#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 6.46 0.09 -1.43 1.04 -1.26 0.14 113.70 118.73 2ike s SER 72 Ca 0.00 0.54 0.08 0.00 0.48 0.00 0.00 55.95 57.05 2ike s SER 72 Cb 0.00 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.83 2ike s SER 72 CO 0.00 -0.17 -0.21 0.00 0.98 0.00 0.00 173.24 173.84 2ike s LEU 74 N -1.76 4.08 1.12 0.00 1.02 -1.26 -1.58 118.68 120.30 2ike s LEU 74 Ca 0.07 0.10 -0.12 0.00 0.02 0.00 0.00 54.13 54.20 2ike s LEU 74 Cb -0.10 -2.16 0.26 0.00 0.02 0.00 0.00 46.19 44.22 2ike s LEU 74 CO 0.04 -0.00 1.05 0.42 0.02 0.00 0.00 176.35 177.87 2ike s THR 75 N 1.40 2.04 0.61 5.49 -4.23 -1.04 -4.67 115.64 115.25 2ike s THR 75 Ca 0.08 0.01 0.28 0.00 -1.18 0.00 0.00 61.69 60.89 2ike s THR 75 Cb -0.15 -2.11 0.36 0.00 1.34 0.00 0.00 72.50 71.94 2ike s THR 75 CO 0.07 -0.02 1.81 -0.65 -0.54 0.00 0.00 174.62 175.30 2ike h PRO 76 N -2.49 0.00 -0.37 3.99 0.11 -1.93 1.06 132.00 132.38 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 0.50 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.04 2ike n ASP 77 N -3.48 2.79 -1.66 -2.05 9.92 -1.26 -4.93 116.55 115.88 2ike n ASP 77 Ca 0.08 -1.91 -0.11 0.00 -0.53 0.00 0.00 54.79 52.31 2ike n ASP 77 Cb 0.72 -0.24 0.02 0.00 -0.64 0.00 0.00 41.12 40.98 2ike n ASP 77 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2ike n ASN 78 N 1.04 -3.86 -4.59 -2.24 5.15 0.37 -5.01 115.26 106.12 2ike n ASN 78 Ca 0.18 -0.15 -0.40 0.00 -0.60 0.00 0.00 54.58 53.61 2ike n ASN 78 Cb 0.49 -2.73 -0.09 0.00 -0.53 0.00 0.00 39.78 36.92 2ike n ASN 78 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2ike s LYS 79 N -5.15 3.91 -0.10 1.20 2.20 -1.25 -4.78 119.74 115.77 2ike s LYS 79 Ca 0.16 -0.04 -0.37 0.00 -0.36 0.00 0.00 55.97 55.36 2ike s LYS 79 Cb -0.07 -3.69 -0.15 0.00 -1.51 0.00 0.00 37.83 32.41 2ike s LYS 79 CO 0.20 -0.35 1.66 -2.30 -0.36 0.00 0.00 175.35 174.20 2ike n PRO 80 N 5.38 1.49 0.00 4.03 -0.02 -1.26 -2.48 135.00 142.14 2ike n PRO 80 Ca -0.08 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2ike n PRO 80 Cb 0.50 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 3.76 4.58 3.12 -1.23 0.00 -0.62 -4.86 105.19 109.94 2ike n GLY 81 Ca 0.23 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 1.76 0.70 -0.18 1.61 1.02 0.16 -2.98 119.74 121.83 2ike s LYS 82 Ca 0.00 -0.95 -0.04 0.00 0.02 0.00 0.00 55.97 55.00 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 0.45 1.09 0.00 -7.23 -0.35 -3.50 120.40 111.69 2ike s VAL 84 Ca -0.01 -1.63 -0.16 0.00 -1.81 0.00 0.00 61.98 58.38 2ike s VAL 84 Cb -0.14 -1.28 0.20 0.00 0.56 0.00 0.00 36.38 35.71 2ike s VAL 84 CO 0.02 -0.78 0.38 -0.46 -0.31 0.00 0.00 175.10 173.94 2ike n ASN 85 N 0.46 -3.09 -0.32 4.85 6.94 -1.26 -1.76 115.26 121.07 2ike n ASN 85 Ca -0.16 -0.43 0.09 0.00 -0.02 0.00 0.00 54.58 54.06 2ike n ASN 85 Cb 0.59 -0.83 0.40 0.00 -2.36 0.00 0.00 39.78 37.58 2ike n ASN 85 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2ike n ILE 86 N -4.62 0.14 -1.70 1.53 -6.64 -1.24 -3.50 119.36 103.33 2ike n ILE 86 Ca 0.06 -0.21 0.05 0.00 -1.77 0.00 0.00 62.75 60.89 2ike n ILE 86 Cb 0.42 0.09 0.10 0.00 -1.44 0.00 0.00 39.64 38.81 2ike n ILE 86 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 2ike n LYS 87 N -0.12 0.79 0.00 6.28 4.81 -1.26 -4.77 118.16 123.88 2ike n LYS 87 Ca 0.14 -2.24 0.00 0.00 -0.87 0.00 0.00 58.31 55.34 2ike n LYS 87 Cb 0.21 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.26 2ike n LYS 87 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2ike n LYS 88 N -0.64 0.00 -2.08 1.64 4.81 -1.23 -5.04 118.16 115.63 2ike n LYS 88 Ca 0.11 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.13 2ike n LYS 88 Cb 0.76 -0.83 -0.03 0.00 0.02 0.00 0.00 35.03 34.95 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 4.40 1.14 -0.14 0.00 2.02 -1.96 -2.72 112.91 115.65 2ike h THR 90 Ca -0.42 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.29 2ike h THR 90 Cb 1.20 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2ike h THR 90 CO 0.89 0.18 0.07 0.45 0.37 0.00 0.00 175.52 177.48 2ike h HIS 91 N 0.47 0.12 -1.00 3.16 3.86 -2.00 -1.23 115.15 118.54 2ike h HIS 91 Ca 0.12 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2ike h HIS 91 Cb 0.14 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 2ike h HIS 91 CO 0.00 0.07 0.66 1.25 0.86 0.00 0.00 177.93 180.78 2ike h LEU 92 N 0.15 1.13 -1.30 2.43 7.12 -1.85 -1.52 115.31 121.46 2ike h LEU 92 Ca 0.06 -0.02 -0.06 0.00 0.13 0.00 0.00 57.88 57.99 2ike h LEU 92 Cb 0.01 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 39.86 2ike h LEU 92 CO -0.04 0.80 -0.17 0.00 -0.13 0.00 0.00 178.44 178.90 2ike h ALA 93 N 1.39 1.43 -0.30 1.25 0.00 -1.20 -2.45 119.26 119.38 2ike h ALA 93 Ca 0.38 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2ike h ALA 93 Cb -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2ike h ALA 93 CO -0.09 0.40 -0.40 0.93 0.00 0.00 0.00 179.25 180.09 2ike h GLU 94 N 0.25 0.73 -0.46 0.00 5.08 -0.23 -1.50 114.58 118.45 2ike h GLU 94 Ca 0.05 -0.38 -0.09 0.00 -1.00 0.00 0.00 59.36 57.94 2ike h GLU 94 Cb 0.45 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2ike h GLU 94 CO 0.03 1.00 -0.06 0.82 -1.00 0.00 0.00 179.01 179.80 2ike h ILE 95 N 0.60 1.27 -0.20 3.13 1.08 -1.07 -1.91 117.51 120.40 2ike h ILE 95 Ca 0.05 -1.15 -0.14 0.00 -0.39 0.00 0.00 64.86 63.23 2ike h ILE 95 Cb 0.94 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.77 2ike h ILE 95 CO 0.09 0.40 -0.46 1.05 -0.69 0.00 0.00 178.15 178.53 2ike h GLU 96 N 0.69 0.51 -0.09 2.37 4.11 -1.41 0.22 114.58 120.99 2ike h GLU 96 Ca 0.12 -0.28 -0.10 0.00 0.07 0.00 0.00 59.36 59.17 2ike h GLU 96 Cb 0.59 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2ike h GLU 96 CO 0.04 0.87 -0.39 1.49 0.07 0.00 0.00 179.01 181.08 2ike h GLU 97 N 0.41 0.18 -1.34 1.06 4.57 -1.15 -3.36 114.58 114.95 2ike h GLU 97 Ca 0.03 -0.08 -0.44 0.00 -1.18 0.00 0.00 59.36 57.69 2ike h GLU 97 Cb 0.97 -0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.25 2ike h GLU 97 CO 0.09 0.55 -0.89 -0.25 -1.18 0.00 0.00 179.01 177.33 2ike n ASP 98 N -4.05 -0.96 -4.52 1.04 8.00 -0.73 -5.07 116.55 110.26 2ike n ASP 98 Ca -0.01 -2.88 -0.14 0.00 0.71 0.00 0.00 54.79 52.46 2ike n ASP 98 Cb 0.45 0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.69 2ike n ASP 98 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2ike n PRO 99 N 1.59 0.33 -4.02 -0.24 -0.02 0.75 -4.73 135.00 128.66 2ike n PRO 99 Ca 0.17 -0.82 -0.14 0.00 -2.02 0.00 0.00 63.50 60.69 2ike n PRO 99 Cb 0.56 -3.11 -0.14 0.00 -0.02 0.00 0.00 33.50 30.79 2ike n PRO 99 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ike s ILE 100 N 11.87 0.22 0.00 4.25 1.01 -1.26 -5.03 121.20 132.26 2ike s ILE 100 Ca 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2ike s ILE 100 Cb -0.23 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2ike s ILE 100 CO 0.18 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2ike n GLY 101 N 3.09 -1.91 0.21 6.18 0.00 -1.26 -4.75 105.19 106.75 2ike n GLY 101 Ca -0.13 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.12 -0.19 1.61 4.39 -1.99 -2.28 114.58 116.25 2ike h GLU 102 Ca 0.00 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 2ike h GLU 102 Cb 0.00 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2ike h GLU 102 CO 0.00 0.40 -0.43 -0.44 -1.16 0.00 0.00 179.01 177.38 2ike h ASP 103 N 0.11 0.47 0.30 1.42 3.32 -1.99 -1.82 116.42 118.23 2ike h ASP 103 Ca 0.02 -0.21 -0.18 0.00 0.02 0.00 0.00 57.03 56.67 2ike h ASP 103 Cb 0.56 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2ike h ASP 103 CO 0.04 0.84 -0.73 -0.08 -1.72 0.00 0.00 179.24 177.59 2ike h GLU 104 N 0.36 0.36 -0.03 3.56 4.81 -1.77 -2.81 114.58 119.07 2ike h GLU 104 Ca 0.03 -0.30 -0.15 0.00 -0.13 0.00 0.00 59.36 58.81 2ike h GLU 104 Cb 0.90 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 2ike h GLU 104 CO 0.08 0.95 -0.65 1.15 -0.73 0.00 0.00 179.01 179.81 2ike h THR 105 N 0.25 1.43 -0.20 0.32 2.02 -1.29 -2.94 112.91 112.49 2ike h THR 105 Ca -0.03 -2.14 -0.15 0.00 0.77 0.00 0.00 66.41 64.86 2ike h THR 105 Cb 1.31 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 2ike h THR 105 CO 0.12 0.62 -0.49 0.74 0.37 0.00 0.00 175.52 176.88 2ike h THR 106 N 0.08 1.31 -0.57 3.16 2.02 -1.27 -2.55 112.91 115.09 2ike h THR 106 Ca -0.01 -1.71 -0.10 0.00 0.77 0.00 0.00 66.41 65.37 2ike h THR 106 Cb 1.16 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 2ike h THR 106 CO 0.09 0.53 -0.01 0.22 0.37 0.00 0.00 175.52 176.72 2ike h TYR 107 N 0.43 1.12 -0.55 3.16 3.20 -1.42 -0.41 116.97 122.50 2ike h TYR 107 Ca 0.02 -0.20 -0.06 0.00 3.14 0.00 0.00 58.73 61.63 2ike h TYR 107 Cb 1.01 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2ike h TYR 107 CO 0.04 1.00 0.12 1.25 -1.64 0.00 0.00 178.16 178.93 2ike h LEU 108 N 0.91 0.85 -1.01 2.82 7.12 -1.45 -2.35 115.31 122.19 2ike h LEU 108 Ca 0.16 -0.24 -0.10 0.00 0.13 0.00 0.00 57.88 57.82 2ike h LEU 108 Cb 0.57 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 2ike h LEU 108 CO 0.03 0.87 -0.44 0.11 -0.13 0.00 0.00 178.44 178.89 2ike h LYS 109 N 0.78 0.12 0.00 1.25 1.57 -1.31 -2.65 116.57 116.34 2ike h LYS 109 Ca 0.17 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2ike h LYS 109 Cb 0.37 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2ike h LYS 109 CO 0.01 0.54 -0.34 -0.91 -0.57 0.00 0.00 179.45 178.17 2ike h ASN 110 N 0.10 0.00 -0.75 0.86 2.35 -0.69 -2.73 115.58 114.72 2ike h ASN 110 Ca 0.01 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 2ike h ASN 110 Cb 0.82 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.97 2ike h ASN 110 CO 0.06 0.34 0.61 -1.20 -1.65 0.00 0.00 177.43 175.59 2ike n SER 111 N -4.00 6.03 -4.76 5.81 7.64 -0.92 -4.77 113.62 118.65 2ike n SER 111 Ca -0.02 -3.37 -0.40 0.00 1.01 0.00 0.00 58.87 56.09 2ike n SER 111 Cb 0.39 -0.94 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 2ike n SER 111 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2ike s VAL 112 N -3.26 4.26 -0.80 0.44 0.11 -1.03 0.73 120.40 120.84 2ike s VAL 112 Ca 0.47 1.92 -0.10 0.00 -2.93 0.00 0.00 61.98 61.33 2ike s VAL 112 Cb 0.37 -4.25 -0.08 0.00 -1.53 0.00 0.00 36.38 30.90 2ike s VAL 112 CO 0.02 0.48 1.98 0.00 -3.33 0.00 0.00 175.10 174.25 2ike n ALA 114 N 5.23 -1.98 0.00 0.00 0.00 -1.26 -4.74 120.51 117.76 2ike n ALA 114 Ca 0.43 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2ike n ALA 114 Cb 0.20 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 0.83 0.60 0.19 0.00 0.00 -1.26 -4.82 105.19 100.73 2ike n GLY 115 Ca 0.08 -1.71 0.04 0.00 0.00 0.00 0.00 46.02 44.43 2ike n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ike h PRO 116 N 0.00 0.00 -6.30 1.61 0.13 -2.06 -3.44 132.00 121.94 2ike h PRO 116 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 2ike h PRO 116 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2ike h PRO 116 CO 0.00 0.39 -0.33 -1.21 -0.23 0.00 0.00 178.00 176.62 2ike s GLU 117 N -3.85 3.47 0.40 0.86 2.02 -1.26 -5.12 118.70 115.21 2ike s GLU 117 Ca -0.01 -0.54 0.04 0.00 0.02 0.00 0.00 54.97 54.47 2ike s GLU 117 Cb 0.13 -2.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 2ike s GLU 117 CO 0.70 0.33 0.13 0.34 0.02 0.00 0.00 175.26 176.78 2ike s ASP 118 N -3.85 2.74 -1.58 -0.19 2.15 -1.26 -4.75 116.67 109.93 2ike s ASP 118 Ca 0.37 -1.66 -0.04 0.00 0.43 0.00 0.00 52.55 51.65 2ike s ASP 118 Cb -0.10 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 43.00 2ike s ASP 118 CO 0.31 -0.91 0.59 0.59 -0.17 0.00 0.00 175.17 175.58 2ike n ASN 119 N -1.27 -6.17 -4.37 -0.34 3.02 -1.26 -4.99 115.26 99.89 2ike n ASN 119 Ca -0.06 -0.28 -0.19 0.00 -0.03 0.00 0.00 54.58 54.03 2ike n ASN 119 Cb 0.65 -4.98 -0.10 0.00 -0.61 0.00 0.00 39.78 34.74 2ike n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ike s SER 120 N -2.68 2.64 0.08 6.41 1.04 -1.26 -3.66 113.70 116.27 2ike s SER 120 Ca 0.29 -1.06 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 2ike s SER 120 Cb -0.13 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 2ike s SER 120 CO 0.36 -0.20 0.11 -0.69 0.98 0.00 0.00 173.24 173.79 2ike s VAL 121 N -2.97 0.17 -0.19 5.02 1.01 -0.72 -2.76 120.40 119.96 2ike s VAL 121 Ca 0.24 -1.43 -0.03 0.00 0.00 0.00 0.00 61.98 60.76 2ike s VAL 121 Cb 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2ike s VAL 121 CO 0.08 -0.78 -0.06 0.00 0.00 0.00 0.00 175.10 174.35