#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 4.45 0.00 1.61 0.15 -1.26 -4.95 113.70 113.70 1xut s SER 65 Ca 0.00 -2.38 0.26 0.00 0.70 0.00 0.00 55.95 54.53 1xut s SER 65 Cb 0.00 -1.49 1.44 0.00 -1.71 0.00 0.00 66.02 64.27 1xut s SER 65 CO 0.00 -0.33 1.91 -0.81 1.20 0.00 0.00 173.24 175.21 1xut n PRO 66 N 3.93 0.58 -2.16 5.44 -0.04 -1.26 -4.79 135.00 136.71 1xut n PRO 66 Ca 0.04 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 1xut n PRO 66 Cb 0.38 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.31 2.25 0.07 0.54 0.23 -1.26 -4.49 118.94 113.96 1xut s TRP 67 Ca 0.32 0.54 0.00 0.00 -2.03 0.00 0.00 56.10 54.92 1xut s TRP 67 Cb 0.18 -3.85 0.00 0.00 0.03 0.00 0.00 33.47 29.83 1xut s TRP 67 CO 0.36 -2.93 0.00 -1.13 0.96 0.00 0.00 176.95 174.20 1xut n SER 68 N 7.52 -0.61 -1.56 2.95 3.41 -1.26 -4.94 113.62 119.13 1xut n SER 68 Ca 0.17 0.26 0.04 0.00 -0.26 0.00 0.00 58.87 59.08 1xut n SER 68 Cb 0.44 0.80 0.30 0.00 -0.26 0.00 0.00 64.21 65.49 1xut n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xut n LEU 69 N -2.37 4.60 -4.37 1.04 -0.00 -1.26 -4.98 117.00 109.66 1xut n LEU 69 Ca 0.00 -2.34 -0.31 0.00 -0.00 0.00 0.00 56.01 53.36 1xut n LEU 69 Cb 0.00 -0.65 0.20 0.00 -0.00 0.00 0.00 43.42 42.98 1xut n LEU 69 CO 0.00 0.55 -0.07 -1.20 -0.00 0.00 0.00 177.39 176.66 1xut n SER 70 N 0.42 -2.03 -4.13 1.45 7.64 -1.26 -5.00 113.62 110.71 1xut n SER 70 Ca 0.22 -0.09 -0.33 0.00 1.01 0.00 0.00 58.87 59.68 1xut n SER 70 Cb 0.98 -1.11 -0.16 0.00 -1.01 0.00 0.00 64.21 62.91 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 1.28 2.44 0.36 0.00 1.70 -1.26 -4.63 118.95 118.84 1xut s ARG 72 Ca 0.03 -2.01 0.10 0.00 -0.47 0.00 0.00 55.73 53.37 1xut s ARG 72 Cb -0.14 -3.82 0.67 0.00 -0.57 0.00 0.00 34.95 31.09 1xut s ARG 72 CO -0.11 -1.16 1.83 0.87 -1.08 0.00 0.00 175.30 175.64 1xut h LYS 73 N 7.95 0.15 0.00 3.89 1.57 -1.98 -3.46 116.57 124.69 1xut h LYS 73 Ca -0.12 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1xut h LYS 73 Cb 1.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1xut h LYS 73 CO 0.77 0.44 0.21 -1.91 -0.57 0.00 0.00 179.45 178.40 1xut n GLU 74 N -4.14 1.00 0.14 3.15 0.00 -1.26 -5.04 120.64 114.49 1xut n GLU 74 Ca -0.01 -2.09 0.01 0.00 0.00 0.00 0.00 57.16 55.07 1xut n GLU 74 Cb 0.37 2.54 0.12 0.00 0.00 0.00 0.00 31.44 34.47 1xut n GLU 74 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1xut h GLN 75 N 0.00 0.00 -2.49 5.31 4.20 -2.03 -3.34 115.11 116.75 1xut h GLN 75 Ca -0.30 0.00 -0.81 0.00 0.06 0.00 0.00 58.65 57.60 1xut h GLN 75 Cb 1.13 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.63 1xut h GLN 75 CO 0.38 0.57 0.92 0.41 -0.67 0.00 0.00 178.83 180.44 1xut n GLY 76 N 0.82 5.78 3.31 3.46 0.00 -1.26 -4.96 105.19 112.34 1xut n GLY 76 Ca 0.01 -2.62 -0.14 0.00 0.00 0.00 0.00 46.02 43.27 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 -3.76 1.49 0.13 1.61 3.01 -1.26 -4.44 119.74 116.52 1xut s LYS 77 Ca 0.36 -1.71 -0.02 0.00 -1.01 0.00 0.00 55.97 53.58 1xut s LYS 77 Cb 0.14 0.33 -0.03 0.00 -1.01 0.00 0.00 37.83 37.26 1xut s LYS 77 CO -0.04 -0.54 0.09 -0.59 0.51 0.00 0.00 175.35 174.78 1xut s PHE 78 N -3.80 0.78 -0.23 3.18 -0.12 -0.26 -4.97 117.98 112.56 1xut s PHE 78 Ca 0.37 -1.16 0.00 0.00 -0.05 0.00 0.00 56.93 56.09 1xut s PHE 78 Cb 0.04 -0.41 0.03 0.00 -0.63 0.00 0.00 43.02 42.05 1xut s PHE 78 CO 0.17 -0.55 -0.11 -0.47 -0.05 0.00 0.00 175.22 174.21 1xut s TYR 79 N -4.03 3.03 -0.27 3.49 6.14 -1.26 -0.93 117.35 123.51 1xut s TYR 79 Ca 0.23 -1.74 -0.25 0.00 0.64 0.00 0.00 57.07 55.94 1xut s TYR 79 Cb 0.07 -1.99 0.00 0.00 0.42 0.00 0.00 41.96 40.46 1xut s TYR 79 CO 0.01 -0.78 0.88 0.34 0.64 0.00 0.00 175.55 176.64 1xut s ASP 80 N 1.27 6.83 0.05 4.32 2.15 -1.00 -4.95 116.67 125.34 1xut s ASP 80 Ca -0.00 0.97 -0.24 0.00 0.43 0.00 0.00 52.55 53.71 1xut s ASP 80 Cb -0.16 -2.46 -0.17 0.00 -0.30 0.00 0.00 42.92 39.83 1xut s ASP 80 CO -0.07 -0.62 1.58 1.12 -0.17 0.00 0.00 175.17 177.01 1xut h HIS 81 N 7.84 -0.02 0.00 -5.34 2.07 -1.97 0.21 115.15 117.94 1xut h HIS 81 Ca -0.22 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.29 1xut h HIS 81 Cb 1.08 0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.07 1xut h HIS 81 CO 0.77 0.15 0.01 1.37 -3.07 0.00 0.00 177.93 177.16 1xut h LEU 82 N -0.18 0.00 0.00 6.12 8.10 -1.97 -1.67 115.31 125.71 1xut h LEU 82 Ca -0.00 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.85 1xut h LEU 82 Cb 0.17 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.37 1xut h LEU 82 CO 0.00 0.00 -2.05 0.18 -4.11 0.00 0.00 178.44 172.46 1xut n LEU 83 N -2.89 0.00 -0.82 0.17 4.77 -0.99 -4.98 117.00 112.26 1xut n LEU 83 Ca -0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1xut n LEU 83 Cb 0.07 0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1xut n LEU 83 CO 0.17 0.19 -0.10 0.54 -1.33 0.00 0.00 177.39 176.86 1xut n ARG 84 N -2.39 -1.21 -4.33 3.23 1.74 0.70 -4.96 116.66 109.44 1xut n ARG 84 Ca -0.15 0.84 -0.26 0.00 -0.77 0.00 0.00 57.85 57.51 1xut n ARG 84 Cb 0.76 -4.99 -0.06 0.00 -1.02 0.00 0.00 32.46 27.15 1xut n ARG 84 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1xut n ASP 85 N -0.59 2.08 -4.36 0.55 8.00 -1.21 -5.02 116.55 116.01 1xut n ASP 85 Ca -0.11 -3.03 -0.39 0.00 0.71 0.00 0.00 54.79 51.97 1xut n ASP 85 Cb 0.47 0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 42.15 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 1.53 3.41 0.34 0.00 1.09 -0.11 -4.98 121.20 122.48 1xut s ILE 87 Ca 0.02 -1.05 0.07 0.00 -1.10 0.00 0.00 60.65 58.59 1xut s ILE 87 Cb -0.19 -2.53 -0.01 0.00 -1.06 0.00 0.00 42.46 38.68 1xut s ILE 87 CO 0.05 0.26 0.47 -0.44 -0.10 0.00 0.00 174.94 175.18 1xut s SER 88 N -1.77 5.93 -0.22 3.58 0.01 -1.26 -1.11 113.70 118.86 1xut s SER 88 Ca 0.19 -0.21 -0.14 0.00 1.31 0.00 0.00 55.95 57.10 1xut s SER 88 Cb -0.11 -1.18 -0.18 0.00 0.21 0.00 0.00 66.02 64.76 1xut s SER 88 CO 0.10 -0.46 0.03 0.00 0.41 0.00 0.00 173.24 173.33 1xut h ALA 90 N -0.46 2.41 0.00 0.00 0.00 -1.96 0.73 119.26 119.99 1xut h ALA 90 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xut h ALA 90 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1xut h ALA 90 CO -0.20 -0.65 0.00 0.43 0.00 0.00 0.00 179.25 178.83 1xut n SER 91 N -4.42 0.00 -0.54 0.00 7.64 -1.26 -3.36 113.62 111.68 1xut n SER 91 Ca 0.16 -0.33 0.02 0.00 1.01 0.00 0.00 58.87 59.74 1xut n SER 91 Cb 0.72 -0.21 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.21 0.39 -1.72 0.44 -5.35 0.23 -5.07 119.36 107.08 1xut n ILE 92 Ca 0.16 -0.60 -0.42 0.00 -0.27 0.00 0.00 62.75 61.61 1xut n ILE 92 Cb 0.19 0.41 -0.03 0.00 -1.74 0.00 0.00 39.64 38.47 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 4.83 1.72 2.27 0.00 0.00 -1.26 -4.92 105.19 107.83 1xut n GLY 94 Ca 0.22 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 0.99 -4.39 1.61 6.02 -0.87 -5.10 117.38 115.64 1xut n GLN 95 Ca 0.00 -3.32 -0.20 0.00 -0.01 0.00 0.00 57.00 53.47 1xut n GLN 95 Cb 0.00 -1.63 -0.10 0.00 1.02 0.00 0.00 30.24 29.53 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 -2.44 1.83 1.15 1.08 -3.43 -1.14 -4.97 115.29 107.37 1xut s HIS 96 Ca 0.38 -0.72 -0.13 0.00 -0.80 0.00 0.00 55.06 53.79 1xut s HIS 96 Cb 0.36 -1.02 0.25 0.00 -1.43 0.00 0.00 32.58 30.75 1xut s HIS 96 CO -0.06 0.23 0.89 -2.30 -2.00 0.00 0.00 174.74 171.49 1xut n PRO 97 N -0.51 -2.17 0.22 -0.38 -0.02 -1.26 -4.82 135.00 126.06 1xut n PRO 97 Ca -0.06 -0.60 0.13 0.00 -2.02 0.00 0.00 63.50 60.95 1xut n PRO 97 Cb 0.63 -2.12 0.75 0.00 -0.02 0.00 0.00 33.50 32.74 1xut n PRO 97 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1xut h LYS 98 N -2.53 0.00 -0.15 -0.52 2.10 -2.01 -1.20 116.57 112.25 1xut h LYS 98 Ca -0.59 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.08 1xut h LYS 98 Cb 1.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.65 1xut h LYS 98 CO 0.47 0.00 0.11 -0.56 -2.00 0.00 0.00 179.45 177.46 1xut h GLN 99 N 0.00 0.11 -0.89 0.07 3.07 -2.04 -0.46 115.11 114.98 1xut h GLN 99 Ca 0.05 -0.01 -0.21 0.00 0.09 0.00 0.00 58.65 58.58 1xut h GLN 99 Cb 0.23 -0.03 -0.12 0.00 0.08 0.00 0.00 27.48 27.64 1xut h GLN 99 CO -0.00 0.07 0.26 0.00 0.09 0.00 0.00 178.83 179.25 1xut h ALA 101 N 2.16 0.51 0.00 0.00 0.00 -1.18 -3.08 119.26 117.66 1xut h ALA 101 Ca 0.25 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xut h ALA 101 Cb 1.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1xut h ALA 101 CO 0.57 0.94 0.00 0.10 0.00 0.00 0.00 179.25 180.86 1xut h TYR 102 N 0.09 0.00 0.00 0.00 -0.00 -1.80 -3.12 116.97 112.14 1xut h TYR 102 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.69 1xut h TYR 102 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.26 1xut h TYR 102 CO 0.03 0.00 -0.65 0.34 -0.00 0.00 0.00 178.16 177.87 1xut n PHE 103 N -2.40 0.44 -3.43 0.10 -0.00 -1.18 -4.93 117.46 106.06 1xut n PHE 103 Ca -0.00 0.19 -0.22 0.00 -0.00 0.00 0.00 57.45 57.42 1xut n PHE 103 Cb 0.11 -0.59 -0.11 0.00 -0.00 0.00 0.00 39.48 38.90 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 4.75 0.17 -0.12 0.00 -0.58 -0.46 -4.16 120.64 120.24 1xut n GLU 105 Ca 0.04 -0.61 -0.03 0.00 -0.42 0.00 0.00 57.16 56.14 1xut n GLU 105 Cb 0.43 0.61 -0.03 0.00 -0.57 0.00 0.00 31.44 31.88 1xut n GLU 105 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xut n ASN 106 N -1.88 -0.31 -3.02 1.62 3.02 -1.26 -1.11 115.26 112.32 1xut n ASN 106 Ca -0.00 1.17 -0.36 0.00 -0.03 0.00 0.00 54.58 55.36 1xut n ASN 106 Cb 0.13 -0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 1xut n ASN 106 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1xut n LYS 107 N -3.63 3.51 -3.18 3.52 2.85 -1.26 -4.78 118.16 115.19 1xut n LYS 107 Ca 0.01 -3.33 0.05 0.00 -1.05 0.00 0.00 58.31 53.98 1xut n LYS 107 Cb 0.08 -2.34 -0.02 0.00 -0.65 0.00 0.00 35.03 32.10 1xut n LYS 107 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1xut s LEU 108 N -3.11 -0.46 0.00 -5.58 1.98 -0.26 -5.00 118.68 106.25 1xut s LEU 108 Ca 0.52 0.34 0.15 0.00 -2.89 0.00 0.00 54.13 52.25 1xut s LEU 108 Cb 0.32 1.41 0.88 0.00 0.66 0.00 0.00 46.19 49.46 1xut s LEU 108 CO -0.24 -0.09 1.29 -1.14 -1.89 0.00 0.00 176.35 174.29