#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ike s SER 72 N 0.00 7.01 0.20 -1.43 1.04 -1.26 0.12 113.70 119.38 2ike s SER 72 Ca 0.00 1.22 0.09 0.00 0.48 0.00 0.00 55.95 57.73 2ike s SER 72 Cb 0.00 -2.42 -0.05 0.00 0.10 0.00 0.00 66.02 63.66 2ike s SER 72 CO 0.00 -0.11 -0.17 0.00 0.98 0.00 0.00 173.24 173.95 2ike s LEU 74 N -3.09 3.53 1.12 0.00 1.43 -1.26 -0.56 118.68 119.86 2ike s LEU 74 Ca 0.21 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 2ike s LEU 74 Cb -0.03 -1.91 0.26 0.00 0.03 0.00 0.00 46.19 44.54 2ike s LEU 74 CO 0.08 0.08 1.05 0.42 0.23 0.00 0.00 176.35 178.21 2ike s THR 75 N 0.91 2.05 0.60 5.49 -4.23 -0.44 -4.69 115.64 115.33 2ike s THR 75 Ca 0.03 0.02 0.28 0.00 -1.18 0.00 0.00 61.69 60.84 2ike s THR 75 Cb -0.14 -2.14 0.37 0.00 1.34 0.00 0.00 72.50 71.93 2ike s THR 75 CO 0.02 -0.02 1.86 -0.65 -0.54 0.00 0.00 174.62 175.30 2ike h PRO 76 N -2.45 0.00 -0.69 3.99 0.11 -1.91 0.95 132.00 132.00 2ike h PRO 76 Ca -0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.52 2ike h PRO 76 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2ike h PRO 76 CO 0.51 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.05 2ike n ASP 77 N -3.57 3.69 -1.94 -2.05 9.92 -1.26 -4.93 116.55 116.42 2ike n ASP 77 Ca 0.07 -2.00 -0.12 0.00 -0.53 0.00 0.00 54.79 52.21 2ike n ASP 77 Cb 0.67 -0.46 0.03 0.00 -0.64 0.00 0.00 41.12 40.72 2ike n ASP 77 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2ike n ASN 78 N 1.52 -4.14 -4.78 -2.24 3.02 0.33 -5.02 115.26 103.96 2ike n ASN 78 Ca 0.23 -0.23 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 2ike n ASN 78 Cb 0.58 -2.83 -0.07 0.00 -0.61 0.00 0.00 39.78 36.85 2ike n ASN 78 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ike s LYS 79 N -5.47 3.97 -0.00 3.52 2.36 -1.25 -4.76 119.74 118.11 2ike s LYS 79 Ca 0.25 -0.12 -0.36 0.00 -2.55 0.00 0.00 55.97 53.19 2ike s LYS 79 Cb -0.11 -3.34 -0.15 0.00 -1.05 0.00 0.00 37.83 33.18 2ike s LYS 79 CO 0.31 0.45 1.61 -2.30 1.55 0.00 0.00 175.35 176.97 2ike n PRO 80 N 3.00 1.67 -0.36 4.03 -0.02 -1.26 -1.33 135.00 140.73 2ike n PRO 80 Ca -0.16 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2ike n PRO 80 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2ike n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ike n GLY 81 N 3.53 4.15 3.12 -1.23 0.00 0.28 -4.85 105.19 110.20 2ike n GLY 81 Ca 0.21 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 2ike n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ike s LYS 82 N 0.34 0.70 -0.18 1.61 1.02 0.93 -2.52 119.74 121.64 2ike s LYS 82 Ca 0.00 -0.94 -0.04 0.00 0.02 0.00 0.00 55.97 55.01 2ike s LYS 82 Cb 0.00 -0.47 -0.02 0.00 -0.52 0.00 0.00 37.83 36.82 2ike s LYS 82 CO 0.00 0.08 -0.03 0.00 -0.92 0.00 0.00 175.35 174.48 2ike s VAL 84 N 0.83 0.19 1.09 0.00 -7.23 -0.59 -3.50 120.40 111.19 2ike s VAL 84 Ca -0.01 -1.54 -0.15 0.00 -1.81 0.00 0.00 61.98 58.47 2ike s VAL 84 Cb -0.14 -1.15 0.21 0.00 0.56 0.00 0.00 36.38 35.86 2ike s VAL 84 CO 0.02 -0.85 0.43 -3.20 -0.31 0.00 0.00 175.10 171.19 2ike n ASN 85 N 0.55 -3.19 -0.30 4.85 4.05 -1.26 -2.26 115.26 117.69 2ike n ASN 85 Ca -0.17 -0.47 0.11 0.00 0.45 0.00 0.00 54.58 54.50 2ike n ASN 85 Cb 0.59 -0.82 0.50 0.00 1.23 0.00 0.00 39.78 41.28 2ike n ASN 85 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2ike n ILE 86 N -4.66 0.10 -1.48 -1.44 -6.64 -1.26 -3.50 119.36 100.47 2ike n ILE 86 Ca 0.07 -0.19 0.07 0.00 -1.77 0.00 0.00 62.75 60.93 2ike n ILE 86 Cb 0.40 0.08 0.11 0.00 -1.44 0.00 0.00 39.64 38.79 2ike n ILE 86 CO 0.00 0.00 0.00 2.29 -1.77 0.00 0.00 176.55 177.07 2ike n LYS 87 N -0.19 0.94 0.00 6.28 2.85 -1.26 -4.70 118.16 122.07 2ike n LYS 87 Ca 0.16 -2.29 0.00 0.00 -1.05 0.00 0.00 58.31 55.13 2ike n LYS 87 Cb 0.22 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 2ike n LYS 87 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2ike n LYS 88 N -0.91 0.82 -2.36 -1.58 4.81 -1.23 -5.02 118.16 112.69 2ike n LYS 88 Ca 0.12 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.14 2ike n LYS 88 Cb 0.70 -0.94 -0.03 0.00 0.02 0.00 0.00 35.03 34.78 2ike n LYS 88 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ike h THR 90 N 4.87 1.11 -0.82 0.00 1.03 -1.97 -1.96 112.91 115.18 2ike h THR 90 Ca -0.37 -0.25 -0.01 0.00 -0.01 0.00 0.00 66.41 65.77 2ike h THR 90 Cb 1.18 0.58 -0.04 0.00 -1.07 0.00 0.00 68.15 68.79 2ike h THR 90 CO 0.88 0.11 0.46 0.45 -0.01 0.00 0.00 175.52 177.41 2ike h HIS 91 N 0.52 1.11 -0.47 0.00 3.86 -2.00 -1.42 115.15 116.75 2ike h HIS 91 Ca 0.14 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.20 2ike h HIS 91 Cb -0.02 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.08 2ike h HIS 91 CO 0.00 0.76 -0.22 -0.07 0.86 0.00 0.00 177.93 179.27 2ike h LEU 92 N 1.14 1.00 -1.29 2.43 4.07 -1.71 -2.71 115.31 118.24 2ike h LEU 92 Ca 0.29 -0.40 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 2ike h LEU 92 Cb 0.01 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 2ike h LEU 92 CO -0.05 1.18 -0.16 0.00 -1.08 0.00 0.00 178.44 178.33 2ike h ALA 93 N 0.86 1.42 -0.32 1.53 0.00 -1.13 -1.98 119.26 119.63 2ike h ALA 93 Ca 0.11 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2ike h ALA 93 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2ike h ALA 93 CO 0.07 0.41 -0.39 0.93 0.00 0.00 0.00 179.25 180.26 2ike h GLU 94 N 0.26 0.77 -0.25 0.00 5.08 -1.08 -2.03 114.58 117.33 2ike h GLU 94 Ca 0.05 -0.40 -0.16 0.00 -1.00 0.00 0.00 59.36 57.86 2ike h GLU 94 Cb 0.45 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2ike h GLU 94 CO 0.03 1.02 -0.48 0.82 -1.00 0.00 0.00 179.01 179.40 2ike h ILE 95 N 0.64 1.30 -0.03 3.13 2.04 -1.17 -2.39 117.51 121.02 2ike h ILE 95 Ca 0.05 -1.69 -0.11 0.00 1.00 0.00 0.00 64.86 64.12 2ike h ILE 95 Cb 0.94 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2ike h ILE 95 CO 0.09 0.54 -0.50 -0.33 0.00 0.00 0.00 178.15 177.94 2ike h GLU 96 N 0.52 0.09 -0.01 2.37 5.08 -1.30 -2.98 114.58 118.35 2ike h GLU 96 Ca 0.03 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 2ike h GLU 96 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2ike h GLU 96 CO 0.10 0.57 -0.80 1.49 -1.00 0.00 0.00 179.01 179.36 2ike h GLU 97 N 0.07 0.16 -4.45 2.33 4.22 -1.24 -3.41 114.58 112.26 2ike h GLU 97 Ca 0.00 -0.16 -0.64 0.00 0.08 0.00 0.00 59.36 58.65 2ike h GLU 97 Cb 0.91 0.04 -0.39 0.00 0.50 0.00 0.00 28.75 29.81 2ike h GLU 97 CO 0.07 0.88 -0.76 -0.51 -2.18 0.00 0.00 179.01 176.51 2ike s ASP 98 N -6.89 4.32 -0.89 1.04 1.11 -0.91 -5.03 116.67 109.42 2ike s ASP 98 Ca -0.03 -1.64 -0.09 0.00 0.18 0.00 0.00 52.55 50.97 2ike s ASP 98 Cb 0.11 -1.36 -0.07 0.00 1.07 0.00 0.00 42.92 42.66 2ike s ASP 98 CO 0.81 -0.31 2.07 -0.81 1.18 0.00 0.00 175.17 178.11 2ike n PRO 99 N 4.50 1.97 -4.07 8.23 -0.04 -1.25 -4.66 135.00 139.67 2ike n PRO 99 Ca -0.05 -1.55 -0.12 0.00 -0.04 0.00 0.00 63.50 61.74 2ike n PRO 99 Cb 0.43 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 2ike n PRO 99 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2ike s ILE 100 N 3.74 0.00 -0.01 0.52 -5.25 -1.26 -5.06 121.20 113.89 2ike s ILE 100 Ca 0.43 -1.59 -0.00 0.00 -0.99 0.00 0.00 60.65 58.49 2ike s ILE 100 Cb 0.11 -2.45 0.00 0.00 2.95 0.00 0.00 42.46 43.07 2ike s ILE 100 CO -0.00 0.00 0.01 0.61 -1.79 0.00 0.00 174.94 173.77 2ike n GLY 101 N -0.45 -0.93 0.25 6.27 0.00 -1.26 -4.82 105.19 104.26 2ike n GLY 101 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.96 2ike n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ike h GLU 102 N 0.03 0.20 0.00 1.61 5.08 -2.00 -1.75 114.58 117.76 2ike h GLU 102 Ca 0.00 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2ike h GLU 102 Cb 0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2ike h GLU 102 CO 0.00 0.28 -0.48 0.22 -1.00 0.00 0.00 179.01 178.03 2ike h ASP 103 N 0.20 0.00 -0.15 1.42 1.82 -1.99 -2.42 116.42 115.30 2ike h ASP 103 Ca 0.05 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.47 2ike h ASP 103 Cb 0.24 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.26 2ike h ASP 103 CO 0.01 0.48 -0.75 -0.08 -1.61 0.00 0.00 179.24 177.29 2ike h GLU 104 N 0.00 0.77 0.00 0.28 4.57 -1.65 -1.91 114.58 116.63 2ike h GLU 104 Ca -0.00 -0.63 -0.13 0.00 -1.18 0.00 0.00 59.36 57.42 2ike h GLU 104 Cb 0.98 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 2ike h GLU 104 CO 0.06 1.24 -0.61 0.00 -1.18 0.00 0.00 179.01 178.53 2ike h THR 105 N 0.49 1.43 0.00 0.32 1.03 -1.44 -2.47 112.91 112.28 2ike h THR 105 Ca -0.05 -2.08 -0.23 0.00 -0.01 0.00 0.00 66.41 64.04 2ike h THR 105 Cb 1.39 2.12 0.00 0.00 -1.07 0.00 0.00 68.15 70.59 2ike h THR 105 CO 0.16 0.59 -0.95 0.74 -0.01 0.00 0.00 175.52 176.05 2ike h THR 106 N 0.00 1.41 -0.15 0.00 2.02 -1.42 -3.03 112.91 111.73 2ike h THR 106 Ca -0.01 -2.47 -0.13 0.00 0.77 0.00 0.00 66.41 64.58 2ike h THR 106 Cb 1.07 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 2ike h THR 106 CO 0.08 0.74 -0.46 0.22 0.37 0.00 0.00 175.52 176.46 2ike h TYR 107 N 0.22 0.44 -0.55 3.16 5.03 -1.27 -2.50 116.97 121.50 2ike h TYR 107 Ca -0.08 -0.13 -0.09 0.00 2.58 0.00 0.00 58.73 61.00 2ike h TYR 107 Cb 1.59 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.75 2ike h TYR 107 CO 0.06 0.76 -0.03 1.25 -1.32 0.00 0.00 178.16 178.88 2ike h LEU 108 N 0.29 0.95 -0.84 2.82 5.85 -1.45 -1.33 115.31 121.60 2ike h LEU 108 Ca 0.02 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.35 2ike h LEU 108 Cb 0.93 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2ike h LEU 108 CO 0.08 1.02 -0.55 0.50 -0.34 0.00 0.00 178.44 179.15 2ike h LYS 109 N 0.88 0.09 0.00 1.25 3.11 -1.41 -2.91 116.57 117.58 2ike h LYS 109 Ca 0.16 -0.06 -0.15 0.00 -2.81 0.00 0.00 60.65 57.79 2ike h LYS 109 Cb 0.56 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.77 2ike h LYS 109 CO 0.03 0.62 -0.71 -0.97 -2.81 0.00 0.00 179.45 175.61 2ike h ASN 110 N 0.07 0.00 -1.14 4.20 -0.73 -1.15 -3.20 115.58 113.64 2ike h ASN 110 Ca -0.00 0.00 -0.67 0.00 1.87 0.00 0.00 56.30 57.49 2ike h ASN 110 Cb 0.99 0.00 -0.31 0.00 0.27 0.00 0.00 38.32 39.27 2ike h ASN 110 CO 0.08 0.71 0.63 -0.24 -0.37 0.00 0.00 177.43 178.23 2ike n SER 111 N -3.58 7.23 -4.85 1.15 2.88 -0.53 -4.84 113.62 111.08 2ike n SER 111 Ca -0.00 -3.79 -0.35 0.00 -1.33 0.00 0.00 58.87 53.40 2ike n SER 111 Cb 0.72 -0.89 -0.06 0.00 -0.75 0.00 0.00 64.21 63.23 2ike n SER 111 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2ike s VAL 112 N -4.86 4.84 -0.85 2.46 -7.23 -1.18 -0.15 120.40 113.44 2ike s VAL 112 Ca 0.61 0.80 -0.10 0.00 -1.81 0.00 0.00 61.98 61.48 2ike s VAL 112 Cb 0.48 -3.72 -0.08 0.00 0.56 0.00 0.00 36.38 33.63 2ike s VAL 112 CO -0.07 0.17 2.02 0.00 -0.31 0.00 0.00 175.10 176.91 2ike n ALA 114 N 5.06 -0.66 0.00 0.00 0.00 -1.26 -4.43 120.51 119.21 2ike n ALA 114 Ca 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ike n ALA 114 Cb 0.19 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2ike n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ike n GLY 115 N 0.76 1.88 0.00 0.00 0.00 -1.26 -5.07 105.19 101.51 2ike n GLY 115 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2ike n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ike n PRO 116 N 0.00 -0.88 -3.80 1.61 -0.04 -1.26 -5.05 135.00 125.58 2ike n PRO 116 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2ike n PRO 116 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 2ike n PRO 116 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2ike s GLU 117 N -2.71 0.96 0.00 0.54 2.02 -1.26 -4.87 118.70 113.38 2ike s GLU 117 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.08 2ike s GLU 117 Cb 0.00 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.99 2ike s GLU 117 CO 0.00 -0.79 0.01 -0.40 0.02 0.00 0.00 175.26 174.10 2ike n ASP 118 N 4.83 -0.01 -3.09 -0.19 5.75 -1.26 -5.08 116.55 117.51 2ike n ASP 118 Ca -0.06 -0.01 -0.00 0.00 -0.01 0.00 0.00 54.79 54.70 2ike n ASP 118 Cb 0.44 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2ike n ASP 118 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2ike n ASN 119 N 0.00 -6.80 -4.18 -1.12 4.13 -1.26 -5.02 115.26 101.01 2ike n ASN 119 Ca -0.00 0.63 -0.11 0.00 1.68 0.00 0.00 54.58 56.78 2ike n ASN 119 Cb 0.17 -2.29 -0.10 0.00 -1.54 0.00 0.00 39.78 36.01 2ike n ASN 119 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2ike s SER 120 N -1.05 1.14 0.17 6.41 0.01 -1.26 -4.51 113.70 114.62 2ike s SER 120 Ca -0.00 -1.04 0.04 0.00 1.31 0.00 0.00 55.95 56.26 2ike s SER 120 Cb 0.00 0.10 -0.05 0.00 0.21 0.00 0.00 66.02 66.29 2ike s SER 120 CO 0.15 -0.49 -0.07 -0.69 0.41 0.00 0.00 173.24 172.55 2ike s VAL 121 N -3.64 1.11 -0.19 3.43 1.01 -0.96 -2.09 120.40 119.08 2ike s VAL 121 Ca 0.14 -2.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.04 2ike s VAL 121 Cb 0.05 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2ike s VAL 121 CO -0.03 -0.63 -0.06 0.00 0.00 0.00 0.00 175.10 174.38