#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 0.55 0.29 3.23 2.20 -1.26 -1.28 119.74 123.47 2crs s LYS 2 Ca 0.00 0.92 0.05 0.00 -0.36 0.00 0.00 55.97 56.58 2crs s LYS 2 Cb 0.00 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 2crs s LYS 2 CO 0.00 -0.14 0.28 0.00 -0.36 0.00 0.00 175.35 175.14 2crs s ASN 4 N -2.98 3.61 0.02 0.00 2.47 -1.26 -1.21 114.94 115.58 2crs s ASN 4 Ca 0.32 -0.53 0.00 0.00 0.42 0.00 0.00 52.86 53.07 2crs s ASN 4 Cb 0.01 -1.58 0.00 0.00 -1.45 0.00 0.00 41.25 38.23 2crs s ASN 4 CO 0.23 0.01 0.00 0.29 -3.72 0.00 0.00 177.10 173.91 2crs n LYS 5 N 4.60 1.10 0.00 0.43 4.76 -0.21 -4.69 118.16 124.15 2crs n LYS 5 Ca -0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 2crs n LYS 5 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 2crs n LYS 5 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2crs n LEU 6 N 0.00 0.00 0.01 -0.35 -0.00 -1.26 -4.76 117.00 110.64 2crs n LEU 6 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 2crs n LEU 6 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2crs n LEU 6 CO 0.00 0.00 -0.32 -0.37 -0.00 0.00 0.00 177.39 176.70 2crs h VAL 7 N 0.00 1.12 -1.47 1.47 -1.51 -1.94 -3.47 116.25 110.44 2crs h VAL 7 Ca 0.00 -2.91 0.00 0.00 -1.23 0.00 0.00 66.70 62.56 2crs h VAL 7 Cb 0.50 2.57 0.00 0.00 -2.13 0.00 0.00 31.29 32.23 2crs h VAL 7 CO 0.00 0.66 0.00 -0.81 -1.23 0.00 0.00 177.57 176.19 2crs n PRO 8 N -3.17 0.59 0.33 5.19 -0.04 -1.26 -5.00 135.00 131.64 2crs n PRO 8 Ca -0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.21 2crs n PRO 8 Cb 1.02 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.42 2crs n PRO 8 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2crs h LEU 9 N 0.00 -0.73 0.00 1.53 7.12 -1.94 -3.48 115.31 117.81 2crs h LEU 9 Ca 0.00 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.04 2crs h LEU 9 Cb 0.00 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 2crs h LEU 9 CO 0.00 -0.44 0.00 0.49 -0.13 0.00 0.00 178.44 178.36 2crs n PHE 10 N -4.78 -0.60 -4.31 1.25 3.01 -1.26 -5.03 117.46 105.74 2crs n PHE 10 Ca -0.11 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.15 2crs n PHE 10 Cb 0.34 0.18 -0.13 0.00 -0.01 0.00 0.00 39.48 39.86 2crs n PHE 10 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2crs s TYR 11 N -0.36 1.40 0.45 1.38 -0.85 -1.26 -1.05 117.35 117.07 2crs s TYR 11 Ca 0.00 -0.40 0.03 0.00 -0.52 0.00 0.00 57.07 56.17 2crs s TYR 11 Cb 0.00 -0.80 -0.01 0.00 0.38 0.00 0.00 41.96 41.52 2crs s TYR 11 CO 0.00 0.08 0.10 -1.59 -1.52 0.00 0.00 175.55 172.62 2crs s LYS 12 N -1.50 2.06 -0.07 -3.49 -2.85 -0.35 -4.91 119.74 108.63 2crs s LYS 12 Ca 0.02 -2.29 0.02 0.00 -1.00 0.00 0.00 55.97 52.71 2crs s LYS 12 Cb -0.09 -0.86 -0.03 0.00 -2.06 0.00 0.00 37.83 34.79 2crs s LYS 12 CO 0.02 -0.49 -0.10 -0.08 0.10 0.00 0.00 175.35 174.80 2crs s THR 13 N -3.09 3.39 -0.34 3.79 -1.32 -1.26 -1.50 115.64 115.31 2crs s THR 13 Ca 0.16 -0.59 0.16 0.00 -1.21 0.00 0.00 61.69 60.21 2crs s THR 13 Cb 0.01 -2.38 0.43 0.00 -1.51 0.00 0.00 72.50 69.05 2crs s THR 13 CO 0.11 0.58 0.95 0.00 -2.21 0.00 0.00 174.62 174.05 2crs h PRO 15 N 2.90 0.32 0.00 0.00 0.13 -1.73 -2.78 132.00 130.84 2crs h PRO 15 Ca -0.08 -0.46 -0.37 0.00 -0.87 0.00 0.00 66.00 64.22 2crs h PRO 15 Cb 1.15 0.16 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 2crs h PRO 15 CO 0.43 1.18 -2.29 0.00 -0.23 0.00 0.00 178.00 177.09 2crs n ALA 16 N -2.54 1.50 0.29 -0.56 0.00 -1.26 -4.61 120.51 113.33 2crs n ALA 16 Ca -0.08 -0.94 -0.17 0.00 0.00 0.00 0.00 53.44 52.25 2crs n ALA 16 Cb 0.95 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 20.43 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 0.21 -1.02 0.00 0.00 0.00 -1.90 -3.45 103.07 96.91 2crs h GLY 17 Ca -0.56 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2crs h GLY 17 CO -0.24 -0.35 0.00 0.28 0.00 0.00 0.00 176.54 176.23 2crs n LYS 18 N -5.52 2.08 0.00 4.80 4.76 -1.15 -4.98 118.16 118.16 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 0.41 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.60 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 -1.07 0.17 -3.61 4.39 6.94 -1.23 -4.22 115.26 116.64 2crs n ASN 19 Ca 0.00 -0.67 -0.13 0.00 -0.02 0.00 0.00 54.58 53.75 2crs n ASN 19 Cb 0.00 0.11 -0.06 0.00 -2.36 0.00 0.00 39.78 37.47 2crs n ASN 19 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2crs s LEU 20 N -0.21 0.11 -0.39 -4.53 2.96 -0.73 -4.79 118.68 111.09 2crs s LEU 20 Ca 0.00 0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.92 2crs s LEU 20 Cb 0.00 1.98 0.06 0.00 0.50 0.00 0.00 46.19 48.73 2crs s LEU 20 CO 0.00 -0.70 0.21 0.00 -1.32 0.00 0.00 176.35 174.54 2crs s TYR 22 N 1.45 3.38 0.18 0.00 1.13 -0.41 -0.64 117.35 122.44 2crs s TYR 22 Ca 0.02 -0.05 0.04 0.00 -1.41 0.00 0.00 57.07 55.66 2crs s TYR 22 Cb -0.21 -1.62 -0.05 0.00 -1.10 0.00 0.00 41.96 38.98 2crs s TYR 22 CO 0.03 0.38 -0.06 0.21 -2.51 0.00 0.00 175.55 173.61 2crs s LYS 23 N -4.00 1.17 -0.22 -3.49 2.20 0.11 -1.37 119.74 114.14 2crs s LYS 23 Ca 0.35 -1.54 -0.03 0.00 -0.36 0.00 0.00 55.97 54.39 2crs s LYS 23 Cb -0.09 -0.59 0.11 0.00 -1.51 0.00 0.00 37.83 35.75 2crs s LYS 23 CO 0.29 -0.01 0.31 -1.64 -0.36 0.00 0.00 175.35 173.94 2crs s MET 24 N -3.80 0.28 0.08 4.03 -1.94 0.42 -1.57 119.30 116.79 2crs s MET 24 Ca 0.22 0.39 0.09 0.00 -1.71 0.00 0.00 55.69 54.67 2crs s MET 24 Cb 0.04 -0.80 -0.03 0.00 2.01 0.00 0.00 34.83 36.05 2crs s MET 24 CO 0.04 -0.64 -0.22 -0.59 -0.01 0.00 0.00 175.02 173.59 2crs s PHE 25 N 2.45 1.93 0.17 -0.03 -0.12 -0.64 -0.91 117.98 120.83 2crs s PHE 25 Ca 0.10 -0.40 0.06 0.00 -0.05 0.00 0.00 56.93 56.64 2crs s PHE 25 Cb -0.16 -1.09 -0.04 0.00 -0.63 0.00 0.00 43.02 41.10 2crs s PHE 25 CO -0.14 0.19 0.08 0.00 -0.05 0.00 0.00 175.22 175.30 2crs s MET 26 N -1.65 2.70 -0.01 1.99 0.23 -0.38 -1.40 119.30 120.78 2crs s MET 26 Ca 0.08 -0.98 0.01 0.00 -1.03 0.00 0.00 55.69 53.78 2crs s MET 26 Cb -0.10 -2.52 0.02 0.00 -1.53 0.00 0.00 34.83 30.70 2crs s MET 26 CO 0.04 0.47 0.76 0.28 -2.03 0.00 0.00 175.02 174.53 2crs n VAL 27 N -0.31 0.42 -0.02 5.16 0.31 -0.60 -1.73 118.33 121.56 2crs n VAL 27 Ca -0.09 -0.45 0.23 0.00 -0.01 0.00 0.00 64.34 64.02 2crs n VAL 27 Cb 0.55 0.70 0.60 0.00 -0.91 0.00 0.00 33.84 34.78 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 0.00 2.44 0.00 3.52 0.00 -1.95 -3.41 119.26 119.85 2crs h ALA 28 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2crs h ALA 28 Cb 0.92 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2crs h ALA 28 CO 0.00 -1.12 0.00 2.41 0.00 0.00 0.00 179.25 180.54 2crs n THR 29 N -3.43 0.00 -1.48 0.00 -1.04 -1.26 -4.99 114.28 102.08 2crs n THR 29 Ca 0.13 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.75 2crs n THR 29 Cb 1.01 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.50 2crs n THR 29 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2crs n PRO 30 N -2.78 3.70 -1.47 -2.82 -0.04 -1.26 -4.93 135.00 125.39 2crs n PRO 30 Ca 0.00 -2.44 -0.43 0.00 -0.04 0.00 0.00 63.50 60.59 2crs n PRO 30 Cb 0.00 -2.85 -0.14 0.00 -0.04 0.00 0.00 33.50 30.47 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 3.71 0.07 -3.46 0.54 2.85 -1.25 -4.73 118.16 115.89 2crs n LYS 31 Ca 0.72 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.87 2crs n LYS 31 Cb 0.26 -1.61 -0.02 0.00 -0.65 0.00 0.00 35.03 33.01 2crs n LYS 31 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2crs s VAL 32 N 8.78 0.00 0.68 0.58 -7.23 -0.71 -4.99 120.40 117.52 2crs s VAL 32 Ca 1.32 -0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 61.28 2crs s VAL 32 Cb -1.23 -1.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 2crs s VAL 32 CO 0.50 -0.01 1.06 -2.16 -0.31 0.00 0.00 175.10 174.17 2crs s PRO 33 N -3.76 3.08 0.00 4.82 0.04 -1.26 -1.25 135.00 136.66 2crs s PRO 33 Ca 0.02 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2crs s PRO 33 Cb -0.01 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2crs s PRO 33 CO -0.12 -0.96 0.00 0.28 0.04 0.00 0.00 177.00 176.25 2crs n VAL 34 N -3.01 0.00 -3.68 -0.36 0.31 -0.09 -4.84 118.33 106.66 2crs n VAL 34 Ca 0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.15 2crs n VAL 34 Cb 0.54 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.30 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 -1.00 0.28 -0.10 5.55 2.20 -0.72 -4.98 119.74 120.98 2crs s LYS 35 Ca 0.00 -0.06 -0.03 0.00 -0.36 0.00 0.00 55.97 55.52 2crs s LYS 35 Cb 0.00 -1.53 0.04 0.00 -1.51 0.00 0.00 37.83 34.84 2crs s LYS 35 CO 0.00 -0.54 0.07 -0.98 -0.36 0.00 0.00 175.35 173.54 2crs s ARG 36 N 2.04 0.02 0.00 4.03 1.70 -1.26 0.16 118.95 125.65 2crs s ARG 36 Ca 0.02 0.16 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 2crs s ARG 36 Cb -0.15 -1.10 0.00 0.00 -0.57 0.00 0.00 34.95 33.13 2crs s ARG 36 CO -0.07 -0.47 0.00 0.41 -1.08 0.00 0.00 175.30 174.09 2crs n GLY 37 N 5.28 4.00 3.03 3.88 0.00 -0.47 -4.33 105.19 116.57 2crs n GLY 37 Ca -0.05 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 1.43 2.07 -0.60 0.00 2.07 0.59 -4.84 121.20 121.93 2crs s ILE 39 Ca 0.03 -2.18 0.25 0.00 -1.41 0.00 0.00 60.65 57.33 2crs s ILE 39 Cb -0.14 -2.59 0.23 0.00 0.13 0.00 0.00 42.46 40.09 2crs s ILE 39 CO -0.10 -0.23 1.59 -2.24 -1.91 0.00 0.00 174.94 172.05 2crs h ASP 40 N 2.09 0.00 -3.70 4.50 2.03 -1.94 -1.93 116.42 117.47 2crs h ASP 40 Ca -0.41 -0.04 -0.02 0.00 -0.73 0.00 0.00 57.03 55.83 2crs h ASP 40 Cb 1.25 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.53 2crs h ASP 40 CO 0.70 0.02 0.13 0.54 -1.03 0.00 0.00 179.24 179.60 2crs s VAL 41 N -3.16 0.00 0.60 4.15 0.11 -1.26 -4.76 120.40 116.08 2crs s VAL 41 Ca 0.08 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.98 2crs s VAL 41 Cb 0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 2crs s VAL 41 CO 0.66 0.00 1.04 0.00 -3.33 0.00 0.00 175.10 173.46 2crs n PRO 43 N -2.21 1.36 -1.84 0.00 -0.04 -1.26 -5.03 135.00 125.97 2crs n PRO 43 Ca 0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2crs n PRO 43 Cb 0.53 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.05 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 0.00 1.20 -1.23 0.54 2.85 -1.26 -5.01 118.16 115.25 2crs n LYS 44 Ca 0.00 -2.92 0.14 0.00 -1.05 0.00 0.00 58.31 54.48 2crs n LYS 44 Cb 0.00 -1.01 -0.06 0.00 -0.65 0.00 0.00 35.03 33.31 2crs n LYS 44 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2crs n SER 45 N -0.23 -6.34 -0.02 -5.58 2.88 -1.26 -4.90 113.62 98.17 2crs n SER 45 Ca 0.13 0.92 -0.04 0.00 -1.33 0.00 0.00 58.87 58.55 2crs n SER 45 Cb 0.95 -4.04 -0.01 0.00 -0.75 0.00 0.00 64.21 60.36 2crs n SER 45 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2crs n SER 46 N -4.18 0.74 0.00 -3.46 3.41 -1.16 -5.02 113.62 103.94 2crs n SER 46 Ca -0.05 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2crs n SER 46 Cb 0.59 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -3.10 0.00 0.00 1.04 7.94 -1.26 -4.94 117.00 116.68 2crs n LEU 47 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 2crs n LEU 47 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2crs n LEU 47 CO 0.01 0.00 0.27 0.00 -1.11 0.00 0.00 177.39 176.56 2crs n LEU 48 N 0.00 0.95 -3.62 -1.96 -0.00 -1.26 -4.98 117.00 106.12 2crs n LEU 48 Ca 0.00 -0.95 -0.23 0.00 -0.00 0.00 0.00 56.01 54.83 2crs n LEU 48 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.25 2crs n LEU 48 CO 0.00 0.24 -0.32 0.54 -0.00 0.00 0.00 177.39 177.85 2crs s VAL 49 N -0.28 -0.12 0.57 1.47 0.11 -1.26 -1.55 120.40 119.34 2crs s VAL 49 Ca 0.00 0.04 0.09 0.00 -2.93 0.00 0.00 61.98 59.18 2crs s VAL 49 Cb 0.00 -0.44 0.09 0.00 -1.53 0.00 0.00 36.38 34.50 2crs s VAL 49 CO 0.00 -0.12 0.79 -0.54 -3.33 0.00 0.00 175.10 171.90 2crs s LYS 50 N 2.17 2.30 0.07 1.54 1.02 -0.49 -2.99 119.74 123.35 2crs s LYS 50 Ca 0.03 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.41 2crs s LYS 50 Cb -0.15 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 2crs s LYS 50 CO -0.07 -0.86 -0.05 1.52 -0.92 0.00 0.00 175.35 174.97 2crs s TYR 51 N -2.67 0.65 -0.12 3.18 1.13 -1.26 -1.63 117.35 116.63 2crs s TYR 51 Ca 0.62 -0.95 -0.04 0.00 -1.41 0.00 0.00 57.07 55.29 2crs s TYR 51 Cb -0.06 -0.42 0.06 0.00 -1.10 0.00 0.00 41.96 40.43 2crs s TYR 51 CO 0.39 -0.27 0.16 0.08 -2.51 0.00 0.00 175.55 173.40 2crs s VAL 52 N -3.52 -0.25 0.46 -3.49 1.01 -0.61 -4.86 120.40 109.15 2crs s VAL 52 Ca 0.06 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.30 2crs s VAL 52 Cb 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2crs s VAL 52 CO -0.07 0.02 0.26 0.00 0.00 0.00 0.00 175.10 175.32 2crs n ASN 55 N 0.10 0.87 -0.61 0.00 5.15 -1.26 -1.74 115.26 117.77 2crs n ASN 55 Ca -0.18 -1.88 0.06 0.00 -0.60 0.00 0.00 54.58 51.99 2crs n ASN 55 Cb 0.62 -0.13 0.10 0.00 -0.53 0.00 0.00 39.78 39.84 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 -0.37 0.40 -1.37 -0.44 -1.04 -1.26 -4.93 114.28 105.26 2crs n THR 56 Ca 0.03 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 2crs n THR 56 Cb 0.53 0.96 0.00 0.00 -1.82 0.00 0.00 70.33 70.00 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 0.71 -7.56 0.00 8.00 2.03 -1.26 -4.67 116.55 113.79 2crs n ASP 57 Ca 0.10 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.48 2crs n ASP 57 Cb 0.38 -3.97 0.00 0.00 -0.72 0.00 0.00 41.12 36.80 2crs n ASP 57 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2crs n ARG 58 N -0.83 0.00 -0.10 -0.67 0.63 -1.25 -4.77 116.66 109.67 2crs n ARG 58 Ca 0.00 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.00 2crs n ARG 58 Cb 0.00 -2.55 0.12 0.00 0.45 0.00 0.00 32.46 30.47 2crs n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12