab7 h VAL 73 N 0.03 1.21 -0.33 -0.54 2.07 -1.24 -1.11 116.25 116.33 1ab7 h VAL 73 Ca 0.48 -2.27 0.07 0.00 0.82 0.00 0.00 66.70 65.81 1ab7 h VAL 73 Cb 1.89 2.67 -0.08 0.00 -1.52 0.00 0.00 31.29 34.26 1ab7 h VAL 73 CO -0.02 0.47 -0.23 -0.26 0.02 0.00 0.00 177.57 177.56 1ab7 h PHE 74 N -0.88 -0.59 -0.41 1.57 0.04 0.05 0.24 116.94 116.96 1ab7 h PHE 74 Ca -0.23 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 1ab7 h PHE 74 Cb 1.29 0.31 -0.02 0.00 2.20 0.00 0.00 35.95 39.73 1ab7 h PHE 74 CO 0.16 -0.30 0.19 0.00 -0.60 0.00 0.00 178.31 177.76 1ab7 h ARG 75 N -0.19 0.60 -0.18 1.51 3.08 -1.08 -0.58 114.38 117.55 1ab7 h ARG 75 Ca 0.17 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.18 1ab7 h ARG 75 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1ab7 h ARG 75 CO -0.44 0.53 0.30 0.93 -1.07 0.00 0.00 179.97 180.21 1ab7 h GLU 76 N 0.53 0.00 0.00 0.04 5.08 0.44 0.26 114.58 120.92 1ab7 h GLU 76 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1ab7 h GLU 76 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1ab7 h GLU 76 CO -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 177.88 1ab7 h ALA 77 N 1.57 0.01 0.00 3.43 0.00 0.90 -1.39 119.26 123.78 1ab7 h ALA 77 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ab7 h ALA 77 Cb 0.68 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ab7 h ALA 77 CO -0.00 0.09 0.00 0.36 0.00 0.00 0.00 179.25 179.70 1ab7 n LYS 78 N -4.70 0.00 -0.02 0.00 -0.00 -0.68 0.16 118.16 112.91 1ab7 n LYS 78 Ca -0.05 0.41 -0.02 0.00 -0.00 0.00 0.00 58.31 58.66 1ab7 n LYS 78 Cb 0.18 -1.51 -0.01 0.00 -0.00 0.00 0.00 35.03 33.70 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 -1.51 0.16 0.19 0.58 0.00 0.86 -4.62 120.51 116.17 1ab7 n ALA 79 Ca 0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.04 1ab7 n ALA 79 Cb 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.31 -0.77 0.00 0.00 4.39 -1.20 -3.45 114.58 113.24 1ab7 h GLU 80 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ab7 h GLU 80 Cb 0.18 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1ab7 h GLU 80 CO 0.00 -0.51 0.00 0.41 -1.16 0.00 0.00 179.01 177.75 1ab7 n GLY 81 N -1.47 0.16 3.17 -3.84 0.00 -0.75 -5.09 105.19 97.38 1ab7 n GLY 81 Ca -0.09 -0.09 -0.38 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 -1.03 -3.82 -2.62 4.61 0.00 0.42 -4.83 120.51 113.23 1ab7 n ALA 82 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 53.44 52.85 1ab7 n ALA 82 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 2.79 6.10 -4.95 0.00 9.92 -1.26 -3.68 116.55 125.47 1ab7 n ASP 83 Ca 0.05 -3.71 -0.23 0.00 -0.53 0.00 0.00 54.79 50.36 1ab7 n ASP 83 Cb 0.50 -0.86 -0.03 0.00 -0.64 0.00 0.00 41.12 40.09 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 -4.64 5.24 -0.41 0.53 1.01 -1.26 -1.14 121.20 120.52 1ab7 s ILE 84 Ca 0.45 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1ab7 s ILE 84 Cb 0.28 -3.78 0.11 0.00 0.01 0.00 0.00 42.46 39.09 1ab7 s ILE 84 CO -0.18 -0.22 0.15 -0.89 0.00 0.00 0.00 174.94 173.80 1ab7 s THR 85 N -1.88 2.62 -0.25 2.92 2.01 0.63 -4.63 115.64 117.06 1ab7 s THR 85 Ca 0.34 -2.58 -0.29 0.00 0.31 0.00 0.00 61.69 59.47 1ab7 s THR 85 Cb -0.10 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.56 1ab7 s THR 85 CO 0.28 -0.68 1.14 -0.63 -0.69 0.00 0.00 174.62 174.04 1ab7 s ILE 86 N 0.58 4.46 -0.16 1.82 1.09 -1.26 -0.53 121.20 127.20 1ab7 s ILE 86 Ca 0.12 1.73 -0.05 0.00 -1.10 0.00 0.00 60.65 61.35 1ab7 s ILE 86 Cb -0.21 -4.24 -0.03 0.00 -1.06 0.00 0.00 42.46 36.92 1ab7 s ILE 86 CO -0.05 -0.29 -0.00 -0.63 -0.10 0.00 0.00 174.94 173.87 1ab7 s ILE 87 N 3.56 4.22 -0.20 2.92 -1.09 -0.60 -4.96 121.20 125.06 1ab7 s ILE 87 Ca 0.49 -0.24 -0.05 0.00 -2.23 0.00 0.00 60.65 58.62 1ab7 s ILE 87 Cb -0.16 -2.87 0.10 0.00 -1.58 0.00 0.00 42.46 37.95 1ab7 s ILE 87 CO 0.13 0.49 0.35 -0.76 -1.23 0.00 0.00 174.94 173.92 1ab7 s LEU 88 N 0.31 -0.52 0.00 2.97 1.43 -1.26 -1.86 118.68 119.75 1ab7 s LEU 88 Ca -0.01 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1ab7 s LEU 88 Cb -0.13 1.04 0.00 0.00 0.03 0.00 0.00 46.19 47.13 1ab7 s LEU 88 CO 0.02 -0.27 0.20 -1.54 0.23 0.00 0.00 176.35 174.99