#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 -0.43 0.08 1.61 0.15 -1.26 -4.68 113.70 109.17 1xut s SER 65 Ca 0.00 0.80 -0.05 0.00 0.70 0.00 0.00 55.95 57.40 1xut s SER 65 Cb 0.00 0.77 -0.27 0.00 -1.71 0.00 0.00 66.02 64.81 1xut s SER 65 CO 0.00 -0.15 1.15 1.55 1.20 0.00 0.00 173.24 176.99 1xut h PRO 66 N 6.03 0.30 0.00 5.44 0.13 -2.00 -3.45 132.00 138.45 1xut h PRO 66 Ca -0.30 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1xut h PRO 66 Cb 1.18 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1xut h PRO 66 CO 0.28 1.22 0.00 0.91 -0.23 0.00 0.00 178.00 180.18 1xut n TRP 67 N -3.57 0.00 -2.93 1.56 8.01 -1.26 -5.01 117.44 114.24 1xut n TRP 67 Ca -0.09 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.67 1xut n TRP 67 Cb 1.01 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 30.26 1xut n TRP 67 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1xut s SER 68 N 0.89 6.46 0.33 -0.99 1.04 -1.26 -4.91 113.70 115.27 1xut s SER 68 Ca 0.00 0.05 0.15 0.00 0.48 0.00 0.00 55.95 56.63 1xut s SER 68 Cb 0.00 -2.40 0.53 0.00 0.10 0.00 0.00 66.02 64.25 1xut s SER 68 CO 0.00 -0.91 1.68 -0.07 0.98 0.00 0.00 173.24 174.92 1xut h LEU 69 N 10.15 0.00 -8.63 2.42 4.07 -1.95 -3.43 115.31 117.94 1xut h LEU 69 Ca -0.25 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.20 1xut h LEU 69 Cb 1.08 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 1xut h LEU 69 CO 0.97 0.48 1.59 -1.20 -1.08 0.00 0.00 178.44 179.20 1xut n SER 70 N -3.64 2.33 -3.47 -0.43 7.64 -1.26 -4.90 113.62 109.89 1xut n SER 70 Ca -0.01 -0.18 -0.21 0.00 1.01 0.00 0.00 58.87 59.48 1xut n SER 70 Cb 0.56 -1.48 -0.07 0.00 -1.01 0.00 0.00 64.21 62.21 1xut n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xut s ARG 72 N -3.36 1.05 0.17 0.00 0.52 -1.26 -4.94 118.95 111.12 1xut s ARG 72 Ca 0.24 1.55 0.14 0.00 -0.52 0.00 0.00 55.73 57.14 1xut s ARG 72 Cb 0.01 -1.73 -0.05 0.00 0.52 0.00 0.00 34.95 33.70 1xut s ARG 72 CO 0.17 -2.61 1.18 -0.22 0.02 0.00 0.00 175.30 173.84 1xut h LYS 73 N -1.85 0.00 -6.90 3.54 3.64 -2.01 -3.47 116.57 109.51 1xut h LYS 73 Ca -0.43 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.39 1xut h LYS 73 Cb 1.27 0.00 0.14 0.00 -0.41 0.00 0.00 32.23 33.23 1xut h LYS 73 CO 0.42 0.49 0.44 0.39 -2.27 0.00 0.00 179.45 178.92 1xut n GLU 74 N -3.12 1.57 0.27 1.90 1.02 -1.26 -4.95 120.64 116.07 1xut n GLU 74 Ca -0.03 0.57 -0.11 0.00 -0.02 0.00 0.00 57.16 57.57 1xut n GLU 74 Cb 0.81 -2.40 -0.05 0.00 -0.02 0.00 0.00 31.44 29.78 1xut n GLU 74 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1xut h GLN 75 N 1.44 -0.71 -5.34 3.49 5.75 -2.04 -3.38 115.11 114.31 1xut h GLN 75 Ca -0.49 0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 57.94 1xut h GLN 75 Cb 1.32 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 30.01 1xut h GLN 75 CO 0.57 -0.47 0.34 0.20 -2.65 0.00 0.00 178.83 176.82 1xut s GLY 76 N -2.54 -0.60 -0.22 2.39 0.00 -1.26 -4.82 107.32 100.27 1xut s GLY 76 Ca -0.11 -1.43 -0.16 0.00 0.00 0.00 0.00 44.72 43.02 1xut s GLY 76 CO 0.32 4.01 0.56 0.54 0.00 0.00 0.00 173.10 178.53 1xut s LYS 77 N 7.98 0.61 0.34 2.90 3.01 -1.26 -4.31 119.74 129.01 1xut s LYS 77 Ca 0.80 0.88 0.09 0.00 -1.01 0.00 0.00 55.97 56.74 1xut s LYS 77 Cb -0.07 0.20 -0.06 0.00 -1.01 0.00 0.00 37.83 36.90 1xut s LYS 77 CO 0.11 -0.11 -0.03 -0.59 0.51 0.00 0.00 175.35 175.24 1xut s PHE 78 N 0.85 2.49 -0.13 3.18 -0.71 0.20 -4.95 117.98 118.92 1xut s PHE 78 Ca -0.04 -0.44 -0.01 0.00 -1.04 0.00 0.00 56.93 55.39 1xut s PHE 78 Cb -0.05 -1.42 -0.02 0.00 -1.21 0.00 0.00 43.02 40.32 1xut s PHE 78 CO -0.07 0.53 -0.09 -0.47 -1.34 0.00 0.00 175.22 173.77 1xut s TYR 79 N -2.54 2.89 -0.34 3.49 6.14 -1.26 -0.85 117.35 124.89 1xut s TYR 79 Ca 0.34 -0.47 -0.09 0.00 0.64 0.00 0.00 57.07 57.49 1xut s TYR 79 Cb 0.00 -1.87 0.02 0.00 0.42 0.00 0.00 41.96 40.53 1xut s TYR 79 CO 0.18 -0.11 0.14 0.34 0.64 0.00 0.00 175.55 176.75 1xut s ASP 80 N 0.27 5.46 0.09 4.32 2.15 -0.79 -4.93 116.67 123.24 1xut s ASP 80 Ca -0.07 -0.87 -0.22 0.00 0.43 0.00 0.00 52.55 51.83 1xut s ASP 80 Cb -0.15 -1.95 -0.12 0.00 -0.30 0.00 0.00 42.92 40.40 1xut s ASP 80 CO 0.04 -0.29 1.68 1.12 -0.17 0.00 0.00 175.17 177.55 1xut h HIS 81 N 8.32 0.15 -0.17 -5.34 2.07 -1.95 0.64 115.15 118.87 1xut h HIS 81 Ca -0.28 -0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.29 1xut h HIS 81 Cb 1.11 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.04 1xut h HIS 81 CO 0.60 0.18 0.29 1.37 -3.07 0.00 0.00 177.93 177.30 1xut h LEU 82 N 0.07 0.00 0.00 6.12 -0.00 -1.96 -0.22 115.31 119.32 1xut h LEU 82 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.79 1xut h LEU 82 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 1xut h LEU 82 CO -0.01 0.00 -2.00 0.18 -0.00 0.00 0.00 178.44 176.62 1xut n LEU 83 N -3.41 0.00 -0.45 0.17 4.77 -0.86 -4.98 117.00 112.23 1xut n LEU 83 Ca 0.02 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.94 1xut n LEU 83 Cb 0.40 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1xut n LEU 83 CO 0.22 0.17 -0.06 0.54 -1.33 0.00 0.00 177.39 176.94 1xut n ARG 84 N -2.35 -1.09 -4.64 3.23 1.74 0.22 -4.97 116.66 108.79 1xut n ARG 84 Ca -0.14 0.60 -0.29 0.00 -0.77 0.00 0.00 57.85 57.26 1xut n ARG 84 Cb 0.72 -4.59 -0.09 0.00 -1.02 0.00 0.00 32.46 27.49 1xut n ARG 84 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xut s ASP 85 N -2.39 3.55 -0.46 0.55 1.01 -1.17 -4.84 116.67 112.93 1xut s ASP 85 Ca 0.00 -1.58 -0.12 0.00 0.71 0.00 0.00 52.55 51.56 1xut s ASP 85 Cb 0.00 0.28 0.09 0.00 1.01 0.00 0.00 42.92 44.30 1xut s ASP 85 CO 0.00 -0.77 0.34 0.00 0.21 0.00 0.00 175.17 174.95 1xut s ILE 87 N 1.51 5.23 0.43 0.00 1.09 -0.03 -4.86 121.20 124.56 1xut s ILE 87 Ca 0.04 -0.54 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 1xut s ILE 87 Cb -0.25 -3.77 -0.01 0.00 -1.06 0.00 0.00 42.46 37.38 1xut s ILE 87 CO 0.03 -0.22 0.65 -0.44 -0.10 0.00 0.00 174.94 174.86 1xut s SER 88 N -3.39 5.96 -0.14 3.58 0.01 -1.26 -0.62 113.70 117.83 1xut s SER 88 Ca 0.37 0.36 0.08 0.00 1.31 0.00 0.00 55.95 58.07 1xut s SER 88 Cb -0.11 -1.69 -0.15 0.00 0.21 0.00 0.00 66.02 64.29 1xut s SER 88 CO 0.30 -0.60 -0.02 0.00 0.41 0.00 0.00 173.24 173.32 1xut h ALA 90 N 0.43 1.01 0.00 0.00 0.00 -1.96 -2.75 119.26 115.99 1xut h ALA 90 Ca -0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xut h ALA 90 Cb 1.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1xut h ALA 90 CO -0.01 0.27 -0.32 1.03 0.00 0.00 0.00 179.25 180.22 1xut h SER 91 N 0.00 0.00 -0.25 0.00 0.87 -1.96 -3.29 113.55 108.92 1xut h SER 91 Ca -0.00 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 1xut h SER 91 Cb 0.76 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.67 1xut h SER 91 CO 0.03 0.00 -0.07 2.30 -0.53 0.00 0.00 176.83 178.56 1xut n ILE 92 N -2.95 2.35 -1.86 2.23 -5.35 -1.08 -5.01 119.36 107.69 1xut n ILE 92 Ca 0.03 -2.44 -0.42 0.00 -0.27 0.00 0.00 62.75 59.64 1xut n ILE 92 Cb 0.53 -0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.12 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 4.71 0.83 2.44 0.00 0.00 -1.26 -4.92 105.19 106.99 1xut n GLY 94 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.02 1.04 -4.39 1.61 1.13 -0.87 -5.12 117.38 110.76 1xut n GLN 95 Ca 0.00 -2.94 -0.20 0.00 -1.94 0.00 0.00 57.00 51.91 1xut n GLN 95 Cb 0.00 -1.33 -0.10 0.00 0.11 0.00 0.00 30.24 28.92 1xut n GLN 95 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 1xut s HIS 96 N -1.85 1.91 0.97 1.08 -3.43 -1.11 -4.97 115.29 107.90 1xut s HIS 96 Ca 0.32 -0.49 -0.16 0.00 -0.80 0.00 0.00 55.06 53.93 1xut s HIS 96 Cb 0.37 -0.87 0.25 0.00 -1.43 0.00 0.00 32.58 30.90 1xut s HIS 96 CO -0.05 0.48 0.70 -0.35 -2.00 0.00 0.00 174.74 173.52 1xut n PRO 97 N -0.42 -3.33 0.23 -0.38 -0.04 -1.26 -4.84 135.00 124.96 1xut n PRO 97 Ca -0.07 -1.14 0.06 0.00 -0.04 0.00 0.00 63.50 62.31 1xut n PRO 97 Cb 0.60 -1.26 0.53 0.00 -0.04 0.00 0.00 33.50 33.33 1xut n PRO 97 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xut h LYS 98 N 0.00 0.00 -0.87 0.54 3.64 -2.01 -2.56 116.57 115.31 1xut h LYS 98 Ca -0.29 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1xut h LYS 98 Cb 0.92 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 1xut h LYS 98 CO 0.18 0.17 0.56 0.37 -2.27 0.00 0.00 179.45 178.47 1xut h GLN 99 N 0.00 0.88 -0.88 1.90 4.15 -2.01 -0.52 115.11 118.63 1xut h GLN 99 Ca -0.00 -0.05 -0.34 0.00 0.77 0.00 0.00 58.65 59.03 1xut h GLN 99 Cb 0.31 -0.20 -0.20 0.00 0.21 0.00 0.00 27.48 27.60 1xut h GLN 99 CO 0.02 0.58 0.43 0.00 -1.93 0.00 0.00 178.83 177.93 1xut h ALA 101 N 1.92 0.89 0.00 0.00 0.00 -1.10 -3.18 119.26 117.80 1xut h ALA 101 Ca 0.42 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1xut h ALA 101 Cb 2.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 1xut h ALA 101 CO 0.86 0.23 -0.27 0.10 0.00 0.00 0.00 179.25 180.17 1xut h TYR 102 N 0.00 0.00 0.00 0.00 -0.00 -1.76 -3.23 116.97 111.98 1xut h TYR 102 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1xut h TYR 102 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.81 1xut h TYR 102 CO 0.00 0.27 0.00 0.34 -0.00 0.00 0.00 178.16 178.77 1xut n PHE 103 N -3.41 0.00 -3.69 0.10 -0.00 -1.20 -4.13 117.46 105.13 1xut n PHE 103 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.16 1xut n PHE 103 Cb 0.46 -0.49 -0.14 0.00 -0.00 0.00 0.00 39.48 39.31 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 4.46 0.21 -0.22 0.00 -0.58 -1.22 -4.22 120.64 119.08 1xut n GLU 105 Ca 0.02 -0.46 0.31 0.00 -0.42 0.00 0.00 57.16 56.60 1xut n GLU 105 Cb 0.40 0.61 0.73 0.00 -0.57 0.00 0.00 31.44 32.61 1xut n GLU 105 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 1xut h ASN 106 N 0.54 0.00 -3.31 1.62 7.08 -1.99 -3.37 115.58 116.15 1xut h ASN 106 Ca -0.08 0.00 -0.58 0.00 -3.08 0.00 0.00 56.30 52.56 1xut h ASN 106 Cb 0.33 0.00 -0.34 0.00 -2.08 0.00 0.00 38.32 36.23 1xut h ASN 106 CO 0.10 0.00 -0.84 -1.59 -2.08 0.00 0.00 177.43 173.03 1xut s LYS 107 N -4.93 2.22 0.19 4.14 -2.85 -1.26 -5.12 119.74 112.14 1xut s LYS 107 Ca -0.05 -0.57 -0.21 0.00 -1.00 0.00 0.00 55.97 54.14 1xut s LYS 107 Cb 0.21 -1.84 0.05 0.00 -2.06 0.00 0.00 37.83 34.19 1xut s LYS 107 CO 0.76 -0.01 0.61 -0.48 0.10 0.00 0.00 175.35 176.33 1xut s LEU 108 N 0.84 -0.35 0.00 2.77 0.05 -1.26 -4.06 118.68 116.67 1xut s LEU 108 Ca -0.10 -0.24 0.05 0.00 0.05 0.00 0.00 54.13 53.89 1xut s LEU 108 Cb -0.15 2.53 0.04 0.00 -2.05 0.00 0.00 46.19 46.56 1xut s LEU 108 CO 0.01 -1.07 0.66 0.54 -0.55 0.00 0.00 176.35 175.93