#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crt s LYS 2 N 0.00 0.57 0.00 3.23 -2.85 -1.25 -1.15 119.74 118.29 2crt s LYS 2 Ca 0.00 0.85 0.00 0.00 -1.00 0.00 0.00 55.97 55.82 2crt s LYS 2 Cb 0.00 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 2crt s LYS 2 CO 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 175.35 175.34 2crt s ASN 4 N 0.99 2.12 0.07 0.00 2.47 -1.22 -0.94 114.94 118.43 2crt s ASN 4 Ca 0.00 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 52.92 2crt s ASN 4 Cb 0.00 -0.90 0.00 0.00 -1.45 0.00 0.00 41.25 38.90 2crt s ASN 4 CO 0.00 0.08 0.00 1.17 -3.72 0.00 0.00 177.10 174.63 2crt n LYS 5 N 3.62 1.42 0.00 0.43 4.81 0.26 -4.77 118.16 123.92 2crt n LYS 5 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 2crt n LYS 5 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 2crt n LYS 5 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2crt n LEU 6 N 0.00 0.19 0.00 3.14 -0.00 -1.26 -4.81 117.00 114.26 2crt n LEU 6 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 56.01 55.72 2crt n LEU 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2crt n LEU 6 CO 0.00 0.05 0.00 0.52 -0.00 0.00 0.00 177.39 177.96 2crt n VAL 7 N -0.20 0.00 0.98 1.47 0.31 -1.26 -4.86 118.33 114.78 2crt n VAL 7 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2crt n VAL 7 Cb 0.07 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 2crt n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2crt n PRO 8 N 0.00 1.02 0.00 5.55 -0.04 -1.26 -4.94 135.00 135.33 2crt n PRO 8 Ca 0.00 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2crt n PRO 8 Cb 0.00 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2crt n PRO 8 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2crt n LEU 9 N 0.34 0.00 0.00 1.53 4.32 -1.26 -5.09 117.00 116.84 2crt n LEU 9 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2crt n LEU 9 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 2crt n LEU 9 CO 0.00 0.00 0.00 0.49 -1.22 0.00 0.00 177.39 176.66 2crt n PHE 10 N 0.00 0.00 -3.96 -1.77 3.72 -1.26 -4.84 117.46 109.35 2crt n PHE 10 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 2crt n PHE 10 Cb 0.00 0.30 -0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2crt n PHE 10 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2crt n TYR 11 N -2.31 -0.44 -3.59 1.38 0.18 -1.25 -0.58 117.16 110.55 2crt n TYR 11 Ca 0.00 -2.30 -0.16 0.00 1.88 0.00 0.00 57.90 57.32 2crt n TYR 11 Cb 0.00 -0.43 -0.07 0.00 -0.38 0.00 0.00 39.34 38.46 2crt n TYR 11 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 2crt s LYS 12 N -4.17 0.93 -0.18 -3.48 2.20 -0.11 -4.67 119.74 110.25 2crt s LYS 12 Ca 0.28 0.29 -0.07 0.00 -0.36 0.00 0.00 55.97 56.11 2crt s LYS 12 Cb -0.02 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 2crt s LYS 12 CO 0.18 -0.26 0.05 -0.08 -0.36 0.00 0.00 175.35 174.87 2crt s THR 13 N -0.94 4.65 -0.43 3.43 -1.32 -1.26 -0.71 115.64 119.06 2crt s THR 13 Ca -0.09 -0.08 0.10 0.00 -1.21 0.00 0.00 61.69 60.40 2crt s THR 13 Cb -0.02 -3.09 0.35 0.00 -1.51 0.00 0.00 72.50 68.23 2crt s THR 13 CO 0.07 0.46 0.79 0.00 -2.21 0.00 0.00 174.62 173.73 2crt h PRO 15 N 3.00 -0.23 0.00 0.00 0.13 -1.79 -3.02 132.00 130.08 2crt h PRO 15 Ca 0.11 0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 65.04 2crt h PRO 15 Cb 0.84 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.99 2crt h PRO 15 CO 0.59 -0.05 -1.54 0.00 -0.23 0.00 0.00 178.00 176.76 2crt n ALA 16 N -2.73 1.80 0.06 -0.56 0.00 -1.26 -4.22 120.51 113.60 2crt n ALA 16 Ca -0.04 -0.63 -0.13 0.00 0.00 0.00 0.00 53.44 52.63 2crt n ALA 16 Cb 0.14 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 2crt n ALA 16 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2crt h GLY 17 N 3.67 -0.15 0.00 0.00 0.00 -1.91 -3.47 103.07 101.21 2crt h GLY 17 Ca -0.21 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2crt h GLY 17 CO 0.05 -0.05 0.00 0.28 0.00 0.00 0.00 176.54 176.82 2crt n LYS 18 N -5.02 0.37 0.00 4.80 4.76 -1.14 -4.91 118.16 117.02 2crt n LYS 18 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2crt n LYS 18 Cb 0.20 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.39 2crt n LYS 18 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2crt n ASN 19 N 0.00 0.00 -4.53 4.39 0.23 -1.23 -4.52 115.26 109.61 2crt n ASN 19 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.80 2crt n ASN 19 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 2crt n ASN 19 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2crt s LEU 20 N -0.13 2.59 -0.26 -4.53 1.02 -0.74 -4.86 118.68 111.77 2crt s LEU 20 Ca 0.00 -1.32 0.01 0.00 0.02 0.00 0.00 54.13 52.84 2crt s LEU 20 Cb 0.00 -0.72 0.07 0.00 0.02 0.00 0.00 46.19 45.56 2crt s LEU 20 CO 0.00 -0.44 -0.02 0.00 0.02 0.00 0.00 176.35 175.91 2crt s TYR 22 N 1.36 2.86 0.33 0.00 1.13 -0.48 -0.91 117.35 121.64 2crt s TYR 22 Ca -0.01 -0.24 0.09 0.00 -1.41 0.00 0.00 57.07 55.50 2crt s TYR 22 Cb -0.19 -1.45 -0.05 0.00 -1.10 0.00 0.00 41.96 39.17 2crt s TYR 22 CO -0.09 0.46 -0.01 0.15 -2.51 0.00 0.00 175.55 173.54 2crt s LYS 23 N -3.82 2.05 -0.35 -3.49 1.02 0.12 -1.19 119.74 114.10 2crt s LYS 23 Ca 0.35 -1.72 0.02 0.00 0.02 0.00 0.00 55.97 54.63 2crt s LYS 23 Cb -0.06 -1.93 0.15 0.00 -0.52 0.00 0.00 37.83 35.47 2crt s LYS 23 CO 0.23 0.18 0.35 -1.64 -0.92 0.00 0.00 175.35 173.55 2crt s MET 24 N -3.69 0.54 0.57 1.68 -1.94 0.60 -1.65 119.30 115.42 2crt s MET 24 Ca 0.34 -0.65 0.09 0.00 -1.71 0.00 0.00 55.69 53.76 2crt s MET 24 Cb -0.01 -0.71 0.08 0.00 2.01 0.00 0.00 34.83 36.20 2crt s MET 24 CO 0.19 -1.15 0.73 -0.06 -0.01 0.00 0.00 175.02 174.72 2crt s PHE 25 N 1.71 1.40 -0.02 -0.03 0.40 -0.66 -0.38 117.98 120.39 2crt s PHE 25 Ca 0.15 -0.76 0.05 0.00 -0.60 0.00 0.00 56.93 55.77 2crt s PHE 25 Cb -0.15 -2.15 -0.01 0.00 0.51 0.00 0.00 43.02 41.22 2crt s PHE 25 CO -0.12 -1.06 -0.19 -1.64 0.70 0.00 0.00 175.22 172.91 2crt s MET 26 N -4.61 1.64 0.00 0.44 -1.94 0.66 -1.59 119.30 113.91 2crt s MET 26 Ca 0.57 -0.67 0.11 0.00 -1.71 0.00 0.00 55.69 53.99 2crt s MET 26 Cb -0.05 -1.53 0.21 0.00 2.01 0.00 0.00 34.83 35.47 2crt s MET 26 CO 0.36 0.36 1.08 0.28 -0.01 0.00 0.00 175.02 177.09 2crt n VAL 27 N 2.78 0.58 -0.23 -6.03 0.31 -0.12 -1.88 118.33 113.74 2crt n VAL 27 Ca -0.16 -0.79 0.26 0.00 -0.01 0.00 0.00 64.34 63.64 2crt n VAL 27 Cb 0.53 0.80 0.40 0.00 -0.91 0.00 0.00 33.84 34.67 2crt n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2crt n ALA 28 N 0.54 0.93 -1.00 3.52 0.00 -1.25 -4.50 120.51 118.75 2crt n ALA 28 Ca 0.09 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2crt n ALA 28 Cb 0.36 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2crt n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2crt n THR 29 N -3.00 0.00 -2.58 0.00 -2.24 -1.26 -5.05 114.28 100.15 2crt n THR 29 Ca 0.22 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.58 2crt n THR 29 Cb 1.33 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 2crt n THR 29 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2crt s PRO 30 N 0.00 3.68 0.05 -0.78 0.04 -1.26 -4.97 135.00 131.76 2crt s PRO 30 Ca 0.00 -1.34 -0.13 0.00 0.04 0.00 0.00 61.00 59.57 2crt s PRO 30 Cb 0.00 -5.38 -0.07 0.00 0.04 0.00 0.00 34.50 29.08 2crt s PRO 30 CO 0.00 -2.20 0.29 1.63 0.04 0.00 0.00 177.00 176.75 2crt n LYS 31 N 8.69 0.00 -3.66 4.56 5.02 -1.25 -4.85 118.16 126.68 2crt n LYS 31 Ca 0.36 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.56 2crt n LYS 31 Cb 0.50 -0.47 -0.08 0.00 -0.02 0.00 0.00 35.03 34.96 2crt n LYS 31 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2crt s VAL 32 N -0.25 -0.01 -0.06 -0.18 1.01 -0.79 -4.92 120.40 115.21 2crt s VAL 32 Ca 0.29 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 2crt s VAL 32 Cb -0.42 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2crt s VAL 32 CO 0.22 0.01 1.36 -2.16 0.00 0.00 0.00 175.10 174.53 2crt s PRO 33 N 1.41 4.27 -0.09 2.72 0.04 -1.26 -0.24 135.00 141.85 2crt s PRO 33 Ca -0.09 1.86 -0.00 0.00 0.04 0.00 0.00 61.00 62.81 2crt s PRO 33 Cb -0.06 -3.67 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 2crt s PRO 33 CO -0.15 -0.62 -0.08 0.28 0.04 0.00 0.00 177.00 176.47 2crt n VAL 34 N 4.93 0.49 -3.79 -0.36 0.31 0.49 -4.93 118.33 115.48 2crt n VAL 34 Ca 0.13 -0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.16 2crt n VAL 34 Cb 0.44 -0.96 -0.13 0.00 -0.91 0.00 0.00 33.84 32.28 2crt n VAL 34 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2crt s LYS 35 N -2.17 0.17 -0.19 5.55 1.02 -0.65 -4.96 119.74 118.51 2crt s LYS 35 Ca -0.12 0.29 -0.04 0.00 0.02 0.00 0.00 55.97 56.12 2crt s LYS 35 Cb 0.03 0.01 0.08 0.00 -0.52 0.00 0.00 37.83 37.44 2crt s LYS 35 CO 0.19 -0.07 0.18 1.03 -0.92 0.00 0.00 175.35 175.76 2crt s ARG 36 N 0.45 0.15 0.00 1.68 0.52 -1.26 0.22 118.95 120.71 2crt s ARG 36 Ca -0.03 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 2crt s ARG 36 Cb -0.04 -1.40 0.00 0.00 0.52 0.00 0.00 34.95 34.02 2crt s ARG 36 CO -0.02 -0.66 0.00 0.41 0.02 0.00 0.00 175.30 175.05 2crt n GLY 37 N 5.31 5.09 3.12 -3.53 0.00 -0.33 -4.52 105.19 110.33 2crt n GLY 37 Ca -0.06 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 2crt n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crt s ILE 39 N 0.46 0.37 -2.54 0.00 2.07 -0.43 -4.82 121.20 116.32 2crt s ILE 39 Ca -0.15 -1.86 0.23 0.00 -1.41 0.00 0.00 60.65 57.46 2crt s ILE 39 Cb -0.16 -1.64 0.40 0.00 0.13 0.00 0.00 42.46 41.19 2crt s ILE 39 CO 0.06 -0.90 1.41 0.47 -1.91 0.00 0.00 174.94 174.07 2crt n ASP 40 N 0.03 3.15 -3.64 4.50 9.92 -1.26 -1.80 116.55 127.46 2crt n ASP 40 Ca -0.12 -1.96 -0.05 0.00 -0.53 0.00 0.00 54.79 52.13 2crt n ASP 40 Cb 0.61 -0.19 -0.07 0.00 -0.64 0.00 0.00 41.12 40.83 2crt n ASP 40 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2crt s VAL 41 N -1.61 -0.03 -0.23 2.53 1.01 -1.26 -4.96 120.40 115.85 2crt s VAL 41 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 2crt s VAL 41 Cb 0.22 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2crt s VAL 41 CO 0.31 0.00 0.84 0.00 0.00 0.00 0.00 175.10 176.25 2crt n PRO 43 N 5.87 0.00 0.00 0.00 -0.04 -1.26 -5.05 135.00 134.52 2crt n PRO 43 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2crt n PRO 43 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2crt n PRO 43 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2crt n LYS 44 N 0.00 0.00 0.00 0.54 0.00 -1.26 -5.12 118.16 112.32 2crt n LYS 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2crt n LYS 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2crt n LYS 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2crt n SER 45 N 0.00 0.00 0.00 -5.58 2.88 -1.25 -4.97 113.62 104.70 2crt n SER 45 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2crt n SER 45 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2crt n SER 45 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2crt n SER 46 N 0.00 0.00 0.00 -3.46 3.41 -1.17 -4.89 113.62 107.51 2crt n SER 46 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2crt n SER 46 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2crt n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2crt n LEU 47 N 0.00 0.00 0.00 1.04 4.77 -1.26 -4.94 117.00 116.61 2crt n LEU 47 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2crt n LEU 47 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2crt n LEU 47 CO 0.00 0.00 0.08 0.18 -1.33 0.00 0.00 177.39 176.32 2crt n LEU 48 N -0.30 0.32 -3.78 2.23 4.77 -1.26 -4.73 117.00 114.25 2crt n LEU 48 Ca 0.00 -0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 55.53 2crt n LEU 48 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 2crt n LEU 48 CO 0.00 0.08 -0.12 0.54 -1.33 0.00 0.00 177.39 176.56 2crt s VAL 49 N -0.00 -0.01 0.39 4.08 0.11 -1.26 -0.94 120.40 122.76 2crt s VAL 49 Ca 0.00 0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.17 2crt s VAL 49 Cb 0.00 -0.33 -0.06 0.00 -1.53 0.00 0.00 36.38 34.46 2crt s VAL 49 CO 0.00 0.02 0.08 -0.54 -3.33 0.00 0.00 175.10 171.33 2crt s LYS 50 N 0.43 2.11 -0.03 1.54 1.02 -0.62 -3.05 119.74 121.14 2crt s LYS 50 Ca -0.03 -1.88 -0.02 0.00 0.02 0.00 0.00 55.97 54.07 2crt s LYS 50 Cb -0.04 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.40 2crt s LYS 50 CO -0.02 -0.01 0.08 1.52 -0.92 0.00 0.00 175.35 175.99 2crt s TYR 51 N -2.60 -0.08 -0.25 3.18 1.13 -1.25 -1.66 117.35 115.83 2crt s TYR 51 Ca 0.37 0.22 0.02 0.00 -1.41 0.00 0.00 57.07 56.27 2crt s TYR 51 Cb 0.04 -0.02 0.06 0.00 -1.10 0.00 0.00 41.96 40.95 2crt s TYR 51 CO 0.20 -0.06 -0.06 0.08 -2.51 0.00 0.00 175.55 173.20 2crt s VAL 52 N 0.29 1.75 0.34 -3.49 1.01 -0.66 -4.79 120.40 114.85 2crt s VAL 52 Ca -0.02 -1.40 0.07 0.00 0.00 0.00 0.00 61.98 60.62 2crt s VAL 52 Cb -0.03 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2crt s VAL 52 CO -0.01 -0.11 0.45 0.00 0.00 0.00 0.00 175.10 175.43 2crt n ASN 55 N 1.43 2.79 -0.01 0.00 5.15 -1.26 -1.86 115.26 121.49 2crt n ASN 55 Ca -0.19 -2.97 -0.01 0.00 -0.60 0.00 0.00 54.58 50.81 2crt n ASN 55 Cb 0.56 -0.48 -0.02 0.00 -0.53 0.00 0.00 39.78 39.32 2crt n ASN 55 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2crt n THR 56 N -0.37 0.13 0.00 -0.44 -1.04 -1.26 -5.11 114.28 106.19 2crt n THR 56 Ca 0.21 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2crt n THR 56 Cb 0.79 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 2crt n THR 56 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2crt n ASP 57 N -1.99 0.00 0.00 8.00 -0.08 -1.26 -4.83 116.55 116.39 2crt n ASP 57 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 2crt n ASP 57 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2crt n ASP 57 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2crt n ARG 58 N 2.31 0.00 0.00 -0.67 0.63 -1.22 -4.79 116.66 112.91 2crt n ARG 58 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 2crt n ARG 58 Cb 0.00 -1.00 0.10 0.00 0.45 0.00 0.00 32.46 32.02 2crt n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12