#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tle s PRO 2 N 0.00 4.63 0.62 2.89 0.04 -1.26 -4.86 135.00 137.06 1tle s PRO 2 Ca 0.00 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1tle s PRO 2 Cb 0.00 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1tle s PRO 2 CO 0.00 0.11 0.00 0.00 0.04 0.00 0.00 177.00 177.15 1tle n GLN 4 N -3.58 0.00 -4.14 0.00 7.27 -1.26 -4.89 117.38 110.78 1tle n GLN 4 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.94 1tle n GLN 4 Cb 0.49 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.08 1tle n GLN 4 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1tle n ASN 6 N -0.92 0.00 0.00 0.00 3.02 -1.26 -4.97 115.26 111.14 1tle n ASN 6 Ca 0.02 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1tle n ASN 6 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1tle n ASN 6 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1tle n ASP 7 N -0.41 0.00 -3.25 6.41 8.00 -1.26 -3.83 116.55 122.22 1tle n ASP 7 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1tle n ASP 7 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1tle n ASP 7 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1tle n ASN 8 N 2.96 4.85 -3.86 -2.24 5.03 -1.26 -5.00 115.26 115.74 1tle n ASN 8 Ca 0.00 -3.60 -0.14 0.00 0.87 0.00 0.00 54.58 51.71 1tle n ASN 8 Cb 0.00 -0.73 -0.08 0.00 -1.02 0.00 0.00 39.78 37.95 1tle n ASN 8 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1tle s ILE 9 N -3.80 0.00 -0.17 2.41 -4.36 -1.25 -1.35 121.20 112.68 1tle s ILE 9 Ca 0.44 -1.88 -0.05 0.00 -0.26 0.00 0.00 60.65 58.90 1tle s ILE 9 Cb 0.22 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.42 1tle s ILE 9 CO -0.08 0.00 -0.01 -1.81 0.24 0.00 0.00 174.94 173.28 1tle s ASP 10 N -3.20 4.98 0.00 4.36 1.01 -1.26 -4.83 116.67 117.73 1tle s ASP 10 Ca 0.36 -0.10 0.27 0.00 0.71 0.00 0.00 52.55 53.79 1tle s ASP 10 Cb 0.04 -1.83 1.56 0.00 1.01 0.00 0.00 42.92 43.70 1tle s ASP 10 CO 0.16 0.14 1.95 -0.81 0.21 0.00 0.00 175.17 176.82 1tle n PRO 11 N 3.72 0.76 0.00 8.23 -0.04 -1.26 -4.01 135.00 142.40 1tle n PRO 11 Ca -0.17 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1tle n PRO 11 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1tle n PRO 11 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1tle h ASN 12 N 0.00 -0.02 -3.45 3.54 -0.26 -2.05 -3.46 115.58 109.89 1tle h ASN 12 Ca 0.00 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.23 1tle h ASN 12 Cb 0.04 0.00 0.21 0.00 -1.06 0.00 0.00 38.32 37.52 1tle h ASN 12 CO 0.00 0.04 -0.43 0.00 -1.06 0.00 0.00 177.43 175.98 1tle n ALA 13 N -2.09 -2.43 -3.30 -0.83 0.00 -1.26 -4.95 120.51 105.65 1tle n ALA 13 Ca -0.00 -0.72 -0.36 0.00 0.00 0.00 0.00 53.44 52.36 1tle n ALA 13 Cb 0.01 -1.86 -0.13 0.00 0.00 0.00 0.00 19.45 17.47 1tle n ALA 13 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tle s VAL 14 N -2.43 3.74 0.00 0.00 1.01 -1.26 -4.51 120.40 116.95 1tle s VAL 14 Ca 0.60 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1tle s VAL 14 Cb -0.21 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1tle s VAL 14 CO 0.65 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.55 1tle n GLY 15 N 4.83 3.09 2.16 4.51 0.00 -1.26 -4.78 105.19 113.75 1tle n GLY 15 Ca -0.16 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1tle n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tle n ASN 16 N 0.59 -0.79 -4.49 1.61 3.02 -1.26 -4.23 115.26 109.71 1tle n ASN 16 Ca 0.00 0.40 -0.26 0.00 -0.03 0.00 0.00 54.58 54.69 1tle n ASN 16 Cb 0.00 -0.87 -0.10 0.00 -0.61 0.00 0.00 39.78 38.20 1tle n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tle s ASN 18 N -3.62 6.77 0.66 0.00 -0.87 -0.17 -4.68 114.94 113.03 1tle s ASN 18 Ca 0.30 2.27 0.42 0.00 -1.57 0.00 0.00 52.86 54.28 1tle s ASN 18 Cb 0.07 -2.57 2.30 0.00 -0.02 0.00 0.00 41.25 41.03 1tle s ASN 18 CO 0.14 -0.75 2.31 0.03 -2.57 0.00 0.00 177.10 176.26 1tle h ARG 19 N 7.70 0.00 0.00 -0.60 3.08 -1.99 -0.09 114.38 122.49 1tle h ARG 19 Ca -0.40 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.42 1tle h ARG 19 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 1tle h ARG 19 CO 0.90 0.00 -1.82 1.47 -1.07 0.00 0.00 179.97 179.45 1tle n LEU 20 N -3.13 2.48 0.06 3.04 -0.00 -1.26 -4.70 117.00 113.49 1tle n LEU 20 Ca -0.03 -0.01 -0.12 0.00 -0.00 0.00 0.00 56.01 55.85 1tle n LEU 20 Cb 0.11 -0.48 -0.13 0.00 -0.00 0.00 0.00 43.42 42.91 1tle n LEU 20 CO 0.20 0.63 -0.15 0.71 -0.00 0.00 0.00 177.39 178.78 1tle h THR 21 N -0.15 1.37 -3.45 1.47 1.35 -1.95 -3.49 112.91 108.06 1tle h THR 21 Ca -0.34 -3.05 -0.01 0.00 -0.55 0.00 0.00 66.41 62.47 1tle h THR 21 Cb 1.45 2.78 0.01 0.00 -1.73 0.00 0.00 68.15 70.66 1tle h THR 21 CO -0.10 0.84 -0.04 0.61 -0.25 0.00 0.00 175.52 176.58 1tle n GLY 22 N 1.52 -0.21 3.44 5.82 0.00 -0.05 -4.94 105.19 110.77 1tle n GLY 22 Ca -0.09 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1tle n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tle s GLU 23 N -3.07 1.21 -0.36 1.61 8.01 -1.26 -4.82 118.70 120.01 1tle s GLU 23 Ca 0.02 -0.38 -0.38 0.00 0.01 0.00 0.00 54.97 54.25 1tle s GLU 23 Cb -0.00 0.56 -0.13 0.00 -4.31 0.00 0.00 34.13 30.24 1tle s GLU 23 CO 0.14 -0.52 2.11 0.00 0.01 0.00 0.00 175.26 177.01 1tle n LEU 25 N 8.72 1.28 -3.04 0.00 7.94 -0.70 -4.37 117.00 126.84 1tle n LEU 25 Ca 0.42 -1.28 -0.24 0.00 -1.11 0.00 0.00 56.01 53.79 1tle n LEU 25 Cb 0.16 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.07 1tle n LEU 25 CO 0.79 0.32 0.03 0.29 -1.11 0.00 0.00 177.39 177.71 1tle n LYS 26 N -0.31 2.51 -1.67 1.96 4.01 -1.20 -4.90 118.16 118.56 1tle n LYS 26 Ca 0.00 -4.40 -0.39 0.00 -0.51 0.00 0.00 58.31 53.01 1tle n LYS 26 Cb 0.32 -2.07 0.04 0.00 -0.51 0.00 0.00 35.03 32.81 1tle n LYS 26 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1tle n ILE 28 N -1.05 1.08 -1.25 0.00 -6.64 -0.46 -4.81 119.36 106.23 1tle n ILE 28 Ca 0.11 0.27 -0.42 0.00 -1.77 0.00 0.00 62.75 60.93 1tle n ILE 28 Cb 0.44 -1.82 -0.04 0.00 -1.44 0.00 0.00 39.64 36.78 1tle n ILE 28 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 1tle n TYR 29 N -3.66 2.20 -3.76 4.28 4.01 -1.26 -4.60 117.16 114.36 1tle n TYR 29 Ca -0.05 -2.06 -0.27 0.00 -0.16 0.00 0.00 57.90 55.35 1tle n TYR 29 Cb 0.20 -1.88 0.01 0.00 -0.31 0.00 0.00 39.34 37.36 1tle n TYR 29 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1tle n ASN 30 N 7.03 -2.96 -4.42 7.72 6.94 -1.26 -4.68 115.26 123.63 1tle n ASN 30 Ca 0.50 -0.81 -0.23 0.00 -0.02 0.00 0.00 54.58 54.02 1tle n ASN 30 Cb 0.39 -1.08 -0.10 0.00 -2.36 0.00 0.00 39.78 36.63 1tle n ASN 30 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1tle s THR 31 N -3.50 2.22 0.18 5.53 -4.23 -1.26 -1.68 115.64 112.91 1tle s THR 31 Ca 0.21 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1tle s THR 31 Cb -0.12 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1tle s THR 31 CO 0.65 -0.41 0.02 0.00 -0.54 0.00 0.00 174.62 174.35 1tle n ALA 32 N -0.36 0.18 0.00 3.99 0.00 -0.57 -4.48 120.51 119.26 1tle n ALA 32 Ca -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1tle n ALA 32 Cb 0.59 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1tle n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tle n GLY 33 N 2.82 -1.18 0.38 0.00 0.00 -1.26 -0.38 105.19 105.57 1tle n GLY 33 Ca -0.06 -1.42 0.16 0.00 0.00 0.00 0.00 46.02 44.70 1tle n GLY 33 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tle h PHE 34 N 0.00 0.45 -0.61 1.61 3.04 -1.98 -1.24 116.94 118.20 1tle h PHE 34 Ca 0.00 0.01 -0.43 0.00 3.98 0.00 0.00 57.97 61.54 1tle h PHE 34 Cb 0.00 -0.14 -0.30 0.00 2.56 0.00 0.00 35.95 38.07 1tle h PHE 34 CO 0.00 0.16 -0.44 0.66 -2.02 0.00 0.00 178.31 176.68 1tle n TYR 35 N -4.47 2.14 -3.73 0.41 4.02 -1.26 -4.22 117.16 110.05 1tle n TYR 35 Ca 0.15 -2.12 -0.22 0.00 -0.01 0.00 0.00 57.90 55.69 1tle n TYR 35 Cb 0.56 -0.50 0.02 0.00 -0.02 0.00 0.00 39.34 39.41 1tle n TYR 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1tle n ASP 37 N -3.03 1.13 -1.13 0.00 8.00 0.48 -4.77 116.55 117.22 1tle n ASP 37 Ca -0.29 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1tle n ASP 37 Cb 0.68 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 1tle n ASP 37 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1tle n ARG 38 N -0.75 1.20 -5.17 -1.24 3.00 -0.69 -4.80 116.66 108.21 1tle n ARG 38 Ca 0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.65 1tle n ARG 38 Cb 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.67 1tle n ARG 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tle n LYS 40 N 2.78 0.95 -1.70 0.00 4.81 -0.67 -4.46 118.16 119.87 1tle n LYS 40 Ca -0.17 0.37 -0.42 0.00 -0.87 0.00 0.00 58.31 57.21 1tle n LYS 40 Cb 0.52 -2.19 -0.03 0.00 0.02 0.00 0.00 35.03 33.34 1tle n LYS 40 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1tle n GLU 41 N -1.01 2.77 0.00 1.64 0.00 -1.26 -2.01 120.64 120.76 1tle n GLU 41 Ca 0.13 1.00 0.00 0.00 0.00 0.00 0.00 57.16 58.30 1tle n GLU 41 Cb 0.47 -2.88 0.00 0.00 0.00 0.00 0.00 31.44 29.03 1tle n GLU 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1tle n GLY 42 N 4.14 1.42 3.04 8.31 0.00 -1.26 -5.04 105.19 115.79 1tle n GLY 42 Ca 0.17 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1tle n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tle s PHE 43 N -0.59 1.56 0.54 1.61 0.08 -0.85 -4.56 117.98 115.76 1tle s PHE 43 Ca 0.00 -0.59 0.04 0.00 0.12 0.00 0.00 56.93 56.51 1tle s PHE 43 Cb 0.00 -1.13 0.03 0.00 -0.57 0.00 0.00 43.02 41.35 1tle s PHE 43 CO 0.00 -0.29 0.31 -0.06 -0.10 0.00 0.00 175.22 175.08 1tle s PHE 44 N 0.65 1.67 -2.26 0.36 0.08 0.49 -4.16 117.98 114.81 1tle s PHE 44 Ca -0.15 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.03 1tle s PHE 44 Cb -0.16 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 1tle s PHE 44 CO 0.04 -0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.25 1tle n GLY 45 N -1.65 0.56 2.75 4.36 0.00 -1.26 -0.70 105.19 109.24 1tle n GLY 45 Ca -0.06 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1tle n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tle s ASN 46 N -4.00 3.53 0.00 1.61 -0.87 -0.08 -4.92 114.94 110.20 1tle s ASN 46 Ca 0.00 -1.23 0.17 0.00 -1.57 0.00 0.00 52.86 50.23 1tle s ASN 46 Cb 0.00 -0.77 1.03 0.00 -0.02 0.00 0.00 41.25 41.49 1tle s ASN 46 CO 0.00 -0.35 1.44 -0.81 -2.57 0.00 0.00 177.10 174.81 1tle n PRO 47 N 4.93 0.59 -1.97 -0.60 -0.04 -1.26 -2.96 135.00 133.68 1tle n PRO 47 Ca -0.06 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.13 1tle n PRO 47 Cb 0.44 -1.46 0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1tle n PRO 47 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1tle n LEU 48 N -0.96 5.40 -4.70 1.53 -0.00 -1.26 -4.76 117.00 112.25 1tle n LEU 48 Ca 0.13 -4.74 -0.24 0.00 -0.00 0.00 0.00 56.01 51.15 1tle n LEU 48 Cb 0.06 -0.47 -0.07 0.00 -0.00 0.00 0.00 43.42 42.94 1tle n LEU 48 CO 0.10 2.02 -0.29 0.00 -0.00 0.00 0.00 177.39 179.21 1tle s ALA 49 N -3.64 3.29 -0.73 1.96 0.00 -1.16 -5.00 121.76 116.48 1tle s ALA 49 Ca 0.53 -1.46 0.25 0.00 0.00 0.00 0.00 51.96 51.28 1tle s ALA 49 Cb 0.42 -1.01 0.91 0.00 0.00 0.00 0.00 23.12 23.44 1tle s ALA 49 CO -0.01 0.37 1.77 -0.35 0.00 0.00 0.00 175.76 177.54 1tle n PRO 50 N -0.58 0.19 -3.81 0.00 -0.04 -1.26 -4.73 135.00 124.77 1tle n PRO 50 Ca -0.08 0.24 -0.35 0.00 -0.04 0.00 0.00 63.50 63.26 1tle n PRO 50 Cb 0.57 -1.76 -0.08 0.00 -0.04 0.00 0.00 33.50 32.19 1tle n PRO 50 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1tle s ASN 51 N -4.13 6.17 0.47 3.54 0.02 -1.26 -4.97 114.94 114.77 1tle s ASN 51 Ca 0.09 0.27 0.26 0.00 -1.02 0.00 0.00 52.86 52.46 1tle s ASN 51 Cb 0.12 -2.06 0.68 0.00 0.02 0.00 0.00 41.25 40.01 1tle s ASN 51 CO 0.52 0.24 1.73 1.55 0.02 0.00 0.00 177.10 181.15 1tle h PRO 52 N 6.25 0.00 -0.00 -0.60 0.13 -1.99 -2.74 132.00 133.05 1tle h PRO 52 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1tle h PRO 52 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1tle h PRO 52 CO 0.71 0.02 -0.52 0.00 -0.23 0.00 0.00 178.00 177.97 1tle n ALA 53 N -2.10 3.64 0.33 -0.56 0.00 -1.26 -3.95 120.51 116.61 1tle n ALA 53 Ca 0.03 -0.42 0.08 0.00 0.00 0.00 0.00 53.44 53.12 1tle n ALA 53 Cb 0.46 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 1tle n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1tle n ASP 54 N -1.19 1.09 0.00 0.00 9.92 -1.16 -4.86 116.55 120.36 1tle n ASP 54 Ca 0.07 -0.40 0.00 0.00 -0.53 0.00 0.00 54.79 53.93 1tle n ASP 54 Cb 0.35 1.38 0.00 0.00 -0.64 0.00 0.00 41.12 42.21 1tle n ASP 54 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1tle n LYS 55 N -1.72 0.00 -3.56 -1.24 5.02 -1.04 -3.51 118.16 112.10 1tle n LYS 55 Ca -0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1tle n LYS 55 Cb 0.33 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.28 1tle n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tle n LYS 57 N 0.94 -0.76 0.00 0.00 5.02 0.12 -4.89 118.16 118.59 1tle n LYS 57 Ca -0.08 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.28 1tle n LYS 57 Cb 0.52 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 35.98 1tle n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88