#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n ARG 6 N 0.00 2.34 0.00 1.45 3.00 -1.26 -3.32 116.66 118.87 3kir n ARG 6 Ca 0.00 -1.66 0.00 0.00 -0.01 0.00 0.00 57.85 56.18 3kir n ARG 6 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 32.46 30.69 3kir n ARG 6 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3kir n ILE 7 N -0.06 0.00 -1.67 0.55 0.13 -1.26 -4.81 119.36 112.24 3kir n ILE 7 Ca 0.25 0.00 -0.25 0.00 -1.10 0.00 0.00 62.75 61.64 3kir n ILE 7 Cb 0.97 0.46 0.07 0.00 -0.84 0.00 0.00 39.64 40.30 3kir n ILE 7 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3kir n LYS 8 N 0.00 2.99 -1.16 9.51 3.00 -1.21 -3.33 118.16 127.96 3kir n LYS 8 Ca 0.00 -3.68 -0.40 0.00 -0.00 0.00 0.00 58.31 54.23 3kir n LYS 8 Cb 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 35.03 32.79 3kir n LYS 8 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 3kir n LEU 9 N -0.86 -1.07 -4.82 3.14 -0.00 -1.23 -4.24 117.00 107.92 3kir n LEU 9 Ca 0.50 0.93 -0.38 0.00 -0.00 0.00 0.00 56.01 57.06 3kir n LEU 9 Cb 0.88 -0.79 -0.06 0.00 -0.00 0.00 0.00 43.42 43.46 3kir n LEU 9 CO 0.52 -2.50 0.06 -1.48 -0.00 0.00 0.00 177.39 173.98 3kir s LEU 10 N 2.52 4.43 0.00 1.47 2.34 -1.26 -1.54 118.68 126.63 3kir s LEU 10 Ca 0.53 0.84 0.00 0.00 0.06 0.00 0.00 54.13 55.56 3kir s LEU 10 Cb -0.77 -2.50 -0.00 0.00 -0.56 0.00 0.00 46.19 42.36 3kir s LEU 10 CO 0.47 0.29 0.00 0.00 -1.06 0.00 0.00 176.35 176.05 3kir n LEU 11 N 2.16 0.00 -4.36 1.48 -0.00 -0.69 -4.78 117.00 110.81 3kir n LEU 11 Ca -0.14 -0.07 -0.18 0.00 -0.00 0.00 0.00 56.01 55.62 3kir n LEU 11 Cb 0.53 0.03 -0.10 0.00 -0.00 0.00 0.00 43.42 43.87 3kir n LEU 11 CO 0.37 -0.01 -0.29 -1.61 -0.00 0.00 0.00 177.39 175.85 3kir s GLU 12 N -2.03 1.45 -0.12 1.47 2.02 -1.22 0.25 118.70 120.52 3kir s GLU 12 Ca 0.01 -1.77 0.01 0.00 0.02 0.00 0.00 54.97 53.24 3kir s GLU 12 Cb 0.00 -0.56 0.02 0.00 0.10 0.00 0.00 34.13 33.69 3kir s GLU 12 CO 0.00 -0.19 -0.13 0.00 0.02 0.00 0.00 175.26 174.96 3kir s THR 14 N 1.22 4.04 0.48 0.00 -1.32 -0.43 -1.81 115.64 117.83 3kir s THR 14 Ca -0.02 -1.03 -0.22 0.00 -1.21 0.00 0.00 61.69 59.21 3kir s THR 14 Cb -0.14 -3.27 -0.09 0.00 -1.51 0.00 0.00 72.50 67.49 3kir s THR 14 CO -0.05 -0.19 0.95 1.21 -2.21 0.00 0.00 174.62 174.34 3kir n GLU 15 N 4.87 1.16 0.00 7.08 2.13 -1.24 -2.27 120.64 132.37 3kir n GLU 15 Ca -0.12 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.12 3kir n GLU 15 Cb 0.45 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.12 3kir n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kir n LYS 17 N -1.38 -7.84 -0.54 0.00 4.01 -1.26 -4.77 118.16 106.39 3kir n LYS 17 Ca 0.00 0.82 0.01 0.00 -0.51 0.00 0.00 58.31 58.63 3kir n LYS 17 Cb 0.00 -5.85 -0.00 0.00 -0.51 0.00 0.00 35.03 28.67 3kir n LYS 17 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3kir n ARG 18 N -4.92 -0.15 0.00 1.97 3.00 -1.25 -4.94 116.66 110.37 3kir n ARG 18 Ca -0.01 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 3kir n ARG 18 Cb 0.57 -0.65 0.00 0.00 0.00 0.00 0.00 32.46 32.38 3kir n ARG 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3kir n ARG 19 N -2.86 0.00 -1.03 -0.14 3.00 -1.26 -4.84 116.66 109.52 3kir n ARG 19 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3kir n ARG 19 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.59 3kir n ARG 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3kir n ASN 20 N -3.91 -5.97 -1.43 0.55 3.02 -1.26 -4.07 115.26 102.19 3kir n ASN 20 Ca 0.00 0.80 -0.02 0.00 -0.03 0.00 0.00 54.58 55.33 3kir n ASN 20 Cb 0.00 -2.71 -0.01 0.00 -0.61 0.00 0.00 39.78 36.45 3kir n ASN 20 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3kir n TYR 21 N -0.78 -0.04 0.00 3.10 4.02 -1.26 -3.70 117.16 118.50 3kir n TYR 21 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 3kir n TYR 21 Cb 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 3kir n TYR 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kir n ALA 22 N -2.79 1.94 -1.12 -0.72 0.00 -0.75 -4.92 120.51 112.15 3kir n ALA 22 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kir n ALA 22 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3kir n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kir n THR 23 N -1.66 -6.14 -2.85 0.00 -2.24 -1.26 -4.84 114.28 95.28 3kir n THR 23 Ca 0.00 1.21 0.00 0.00 -2.27 0.00 0.00 64.05 62.99 3kir n THR 23 Cb 0.00 -3.39 0.00 0.00 -2.10 0.00 0.00 70.33 64.84 3kir n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kir n GLU 24 N 0.67 0.79 -3.88 -0.78 -0.58 0.69 -4.88 120.64 112.67 3kir n GLU 24 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 3kir n GLU 24 Cb 0.00 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.72 3kir n GLU 24 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3kir s LYS 25 N 1.15 0.13 0.00 3.49 2.20 -1.26 -1.71 119.74 123.74 3kir s LYS 25 Ca 0.00 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 3kir s LYS 25 Cb 0.00 -0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.03 3kir s LYS 25 CO 0.00 -0.09 0.00 -1.71 -0.36 0.00 0.00 175.35 173.19 3kir n ASN 26 N 3.81 0.00 0.00 1.43 2.85 -0.59 -4.89 115.26 117.87 3kir n ASN 26 Ca -0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.24 3kir n ASN 26 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 3kir n ASN 26 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3kir n LYS 27 N 0.00 0.00 0.00 1.20 0.00 -1.26 -4.82 118.16 113.28 3kir n LYS 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3kir n LYS 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3kir n LYS 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3kir n ARG 28 N 0.00 0.00 0.00 1.64 1.74 -1.21 0.50 116.66 119.34 3kir n ARG 28 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 3kir n ARG 28 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3kir n ARG 28 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 3kir h ASN 29 N 0.00 0.79 -3.24 0.55 7.08 -1.84 -3.35 115.58 115.58 3kir h ASN 29 Ca 0.00 -0.53 -0.45 0.00 -3.08 0.00 0.00 56.30 52.24 3kir h ASN 29 Cb 0.00 -0.24 0.22 0.00 -2.08 0.00 0.00 38.32 36.22 3kir h ASN 29 CO 0.00 1.31 -0.11 1.07 -2.08 0.00 0.00 177.43 177.62 3kir n THR 30 N -3.90 0.00 -0.79 6.14 5.66 0.18 -4.34 114.28 117.23 3kir n THR 30 Ca -0.07 -0.38 -0.02 0.00 -3.05 0.00 0.00 64.05 60.53 3kir n THR 30 Cb 0.74 -0.95 -0.02 0.00 -1.55 0.00 0.00 70.33 68.55 3kir n THR 30 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3kir n PRO 31 N -4.55 0.00 -3.65 1.09 -0.02 -1.26 -4.75 135.00 121.86 3kir n PRO 31 Ca 0.04 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.47 3kir n PRO 31 Cb 0.55 -0.74 -0.06 0.00 -0.02 0.00 0.00 33.50 33.22 3kir n PRO 31 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3kir s ASN 32 N 0.00 -0.87 -0.02 2.55 0.01 -1.26 -5.01 114.94 110.34 3kir s ASN 32 Ca 0.13 1.39 -0.03 0.00 -0.71 0.00 0.00 52.86 53.64 3kir s ASN 32 Cb -0.08 1.76 -0.02 0.00 0.41 0.00 0.00 41.25 43.32 3kir s ASN 32 CO 0.06 -0.22 -0.06 1.17 -1.51 0.00 0.00 177.10 176.53 3kir n LYS 33 N 5.05 0.10 -3.33 -0.60 4.81 -1.26 -4.69 118.16 118.24 3kir n LYS 33 Ca -0.14 0.04 0.03 0.00 -0.87 0.00 0.00 58.31 57.37 3kir n LYS 33 Cb 0.52 -0.67 -0.03 0.00 0.02 0.00 0.00 35.03 34.87 3kir n LYS 33 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3kir s LEU 34 N -6.55 -0.66 0.50 3.14 0.20 -1.26 -5.13 118.68 108.92 3kir s LEU 34 Ca -0.06 0.72 -0.22 0.00 0.69 0.00 0.00 54.13 55.26 3kir s LEU 34 Cb 0.02 1.68 -0.08 0.00 -0.43 0.00 0.00 46.19 47.38 3kir s LEU 34 CO 0.08 -0.13 1.10 1.21 -0.29 0.00 0.00 176.35 178.33 3kir n GLU 35 N 5.17 1.37 -3.15 1.98 4.07 -1.26 -4.90 120.64 123.91 3kir n GLU 35 Ca -0.08 0.50 0.05 0.00 -0.06 0.00 0.00 57.16 57.57 3kir n GLU 35 Cb 0.52 -2.24 -0.01 0.00 -0.06 0.00 0.00 31.44 29.65 3kir n GLU 35 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3kir s LEU 36 N -1.73 -0.77 -0.19 4.31 2.96 -1.26 -2.28 118.68 119.72 3kir s LEU 36 Ca 0.68 0.46 -0.28 0.00 -0.22 0.00 0.00 54.13 54.77 3kir s LEU 36 Cb -0.48 1.64 0.11 0.00 0.50 0.00 0.00 46.19 47.96 3kir s LEU 36 CO 0.53 -0.14 0.92 0.00 -1.32 0.00 0.00 176.35 176.33 3kir s ARG 37 N 2.92 0.68 -0.05 1.98 1.70 -1.06 -5.05 118.95 120.07 3kir s ARG 37 Ca 0.07 0.41 -0.38 0.00 -0.47 0.00 0.00 55.73 55.36 3kir s ARG 37 Cb -0.11 0.33 -0.17 0.00 -0.57 0.00 0.00 34.95 34.43 3kir s ARG 37 CO -0.15 -0.16 1.47 1.17 -1.08 0.00 0.00 175.30 176.55 3kir n LYS 38 N 1.45 1.08 -3.81 3.89 4.81 -1.15 -4.36 118.16 120.07 3kir n LYS 38 Ca -0.13 0.39 -0.09 0.00 -0.87 0.00 0.00 58.31 57.61 3kir n LYS 38 Cb 0.57 -2.04 -0.05 0.00 0.02 0.00 0.00 35.03 33.53 3kir n LYS 38 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3kir s TYR 39 N 1.53 0.04 -0.22 5.64 1.51 -0.86 -4.98 117.35 120.01 3kir s TYR 39 Ca 0.90 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 56.50 3kir s TYR 39 Cb -1.02 0.26 -0.03 0.00 -0.11 0.00 0.00 41.96 41.07 3kir s TYR 39 CO 0.54 -0.87 0.05 0.00 -1.11 0.00 0.00 175.55 174.16 3kir s PRO 41 N 1.12 1.94 0.00 0.00 0.04 -1.26 -4.96 135.00 131.88 3kir s PRO 41 Ca 0.04 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 60.00 3kir s PRO 41 Cb -0.14 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 32.03 3kir s PRO 41 CO 0.03 -1.22 0.98 1.87 0.04 0.00 0.00 177.00 178.70 3kir n TRP 42 N -2.67 0.00 -3.73 0.56 -0.00 -1.26 -4.57 117.44 105.77 3kir n TRP 42 Ca 0.13 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.39 3kir n TRP 42 Cb 0.60 0.00 -0.17 0.00 -0.00 0.00 0.00 31.31 31.74 3kir n TRP 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3kir n ARG 44 N 5.15 0.00 0.00 0.00 1.74 -1.26 -4.95 116.66 117.34 3kir n ARG 44 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3kir n ARG 44 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 3kir n ARG 44 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kir n LYS 45 N 8.95 3.99 -2.22 5.56 5.02 -1.26 -4.89 118.16 133.30 3kir n LYS 45 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3kir n LYS 45 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3kir n LYS 45 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kir s HIS 46 N 1.51 3.10 0.00 2.13 3.76 -1.26 -4.08 115.29 120.45 3kir s HIS 46 Ca 0.00 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.42 3kir s HIS 46 Cb 0.00 -3.52 0.00 0.00 1.11 0.00 0.00 32.58 30.17 3kir s HIS 46 CO 0.00 -1.51 0.00 -2.37 -0.85 0.00 0.00 174.74 170.01 3kir n THR 47 N 0.52 0.00 0.00 1.30 5.66 0.29 -4.97 114.28 117.09 3kir n THR 47 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 3kir n THR 47 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 3kir n THR 47 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3kir n VAL 48 N 0.00 0.00 -0.78 1.08 0.24 -1.26 -2.03 118.33 115.58 3kir n VAL 48 Ca 0.00 0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 3kir n VAL 48 Cb 0.00 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 3kir n VAL 48 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3kir n HIS 49 N -0.74 0.00 -4.91 6.34 8.25 -1.25 -2.94 115.22 119.97 3kir n HIS 49 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 3kir n HIS 49 Cb 0.00 -1.59 -0.14 0.00 1.12 0.00 0.00 29.99 29.37 3kir n HIS 49 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3kir s ARG 50 N -1.85 1.94 0.46 -0.41 1.70 -0.96 -2.56 118.95 117.28 3kir s ARG 50 Ca 0.00 -1.03 -0.22 0.00 -0.47 0.00 0.00 55.73 54.00 3kir s ARG 50 Cb 0.00 -2.06 -0.10 0.00 -0.57 0.00 0.00 34.95 32.23 3kir s ARG 50 CO 0.00 0.53 0.88 -1.91 -1.08 0.00 0.00 175.30 173.72 3kir n GLU 51 N 1.85 1.07 -3.82 3.89 2.13 -0.96 -1.31 120.64 123.48 3kir n GLU 51 Ca -0.17 0.39 -0.04 0.00 0.66 0.00 0.00 57.16 58.00 3kir n GLU 51 Cb 0.52 -1.94 0.01 0.00 0.27 0.00 0.00 31.44 30.29 3kir n GLU 51 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kir s VAL 52 N -1.39 0.00 0.00 6.31 0.11 -0.85 -4.83 120.40 119.75 3kir s VAL 52 Ca 0.66 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 3kir s VAL 52 Cb -0.53 -2.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 3kir s VAL 52 CO 0.55 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.49 3kir n LYS 53 N -0.59 0.00 0.00 1.54 3.00 -1.26 -3.37 118.16 117.48 3kir n LYS 53 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.33 3kir n LYS 53 Cb 0.60 0.00 0.40 0.00 0.00 0.00 0.00 35.03 36.03 3kir n LYS 53 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84