#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xut s SER 65 N 0.00 2.36 0.00 1.61 1.04 -1.26 -4.93 113.70 112.52 1xut s SER 65 Ca 0.00 1.05 0.17 0.00 0.48 0.00 0.00 55.95 57.65 1xut s SER 65 Cb 0.00 -1.63 0.93 0.00 0.10 0.00 0.00 66.02 65.42 1xut s SER 65 CO 0.00 -3.28 1.61 -0.81 0.98 0.00 0.00 173.24 171.74 1xut n PRO 66 N -4.26 1.15 -2.33 4.02 -0.04 -1.26 -4.73 135.00 127.57 1xut n PRO 66 Ca 0.06 -0.23 -0.35 0.00 -0.04 0.00 0.00 63.50 62.95 1xut n PRO 66 Cb 0.58 -1.28 -0.04 0.00 -0.04 0.00 0.00 33.50 32.72 1xut n PRO 66 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xut s TRP 67 N -1.95 2.19 0.00 0.54 0.23 -1.26 -4.28 118.94 114.41 1xut s TRP 67 Ca 0.26 -0.15 0.00 0.00 -2.03 0.00 0.00 56.10 54.18 1xut s TRP 67 Cb 0.13 -4.40 0.00 0.00 0.03 0.00 0.00 33.47 29.23 1xut s TRP 67 CO 0.20 -1.86 0.00 0.43 0.96 0.00 0.00 176.95 176.68 1xut n SER 68 N 11.21 0.00 -1.14 2.95 7.64 -1.26 -4.86 113.62 128.16 1xut n SER 68 Ca 0.35 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.26 1xut n SER 68 Cb 0.49 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.87 1xut n SER 68 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xut n LEU 69 N -0.88 3.16 -4.77 -3.43 4.32 -1.26 -4.93 117.00 109.21 1xut n LEU 69 Ca 0.00 -1.60 -0.30 0.00 -0.02 0.00 0.00 56.01 54.09 1xut n LEU 69 Cb 0.00 -0.59 0.11 0.00 -1.62 0.00 0.00 43.42 41.33 1xut n LEU 69 CO 0.00 0.43 0.70 -0.55 -1.22 0.00 0.00 177.39 176.74 1xut s SER 70 N -0.34 4.05 0.01 -1.43 0.15 -1.26 -4.68 113.70 110.19 1xut s SER 70 Ca 0.24 1.34 0.02 0.00 0.70 0.00 0.00 55.95 58.25 1xut s SER 70 Cb 0.19 -2.04 -0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1xut s SER 70 CO 0.07 -2.26 -0.06 0.00 1.20 0.00 0.00 173.24 172.19 1xut s ARG 72 N -0.42 1.85 -0.13 0.00 0.52 -1.26 -4.86 118.95 114.65 1xut s ARG 72 Ca 0.00 -2.21 0.10 0.00 -0.52 0.00 0.00 55.73 53.11 1xut s ARG 72 Cb -0.04 -3.36 -0.23 0.00 0.52 0.00 0.00 34.95 31.83 1xut s ARG 72 CO -0.00 -1.04 0.32 1.63 0.02 0.00 0.00 175.30 176.22 1xut n LYS 73 N 3.82 0.67 -1.08 3.54 4.76 -1.26 -5.00 118.16 123.61 1xut n LYS 73 Ca 0.04 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1xut n LYS 73 Cb 0.38 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1xut n LYS 73 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1xut n GLU 74 N -3.04 2.92 0.14 1.97 2.13 -1.26 -5.06 120.64 118.44 1xut n GLU 74 Ca -0.28 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.31 1xut n GLU 74 Cb 1.08 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.64 1xut n GLU 74 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1xut h GLN 75 N 0.00 0.52 -5.69 5.31 1.08 -2.02 -3.45 115.11 110.87 1xut h GLN 75 Ca 0.00 -0.87 -0.67 0.00 -1.45 0.00 0.00 58.65 55.66 1xut h GLN 75 Cb 0.00 0.32 -0.27 0.00 -0.05 0.00 0.00 27.48 27.48 1xut h GLN 75 CO 0.00 1.41 -0.79 0.20 -0.95 0.00 0.00 178.83 178.70 1xut s GLY 76 N -4.59 1.49 0.31 3.46 0.00 -1.26 -5.10 107.32 101.64 1xut s GLY 76 Ca -0.08 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 1xut s GLY 76 CO 0.94 -0.42 0.63 0.28 0.00 0.00 0.00 173.10 174.53 1xut n LYS 77 N 3.11 0.91 -3.70 2.90 5.02 -1.26 -4.02 118.16 121.11 1xut n LYS 77 Ca -0.18 -1.77 -0.06 0.00 -2.02 0.00 0.00 58.31 54.28 1xut n LYS 77 Cb 0.52 2.22 -0.02 0.00 -0.02 0.00 0.00 35.03 37.73 1xut n LYS 77 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1xut s PHE 78 N -3.54 -0.21 -0.25 2.13 -0.71 -0.26 -4.83 117.98 110.31 1xut s PHE 78 Ca 0.13 -0.09 -0.03 0.00 -1.04 0.00 0.00 56.93 55.90 1xut s PHE 78 Cb -0.04 0.63 0.01 0.00 -1.21 0.00 0.00 43.02 42.41 1xut s PHE 78 CO 0.09 -0.85 -0.03 -0.47 -1.34 0.00 0.00 175.22 172.63 1xut s TYR 79 N -3.39 3.05 -0.55 3.49 6.14 -1.26 -1.34 117.35 123.48 1xut s TYR 79 Ca 0.10 -1.28 -0.22 0.00 0.64 0.00 0.00 57.07 56.31 1xut s TYR 79 Cb -0.02 -2.11 0.05 0.00 0.42 0.00 0.00 41.96 40.30 1xut s TYR 79 CO -0.00 -0.65 0.85 0.34 0.64 0.00 0.00 175.55 176.73 1xut s ASP 80 N 1.40 6.28 0.10 4.32 -1.08 -1.03 -4.95 116.67 121.72 1xut s ASP 80 Ca 0.02 -0.60 -0.34 0.00 -0.52 0.00 0.00 52.55 51.11 1xut s ASP 80 Cb -0.16 -2.39 -0.15 0.00 -1.46 0.00 0.00 42.92 38.76 1xut s ASP 80 CO -0.03 -1.16 1.54 -0.74 0.52 0.00 0.00 175.17 175.30 1xut h HIS 81 N 9.25 -1.48 -1.10 -5.34 -0.00 -1.96 0.73 115.15 115.26 1xut h HIS 81 Ca -0.27 0.04 0.32 0.00 -0.00 0.00 0.00 60.37 60.46 1xut h HIS 81 Cb 1.08 0.63 -0.04 0.00 -0.00 0.00 0.00 27.41 29.07 1xut h HIS 81 CO 0.87 -0.59 0.90 1.37 -0.00 0.00 0.00 177.93 180.48 1xut h LEU 82 N -0.76 0.00 0.00 0.26 -0.00 -1.97 0.62 115.31 113.45 1xut h LEU 82 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.60 1xut h LEU 82 Cb 0.75 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.37 1xut h LEU 82 CO -0.26 0.00 -1.87 0.18 -0.00 0.00 0.00 178.44 176.49 1xut n LEU 83 N -3.89 0.52 -0.20 0.17 4.77 -0.37 -4.97 117.00 113.03 1xut n LEU 83 Ca 0.24 0.24 -0.03 0.00 -0.03 0.00 0.00 56.01 56.43 1xut n LEU 83 Cb 1.26 0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 42.58 1xut n LEU 83 CO 0.35 0.33 -0.02 -1.14 -1.33 0.00 0.00 177.39 175.58 1xut n ARG 84 N -2.85 -1.02 -4.59 3.23 0.63 0.24 -4.97 116.66 107.33 1xut n ARG 84 Ca -0.19 0.42 -0.31 0.00 -0.92 0.00 0.00 57.85 56.84 1xut n ARG 84 Cb 0.99 -4.27 -0.07 0.00 0.45 0.00 0.00 32.46 29.57 1xut n ARG 84 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1xut n ASP 85 N -0.38 3.21 -4.39 6.15 8.00 -1.21 -5.00 116.55 122.92 1xut n ASP 85 Ca -0.03 -3.17 -0.41 0.00 0.71 0.00 0.00 54.79 51.89 1xut n ASP 85 Cb 0.30 0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 41.68 1xut n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xut s ILE 87 N 1.57 4.26 0.56 0.00 1.09 -0.45 -4.86 121.20 123.37 1xut s ILE 87 Ca 0.02 -0.91 -0.01 0.00 -1.10 0.00 0.00 60.65 58.65 1xut s ILE 87 Cb -0.19 -3.05 0.03 0.00 -1.06 0.00 0.00 42.46 38.18 1xut s ILE 87 CO 0.07 0.10 0.81 -0.94 -0.10 0.00 0.00 174.94 174.88 1xut s SER 88 N -2.41 5.34 -0.12 3.58 1.04 -1.26 -1.10 113.70 118.76 1xut s SER 88 Ca 0.28 0.20 0.10 0.00 0.48 0.00 0.00 55.95 57.01 1xut s SER 88 Cb -0.12 -1.13 -0.15 0.00 0.10 0.00 0.00 66.02 64.73 1xut s SER 88 CO 0.20 -1.12 0.03 0.00 0.98 0.00 0.00 173.24 173.33 1xut h ALA 90 N 0.56 0.71 0.00 0.00 0.00 -1.94 -2.83 119.26 115.75 1xut h ALA 90 Ca -0.33 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 53.84 1xut h ALA 90 Cb 1.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1xut h ALA 90 CO 0.01 0.90 -0.33 1.03 0.00 0.00 0.00 179.25 180.86 1xut h SER 91 N 0.06 0.00 -0.42 0.00 0.87 -1.94 -3.10 113.55 109.02 1xut h SER 91 Ca -0.02 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.38 1xut h SER 91 Cb 1.34 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.20 1xut h SER 91 CO 0.11 0.33 0.04 2.30 -0.53 0.00 0.00 176.83 179.08 1xut n ILE 92 N -3.40 2.57 -1.73 2.23 -5.35 -1.18 -5.02 119.36 107.49 1xut n ILE 92 Ca 0.00 -2.33 -0.42 0.00 -0.27 0.00 0.00 62.75 59.73 1xut n ILE 92 Cb 0.52 -0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.07 1xut n ILE 92 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xut n GLY 94 N 4.29 2.66 2.23 0.00 0.00 -1.26 -4.88 105.19 108.23 1xut n GLY 94 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1xut n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xut n GLN 95 N -0.22 1.09 -4.21 1.61 6.02 -0.62 -5.10 117.38 115.95 1xut n GLN 95 Ca 0.00 -3.46 -0.15 0.00 -0.01 0.00 0.00 57.00 53.38 1xut n GLN 95 Cb 0.00 -1.73 -0.11 0.00 1.02 0.00 0.00 30.24 29.42 1xut n GLN 95 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1xut s HIS 96 N -2.47 1.17 0.94 1.08 -3.43 -1.05 -4.90 115.29 106.64 1xut s HIS 96 Ca 0.40 -0.69 -0.15 0.00 -0.80 0.00 0.00 55.06 53.82 1xut s HIS 96 Cb 0.34 -0.62 0.24 0.00 -1.43 0.00 0.00 32.58 31.11 1xut s HIS 96 CO -0.08 0.04 0.54 -0.35 -2.00 0.00 0.00 174.74 172.89 1xut n PRO 97 N 0.26 -3.51 0.04 -0.38 -0.04 -1.26 -4.85 135.00 125.27 1xut n PRO 97 Ca -0.14 -0.90 -0.04 0.00 -0.04 0.00 0.00 63.50 62.38 1xut n PRO 97 Cb 0.59 -1.23 0.18 0.00 -0.04 0.00 0.00 33.50 33.00 1xut n PRO 97 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1xut h LYS 98 N 0.00 0.41 -0.88 0.54 2.10 -2.01 -3.01 116.57 113.71 1xut h LYS 98 Ca -0.24 -0.19 0.12 0.00 -2.00 0.00 0.00 60.65 58.34 1xut h LYS 98 Cb 0.82 -0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 32.08 1xut h LYS 98 CO 0.15 0.72 0.57 -0.56 -2.00 0.00 0.00 179.45 178.33 1xut h GLN 99 N 0.35 0.74 -0.59 0.07 3.07 -2.03 0.21 115.11 116.92 1xut h GLN 99 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1xut h GLN 99 Cb 0.80 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.20 1xut h GLN 99 CO 0.06 0.49 0.00 0.00 0.09 0.00 0.00 178.83 179.47 1xut h ALA 101 N 3.43 1.19 0.00 0.00 0.00 -0.61 -2.49 119.26 120.79 1xut h ALA 101 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xut h ALA 101 Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xut h ALA 101 CO 0.13 0.30 0.00 2.48 0.00 0.00 0.00 179.25 182.17 1xut n TYR 102 N -3.66 0.13 -0.01 0.00 0.18 -1.26 -2.87 117.16 109.68 1xut n TYR 102 Ca -0.01 0.05 -0.01 0.00 1.88 0.00 0.00 57.90 59.82 1xut n TYR 102 Cb 0.36 -0.59 -0.00 0.00 -0.38 0.00 0.00 39.34 38.74 1xut n TYR 102 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1xut n PHE 103 N -1.62 0.04 -3.70 -3.48 -0.00 -0.94 -4.57 117.46 103.19 1xut n PHE 103 Ca 0.03 0.02 -0.28 0.00 -0.00 0.00 0.00 57.45 57.22 1xut n PHE 103 Cb 0.15 -0.18 -0.11 0.00 -0.00 0.00 0.00 39.48 39.34 1xut n PHE 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xut n GLU 105 N 2.19 0.27 -0.07 0.00 1.02 -1.14 -4.18 120.64 118.73 1xut n GLU 105 Ca 0.24 -0.58 0.21 0.00 -0.02 0.00 0.00 57.16 57.01 1xut n GLU 105 Cb 0.40 0.76 0.66 0.00 -0.02 0.00 0.00 31.44 33.25 1xut n GLU 105 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1xut h ASN 106 N 0.68 0.08 -0.74 1.62 7.08 -1.79 0.53 115.58 123.04 1xut h ASN 106 Ca -0.10 0.01 0.06 0.00 -3.08 0.00 0.00 56.30 53.18 1xut h ASN 106 Cb 0.42 -0.01 -0.05 0.00 -2.08 0.00 0.00 38.32 36.60 1xut h ASN 106 CO 0.13 0.04 0.49 0.11 -2.08 0.00 0.00 177.43 176.11 1xut h LYS 107 N 0.08 0.79 0.00 4.14 1.79 -1.95 -3.41 116.57 118.01 1xut h LYS 107 Ca 0.32 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1xut h LYS 107 Cb 1.14 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1xut h LYS 107 CO -0.03 0.52 0.00 -0.11 -1.08 0.00 0.00 179.45 178.75 1xut n LEU 108 N -4.47 0.03 -0.24 2.94 -0.00 -0.07 -4.96 117.00 110.22 1xut n LEU 108 Ca 0.10 0.03 0.03 0.00 -0.00 0.00 0.00 56.01 56.18 1xut n LEU 108 Cb 0.20 0.01 0.02 0.00 -0.00 0.00 0.00 43.42 43.65 1xut n LEU 108 CO 0.34 -0.52 0.34 -1.14 -0.00 0.00 0.00 177.39 176.41