#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 -0.16 0.01 1.61 0.01 -1.26 -5.08 113.70 108.83 1xut s SER 65 Ca 0.00 -0.58 -0.23 0.00 1.31 0.00 0.00 55.95 56.45 1xut s SER 65 Cb 0.00 0.51 -0.18 0.00 0.21 0.00 0.00 66.02 66.57 1xut s SER 65 CO 0.00 -0.97 1.31 1.55 0.41 0.00 0.00 173.24 175.54 1xut h PRO 66 N 2.34 0.16 -2.16 12.44 0.13 -2.03 -3.37 132.00 139.51 1xut h PRO 66 Ca -0.30 -0.08 -0.56 0.00 -0.87 0.00 0.00 66.00 64.18 1xut h PRO 66 Cb 1.25 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.97 1xut h PRO 66 CO 0.42 0.59 -0.82 0.91 -0.23 0.00 0.00 178.00 178.88 1xut n TRP 67 N -4.73 2.45 -3.31 1.56 8.01 -1.26 -5.03 117.44 115.14 1xut n TRP 67 Ca -0.07 -3.94 -0.46 0.00 -1.31 0.00 0.00 57.50 51.72 1xut n TRP 67 Cb 0.29 -0.47 -0.03 0.00 -2.01 0.00 0.00 31.31 29.09 1xut n TRP 67 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1xut s SER 68 N -2.65 6.53 -0.22 -0.99 0.15 -1.26 -4.84 113.70 110.42 1xut s SER 68 Ca 0.43 -2.31 -0.07 0.00 0.70 0.00 0.00 55.95 54.69 1xut s SER 68 Cb 0.25 -2.22 -0.19 0.00 -1.71 0.00 0.00 66.02 62.15 1xut s SER 68 CO -0.09 -0.70 -0.03 0.18 1.20 0.00 0.00 173.24 173.79 1xut n LEU 69 N 4.56 2.49 -2.70 3.45 4.32 -1.26 -4.88 117.00 122.98 1xut n LEU 69 Ca 0.03 0.14 -0.06 0.00 -0.02 0.00 0.00 56.01 56.10 1xut n LEU 69 Cb 0.44 -0.95 0.08 0.00 -1.62 0.00 0.00 43.42 41.36 1xut n LEU 69 CO 0.42 0.74 0.46 -1.54 -1.22 0.00 0.00 177.39 176.24 1xut n SER 70 N -3.72 -1.95 -3.87 -1.43 3.41 -1.26 -5.16 113.62 99.63 1xut n SER 70 Ca -0.42 -2.58 -0.16 0.00 -0.26 0.00 0.00 58.87 55.45 1xut n SER 70 Cb 0.94 1.34 0.01 0.00 -0.26 0.00 0.00 64.21 66.23 1xut n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xut s ARG 72 N -3.54 4.33 0.00 0.00 3.00 -1.26 -4.91 118.95 116.57 1xut s ARG 72 Ca 0.25 2.17 0.22 0.00 0.00 0.00 0.00 55.73 58.38 1xut s ARG 72 Cb -0.02 -3.16 0.61 0.00 0.00 0.00 0.00 34.95 32.38 1xut s ARG 72 CO 0.16 -0.34 1.49 1.63 0.00 0.00 0.00 175.30 178.23 1xut n LYS 73 N 2.61 2.04 -0.54 3.54 4.76 -1.26 -4.96 118.16 124.34 1xut n LYS 73 Ca 0.07 -1.55 -0.29 0.00 -2.87 0.00 0.00 58.31 53.67 1xut n LYS 73 Cb 0.41 -1.45 0.24 0.00 -1.84 0.00 0.00 35.03 32.40 1xut n LYS 73 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1xut s GLU 74 N -1.73 -0.71 0.12 1.97 2.12 -1.26 -4.95 118.70 114.24 1xut s GLU 74 Ca 0.34 0.96 0.22 0.00 0.36 0.00 0.00 54.97 56.85 1xut s GLU 74 Cb 0.20 -1.57 -0.11 0.00 0.26 0.00 0.00 34.13 32.90 1xut s GLU 74 CO 0.29 -3.62 0.84 1.04 -0.54 0.00 0.00 175.26 173.27 1xut n GLN 75 N -4.86 0.62 -1.05 4.30 6.02 -1.26 -4.24 117.38 116.92 1xut n GLN 75 Ca 0.04 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 1xut n GLN 75 Cb 0.54 -1.73 0.05 0.00 1.02 0.00 0.00 30.24 30.11 1xut n GLN 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xut n GLY 76 N 1.23 4.62 3.08 1.08 0.00 -1.26 -4.89 105.19 109.06 1xut n GLY 76 Ca -0.03 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.40 0.53 0.25 1.61 1.02 -1.26 -2.41 119.74 117.08 1xut s LYS 77 Ca 0.42 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.58 1xut s LYS 77 Cb 0.32 0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.80 1xut s LYS 77 CO -0.02 -0.12 0.20 -0.59 -0.92 0.00 0.00 175.35 173.91 1xut s PHE 78 N -2.70 1.36 -0.17 3.18 -0.71 0.19 -4.88 117.98 114.25 1xut s PHE 78 Ca -0.04 -1.47 0.00 0.00 -1.04 0.00 0.00 56.93 54.38 1xut s PHE 78 Cb -0.01 -0.59 0.00 0.00 -1.21 0.00 0.00 43.02 41.22 1xut s PHE 78 CO -0.05 -0.74 -0.16 -0.47 -1.34 0.00 0.00 175.22 172.45 1xut s TYR 79 N -3.87 2.79 -0.39 3.49 6.14 -1.26 -0.14 117.35 124.11 1xut s TYR 79 Ca 0.39 -1.23 -0.15 0.00 0.64 0.00 0.00 57.07 56.72 1xut s TYR 79 Cb 0.05 -1.92 0.01 0.00 0.42 0.00 0.00 41.96 40.52 1xut s TYR 79 CO 0.18 -0.59 0.30 0.34 0.64 0.00 0.00 175.55 176.42 1xut s ASP 80 N 1.03 6.11 0.10 4.32 2.15 -0.82 -4.94 116.67 124.62 1xut s ASP 80 Ca -0.01 -0.68 -0.27 0.00 0.43 0.00 0.00 52.55 52.02 1xut s ASP 80 Cb -0.15 -2.16 -0.12 0.00 -0.30 0.00 0.00 42.92 40.19 1xut s ASP 80 CO -0.04 -0.39 1.66 1.12 -0.17 0.00 0.00 175.17 177.35 1xut h HIS 81 N 8.59 -0.53 -0.83 -5.34 2.07 -1.96 0.36 115.15 117.52 1xut h HIS 81 Ca -0.28 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.48 1xut h HIS 81 Cb 1.13 0.20 -0.03 0.00 2.57 0.00 0.00 27.41 31.28 1xut h HIS 81 CO 0.60 -0.30 0.73 1.37 -3.07 0.00 0.00 177.93 177.26 1xut h LEU 82 N -0.45 0.00 0.00 6.12 8.10 -1.96 0.57 115.31 127.69 1xut h LEU 82 Ca -0.01 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.84 1xut h LEU 82 Cb 0.41 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.60 1xut h LEU 82 CO -0.03 0.00 -1.85 0.18 -4.11 0.00 0.00 178.44 172.62 1xut n LEU 83 N -3.84 0.32 -0.67 0.17 4.77 -0.71 -4.97 117.00 112.07 1xut n LEU 83 Ca 0.17 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.20 1xut n LEU 83 Cb 1.02 0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 42.22 1xut n LEU 83 CO 0.32 0.16 -0.08 0.54 -1.33 0.00 0.00 177.39 177.00 1xut n ARG 84 N -2.60 -1.02 -4.48 3.23 1.74 0.20 -4.97 116.66 108.76 1xut n ARG 84 Ca -0.13 0.74 -0.24 0.00 -0.77 0.00 0.00 57.85 57.45 1xut n ARG 84 Cb 0.80 -4.76 -0.08 0.00 -1.02 0.00 0.00 32.46 27.40 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 -2.57 2.55 -0.29 0.55 1.11 -1.18 -5.02 116.67 111.82 1xut s ASP 85 Ca 0.00 -1.63 -0.09 0.00 0.18 0.00 0.00 52.55 51.00 1xut s ASP 85 Cb 0.00 0.44 -0.02 0.00 1.07 0.00 0.00 42.92 44.40 1xut s ASP 85 CO 0.00 -0.90 0.14 0.00 1.18 0.00 0.00 175.17 175.59 1xut s ILE 87 N 1.65 3.37 0.40 0.00 1.09 0.80 -4.96 121.20 123.54 1xut s ILE 87 Ca 0.06 -1.95 0.01 0.00 -1.10 0.00 0.00 60.65 57.67 1xut s ILE 87 Cb -0.16 -2.80 -0.01 0.00 -1.06 0.00 0.00 42.46 38.43 1xut s ILE 87 CO 0.07 -0.37 0.60 -0.94 -0.10 0.00 0.00 174.94 174.20 1xut s SER 88 N -3.65 6.00 -0.21 3.58 1.04 -1.26 0.55 113.70 119.74 1xut s SER 88 Ca 0.31 0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.88 1xut s SER 88 Cb -0.06 -1.65 -0.19 0.00 0.10 0.00 0.00 66.02 64.22 1xut s SER 88 CO 0.19 -0.54 0.06 0.00 0.98 0.00 0.00 173.24 173.94 1xut h ALA 90 N -0.40 1.84 -0.19 0.00 0.00 -1.96 0.36 119.26 118.90 1xut h ALA 90 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xut h ALA 90 Cb 1.64 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1xut h ALA 90 CO -0.17 -0.35 0.00 0.45 0.00 0.00 0.00 179.25 179.18 1xut n SER 91 N -3.77 1.58 -0.58 0.00 2.88 -1.26 -3.82 113.62 108.65 1xut n SER 91 Ca 0.02 -1.76 0.03 0.00 -1.33 0.00 0.00 58.87 55.83 1xut n SER 91 Cb 0.37 -0.13 0.03 0.00 -0.75 0.00 0.00 64.21 63.74 1xut n SER 91 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1xut n ILE 92 N 0.28 0.40 -1.64 2.46 -5.35 0.12 -5.03 119.36 110.61 1xut n ILE 92 Ca 0.15 -0.66 -0.42 0.00 -0.27 0.00 0.00 62.75 61.55 1xut n ILE 92 Cb 0.30 0.42 -0.03 0.00 -1.74 0.00 0.00 39.64 38.59 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 5.00 2.61 2.43 0.00 0.00 -1.26 -4.92 105.19 109.05 1xut n GLY 94 Ca 0.24 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 1.74 -4.24 1.61 6.02 -0.67 -5.09 117.38 116.75 1xut n GLN 95 Ca 0.00 -3.91 -0.14 0.00 -0.01 0.00 0.00 57.00 52.94 1xut n GLN 95 Cb 0.00 -1.84 -0.10 0.00 1.02 0.00 0.00 30.24 29.32 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 -2.56 1.22 0.97 1.08 -3.43 -1.15 -4.93 115.29 106.50 1xut s HIS 96 Ca 0.42 -0.76 -0.12 0.00 -0.80 0.00 0.00 55.06 53.79 1xut s HIS 96 Cb 0.29 -0.63 0.17 0.00 -1.43 0.00 0.00 32.58 30.98 1xut s HIS 96 CO -0.10 0.06 1.10 -1.25 -2.00 0.00 0.00 174.74 172.55 1xut s PRO 97 N -3.66 0.62 0.57 -0.38 0.04 -1.26 -4.84 135.00 126.09 1xut s PRO 97 Ca 0.15 0.46 0.30 0.00 0.04 0.00 0.00 61.00 61.95 1xut s PRO 97 Cb 0.02 -1.76 1.44 0.00 0.04 0.00 0.00 34.50 34.23 1xut s PRO 97 CO 0.00 -2.59 1.82 -0.22 0.04 0.00 0.00 177.00 176.05 1xut h LYS 98 N -1.79 0.00 -0.94 4.56 3.64 -2.01 0.63 116.57 120.66 1xut h LYS 98 Ca -0.53 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.89 1xut h LYS 98 Cb 1.33 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.09 1xut h LYS 98 CO 0.59 0.00 0.61 0.37 -2.27 0.00 0.00 179.45 178.74 1xut h GLN 99 N 0.00 1.11 -0.85 1.90 5.75 -2.03 -0.85 115.11 120.14 1xut h GLN 99 Ca 0.34 -0.07 -0.18 0.00 -0.15 0.00 0.00 58.65 58.59 1xut h GLN 99 Cb 1.64 -0.25 -0.11 0.00 1.07 0.00 0.00 27.48 29.83 1xut h GLN 99 CO -0.00 0.74 0.23 0.00 -2.65 0.00 0.00 178.83 177.14 1xut h ALA 101 N 2.35 1.00 0.00 0.00 0.00 -1.15 -3.03 119.26 118.43 1xut h ALA 101 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xut h ALA 101 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1xut h ALA 101 CO 0.56 0.00 0.00 2.48 0.00 0.00 0.00 179.25 182.29 1xut n TYR 102 N -2.60 0.00 -0.01 0.00 0.18 -1.26 -3.64 117.16 109.84 1xut n TYR 102 Ca 0.04 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.81 1xut n TYR 102 Cb 0.40 -0.07 -0.00 0.00 -0.38 0.00 0.00 39.34 39.29 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 -1.07 0.00 -3.62 -3.48 -0.00 -1.14 -4.94 117.46 103.20 1xut n PHE 103 Ca 0.21 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.37 1xut n PHE 103 Cb 0.14 -0.04 -0.12 0.00 -0.00 0.00 0.00 39.48 39.45 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 3.18 0.22 -0.06 0.00 -0.58 -1.24 -4.21 120.64 117.95 1xut n GLU 105 Ca 0.16 -0.79 -0.08 0.00 -0.42 0.00 0.00 57.16 56.04 1xut n GLU 105 Cb 0.38 0.79 -0.02 0.00 -0.57 0.00 0.00 31.44 32.02 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 0.57 -0.07 -0.19 1.62 7.08 -1.99 -1.47 115.58 121.14 1xut h ASN 106 Ca -0.08 0.05 0.05 0.00 -3.08 0.00 0.00 56.30 53.24 1xut h ASN 106 Cb 0.35 0.08 -0.01 0.00 -2.08 0.00 0.00 38.32 36.66 1xut h ASN 106 CO 0.11 -0.00 0.14 0.07 -2.08 0.00 0.00 177.43 175.66 1xut h LYS 107 N 0.09 0.00 0.00 4.14 5.09 -1.97 -3.43 116.57 120.49 1xut h LYS 107 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.85 1xut h LYS 107 Cb 0.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.47 1xut h LYS 107 CO -0.18 0.00 0.00 1.28 -2.09 0.00 0.00 179.45 178.46 1xut n LEU 108 N -4.47 0.00 0.00 7.07 7.99 -0.55 -5.11 117.00 121.92 1xut n LEU 108 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 1xut n LEU 108 Cb 0.27 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 1xut n LEU 108 CO 0.35 -0.10 0.00 -1.14 -1.51 0.00 0.00 177.39 174.99