#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 2.50 0.06 1.61 0.01 -1.26 -4.36 113.70 112.27 1xut s SER 65 Ca 0.00 -0.45 -0.33 0.00 1.31 0.00 0.00 55.95 56.48 1xut s SER 65 Cb 0.00 -1.14 -0.19 0.00 0.21 0.00 0.00 66.02 64.90 1xut s SER 65 CO 0.00 0.07 1.58 1.55 0.41 0.00 0.00 173.24 176.85 1xut h PRO 66 N 7.08 -0.92 0.00 12.44 0.13 -2.01 -3.45 132.00 145.26 1xut h PRO 66 Ca -0.28 0.06 -0.43 0.00 -0.87 0.00 0.00 66.00 64.49 1xut h PRO 66 Cb 1.20 0.21 0.02 0.00 0.13 0.00 0.00 31.00 32.56 1xut h PRO 66 CO 0.49 -0.61 -0.08 0.91 -0.23 0.00 0.00 178.00 178.48 1xut n TRP 67 N -5.49 -2.19 -3.31 1.56 8.01 -1.26 -5.11 117.44 109.64 1xut n TRP 67 Ca -0.14 -1.87 -0.11 0.00 -1.31 0.00 0.00 57.50 54.07 1xut n TRP 67 Cb 0.39 -0.47 -0.06 0.00 -2.01 0.00 0.00 31.31 29.16 1xut n TRP 67 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 1xut s SER 68 N -4.10 0.31 -0.20 -0.99 0.01 -1.26 -5.00 113.70 102.47 1xut s SER 68 Ca 0.50 -1.38 -0.06 0.00 1.31 0.00 0.00 55.95 56.32 1xut s SER 68 Cb -0.04 0.99 -0.10 0.00 0.21 0.00 0.00 66.02 67.08 1xut s SER 68 CO 0.32 -0.23 -0.23 0.00 0.41 0.00 0.00 173.24 173.51 1xut n LEU 69 N 4.24 2.02 -3.48 2.44 -0.00 -1.26 -5.05 117.00 115.91 1xut n LEU 69 Ca 0.12 0.12 0.01 0.00 -0.00 0.00 0.00 56.01 56.25 1xut n LEU 69 Cb 0.49 -0.63 -0.05 0.00 -0.00 0.00 0.00 43.42 43.23 1xut n LEU 69 CO 0.06 0.58 0.73 -0.55 -0.00 0.00 0.00 177.39 178.21 1xut s SER 70 N -6.49 -0.41 -0.10 1.45 0.15 -1.26 -5.18 113.70 101.86 1xut s SER 70 Ca -0.28 0.61 -0.31 0.00 0.70 0.00 0.00 55.95 56.67 1xut s SER 70 Cb 0.09 1.35 0.09 0.00 -1.71 0.00 0.00 66.02 65.85 1xut s SER 70 CO 0.39 -0.09 0.80 0.00 1.20 0.00 0.00 173.24 175.54 1xut s ARG 72 N -1.12 1.43 0.10 0.00 0.52 -1.26 -4.93 118.95 113.69 1xut s ARG 72 Ca -0.07 1.25 0.27 0.00 -0.52 0.00 0.00 55.73 56.66 1xut s ARG 72 Cb -0.00 -1.80 1.00 0.00 0.52 0.00 0.00 34.95 34.67 1xut s ARG 72 CO 0.07 -2.25 1.83 1.17 0.02 0.00 0.00 175.30 176.14 1xut n LYS 73 N -3.94 0.13 -1.66 3.54 3.00 -1.26 -4.88 118.16 113.09 1xut n LYS 73 Ca 0.09 0.10 -0.45 0.00 -0.00 0.00 0.00 58.31 58.05 1xut n LYS 73 Cb 0.53 -1.65 -0.03 0.00 0.00 0.00 0.00 35.03 33.88 1xut n LYS 73 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1xut n GLU 74 N -1.87 1.89 -0.27 1.64 4.71 -1.26 -4.88 120.64 120.60 1xut n GLU 74 Ca 0.06 0.67 -0.04 0.00 -0.01 0.00 0.00 57.16 57.85 1xut n GLU 74 Cb 0.38 -2.30 0.11 0.00 -1.01 0.00 0.00 31.44 28.63 1xut n GLU 74 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1xut h GLN 75 N 4.02 1.14 -4.85 3.49 -0.00 -2.04 -3.33 115.11 113.54 1xut h GLN 75 Ca -0.45 -0.17 -0.59 0.00 -0.00 0.00 0.00 58.65 57.44 1xut h GLN 75 Cb 1.29 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 28.55 1xut h GLN 75 CO 0.74 0.89 2.16 0.41 0.00 0.00 0.00 178.83 183.02 1xut n GLY 76 N -1.02 2.57 3.67 2.39 0.00 -1.26 -4.82 105.19 106.73 1xut n GLY 76 Ca 0.08 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1xut n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xut s LYS 77 N 4.86 1.57 0.22 1.61 1.02 -1.25 -3.66 119.74 124.12 1xut s LYS 77 Ca 0.57 -0.80 -0.23 0.00 0.02 0.00 0.00 55.97 55.54 1xut s LYS 77 Cb 0.09 0.59 0.05 0.00 -0.52 0.00 0.00 37.83 38.04 1xut s LYS 77 CO 0.07 -0.71 0.85 -0.59 -0.92 0.00 0.00 175.35 174.06 1xut s PHE 78 N -3.86 -0.12 -0.10 3.18 -0.12 0.24 -4.89 117.98 112.32 1xut s PHE 78 Ca 0.07 -0.28 0.02 0.00 -0.05 0.00 0.00 56.93 56.70 1xut s PHE 78 Cb -0.04 0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1xut s PHE 78 CO -0.01 -1.06 -0.16 -0.47 -0.05 0.00 0.00 175.22 173.48 1xut s TYR 79 N -3.41 2.72 -0.15 3.49 6.14 -1.26 -0.64 117.35 124.23 1xut s TYR 79 Ca 0.13 -0.56 -0.03 0.00 0.64 0.00 0.00 57.07 57.25 1xut s TYR 79 Cb -0.04 -1.75 -0.03 0.00 0.42 0.00 0.00 41.96 40.57 1xut s TYR 79 CO 0.05 -0.12 -0.04 0.34 0.64 0.00 0.00 175.55 176.42 1xut s ASP 80 N -0.00 4.77 -0.06 4.32 2.15 0.02 -4.83 116.67 123.03 1xut s ASP 80 Ca -0.05 -0.13 -0.27 0.00 0.43 0.00 0.00 52.55 52.54 1xut s ASP 80 Cb -0.14 -1.76 -0.22 0.00 -0.30 0.00 0.00 42.92 40.50 1xut s ASP 80 CO 0.04 0.18 1.11 1.12 -0.17 0.00 0.00 175.17 177.45 1xut h HIS 81 N 6.64 0.02 -0.04 -5.34 2.07 -1.95 0.58 115.15 117.14 1xut h HIS 81 Ca -0.31 -0.01 0.01 0.00 -2.85 0.00 0.00 60.37 57.21 1xut h HIS 81 Cb 1.19 -0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 1xut h HIS 81 CO 0.53 0.67 0.12 1.37 -3.07 0.00 0.00 177.93 177.55 1xut h LEU 82 N -0.63 0.00 0.00 6.12 -0.00 -1.97 -1.45 115.31 117.39 1xut h LEU 82 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.74 1xut h LEU 82 Cb 0.67 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.30 1xut h LEU 82 CO 0.00 0.00 -1.91 0.18 -0.00 0.00 0.00 178.44 176.71 1xut n LEU 83 N -3.26 0.00 -0.59 0.17 4.77 -1.19 -4.99 117.00 111.91 1xut n LEU 83 Ca -0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1xut n LEU 83 Cb 0.20 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1xut n LEU 83 CO 0.21 0.19 -0.07 -1.14 -1.33 0.00 0.00 177.39 175.25 1xut n ARG 84 N -2.33 -1.10 -4.63 3.23 0.63 0.20 -4.97 116.66 107.69 1xut n ARG 84 Ca -0.14 0.69 -0.29 0.00 -0.92 0.00 0.00 57.85 57.19 1xut n ARG 84 Cb 0.72 -4.73 -0.08 0.00 0.45 0.00 0.00 32.46 28.82 1xut n ARG 84 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1xut s ASP 85 N -2.48 3.48 -0.72 6.15 1.11 -1.12 -4.96 116.67 118.14 1xut s ASP 85 Ca 0.00 -1.62 -0.11 0.00 0.18 0.00 0.00 52.55 51.01 1xut s ASP 85 Cb 0.00 0.39 0.19 0.00 1.07 0.00 0.00 42.92 44.56 1xut s ASP 85 CO 0.00 -0.83 0.62 0.00 1.18 0.00 0.00 175.17 176.14 1xut s ILE 87 N 0.33 4.52 0.40 0.00 1.09 0.18 -4.79 121.20 122.93 1xut s ILE 87 Ca 0.15 1.23 0.07 0.00 -1.10 0.00 0.00 60.65 61.00 1xut s ILE 87 Cb -0.16 -3.67 0.00 0.00 -1.06 0.00 0.00 42.46 37.58 1xut s ILE 87 CO -0.06 -0.49 0.55 -0.55 -0.10 0.00 0.00 174.94 174.29 1xut s SER 88 N -2.69 5.74 -0.16 3.58 0.15 -1.26 -0.59 113.70 118.47 1xut s SER 88 Ca 0.59 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1xut s SER 88 Cb -0.10 -0.89 -0.23 0.00 -1.71 0.00 0.00 66.02 63.10 1xut s SER 88 CO 0.23 -0.68 0.18 0.00 1.20 0.00 0.00 173.24 174.18 1xut h ALA 90 N 0.23 0.70 0.00 0.00 0.00 -1.95 0.05 119.26 118.29 1xut h ALA 90 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xut h ALA 90 Cb 2.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1xut h ALA 90 CO 0.02 -0.07 0.00 0.77 0.00 0.00 0.00 179.25 179.98 1xut h SER 91 N 0.53 0.00 0.00 0.00 0.02 -1.96 -2.12 113.55 110.03 1xut h SER 91 Ca 0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1xut h SER 91 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1xut h SER 91 CO -0.17 0.00 -0.26 2.30 -1.14 0.00 0.00 176.83 177.56 1xut n ILE 92 N -2.57 1.90 -1.83 3.27 -5.35 -0.15 -5.04 119.36 109.58 1xut n ILE 92 Ca -0.01 -2.56 -0.42 0.00 -0.27 0.00 0.00 62.75 59.49 1xut n ILE 92 Cb 0.12 -0.18 -0.03 0.00 -1.74 0.00 0.00 39.64 37.81 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 4.35 3.11 2.26 0.00 0.00 -1.26 -4.92 105.19 108.72 1xut n GLY 94 Ca 0.19 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 1.14 -4.39 1.61 6.02 -1.04 -5.10 117.38 115.61 1xut n GLN 95 Ca 0.00 -3.50 -0.20 0.00 -0.01 0.00 0.00 57.00 53.29 1xut n GLN 95 Cb 0.00 -1.68 -0.10 0.00 1.02 0.00 0.00 30.24 29.48 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 -2.29 1.84 1.14 1.08 -3.43 -1.16 -4.99 115.29 107.48 1xut s HIS 96 Ca 0.40 -0.67 -0.17 0.00 -0.80 0.00 0.00 55.06 53.82 1xut s HIS 96 Cb 0.31 -0.98 0.21 0.00 -1.43 0.00 0.00 32.58 30.69 1xut s HIS 96 CO -0.09 0.29 0.42 -2.30 -2.00 0.00 0.00 174.74 171.06 1xut n PRO 97 N -0.50 -2.75 0.13 -0.38 -0.02 -1.26 -4.84 135.00 125.38 1xut n PRO 97 Ca -0.06 -0.81 -0.01 0.00 -2.02 0.00 0.00 63.50 60.60 1xut n PRO 97 Cb 0.62 -1.64 0.22 0.00 -0.02 0.00 0.00 33.50 32.68 1xut n PRO 97 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xut h LYS 98 N -2.80 0.10 -0.21 -0.52 3.64 -2.01 -2.95 116.57 111.81 1xut h LYS 98 Ca -0.35 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.99 1xut h LYS 98 Cb 1.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1xut h LYS 98 CO 0.23 0.58 0.14 -0.56 -2.27 0.00 0.00 179.45 177.57 1xut h GLN 99 N 0.08 0.25 -0.91 1.90 3.07 -2.05 -0.68 115.11 116.77 1xut h GLN 99 Ca 0.00 -0.01 -0.17 0.00 0.09 0.00 0.00 58.65 58.56 1xut h GLN 99 Cb 0.92 -0.06 -0.10 0.00 0.08 0.00 0.00 27.48 28.33 1xut h GLN 99 CO 0.07 0.16 0.21 0.00 0.09 0.00 0.00 178.83 179.37 1xut h ALA 101 N 2.12 0.42 0.00 0.00 0.00 -1.24 -3.19 119.26 117.38 1xut h ALA 101 Ca 0.21 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1xut h ALA 101 Cb 1.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1xut h ALA 101 CO 0.47 1.15 0.00 0.10 0.00 0.00 0.00 179.25 180.96 1xut h TYR 102 N 0.01 0.00 0.00 0.00 -0.00 -1.73 -3.04 116.97 112.21 1xut h TYR 102 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.71 1xut h TYR 102 Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.41 1xut h TYR 102 CO 0.01 0.00 -0.01 0.35 -0.00 0.00 0.00 178.16 178.50 1xut h PHE 103 N 0.00 0.00 -2.93 0.10 3.04 -1.81 -3.43 116.94 111.92 1xut h PHE 103 Ca 0.00 0.00 -0.60 0.00 3.98 0.00 0.00 57.97 61.35 1xut h PHE 103 Cb 0.05 0.00 -0.40 0.00 2.56 0.00 0.00 35.95 38.16 1xut h PHE 103 CO 0.00 0.00 -0.77 0.00 -2.02 0.00 0.00 178.31 175.52 1xut n GLU 105 N 3.95 0.16 -0.37 0.00 -0.58 -1.15 -4.24 120.64 118.41 1xut n GLU 105 Ca 0.07 -0.34 -0.00 0.00 -0.42 0.00 0.00 57.16 56.47 1xut n GLU 105 Cb 0.37 0.45 0.05 0.00 -0.57 0.00 0.00 31.44 31.73 1xut n GLU 105 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1xut h ASN 106 N 0.40 -1.35 -3.41 1.62 2.35 -1.99 -3.35 115.58 109.85 1xut h ASN 106 Ca -0.06 0.31 -0.66 0.00 -0.55 0.00 0.00 56.30 55.34 1xut h ASN 106 Cb 0.25 0.73 -0.27 0.00 0.05 0.00 0.00 38.32 39.07 1xut h ASN 106 CO 0.08 -0.29 -0.72 -1.59 -1.65 0.00 0.00 177.43 173.26 1xut s LYS 107 N -6.00 3.41 -0.16 0.81 0.00 -1.26 -4.94 119.74 111.60 1xut s LYS 107 Ca -0.14 -0.61 0.16 0.00 0.00 0.00 0.00 55.97 55.37 1xut s LYS 107 Cb 0.21 -3.01 0.34 0.00 0.00 0.00 0.00 37.83 35.37 1xut s LYS 107 CO 0.72 -0.17 1.21 1.47 0.00 0.00 0.00 175.35 178.59 1xut n LEU 108 N 4.71 0.03 0.00 2.77 -0.00 -1.26 -4.05 117.00 119.20 1xut n LEU 108 Ca -0.18 -2.59 0.00 0.00 -0.00 0.00 0.00 56.01 53.24 1xut n LEU 108 Cb 0.51 0.15 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 1xut n LEU 108 CO 0.29 1.20 0.00 0.54 -0.00 0.00 0.00 177.39 179.42