#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 7.02 0.07 1.61 1.04 -1.26 -4.96 113.70 117.22 1xut s SER 65 Ca 0.00 1.63 -0.29 0.00 0.48 0.00 0.00 55.95 57.78 1xut s SER 65 Cb 0.00 -2.54 -0.14 0.00 0.10 0.00 0.00 66.02 63.44 1xut s SER 65 CO 0.00 -0.68 1.45 -0.65 0.98 0.00 0.00 173.24 174.33 1xut h PRO 66 N 7.80 -0.77 -7.22 4.02 0.11 -2.03 -3.44 132.00 130.47 1xut h PRO 66 Ca -0.27 0.05 -0.46 0.00 0.11 0.00 0.00 66.00 65.44 1xut h PRO 66 Cb 1.11 0.17 0.07 0.00 0.11 0.00 0.00 31.00 32.46 1xut h PRO 66 CO 0.95 -0.51 0.20 -1.58 -0.21 0.00 0.00 178.00 176.84 1xut s TRP 67 N -5.26 3.00 -0.29 0.65 0.51 -1.26 -5.01 118.94 111.28 1xut s TRP 67 Ca -0.14 0.46 0.23 0.00 -2.12 0.00 0.00 56.10 54.53 1xut s TRP 67 Cb 0.03 -3.04 0.00 0.00 -0.81 0.00 0.00 33.47 29.65 1xut s TRP 67 CO 0.48 -1.22 1.01 0.45 -0.51 0.00 0.00 176.95 177.16 1xut n SER 68 N -2.79 0.74 -0.03 2.95 2.88 -1.26 -3.85 113.62 112.25 1xut n SER 68 Ca 0.07 0.23 0.15 0.00 -1.33 0.00 0.00 58.87 58.00 1xut n SER 68 Cb 0.60 0.60 0.89 0.00 -0.75 0.00 0.00 64.21 65.54 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 -2.52 0.09 -4.55 2.46 4.77 -1.26 -4.90 117.00 111.09 1xut n LEU 69 Ca 0.00 -0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.59 1xut n LEU 69 Cb 0.53 -0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.71 1xut n LEU 69 CO 0.40 0.02 0.34 -0.24 -1.33 0.00 0.00 177.39 176.58 1xut n SER 70 N -0.91 -0.28 -4.21 -1.43 2.88 -1.25 -5.01 113.62 103.42 1xut n SER 70 Ca 0.23 0.60 -0.32 0.00 -1.33 0.00 0.00 58.87 58.05 1xut n SER 70 Cb 0.12 -1.33 -0.17 0.00 -0.75 0.00 0.00 64.21 62.08 1xut n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xut s ARG 72 N 0.43 1.63 0.01 0.00 1.81 -1.26 -4.68 118.95 116.89 1xut s ARG 72 Ca -0.17 -1.88 0.11 0.00 -1.72 0.00 0.00 55.73 52.07 1xut s ARG 72 Cb -0.18 -3.31 -0.22 0.00 -0.45 0.00 0.00 34.95 30.79 1xut s ARG 72 CO 0.07 -0.98 0.86 0.87 -0.68 0.00 0.00 175.30 175.44 1xut h LYS 73 N 7.71 0.00 0.00 3.54 1.79 -1.98 -3.48 116.57 124.14 1xut h LYS 73 Ca -0.06 -0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.28 1xut h LYS 73 Cb 1.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.64 1xut h LYS 73 CO 0.57 0.66 -0.12 -1.91 -1.08 0.00 0.00 179.45 177.57 1xut n GLU 74 N -3.14 0.36 -0.03 3.15 2.13 -1.26 -5.07 120.64 116.78 1xut n GLU 74 Ca -0.11 -0.85 -0.06 0.00 0.66 0.00 0.00 57.16 56.80 1xut n GLU 74 Cb 1.02 0.61 -0.13 0.00 0.27 0.00 0.00 31.44 33.21 1xut n GLU 74 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1xut n GLN 75 N -0.18 0.64 -2.74 5.31 -0.06 -1.26 -4.46 117.38 114.63 1xut n GLN 75 Ca 0.01 0.18 -0.41 0.00 -2.00 0.00 0.00 57.00 54.78 1xut n GLN 75 Cb 0.15 -1.72 0.02 0.00 -4.06 0.00 0.00 30.24 24.63 1xut n GLN 75 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xut n GLY 76 N 1.55 5.89 3.32 1.69 0.00 -1.26 -4.97 105.19 111.41 1xut n GLY 76 Ca -0.18 -2.61 -0.17 0.00 0.00 0.00 0.00 46.02 43.06 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 -3.94 1.31 0.25 1.61 1.02 -1.26 -3.51 119.74 115.23 1xut s LYS 77 Ca 0.37 -1.65 0.02 0.00 0.02 0.00 0.00 55.97 54.72 1xut s LYS 77 Cb 0.16 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.80 1xut s LYS 77 CO -0.07 -0.07 0.16 -0.59 -0.92 0.00 0.00 175.35 173.85 1xut s PHE 78 N -3.40 1.41 -0.19 3.18 -0.71 0.71 -4.91 117.98 114.07 1xut s PHE 78 Ca 0.27 -1.40 -0.02 0.00 -1.04 0.00 0.00 56.93 54.74 1xut s PHE 78 Cb 0.05 -0.70 -0.01 0.00 -1.21 0.00 0.00 43.02 41.15 1xut s PHE 78 CO 0.08 -0.61 -0.09 -0.47 -1.34 0.00 0.00 175.22 172.80 1xut s TYR 79 N -3.86 2.90 -0.45 3.49 6.14 -1.26 -1.23 117.35 123.08 1xut s TYR 79 Ca 0.38 -0.97 -0.15 0.00 0.64 0.00 0.00 57.07 56.97 1xut s TYR 79 Cb 0.06 -2.02 0.06 0.00 0.42 0.00 0.00 41.96 40.48 1xut s TYR 79 CO 0.16 -0.51 0.35 0.34 0.64 0.00 0.00 175.55 176.53 1xut s ASP 80 N 1.19 6.07 0.18 4.32 2.15 -1.04 -4.96 116.67 124.58 1xut s ASP 80 Ca 0.02 -1.22 -0.13 0.00 0.43 0.00 0.00 52.55 51.65 1xut s ASP 80 Cb -0.14 -2.15 0.15 0.00 -0.30 0.00 0.00 42.92 40.48 1xut s ASP 80 CO -0.03 -0.58 1.77 1.12 -0.17 0.00 0.00 175.17 177.28 1xut h HIS 81 N 8.68 0.39 -0.10 -5.34 2.07 -1.96 0.74 115.15 119.63 1xut h HIS 81 Ca -0.27 0.02 0.03 0.00 -2.85 0.00 0.00 60.37 57.30 1xut h HIS 81 Cb 1.11 -0.10 -0.00 0.00 2.57 0.00 0.00 27.41 30.99 1xut h HIS 81 CO 0.61 0.16 0.21 1.37 -3.07 0.00 0.00 177.93 177.21 1xut h LEU 82 N 0.42 0.00 0.00 6.12 8.10 -1.97 -0.98 115.31 127.01 1xut h LEU 82 Ca 0.23 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.09 1xut h LEU 82 Cb 0.20 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.39 1xut h LEU 82 CO -0.20 0.00 -1.93 0.18 -4.11 0.00 0.00 178.44 172.38 1xut n LEU 83 N -3.36 0.00 -0.40 0.17 4.77 -0.18 -4.99 117.00 113.02 1xut n LEU 83 Ca -0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1xut n LEU 83 Cb 0.30 0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1xut n LEU 83 CO 0.21 0.18 -0.05 0.54 -1.33 0.00 0.00 177.39 176.95 1xut n ARG 84 N -2.32 -1.09 -4.36 3.23 1.74 0.24 -4.97 116.66 109.12 1xut n ARG 84 Ca -0.14 0.57 -0.27 0.00 -0.77 0.00 0.00 57.85 57.24 1xut n ARG 84 Cb 0.71 -4.54 -0.07 0.00 -1.02 0.00 0.00 32.46 27.55 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 -0.40 2.20 -4.42 0.55 8.00 -1.22 -5.01 116.55 116.25 1xut n ASP 85 Ca -0.05 -3.05 -0.40 0.00 0.71 0.00 0.00 54.79 52.00 1xut n ASP 85 Cb 0.35 0.67 -0.11 0.00 -0.02 0.00 0.00 41.12 42.01 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 1.60 3.82 0.39 0.00 1.09 -0.36 -4.96 121.20 122.77 1xut s ILE 87 Ca 0.04 -1.64 0.01 0.00 -1.10 0.00 0.00 60.65 57.95 1xut s ILE 87 Cb -0.18 -3.02 -0.02 0.00 -1.06 0.00 0.00 42.46 38.18 1xut s ILE 87 CO 0.07 -0.30 0.60 -0.44 -0.10 0.00 0.00 174.94 174.77 1xut s SER 88 N -3.55 6.06 -0.11 3.58 0.01 -1.26 -0.21 113.70 118.23 1xut s SER 88 Ca 0.31 0.33 0.13 0.00 1.31 0.00 0.00 55.95 58.03 1xut s SER 88 Cb -0.08 -1.75 -0.24 0.00 0.21 0.00 0.00 66.02 64.17 1xut s SER 88 CO 0.21 -0.49 0.41 0.00 0.41 0.00 0.00 173.24 173.78 1xut h ALA 90 N 0.93 -0.54 -0.07 0.00 0.00 -1.96 -1.50 119.26 116.13 1xut h ALA 90 Ca -0.40 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1xut h ALA 90 Cb 2.10 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 20.20 1xut h ALA 90 CO 0.06 -0.82 0.16 0.77 0.00 0.00 0.00 179.25 179.42 1xut h SER 91 N -0.55 0.00 -0.36 0.00 0.02 -1.97 -0.25 113.55 110.43 1xut h SER 91 Ca -0.02 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.77 1xut h SER 91 Cb 0.48 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.92 1xut h SER 91 CO -0.00 0.00 -0.03 2.30 -1.14 0.00 0.00 176.83 177.96 1xut n ILE 92 N -3.34 2.53 -1.89 3.27 -5.35 -0.73 -5.02 119.36 108.82 1xut n ILE 92 Ca -0.01 -2.54 -0.42 0.00 -0.27 0.00 0.00 62.75 59.51 1xut n ILE 92 Cb 0.25 -0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 37.80 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 3.98 2.87 2.40 0.00 0.00 -1.26 -4.86 105.19 108.33 1xut n GLY 94 Ca 0.16 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 1.47 -4.38 1.61 3.00 -0.89 -5.10 117.38 113.09 1xut n GLN 95 Ca 0.00 -3.64 -0.23 0.00 -0.01 0.00 0.00 57.00 53.12 1xut n GLN 95 Cb 0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 30.24 28.39 1xut n GLN 95 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 1xut s HIS 96 N -2.76 1.99 1.27 1.08 -3.43 -1.03 -4.92 115.29 107.48 1xut s HIS 96 Ca 0.40 -0.44 -0.18 0.00 -0.80 0.00 0.00 55.06 54.04 1xut s HIS 96 Cb 0.36 -0.95 0.31 0.00 -1.43 0.00 0.00 32.58 30.87 1xut s HIS 96 CO -0.07 0.45 1.01 -1.25 -2.00 0.00 0.00 174.74 172.87 1xut s PRO 97 N -3.05 -1.72 0.52 -0.38 0.04 -1.26 -4.85 135.00 124.30 1xut s PRO 97 Ca 0.21 0.29 0.17 0.00 0.04 0.00 0.00 61.00 61.70 1xut s PRO 97 Cb -0.05 -1.51 1.29 0.00 0.04 0.00 0.00 34.50 34.27 1xut s PRO 97 CO 0.09 -4.11 2.15 -0.22 0.04 0.00 0.00 177.00 174.94 1xut h LYS 98 N -2.88 0.00 -1.00 4.56 3.64 -2.01 -2.09 116.57 116.79 1xut h LYS 98 Ca -0.50 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 58.99 1xut h LYS 98 Cb 1.33 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.07 1xut h LYS 98 CO 0.39 0.00 0.63 0.37 -2.27 0.00 0.00 179.45 178.57 1xut h GLN 99 N 0.00 0.99 -0.90 1.90 5.75 -2.00 0.13 115.11 120.97 1xut h GLN 99 Ca 0.01 -0.06 -0.18 0.00 -0.15 0.00 0.00 58.65 58.27 1xut h GLN 99 Cb 0.03 -0.22 -0.11 0.00 1.07 0.00 0.00 27.48 28.25 1xut h GLN 99 CO -0.00 0.65 0.23 0.00 -2.65 0.00 0.00 178.83 177.06 1xut n ALA 101 N -0.13 1.63 1.41 0.00 0.00 0.46 -2.11 120.51 121.79 1xut n ALA 101 Ca 0.27 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.95 1xut n ALA 101 Cb 1.03 -1.39 0.46 0.00 0.00 0.00 0.00 19.45 19.55 1xut n ALA 101 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1xut n TYR 102 N -2.28 0.00 0.00 0.00 0.18 -1.26 -3.68 117.16 110.11 1xut n TYR 102 Ca 0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.80 1xut n TYR 102 Cb 0.22 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.17 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 0.20 0.00 -2.58 -3.48 -0.00 -0.90 -4.40 117.46 106.30 1xut n PHE 103 Ca 0.18 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.38 1xut n PHE 103 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.86 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 -0.38 0.08 -1.04 0.00 2.13 -1.24 -4.18 120.64 116.01 1xut n GLU 105 Ca 0.34 -0.62 -0.32 0.00 0.66 0.00 0.00 57.16 57.23 1xut n GLU 105 Cb 0.64 0.51 -0.11 0.00 0.27 0.00 0.00 31.44 32.75 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 -2.69 1.29 0.00 4.31 0.23 -1.26 -2.33 115.26 114.82 1xut n ASN 106 Ca 0.01 -2.51 0.00 0.00 -0.53 0.00 0.00 54.58 51.55 1xut n ASN 106 Cb 0.11 -1.09 0.00 0.00 -2.08 0.00 0.00 39.78 36.72 1xut n ASN 106 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xut n LYS 107 N 8.02 0.00 -4.76 -3.83 4.76 -1.26 -4.98 118.16 116.12 1xut n LYS 107 Ca 0.45 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.60 1xut n LYS 107 Cb 0.44 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.46 1xut n LYS 107 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xut s LEU 108 N -4.56 1.83 0.00 -0.35 1.98 -0.98 -5.06 118.68 111.54 1xut s LEU 108 Ca 0.00 -0.44 0.00 0.00 -2.89 0.00 0.00 54.13 50.80 1xut s LEU 108 Cb 0.00 -1.12 0.00 0.00 0.66 0.00 0.00 46.19 45.73 1xut s LEU 108 CO 0.00 0.07 0.00 -1.14 -1.89 0.00 0.00 176.35 173.39