#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crs s LYS 2 N 0.00 3.04 0.00 1.47 -2.85 -1.26 -1.70 119.74 118.44 2crs s LYS 2 Ca 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2crs s LYS 2 Cb 0.00 -2.81 0.00 0.00 -2.06 0.00 0.00 37.83 32.96 2crs s LYS 2 CO 0.00 0.67 0.00 0.00 0.10 0.00 0.00 175.35 176.12 2crs s ASN 4 N 0.23 6.38 0.46 0.00 0.01 -0.48 -1.02 114.94 120.51 2crs s ASN 4 Ca 0.00 0.33 0.03 0.00 -0.71 0.00 0.00 52.86 52.51 2crs s ASN 4 Cb 0.00 -1.99 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 2crs s ASN 4 CO 0.00 0.17 0.03 -0.54 -1.51 0.00 0.00 177.10 175.25 2crs s LYS 5 N -2.41 2.06 -0.14 -0.60 1.02 -0.76 -4.37 119.74 114.55 2crs s LYS 5 Ca 0.34 -2.27 -0.07 0.00 0.02 0.00 0.00 55.97 54.00 2crs s LYS 5 Cb -0.13 -1.34 -0.25 0.00 -0.52 0.00 0.00 37.83 35.60 2crs s LYS 5 CO 0.26 -0.31 0.29 -0.11 -0.92 0.00 0.00 175.35 174.56 2crs n LEU 6 N -1.10 2.64 -4.07 3.17 -0.00 -1.23 -4.86 117.00 111.54 2crs n LEU 6 Ca -0.13 0.18 -0.35 0.00 -0.00 0.00 0.00 56.01 55.72 2crs n LEU 6 Cb 0.67 -1.09 0.08 0.00 -0.00 0.00 0.00 43.42 43.07 2crs n LEU 6 CO 0.40 0.84 -1.54 1.33 -0.00 0.00 0.00 177.39 178.42 2crs n VAL 7 N -3.51 0.00 -2.28 1.96 0.24 -1.26 -4.69 118.33 108.80 2crs n VAL 7 Ca -0.34 -0.09 -0.34 0.00 -2.04 0.00 0.00 64.34 61.53 2crs n VAL 7 Cb 1.03 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 33.16 2crs n VAL 7 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2crs s PRO 8 N -2.47 3.00 0.00 7.34 0.04 -1.26 -4.70 135.00 136.95 2crs s PRO 8 Ca 0.41 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.94 2crs s PRO 8 Cb 0.03 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.54 2crs s PRO 8 CO 0.63 -2.78 0.00 1.47 0.04 0.00 0.00 177.00 176.35 2crs n LEU 9 N 11.59 0.00 0.00 -3.56 -0.00 -1.26 -5.13 117.00 118.63 2crs n LEU 9 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 2crs n LEU 9 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2crs n LEU 9 CO 0.64 0.00 0.00 2.22 -0.00 0.00 0.00 177.39 180.25 2crs n PHE 10 N 0.00 0.00 -4.52 1.47 1.16 -1.26 -4.99 117.46 109.32 2crs n PHE 10 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.33 2crs n PHE 10 Cb 0.00 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 37.73 2crs n PHE 10 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 2crs s TYR 11 N 0.00 1.82 0.19 2.97 -0.85 -1.25 -1.83 117.35 118.40 2crs s TYR 11 Ca 0.00 -0.39 0.10 0.00 -0.52 0.00 0.00 57.07 56.26 2crs s TYR 11 Cb 0.00 -1.05 -0.04 0.00 0.38 0.00 0.00 41.96 41.24 2crs s TYR 11 CO 0.00 0.13 -0.16 0.15 -1.52 0.00 0.00 175.55 174.15 2crs s LYS 12 N -1.44 1.82 -0.20 -3.49 1.02 -0.19 -4.87 119.74 112.39 2crs s LYS 12 Ca 0.07 -1.41 -0.08 0.00 0.02 0.00 0.00 55.97 54.58 2crs s LYS 12 Cb -0.09 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 2crs s LYS 12 CO 0.03 0.41 0.08 0.99 -0.92 0.00 0.00 175.35 175.94 2crs s THR 13 N -1.74 4.83 -0.55 2.17 2.01 -1.26 -1.63 115.64 119.47 2crs s THR 13 Ca 0.23 -0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.28 2crs s THR 13 Cb -0.08 -3.20 0.23 0.00 0.01 0.00 0.00 72.50 69.46 2crs s THR 13 CO 0.13 0.43 0.59 0.00 -0.69 0.00 0.00 174.62 175.08 2crs n PRO 15 N 1.45 0.00 0.02 0.00 -0.04 -1.26 -3.09 135.00 132.08 2crs n PRO 15 Ca 0.26 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.82 2crs n PRO 15 Cb 0.44 -0.16 0.42 0.00 -0.04 0.00 0.00 33.50 34.17 2crs n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2crs n ALA 16 N -2.09 1.88 -0.06 0.55 0.00 -1.26 -3.13 120.51 116.41 2crs n ALA 16 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 2crs n ALA 16 Cb 0.00 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 17.99 2crs n ALA 16 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2crs h GLY 17 N 3.28 0.04 0.00 0.00 0.00 -1.91 -3.48 103.07 101.00 2crs h GLY 17 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2crs h GLY 17 CO 0.00 0.09 0.00 0.28 0.00 0.00 0.00 176.54 176.91 2crs n LYS 18 N -4.54 0.92 0.00 4.80 4.76 -1.18 -4.82 118.16 118.10 2crs n LYS 18 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 2crs n LYS 18 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 2crs n LYS 18 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2crs n ASN 19 N -1.29 2.42 -3.05 4.39 6.94 -0.96 -4.32 115.26 119.39 2crs n ASN 19 Ca 0.00 -0.03 -0.10 0.00 -0.02 0.00 0.00 54.58 54.43 2crs n ASN 19 Cb 0.00 0.54 0.01 0.00 -2.36 0.00 0.00 39.78 37.96 2crs n ASN 19 CO 0.00 0.00 0.00 -1.48 -1.03 0.00 0.00 177.26 174.75 2crs s LEU 20 N -1.56 0.23 -0.08 -4.53 2.34 -0.78 -4.47 118.68 109.83 2crs s LEU 20 Ca 0.00 -1.20 -0.06 0.00 0.06 0.00 0.00 54.13 52.93 2crs s LEU 20 Cb 0.00 2.52 -0.04 0.00 -0.56 0.00 0.00 46.19 48.11 2crs s LEU 20 CO 0.00 -1.58 0.17 0.00 -1.06 0.00 0.00 176.35 173.88 2crs s TYR 22 N -1.13 2.37 0.21 0.00 -0.85 -0.53 -1.08 117.35 116.34 2crs s TYR 22 Ca 0.19 -0.35 0.08 0.00 -0.52 0.00 0.00 57.07 56.47 2crs s TYR 22 Cb -0.12 -1.25 -0.05 0.00 0.38 0.00 0.00 41.96 40.92 2crs s TYR 22 CO 0.09 0.39 -0.14 0.21 -1.52 0.00 0.00 175.55 174.58 2crs s LYS 23 N -2.23 1.33 -0.24 -3.49 2.20 0.43 -1.62 119.74 116.13 2crs s LYS 23 Ca 0.17 -1.60 -0.03 0.00 -0.36 0.00 0.00 55.97 54.14 2crs s LYS 23 Cb -0.10 -1.11 0.10 0.00 -1.51 0.00 0.00 37.83 35.21 2crs s LYS 23 CO 0.08 0.17 0.18 -1.64 -0.36 0.00 0.00 175.35 173.78 2crs s MET 24 N -3.65 0.19 0.50 4.03 -1.94 0.24 -1.72 119.30 116.95 2crs s MET 24 Ca 0.23 -0.14 0.09 0.00 -1.71 0.00 0.00 55.69 54.16 2crs s MET 24 Cb -0.00 -1.22 0.05 0.00 2.01 0.00 0.00 34.83 35.66 2crs s MET 24 CO 0.07 -0.84 0.68 0.12 -0.01 0.00 0.00 175.02 175.05 2crs s PHE 25 N 2.23 2.13 -0.10 -0.03 2.19 -0.34 -1.12 117.98 122.94 2crs s PHE 25 Ca 0.07 -0.55 -0.01 0.00 0.33 0.00 0.00 56.93 56.77 2crs s PHE 25 Cb -0.15 -2.31 0.03 0.00 -1.31 0.00 0.00 43.02 39.27 2crs s PHE 25 CO -0.23 -0.79 -0.02 1.41 1.83 0.00 0.00 175.22 177.42 2crs s MET 26 N -4.52 0.90 -0.12 10.12 -2.45 0.81 -1.59 119.30 122.46 2crs s MET 26 Ca 0.58 -0.05 0.14 0.00 -1.25 0.00 0.00 55.69 55.12 2crs s MET 26 Cb -0.08 -1.26 0.38 0.00 1.25 0.00 0.00 34.83 35.12 2crs s MET 26 CO 0.36 -0.32 1.29 0.28 1.05 0.00 0.00 175.02 177.68 2crs n VAL 27 N 5.07 1.83 -0.29 10.11 0.31 -1.26 -1.65 118.33 132.46 2crs n VAL 27 Ca -0.09 -1.72 0.34 0.00 -0.01 0.00 0.00 64.34 62.86 2crs n VAL 27 Cb 0.50 -0.04 0.72 0.00 -0.91 0.00 0.00 33.84 34.11 2crs n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2crs h ALA 28 N 1.27 3.03 0.00 3.52 0.00 -1.90 -3.42 119.26 121.76 2crs h ALA 28 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2crs h ALA 28 Cb 1.12 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2crs h ALA 28 CO 0.11 -1.48 0.00 2.41 0.00 0.00 0.00 179.25 180.29 2crs n THR 29 N -3.97 0.00 -2.65 0.00 -1.04 -1.26 -5.04 114.28 100.33 2crs n THR 29 Ca 0.24 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.82 2crs n THR 29 Cb 1.27 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.77 2crs n THR 29 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2crs s PRO 30 N 0.00 3.98 -0.95 -2.82 0.04 -1.26 -4.93 135.00 129.06 2crs s PRO 30 Ca 0.00 -2.04 -0.26 0.00 0.04 0.00 0.00 61.00 58.74 2crs s PRO 30 Cb 0.00 -5.44 -0.23 0.00 0.04 0.00 0.00 34.50 28.87 2crs s PRO 30 CO 0.00 -2.17 2.55 0.36 0.04 0.00 0.00 177.00 177.79 2crs n LYS 31 N 7.94 0.12 -3.84 4.56 -0.00 -1.24 -4.72 118.16 120.97 2crs n LYS 31 Ca 0.46 -0.03 -0.12 0.00 -0.00 0.00 0.00 58.31 58.62 2crs n LYS 31 Cb 0.46 -1.65 -0.12 0.00 -0.00 0.00 0.00 35.03 33.72 2crs n LYS 31 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2crs s VAL 32 N 7.68 0.02 0.72 0.58 1.01 -0.66 -4.96 120.40 124.79 2crs s VAL 32 Ca 1.30 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 2crs s VAL 32 Cb -1.04 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 35.12 2crs s VAL 32 CO 0.47 -0.08 1.07 -2.16 0.00 0.00 0.00 175.10 174.40 2crs s PRO 33 N -0.22 2.74 0.00 2.72 0.04 -1.26 -0.13 135.00 138.89 2crs s PRO 33 Ca -0.03 0.93 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2crs s PRO 33 Cb -0.02 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2crs s PRO 33 CO 0.00 -1.23 0.00 1.55 0.04 0.00 0.00 177.00 177.36 2crs n VAL 34 N -3.22 0.00 -3.80 -0.36 3.14 -0.28 -4.81 118.33 109.01 2crs n VAL 34 Ca 0.08 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.33 2crs n VAL 34 Cb 0.54 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.20 2crs n VAL 34 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2crs s LYS 35 N -0.99 0.24 -0.27 1.45 1.02 -0.94 -5.00 119.74 115.24 2crs s LYS 35 Ca 0.00 0.29 -0.09 0.00 0.02 0.00 0.00 55.97 56.19 2crs s LYS 35 Cb 0.00 0.11 0.12 0.00 -0.52 0.00 0.00 37.83 37.54 2crs s LYS 35 CO 0.00 -0.03 0.58 -0.98 -0.92 0.00 0.00 175.35 173.99 2crs s ARG 36 N 0.14 0.50 0.00 1.68 1.70 -1.26 0.79 118.95 122.50 2crs s ARG 36 Ca -0.00 1.31 0.00 0.00 -0.47 0.00 0.00 55.73 56.56 2crs s ARG 36 Cb -0.02 0.69 0.00 0.00 -0.57 0.00 0.00 34.95 35.05 2crs s ARG 36 CO 0.00 -0.24 0.00 0.41 -1.08 0.00 0.00 175.30 174.39 2crs n GLY 37 N 5.43 4.20 3.14 3.88 0.00 -0.64 -3.54 105.19 117.67 2crs n GLY 37 Ca -0.10 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 2crs n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crs s ILE 39 N 0.29 0.21 -1.07 0.00 2.07 -0.36 -4.84 121.20 117.50 2crs s ILE 39 Ca -0.11 -1.99 0.20 0.00 -1.41 0.00 0.00 60.65 57.34 2crs s ILE 39 Cb -0.15 -2.47 -0.20 0.00 0.13 0.00 0.00 42.46 39.76 2crs s ILE 39 CO 0.05 -0.07 0.89 -0.67 -1.91 0.00 0.00 174.94 173.23 2crs n ASP 40 N -0.31 1.07 -3.58 4.50 -0.08 -1.26 -1.87 116.55 115.01 2crs n ASP 40 Ca 0.00 -1.03 -0.00 0.00 -1.51 0.00 0.00 54.79 52.24 2crs n ASP 40 Cb 0.66 0.95 -0.04 0.00 2.34 0.00 0.00 41.12 45.03 2crs n ASP 40 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2crs s VAL 41 N -2.88 -0.84 0.28 5.18 -7.23 -1.26 -4.72 120.40 108.93 2crs s VAL 41 Ca 0.09 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.96 2crs s VAL 41 Cb 0.16 -1.00 -0.10 0.00 0.56 0.00 0.00 36.38 36.00 2crs s VAL 41 CO 0.81 0.00 1.18 0.00 -0.31 0.00 0.00 175.10 176.78 2crs s PRO 43 N -1.33 0.19 0.07 0.00 0.04 -1.26 -5.06 135.00 127.65 2crs s PRO 43 Ca 0.47 -0.39 -0.03 0.00 0.04 0.00 0.00 61.00 61.09 2crs s PRO 43 Cb -0.34 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2crs s PRO 43 CO 0.44 -2.72 0.28 -1.59 0.04 0.00 0.00 177.00 173.44 2crs s LYS 44 N -5.83 3.53 -0.15 4.56 -2.85 -1.26 -4.88 119.74 112.86 2crs s LYS 44 Ca 0.74 -0.23 -0.29 0.00 -1.00 0.00 0.00 55.97 55.19 2crs s LYS 44 Cb -0.04 -2.99 -0.02 0.00 -2.06 0.00 0.00 37.83 32.72 2crs s LYS 44 CO 0.54 0.58 1.26 0.45 0.10 0.00 0.00 175.35 178.27 2crs s SER 45 N -2.25 6.96 0.00 0.03 0.15 -1.26 -4.96 113.70 112.36 2crs s SER 45 Ca 0.35 1.70 0.00 0.00 0.70 0.00 0.00 55.95 58.70 2crs s SER 45 Cb -0.13 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2crs s SER 45 CO 0.23 -0.74 0.00 -1.54 1.20 0.00 0.00 173.24 172.39 2crs n SER 46 N 6.46 0.00 -0.34 5.45 3.41 -1.24 -4.93 113.62 122.43 2crs n SER 46 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2crs n SER 46 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2crs n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2crs n LEU 47 N 0.00 0.04 -2.61 1.04 -0.00 -1.26 -4.87 117.00 109.35 2crs n LEU 47 Ca 0.00 -0.73 -0.03 0.00 -0.00 0.00 0.00 56.01 55.25 2crs n LEU 47 Cb 0.00 -0.01 0.12 0.00 -0.00 0.00 0.00 43.42 43.53 2crs n LEU 47 CO 0.00 0.18 0.59 -0.11 -0.00 0.00 0.00 177.39 178.05 2crs n LEU 48 N -0.02 -1.46 0.00 1.47 0.00 -1.26 -4.89 117.00 110.84 2crs n LEU 48 Ca 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 56.01 52.90 2crs n LEU 48 Cb 0.64 0.14 0.00 0.00 0.00 0.00 0.00 43.42 44.20 2crs n LEU 48 CO 0.00 1.70 0.00 0.55 0.00 0.00 0.00 177.39 179.64 2crs n VAL 49 N -1.27 0.00 -3.04 1.96 3.14 -1.26 -4.55 118.33 113.31 2crs n VAL 49 Ca -0.14 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.05 2crs n VAL 49 Cb 0.85 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.66 2crs n VAL 49 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2crs s LYS 50 N 0.00 2.58 0.04 1.45 3.01 -0.62 -3.71 119.74 122.49 2crs s LYS 50 Ca 0.00 -1.44 0.02 0.00 -1.01 0.00 0.00 55.97 53.54 2crs s LYS 50 Cb 0.00 -2.70 -0.02 0.00 -1.01 0.00 0.00 37.83 34.10 2crs s LYS 50 CO 0.00 -0.55 -0.07 1.52 0.51 0.00 0.00 175.35 176.76 2crs s TYR 51 N -2.50 0.60 -0.14 3.18 -0.85 -1.26 -1.19 117.35 115.19 2crs s TYR 51 Ca 0.58 -0.50 -0.05 0.00 -0.52 0.00 0.00 57.07 56.58 2crs s TYR 51 Cb -0.08 -0.37 0.07 0.00 0.38 0.00 0.00 41.96 41.96 2crs s TYR 51 CO 0.36 -0.10 0.29 0.08 -1.52 0.00 0.00 175.55 174.65 2crs s VAL 52 N -1.38 -0.39 0.35 -3.49 1.01 -0.70 -4.88 120.40 110.92 2crs s VAL 52 Ca -0.11 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.20 2crs s VAL 52 Cb -0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2crs s VAL 52 CO 0.00 0.10 0.18 0.00 0.00 0.00 0.00 175.10 175.38 2crs n ASN 55 N 0.47 0.59 -0.00 0.00 5.15 -1.26 -1.69 115.26 118.52 2crs n ASN 55 Ca -0.18 -2.30 0.02 0.00 -0.60 0.00 0.00 54.58 51.52 2crs n ASN 55 Cb 0.60 -0.11 -0.03 0.00 -0.53 0.00 0.00 39.78 39.71 2crs n ASN 55 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2crs n THR 56 N -0.62 0.00 -0.63 -0.44 -1.04 -1.26 -5.05 114.28 105.24 2crs n THR 56 Ca 0.02 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 2crs n THR 56 Cb 0.83 0.96 0.00 0.00 -1.82 0.00 0.00 70.33 70.29 2crs n THR 56 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2crs n ASP 57 N -1.16 -2.23 -0.14 8.00 -0.08 -1.26 -4.71 116.55 114.98 2crs n ASP 57 Ca 0.01 0.05 -0.02 0.00 -1.51 0.00 0.00 54.79 53.32 2crs n ASP 57 Cb 0.08 -1.13 -0.01 0.00 2.34 0.00 0.00 41.12 42.40 2crs n ASP 57 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2crs n ARG 58 N 0.06 -0.67 0.00 -0.67 0.63 -1.23 -4.84 116.66 109.94 2crs n ARG 58 Ca 0.00 0.32 0.10 0.00 -0.92 0.00 0.00 57.85 57.34 2crs n ARG 58 Cb 0.00 -3.92 0.03 0.00 0.45 0.00 0.00 32.46 29.02 2crs n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12