#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2v s LYS 2 N 0.00 2.12 0.81 0.11 2.47 -1.26 -5.00 119.74 118.99 1i2v s LYS 2 Ca 0.00 -0.54 -0.11 0.00 -1.56 0.00 0.00 55.97 53.76 1i2v s LYS 2 Cb 0.00 -1.76 0.07 0.00 -1.46 0.00 0.00 37.83 34.68 1i2v s LYS 2 CO 0.00 -0.01 1.09 -1.17 0.16 0.00 0.00 175.35 175.42 1i2v s LEU 3 N 0.83 2.64 0.00 5.43 1.98 -1.26 0.29 118.68 128.58 1i2v s LEU 3 Ca -0.10 1.46 0.00 0.00 -2.89 0.00 0.00 54.13 52.60 1i2v s LEU 3 Cb -0.15 -4.07 0.00 0.00 0.66 0.00 0.00 46.19 42.62 1i2v s LEU 3 CO 0.01 -2.08 0.00 2.30 -1.89 0.00 0.00 176.35 174.70 1i2v n ILE 4 N -3.52 0.00 -3.33 6.68 -5.35 -1.21 -4.66 119.36 107.96 1i2v n ILE 4 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1i2v n ILE 4 Cb 0.55 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1i2v n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i2v n GLY 5 N 1.82 -0.52 3.98 3.28 0.00 -1.22 -5.02 105.19 107.50 1i2v n GLY 5 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1i2v n GLY 5 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i2v s SER 6 N -4.00 5.68 -0.32 1.61 0.01 -0.41 -1.47 113.70 114.80 1i2v s SER 6 Ca 0.00 -0.04 0.16 0.00 1.31 0.00 0.00 55.95 57.38 1i2v s SER 6 Cb 0.00 -1.12 0.46 0.00 0.21 0.00 0.00 66.02 65.58 1i2v s SER 6 CO 0.00 -0.77 1.02 0.00 0.41 0.00 0.00 173.24 173.91 1i2v s VAL 8 N -3.73 2.18 -1.28 0.00 1.01 -1.24 -4.04 120.40 113.30 1i2v s VAL 8 Ca 0.32 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1i2v s VAL 8 Cb 0.42 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1i2v s VAL 8 CO -0.01 0.55 2.14 0.79 0.00 0.00 0.00 175.10 178.57 1i2v n TRP 9 N 3.81 3.14 0.00 5.22 7.02 -1.26 -3.18 117.44 132.19 1i2v n TRP 9 Ca -0.19 -2.67 0.00 0.00 -1.02 0.00 0.00 57.50 53.61 1i2v n TRP 9 Cb 0.52 -2.35 0.00 0.00 -2.42 0.00 0.00 31.31 27.06 1i2v n TRP 9 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1i2v n GLY 10 N 4.25 -0.21 3.67 6.99 0.00 -1.26 -5.18 105.19 113.45 1i2v n GLY 10 Ca 0.51 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 1i2v n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2v s ALA 11 N 0.00 -0.35 0.83 4.61 0.00 -1.19 -5.15 121.76 120.51 1i2v s ALA 11 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 1i2v s ALA 11 Cb 0.00 0.95 0.10 0.00 0.00 0.00 0.00 23.12 24.17 1i2v s ALA 11 CO 0.00 -0.91 1.19 0.08 0.00 0.00 0.00 175.76 176.12 1i2v s VAL 12 N -3.39 2.04 -0.33 0.00 1.01 -1.26 -3.72 120.40 114.74 1i2v s VAL 12 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1i2v s VAL 12 Cb -0.03 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1i2v s VAL 12 CO 0.11 0.00 0.00 0.59 0.00 0.00 0.00 175.10 175.80 1i2v n ASN 13 N -3.35 -1.78 -4.62 3.32 3.02 -1.26 -4.52 115.26 106.05 1i2v n ASN 13 Ca 0.10 0.37 -0.43 0.00 -0.03 0.00 0.00 54.58 54.58 1i2v n ASN 13 Cb 0.61 -1.66 -0.01 0.00 -0.61 0.00 0.00 39.78 38.10 1i2v n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i2v n TYR 14 N -2.59 1.54 0.00 3.10 9.36 -1.24 -1.28 117.16 126.05 1i2v n TYR 14 Ca -0.04 0.64 0.00 0.00 3.32 0.00 0.00 57.90 61.82 1i2v n TYR 14 Cb 0.48 -2.29 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 1i2v n TYR 14 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1i2v n THR 15 N 0.15 0.00 0.00 2.97 -1.04 -0.68 -4.76 114.28 110.92 1i2v n THR 15 Ca 0.08 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 1i2v n THR 15 Cb 0.34 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 1i2v n THR 15 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1i2v n SER 16 N -1.57 0.00 -3.32 8.00 2.88 -1.26 -4.74 113.62 113.61 1i2v n SER 16 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1i2v n SER 16 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1i2v n SER 16 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1i2v n ASP 17 N 1.25 0.31 0.00 -3.46 5.68 -1.26 -5.02 116.55 114.05 1i2v n ASP 17 Ca 0.00 -2.65 0.00 0.00 -0.50 0.00 0.00 54.79 51.64 1i2v n ASP 17 Cb 0.00 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 1i2v n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1i2v h ASN 19 N 0.00 0.00 0.43 0.00 -0.00 -1.93 0.50 115.58 114.57 1i2v h ASN 19 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.28 1i2v h ASN 19 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1i2v h ASN 19 CO 0.00 0.00 -0.21 1.23 -0.00 0.00 0.00 177.43 178.45 1i2v h GLY 20 N 0.00 -0.60 0.26 1.57 0.00 0.82 0.34 103.07 105.45 1i2v h GLY 20 Ca 0.50 0.22 0.19 0.00 0.00 0.00 0.00 47.33 48.24 1i2v h GLY 20 CO -0.01 -0.22 0.61 -2.09 0.00 0.00 0.00 176.54 174.83 1i2v h GLU 21 N -0.85 0.56 -0.17 4.80 4.57 0.18 0.57 114.58 124.25 1i2v h GLU 21 Ca -0.06 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 57.93 1i2v h GLU 21 Cb 0.44 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1i2v h GLU 21 CO 0.10 0.37 -0.50 0.00 -1.18 0.00 0.00 179.01 177.80 1i2v h LEU 23 N 0.31 0.08 -1.40 0.00 3.38 0.24 0.12 115.31 118.05 1i2v h LEU 23 Ca -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1i2v h LEU 23 Cb 1.12 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1i2v h LEU 23 CO 0.11 0.21 0.04 -0.07 0.09 0.00 0.00 178.44 178.81 1i2v h LEU 24 N 0.08 0.40 -2.80 1.67 3.38 0.29 -0.97 115.31 117.36 1i2v h LEU 24 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1i2v h LEU 24 Cb 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i2v h LEU 24 CO 0.02 0.44 0.00 0.54 0.09 0.00 0.00 178.44 179.52 1i2v n ARG 25 N -4.34 3.35 -2.45 1.13 3.00 -0.37 -4.91 116.66 112.07 1i2v n ARG 25 Ca 0.01 -2.58 -0.16 0.00 -0.01 0.00 0.00 57.85 55.11 1i2v n ARG 25 Cb 0.20 -1.79 -0.01 0.00 0.00 0.00 0.00 32.46 30.86 1i2v n ARG 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1i2v n GLY 26 N 1.16 -0.50 3.83 -0.13 0.00 -0.37 -4.94 105.19 104.23 1i2v n GLY 26 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1i2v n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i2v s TYR 27 N -2.79 1.24 0.20 1.61 2.02 0.28 -4.96 117.35 114.94 1i2v s TYR 27 Ca 0.01 0.37 0.02 0.00 -0.37 0.00 0.00 57.07 57.10 1i2v s TYR 27 Cb -0.01 -3.92 0.12 0.00 -0.40 0.00 0.00 41.96 37.75 1i2v s TYR 27 CO 0.01 -3.04 1.47 0.87 -1.57 0.00 0.00 175.55 173.29 1i2v h LYS 28 N -1.94 0.28 0.00 -0.62 1.57 -1.85 -3.43 116.57 110.57 1i2v h LYS 28 Ca -0.44 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1i2v h LYS 28 Cb 1.25 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1i2v h LYS 28 CO 0.36 0.88 0.00 0.41 -0.57 0.00 0.00 179.45 180.53 1i2v n GLY 29 N 0.52 -0.80 3.40 3.86 0.00 -1.26 -4.93 105.19 105.98 1i2v n GLY 29 Ca -0.03 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1i2v n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i2v s GLY 30 N 0.00 -0.49 0.09 -0.02 0.00 -1.26 0.11 107.32 105.75 1i2v s GLY 30 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 44.72 45.08 1i2v s GLY 30 CO 0.00 0.22 0.41 -2.38 0.00 0.00 0.00 173.10 171.35 1i2v s HIS 31 N -3.00 -0.24 0.45 1.90 -3.43 0.41 -3.69 115.29 107.68 1i2v s HIS 31 Ca -0.02 0.07 -0.21 0.00 -0.80 0.00 0.00 55.06 54.10 1i2v s HIS 31 Cb -0.00 0.25 -0.10 0.00 -1.43 0.00 0.00 32.58 31.29 1i2v s HIS 31 CO -0.06 -0.64 0.98 0.00 -2.00 0.00 0.00 174.74 173.02 1i2v n GLY 33 N -0.52 -1.74 0.02 0.00 0.00 -0.50 -4.91 105.19 97.53 1i2v n GLY 33 Ca 0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 1i2v n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i2v n SER 34 N -0.15 0.37 -1.78 1.61 2.88 -1.26 -3.84 113.62 111.45 1i2v n SER 34 Ca 0.09 0.16 0.02 0.00 -1.33 0.00 0.00 58.87 57.81 1i2v n SER 34 Cb 0.50 -0.56 0.32 0.00 -0.75 0.00 0.00 64.21 63.73 1i2v n SER 34 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1i2v n PHE 35 N -2.82 1.97 -2.69 0.66 7.35 -1.26 -4.20 117.46 116.46 1i2v n PHE 35 Ca -0.02 -0.81 -0.06 0.00 -0.76 0.00 0.00 57.45 55.80 1i2v n PHE 35 Cb 0.08 -0.53 0.08 0.00 0.35 0.00 0.00 39.48 39.47 1i2v n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1i2v n ALA 36 N 0.30 -0.59 -1.00 3.13 0.00 -1.26 -5.14 120.51 115.94 1i2v n ALA 36 Ca 0.29 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1i2v n ALA 36 Cb 1.16 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1i2v n ALA 36 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1i2v n ASN 37 N -0.22 0.00 0.00 0.00 0.23 -1.25 -4.43 115.26 109.59 1i2v n ASN 37 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 1i2v n ASN 37 Cb 0.76 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.46 1i2v n ASN 37 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 1i2v n VAL 38 N -0.41 0.00 -3.88 3.53 3.14 -1.26 -4.80 118.33 114.66 1i2v n VAL 38 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 1i2v n VAL 38 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 1i2v n VAL 38 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1i2v s ASN 39 N -1.95 0.13 0.13 6.55 -0.87 -1.26 -0.93 114.94 116.74 1i2v s ASN 39 Ca 0.00 -0.58 0.10 0.00 -1.57 0.00 0.00 52.86 50.80 1i2v s ASN 39 Cb 0.00 0.30 -0.04 0.00 -0.02 0.00 0.00 41.25 41.49 1i2v s ASN 39 CO 0.00 -0.64 -0.20 0.00 -2.57 0.00 0.00 177.10 173.68 1i2v s TRP 41 N -1.21 1.53 0.27 0.00 0.52 -0.45 -3.36 118.94 116.23 1i2v s TRP 41 Ca 0.18 -1.12 0.05 0.00 0.02 0.00 0.00 56.10 55.23 1i2v s TRP 41 Cb -0.10 -0.90 -0.02 0.00 -1.15 0.00 0.00 33.47 31.29 1i2v s TRP 41 CO 0.09 -0.26 0.39 0.00 0.02 0.00 0.00 176.95 177.19 1i2v n GLU 43 N -1.47 4.12 0.00 0.00 4.07 0.31 -4.14 120.64 123.53 1i2v n GLU 43 Ca -0.06 -3.92 0.14 0.00 -0.06 0.00 0.00 57.16 53.26 1i2v n GLU 43 Cb 0.57 -2.39 0.59 0.00 -0.06 0.00 0.00 31.44 30.15 1i2v n GLU 43 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32