#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 6.13 0.20 -1.43 1.04 -1.26 0.14 113.70 118.52 2ike s SER 72 Ca 0.00 0.13 0.09 0.00 0.48 0.00 0.00 55.95 56.65 2ike s SER 72 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 2ike s SER 72 CO 0.00 -0.05 -0.17 0.00 0.98 0.00 0.00 173.24 174.00 2ike s LEU 74 N -3.07 3.19 0.99 0.00 1.02 -1.26 -0.37 118.68 119.18 2ike s LEU 74 Ca 0.21 -0.25 -0.14 0.00 0.02 0.00 0.00 54.13 53.96 2ike s LEU 74 Cb -0.03 -1.82 0.18 0.00 0.02 0.00 0.00 46.19 44.54 2ike s LEU 74 CO 0.08 0.03 1.16 0.42 0.02 0.00 0.00 176.35 178.05 2ike s THR 75 N 1.21 1.92 0.52 5.49 -4.23 -1.24 -4.78 115.64 114.52 2ike s THR 75 Ca 0.03 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.81 2ike s THR 75 Cb -0.15 -2.71 0.43 0.00 1.34 0.00 0.00 72.50 71.42 2ike s THR 75 CO 0.01 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.37 2ike h PRO 76 N -1.79 0.06 0.00 3.99 0.11 -1.95 0.93 132.00 133.36 2ike h PRO 76 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ike h PRO 76 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2ike h PRO 76 CO 0.52 0.04 0.00 -3.47 -0.21 0.00 0.00 178.00 174.88 2ike n ASP 77 N -4.35 0.00 -1.84 -2.05 2.03 -1.26 -4.91 116.55 104.17 2ike n ASP 77 Ca 0.15 0.15 -0.11 0.00 0.52 0.00 0.00 54.79 55.50 2ike n ASP 77 Cb 0.77 -0.38 0.03 0.00 -0.72 0.00 0.00 41.12 40.82 2ike n ASP 77 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2ike n ASN 78 N -1.38 -3.95 -4.35 1.67 4.13 0.32 -5.01 115.26 106.69 2ike n ASN 78 Ca 0.11 -0.22 -0.41 0.00 1.68 0.00 0.00 54.58 55.74 2ike n ASN 78 Cb 0.28 -2.59 -0.11 0.00 -1.54 0.00 0.00 39.78 35.83 2ike n ASN 78 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2ike s LYS 79 N -5.48 2.77 -0.20 3.52 -2.85 -1.26 -4.85 119.74 111.39 2ike s LYS 79 Ca 0.24 -1.20 -0.42 0.00 -1.00 0.00 0.00 55.97 53.60 2ike s LYS 79 Cb -0.11 -3.77 -0.18 0.00 -2.06 0.00 0.00 37.83 31.71 2ike s LYS 79 CO 0.30 -0.79 1.45 -2.30 0.10 0.00 0.00 175.35 174.11 2ike n PRO 80 N 4.99 0.50 0.00 1.78 -0.02 -1.26 -3.73 135.00 137.26 2ike n PRO 80 Ca -0.11 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2ike n PRO 80 Cb 0.45 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 3.11 5.27 3.09 -1.23 0.00 0.50 -4.94 105.19 110.99 2ike n GLY 81 Ca 0.25 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 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 3.14 0.63 -0.15 1.61 1.02 0.19 -2.55 119.74 123.63 2ike s LYS 82 Ca 0.00 -0.77 -0.03 0.00 0.02 0.00 0.00 55.97 55.19 2ike s LYS 82 Cb 0.00 -0.49 -0.03 0.00 -0.52 0.00 0.00 37.83 36.79 2ike s LYS 82 CO 0.00 0.10 -0.05 0.00 -0.92 0.00 0.00 175.35 174.48 2ike s VAL 84 N 0.34 0.17 0.67 0.00 -7.23 -0.48 -3.47 120.40 110.41 2ike s VAL 84 Ca -0.05 -1.44 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 2ike s VAL 84 Cb -0.14 -1.14 0.16 0.00 0.56 0.00 0.00 36.38 35.81 2ike s VAL 84 CO 0.03 -0.79 0.36 0.59 -0.31 0.00 0.00 175.10 174.98 2ike n ASN 85 N 0.51 -2.68 -0.79 4.85 3.02 -1.26 -1.54 115.26 117.36 2ike n ASN 85 Ca -0.17 -0.36 0.06 0.00 -0.03 0.00 0.00 54.58 54.08 2ike n ASN 85 Cb 0.59 -0.48 0.18 0.00 -0.61 0.00 0.00 39.78 39.47 2ike n ASN 85 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2ike n ILE 86 N -4.06 0.62 -2.16 2.41 -6.64 -1.25 -3.80 119.36 104.49 2ike n ILE 86 Ca 0.06 -0.56 0.04 0.00 -1.77 0.00 0.00 62.75 60.51 2ike n ILE 86 Cb 0.25 0.22 0.05 0.00 -1.44 0.00 0.00 39.64 38.72 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 0.67 0.33 0.00 6.28 2.85 -1.26 -4.83 118.16 122.20 2ike n LYS 87 Ca 0.14 -2.02 0.00 0.00 -1.05 0.00 0.00 58.31 55.37 2ike n LYS 87 Cb 0.38 -0.46 0.00 0.00 -0.65 0.00 0.00 35.03 34.30 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 0.02 0.00 -2.07 -1.58 4.81 -1.25 -5.01 118.16 113.07 2ike n LYS 88 Ca 0.07 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.09 2ike n LYS 88 Cb 0.95 -0.66 -0.03 0.00 0.02 0.00 0.00 35.03 35.31 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 6.10 0.86 -0.51 0.00 1.35 -1.97 -0.61 112.91 118.13 2ike h THR 90 Ca -0.35 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 2ike h THR 90 Cb 1.16 0.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 2ike h THR 90 CO 0.99 0.01 0.27 -0.74 -0.25 0.00 0.00 175.52 175.80 2ike h HIS 91 N 0.07 0.68 -0.26 4.73 6.17 -2.00 -1.16 115.15 123.38 2ike h HIS 91 Ca 0.17 -0.01 -0.13 0.00 0.71 0.00 0.00 60.37 61.11 2ike h HIS 91 Cb 0.57 -0.22 -0.00 0.00 2.52 0.00 0.00 27.41 30.28 2ike h HIS 91 CO -0.00 0.49 -0.36 1.25 0.71 0.00 0.00 177.93 180.02 2ike h LEU 92 N 0.71 0.77 -1.42 0.26 6.46 -1.49 -2.76 115.31 117.84 2ike h LEU 92 Ca 0.18 -0.50 -0.06 0.00 -0.12 0.00 0.00 57.88 57.38 2ike h LEU 92 Cb 0.03 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 2ike h LEU 92 CO -0.03 1.12 -0.23 0.00 -0.62 0.00 0.00 178.44 178.68 2ike h ALA 93 N 0.67 1.52 -0.34 1.25 0.00 -1.31 -2.24 119.26 118.82 2ike h ALA 93 Ca 0.03 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2ike h ALA 93 Cb 0.94 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ike h ALA 93 CO 0.08 0.35 -0.42 1.49 0.00 0.00 0.00 179.25 180.76 2ike h GLU 94 N 0.09 0.88 -0.24 0.00 4.81 -1.12 -2.55 114.58 116.45 2ike h GLU 94 Ca 0.01 -0.49 -0.11 0.00 -0.13 0.00 0.00 59.36 58.64 2ike h GLU 94 Cb 0.46 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2ike h GLU 94 CO 0.03 1.14 -0.31 0.82 -0.73 0.00 0.00 179.01 179.96 2ike h ILE 95 N 0.68 1.28 -0.21 2.32 2.04 -1.20 0.32 117.51 122.74 2ike h ILE 95 Ca 0.04 -1.38 -0.11 0.00 1.00 0.00 0.00 64.86 64.41 2ike h ILE 95 Cb 1.02 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2ike h ILE 95 CO 0.10 0.44 -0.34 -0.08 0.00 0.00 0.00 178.15 178.26 2ike h GLU 96 N 0.43 0.45 0.09 2.37 4.81 -1.34 -3.16 114.58 118.22 2ike h GLU 96 Ca 0.05 -0.20 -0.31 0.00 -0.13 0.00 0.00 59.36 58.78 2ike h GLU 96 Cb 0.75 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2ike h GLU 96 CO 0.06 0.74 -1.60 1.05 -0.73 0.00 0.00 179.01 178.53 2ike h GLU 97 N 0.38 0.19 -6.94 1.92 4.11 -1.24 -3.47 114.58 109.54 2ike h GLU 97 Ca 0.04 -0.33 -0.48 0.00 0.07 0.00 0.00 59.36 58.67 2ike h GLU 97 Cb 0.78 0.12 0.04 0.00 0.50 0.00 0.00 28.75 30.20 2ike h GLU 97 CO 0.06 1.01 0.08 -0.51 0.07 0.00 0.00 179.01 179.71 2ike s ASP 98 N -6.81 5.88 -0.03 3.06 1.01 0.11 -4.99 116.67 114.91 2ike s ASP 98 Ca -0.09 0.67 -0.37 0.00 0.71 0.00 0.00 52.55 53.47 2ike s ASP 98 Cb 0.07 -1.85 -0.15 0.00 1.01 0.00 0.00 42.92 42.00 2ike s ASP 98 CO 0.83 -0.80 1.58 -2.65 0.21 0.00 0.00 175.17 174.35 2ike n PRO 99 N -2.33 1.49 -4.18 8.23 -0.02 -1.26 -4.76 135.00 132.18 2ike n PRO 99 Ca 0.02 0.54 -0.25 0.00 -2.02 0.00 0.00 63.50 61.80 2ike n PRO 99 Cb 0.57 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 2ike n PRO 99 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2ike s ILE 100 N 1.95 4.01 0.23 4.25 2.07 -1.26 -5.01 121.20 127.44 2ike s ILE 100 Ca 0.89 -1.44 0.00 0.00 -1.41 0.00 0.00 60.65 58.69 2ike s ILE 100 Cb -0.90 -3.09 -0.00 0.00 0.13 0.00 0.00 42.46 38.61 2ike s ILE 100 CO 0.51 -0.22 0.29 0.61 -1.91 0.00 0.00 174.94 174.22 2ike n GLY 101 N -0.58 2.65 0.23 1.50 0.00 -1.26 -5.02 105.19 102.71 2ike n GLY 101 Ca -0.08 -1.61 -0.00 0.00 0.00 0.00 0.00 46.02 44.33 2ike n GLY 101 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ike h GLU 102 N 0.00 0.32 -0.07 1.61 4.11 -2.00 -2.50 114.58 116.06 2ike h GLU 102 Ca -0.18 -0.10 -0.12 0.00 0.07 0.00 0.00 59.36 59.03 2ike h GLU 102 Cb 0.80 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2ike h GLU 102 CO 0.24 0.52 -0.52 0.22 0.07 0.00 0.00 179.01 179.54 2ike h ASP 103 N 0.30 0.20 0.26 3.06 3.58 -2.00 -2.76 116.42 119.06 2ike h ASP 103 Ca 0.05 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.26 2ike h ASP 103 Cb 0.54 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2ike h ASP 103 CO 0.04 0.69 -0.56 -0.08 -2.88 0.00 0.00 179.24 176.45 2ike h GLU 104 N 0.15 0.32 -0.21 0.28 4.57 -1.86 -2.34 114.58 115.49 2ike h GLU 104 Ca 0.00 -0.20 -0.15 0.00 -1.18 0.00 0.00 59.36 57.84 2ike h GLU 104 Cb 0.97 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 2ike h GLU 104 CO 0.08 0.79 -0.48 1.15 -1.18 0.00 0.00 179.01 179.36 2ike h THR 105 N 0.24 1.31 -0.09 0.32 2.02 -1.33 -2.46 112.91 112.92 2ike h THR 105 Ca 0.00 -1.70 -0.16 0.00 0.77 0.00 0.00 66.41 65.33 2ike h THR 105 Cb 1.05 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 2ike h THR 105 CO 0.09 0.53 -0.62 0.74 0.37 0.00 0.00 175.52 176.63 2ike h THR 106 N 0.44 1.37 -0.16 3.16 2.02 -1.40 -2.80 112.91 115.54 2ike h THR 106 Ca 0.02 -1.98 -0.13 0.00 0.77 0.00 0.00 66.41 65.10 2ike h THR 106 Cb 1.01 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 2ike h THR 106 CO 0.09 0.59 -0.44 1.88 0.37 0.00 0.00 175.52 178.01 2ike h TYR 107 N 0.24 0.45 -0.35 3.16 0.05 -1.31 -1.45 116.97 117.76 2ike h TYR 107 Ca -0.01 -0.14 -0.10 0.00 0.05 0.00 0.00 58.73 58.53 2ike h TYR 107 Cb 1.14 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 2ike h TYR 107 CO 0.03 0.76 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.64 2ike h LEU 108 N 0.31 0.77 -0.84 3.88 3.38 -1.35 -1.45 115.31 120.02 2ike h LEU 108 Ca 0.02 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 2ike h LEU 108 Cb 0.91 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2ike h LEU 108 CO 0.08 1.02 -0.55 0.11 0.09 0.00 0.00 178.44 179.19 2ike h LYS 109 N 0.53 0.10 -0.03 1.13 1.57 -1.42 -2.96 116.57 115.49 2ike h LYS 109 Ca 0.08 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2ike h LYS 109 Cb 0.73 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2ike h LYS 109 CO 0.05 0.62 -0.70 -0.97 -0.57 0.00 0.00 179.45 177.89 2ike h ASN 110 N 0.08 0.16 -0.88 0.86 -0.73 -1.14 -3.14 115.58 110.79 2ike h ASN 110 Ca -0.00 -0.11 -0.57 0.00 1.87 0.00 0.00 56.30 57.49 2ike h ASN 110 Cb 0.99 -0.05 -0.26 0.00 0.27 0.00 0.00 38.32 39.27 2ike h ASN 110 CO 0.08 0.81 0.74 -1.20 -0.37 0.00 0.00 177.43 177.48 2ike n SER 111 N -3.77 6.79 -4.66 1.15 7.64 -0.56 -4.29 113.62 115.92 2ike n SER 111 Ca -0.02 -3.59 -0.25 0.00 1.01 0.00 0.00 58.87 56.02 2ike n SER 111 Cb 0.68 -0.96 0.11 0.00 -1.01 0.00 0.00 64.21 63.02 2ike n SER 111 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ike s VAL 112 N -4.02 2.20 -0.36 0.44 -7.23 -1.19 0.11 120.40 110.35 2ike s VAL 112 Ca 0.56 -0.45 0.05 0.00 -1.81 0.00 0.00 61.98 60.32 2ike s VAL 112 Cb 0.44 -2.75 0.54 0.00 0.56 0.00 0.00 36.38 35.18 2ike s VAL 112 CO 0.01 0.00 1.66 0.00 -0.31 0.00 0.00 175.10 176.46 2ike n ALA 114 N -0.52 -2.87 -1.20 0.00 0.00 -1.26 -5.01 120.51 109.65 2ike n ALA 114 Ca 0.41 0.27 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2ike n ALA 114 Cb 1.32 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.68 -4.28 3.83 0.00 0.00 -1.26 -4.96 105.19 95.85 2ike n GLY 115 Ca 0.01 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 2ike n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ike s PRO 116 N -3.99 3.07 -0.02 1.61 0.04 -1.26 -4.69 135.00 129.75 2ike s PRO 116 Ca 0.00 0.92 -0.01 0.00 0.04 0.00 0.00 61.00 61.94 2ike s PRO 116 Cb 0.00 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2ike s PRO 116 CO 0.00 -1.00 0.03 -0.85 0.04 0.00 0.00 177.00 175.22 2ike n GLU 117 N -3.05 -1.64 0.00 4.56 0.28 -1.26 -4.96 120.64 114.57 2ike n GLU 117 Ca 0.07 1.32 0.00 0.00 -0.16 0.00 0.00 57.16 58.39 2ike n GLU 117 Cb 0.54 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.77 2ike n GLU 117 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2ike n ASP 118 N 2.17 0.00 -2.16 -1.84 5.75 -1.26 -5.02 116.55 114.18 2ike n ASP 118 Ca -0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.55 2ike n ASP 118 Cb 0.08 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.17 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 -0.84 -5.15 -4.84 -1.12 4.13 -1.26 -5.00 115.26 101.18 2ike n ASN 119 Ca 0.00 -0.10 -0.23 0.00 1.68 0.00 0.00 54.58 55.93 2ike n ASN 119 Cb 0.00 -4.15 -0.04 0.00 -1.54 0.00 0.00 39.78 34.05 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 -2.42 4.75 0.07 6.41 0.01 -1.26 -3.77 113.70 117.48 2ike s SER 120 Ca 0.09 -0.98 -0.04 0.00 1.31 0.00 0.00 55.95 56.33 2ike s SER 120 Cb -0.04 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 2ike s SER 120 CO 0.11 -0.73 0.06 -0.69 0.41 0.00 0.00 173.24 172.40 2ike s VAL 121 N -2.59 0.19 -0.19 3.43 1.01 -0.59 -4.23 120.40 117.43 2ike s VAL 121 Ca 0.42 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 2ike s VAL 121 Cb -0.01 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 2ike s VAL 121 CO 0.24 -0.85 -0.06 0.00 0.00 0.00 0.00 175.10 174.44