#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 1.99 0.16 1.61 0.01 -1.26 -5.04 113.70 111.17 1xut s SER 65 Ca 0.00 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.80 1xut s SER 65 Cb 0.00 -0.90 0.03 0.00 0.21 0.00 0.00 66.02 65.36 1xut s SER 65 CO 0.00 0.02 1.64 1.55 0.41 0.00 0.00 173.24 176.86 1xut h PRO 66 N 7.16 0.87 -5.91 12.44 0.13 -2.03 -3.43 132.00 141.22 1xut h PRO 66 Ca -0.30 -0.24 -0.67 0.00 -0.87 0.00 0.00 66.00 63.93 1xut h PRO 66 Cb 1.18 -0.10 -0.31 0.00 0.13 0.00 0.00 31.00 31.90 1xut h PRO 66 CO 0.47 0.85 -0.88 1.67 -0.23 0.00 0.00 178.00 179.89 1xut s TRP 67 N -5.19 2.28 0.07 1.56 -2.14 -1.26 -4.87 118.94 109.39 1xut s TRP 67 Ca -0.13 -0.66 0.00 0.00 2.66 0.00 0.00 56.10 57.97 1xut s TRP 67 Cb 0.12 -1.50 0.00 0.00 -3.10 0.00 0.00 33.47 28.99 1xut s TRP 67 CO 0.81 -0.20 0.00 0.45 -2.66 0.00 0.00 176.95 175.35 1xut n SER 68 N 2.95 -0.63 -0.26 -2.66 2.88 -1.26 -4.95 113.62 109.69 1xut n SER 68 Ca -0.17 0.36 0.08 0.00 -1.33 0.00 0.00 58.87 57.80 1xut n SER 68 Cb 0.52 0.85 -0.02 0.00 -0.75 0.00 0.00 64.21 64.81 1xut n SER 68 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xut n LEU 69 N -2.54 1.36 -0.28 2.46 4.32 -1.26 -4.50 117.00 116.55 1xut n LEU 69 Ca 0.00 -0.70 0.05 0.00 -0.02 0.00 0.00 56.01 55.34 1xut n LEU 69 Cb 0.00 0.00 0.26 0.00 -1.62 0.00 0.00 43.42 42.06 1xut n LEU 69 CO 0.00 0.27 1.24 -1.28 -1.22 0.00 0.00 177.39 176.41 1xut h SER 70 N 1.28 0.86 -5.64 -1.43 0.87 -1.92 -3.45 113.55 104.12 1xut h SER 70 Ca 0.00 0.01 -0.34 0.00 -1.23 0.00 0.00 61.79 60.23 1xut h SER 70 Cb 0.49 -0.18 -0.09 0.00 -0.44 0.00 0.00 62.40 62.18 1xut h SER 70 CO 0.00 0.55 -0.28 0.00 -0.53 0.00 0.00 176.83 176.57 1xut s ARG 72 N -3.13 2.21 0.00 0.00 1.81 -1.26 -4.85 118.95 113.73 1xut s ARG 72 Ca 0.34 -1.37 0.13 0.00 -1.72 0.00 0.00 55.73 53.11 1xut s ARG 72 Cb 0.00 -2.56 0.61 0.00 -0.45 0.00 0.00 34.95 32.55 1xut s ARG 72 CO 0.23 -0.95 1.39 1.63 -0.68 0.00 0.00 175.30 176.92 1xut n LYS 73 N -2.37 0.08 -1.53 3.54 5.02 -1.26 -4.84 118.16 116.79 1xut n LYS 73 Ca 0.14 0.23 -0.53 0.00 -2.02 0.00 0.00 58.31 56.12 1xut n LYS 73 Cb 0.61 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 1xut n LYS 73 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xut n GLU 74 N -1.41 0.61 0.14 1.97 1.02 -1.26 -4.86 120.64 116.85 1xut n GLU 74 Ca 0.05 0.22 0.01 0.00 -0.02 0.00 0.00 57.16 57.41 1xut n GLU 74 Cb 0.13 -1.70 0.11 0.00 -0.02 0.00 0.00 31.44 29.96 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 3.29 0.00 -0.96 3.49 4.15 -2.05 -3.26 115.11 119.78 1xut h GLN 75 Ca -0.46 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.10 1xut h GLN 75 Cb 1.38 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.99 1xut h GLN 75 CO 0.69 0.59 0.61 0.78 -1.93 0.00 0.00 178.83 179.56 1xut h GLY 76 N 2.72 1.47 -2.10 2.39 0.00 -1.98 -3.42 103.07 102.15 1xut h GLY 76 Ca -0.01 -0.37 -0.46 0.00 0.00 0.00 0.00 47.33 46.50 1xut h GLY 76 CO 0.08 0.12 -0.18 0.54 0.00 0.00 0.00 176.54 177.09 1xut s LYS 77 N -5.83 2.56 0.25 4.80 1.02 -1.23 -3.24 119.74 118.07 1xut s LYS 77 Ca -0.11 -1.45 -0.21 0.00 0.02 0.00 0.00 55.97 54.22 1xut s LYS 77 Cb 0.22 -2.69 0.03 0.00 -0.52 0.00 0.00 37.83 34.87 1xut s LYS 77 CO 0.80 -0.56 0.67 -0.59 -0.92 0.00 0.00 175.35 174.75 1xut s PHE 78 N -2.51 -0.20 -0.11 3.18 -0.12 -0.81 -4.93 117.98 112.48 1xut s PHE 78 Ca 0.58 -0.21 0.02 0.00 -0.05 0.00 0.00 56.93 57.27 1xut s PHE 78 Cb -0.08 0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1xut s PHE 78 CO 0.36 -1.14 -0.19 -0.47 -0.05 0.00 0.00 175.22 173.72 1xut s TYR 79 N -3.90 2.67 -0.30 3.49 6.14 -1.26 -0.70 117.35 123.49 1xut s TYR 79 Ca 0.10 -0.90 -0.07 0.00 0.64 0.00 0.00 57.07 56.84 1xut s TYR 79 Cb -0.05 -1.77 0.01 0.00 0.42 0.00 0.00 41.96 40.57 1xut s TYR 79 CO 0.04 -0.34 0.09 0.34 0.64 0.00 0.00 175.55 176.31 1xut s ASP 80 N 0.37 5.16 0.13 4.32 2.15 -0.77 -4.93 116.67 123.10 1xut s ASP 80 Ca -0.15 -0.71 -0.19 0.00 0.43 0.00 0.00 52.55 51.92 1xut s ASP 80 Cb -0.17 -1.89 -0.04 0.00 -0.30 0.00 0.00 42.92 40.52 1xut s ASP 80 CO 0.07 -0.20 1.76 1.12 -0.17 0.00 0.00 175.17 177.75 1xut h HIS 81 N 8.24 0.17 -0.14 -5.34 2.07 -1.96 0.53 115.15 118.72 1xut h HIS 81 Ca -0.31 0.01 0.04 0.00 -2.85 0.00 0.00 60.37 57.26 1xut h HIS 81 Cb 1.13 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.05 1xut h HIS 81 CO 0.61 0.09 0.24 1.37 -3.07 0.00 0.00 177.93 177.18 1xut h LEU 82 N 0.21 0.00 0.00 6.12 8.10 -1.96 0.02 115.31 127.80 1xut h LEU 82 Ca 0.09 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.94 1xut h LEU 82 Cb 0.04 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.23 1xut h LEU 82 CO -0.08 0.00 -2.15 0.18 -4.11 0.00 0.00 178.44 172.28 1xut n LEU 83 N -3.46 0.00 -0.57 0.17 4.77 -0.55 -4.98 117.00 112.39 1xut n LEU 83 Ca 0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 1xut n LEU 83 Cb 0.35 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1xut n LEU 83 CO 0.23 0.20 -0.07 0.54 -1.33 0.00 0.00 177.39 176.96 1xut n ARG 84 N -2.46 -1.12 -4.48 3.23 1.74 0.18 -4.96 116.66 108.79 1xut n ARG 84 Ca -0.16 0.68 -0.25 0.00 -0.77 0.00 0.00 57.85 57.36 1xut n ARG 84 Cb 0.81 -4.72 -0.08 0.00 -1.02 0.00 0.00 32.46 27.44 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 -2.46 2.59 -0.46 0.55 1.01 -1.20 -5.01 116.67 111.70 1xut s ASP 85 Ca 0.00 -1.69 -0.12 0.00 0.71 0.00 0.00 52.55 51.45 1xut s ASP 85 Cb 0.00 0.52 0.09 0.00 1.01 0.00 0.00 42.92 44.54 1xut s ASP 85 CO 0.00 -0.96 0.34 0.00 0.21 0.00 0.00 175.17 174.77 1xut s ILE 87 N 1.51 5.19 0.68 0.00 1.09 0.12 -4.91 121.20 124.88 1xut s ILE 87 Ca 0.04 0.81 -0.07 0.00 -1.10 0.00 0.00 60.65 60.33 1xut s ILE 87 Cb -0.25 -3.77 0.05 0.00 -1.06 0.00 0.00 42.46 37.43 1xut s ILE 87 CO 0.03 0.27 0.99 -0.94 -0.10 0.00 0.00 174.94 175.19 1xut s SER 88 N 0.91 5.04 -0.19 3.58 1.04 -1.26 -1.92 113.70 120.89 1xut s SER 88 Ca 0.22 0.55 -0.04 0.00 0.48 0.00 0.00 55.95 57.15 1xut s SER 88 Cb -0.15 -1.29 -0.21 0.00 0.10 0.00 0.00 66.02 64.47 1xut s SER 88 CO 0.08 -1.45 0.08 0.00 0.98 0.00 0.00 173.24 172.93 1xut h ALA 90 N -0.03 1.15 -0.00 0.00 0.00 -1.96 -2.54 119.26 115.88 1xut h ALA 90 Ca -0.50 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1xut h ALA 90 Cb 1.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1xut h ALA 90 CO -0.02 0.56 -0.00 0.43 0.00 0.00 0.00 179.25 180.21 1xut n SER 91 N -4.06 0.01 -0.53 0.00 7.64 -1.26 -3.41 113.62 112.01 1xut n SER 91 Ca -0.01 -0.18 0.07 0.00 1.01 0.00 0.00 58.87 59.76 1xut n SER 91 Cb 0.45 -0.27 0.19 0.00 -1.01 0.00 0.00 64.21 63.57 1xut n SER 91 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1xut n ILE 92 N -1.27 2.09 -1.21 0.44 -5.35 -0.96 -5.02 119.36 108.07 1xut n ILE 92 Ca 0.15 -3.01 -0.36 0.00 -0.27 0.00 0.00 62.75 59.26 1xut n ILE 92 Cb 0.24 -0.20 0.08 0.00 -1.74 0.00 0.00 39.64 38.01 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 1.61 1.23 2.97 0.00 0.00 -1.26 -4.65 105.19 105.09 1xut n GLY 94 Ca 0.10 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 2.57 -4.23 1.61 6.02 -1.11 -5.05 117.38 117.20 1xut n GLN 95 Ca 0.00 -4.52 -0.13 0.00 -0.01 0.00 0.00 57.00 52.34 1xut n GLN 95 Cb 0.00 -2.37 -0.10 0.00 1.02 0.00 0.00 30.24 28.79 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 -1.65 1.17 0.89 1.08 -3.43 -1.19 -4.88 115.29 107.29 1xut s HIS 96 Ca 0.29 -0.79 -0.15 0.00 -0.80 0.00 0.00 55.06 53.61 1xut s HIS 96 Cb -0.03 -0.61 0.22 0.00 -1.43 0.00 0.00 32.58 30.73 1xut s HIS 96 CO -0.11 0.02 0.87 -0.35 -2.00 0.00 0.00 174.74 173.18 1xut n PRO 97 N -0.11 -2.24 0.23 -0.38 -0.04 -1.26 -4.87 135.00 126.33 1xut n PRO 97 Ca -0.11 -1.38 0.09 0.00 -0.04 0.00 0.00 63.50 62.05 1xut n PRO 97 Cb 0.60 -1.19 0.57 0.00 -0.04 0.00 0.00 33.50 33.44 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 0.40 0.54 3.64 -2.02 -2.94 116.57 116.20 1xut h LYS 98 Ca -0.32 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1xut h LYS 98 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1xut h LYS 98 CO 0.21 0.21 -0.20 0.37 -2.27 0.00 0.00 179.45 177.77 1xut h GLN 99 N 0.00 -0.53 0.00 1.90 4.15 -2.06 -2.04 115.11 116.53 1xut h GLN 99 Ca -0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1xut h GLN 99 Cb 0.47 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1xut h GLN 99 CO 0.03 -0.35 0.00 0.00 -1.93 0.00 0.00 178.83 176.57 1xut h ALA 101 N 3.37 1.99 -0.00 0.00 0.00 -1.19 0.78 119.26 124.20 1xut h ALA 101 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xut h ALA 101 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xut h ALA 101 CO 0.00 -0.71 -0.01 2.48 0.00 0.00 0.00 179.25 181.01 1xut n TYR 102 N -3.35 0.00 0.00 0.00 0.18 -1.25 -3.01 117.16 109.73 1xut n TYR 102 Ca 0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.84 1xut n TYR 102 Cb 0.68 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.62 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 -0.77 0.00 -2.06 -3.48 -0.00 0.27 -4.67 117.46 106.75 1xut n PHE 103 Ca 0.22 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.39 1xut n PHE 103 Cb 0.18 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 39.68 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 -0.66 1.05 -0.32 0.00 2.13 -1.16 -4.15 120.64 117.53 1xut n GLU 105 Ca 0.46 -0.67 -0.06 0.00 0.66 0.00 0.00 57.16 57.54 1xut n GLU 105 Cb 0.78 0.33 -0.04 0.00 0.27 0.00 0.00 31.44 32.77 1xut n GLU 105 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1xut n ASN 106 N -1.78 -0.72 -4.72 4.31 0.23 -1.26 -4.17 115.26 107.14 1xut n ASN 106 Ca -0.02 1.37 -0.41 0.00 -0.53 0.00 0.00 54.58 54.99 1xut n ASN 106 Cb 0.12 -0.22 -0.04 0.00 -2.08 0.00 0.00 39.78 37.56 1xut n ASN 106 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1xut s LYS 107 N -5.49 4.53 0.06 -3.83 -2.85 -1.26 -5.00 119.74 105.89 1xut s LYS 107 Ca -0.10 1.20 -0.21 0.00 -1.00 0.00 0.00 55.97 55.87 1xut s LYS 107 Cb 0.11 -3.43 0.07 0.00 -2.06 0.00 0.00 37.83 32.51 1xut s LYS 107 CO 0.50 0.06 0.97 1.47 0.10 0.00 0.00 175.35 178.45 1xut n LEU 108 N 3.58 0.00 0.00 2.77 -0.00 -1.26 -4.34 117.00 117.75 1xut n LEU 108 Ca 0.02 -0.73 0.00 0.00 -0.00 0.00 0.00 56.01 55.30 1xut n LEU 108 Cb 0.51 1.89 0.00 0.00 -0.00 0.00 0.00 43.42 45.82 1xut n LEU 108 CO 0.50 -0.24 0.00 -1.14 -0.00 0.00 0.00 177.39 176.50