#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 2.51 -0.16 1.61 1.04 -1.26 -4.91 113.70 112.53 1xut s SER 65 Ca 0.00 1.94 0.05 0.00 0.48 0.00 0.00 55.95 58.42 1xut s SER 65 Cb 0.00 -2.47 0.38 0.00 0.10 0.00 0.00 66.02 64.03 1xut s SER 65 CO 0.00 -3.32 1.26 -0.81 0.98 0.00 0.00 173.24 171.35 1xut n PRO 66 N -4.36 2.44 -1.16 4.02 -0.04 -1.26 -4.33 135.00 130.30 1xut n PRO 66 Ca 0.09 -1.55 -0.27 0.00 -0.04 0.00 0.00 63.50 61.74 1xut n PRO 66 Cb 0.53 -1.77 0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1xut n PRO 66 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1xut n TRP 67 N 0.06 2.77 -2.67 0.54 5.03 -1.26 -4.23 117.44 117.68 1xut n TRP 67 Ca 0.20 -2.36 -0.04 0.00 3.03 0.00 0.00 57.50 58.33 1xut n TRP 67 Cb 0.87 -1.15 0.09 0.00 -1.03 0.00 0.00 31.31 30.09 1xut n TRP 67 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 1xut n SER 68 N -0.73 -1.51 0.15 -0.99 7.64 -1.26 -5.00 113.62 111.92 1xut n SER 68 Ca 0.54 -2.15 -0.14 0.00 1.01 0.00 0.00 58.87 58.13 1xut n SER 68 Cb 0.98 0.83 -0.08 0.00 -1.01 0.00 0.00 64.21 64.93 1xut n SER 68 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1xut h LEU 69 N 1.40 -0.28 -4.97 -3.43 3.38 -1.91 -3.43 115.31 106.08 1xut h LEU 69 Ca -0.36 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.43 1xut h LEU 69 Cb 1.27 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.99 1xut h LEU 69 CO -0.12 -0.10 0.08 -1.54 0.09 0.00 0.00 178.44 176.85 1xut n SER 70 N -5.18 -1.27 -4.74 -0.43 3.41 -1.26 -5.16 113.62 98.98 1xut n SER 70 Ca -0.09 -1.80 -0.33 0.00 -0.26 0.00 0.00 58.87 56.39 1xut n SER 70 Cb 0.19 0.99 -0.07 0.00 -0.26 0.00 0.00 64.21 65.06 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 -3.88 3.70 0.00 0.00 0.52 -1.26 -4.97 118.95 113.06 1xut s ARG 72 Ca 0.00 0.53 0.14 0.00 -0.52 0.00 0.00 55.73 55.89 1xut s ARG 72 Cb -0.00 -2.28 0.46 0.00 0.52 0.00 0.00 34.95 33.64 1xut s ARG 72 CO 0.00 -0.23 1.36 1.63 0.02 0.00 0.00 175.30 178.08 1xut n LYS 73 N -1.90 1.83 -1.74 3.54 4.01 -1.26 -4.94 118.16 117.70 1xut n LYS 73 Ca 0.03 -1.28 -0.42 0.00 -0.51 0.00 0.00 58.31 56.13 1xut n LYS 73 Cb 0.54 -1.32 -0.01 0.00 -0.51 0.00 0.00 35.03 33.73 1xut n LYS 73 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1xut n GLU 74 N 0.53 2.53 0.00 1.97 4.71 -1.26 -4.88 120.64 124.24 1xut n GLU 74 Ca 0.14 0.89 0.16 0.00 -0.01 0.00 0.00 57.16 58.34 1xut n GLU 74 Cb 0.32 -2.61 0.87 0.00 -1.01 0.00 0.00 31.44 29.01 1xut n GLU 74 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1xut n GLN 75 N 1.21 0.78 -0.06 3.49 3.00 -1.26 -3.36 117.38 121.19 1xut n GLN 75 Ca 0.05 -0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.11 1xut n GLN 75 Cb 0.37 -1.50 0.35 0.00 0.00 0.00 0.00 30.24 29.45 1xut n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xut n GLY 76 N 1.11 -0.26 3.04 1.08 0.00 -1.26 -4.84 105.19 104.07 1xut n GLY 76 Ca 0.20 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.85 0.47 0.41 1.61 1.02 -1.21 -3.30 119.74 116.89 1xut s LYS 77 Ca 0.25 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.57 1xut s LYS 77 Cb 0.13 -0.15 -0.07 0.00 -0.52 0.00 0.00 37.83 37.21 1xut s LYS 77 CO 0.19 0.01 0.04 -0.59 -0.92 0.00 0.00 175.35 174.09 1xut s PHE 78 N -1.55 2.53 -0.11 3.18 -0.12 -0.54 -4.95 117.98 116.43 1xut s PHE 78 Ca -0.11 -0.64 0.02 0.00 -0.05 0.00 0.00 56.93 56.16 1xut s PHE 78 Cb -0.09 -1.79 -0.01 0.00 -0.63 0.00 0.00 43.02 40.50 1xut s PHE 78 CO -0.00 0.40 -0.19 -0.47 -0.05 0.00 0.00 175.22 174.91 1xut s TYR 79 N -2.68 2.66 -0.25 3.49 6.14 -1.26 -0.96 117.35 124.50 1xut s TYR 79 Ca 0.36 -0.81 -0.08 0.00 0.64 0.00 0.00 57.07 57.19 1xut s TYR 79 Cb 0.08 -1.75 -0.03 0.00 0.42 0.00 0.00 41.96 40.67 1xut s TYR 79 CO 0.19 -0.29 0.09 0.34 0.64 0.00 0.00 175.55 176.52 1xut s ASP 80 N 0.25 5.32 -0.00 4.32 2.15 -0.58 -4.91 116.67 123.23 1xut s ASP 80 Ca -0.13 -0.15 -0.24 0.00 0.43 0.00 0.00 52.55 52.46 1xut s ASP 80 Cb -0.16 -1.96 -0.18 0.00 -0.30 0.00 0.00 42.92 40.31 1xut s ASP 80 CO 0.07 -0.02 1.32 1.12 -0.17 0.00 0.00 175.17 177.49 1xut h HIS 81 N 8.10 0.10 -0.15 -5.34 2.07 -1.96 0.35 115.15 118.31 1xut h HIS 81 Ca -0.37 -0.03 0.04 0.00 -2.85 0.00 0.00 60.37 57.16 1xut h HIS 81 Cb 1.18 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 31.13 1xut h HIS 81 CO 0.67 0.52 0.29 1.37 -3.07 0.00 0.00 177.93 177.71 1xut h LEU 82 N -0.35 0.00 0.00 6.12 8.10 -1.96 -0.18 115.31 127.04 1xut h LEU 82 Ca 0.01 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.83 1xut h LEU 82 Cb 0.50 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.68 1xut h LEU 82 CO 0.01 0.00 -2.07 0.18 -4.11 0.00 0.00 178.44 172.45 1xut n LEU 83 N -3.38 0.00 -0.49 0.17 4.77 -1.13 -4.98 117.00 111.95 1xut n LEU 83 Ca 0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 1xut n LEU 83 Cb 0.39 0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 1xut n LEU 83 CO 0.22 0.23 -0.06 0.54 -1.33 0.00 0.00 177.39 176.98 1xut n ARG 84 N -2.43 -0.89 -4.61 3.23 1.74 0.12 -4.98 116.66 108.84 1xut n ARG 84 Ca -0.17 0.63 -0.28 0.00 -0.77 0.00 0.00 57.85 57.26 1xut n ARG 84 Cb 0.80 -4.52 -0.09 0.00 -1.02 0.00 0.00 32.46 27.63 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 -2.51 3.34 -0.54 0.55 1.01 -1.12 -5.00 116.67 112.40 1xut s ASP 85 Ca 0.00 -1.58 -0.12 0.00 0.71 0.00 0.00 52.55 51.56 1xut s ASP 85 Cb 0.00 0.30 0.14 0.00 1.01 0.00 0.00 42.92 44.36 1xut s ASP 85 CO 0.00 -0.79 0.46 0.00 0.21 0.00 0.00 175.17 175.05 1xut s ILE 87 N 1.26 5.02 0.83 0.00 1.09 -0.14 -4.90 121.20 124.37 1xut s ILE 87 Ca 0.06 1.20 -0.12 0.00 -1.10 0.00 0.00 60.65 60.69 1xut s ILE 87 Cb -0.26 -3.95 0.09 0.00 -1.06 0.00 0.00 42.46 37.28 1xut s ILE 87 CO -0.00 0.12 1.15 -0.94 -0.10 0.00 0.00 174.94 175.17 1xut s SER 88 N 1.16 4.31 -0.19 3.58 1.04 -1.26 -1.46 113.70 120.88 1xut s SER 88 Ca 0.29 0.94 -0.09 0.00 0.48 0.00 0.00 55.95 57.57 1xut s SER 88 Cb -0.16 -1.52 -0.21 0.00 0.10 0.00 0.00 66.02 64.23 1xut s SER 88 CO 0.11 -2.04 0.11 0.00 0.98 0.00 0.00 173.24 172.40 1xut h ALA 90 N -0.19 1.57 0.00 0.00 0.00 -1.95 -1.88 119.26 116.81 1xut h ALA 90 Ca -0.48 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1xut h ALA 90 Cb 1.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1xut h ALA 90 CO -0.08 0.29 0.00 1.03 0.00 0.00 0.00 179.25 180.49 1xut h SER 91 N 0.00 0.00 -0.06 0.00 0.87 -1.95 -3.01 113.55 109.39 1xut h SER 91 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1xut h SER 91 Cb 0.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1xut h SER 91 CO 0.03 0.00 -0.22 2.30 -0.53 0.00 0.00 176.83 178.41 1xut n ILE 92 N -2.54 2.14 -1.63 2.23 -5.35 -0.73 -5.03 119.36 108.44 1xut n ILE 92 Ca 0.02 -2.71 -0.45 0.00 -0.27 0.00 0.00 62.75 59.34 1xut n ILE 92 Cb 0.30 -0.25 -0.04 0.00 -1.74 0.00 0.00 39.64 37.91 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 4.97 3.50 2.42 0.00 0.00 -1.26 -4.93 105.19 109.89 1xut n GLY 94 Ca 0.25 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 1.81 -4.35 1.61 1.13 -0.91 -5.09 117.38 111.58 1xut n GLN 95 Ca 0.00 -4.00 -0.19 0.00 -1.94 0.00 0.00 57.00 50.87 1xut n GLN 95 Cb 0.00 -1.83 -0.10 0.00 0.11 0.00 0.00 30.24 28.42 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 -2.35 1.74 1.20 1.08 -3.43 -1.18 -4.96 115.29 107.38 1xut s HIS 96 Ca 0.41 -0.55 -0.13 0.00 -0.80 0.00 0.00 55.06 53.99 1xut s HIS 96 Cb 0.24 -0.81 0.30 0.00 -1.43 0.00 0.00 32.58 30.88 1xut s HIS 96 CO -0.09 0.36 1.02 -1.25 -2.00 0.00 0.00 174.74 172.79 1xut s PRO 97 N -3.51 -1.18 0.57 -0.38 0.04 -1.26 -4.81 135.00 124.47 1xut s PRO 97 Ca 0.22 0.80 0.27 0.00 0.04 0.00 0.00 61.00 62.32 1xut s PRO 97 Cb -0.02 -1.53 1.59 0.00 0.04 0.00 0.00 34.50 34.59 1xut s PRO 97 CO 0.07 -3.89 2.11 -0.22 0.04 0.00 0.00 177.00 175.11 1xut h LYS 98 N -2.74 0.00 -0.53 4.56 3.64 -2.01 -1.06 116.57 118.44 1xut h LYS 98 Ca -0.63 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.73 1xut h LYS 98 Cb 1.34 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 1xut h LYS 98 CO 0.50 0.00 0.26 0.37 -2.27 0.00 0.00 179.45 178.31 1xut h GLN 99 N 0.00 0.74 -0.83 1.90 4.15 -2.06 -1.70 115.11 117.31 1xut h GLN 99 Ca 0.09 -0.09 -0.17 0.00 0.77 0.00 0.00 58.65 59.26 1xut h GLN 99 Cb 0.45 -0.14 -0.10 0.00 0.21 0.00 0.00 27.48 27.90 1xut h GLN 99 CO -0.00 0.57 0.21 0.00 -1.93 0.00 0.00 178.83 177.68 1xut h ALA 101 N 2.50 1.00 0.00 0.00 0.00 -1.34 -3.11 119.26 118.31 1xut h ALA 101 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 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 -3.07 0.00 -0.01 0.00 0.18 -1.26 -3.47 117.16 109.54 1xut n TYR 102 Ca 0.03 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.81 1xut n TYR 102 Cb 0.49 -0.26 -0.00 0.00 -0.38 0.00 0.00 39.34 39.19 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 -1.26 0.00 -3.69 -3.48 -0.00 -1.18 -4.74 117.46 103.12 1xut n PHE 103 Ca 0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.29 1xut n PHE 103 Cb 0.19 -0.04 -0.12 0.00 -0.00 0.00 0.00 39.48 39.50 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 2.97 0.31 -0.30 0.00 -0.58 -0.69 -4.16 120.64 118.20 1xut n GLU 105 Ca 0.16 -0.62 0.22 0.00 -0.42 0.00 0.00 57.16 56.51 1xut n GLU 105 Cb 0.38 0.77 0.51 0.00 -0.57 0.00 0.00 31.44 32.54 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 0.43 -0.40 1.62 7.08 -1.99 0.57 115.58 123.46 1xut h ASN 106 Ca -0.09 0.07 -0.04 0.00 -3.08 0.00 0.00 56.30 53.15 1xut h ASN 106 Cb 0.35 -0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.57 1xut h ASN 106 CO 0.12 0.11 0.08 0.11 -2.08 0.00 0.00 177.43 175.78 1xut h LYS 107 N 0.39 0.65 -2.78 4.14 1.57 -1.96 -3.40 116.57 115.18 1xut h LYS 107 Ca 0.56 -0.16 -0.48 0.00 -1.87 0.00 0.00 60.65 58.69 1xut h LYS 107 Cb 1.43 -0.08 -0.39 0.00 0.08 0.00 0.00 32.23 33.26 1xut h LYS 107 CO -0.25 0.68 -0.75 -1.17 -0.57 0.00 0.00 179.45 177.39 1xut s LEU 108 N -9.60 0.38 0.00 2.94 1.98 0.17 -5.07 118.68 109.48 1xut s LEU 108 Ca -0.13 -1.01 0.00 0.00 -2.89 0.00 0.00 54.13 50.10 1xut s LEU 108 Cb 0.10 -0.20 0.00 0.00 0.66 0.00 0.00 46.19 46.75 1xut s LEU 108 CO 0.77 -0.41 0.00 0.54 -1.89 0.00 0.00 176.35 175.36