#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 0.59 0.41 3.23 -2.85 -1.26 -1.60 119.74 118.25 2crs s LYS 2 Ca 0.00 0.97 0.04 0.00 -1.00 0.00 0.00 55.97 55.98 2crs s LYS 2 Cb 0.00 0.13 -0.02 0.00 -2.06 0.00 0.00 37.83 35.87 2crs s LYS 2 CO 0.00 -0.14 0.14 0.00 0.10 0.00 0.00 175.35 175.45 2crs s ASN 4 N -3.60 6.40 0.22 0.00 2.47 -1.26 -0.92 114.94 118.25 2crs s ASN 4 Ca 0.24 0.37 0.09 0.00 0.42 0.00 0.00 52.86 53.98 2crs s ASN 4 Cb 0.02 -2.01 -0.04 0.00 -1.45 0.00 0.00 41.25 37.77 2crs s ASN 4 CO 0.15 0.19 -0.05 -0.75 -3.72 0.00 0.00 177.10 172.92 2crs s LYS 5 N -2.26 2.18 0.34 0.43 2.20 -0.84 -4.68 119.74 117.10 2crs s LYS 5 Ca 0.32 -1.34 0.16 0.00 -0.36 0.00 0.00 55.97 54.76 2crs s LYS 5 Cb -0.13 -2.16 0.55 0.00 -1.51 0.00 0.00 37.83 34.58 2crs s LYS 5 CO 0.23 0.40 1.68 1.25 -0.36 0.00 0.00 175.35 178.55 2crs h LEU 6 N 2.42 0.00 -9.32 5.43 6.46 -1.89 -3.45 115.31 114.96 2crs h LEU 6 Ca -0.45 0.00 -0.57 0.00 -0.12 0.00 0.00 57.88 56.73 2crs h LEU 6 Cb 1.23 0.00 0.19 0.00 -0.73 0.00 0.00 40.66 41.35 2crs h LEU 6 CO 0.58 0.45 -0.90 0.52 -0.62 0.00 0.00 178.44 178.46 2crs n VAL 7 N -3.57 0.90 -1.88 1.05 0.31 -1.26 -4.71 118.33 109.16 2crs n VAL 7 Ca -0.00 -0.45 -0.40 0.00 -0.01 0.00 0.00 64.34 63.48 2crs n VAL 7 Cb 0.56 -0.36 -0.03 0.00 -0.91 0.00 0.00 33.84 33.10 2crs n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2crs n PRO 8 N 0.59 2.36 0.00 5.55 -0.04 -1.26 -4.46 135.00 137.75 2crs n PRO 8 Ca 0.07 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.97 2crs n PRO 8 Cb 0.50 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 2crs n PRO 8 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2crs n LEU 9 N 8.72 0.00 0.00 1.53 7.94 -1.26 -5.17 117.00 128.75 2crs n LEU 9 Ca 0.49 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 2crs n LEU 9 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2crs n LEU 9 CO 0.86 0.00 0.00 0.49 -1.11 0.00 0.00 177.39 177.63 2crs n PHE 10 N 0.00 0.00 -4.38 1.96 3.72 -1.26 -5.08 117.46 112.42 2crs n PHE 10 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 2crs n PHE 10 Cb 0.00 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 2crs n PHE 10 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2crs s TYR 11 N 2.00 2.15 0.30 1.38 -0.85 -1.26 -1.99 117.35 119.08 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 -1.11 -0.05 0.00 0.38 0.00 0.00 41.96 41.18 2crs s TYR 11 CO 0.00 0.39 -0.06 0.21 -1.52 0.00 0.00 175.55 174.57 2crs s LYS 12 N -2.43 2.01 0.13 -3.49 2.36 -0.10 -4.92 119.74 113.30 2crs s LYS 12 Ca 0.16 -1.67 0.09 0.00 -2.55 0.00 0.00 55.97 52.00 2crs s LYS 12 Cb -0.08 -1.94 -0.04 0.00 -1.05 0.00 0.00 37.83 34.72 2crs s LYS 12 CO 0.08 0.26 -0.14 -0.08 1.55 0.00 0.00 175.35 177.02 2crs s THR 13 N -2.46 3.03 -0.40 3.43 -1.32 -1.26 -1.63 115.64 115.03 2crs s THR 13 Ca 0.32 -1.51 0.10 0.00 -1.21 0.00 0.00 61.69 59.40 2crs s THR 13 Cb -0.03 -2.43 0.35 0.00 -1.51 0.00 0.00 72.50 68.87 2crs s THR 13 CO 0.18 0.04 0.86 0.00 -2.21 0.00 0.00 174.62 173.49 2crs h PRO 15 N 2.99 0.61 0.00 0.00 0.13 -1.76 -2.27 132.00 131.69 2crs h PRO 15 Ca 0.03 -0.85 -0.20 0.00 -0.87 0.00 0.00 66.00 64.11 2crs h PRO 15 Cb 1.02 0.29 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 2crs h PRO 15 CO 0.38 1.39 -1.75 0.00 -0.23 0.00 0.00 178.00 177.80 2crs n ALA 16 N -2.69 1.73 0.30 -0.56 0.00 -1.26 -4.69 120.51 113.34 2crs n ALA 16 Ca -0.14 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 2crs n ALA 16 Cb 1.00 0.09 -0.06 0.00 0.00 0.00 0.00 19.45 20.48 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 1.66 -0.85 0.00 0.00 0.00 -1.90 -3.47 103.07 98.51 2crs h GLY 17 Ca -0.29 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2crs h GLY 17 CO -0.01 -0.31 0.00 0.28 0.00 0.00 0.00 176.54 176.50 2crs n LYS 18 N -5.20 1.31 0.00 4.80 4.76 -1.19 -4.94 118.16 117.70 2crs n LYS 18 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2crs n LYS 18 Cb 0.32 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 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 0.00 0.00 -4.88 4.39 6.94 -0.86 -4.37 115.26 116.47 2crs n ASN 19 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 54.58 54.29 2crs n ASN 19 Cb 0.00 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2crs n ASN 19 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2crs n LEU 20 N -0.40 0.00 -3.96 -4.53 4.32 -0.65 -4.55 117.00 107.23 2crs n LEU 20 Ca 0.00 -2.95 -0.31 0.00 -0.02 0.00 0.00 56.01 52.73 2crs n LEU 20 Cb 0.00 -0.01 -0.15 0.00 -1.62 0.00 0.00 43.42 41.64 2crs n LEU 20 CO 0.00 -0.58 -0.41 0.00 -1.22 0.00 0.00 177.39 175.17 2crs s TYR 22 N 1.30 3.31 0.16 0.00 1.13 0.46 -1.07 117.35 122.65 2crs s TYR 22 Ca -0.03 0.03 0.09 0.00 -1.41 0.00 0.00 57.07 55.75 2crs s TYR 22 Cb -0.19 -1.57 -0.04 0.00 -1.10 0.00 0.00 41.96 39.06 2crs s TYR 22 CO -0.08 0.51 -0.19 0.21 -2.51 0.00 0.00 175.55 173.49 2crs s LYS 23 N -3.29 1.30 -0.29 -3.49 2.20 -0.21 -0.85 119.74 115.11 2crs s LYS 23 Ca 0.33 -1.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.53 2crs s LYS 23 Cb -0.10 -1.41 0.09 0.00 -1.51 0.00 0.00 37.83 34.89 2crs s LYS 23 CO 0.26 0.29 0.05 -1.64 -0.36 0.00 0.00 175.35 173.96 2crs s MET 24 N -2.72 1.03 -0.23 4.03 -1.94 0.59 -1.54 119.30 118.52 2crs s MET 24 Ca 0.16 -1.16 -0.05 0.00 -1.71 0.00 0.00 55.69 52.93 2crs s MET 24 Cb -0.06 -2.36 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 2crs s MET 24 CO 0.07 -0.87 -0.01 -0.06 -0.01 0.00 0.00 175.02 174.14 2crs s PHE 25 N 1.45 3.00 -0.28 -0.03 0.08 -0.59 0.14 117.98 121.76 2crs s PHE 25 Ca 0.06 -0.81 -0.13 0.00 0.12 0.00 0.00 56.93 56.18 2crs s PHE 25 Cb -0.18 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.08 2crs s PHE 25 CO -0.17 -0.50 0.26 -1.64 -0.10 0.00 0.00 175.22 173.08 2crs s MET 26 N 1.51 3.98 -0.65 0.44 -1.94 0.39 -1.54 119.30 121.50 2crs s MET 26 Ca 0.06 -0.17 0.02 0.00 -1.71 0.00 0.00 55.69 53.89 2crs s MET 26 Cb -0.15 -3.66 0.38 0.00 2.01 0.00 0.00 34.83 33.42 2crs s MET 26 CO -0.01 -0.22 1.48 0.28 -0.01 0.00 0.00 175.02 176.54 2crs n VAL 27 N 5.07 3.18 -0.46 -6.03 0.31 0.05 -1.85 118.33 118.60 2crs n VAL 27 Ca -0.12 -4.86 0.42 0.00 -0.01 0.00 0.00 64.34 59.76 2crs n VAL 27 Cb 0.51 -1.30 0.71 0.00 -0.91 0.00 0.00 33.84 32.86 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 2.90 3.40 0.00 3.52 0.00 -1.91 -3.40 119.26 123.77 2crs h ALA 28 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2crs h ALA 28 Cb 0.51 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2crs h ALA 28 CO 1.08 -1.96 0.00 0.25 0.00 0.00 0.00 179.25 178.62 2crs n THR 29 N -3.81 0.00 0.00 0.00 -2.24 -1.26 -5.07 114.28 101.90 2crs n THR 29 Ca 0.33 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 2crs n THR 29 Cb 1.66 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 2crs n THR 29 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2crs n PRO 30 N -3.05 0.00 0.00 -0.78 -0.04 -1.26 -5.08 135.00 124.78 2crs n PRO 30 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2crs n PRO 30 Cb 0.00 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 2crs n PRO 30 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2crs n LYS 31 N 0.00 0.00 -3.87 0.54 0.00 -1.26 -4.85 118.16 108.71 2crs n LYS 31 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2crs n LYS 31 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 34.90 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 0.00 0.03 0.90 0.58 1.01 -0.77 -5.02 120.40 117.13 2crs s VAL 32 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 2crs s VAL 32 Cb 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 36.38 36.35 2crs s VAL 32 CO 0.00 -0.13 1.12 -2.16 0.00 0.00 0.00 175.10 173.93 2crs s PRO 33 N -0.38 1.24 0.38 2.72 0.04 -1.26 -0.46 135.00 137.28 2crs s PRO 33 Ca -0.04 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.42 2crs s PRO 33 Cb -0.03 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2crs s PRO 33 CO 0.00 -2.16 0.00 0.28 0.04 0.00 0.00 177.00 175.17 2crs n VAL 34 N -3.76 0.00 -3.65 -0.36 0.31 0.38 -4.59 118.33 106.66 2crs n VAL 34 Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.23 2crs n VAL 34 Cb 0.58 -0.27 -0.15 0.00 -0.91 0.00 0.00 33.84 33.09 2crs n VAL 34 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2crs s LYS 35 N -1.97 0.07 -0.25 5.55 2.47 -0.94 -4.92 119.74 119.75 2crs s LYS 35 Ca 0.00 0.57 -0.00 0.00 -1.56 0.00 0.00 55.97 54.97 2crs s LYS 35 Cb 0.00 -0.32 0.07 0.00 -1.46 0.00 0.00 37.83 36.12 2crs s LYS 35 CO 0.00 -0.34 0.01 -0.98 0.16 0.00 0.00 175.35 174.21 2crs s ARG 36 N 2.32 1.13 0.00 4.03 1.70 -1.26 0.22 118.95 127.09 2crs s ARG 36 Ca 0.03 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.37 2crs s ARG 36 Cb -0.12 -2.36 0.00 0.00 -0.57 0.00 0.00 34.95 31.90 2crs s ARG 36 CO -0.07 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 173.83 2crs n GLY 37 N 4.79 4.24 3.95 3.88 0.00 -0.03 -4.13 105.19 117.90 2crs n GLY 37 Ca -0.08 -0.39 -0.25 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 -1.81 0.00 -0.58 0.00 -1.16 -0.49 -4.62 121.20 112.54 2crs s ILE 39 Ca 0.35 -0.00 0.25 0.00 -0.51 0.00 0.00 60.65 60.73 2crs s ILE 39 Cb -0.11 -1.00 0.27 0.00 0.61 0.00 0.00 42.46 42.23 2crs s ILE 39 CO 0.29 -0.00 1.63 -0.78 -2.81 0.00 0.00 174.94 173.26 2crs h ASP 40 N 4.11 0.00 -4.68 4.50 3.58 -1.91 -1.73 116.42 120.28 2crs h ASP 40 Ca -0.28 -0.02 0.34 0.00 0.42 0.00 0.00 57.03 57.49 2crs h ASP 40 Cb 1.15 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.02 2crs h ASP 40 CO 0.20 0.01 0.96 0.54 -2.88 0.00 0.00 179.24 178.07 2crs s VAL 41 N -3.16 0.00 -0.62 2.25 0.11 -1.26 -4.84 120.40 112.87 2crs s VAL 41 Ca 0.08 -0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 2crs s VAL 41 Cb 0.09 -1.33 0.25 0.00 -1.53 0.00 0.00 36.38 33.86 2crs s VAL 41 CO 0.65 0.00 0.73 0.00 -3.33 0.00 0.00 175.10 173.14 2crs n PRO 43 N 0.92 3.34 -2.45 0.00 -0.04 -1.26 -4.85 135.00 130.66 2crs n PRO 43 Ca 0.29 -2.41 -0.04 0.00 -0.04 0.00 0.00 63.50 61.30 2crs n PRO 43 Cb 0.42 -3.01 0.01 0.00 -0.04 0.00 0.00 33.50 30.88 2crs n PRO 43 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2crs n LYS 44 N 4.67 0.54 0.00 0.54 2.85 -1.26 -5.18 118.16 120.31 2crs n LYS 44 Ca 0.66 -1.07 0.00 0.00 -1.05 0.00 0.00 58.31 56.86 2crs n LYS 44 Cb 0.30 1.35 0.00 0.00 -0.65 0.00 0.00 35.03 36.03 2crs n LYS 44 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2crs n SER 45 N -1.22 0.00 0.00 -5.58 3.41 -1.26 -4.98 113.62 103.99 2crs n SER 45 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2crs n SER 45 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2crs n SER 45 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2crs n SER 46 N 0.00 0.00 -0.37 4.04 3.41 -1.26 -5.00 113.62 114.43 2crs n SER 46 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2crs n SER 46 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2crs n SER 46 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2crs n LEU 47 N 0.00 0.00 0.00 1.04 7.94 -1.26 -4.94 117.00 119.78 2crs n LEU 47 Ca 0.00 -0.84 0.00 0.00 -1.11 0.00 0.00 56.01 54.06 2crs n LEU 47 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2crs n LEU 47 CO 0.00 0.71 0.00 -0.11 -1.11 0.00 0.00 177.39 176.88 2crs n LEU 48 N 0.00 0.00 -3.76 -1.96 7.94 -1.26 -4.91 117.00 113.05 2crs n LEU 48 Ca 0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.63 2crs n LEU 48 Cb 0.54 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.32 2crs n LEU 48 CO 0.00 0.00 -0.38 0.54 -1.11 0.00 0.00 177.39 176.44 2crs s VAL 49 N -1.00 0.61 0.18 1.96 0.11 -1.26 -0.77 120.40 120.22 2crs s VAL 49 Ca 0.00 -0.52 0.01 0.00 -2.93 0.00 0.00 61.98 58.54 2crs s VAL 49 Cb 0.00 -1.04 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2crs s VAL 49 CO 0.00 -0.12 0.12 2.29 -3.33 0.00 0.00 175.10 174.05 2crs n LYS 50 N 5.03 1.27 -4.06 1.54 2.85 -0.59 -4.31 118.16 119.90 2crs n LYS 50 Ca -0.09 -1.14 -0.14 0.00 -1.05 0.00 0.00 58.31 55.89 2crs n LYS 50 Cb 0.47 0.15 -0.04 0.00 -0.65 0.00 0.00 35.03 34.97 2crs n LYS 50 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 2crs s TYR 51 N -0.99 0.95 -0.27 5.58 -0.85 -1.25 -1.54 117.35 118.98 2crs s TYR 51 Ca 0.09 -1.23 -0.02 0.00 -0.52 0.00 0.00 57.07 55.39 2crs s TYR 51 Cb -0.01 0.01 0.12 0.00 0.38 0.00 0.00 41.96 42.46 2crs s TYR 51 CO 0.06 -1.17 0.26 0.08 -1.52 0.00 0.00 175.55 173.26 2crs s VAL 52 N -3.03 -0.35 -0.09 -3.49 1.01 -0.59 -4.84 120.40 109.02 2crs s VAL 52 Ca 0.29 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 2crs s VAL 52 Cb -0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2crs s VAL 52 CO 0.19 -0.41 0.14 0.00 0.00 0.00 0.00 175.10 175.01 2crs n ASN 55 N 1.52 2.73 0.00 0.00 4.05 -1.26 -1.78 115.26 120.52 2crs n ASN 55 Ca -0.22 -3.28 0.00 0.00 0.45 0.00 0.00 54.58 51.54 2crs n ASN 55 Cb 0.55 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.93 2crs n ASN 55 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 2crs n THR 56 N 0.61 0.00 0.00 -0.44 -1.04 -1.26 -5.11 114.28 107.04 2crs n THR 56 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 2crs n THR 56 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 -0.87 0.00 -0.70 8.00 2.03 -1.26 -4.93 116.55 118.81 2crs n ASP 57 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2crs n ASP 57 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2crs n ASP 57 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2crs n ARG 58 N -0.08 -1.73 -0.15 -0.67 5.12 -1.26 -4.76 116.66 113.13 2crs n ARG 58 Ca 0.00 0.82 0.10 0.00 -1.93 0.00 0.00 57.85 56.84 2crs n ARG 58 Cb 0.00 -5.24 0.18 0.00 -1.16 0.00 0.00 32.46 26.23 2crs n ARG 58 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70