#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 1.70 -0.04 1.97 2.20 -1.26 -0.21 119.74 124.10 1ab7 s LYS 2 Ca 0.00 -1.17 -0.11 0.00 -0.36 0.00 0.00 55.97 54.34 1ab7 s LYS 2 Cb 0.00 -2.69 -0.05 0.00 -1.51 0.00 0.00 37.83 33.58 1ab7 s LYS 2 CO 0.00 -0.65 0.29 0.00 -0.36 0.00 0.00 175.35 174.63 1ab7 s ALA 3 N 1.29 3.79 -0.08 3.13 0.00 0.13 -4.86 121.76 125.16 1ab7 s ALA 3 Ca -0.04 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1ab7 s ALA 3 Cb -0.19 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.76 1ab7 s ALA 3 CO -0.07 0.56 -0.12 0.08 0.00 0.00 0.00 175.76 176.21 1ab7 s VAL 4 N -1.10 1.19 -0.38 0.00 1.01 -1.26 -0.39 120.40 119.46 1ab7 s VAL 4 Ca 0.21 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 1ab7 s VAL 4 Cb -0.14 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.14 1ab7 s VAL 4 CO 0.10 0.37 0.54 -0.63 0.00 0.00 0.00 175.10 175.48 1ab7 s ILE 5 N 0.87 4.98 -0.57 2.22 -1.09 -0.48 -4.92 121.20 122.21 1ab7 s ILE 5 Ca -0.10 0.19 -0.08 0.00 -2.23 0.00 0.00 60.65 58.42 1ab7 s ILE 5 Cb -0.15 -4.04 0.15 0.00 -1.58 0.00 0.00 42.46 36.84 1ab7 s ILE 5 CO 0.01 -0.34 0.44 0.20 -1.23 0.00 0.00 174.94 174.02 1ab7 s ASN 6 N 1.83 5.77 0.00 3.58 -0.87 -1.26 -0.52 114.94 123.47 1ab7 s ASN 6 Ca 0.19 -2.29 0.14 0.00 -1.57 0.00 0.00 52.86 49.32 1ab7 s ASN 6 Cb -0.15 -2.00 0.67 0.00 -0.02 0.00 0.00 41.25 39.74 1ab7 s ASN 6 CO 0.15 -0.59 1.41 0.61 -2.57 0.00 0.00 177.10 176.11 1ab7 n GLY 7 N 4.38 -0.84 0.10 0.66 0.00 -1.26 -1.73 105.19 106.49 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 -1.37 0.23 -0.00 1.61 2.13 -1.26 -3.64 120.64 118.33 1ab7 n GLU 8 Ca 0.05 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1ab7 n GLU 8 Cb 0.13 -1.78 -0.01 0.00 0.27 0.00 0.00 31.44 30.05 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 -2.19 0.47 -2.12 5.31 -0.06 -0.71 -4.93 117.38 113.15 1ab7 n GLN 9 Ca 0.05 -0.01 -0.40 0.00 -2.00 0.00 0.00 57.00 54.65 1ab7 n GLN 9 Cb 0.40 -1.03 -0.03 0.00 -4.06 0.00 0.00 30.24 25.52 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 -2.07 3.46 0.10 1.69 -1.09 -0.77 -4.82 121.20 117.71 1ab7 s ILE 10 Ca -0.00 0.32 -0.16 0.00 -2.23 0.00 0.00 60.65 58.58 1ab7 s ILE 10 Cb 0.01 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 1ab7 s ILE 10 CO 0.04 -0.95 1.52 0.03 -1.23 0.00 0.00 174.94 174.35 1ab7 h ARG 11 N 13.79 0.62 -4.23 2.79 3.08 -1.92 -3.46 114.38 125.06 1ab7 h ARG 11 Ca -0.27 -0.23 -0.16 0.00 0.07 0.00 0.00 59.98 59.39 1ab7 h ARG 11 Cb 1.14 -0.04 -0.14 0.00 0.08 0.00 0.00 29.97 31.02 1ab7 h ARG 11 CO 1.19 0.78 -0.49 -1.54 -1.07 0.00 0.00 179.97 178.84 1ab7 s SER 12 N -6.19 0.15 0.62 7.04 1.04 -1.26 -4.99 113.70 110.10 1ab7 s SER 12 Ca -0.13 -1.12 0.25 0.00 0.48 0.00 0.00 55.95 55.43 1ab7 s SER 12 Cb 0.09 0.38 1.19 0.00 0.10 0.00 0.00 66.02 67.78 1ab7 s SER 12 CO 0.79 -0.84 1.63 -0.29 0.98 0.00 0.00 173.24 175.51 1ab7 h ILE 13 N 2.66 0.15 0.34 -1.02 6.09 -1.89 -0.09 117.51 123.74 1ab7 h ILE 13 Ca -0.33 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.14 1ab7 h ILE 13 Cb 1.22 0.38 -0.00 0.00 0.47 0.00 0.00 36.82 38.89 1ab7 h ILE 13 CO 0.52 0.00 -0.20 -1.28 -3.07 0.00 0.00 178.15 174.13 1ab7 h SER 14 N 0.00 -0.48 0.31 2.19 0.87 -1.97 -1.03 113.55 113.43 1ab7 h SER 14 Ca 0.23 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1ab7 h SER 14 Cb 1.67 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 1ab7 h SER 14 CO -0.00 -0.32 0.00 0.44 -0.53 0.00 0.00 176.83 176.42 1ab7 h ASP 15 N -0.51 0.00 0.44 6.23 3.32 -1.40 -2.49 116.42 122.01 1ab7 h ASP 15 Ca -0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1ab7 h ASP 15 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1ab7 h ASP 15 CO 0.05 0.00 -0.21 0.25 -1.72 0.00 0.00 179.24 177.61 1ab7 h LEU 16 N 0.00 -0.50 -2.64 1.55 5.85 -1.12 0.83 115.31 119.29 1ab7 h LEU 16 Ca 0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1ab7 h LEU 16 Cb 0.15 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1ab7 h LEU 16 CO 0.00 -0.19 0.07 0.45 -0.34 0.00 0.00 178.44 178.43 1ab7 h HIS 17 N -0.92 0.00 0.04 1.25 3.86 -1.26 0.28 115.15 118.40 1ab7 h HIS 17 Ca -0.06 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.92 1ab7 h HIS 17 Cb 0.45 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1ab7 h HIS 17 CO 0.03 0.00 -1.08 1.96 0.86 0.00 0.00 177.93 179.70 1ab7 h GLN 18 N 0.00 0.08 -0.11 2.45 4.20 -1.30 0.38 115.11 120.81 1ab7 h GLN 18 Ca 0.01 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.45 1ab7 h GLN 18 Cb 0.16 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1ab7 h GLN 18 CO -0.00 1.06 -0.55 1.15 -0.67 0.00 0.00 178.83 179.82 1ab7 h THR 19 N 0.02 1.35 0.06 -0.54 2.02 0.20 0.40 112.91 116.42 1ab7 h THR 19 Ca -0.05 -1.84 -0.24 0.00 0.77 0.00 0.00 66.41 65.05 1ab7 h THR 19 Cb 1.83 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 70.10 1ab7 h THR 19 CO 0.15 0.55 -1.12 -0.07 0.37 0.00 0.00 175.52 175.40 1ab7 h LEU 20 N 0.25 0.18 -0.85 2.58 3.38 -1.22 -0.71 115.31 118.93 1ab7 h LEU 20 Ca 0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ab7 h LEU 20 Cb 1.04 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1ab7 h LEU 20 CO 0.09 1.16 -0.00 0.50 0.09 0.00 0.00 178.44 180.27 1ab7 h LYS 21 N 0.03 0.00 0.03 1.13 3.64 -0.56 -0.63 116.57 120.21 1ab7 h LYS 21 Ca -0.07 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.99 1ab7 h LYS 21 Cb 1.86 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.63 1ab7 h LYS 21 CO 0.16 0.00 -1.92 0.36 -2.27 0.00 0.00 179.45 175.79 1ab7 n LYS 22 N -3.10 0.67 -0.07 1.90 -0.00 0.14 -1.32 118.16 116.37 1ab7 n LYS 22 Ca 0.02 0.23 -0.14 0.00 -0.00 0.00 0.00 58.31 58.43 1ab7 n LYS 22 Cb 0.40 -1.72 -0.12 0.00 -0.00 0.00 0.00 35.03 33.60 1ab7 n LYS 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1ab7 h GLU 23 N 0.01 0.00 0.00 -1.58 5.08 -1.04 -3.31 114.58 113.74 1ab7 h GLU 23 Ca -0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1ab7 h GLU 23 Cb 2.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 1ab7 h GLU 23 CO 0.06 0.91 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.88 1ab7 h LEU 24 N -1.00 0.00 -2.38 1.33 3.38 -1.33 -3.47 115.31 111.84 1ab7 h LEU 24 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1ab7 h LEU 24 Cb 0.95 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.72 1ab7 h LEU 24 CO -0.02 0.03 -0.12 0.00 0.09 0.00 0.00 178.44 178.42 1ab7 n ALA 25 N -2.11 -0.52 -1.92 1.53 0.00 -1.11 -4.76 120.51 111.63 1ab7 n ALA 25 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.19 1ab7 n ALA 25 Cb 0.40 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.96 2.67 0.00 0.00 1.43 -0.44 -5.02 118.68 114.37 1ab7 s LEU 26 Ca 0.03 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1ab7 s LEU 26 Cb -0.00 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1ab7 s LEU 26 CO 0.11 -1.73 0.00 -0.81 0.23 0.00 0.00 176.35 174.14 1ab7 n PRO 27 N -3.11 -0.21 0.00 1.29 -0.04 -1.26 -4.91 135.00 126.76 1ab7 n PRO 27 Ca 0.08 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.35 1ab7 n PRO 27 Cb 0.61 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.19 0.00 0.54 4.81 -1.99 -3.30 114.58 114.83 1ab7 h GLU 28 Ca 0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1ab7 h GLU 28 Cb 0.00 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1ab7 h GLU 28 CO 0.00 1.16 0.01 2.48 -0.73 0.00 0.00 179.01 181.92 1ab7 n TYR 29 N -4.26 0.00 -1.00 0.92 0.18 -1.26 -4.80 117.16 106.94 1ab7 n TYR 29 Ca -0.15 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.31 1ab7 n TYR 29 Cb 0.73 -0.42 0.01 0.00 -0.38 0.00 0.00 39.34 39.28 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 -1.42 -2.69 -4.62 -3.48 4.19 -1.25 -4.94 117.16 102.95 1ab7 n TYR 30 Ca 0.00 0.32 -0.28 0.00 3.31 0.00 0.00 57.90 61.25 1ab7 n TYR 30 Cb 0.01 -1.37 -0.17 0.00 0.49 0.00 0.00 39.34 38.30 1ab7 n TYR 30 CO 0.00 0.00 0.00 0.20 0.91 0.00 0.00 176.86 177.97 1ab7 s GLY 31 N -0.83 1.04 -0.89 2.98 0.00 -1.26 -5.04 107.32 103.31 1ab7 s GLY 31 Ca 0.45 -0.70 -0.24 0.00 0.00 0.00 0.00 44.72 44.23 1ab7 s GLY 31 CO 0.57 0.10 2.18 1.18 0.00 0.00 0.00 173.10 177.13 1ab7 n GLU 32 N 3.99 0.28 0.00 2.90 1.02 -1.26 -4.21 120.64 123.35 1ab7 n GLU 32 Ca -0.20 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 1ab7 n GLU 32 Cb 0.52 -3.51 0.00 0.00 -0.02 0.00 0.00 31.44 28.43 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ab7 n ASN 33 N 17.82 0.00 0.00 1.62 2.04 -1.26 -4.97 115.26 130.51 1ab7 n ASN 33 Ca 0.43 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.63 1ab7 n ASN 33 Cb 0.44 0.00 0.33 0.00 -2.53 0.00 0.00 39.78 38.02 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 -0.07 -4.53 -0.00 -1.26 -1.71 117.00 109.43 1ab7 n LEU 34 Ca 0.00 0.35 -0.13 0.00 -0.00 0.00 0.00 56.01 56.23 1ab7 n LEU 34 Cb 0.00 -0.35 -0.12 0.00 -0.00 0.00 0.00 43.42 42.95 1ab7 n LEU 34 CO 0.00 -0.19 0.36 -2.24 -0.00 0.00 0.00 177.39 175.33 1ab7 h ASP 35 N 0.00 -0.00 0.29 1.45 2.03 -1.93 -0.31 116.42 117.94 1ab7 h ASP 35 Ca 0.00 -0.93 -0.21 0.00 -0.73 0.00 0.00 57.03 55.16 1ab7 h ASP 35 Cb 0.16 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1ab7 h ASP 35 CO 0.00 0.97 -0.84 0.00 -1.03 0.00 0.00 179.24 178.34 1ab7 h ALA 36 N -0.07 0.47 0.49 4.15 0.00 -1.71 0.76 119.26 123.36 1ab7 h ALA 36 Ca -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1ab7 h ALA 36 Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ab7 h ALA 36 CO 0.00 0.79 -0.24 1.25 0.00 0.00 0.00 179.25 181.05 1ab7 h LEU 37 N 0.26 -0.56 -1.23 0.00 5.85 -1.45 0.15 115.31 118.34 1ab7 h LEU 37 Ca -0.06 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.73 1ab7 h LEU 37 Cb 1.45 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.56 1ab7 h LEU 37 CO 0.15 -0.15 0.56 -0.25 -0.34 0.00 0.00 178.44 178.41 1ab7 h TRP 38 N -1.12 0.93 -0.57 1.25 -0.00 -1.13 0.60 115.95 115.90 1ab7 h TRP 38 Ca -0.07 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.86 1ab7 h TRP 38 Cb 0.56 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 29.39 1ab7 h TRP 38 CO 0.01 0.44 0.38 -0.44 -0.00 0.00 0.00 178.44 178.83 1ab7 h ASP 39 N 0.87 0.63 0.00 2.65 5.19 -0.68 -0.39 116.42 124.69 1ab7 h ASP 39 Ca 0.40 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 1ab7 h ASP 39 Cb 0.38 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1ab7 h ASP 39 CO -0.16 0.45 0.00 0.00 -3.12 0.00 0.00 179.24 176.40 1ab7 n ALA 40 N -2.45 0.00 -0.34 3.45 0.00 0.17 -3.98 120.51 117.36 1ab7 n ALA 40 Ca 0.06 -0.02 0.31 0.00 0.00 0.00 0.00 53.44 53.79 1ab7 n ALA 40 Cb 0.08 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.98 0.28 -1.40 0.00 4.77 0.95 0.17 117.00 119.79 1ab7 n LEU 41 Ca 0.00 1.43 0.00 0.00 -0.03 0.00 0.00 56.01 57.41 1ab7 n LEU 41 Cb 0.00 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1ab7 n LEU 41 CO 0.00 -1.58 0.89 0.35 -1.33 0.00 0.00 177.39 175.72 1ab7 n THR 42 N -4.88 1.78 0.00 -5.08 -2.24 -0.16 -4.28 114.28 99.43 1ab7 n THR 42 Ca 0.35 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1ab7 n THR 42 Cb 1.25 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 1.29 0.36 1.16 3.38 0.00 0.45 -4.96 105.19 106.88 1ab7 n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.06 -0.32 1.61 -0.00 0.20 -4.86 117.44 111.01 1ab7 n TRP 44 Ca 0.00 0.65 0.34 0.00 -0.00 0.00 0.00 57.50 58.49 1ab7 n TRP 44 Cb 0.00 1.85 0.58 0.00 -0.00 0.00 0.00 31.31 33.74 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 0.05 -1.13 5.87 2.07 -1.80 -3.46 116.25 117.85 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 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1ab7 h VAL 45 CO 0.00 0.00 -0.28 1.21 0.02 0.00 0.00 177.57 178.52 1ab7 n GLU 46 N -3.50 -1.39 -4.28 1.57 0.00 -1.26 -4.48 120.64 107.30 1ab7 n GLU 46 Ca 0.27 1.03 -0.15 0.00 0.00 0.00 0.00 57.16 58.32 1ab7 n GLU 46 Cb 1.56 -1.17 -0.10 0.00 0.00 0.00 0.00 31.44 31.74 1ab7 n GLU 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1ab7 s TYR 47 N -2.48 1.36 0.40 4.31 2.02 -1.26 -4.06 117.35 117.64 1ab7 s TYR 47 Ca 0.00 -0.84 -0.25 0.00 -0.37 0.00 0.00 57.07 55.62 1ab7 s TYR 47 Cb 0.00 -0.73 -0.09 0.00 -0.40 0.00 0.00 41.96 40.74 1ab7 s TYR 47 CO 0.00 0.02 1.13 -1.25 -1.57 0.00 0.00 175.55 173.87 1ab7 s PRO 48 N -3.80 4.09 0.29 -1.71 0.04 -1.26 -4.83 135.00 127.83 1ab7 s PRO 48 Ca 0.21 1.73 0.10 0.00 0.04 0.00 0.00 61.00 63.08 1ab7 s PRO 48 Cb 0.04 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 1ab7 s PRO 48 CO 0.04 -0.26 -0.05 -1.17 0.04 0.00 0.00 177.00 175.59 1ab7 s LEU 49 N -2.53 2.95 -0.32 -3.56 2.96 -0.42 -1.45 118.68 116.30 1ab7 s LEU 49 Ca 0.57 -0.87 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1ab7 s LEU 49 Cb -0.28 -1.42 0.10 0.00 0.50 0.00 0.00 46.19 45.09 1ab7 s LEU 49 CO 0.35 -0.07 0.06 -0.69 -1.32 0.00 0.00 176.35 174.68 1ab7 s VAL 50 N -2.44 1.74 -1.41 1.68 1.01 0.71 -1.04 120.40 120.65 1ab7 s VAL 50 Ca 0.32 -1.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.24 1ab7 s VAL 50 Cb -0.04 -2.28 0.07 0.00 0.00 0.00 0.00 36.38 34.14 1ab7 s VAL 50 CO 0.18 -0.60 2.25 -0.11 0.00 0.00 0.00 175.10 176.83 1ab7 n LEU 51 N 4.49 7.28 -4.57 3.92 7.94 0.06 0.21 117.00 136.33 1ab7 n LEU 51 Ca 0.01 -4.45 -0.22 0.00 -1.11 0.00 0.00 56.01 50.23 1ab7 n LEU 51 Cb 0.42 -1.54 -0.07 0.00 0.53 0.00 0.00 43.42 42.76 1ab7 n LEU 51 CO 0.18 1.49 1.32 -0.70 -1.11 0.00 0.00 177.39 178.57 1ab7 s GLU 52 N 1.46 2.13 -0.63 1.96 2.12 0.48 -1.62 118.70 124.60 1ab7 s GLU 52 Ca 0.49 -0.37 -0.28 0.00 0.36 0.00 0.00 54.97 55.17 1ab7 s GLU 52 Cb 0.14 -5.04 0.02 0.00 0.26 0.00 0.00 34.13 29.51 1ab7 s GLU 52 CO -0.05 -4.09 1.32 -0.46 -0.54 0.00 0.00 175.26 171.44 1ab7 s TRP 53 N 12.39 2.35 0.00 5.30 -0.11 -1.12 -1.38 118.94 136.37 1ab7 s TRP 53 Ca 0.76 0.30 0.00 0.00 1.22 0.00 0.00 56.10 58.38 1ab7 s TRP 53 Cb -0.06 -4.50 0.00 0.00 -1.50 0.00 0.00 33.47 27.41 1ab7 s TRP 53 CO 0.07 -1.91 0.00 0.54 -4.62 0.00 0.00 176.95 171.04 1ab7 n ARG 54 N 8.86 3.13 -1.50 5.86 1.74 0.32 -4.47 116.66 130.60 1ab7 n ARG 54 Ca 0.08 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 1ab7 n ARG 54 Cb 0.49 0.00 -0.18 0.00 -1.02 0.00 0.00 32.46 31.75 1ab7 n ARG 54 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1ab7 n GLN 55 N 0.00 0.06 0.05 5.56 7.27 -1.26 -4.68 117.38 124.38 1ab7 n GLN 55 Ca 0.00 -0.03 -0.12 0.00 0.07 0.00 0.00 57.00 56.91 1ab7 n GLN 55 Cb 0.00 -1.44 -0.13 0.00 2.41 0.00 0.00 30.24 31.07 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 1ab7 h PHE 56 N 11.89 0.23 0.00 3.69 3.57 -1.91 -3.36 116.94 131.06 1ab7 h PHE 56 Ca -0.02 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1ab7 h PHE 56 Cb 1.22 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1ab7 h PHE 56 CO 1.22 1.19 0.00 0.39 -2.23 0.00 0.00 178.31 178.88 1ab7 n GLU 57 N -3.34 0.00 -0.70 1.11 1.02 -1.26 -3.97 120.64 113.50 1ab7 n GLU 57 Ca -0.11 0.08 -0.33 0.00 -0.02 0.00 0.00 57.16 56.78 1ab7 n GLU 57 Cb 1.01 -0.60 0.16 0.00 -0.02 0.00 0.00 31.44 32.00 1ab7 n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ab7 n GLN 58 N -0.18 -1.49 0.00 3.49 -0.00 -1.26 -2.59 117.38 115.35 1ab7 n GLN 58 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 57.00 56.58 1ab7 n GLN 58 Cb 0.00 -1.63 0.00 0.00 -0.00 0.00 0.00 30.24 28.61 1ab7 n GLN 58 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1ab7 n SER 59 N -1.22 0.00 0.06 2.61 3.41 -1.26 -4.59 113.62 112.63 1ab7 n SER 59 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1ab7 n SER 59 Cb 0.64 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 1ab7 n SER 59 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ab7 h LYS 60 N 0.00 0.00 0.00 4.33 3.11 -1.62 -3.38 116.57 119.01 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 0.57 -0.02 1.96 -2.81 0.00 0.00 179.45 179.15 1ab7 h GLN 61 N 0.00 0.00 -1.04 1.90 7.50 -1.81 -3.13 115.11 118.53 1ab7 h GLN 61 Ca -0.09 0.00 0.30 0.00 0.50 0.00 0.00 58.65 59.36 1ab7 h GLN 61 Cb 1.64 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 29.13 1ab7 h GLN 61 CO 0.08 0.00 1.13 1.47 -1.50 0.00 0.00 178.83 180.01 1ab7 n LEU 62 N -4.07 0.00 0.00 1.46 -0.00 -1.26 -3.05 117.00 110.08 1ab7 n LEU 62 Ca -0.00 0.71 0.00 0.00 -0.00 0.00 0.00 56.01 56.72 1ab7 n LEU 62 Cb 0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 1ab7 n LEU 62 CO 0.00 -0.71 0.00 1.07 -0.00 0.00 0.00 177.39 177.76 1ab7 n THR 63 N -3.13 0.00 0.00 1.47 5.66 -1.25 -5.01 114.28 112.02 1ab7 n THR 63 Ca 0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 1ab7 n THR 63 Cb 1.44 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.88 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 0.00 1.09 0.28 -1.17 -4.96 120.64 115.88 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 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 0.00 0.00 -0.04 -1.84 3.02 -1.26 -5.00 115.26 110.14 1ab7 n ASN 65 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ab7 n ASN 65 Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ab7 h GLY 66 N 0.00 0.00 1.36 7.41 0.00 -1.89 -2.98 103.07 106.96 1ab7 h GLY 66 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1ab7 h GLY 66 CO 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.30 1ab7 h ALA 67 N -1.20 0.89 -0.15 3.60 0.00 -1.86 -1.71 119.26 118.83 1ab7 h ALA 67 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ab7 h ALA 67 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ab7 h ALA 67 CO 0.00 0.63 0.10 0.93 0.00 0.00 0.00 179.25 180.90 1ab7 h GLU 68 N 0.64 0.19 0.07 0.00 4.39 -1.89 -1.77 114.58 116.21 1ab7 h GLU 68 Ca 0.09 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.59 1ab7 h GLU 68 Cb 0.75 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1ab7 h GLU 68 CO 0.06 0.13 -0.93 1.03 -1.16 0.00 0.00 179.01 178.14 1ab7 h SER 69 N 0.20 0.23 -0.51 1.42 0.87 -1.30 -1.60 113.55 112.86 1ab7 h SER 69 Ca 0.05 -0.84 0.15 0.00 -1.23 0.00 0.00 61.79 59.92 1ab7 h SER 69 Cb -0.02 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1ab7 h SER 69 CO -0.01 1.40 0.50 0.58 -0.53 0.00 0.00 176.83 178.77 1ab7 h VAL 70 N -0.62 0.40 0.00 2.23 2.07 -1.14 0.55 116.25 119.75 1ab7 h VAL 70 Ca -0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1ab7 h VAL 70 Cb 1.47 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1ab7 h VAL 70 CO 0.01 0.00 -0.06 0.25 0.02 0.00 0.00 177.57 177.79 1ab7 h LEU 71 N 0.00 0.00 -1.75 2.57 5.85 -1.32 -0.15 115.31 120.51 1ab7 h LEU 71 Ca 0.24 -0.71 0.20 0.00 0.84 0.00 0.00 57.88 58.44 1ab7 h LEU 71 Cb 1.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1ab7 h LEU 71 CO -0.00 0.89 0.70 1.56 -0.34 0.00 0.00 178.44 181.25 1ab7 h GLN 72 N -1.00 0.00 0.08 1.25 4.20 0.08 0.90 115.11 120.62 1ab7 h GLN 72 Ca -0.02 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.42 1ab7 h GLN 72 Cb 0.76 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1ab7 h GLN 72 CO -0.01 0.00 -1.44 0.28 -0.67 0.00 0.00 178.83 176.99 1ab7 h VAL 73 N 0.00 0.94 0.13 -0.54 2.07 -1.13 -0.56 116.25 117.16 1ab7 h VAL 73 Ca 0.32 -2.32 0.02 0.00 0.82 0.00 0.00 66.70 65.54 1ab7 h VAL 73 Cb 1.71 2.55 -0.04 0.00 -1.52 0.00 0.00 31.29 34.00 1ab7 h VAL 73 CO -0.00 0.62 -0.29 -0.26 0.02 0.00 0.00 177.57 177.66 1ab7 h PHE 74 N -0.46 -0.79 -0.48 1.57 0.04 0.10 0.94 116.94 117.86 1ab7 h PHE 74 Ca -0.33 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.44 1ab7 h PHE 74 Cb 1.65 0.33 -0.02 0.00 2.20 0.00 0.00 35.95 40.11 1ab7 h PHE 74 CO 0.11 -0.40 0.23 0.00 -0.60 0.00 0.00 178.31 177.65 1ab7 h ARG 75 N -0.52 0.70 -0.61 1.51 3.08 -1.10 -0.92 114.38 116.51 1ab7 h ARG 75 Ca 0.03 -0.10 0.18 0.00 0.07 0.00 0.00 59.98 60.15 1ab7 h ARG 75 Cb 0.54 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1ab7 h ARG 75 CO -0.16 0.59 0.52 0.93 -1.07 0.00 0.00 179.97 180.78 1ab7 h GLU 76 N 0.64 0.00 0.00 0.04 5.08 -0.10 0.32 114.58 120.56 1ab7 h GLU 76 Ca 0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1ab7 h GLU 76 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ab7 h GLU 76 CO -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.98 1ab7 h ALA 77 N 1.53 0.00 0.00 3.43 0.00 0.46 -1.52 119.26 123.16 1ab7 h ALA 77 Ca 0.29 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ab7 h ALA 77 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ab7 h ALA 77 CO -0.00 0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.61 1ab7 n LYS 78 N -4.62 0.04 0.00 0.00 -0.00 -0.24 0.15 118.16 113.49 1ab7 n LYS 78 Ca -0.10 0.47 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1ab7 n LYS 78 Cb 0.45 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 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 -1.57 0.00 -0.05 0.58 0.00 0.96 -4.61 120.51 115.82 1ab7 n ALA 79 Ca 0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1ab7 n ALA 79 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.43 0.00 0.00 4.39 -1.27 -3.44 114.58 113.84 1ab7 h GLU 80 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ab7 h GLU 80 Cb 0.00 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1ab7 h GLU 80 CO 0.00 -0.29 0.00 0.41 -1.16 0.00 0.00 179.01 177.97 1ab7 n GLY 81 N -1.43 0.11 3.06 -3.84 0.00 -0.83 -5.10 105.19 97.17 1ab7 n GLY 81 Ca -0.03 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.76 -3.09 -2.83 4.61 0.00 0.40 -4.84 120.51 113.99 1ab7 n ALA 82 Ca 0.00 -0.07 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 1ab7 n ALA 82 Cb 0.00 -1.32 -0.01 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 2.41 6.13 -4.66 0.00 9.92 -1.26 -3.76 116.55 125.32 1ab7 n ASP 83 Ca 0.07 -3.64 -0.31 0.00 -0.53 0.00 0.00 54.79 50.38 1ab7 n ASP 83 Cb 0.45 -0.96 -0.09 0.00 -0.64 0.00 0.00 41.12 39.88 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 -4.04 3.92 -0.45 0.53 1.01 -1.26 -1.30 121.20 119.60 1ab7 s ILE 84 Ca 0.41 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 1ab7 s ILE 84 Cb 0.20 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.97 1ab7 s ILE 84 CO -0.09 0.22 0.29 -0.89 0.00 0.00 0.00 174.94 174.47 1ab7 s THR 85 N -1.20 3.95 -0.29 2.92 2.01 -0.20 -4.59 115.64 118.23 1ab7 s THR 85 Ca 0.22 -1.81 -0.27 0.00 0.31 0.00 0.00 61.69 60.14 1ab7 s THR 85 Cb -0.11 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.81 1ab7 s THR 85 CO 0.14 -0.71 0.98 -0.63 -0.69 0.00 0.00 174.62 173.71 1ab7 s ILE 86 N 1.31 4.64 -0.16 1.82 1.09 -1.26 -0.76 121.20 127.88 1ab7 s ILE 86 Ca 0.06 1.66 -0.08 0.00 -1.10 0.00 0.00 60.65 61.18 1ab7 s ILE 86 Cb -0.25 -4.31 -0.04 0.00 -1.06 0.00 0.00 42.46 36.80 1ab7 s ILE 86 CO -0.01 -0.33 0.13 -0.63 -0.10 0.00 0.00 174.94 174.00 1ab7 s ILE 87 N 3.32 5.45 -0.34 2.92 1.01 -0.64 -4.97 121.20 127.95 1ab7 s ILE 87 Ca 0.41 0.19 0.04 0.00 0.00 0.00 0.00 60.65 61.30 1ab7 s ILE 87 Cb -0.13 -3.42 0.28 0.00 0.01 0.00 0.00 42.46 39.19 1ab7 s ILE 87 CO 0.12 0.54 1.31 0.18 0.00 0.00 0.00 174.94 177.08 1ab7 n LEU 88 N 2.70 -1.35 0.00 2.97 4.32 -1.26 -2.79 117.00 121.58 1ab7 n LEU 88 Ca -0.18 -2.11 0.03 0.00 -0.02 0.00 0.00 56.01 53.73 1ab7 n LEU 88 Cb 0.54 0.93 0.19 0.00 -1.62 0.00 0.00 43.42 43.45 1ab7 n LEU 88 CO 0.34 1.58 0.42 -0.24 -1.22 0.00 0.00 177.39 178.26