#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a45 h VAL 55 N 0.00 0.55 0.00 3.15 2.07 -2.12 -3.47 116.25 116.43 2a45 h VAL 55 Ca 0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 2a45 h VAL 55 Cb 0.00 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2a45 h VAL 55 CO 0.00 0.31 0.00 1.21 0.02 0.00 0.00 177.57 179.11 2a45 n GLU 56 N -2.93 0.00 0.00 1.57 4.07 -1.26 -5.15 120.64 116.95 2a45 n GLU 56 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 2a45 n GLU 56 Cb 0.85 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.23 2a45 n GLU 56 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2a45 n ARG 57 N 0.00 0.00 -3.80 5.31 3.00 -1.26 -5.15 116.66 114.76 2a45 n ARG 57 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 2a45 n ARG 57 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.33 2a45 n ARG 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2a45 s LYS 58 N 0.00 3.18 0.83 -0.14 -0.14 -1.26 -5.10 119.74 117.11 2a45 s LYS 58 Ca 0.00 -0.79 -0.13 0.00 -1.36 0.00 0.00 55.97 53.69 2a45 s LYS 58 Cb 0.00 -3.27 0.07 0.00 -1.68 0.00 0.00 37.83 32.95 2a45 s LYS 58 CO 0.00 -0.37 1.02 0.00 -0.76 0.00 0.00 175.35 175.24 2a45 n ALA 59 N 4.84 -0.60 -2.43 5.17 0.00 -1.26 -4.99 120.51 121.24 2a45 n ALA 59 Ca -0.15 -0.38 -0.38 0.00 0.00 0.00 0.00 53.44 52.52 2a45 n ALA 59 Cb 0.49 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.73 2a45 n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2a45 s PRO 60 N -3.97 4.17 -0.32 0.00 0.04 -1.26 -5.07 135.00 128.59 2a45 s PRO 60 Ca 0.70 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 2a45 s PRO 60 Cb -0.28 -3.28 0.11 0.00 0.04 0.00 0.00 34.50 31.09 2a45 s PRO 60 CO 0.54 0.54 0.12 -0.51 0.04 0.00 0.00 177.00 177.74 2a45 s ASP 61 N -0.72 3.86 0.56 6.66 1.01 -1.26 -5.13 116.67 121.65 2a45 s ASP 61 Ca 0.28 -1.70 0.07 0.00 0.71 0.00 0.00 52.55 51.92 2a45 s ASP 61 Cb -0.18 -0.77 0.06 0.00 1.01 0.00 0.00 42.92 43.05 2a45 s ASP 61 CO 0.16 -0.40 0.59 0.00 0.21 0.00 0.00 175.17 175.73 2a45 s ALA 62 N 1.56 4.58 0.00 5.23 0.00 -1.26 -4.94 121.76 126.93 2a45 s ALA 62 Ca 0.11 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2a45 s ALA 62 Cb -0.18 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2a45 s ALA 62 CO -0.24 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.28 2a45 n GLY 63 N -2.00 0.00 3.70 0.00 0.00 -1.26 -4.91 105.19 100.72 2a45 n GLY 63 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 2a45 n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a45 s GLY 64 N 0.00 0.31 0.13 -0.02 0.00 -1.26 -4.05 107.32 102.43 2a45 s GLY 64 Ca 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 44.72 43.89 2a45 s GLY 64 CO 0.00 -0.41 0.42 0.00 0.00 0.00 0.00 173.10 173.11 2a45 s LEU 66 N -2.81 4.32 0.24 0.00 0.20 -1.26 0.63 118.68 120.00 2a45 s LEU 66 Ca 0.04 1.12 -0.30 0.00 0.69 0.00 0.00 54.13 55.68 2a45 s LEU 66 Cb 0.01 -3.00 -0.09 0.00 -0.43 0.00 0.00 46.19 42.68 2a45 s LEU 66 CO -0.11 -0.08 1.19 -2.28 -0.29 0.00 0.00 176.35 174.79 2a45 s HIS 67 N 0.69 3.40 0.31 5.38 5.65 0.27 -4.85 115.29 126.14 2a45 s HIS 67 Ca 0.35 1.50 0.08 0.00 0.25 0.00 0.00 55.06 57.23 2a45 s HIS 67 Cb -0.17 -3.44 0.89 0.00 -1.18 0.00 0.00 32.58 28.68 2a45 s HIS 67 CO 0.17 -1.16 1.63 0.00 -0.65 0.00 0.00 174.74 174.73 2a45 h ALA 68 N 4.44 1.55 -2.72 1.58 0.00 -1.96 -3.37 119.26 118.78 2a45 h ALA 68 Ca -0.46 0.23 -0.56 0.00 0.00 0.00 0.00 54.91 54.12 2a45 h ALA 68 Cb 1.22 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 2a45 h ALA 68 CO 0.71 -0.56 0.05 0.34 0.00 0.00 0.00 179.25 179.79 2a45 s ASP 69 N -4.96 6.97 0.13 0.00 3.68 -1.26 -4.95 116.67 116.28 2a45 s ASP 69 Ca -0.11 1.17 -0.28 0.00 2.13 0.00 0.00 52.55 55.46 2a45 s ASP 69 Cb 0.28 -2.40 -0.05 0.00 -1.45 0.00 0.00 42.92 39.31 2a45 s ASP 69 CO 0.78 -0.06 1.60 -0.65 0.13 0.00 0.00 175.17 176.97 2a45 h PRO 70 N 6.47 -0.47 0.00 4.34 0.11 -1.96 0.22 132.00 140.71 2a45 h PRO 70 Ca -0.42 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2a45 h PRO 70 Cb 1.20 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2a45 h PRO 70 CO 0.74 -0.31 0.48 -0.44 -0.21 0.00 0.00 178.00 178.26 2a45 h ASP 71 N -0.49 0.00 0.00 -2.05 3.45 -1.92 0.10 116.42 115.51 2a45 h ASP 71 Ca 0.07 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.23 2a45 h ASP 71 Cb 0.59 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.31 2a45 h ASP 71 CO -0.31 0.00 -2.09 0.18 -1.57 0.00 0.00 179.24 175.45 2a45 n LEU 72 N -2.33 2.50 0.00 1.55 4.32 -0.40 -5.06 117.00 117.58 2a45 n LEU 72 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2a45 n LEU 72 Cb 0.50 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 2a45 n LEU 72 CO 0.06 0.69 0.00 0.61 -1.22 0.00 0.00 177.39 177.54 2a45 n GLY 73 N 2.33 2.06 3.57 -0.72 0.00 0.65 -4.69 105.19 108.39 2a45 n GLY 73 Ca -0.35 -0.32 -0.53 0.00 0.00 0.00 0.00 46.02 44.82 2a45 n GLY 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2a45 n VAL 74 N 0.00 0.04 -4.90 1.61 0.31 -1.26 0.95 118.33 115.09 2a45 n VAL 74 Ca 0.00 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 64.00 2a45 n VAL 74 Cb 0.00 -0.69 -0.17 0.00 -0.91 0.00 0.00 33.84 32.07 2a45 n VAL 74 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2a45 s LEU 75 N 0.42 2.04 0.36 7.52 1.43 0.21 -4.81 118.68 125.85 2a45 s LEU 75 Ca 0.85 -0.55 0.08 0.00 -1.03 0.00 0.00 54.13 53.47 2a45 s LEU 75 Cb -1.00 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 2a45 s LEU 75 CO 0.49 0.11 0.30 0.00 0.23 0.00 0.00 176.35 177.47 2a45 n PRO 77 N -1.40 1.48 -1.03 0.00 -0.02 -1.26 -4.94 135.00 127.84 2a45 n PRO 77 Ca -0.00 0.53 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 2a45 n PRO 77 Cb 0.61 -2.21 0.19 0.00 -0.02 0.00 0.00 33.50 32.07 2a45 n PRO 77 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2a45 s THR 78 N 0.57 2.12 0.22 3.45 -4.23 -1.26 -4.76 115.64 111.75 2a45 s THR 78 Ca 0.82 0.04 -0.07 0.00 -1.18 0.00 0.00 61.69 61.29 2a45 s THR 78 Cb -0.86 -2.43 0.17 0.00 1.34 0.00 0.00 72.50 70.72 2a45 s THR 78 CO 0.44 -0.05 1.79 1.23 -0.54 0.00 0.00 174.62 177.49 2a45 h GLY 79 N -2.03 1.29 0.89 3.99 0.00 -1.99 -1.14 103.07 104.08 2a45 h GLY 79 Ca -0.55 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.08 2a45 h GLY 79 CO 0.55 0.65 -0.22 0.00 0.00 0.00 0.00 176.54 177.52 2a45 h GLN 81 N -0.55 -0.13 0.20 0.00 1.08 -1.81 0.04 115.11 113.94 2a45 h GLN 81 Ca -0.04 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2a45 h GLN 81 Cb 0.46 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2a45 h GLN 81 CO 0.03 -0.08 -0.15 -0.07 -0.95 0.00 0.00 178.83 177.61 2a45 h LEU 82 N -0.13 -0.40 -0.14 1.46 3.38 -0.73 0.73 115.31 119.48 2a45 h LEU 82 Ca 0.24 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.25 2a45 h LEU 82 Cb 0.51 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2a45 h LEU 82 CO -0.61 -0.22 -0.08 1.67 0.09 0.00 0.00 178.44 179.29 2a45 n GLN 83 N -3.19 -0.06 -0.35 1.13 7.27 0.25 0.14 117.38 122.56 2a45 n GLN 83 Ca -0.04 0.94 0.15 0.00 0.07 0.00 0.00 57.00 58.12 2a45 n GLN 83 Cb 0.15 -1.40 0.35 0.00 2.41 0.00 0.00 30.24 31.75 2a45 n GLN 83 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2a45 h GLU 84 N 0.00 0.66 -0.55 3.69 5.08 -1.01 0.64 114.58 123.10 2a45 h GLU 84 Ca 0.02 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2a45 h GLU 84 Cb 0.06 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2a45 h GLU 84 CO -0.14 0.44 0.36 0.00 -1.00 0.00 0.00 179.01 178.67 2a45 h ALA 85 N 1.68 1.83 0.07 3.43 0.00 0.37 -2.12 119.26 124.53 2a45 h ALA 85 Ca 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.50 2a45 h ALA 85 Cb 1.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2a45 h ALA 85 CO -0.42 0.09 -0.03 -0.07 0.00 0.00 0.00 179.25 178.81 2a45 h LEU 86 N 0.54 -0.08 -1.09 0.00 3.38 0.53 -3.14 115.31 115.45 2a45 h LEU 86 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2a45 h LEU 86 Cb 0.24 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2a45 h LEU 86 CO -0.06 -0.05 0.23 -0.07 0.09 0.00 0.00 178.44 178.58 2a45 h LEU 87 N -0.11 0.00 -0.60 1.67 -0.00 -1.37 0.78 115.31 115.68 2a45 h LEU 87 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2a45 h LEU 87 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 2a45 h LEU 87 CO 0.02 0.00 0.00 1.56 -0.00 0.00 0.00 178.44 180.02 2a45 h GLN 88 N 0.00 0.00 0.00 1.13 1.08 -1.33 -2.93 115.11 113.06 2a45 h GLN 88 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 2a45 h GLN 88 Cb 0.46 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 2a45 h GLN 88 CO 0.00 0.00 -1.93 1.04 -0.95 0.00 0.00 178.83 176.99 2a45 n GLN 89 N -2.74 0.75 0.00 1.46 6.02 0.27 -4.55 117.38 118.58 2a45 n GLN 89 Ca 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2a45 n GLN 89 Cb 0.38 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2a45 n GLN 89 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2a45 n GLU 90 N -2.28 0.00 -0.17 -1.09 2.13 -0.88 -1.85 120.64 116.50 2a45 n GLU 90 Ca -0.10 0.07 -0.04 0.00 0.66 0.00 0.00 57.16 57.74 2a45 n GLU 90 Cb 0.64 -0.95 -0.04 0.00 0.27 0.00 0.00 31.44 31.36 2a45 n GLU 90 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2a45 n ARG 91 N -0.53 -0.18 -0.23 5.31 1.74 -1.23 0.20 116.66 121.76 2a45 n ARG 91 Ca 0.00 0.61 0.02 0.00 -0.77 0.00 0.00 57.85 57.71 2a45 n ARG 91 Cb 0.00 -0.90 0.14 0.00 -1.02 0.00 0.00 32.46 30.68 2a45 n ARG 91 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2a45 h PRO 92 N 0.00 0.41 0.09 5.56 0.13 -1.80 -2.39 132.00 133.99 2a45 h PRO 92 Ca 0.06 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2a45 h PRO 92 Cb 0.16 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 2a45 h PRO 92 CO -0.38 0.27 -0.07 0.82 -0.23 0.00 0.00 178.00 178.42 2a45 h ILE 93 N 0.42 0.00 -0.55 -3.56 5.03 0.31 -1.24 117.51 117.92 2a45 h ILE 93 Ca 0.35 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 65.25 2a45 h ILE 93 Cb 0.48 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.16 2a45 h ILE 93 CO -0.35 0.00 0.05 0.54 -0.68 0.00 0.00 178.15 177.71 2a45 n ARG 94 N -2.61 -0.04 0.25 2.37 5.12 -0.25 0.78 116.66 122.28 2a45 n ARG 94 Ca -0.02 0.82 -0.13 0.00 -1.93 0.00 0.00 57.85 56.59 2a45 n ARG 94 Cb 0.06 -1.32 -0.07 0.00 -1.16 0.00 0.00 32.46 29.98 2a45 n ARG 94 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2a45 h ASN 95 N 0.00 -0.57 -1.02 0.55 2.35 -1.20 0.15 115.58 115.83 2a45 h ASN 95 Ca 0.35 -0.06 0.34 0.00 -0.55 0.00 0.00 56.30 56.38 2a45 h ASN 95 Cb 0.77 0.15 -0.15 0.00 0.05 0.00 0.00 38.32 39.14 2a45 h ASN 95 CO -0.50 -0.18 0.59 0.28 -1.65 0.00 0.00 177.43 175.96 2a45 h SER 96 N -1.05 0.48 0.16 5.81 0.02 0.16 0.72 113.55 119.85 2a45 h SER 96 Ca -0.07 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2a45 h SER 96 Cb 0.60 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2a45 h SER 96 CO 0.11 -0.17 -0.08 0.58 -1.14 0.00 0.00 176.83 176.14 2a45 h VAL 97 N 0.28 0.65 0.00 2.27 2.07 -0.45 -3.23 116.25 117.84 2a45 h VAL 97 Ca 0.75 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2a45 h VAL 97 Cb 1.78 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2a45 h VAL 97 CO -0.61 0.19 0.00 0.44 0.02 0.00 0.00 177.57 177.61 2a45 h ASP 98 N -0.95 0.00 0.00 0.57 3.32 -0.18 -1.35 116.42 117.83 2a45 h ASP 98 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2a45 h ASP 98 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2a45 h ASP 98 CO 0.04 0.00 0.00 1.21 -1.72 0.00 0.00 179.24 178.77 2a45 n GLU 99 N -2.57 0.95 0.00 3.56 2.13 0.25 -3.31 120.64 121.65 2a45 n GLU 99 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2a45 n GLU 99 Cb 0.17 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.41 2a45 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2a45 n LEU 100 N -0.96 0.72 -0.24 4.31 7.99 -0.51 -4.24 117.00 124.07 2a45 n LEU 100 Ca 0.21 0.14 -0.02 0.00 -0.01 0.00 0.00 56.01 56.34 2a45 n LEU 100 Cb 0.10 -0.27 0.01 0.00 -0.11 0.00 0.00 43.42 43.15 2a45 n LEU 100 CO 0.16 -0.27 0.35 -0.46 -1.51 0.00 0.00 177.39 175.66 2a45 n ASN 101 N -1.66 -0.44 -0.26 -1.43 0.23 -1.25 0.14 115.26 110.59 2a45 n ASN 101 Ca 0.00 1.08 0.08 0.00 -0.53 0.00 0.00 54.58 55.20 2a45 n ASN 101 Cb 0.00 -0.23 0.21 0.00 -2.08 0.00 0.00 39.78 37.67 2a45 n ASN 101 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2a45 h ASN 102 N 0.00 -0.06 1.74 0.53 2.35 -1.79 0.70 115.58 119.04 2a45 h ASN 102 Ca 0.20 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 2a45 h ASN 102 Cb 0.35 0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2a45 h ASN 102 CO -0.61 -0.10 0.00 0.78 -1.65 0.00 0.00 177.43 175.85 2a45 h ASN 103 N 0.22 0.00 1.59 5.81 -0.26 0.99 -3.14 115.58 120.78 2a45 h ASN 103 Ca 0.45 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.19 2a45 h ASN 103 Cb 0.82 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 2a45 h ASN 103 CO -0.58 0.00 -0.36 0.58 -1.06 0.00 0.00 177.43 176.01 2a45 h VAL 104 N 0.00 0.00 0.00 2.81 2.07 0.22 -3.51 116.25 117.84 2a45 h VAL 104 Ca 0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2a45 h VAL 104 Cb 0.87 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2a45 h VAL 104 CO 0.00 0.00 0.00 -1.84 0.02 0.00 0.00 177.57 175.75