#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 1.37 1.02 -1.24 3.01 -1.26 -4.95 119.74 117.70 1i2v s LYS 2 Ca 0.00 -1.92 -0.12 0.00 -1.01 0.00 0.00 55.97 52.92 1i2v s LYS 2 Cb 0.00 -2.71 0.16 0.00 -1.01 0.00 0.00 37.83 34.27 1i2v s LYS 2 CO 0.00 -1.06 0.84 -0.11 0.51 0.00 0.00 175.35 175.53 1i2v n LEU 3 N 3.90 0.67 0.00 3.17 0.00 -1.26 0.01 117.00 123.48 1i2v n LEU 3 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 56.01 56.23 1i2v n LEU 3 Cb 0.37 -1.31 0.00 0.00 0.00 0.00 0.00 43.42 42.49 1i2v n LEU 3 CO 0.23 -2.87 -0.13 2.30 0.00 0.00 0.00 177.39 176.92 1i2v n ILE 4 N -4.36 0.00 0.00 1.96 -5.35 -1.09 -4.70 119.36 105.82 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 0.54 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 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 2.00 -0.77 3.99 3.28 0.00 -1.24 -5.02 105.19 107.43 1i2v n GLY 5 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 4.25 -0.35 1.61 0.01 -0.35 -1.21 113.70 113.66 1i2v s SER 6 Ca 0.00 -0.40 0.15 0.00 1.31 0.00 0.00 55.95 57.00 1i2v s SER 6 Cb 0.00 0.08 0.41 0.00 0.21 0.00 0.00 66.02 66.72 1i2v s SER 6 CO 0.00 -1.94 0.87 0.00 0.41 0.00 0.00 173.24 172.58 1i2v s VAL 8 N -2.96 0.08 -1.32 0.00 1.01 -1.26 -4.22 120.40 111.72 1i2v s VAL 8 Ca 0.34 0.27 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 1i2v s VAL 8 Cb 0.41 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.49 1i2v s VAL 8 CO -0.02 0.19 2.30 1.87 0.00 0.00 0.00 175.10 179.43 1i2v n TRP 9 N 4.95 2.86 0.00 5.22 -0.00 -1.26 -3.34 117.44 125.88 1i2v n TRP 9 Ca -0.10 -2.70 0.00 0.00 -0.00 0.00 0.00 57.50 54.69 1i2v n TRP 9 Cb 0.50 -2.32 0.00 0.00 -0.00 0.00 0.00 31.31 29.49 1i2v n TRP 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i2v n GLY 10 N 4.06 -0.77 3.83 5.87 0.00 -1.26 -5.18 105.19 111.75 1i2v n GLY 10 Ca 0.56 0.19 -0.07 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.04 0.79 4.61 0.00 -1.21 -5.14 121.76 119.77 1i2v s ALA 11 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 1i2v s ALA 11 Cb 0.00 0.71 0.08 0.00 0.00 0.00 0.00 23.12 23.91 1i2v s ALA 11 CO 0.00 -1.01 1.14 0.08 0.00 0.00 0.00 175.76 175.97 1i2v s VAL 12 N -2.32 2.07 -0.38 0.00 1.01 -1.26 -3.67 120.40 115.84 1i2v s VAL 12 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1i2v s VAL 12 Cb -0.04 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1i2v s VAL 12 CO 0.09 0.00 0.00 0.59 0.00 0.00 0.00 175.10 175.78 1i2v n ASN 13 N -3.23 -1.93 -4.71 3.32 4.13 -1.26 -4.50 115.26 107.08 1i2v n ASN 13 Ca 0.08 0.36 -0.43 0.00 1.68 0.00 0.00 54.58 56.27 1i2v n ASN 13 Cb 0.61 -1.78 -0.02 0.00 -1.54 0.00 0.00 39.78 37.05 1i2v n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i2v n TYR 14 N -2.64 2.49 0.00 3.10 9.36 -1.24 -1.21 117.16 127.02 1i2v n TYR 14 Ca -0.05 0.36 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1i2v n TYR 14 Cb 0.49 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 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 1.91 0.00 0.00 2.97 -1.04 -1.22 -4.84 114.28 112.06 1i2v n THR 15 Ca 0.10 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1i2v n THR 15 Cb 0.34 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 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 -1.50 0.00 -3.46 8.00 2.88 -1.26 -4.77 113.62 113.51 1i2v n SER 16 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1i2v n SER 16 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 1.42 0.43 -0.06 -3.46 5.75 -1.26 -4.98 116.55 114.39 1i2v n ASP 17 Ca 0.00 -2.62 -0.12 0.00 -0.01 0.00 0.00 54.79 52.05 1i2v n ASP 17 Cb 0.00 -0.61 -0.06 0.00 -1.03 0.00 0.00 41.12 39.42 1i2v n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i2v h ASN 19 N -0.43 0.30 0.17 0.00 -0.26 -1.90 0.04 115.58 113.50 1i2v h ASN 19 Ca 0.09 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1i2v h ASN 19 Cb 0.62 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1i2v h ASN 19 CO -0.48 0.16 -0.08 1.23 -1.06 0.00 0.00 177.43 177.20 1i2v h GLY 20 N 0.32 -0.24 -0.24 2.83 0.00 -0.22 0.46 103.07 105.98 1i2v h GLY 20 Ca 0.34 0.09 0.27 0.00 0.00 0.00 0.00 47.33 48.03 1i2v h GLY 20 CO -0.09 -0.09 0.64 -2.09 0.00 0.00 0.00 176.54 174.91 1i2v h GLU 21 N -0.37 0.44 -0.07 4.80 4.81 0.00 0.66 114.58 124.85 1i2v h GLU 21 Ca -0.02 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 58.97 1i2v h GLU 21 Cb 0.17 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1i2v h GLU 21 CO 0.04 0.29 -0.79 0.00 -0.73 0.00 0.00 179.01 177.82 1i2v h LEU 23 N 0.31 0.01 -1.32 0.00 3.38 0.43 0.25 115.31 118.38 1i2v h LEU 23 Ca -0.08 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1i2v h LEU 23 Cb 1.44 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1i2v h LEU 23 CO 0.16 0.20 -0.08 -0.07 0.09 0.00 0.00 178.44 178.74 1i2v h LEU 24 N 0.01 0.34 -1.73 1.67 3.38 0.26 -0.86 115.31 118.38 1i2v h LEU 24 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1i2v h LEU 24 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1i2v h LEU 24 CO 0.03 0.46 0.00 0.54 0.09 0.00 0.00 178.44 179.56 1i2v n ARG 25 N -4.27 2.12 -1.47 1.13 3.00 -0.29 -4.91 116.66 111.97 1i2v n ARG 25 Ca 0.00 -1.70 -0.12 0.00 -0.01 0.00 0.00 57.85 56.02 1i2v n ARG 25 Cb 0.26 -1.44 -0.04 0.00 0.00 0.00 0.00 32.46 31.24 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 1.31 1.08 3.81 -0.13 0.00 -0.33 -4.98 105.19 105.95 1i2v n GLY 26 Ca 0.17 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.46 3.23 0.31 1.61 2.02 0.74 -4.92 117.35 117.87 1i2v s TYR 27 Ca 0.00 1.61 0.06 0.00 -0.37 0.00 0.00 57.07 58.37 1i2v s TYR 27 Cb 0.00 -2.95 0.83 0.00 -0.40 0.00 0.00 41.96 39.44 1i2v s TYR 27 CO 0.00 -0.37 1.64 0.87 -1.57 0.00 0.00 175.55 176.12 1i2v h LYS 28 N 1.92 0.21 0.00 -0.62 6.56 -1.86 -3.38 116.57 119.41 1i2v h LYS 28 Ca -0.49 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 1i2v h LYS 28 Cb 1.20 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 1i2v h LYS 28 CO 0.61 0.14 0.00 0.41 -2.06 0.00 0.00 179.45 178.55 1i2v n GLY 29 N -1.36 -1.06 3.48 3.86 0.00 -1.26 -4.94 105.19 103.90 1i2v n GLY 29 Ca 0.25 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.56 0.12 -0.02 0.00 -1.26 0.11 107.32 105.71 1i2v s GLY 30 Ca 0.00 0.96 -0.19 0.00 0.00 0.00 0.00 44.72 45.49 1i2v s GLY 30 CO 0.00 0.51 0.48 -2.38 0.00 0.00 0.00 173.10 171.72 1i2v s HIS 31 N -2.62 -0.35 0.46 1.90 -3.43 0.48 -3.76 115.29 107.98 1i2v s HIS 31 Ca -0.02 0.14 -0.20 0.00 -0.80 0.00 0.00 55.06 54.17 1i2v s HIS 31 Cb -0.01 0.37 -0.10 0.00 -1.43 0.00 0.00 32.58 31.42 1i2v s HIS 31 CO -0.04 -0.74 0.99 0.00 -2.00 0.00 0.00 174.74 172.96 1i2v n GLY 33 N -0.54 -0.66 1.52 0.00 0.00 -0.57 -4.48 105.19 100.45 1i2v n GLY 33 Ca 0.08 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -4.56 -0.50 -2.73 1.61 2.88 -1.26 -4.99 113.62 104.08 1i2v n SER 34 Ca 0.05 0.12 -0.03 0.00 -1.33 0.00 0.00 58.87 57.68 1i2v n SER 34 Cb 0.16 0.79 0.02 0.00 -0.75 0.00 0.00 64.21 64.44 1i2v n SER 34 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1i2v s PHE 35 N -2.00 -0.83 0.00 0.66 2.19 -1.26 -4.93 117.98 111.80 1i2v s PHE 35 Ca 0.00 -0.26 0.00 0.00 0.33 0.00 0.00 56.93 57.00 1i2v s PHE 35 Cb 0.00 0.16 0.00 0.00 -1.31 0.00 0.00 43.02 41.87 1i2v s PHE 35 CO 0.00 -0.65 0.00 0.00 1.83 0.00 0.00 175.22 176.40 1i2v n ALA 36 N 2.83 0.00 0.29 11.12 0.00 -1.26 -4.92 120.51 128.58 1i2v n ALA 36 Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.75 1i2v n ALA 36 Cb 0.61 -0.45 0.94 0.00 0.00 0.00 0.00 19.45 20.56 1i2v n ALA 36 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1i2v h ASN 37 N 0.00 0.00 0.00 0.00 -0.73 -1.91 -3.44 115.58 109.50 1i2v h ASN 37 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1i2v h ASN 37 Cb 0.89 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.48 1i2v h ASN 37 CO 0.00 0.00 0.00 0.55 -0.37 0.00 0.00 177.43 177.61 1i2v n VAL 38 N -2.81 0.00 -4.48 2.57 3.14 -1.26 -4.93 118.33 110.56 1i2v n VAL 38 Ca -0.02 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.15 1i2v n VAL 38 Cb 0.17 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.79 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 -2.81 1.38 0.03 6.55 -0.87 -1.26 -0.59 114.94 117.36 1i2v s ASN 39 Ca 0.00 -0.22 0.05 0.00 -1.57 0.00 0.00 52.86 51.12 1i2v s ASN 39 Cb 0.00 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.25 40.86 1i2v s ASN 39 CO 0.00 0.09 -0.10 0.00 -2.57 0.00 0.00 177.10 174.53 1i2v s TRP 41 N -1.02 1.38 0.70 0.00 0.52 -0.42 -2.68 118.94 117.41 1i2v s TRP 41 Ca 0.17 -0.61 -0.06 0.00 0.02 0.00 0.00 56.10 55.62 1i2v s TRP 41 Cb -0.11 -0.71 0.06 0.00 -1.15 0.00 0.00 33.47 31.57 1i2v s TRP 41 CO 0.08 0.14 1.01 0.00 0.02 0.00 0.00 176.95 178.20 1i2v n GLU 43 N -2.91 4.11 0.00 0.00 1.02 0.30 -4.20 120.64 118.95 1i2v n GLU 43 Ca 0.08 -3.88 0.14 0.00 -0.02 0.00 0.00 57.16 53.48 1i2v n GLU 43 Cb 0.60 -2.39 0.53 0.00 -0.02 0.00 0.00 31.44 30.16 1i2v n GLU 43 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94