#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 4.15 0.49 3.23 1.02 -1.26 -1.53 119.74 125.84 2crs s LYS 2 Ca 0.00 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 55.78 2crs s LYS 2 Cb 0.00 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2crs s LYS 2 CO 0.00 0.26 0.00 0.00 -0.92 0.00 0.00 175.35 174.69 2crs s ASN 4 N -3.84 4.50 0.00 0.00 -0.87 -1.24 -1.49 114.94 112.00 2crs s ASN 4 Ca 0.12 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.11 2crs s ASN 4 Cb 0.03 -1.76 0.00 0.00 -0.02 0.00 0.00 41.25 39.50 2crs s ASN 4 CO 0.06 0.04 0.00 0.29 -2.57 0.00 0.00 177.10 174.93 2crs n LYS 5 N 4.38 2.41 0.00 -0.60 5.02 0.67 -4.84 118.16 125.20 2crs n LYS 5 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2crs n LYS 5 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2crs n LYS 5 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2crs n LEU 6 N 0.00 0.99 -0.00 -0.35 0.00 -1.26 -4.65 117.00 111.73 2crs n LEU 6 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 56.01 55.80 2crs n LEU 6 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.28 2crs n LEU 6 CO 0.00 0.17 -0.42 0.58 0.00 0.00 0.00 177.39 177.72 2crs h VAL 7 N 0.00 1.03 -2.47 1.96 2.07 -1.94 -3.44 116.25 113.47 2crs h VAL 7 Ca 0.00 -2.38 -0.54 0.00 0.82 0.00 0.00 66.70 64.60 2crs h VAL 7 Cb 0.43 2.70 -0.08 0.00 -1.52 0.00 0.00 31.29 32.83 2crs h VAL 7 CO 0.00 0.68 1.07 -2.16 0.02 0.00 0.00 177.57 177.18 2crs s PRO 8 N -2.46 3.20 0.84 1.57 0.04 -1.26 -4.84 135.00 132.09 2crs s PRO 8 Ca -0.20 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 60.75 2crs s PRO 8 Cb 0.04 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2crs s PRO 8 CO 0.75 -2.12 0.00 1.28 0.04 0.00 0.00 177.00 176.96 2crs n LEU 9 N 9.49 0.00 0.00 -3.56 7.99 -1.26 -3.58 117.00 126.08 2crs n LEU 9 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 2crs n LEU 9 Cb 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 2crs n LEU 9 CO 0.71 0.00 0.00 0.49 -1.51 0.00 0.00 177.39 177.08 2crs n PHE 10 N 0.00 0.00 -4.16 -1.77 3.72 -1.26 -4.85 117.46 109.14 2crs n PHE 10 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2crs n PHE 10 Cb 0.00 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.45 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 -1.00 1.03 0.11 1.38 -0.85 -1.23 -0.24 117.35 116.55 2crs s TYR 11 Ca 0.00 -1.26 -0.17 0.00 -0.52 0.00 0.00 57.07 55.12 2crs s TYR 11 Cb 0.00 -0.41 0.04 0.00 0.38 0.00 0.00 41.96 41.97 2crs s TYR 11 CO 0.00 -0.73 0.41 0.21 -1.52 0.00 0.00 175.55 173.92 2crs s LYS 12 N -4.07 1.05 -0.10 -3.49 2.20 -0.56 -4.75 119.74 110.02 2crs s LYS 12 Ca 0.36 -0.64 -0.05 0.00 -0.36 0.00 0.00 55.97 55.27 2crs s LYS 12 Cb 0.05 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.80 2crs s LYS 12 CO 0.12 -0.40 0.10 -0.08 -0.36 0.00 0.00 175.35 174.73 2crs s THR 13 N -3.58 5.11 -0.43 3.43 -1.32 -1.26 -1.60 115.64 115.99 2crs s THR 13 Ca 0.02 0.03 0.08 0.00 -1.21 0.00 0.00 61.69 60.60 2crs s THR 13 Cb 0.01 -3.22 0.34 0.00 -1.51 0.00 0.00 72.50 68.13 2crs s THR 13 CO -0.10 0.59 1.11 0.00 -2.21 0.00 0.00 174.62 174.00 2crs h PRO 15 N 2.81 0.09 0.00 0.00 0.13 -1.81 -3.20 132.00 130.02 2crs h PRO 15 Ca -0.11 -0.11 -0.26 0.00 -0.87 0.00 0.00 66.00 64.65 2crs h PRO 15 Cb 1.12 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2crs h PRO 15 CO 0.16 0.90 -1.99 0.00 -0.23 0.00 0.00 178.00 176.84 2crs n ALA 16 N -2.42 1.64 0.10 -0.56 0.00 -1.26 -4.63 120.51 113.38 2crs n ALA 16 Ca -0.02 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.46 2crs n ALA 16 Cb 0.81 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 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 2.03 -1.17 0.00 0.00 0.00 -1.91 -3.46 103.07 98.56 2crs h GLY 17 Ca -0.39 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2crs h GLY 17 CO -0.02 -0.33 0.00 0.28 0.00 0.00 0.00 176.54 176.47 2crs n LYS 18 N -4.58 2.21 0.00 4.80 4.76 -1.21 -4.98 118.16 119.16 2crs n LYS 18 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2crs n LYS 18 Cb 0.30 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.49 2crs n LYS 18 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2crs n ASN 19 N 0.00 2.91 -2.82 4.39 4.13 -1.23 -4.60 115.26 118.05 2crs n ASN 19 Ca 0.00 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.11 2crs n ASN 19 Cb 0.00 0.53 -0.06 0.00 -1.54 0.00 0.00 39.78 38.71 2crs n ASN 19 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2crs n LEU 20 N -0.96 0.00 -4.14 3.41 -0.00 -0.92 -4.81 117.00 109.57 2crs n LEU 20 Ca 0.00 -2.58 -0.29 0.00 -0.00 0.00 0.00 56.01 53.13 2crs n LEU 20 Cb 0.05 1.53 -0.17 0.00 -0.00 0.00 0.00 43.42 44.83 2crs n LEU 20 CO 0.00 -0.46 -0.53 0.00 -0.00 0.00 0.00 177.39 176.41 2crs s TYR 22 N 0.52 0.84 0.19 0.00 1.13 -0.05 -0.11 117.35 119.87 2crs s TYR 22 Ca -0.16 -0.24 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 2crs s TYR 22 Cb -0.17 -0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 40.13 2crs s TYR 22 CO 0.06 -0.01 0.33 0.21 -2.51 0.00 0.00 175.55 173.62 2crs s LYS 23 N -0.62 3.45 -0.24 -3.49 2.20 0.28 -1.47 119.74 119.85 2crs s LYS 23 Ca 0.01 -0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 54.98 2crs s LYS 23 Cb -0.05 -2.92 0.08 0.00 -1.51 0.00 0.00 37.83 33.43 2crs s LYS 23 CO 0.00 0.47 0.07 -1.64 -0.36 0.00 0.00 175.35 173.89 2crs s MET 24 N -3.49 0.56 0.14 4.03 -1.94 0.19 -1.88 119.30 116.91 2crs s MET 24 Ca 0.35 -0.61 0.06 0.00 -1.71 0.00 0.00 55.69 53.78 2crs s MET 24 Cb -0.10 -1.90 -0.04 0.00 2.01 0.00 0.00 34.83 34.80 2crs s MET 24 CO 0.29 -0.81 -0.13 -0.59 -0.01 0.00 0.00 175.02 173.78 2crs s PHE 25 N 1.85 1.39 0.33 -0.03 -0.71 -0.44 -0.62 117.98 119.74 2crs s PHE 25 Ca 0.04 -0.62 0.07 0.00 -1.04 0.00 0.00 56.93 55.38 2crs s PHE 25 Cb -0.17 -0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 40.91 2crs s PHE 25 CO -0.18 0.15 0.27 0.00 -1.34 0.00 0.00 175.22 174.13 2crs s MET 26 N -3.16 2.72 0.00 1.99 0.23 -0.49 -1.08 119.30 119.52 2crs s MET 26 Ca 0.13 -1.28 0.00 0.00 -1.03 0.00 0.00 55.69 53.51 2crs s MET 26 Cb -0.02 -2.47 0.00 0.00 -1.53 0.00 0.00 34.83 30.81 2crs s MET 26 CO 0.03 0.13 0.00 1.55 -2.03 0.00 0.00 175.02 174.69 2crs n VAL 27 N -1.34 0.00 -2.90 5.16 3.14 -1.26 -1.82 118.33 119.30 2crs n VAL 27 Ca -0.02 0.28 -0.04 0.00 -2.96 0.00 0.00 64.34 61.59 2crs n VAL 27 Cb 0.60 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 2crs n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2crs n ALA 28 N -1.94 -1.91 0.00 1.55 0.00 -1.26 -2.68 120.51 114.27 2crs n ALA 28 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2crs n ALA 28 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2crs n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2crs n THR 29 N 1.05 0.00 -2.39 0.00 -2.24 -1.26 -4.01 114.28 105.43 2crs n THR 29 Ca -0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 2crs n THR 29 Cb 0.46 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 2crs n THR 29 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2crs s PRO 30 N 0.00 3.81 1.02 -0.78 0.04 -1.24 -4.99 135.00 132.86 2crs s PRO 30 Ca 0.00 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.06 2crs s PRO 30 Cb 0.00 -3.93 0.10 0.00 0.04 0.00 0.00 34.50 30.71 2crs s PRO 30 CO 0.00 -1.26 0.44 1.63 0.04 0.00 0.00 177.00 177.85 2crs n LYS 31 N 7.56 -0.94 -3.66 4.56 5.02 -1.09 -4.81 118.16 124.79 2crs n LYS 31 Ca 0.15 -0.24 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 2crs n LYS 31 Cb 0.47 -1.90 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 2crs n LYS 31 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2crs s VAL 32 N -2.38 -0.01 -0.14 -0.18 1.01 -0.76 -4.98 120.40 112.96 2crs s VAL 32 Ca 0.59 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 2crs s VAL 32 Cb -0.19 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2crs s VAL 32 CO 0.66 0.01 1.13 -2.16 0.00 0.00 0.00 175.10 174.74 2crs s PRO 33 N 1.32 4.31 -0.10 2.72 0.04 -1.26 -1.39 135.00 140.64 2crs s PRO 33 Ca -0.08 1.53 -0.10 0.00 0.04 0.00 0.00 61.00 62.39 2crs s PRO 33 Cb -0.06 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 2crs s PRO 33 CO -0.14 -0.54 -0.19 0.28 0.04 0.00 0.00 177.00 176.45 2crs n VAL 34 N 5.01 0.83 -3.64 -0.36 0.31 0.21 -4.97 118.33 115.72 2crs n VAL 34 Ca 0.12 0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 64.62 2crs n VAL 34 Cb 0.46 -1.97 -0.07 0.00 -0.91 0.00 0.00 33.84 31.35 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 -2.03 0.79 -0.02 5.55 2.20 -0.72 -4.99 119.74 120.52 2crs s LYS 35 Ca -0.16 0.97 -0.00 0.00 -0.36 0.00 0.00 55.97 56.42 2crs s LYS 35 Cb 0.02 0.37 0.03 0.00 -1.51 0.00 0.00 37.83 36.74 2crs s LYS 35 CO 0.23 -0.10 0.02 -0.98 -0.36 0.00 0.00 175.35 174.16 2crs s ARG 36 N 0.45 0.07 0.00 4.03 1.70 -1.26 0.56 118.95 124.50 2crs s ARG 36 Ca -0.01 0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.42 2crs s ARG 36 Cb -0.05 -0.34 0.00 0.00 -0.57 0.00 0.00 34.95 33.99 2crs s ARG 36 CO -0.01 -0.17 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 2crs n GLY 37 N 4.25 3.14 3.38 3.88 0.00 -0.54 -4.45 105.19 114.85 2crs n GLY 37 Ca -0.26 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.42 0.10 -0.32 0.00 2.07 -0.24 -4.85 121.20 117.54 2crs s ILE 39 Ca 0.04 -1.27 0.07 0.00 -1.41 0.00 0.00 60.65 58.09 2crs s ILE 39 Cb -0.12 -1.61 0.48 0.00 0.13 0.00 0.00 42.46 41.34 2crs s ILE 39 CO 0.02 -0.44 1.43 -0.90 -1.91 0.00 0.00 174.94 173.13 2crs n ASP 40 N -0.15 3.45 -4.08 4.50 5.68 -1.26 -2.16 116.55 122.52 2crs n ASP 40 Ca -0.11 -3.80 -0.10 0.00 -0.50 0.00 0.00 54.79 50.28 2crs n ASP 40 Cb 0.63 -0.59 -0.08 0.00 -1.14 0.00 0.00 41.12 39.94 2crs n ASP 40 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2crs s VAL 41 N -3.73 0.02 -0.43 2.12 1.01 -1.26 -5.00 120.40 113.14 2crs s VAL 41 Ca 0.47 -1.68 0.07 0.00 0.00 0.00 0.00 61.98 60.84 2crs s VAL 41 Cb 0.41 -2.24 0.18 0.00 0.00 0.00 0.00 36.38 34.73 2crs s VAL 41 CO -0.00 -0.10 0.58 0.00 0.00 0.00 0.00 175.10 175.58 2crs n PRO 43 N 3.97 1.51 -3.42 0.00 -0.04 -1.26 -5.09 135.00 130.67 2crs n PRO 43 Ca 0.14 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2crs n PRO 43 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 2crs n PRO 43 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2crs s LYS 44 N 0.00 0.29 0.53 0.54 -2.85 -1.26 -4.88 119.74 112.11 2crs s LYS 44 Ca 0.00 0.69 0.00 0.00 -1.00 0.00 0.00 55.97 55.66 2crs s LYS 44 Cb 0.00 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 2crs s LYS 44 CO 0.00 -0.09 0.00 0.43 0.10 0.00 0.00 175.35 175.79 2crs n SER 45 N 4.81 -7.63 -1.43 0.03 7.64 -1.26 -4.97 113.62 110.81 2crs n SER 45 Ca -0.10 1.19 -0.00 0.00 1.01 0.00 0.00 58.87 60.97 2crs n SER 45 Cb 0.53 -4.65 0.01 0.00 -1.01 0.00 0.00 64.21 59.09 2crs n SER 45 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2crs n SER 46 N -4.30 -0.17 0.00 6.43 7.64 -1.24 -4.87 113.62 117.10 2crs n SER 46 Ca -0.07 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.84 2crs n SER 46 Cb 0.65 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 2crs n SER 46 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2crs n LEU 47 N -0.16 0.00 -2.69 -3.43 4.32 -1.26 -4.38 117.00 109.41 2crs n LEU 47 Ca -0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.91 2crs n LEU 47 Cb 0.50 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.38 2crs n LEU 47 CO -0.02 0.00 0.57 -0.11 -1.22 0.00 0.00 177.39 176.61 2crs n LEU 48 N 0.00 -1.61 0.00 2.23 7.94 -1.26 -5.04 117.00 119.26 2crs n LEU 48 Ca 0.00 -2.61 0.00 0.00 -1.11 0.00 0.00 56.01 52.29 2crs n LEU 48 Cb 0.00 0.75 0.00 0.00 0.53 0.00 0.00 43.42 44.70 2crs n LEU 48 CO 0.00 1.66 0.00 0.55 -1.11 0.00 0.00 177.39 178.49 2crs n VAL 49 N -0.02 0.00 -4.18 1.96 3.14 -1.26 -4.58 118.33 113.39 2crs n VAL 49 Ca -0.08 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.07 2crs n VAL 49 Cb 0.73 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.45 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 2.37 -0.10 1.45 1.02 -0.24 -3.69 119.74 120.55 2crs s LYS 50 Ca 0.00 -1.48 -0.06 0.00 0.02 0.00 0.00 55.97 54.45 2crs s LYS 50 Cb 0.00 -2.18 0.04 0.00 -0.52 0.00 0.00 37.83 35.17 2crs s LYS 50 CO 0.00 0.22 0.25 1.52 -0.92 0.00 0.00 175.35 176.42 2crs s TYR 51 N -2.37 -0.32 0.16 3.18 -0.85 -1.26 -1.33 117.35 114.56 2crs s TYR 51 Ca 0.35 0.76 0.08 0.00 -0.52 0.00 0.00 57.07 57.74 2crs s TYR 51 Cb -0.04 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 2crs s TYR 51 CO 0.22 -0.21 -0.04 0.54 -1.52 0.00 0.00 175.55 174.54 2crs s VAL 52 N 0.94 3.56 0.35 -3.49 0.11 -0.79 -4.70 120.40 116.38 2crs s VAL 52 Ca -0.07 -1.44 0.04 0.00 -2.93 0.00 0.00 61.98 57.59 2crs s VAL 52 Cb -0.08 -2.76 -0.06 0.00 -1.53 0.00 0.00 36.38 31.95 2crs s VAL 52 CO -0.06 -0.07 0.05 0.00 -3.33 0.00 0.00 175.10 171.69 2crs s ASN 55 N 0.74 3.45 0.00 0.00 2.47 -1.26 -1.60 114.94 118.74 2crs s ASN 55 Ca -0.05 -3.20 0.00 0.00 0.42 0.00 0.00 52.86 50.03 2crs s ASN 55 Cb -0.06 -1.09 0.00 0.00 -1.45 0.00 0.00 41.25 38.65 2crs s ASN 55 CO -0.05 -0.17 0.00 0.35 -3.72 0.00 0.00 177.10 173.51 2crs n THR 56 N 2.77 0.00 0.00 -5.21 -2.24 -1.26 -5.10 114.28 103.24 2crs n THR 56 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2crs n THR 56 Cb 0.38 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2crs n THR 56 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2crs n ASP 57 N -0.51 0.00 -1.48 3.42 9.92 -1.26 -4.94 116.55 121.69 2crs n ASP 57 Ca 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.10 2crs n ASP 57 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 2crs n ASP 57 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2crs n ARG 58 N -0.18 -1.36 0.00 -1.24 0.63 -1.26 -4.75 116.66 108.50 2crs n ARG 58 Ca 0.00 0.97 0.08 0.00 -0.92 0.00 0.00 57.85 57.98 2crs n ARG 58 Cb 0.00 -5.28 -0.02 0.00 0.45 0.00 0.00 32.46 27.61 2crs n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12