#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1crf s LYS 2 N 0.00 2.56 0.15 3.23 1.02 -1.26 -1.95 119.74 123.49 1crf s LYS 2 Ca 0.00 -1.31 0.01 0.00 0.02 0.00 0.00 55.97 54.69 1crf s LYS 2 Cb 0.00 -3.56 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1crf s LYS 2 CO 0.00 -0.78 0.08 0.00 -0.92 0.00 0.00 175.35 173.73 1crf s ASN 4 N -1.87 1.45 -0.21 0.00 4.22 -1.26 -1.42 114.94 115.84 1crf s ASN 4 Ca 0.06 -1.25 -0.11 0.00 -2.14 0.00 0.00 52.86 49.43 1crf s ASN 4 Cb -0.00 0.09 -0.05 0.00 1.28 0.00 0.00 41.25 42.56 1crf s ASN 4 CO 0.04 -0.59 0.16 -0.54 -2.04 0.00 0.00 177.10 174.13 1crf s LYS 5 N -3.93 4.15 2.08 3.55 1.02 -1.12 -4.60 119.74 120.88 1crf s LYS 5 Ca 0.29 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1crf s LYS 5 Cb 0.06 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1crf s LYS 5 CO 0.08 0.18 0.00 1.28 -0.92 0.00 0.00 175.35 175.98 1crf n LEU 6 N 3.88 0.00 0.11 3.17 4.32 -1.26 -3.93 117.00 123.29 1crf n LEU 6 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 1crf n LEU 6 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1crf n LEU 6 CO 0.37 0.00 0.00 1.33 -1.22 0.00 0.00 177.39 177.87 1crf n VAL 7 N 0.00 0.00 -2.38 4.08 0.24 -1.26 -4.60 118.33 114.41 1crf n VAL 7 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.96 1crf n VAL 7 Cb 0.00 -0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 32.26 1crf n VAL 7 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1crf s PRO 8 N -1.52 3.60 0.00 7.34 0.04 -1.26 -3.24 135.00 139.97 1crf s PRO 8 Ca 0.00 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1crf s PRO 8 Cb 0.00 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1crf s PRO 8 CO 0.00 -0.60 0.00 -0.11 0.04 0.00 0.00 177.00 176.33 1crf n LEU 9 N -1.25 0.00 0.00 -3.56 -0.00 -1.26 -4.81 117.00 106.12 1crf n LEU 9 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1crf n LEU 9 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1crf n LEU 9 CO 0.42 0.00 0.00 0.49 -0.00 0.00 0.00 177.39 178.30 1crf n PHE 10 N 0.00 -1.36 0.00 1.96 3.01 -1.20 -4.87 117.46 115.00 1crf n PHE 10 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1crf n PHE 10 Cb 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1crf n PHE 10 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1crf n TYR 11 N -0.92 0.00 0.00 1.38 9.36 -1.24 -2.79 117.16 122.94 1crf n TYR 11 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1crf n TYR 11 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1crf n TYR 11 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1crf n LYS 12 N 0.00 0.00 -3.73 2.98 4.81 -0.51 -4.92 118.16 116.78 1crf n LYS 12 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 1crf n LYS 12 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1crf n LYS 12 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1crf s THR 13 N -3.22 5.41 -0.39 3.15 2.01 -1.26 0.14 115.64 121.49 1crf s THR 13 Ca 0.00 0.19 0.11 0.00 0.31 0.00 0.00 61.69 62.31 1crf s THR 13 Cb 0.00 -3.47 0.43 0.00 0.01 0.00 0.00 72.50 69.47 1crf s THR 13 CO 0.00 0.45 1.02 0.00 -0.69 0.00 0.00 174.62 175.39 1crf s PRO 15 N -3.31 3.83 0.00 0.00 0.04 -1.26 -4.73 135.00 129.56 1crf s PRO 15 Ca 0.38 -1.66 0.00 0.00 0.04 0.00 0.00 61.00 59.76 1crf s PRO 15 Cb 0.42 -5.44 0.00 0.00 0.04 0.00 0.00 34.50 29.52 1crf s PRO 15 CO -0.08 -2.21 0.00 0.00 0.04 0.00 0.00 177.00 174.75 1crf n ALA 16 N 8.47 0.00 0.00 8.56 0.00 -1.26 -4.97 120.51 131.31 1crf n ALA 16 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1crf n ALA 16 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1crf n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1crf n GLY 17 N 0.00 3.02 0.00 0.00 0.00 -1.26 -4.92 105.19 102.03 1crf n GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1crf n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1crf n LYS 18 N -1.06 1.60 0.07 1.61 4.76 -1.26 -4.96 118.16 118.92 1crf n LYS 18 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1crf n LYS 18 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1crf n LYS 18 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1crf n ASN 19 N 0.00 -1.12 -1.53 4.39 2.85 -1.24 -4.85 115.26 113.76 1crf n ASN 19 Ca 0.00 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 1crf n ASN 19 Cb 0.00 1.34 0.00 0.00 1.24 0.00 0.00 39.78 42.36 1crf n ASN 19 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1crf n LEU 20 N -2.80 0.00 0.00 1.20 4.32 -0.59 -4.96 117.00 114.17 1crf n LEU 20 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 1crf n LEU 20 Cb 0.00 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 1crf n LEU 20 CO 0.00 0.00 0.18 0.00 -1.22 0.00 0.00 177.39 176.35 1crf s TYR 22 N -1.42 0.09 -0.39 0.00 5.04 0.60 -1.54 117.35 119.72 1crf s TYR 22 Ca 0.33 -0.45 0.06 0.00 -2.44 0.00 0.00 57.07 54.57 1crf s TYR 22 Cb -0.03 -0.02 0.17 0.00 0.35 0.00 0.00 41.96 42.43 1crf s TYR 22 CO 0.21 -0.53 0.52 0.15 -1.34 0.00 0.00 175.55 174.56 1crf s LYS 23 N -3.52 0.74 -0.15 4.97 1.02 0.24 -2.00 119.74 121.04 1crf s LYS 23 Ca 0.02 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.44 1crf s LYS 23 Cb 0.03 -0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.05 1crf s LYS 23 CO -0.09 -1.20 -0.07 0.00 -0.92 0.00 0.00 175.35 173.07 1crf s MET 24 N 1.64 3.54 0.28 1.68 0.23 -0.45 -1.55 119.30 124.67 1crf s MET 24 Ca 0.17 -0.59 -0.20 0.00 -1.03 0.00 0.00 55.69 54.04 1crf s MET 24 Cb -0.09 -2.83 0.06 0.00 -1.53 0.00 0.00 34.83 30.44 1crf s MET 24 CO -0.05 0.19 0.87 -0.59 -2.03 0.00 0.00 175.02 173.41 1crf s PHE 25 N 0.47 0.02 -0.01 3.16 -0.12 -0.79 -2.08 117.98 118.64 1crf s PHE 25 Ca -0.06 -0.54 0.06 0.00 -0.05 0.00 0.00 56.93 56.35 1crf s PHE 25 Cb -0.15 0.75 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 1crf s PHE 25 CO 0.03 -1.24 -0.19 0.00 -0.05 0.00 0.00 175.22 173.78 1crf s MET 26 N -2.66 2.23 0.32 1.99 0.23 -1.25 -0.29 119.30 119.87 1crf s MET 26 Ca 0.16 -0.87 -0.28 0.00 -1.03 0.00 0.00 55.69 53.67 1crf s MET 26 Cb -0.04 -2.22 -0.10 0.00 -1.53 0.00 0.00 34.83 30.94 1crf s MET 26 CO 0.08 0.57 1.18 0.14 -2.03 0.00 0.00 175.02 174.96 1crf s VAL 27 N -0.78 3.17 0.00 5.16 -7.23 -1.17 -4.64 120.40 114.91 1crf s VAL 27 Ca 0.12 1.15 0.00 0.00 -1.81 0.00 0.00 61.98 61.44 1crf s VAL 27 Cb -0.10 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1crf s VAL 27 CO 0.02 0.25 0.00 -0.24 -0.31 0.00 0.00 175.10 174.82 1crf n SER 28 N 0.86 0.53 0.00 4.85 2.88 -1.26 -4.96 113.62 116.52 1crf n SER 28 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1crf n SER 28 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1crf n SER 28 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1crf n ASN 29 N -2.63 0.68 -2.93 -3.46 0.23 -1.26 -4.96 115.26 100.92 1crf n ASN 29 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.92 1crf n ASN 29 Cb 0.29 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.01 1crf n ASN 29 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1crf n LEU 30 N -2.28 0.26 -3.26 -4.53 7.94 -1.26 -5.03 117.00 108.83 1crf n LEU 30 Ca 0.00 -4.32 -0.18 0.00 -1.11 0.00 0.00 56.01 50.40 1crf n LEU 30 Cb 0.18 0.61 0.02 0.00 0.53 0.00 0.00 43.42 44.76 1crf n LEU 30 CO 0.00 2.03 -0.36 0.41 -1.11 0.00 0.00 177.39 178.35 1crf n THR 31 N 0.12 -4.31 -5.05 1.96 -1.04 -1.26 -4.96 114.28 99.75 1crf n THR 31 Ca 0.15 0.46 -0.32 0.00 -2.04 0.00 0.00 64.05 62.30 1crf n THR 31 Cb 0.73 -3.87 -0.14 0.00 -1.82 0.00 0.00 70.33 65.22 1crf n THR 31 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1crf s VAL 32 N -1.37 2.67 0.32 12.58 1.01 -1.26 -5.02 120.40 129.33 1crf s VAL 32 Ca 0.18 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 1crf s VAL 32 Cb -0.02 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 1crf s VAL 32 CO 0.50 0.58 0.99 -2.16 0.00 0.00 0.00 175.10 175.01 1crf s PRO 33 N -0.62 4.54 0.17 2.72 0.04 -1.26 -4.59 135.00 135.99 1crf s PRO 33 Ca 0.09 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1crf s PRO 33 Cb -0.11 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1crf s PRO 33 CO 0.00 0.21 0.00 0.28 0.04 0.00 0.00 177.00 177.53 1crf n VAL 34 N 0.65 0.56 -3.84 -0.36 0.31 -1.26 -4.94 118.33 109.45 1crf n VAL 34 Ca 0.02 0.18 -0.31 0.00 -0.01 0.00 0.00 64.34 64.22 1crf n VAL 34 Cb 0.49 -0.99 -0.04 0.00 -0.91 0.00 0.00 33.84 32.38 1crf n VAL 34 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1crf s LYS 35 N -1.88 3.49 0.26 5.55 2.20 -0.88 -4.24 119.74 124.23 1crf s LYS 35 Ca 0.00 -0.33 -0.21 0.00 -0.36 0.00 0.00 55.97 55.06 1crf s LYS 35 Cb 0.00 -2.98 0.03 0.00 -1.51 0.00 0.00 37.83 33.37 1crf s LYS 35 CO 0.00 0.57 0.70 1.03 -0.36 0.00 0.00 175.35 177.28 1crf s ARG 36 N -2.55 1.69 0.00 4.03 0.52 -1.26 -1.35 118.95 120.03 1crf s ARG 36 Ca 0.37 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1crf s ARG 36 Cb -0.13 0.61 0.00 0.00 0.52 0.00 0.00 34.95 35.95 1crf s ARG 36 CO 0.27 -0.77 0.00 0.41 0.02 0.00 0.00 175.30 175.23 1crf n GLY 37 N -0.44 -0.56 3.57 -3.53 0.00 -0.85 -4.58 105.19 98.80 1crf n GLY 37 Ca -0.06 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 1crf n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1crf s ILE 39 N 1.78 0.32 -0.15 0.00 1.10 0.40 -4.74 121.20 119.90 1crf s ILE 39 Ca 0.07 -1.92 0.10 0.00 -0.51 0.00 0.00 60.65 58.39 1crf s ILE 39 Cb -0.16 -2.00 -0.16 0.00 0.15 0.00 0.00 42.46 40.29 1crf s ILE 39 CO 0.11 -0.55 -0.00 -0.67 -2.11 0.00 0.00 174.94 171.72 1crf n ASP 40 N -0.12 1.77 -4.51 4.50 -0.08 -1.26 -1.54 116.55 115.31 1crf n ASP 40 Ca -0.07 -0.02 -0.34 0.00 -1.51 0.00 0.00 54.79 52.85 1crf n ASP 40 Cb 0.63 0.57 -0.12 0.00 2.34 0.00 0.00 41.12 44.54 1crf n ASP 40 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1crf s VAL 41 N -2.35 3.72 -0.30 5.18 0.11 -1.26 -4.88 120.40 120.63 1crf s VAL 41 Ca -0.11 -0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 58.48 1crf s VAL 41 Cb 0.05 -2.59 0.19 0.00 -1.53 0.00 0.00 36.38 32.50 1crf s VAL 41 CO 0.54 0.53 0.69 0.00 -3.33 0.00 0.00 175.10 173.53 1crf n PRO 43 N 5.42 0.41 -3.76 0.00 -0.04 -1.26 -4.70 135.00 131.06 1crf n PRO 43 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1crf n PRO 43 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1crf n PRO 43 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1crf s LYS 44 N -1.72 0.53 0.12 0.54 -2.85 -1.26 -4.46 119.74 110.64 1crf s LYS 44 Ca 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.13 1crf s LYS 44 Cb 0.00 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 1crf s LYS 44 CO 0.00 -0.11 0.00 0.27 0.10 0.00 0.00 175.35 175.61 1crf n ASN 45 N 2.12 0.17 0.00 0.03 0.23 -1.26 -4.89 115.26 111.65 1crf n ASN 45 Ca -0.17 0.20 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1crf n ASN 45 Cb 0.57 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 1crf n ASN 45 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1crf n SER 46 N -3.04 0.00 0.00 0.53 2.88 -1.19 -4.92 113.62 107.88 1crf n SER 46 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1crf n SER 46 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1crf n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1crf n ALA 47 N 0.30 0.00 0.00 -1.46 0.00 -1.26 -3.91 120.51 114.18 1crf n ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1crf n ALA 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1crf n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1crf n LEU 48 N 0.00 0.06 -3.77 0.00 4.77 -1.26 -4.89 117.00 111.91 1crf n LEU 48 Ca 0.00 0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 1crf n LEU 48 Cb 0.00 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 40.93 1crf n LEU 48 CO 0.00 -0.15 -0.34 0.54 -1.33 0.00 0.00 177.39 176.11 1crf s VAL 49 N -2.00 0.98 0.26 4.08 0.11 -1.25 -3.04 120.40 119.54 1crf s VAL 49 Ca 0.00 -1.35 -0.29 0.00 -2.93 0.00 0.00 61.98 57.41 1crf s VAL 49 Cb 0.00 -1.67 -0.09 0.00 -1.53 0.00 0.00 36.38 33.09 1crf s VAL 49 CO 0.00 -0.57 0.95 -1.59 -3.33 0.00 0.00 175.10 170.56 1crf s LYS 50 N 1.58 4.79 -0.20 1.54 -2.85 0.60 -3.19 119.74 122.02 1crf s LYS 50 Ca 0.07 1.48 -0.03 0.00 -1.00 0.00 0.00 55.97 56.48 1crf s LYS 50 Cb -0.17 -3.18 -0.01 0.00 -2.06 0.00 0.00 37.83 32.41 1crf s LYS 50 CO -0.20 0.45 -0.05 0.71 0.10 0.00 0.00 175.35 176.36 1crf s TYR 51 N -1.27 2.96 -0.05 1.78 1.51 -1.26 -1.88 117.35 119.13 1crf s TYR 51 Ca 0.43 -0.74 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1crf s TYR 51 Cb -0.25 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.57 1crf s TYR 51 CO 0.31 -0.39 -0.08 0.54 -1.11 0.00 0.00 175.55 174.82 1crf s VAL 52 N 1.10 0.81 -0.26 0.71 0.11 -0.60 -4.27 120.40 118.00 1crf s VAL 52 Ca 0.01 -0.29 -0.11 0.00 -2.93 0.00 0.00 61.98 58.66 1crf s VAL 52 Cb -0.15 -0.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1crf s VAL 52 CO -0.00 0.28 0.20 0.00 -3.33 0.00 0.00 175.10 172.26 1crf n ASN 55 N -0.93 0.00 -3.24 0.00 4.05 -1.19 -1.79 115.26 112.16 1crf n ASN 55 Ca 0.08 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.08 1crf n ASN 55 Cb 0.53 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.51 1crf n ASN 55 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1crf s THR 56 N 0.00 -0.80 0.00 -0.44 -4.23 -1.25 -4.53 115.64 104.39 1crf s THR 56 Ca 0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1crf s THR 56 Cb 0.00 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.87 1crf s THR 56 CO 0.00 -0.13 0.00 -0.90 -0.54 0.00 0.00 174.62 173.05 1crf n ASP 57 N 5.39 0.00 0.33 3.99 5.68 -1.26 -4.92 116.55 125.76 1crf n ASP 57 Ca 0.01 0.00 0.22 0.00 -0.50 0.00 0.00 54.79 54.52 1crf n ASP 57 Cb 0.51 0.00 1.17 0.00 -1.14 0.00 0.00 41.12 41.66 1crf n ASP 57 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1crf h ARG 58 N 0.00 0.00 -5.06 0.11 9.65 -1.99 -3.42 114.38 113.68 1crf h ARG 58 Ca 0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.53 1crf h ARG 58 Cb 0.00 0.00 -0.20 0.00 -1.39 0.00 0.00 29.97 28.38 1crf h ARG 58 CO 0.00 0.00 -0.76 0.00 2.80 0.00 0.00 179.97 182.02