#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xut n SER 65 N 0.00 -1.98 0.00 1.61 7.64 -1.26 -4.75 113.62 114.88 1xut n SER 65 Ca 0.00 -3.51 0.00 0.00 1.01 0.00 0.00 58.87 56.37 1xut n SER 65 Cb 0.00 1.59 0.00 0.00 -1.01 0.00 0.00 64.21 64.79 1xut n SER 65 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1xut n PRO 66 N 0.25 0.00 -2.88 1.43 -0.04 -1.26 -4.34 135.00 128.16 1xut n PRO 66 Ca 0.07 0.43 -0.43 0.00 -0.04 0.00 0.00 63.50 63.52 1xut n PRO 66 Cb 0.71 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 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 -2.47 2.73 -0.38 0.54 0.51 -1.26 -4.88 118.94 113.74 1xut s TRP 67 Ca 0.00 -0.47 0.05 0.00 -2.12 0.00 0.00 56.10 53.56 1xut s TRP 67 Cb 0.00 -4.20 0.45 0.00 -0.81 0.00 0.00 33.47 28.91 1xut s TRP 67 CO 0.00 -1.55 1.36 0.45 -0.51 0.00 0.00 176.95 176.70 1xut n SER 68 N 7.53 5.49 -0.07 2.95 2.88 -1.26 -4.60 113.62 126.53 1xut n SER 68 Ca -0.03 -3.76 -0.07 0.00 -1.33 0.00 0.00 58.87 53.68 1xut n SER 68 Cb 0.46 -0.48 -0.12 0.00 -0.75 0.00 0.00 64.21 63.32 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 -0.74 0.01 -4.08 2.46 4.32 -1.26 -4.78 117.00 112.93 1xut n LEU 69 Ca 0.48 -0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 56.11 1xut n LEU 69 Cb 0.89 0.37 -0.08 0.00 -1.62 0.00 0.00 43.42 42.97 1xut n LEU 69 CO 0.48 0.37 0.16 -0.94 -1.22 0.00 0.00 177.39 176.24 1xut s SER 70 N -4.86 5.52 0.01 -1.43 1.04 -1.26 -5.03 113.70 107.69 1xut s SER 70 Ca -0.08 -3.31 -0.23 0.00 0.48 0.00 0.00 55.95 52.82 1xut s SER 70 Cb 0.04 -1.86 0.05 0.00 0.10 0.00 0.00 66.02 64.35 1xut s SER 70 CO 0.62 -0.27 0.51 0.00 0.98 0.00 0.00 173.24 175.08 1xut s ARG 72 N -1.94 0.98 0.45 0.00 1.81 -1.26 -4.92 118.95 114.07 1xut s ARG 72 Ca -0.08 0.67 0.31 0.00 -1.72 0.00 0.00 55.73 54.91 1xut s ARG 72 Cb -0.01 -1.79 1.27 0.00 -0.45 0.00 0.00 34.95 33.96 1xut s ARG 72 CO 0.02 -2.39 1.90 0.87 -0.68 0.00 0.00 175.30 175.02 1xut h LYS 73 N -1.65 0.00 -6.69 3.54 1.57 -2.03 -3.45 116.57 107.86 1xut h LYS 73 Ca -0.51 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.72 1xut h LYS 73 Cb 1.30 0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.81 1xut h LYS 73 CO 0.56 0.00 -0.46 0.39 -0.57 0.00 0.00 179.45 179.37 1xut n GLU 74 N -2.80 0.13 0.02 3.15 1.02 -1.26 -4.94 120.64 115.96 1xut n GLU 74 Ca 0.01 0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 57.07 1xut n GLU 74 Cb 0.27 -1.84 -0.14 0.00 -0.02 0.00 0.00 31.44 29.72 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 -0.73 0.19 -3.11 3.49 4.15 -2.04 -3.39 115.11 113.67 1xut h GLN 75 Ca -0.45 -0.32 -0.73 0.00 0.77 0.00 0.00 58.65 57.91 1xut h GLN 75 Cb 1.33 0.12 -0.11 0.00 0.21 0.00 0.00 27.48 29.03 1xut h GLN 75 CO 0.40 0.98 2.54 0.41 -1.93 0.00 0.00 178.83 181.23 1xut n GLY 76 N 1.77 4.85 2.99 2.39 0.00 -1.26 -4.89 105.19 111.04 1xut n GLY 76 Ca -0.23 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.72 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 0.25 0.13 0.33 1.61 1.02 -1.26 -3.89 119.74 117.93 1xut s LYS 77 Ca 0.50 0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.69 1xut s LYS 77 Cb 0.15 0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1xut s LYS 77 CO -0.05 -0.02 0.11 -0.59 -0.92 0.00 0.00 175.35 173.88 1xut s PHE 78 N 0.09 1.74 -0.22 3.18 -0.12 0.28 -4.96 117.98 117.96 1xut s PHE 78 Ca -0.00 -1.19 -0.02 0.00 -0.05 0.00 0.00 56.93 55.67 1xut s PHE 78 Cb -0.01 -1.07 0.01 0.00 -0.63 0.00 0.00 43.02 41.32 1xut s PHE 78 CO 0.00 -0.27 -0.09 -0.47 -0.05 0.00 0.00 175.22 174.34 1xut s TYR 79 N -3.43 2.96 -0.32 3.49 6.14 -1.26 0.75 117.35 125.67 1xut s TYR 79 Ca 0.33 -1.34 -0.17 0.00 0.64 0.00 0.00 57.07 56.52 1xut s TYR 79 Cb 0.06 -2.04 -0.02 0.00 0.42 0.00 0.00 41.96 40.38 1xut s TYR 79 CO 0.15 -0.68 0.47 0.34 0.64 0.00 0.00 175.55 176.47 1xut s ASP 80 N 1.37 6.31 0.09 4.32 2.15 -0.32 -4.88 116.67 125.71 1xut s ASP 80 Ca 0.03 0.11 -0.22 0.00 0.43 0.00 0.00 52.55 52.91 1xut s ASP 80 Cb -0.15 -2.25 -0.13 0.00 -0.30 0.00 0.00 42.92 40.09 1xut s ASP 80 CO -0.06 -0.37 1.69 1.12 -0.17 0.00 0.00 175.17 177.38 1xut h HIS 81 N 8.32 0.09 -0.08 -5.34 2.07 -1.95 0.86 115.15 119.12 1xut h HIS 81 Ca -0.29 -0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.25 1xut h HIS 81 Cb 1.14 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 31.08 1xut h HIS 81 CO 0.73 0.12 0.21 1.37 -3.07 0.00 0.00 177.93 177.30 1xut h LEU 82 N 0.03 0.00 0.00 6.12 -0.00 -1.96 -1.24 115.31 118.26 1xut h LEU 82 Ca 0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.74 1xut h LEU 82 Cb 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.69 1xut h LEU 82 CO -0.00 0.00 -1.96 0.18 -0.00 0.00 0.00 178.44 176.66 1xut n LEU 83 N -3.27 0.00 0.00 0.17 4.77 -0.81 -4.99 117.00 112.87 1xut n LEU 83 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1xut n LEU 83 Cb 0.30 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1xut n LEU 83 CO 0.20 0.22 0.00 -1.14 -1.33 0.00 0.00 177.39 175.35 1xut n ARG 84 N -2.38 -0.82 -4.40 3.23 0.63 0.29 -4.98 116.66 108.24 1xut n ARG 84 Ca -0.16 0.21 -0.28 0.00 -0.92 0.00 0.00 57.85 56.69 1xut n ARG 84 Cb 0.77 -3.83 -0.06 0.00 0.45 0.00 0.00 32.46 29.79 1xut n ARG 84 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1xut n ASP 85 N -0.41 2.67 -4.35 6.15 8.00 -1.17 -4.97 116.55 122.46 1xut n ASP 85 Ca 0.00 -3.05 -0.42 0.00 0.71 0.00 0.00 54.79 52.04 1xut n ASP 85 Cb 0.21 0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 41.73 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 1.54 4.45 0.35 0.00 1.09 0.23 -4.85 121.20 124.02 1xut s ILE 87 Ca 0.03 -0.97 0.07 0.00 -1.10 0.00 0.00 60.65 58.68 1xut s ILE 87 Cb -0.22 -3.22 -0.01 0.00 -1.06 0.00 0.00 42.46 37.95 1xut s ILE 87 CO 0.05 -0.01 0.45 -0.44 -0.10 0.00 0.00 174.94 174.90 1xut s SER 88 N -2.80 5.82 -0.22 3.58 0.01 -1.26 0.98 113.70 119.81 1xut s SER 88 Ca 0.30 -0.27 -0.00 0.00 1.31 0.00 0.00 55.95 57.28 1xut s SER 88 Cb -0.11 -1.11 -0.19 0.00 0.21 0.00 0.00 66.02 64.82 1xut s SER 88 CO 0.22 -0.46 -0.08 0.00 0.41 0.00 0.00 173.24 173.33 1xut h ALA 90 N 0.01 1.27 0.00 0.00 0.00 -1.95 -1.48 119.26 117.11 1xut h ALA 90 Ca -0.54 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1xut h ALA 90 Cb 1.93 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1xut h ALA 90 CO -0.05 0.53 0.00 0.43 0.00 0.00 0.00 179.25 180.17 1xut n SER 91 N -4.31 0.22 -0.44 0.00 7.64 -1.26 -2.59 113.62 112.87 1xut n SER 91 Ca 0.05 0.56 0.07 0.00 1.01 0.00 0.00 58.87 60.55 1xut n SER 91 Cb 0.18 -0.60 0.13 0.00 -1.01 0.00 0.00 64.21 62.90 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 -1.75 1.49 -1.80 0.44 -5.35 -0.62 -5.05 119.36 106.73 1xut n ILE 92 Ca 0.03 -2.07 -0.42 0.00 -0.27 0.00 0.00 62.75 60.01 1xut n ILE 92 Cb 0.18 0.01 -0.03 0.00 -1.74 0.00 0.00 39.64 38.06 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 4.65 2.46 2.32 0.00 0.00 -1.26 -4.91 105.19 108.46 1xut n GLY 94 Ca 0.21 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 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 1.20 -4.47 1.61 1.13 -0.93 -5.09 117.38 110.82 1xut n GLN 95 Ca 0.00 -3.48 -0.23 0.00 -1.94 0.00 0.00 57.00 51.35 1xut n GLN 95 Cb 0.00 -1.68 -0.10 0.00 0.11 0.00 0.00 30.24 28.57 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 -2.63 2.14 1.07 1.08 -3.43 -1.07 -4.96 115.29 107.48 1xut s HIS 96 Ca 0.39 -0.58 -0.17 0.00 -0.80 0.00 0.00 55.06 53.90 1xut s HIS 96 Cb 0.36 -1.18 0.26 0.00 -1.43 0.00 0.00 32.58 30.59 1xut s HIS 96 CO -0.07 0.44 0.59 -2.30 -2.00 0.00 0.00 174.74 171.41 1xut n PRO 97 N -0.65 -3.34 0.19 -0.38 -0.02 -1.26 -4.85 135.00 124.69 1xut n PRO 97 Ca -0.05 -0.99 0.14 0.00 -2.02 0.00 0.00 63.50 60.57 1xut n PRO 97 Cb 0.63 -1.42 0.46 0.00 -0.02 0.00 0.00 33.50 33.14 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 0.00 0.00 -0.01 -0.52 5.09 -2.01 -3.06 116.57 116.06 1xut h LYS 98 Ca -0.27 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.33 1xut h LYS 98 Cb 0.90 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.22 1xut h LYS 98 CO 0.16 0.00 -0.67 -0.56 -2.09 0.00 0.00 179.45 176.30 1xut h GLN 99 N 0.00 0.05 -0.83 0.07 3.07 -2.04 -2.99 115.11 112.45 1xut h GLN 99 Ca 0.00 -0.04 -0.15 0.00 0.09 0.00 0.00 58.65 58.56 1xut h GLN 99 Cb 0.64 0.01 -0.09 0.00 0.08 0.00 0.00 27.48 28.12 1xut h GLN 99 CO 0.00 0.69 0.19 0.00 0.09 0.00 0.00 178.83 179.80 1xut h ALA 101 N 2.56 0.84 0.00 0.00 0.00 -1.64 -3.07 119.26 117.95 1xut h ALA 101 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xut h ALA 101 Cb 1.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1xut h ALA 101 CO 0.52 0.45 0.00 0.10 0.00 0.00 0.00 179.25 180.32 1xut h TYR 102 N 0.00 0.00 0.00 0.00 -0.00 -1.81 -3.16 116.97 112.00 1xut h TYR 102 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.67 1xut h TYR 102 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.83 1xut h TYR 102 CO 0.00 0.00 -0.59 0.35 -0.00 0.00 0.00 178.16 177.92 1xut h PHE 103 N 0.00 0.00 -2.03 0.10 3.04 -1.85 -3.46 116.94 112.74 1xut h PHE 103 Ca 0.00 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.67 1xut h PHE 103 Cb 0.44 0.00 -0.32 0.00 2.56 0.00 0.00 35.95 38.63 1xut h PHE 103 CO 0.00 0.42 -0.60 0.00 -2.02 0.00 0.00 178.31 176.11 1xut n GLU 105 N 5.33 0.24 -0.34 0.00 -0.58 -1.19 -4.14 120.64 119.95 1xut n GLU 105 Ca -0.02 -0.49 0.18 0.00 -0.42 0.00 0.00 57.16 56.41 1xut n GLU 105 Cb 0.48 0.64 0.40 0.00 -0.57 0.00 0.00 31.44 32.38 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 0.53 0.65 -3.34 1.62 7.08 -2.00 -3.37 115.58 116.75 1xut h ASN 106 Ca -0.08 0.14 -0.63 0.00 -3.08 0.00 0.00 56.30 52.65 1xut h ASN 106 Cb 0.32 0.05 -0.21 0.00 -2.08 0.00 0.00 38.32 36.40 1xut h ASN 106 CO 0.11 0.07 -0.64 -0.54 -2.08 0.00 0.00 177.43 174.35 1xut s LYS 107 N -5.76 3.72 -0.29 4.14 -0.14 -1.26 -5.08 119.74 115.06 1xut s LYS 107 Ca -0.11 -0.48 -0.13 0.00 -1.36 0.00 0.00 55.97 53.89 1xut s LYS 107 Cb 0.28 -3.02 0.12 0.00 -1.68 0.00 0.00 37.83 33.52 1xut s LYS 107 CO 0.80 0.19 0.74 -1.17 -0.76 0.00 0.00 175.35 175.14 1xut s LEU 108 N 0.54 -0.95 0.00 3.17 1.98 -1.26 -4.59 118.68 117.56 1xut s LEU 108 Ca -0.01 1.39 0.23 0.00 -2.89 0.00 0.00 54.13 52.85 1xut s LEU 108 Cb -0.14 2.20 0.18 0.00 0.66 0.00 0.00 46.19 49.10 1xut s LEU 108 CO 0.02 -0.20 1.23 -1.14 -1.89 0.00 0.00 176.35 174.37