#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrp s LYS 2 N 0.00 2.98 0.17 0.00 0.00 -1.26 -2.04 119.74 119.59 1zrp s LYS 2 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 55.97 55.18 1zrp s LYS 2 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 37.83 35.52 1zrp s LYS 2 CO 0.00 0.19 -0.06 -1.58 0.00 0.00 0.00 175.35 173.90 1zrp s TRP 3 N 0.31 2.72 0.14 1.78 0.52 0.19 -2.12 118.94 122.48 1zrp s TRP 3 Ca -0.18 -0.18 0.10 0.00 0.02 0.00 0.00 56.10 55.86 1zrp s TRP 3 Cb -0.18 -1.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 1zrp s TRP 3 CO 0.08 0.51 -0.23 0.54 0.02 0.00 0.00 176.95 177.87 1zrp s VAL 4 N -1.67 2.02 -0.39 4.03 0.11 0.83 0.40 120.40 125.73 1zrp s VAL 4 Ca 0.26 -1.77 -0.26 0.00 -2.93 0.00 0.00 61.98 57.28 1zrp s VAL 4 Cb -0.09 -1.85 0.02 0.00 -1.53 0.00 0.00 36.38 32.93 1zrp s VAL 4 CO 0.16 -0.07 0.93 0.00 -3.33 0.00 0.00 175.10 172.79 1zrp n LYS 6 N 6.89 2.19 0.00 0.00 0.00 -0.90 -1.64 118.16 124.68 1zrp n LYS 6 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 58.31 57.29 1zrp n LYS 6 Cb 0.48 -1.62 0.00 0.00 0.00 0.00 0.00 35.03 33.89 1zrp n LYS 6 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1zrp n ILE 7 N 0.24 0.00 0.06 3.15 -0.00 -1.26 -4.86 119.36 116.69 1zrp n ILE 7 Ca 0.10 0.29 -0.15 0.00 -0.00 0.00 0.00 62.75 62.98 1zrp n ILE 7 Cb 0.49 -1.28 -0.14 0.00 -0.00 0.00 0.00 39.64 38.71 1zrp n ILE 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1zrp n GLY 9 N 1.62 1.67 3.94 0.00 0.00 -0.66 -5.10 105.19 106.67 1zrp n GLY 9 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1zrp n GLY 9 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1zrp s TYR 10 N -2.00 2.87 -0.04 1.61 5.04 -1.24 -4.88 117.35 118.71 1zrp s TYR 10 Ca 0.00 0.31 -0.02 0.00 -2.44 0.00 0.00 57.07 54.92 1zrp s TYR 10 Cb 0.00 -3.08 0.02 0.00 0.35 0.00 0.00 41.96 39.25 1zrp s TYR 10 CO 0.00 -1.28 0.08 0.42 -1.34 0.00 0.00 175.55 173.43 1zrp s ILE 11 N -3.12 -0.03 -0.07 3.14 1.09 -1.26 0.58 121.20 121.52 1zrp s ILE 11 Ca 0.60 0.12 -0.16 0.00 -1.10 0.00 0.00 60.65 60.10 1zrp s ILE 11 Cb -0.11 -0.13 -0.05 0.00 -1.06 0.00 0.00 42.46 41.11 1zrp s ILE 11 CO 0.43 0.05 0.42 -0.47 -0.10 0.00 0.00 174.94 175.27 1zrp s TYR 12 N 0.68 3.60 -0.23 3.97 5.04 0.16 -4.95 117.35 125.61 1zrp s TYR 12 Ca -0.05 0.89 0.02 0.00 -2.44 0.00 0.00 57.07 55.49 1zrp s TYR 12 Cb -0.07 -2.41 0.05 0.00 0.35 0.00 0.00 41.96 39.88 1zrp s TYR 12 CO -0.03 0.38 -0.12 0.34 -1.34 0.00 0.00 175.55 174.78 1zrp s ASP 13 N -0.12 3.97 0.39 4.32 2.15 -1.26 0.53 116.67 126.65 1zrp s ASP 13 Ca 0.24 -1.15 0.17 0.00 0.43 0.00 0.00 52.55 52.24 1zrp s ASP 13 Cb -0.15 -1.46 0.81 0.00 -0.30 0.00 0.00 42.92 41.82 1zrp s ASP 13 CO 0.11 -0.15 1.83 -0.33 -0.17 0.00 0.00 175.17 176.46 1zrp h GLU 14 N 7.85 0.00 0.00 4.34 5.08 -1.69 0.39 114.58 130.55 1zrp h GLU 14 Ca -0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1zrp h GLU 14 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1zrp h GLU 14 CO 0.50 0.34 -0.20 0.22 -1.00 0.00 0.00 179.01 178.87 1zrp h ASP 15 N 0.00 0.00 0.03 1.42 1.82 -1.87 -1.06 116.42 116.76 1zrp h ASP 15 Ca -0.00 0.00 -0.39 0.00 -0.39 0.00 0.00 57.03 56.25 1zrp h ASP 15 Cb 0.69 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.65 1zrp h ASP 15 CO 0.04 0.20 -2.32 0.00 -1.61 0.00 0.00 179.24 175.56 1zrp n ALA 16 N -2.45 1.24 0.00 -0.78 0.00 -0.28 -4.51 120.51 113.73 1zrp n ALA 16 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1zrp n ALA 16 Cb 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1zrp n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zrp n GLY 17 N 1.96 -1.17 2.66 0.00 0.00 0.12 -4.21 105.19 104.55 1zrp n GLY 17 Ca -0.44 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.40 1zrp n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zrp n ASP 18 N 0.00 -0.79 0.28 1.61 2.03 -0.90 -4.51 116.55 114.27 1zrp n ASP 18 Ca 0.00 -2.69 0.15 0.00 0.52 0.00 0.00 54.79 52.77 1zrp n ASP 18 Cb 0.00 0.55 0.81 0.00 -0.72 0.00 0.00 41.12 41.76 1zrp n ASP 18 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1zrp h PRO 19 N 2.46 0.00 -0.06 -0.67 0.13 -1.73 0.48 132.00 132.60 1zrp h PRO 19 Ca -0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1zrp h PRO 19 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1zrp h PRO 19 CO 0.15 0.00 0.04 0.22 -0.23 0.00 0.00 178.00 178.18 1zrp h ASP 20 N 0.00 0.07 -0.56 1.44 3.58 -1.94 -2.16 116.42 116.85 1zrp h ASP 20 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1zrp h ASP 20 Cb 0.38 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1zrp h ASP 20 CO 0.00 0.09 0.00 0.59 -2.88 0.00 0.00 179.24 177.04 1zrp n ASN 21 N -5.03 5.55 -1.81 2.28 3.02 0.14 -4.96 115.26 114.46 1zrp n ASN 21 Ca -0.06 -2.90 -0.05 0.00 -0.03 0.00 0.00 54.58 51.55 1zrp n ASN 21 Cb 0.05 -0.67 0.02 0.00 -0.61 0.00 0.00 39.78 38.57 1zrp n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zrp n GLY 22 N 0.59 0.27 3.31 7.41 0.00 0.19 -5.05 105.19 111.90 1zrp n GLY 22 Ca 0.27 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1zrp n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zrp s ILE 23 N -3.10 2.01 0.07 -0.61 1.09 -0.51 -4.90 121.20 115.24 1zrp s ILE 23 Ca 0.05 -1.17 -0.10 0.00 -1.10 0.00 0.00 60.65 58.33 1zrp s ILE 23 Cb -0.01 -1.68 -0.06 0.00 -1.06 0.00 0.00 42.46 39.65 1zrp s ILE 23 CO 0.20 0.49 0.40 -0.44 -0.10 0.00 0.00 174.94 175.49 1zrp s SER 24 N -0.80 6.65 -0.85 3.58 0.01 -1.26 -2.12 113.70 118.91 1zrp s SER 24 Ca 0.10 0.80 -0.21 0.00 1.31 0.00 0.00 55.95 57.95 1zrp s SER 24 Cb -0.10 -2.18 -0.20 0.00 0.21 0.00 0.00 66.02 63.75 1zrp s SER 24 CO 0.00 0.18 2.34 -2.65 0.41 0.00 0.00 173.24 173.53 1zrp n PRO 25 N 0.98 0.40 0.00 12.44 -0.02 -1.26 -0.96 135.00 146.57 1zrp n PRO 25 Ca -0.08 -0.61 0.00 0.00 -2.02 0.00 0.00 63.50 60.79 1zrp n PRO 25 Cb 0.52 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zrp n GLY 26 N 6.44 0.68 3.85 -1.23 0.00 -0.40 -4.95 105.19 109.58 1zrp n GLY 26 Ca 0.53 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.23 1zrp n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zrp s THR 27 N -0.75 4.61 0.24 2.61 2.01 -0.14 -5.05 115.64 119.17 1zrp s THR 27 Ca 0.00 1.05 0.05 0.00 0.31 0.00 0.00 61.69 63.10 1zrp s THR 27 Cb 0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1zrp s THR 27 CO 0.00 -0.54 0.35 -0.54 -0.69 0.00 0.00 174.62 173.20 1zrp s LYS 28 N -3.78 3.42 0.02 4.92 1.02 -1.26 -4.71 119.74 119.36 1zrp s LYS 28 Ca 0.56 -0.77 -0.15 0.00 0.02 0.00 0.00 55.97 55.64 1zrp s LYS 28 Cb -0.10 -2.88 -0.08 0.00 -0.52 0.00 0.00 37.83 34.25 1zrp s LYS 28 CO 0.28 0.43 1.14 0.35 -0.92 0.00 0.00 175.35 176.62 1zrp h PHE 29 N 1.22 -0.49 0.00 3.18 3.57 -1.97 0.21 116.94 122.66 1zrp h PHE 29 Ca -0.52 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.97 1zrp h PHE 29 Cb 1.23 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1zrp h PHE 29 CO 0.46 -0.31 0.00 -0.85 -2.23 0.00 0.00 178.31 175.38 1zrp n GLU 30 N -3.53 0.95 -0.59 1.11 0.00 -1.26 0.58 120.64 117.90 1zrp n GLU 30 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.16 1zrp n GLU 30 Cb 0.21 -1.15 0.28 0.00 0.00 0.00 0.00 31.44 30.78 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1zrp n GLU 31 N -0.65 3.22 -2.13 3.44 4.07 -0.25 -4.98 120.64 123.36 1zrp n GLU 31 Ca 0.07 -2.94 -0.27 0.00 -0.06 0.00 0.00 57.16 53.96 1zrp n GLU 31 Cb 0.03 -1.94 0.10 0.00 -0.06 0.00 0.00 31.44 29.57 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1zrp s LEU 32 N -2.87 2.75 0.83 4.31 1.43 0.20 -4.49 118.68 120.83 1zrp s LEU 32 Ca 0.45 0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 53.82 1zrp s LEU 32 Cb 0.37 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1zrp s LEU 32 CO 0.10 -1.87 0.25 -2.65 0.23 0.00 0.00 176.35 172.41 1zrp n PRO 33 N -3.13 0.03 0.03 1.29 -0.02 -1.26 -4.89 135.00 127.05 1zrp n PRO 33 Ca 0.10 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1zrp n PRO 33 Cb 0.60 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 32.34 1zrp n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1zrp h ASP 34 N -0.85 0.00 -0.76 2.55 3.32 -1.98 -2.41 116.42 116.29 1zrp h ASP 34 Ca -0.44 -0.09 -0.50 0.00 0.02 0.00 0.00 57.03 56.02 1zrp h ASP 34 Cb 1.32 -0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.58 1zrp h ASP 34 CO 0.37 0.09 0.07 0.47 -1.72 0.00 0.00 179.24 178.51 1zrp n ASP 35 N -5.05 5.18 -4.69 6.45 9.92 -1.26 -5.01 116.55 122.10 1zrp n ASP 35 Ca -0.07 -3.77 -0.42 0.00 -0.53 0.00 0.00 54.79 50.00 1zrp n ASP 35 Cb 0.07 -0.67 -0.03 0.00 -0.64 0.00 0.00 41.12 39.84 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1zrp s TRP 36 N -3.57 2.14 0.41 1.24 -0.00 -0.91 -4.86 118.94 113.38 1zrp s TRP 36 Ca 0.55 0.03 0.05 0.00 -0.00 0.00 0.00 56.10 56.72 1zrp s TRP 36 Cb 0.45 -4.13 -0.06 0.00 -0.00 0.00 0.00 33.47 29.73 1zrp s TRP 36 CO 0.02 -4.67 0.03 0.14 -0.00 0.00 0.00 176.95 172.47 1zrp s VAL 37 N 2.86 1.51 0.12 5.86 -7.23 -1.26 -1.64 120.40 120.61 1zrp s VAL 37 Ca 0.80 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.66 1zrp s VAL 37 Cb -0.44 -2.73 -0.08 0.00 0.56 0.00 0.00 36.38 33.69 1zrp s VAL 37 CO 0.36 0.00 1.41 0.00 -0.31 0.00 0.00 175.10 176.55 1zrp h PRO 39 N 6.78 0.00 0.00 0.00 0.13 -1.97 -1.48 132.00 135.46 1zrp h PRO 39 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1zrp h PRO 39 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1zrp h PRO 39 CO 0.87 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.75 1zrp n ILE 40 N -2.62 0.00 0.34 -3.56 -0.00 -1.26 -4.86 119.36 107.40 1zrp n ILE 40 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 62.75 62.88 1zrp n ILE 40 Cb 0.10 -0.78 0.42 0.00 -0.00 0.00 0.00 39.64 39.38 1zrp n ILE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1zrp n GLY 42 N 0.64 0.31 3.80 0.00 0.00 -0.56 -4.97 105.19 104.41 1zrp n GLY 42 Ca 0.03 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 1zrp n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrp s ALA 43 N -2.11 3.60 1.01 4.61 0.00 -1.26 -4.53 121.76 123.08 1zrp s ALA 43 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 1zrp s ALA 43 Cb -0.00 -2.58 0.05 0.00 0.00 0.00 0.00 23.12 20.59 1zrp s ALA 43 CO 0.00 0.36 0.22 -0.35 0.00 0.00 0.00 175.76 175.99 1zrp n PRO 44 N 2.04 -0.70 0.09 0.00 -0.04 -1.26 0.59 135.00 135.71 1zrp n PRO 44 Ca -0.11 -0.17 0.07 0.00 -0.04 0.00 0.00 63.50 63.25 1zrp n PRO 44 Cb 0.51 -1.77 0.34 0.00 -0.04 0.00 0.00 33.50 32.54 1zrp n PRO 44 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1zrp n LYS 45 N -1.65 0.08 0.22 0.54 -0.00 -0.65 0.58 118.16 117.29 1zrp n LYS 45 Ca 0.04 0.55 0.10 0.00 -0.00 0.00 0.00 58.31 59.01 1zrp n LYS 45 Cb 0.57 -1.75 0.46 0.00 -0.00 0.00 0.00 35.03 34.31 1zrp n LYS 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1zrp h SER 46 N 0.00 0.00 -0.44 -5.58 0.87 -1.87 -1.10 113.55 105.43 1zrp h SER 46 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1zrp h SER 46 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1zrp h SER 46 CO 0.00 0.21 0.00 -0.62 -0.53 0.00 0.00 176.83 175.89 1zrp n GLU 47 N -3.36 2.34 -3.79 2.24 -0.58 0.20 -4.83 120.64 112.85 1zrp n GLU 47 Ca 0.00 -1.72 -0.37 0.00 -0.42 0.00 0.00 57.16 54.66 1zrp n GLU 47 Cb 0.43 -1.48 -0.13 0.00 -0.57 0.00 0.00 31.44 29.69 1zrp n GLU 47 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1zrp s PHE 48 N -1.53 3.12 0.73 -0.32 0.40 -0.42 -2.13 117.98 117.84 1zrp s PHE 48 Ca 0.31 -0.98 -0.09 0.00 -0.60 0.00 0.00 56.93 55.58 1zrp s PHE 48 Cb 0.18 -2.22 0.06 0.00 0.51 0.00 0.00 43.02 41.55 1zrp s PHE 48 CO 0.19 -0.57 1.07 -1.21 0.70 0.00 0.00 175.22 175.40 1zrp s GLU 49 N 1.49 2.19 0.12 0.44 2.02 0.20 -4.86 118.70 120.30 1zrp s GLU 49 Ca 0.03 -0.08 0.05 0.00 0.02 0.00 0.00 54.97 54.98 1zrp s GLU 49 Cb -0.17 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 1zrp s GLU 49 CO 0.01 -1.32 0.07 -1.59 0.02 0.00 0.00 175.26 172.45 1zrp s LYS 50 N -5.35 2.74 -0.48 1.61 -2.85 -1.26 -0.12 119.74 114.03 1zrp s LYS 50 Ca 0.60 -0.84 0.03 0.00 -1.00 0.00 0.00 55.97 54.76 1zrp s LYS 50 Cb -0.11 -2.60 0.63 0.00 -2.06 0.00 0.00 37.83 33.69 1zrp s LYS 50 CO 0.47 0.52 1.93 -0.11 0.10 0.00 0.00 175.35 178.25 1zrp n LEU 51 N 0.16 6.85 -0.11 2.77 7.94 -0.90 -4.32 117.00 129.39 1zrp n LEU 51 Ca -0.09 -3.69 -0.16 0.00 -1.11 0.00 0.00 56.01 50.96 1zrp n LEU 51 Cb 0.53 -0.86 -0.10 0.00 0.53 0.00 0.00 43.42 43.53 1zrp n LEU 51 CO 0.42 1.10 -1.20 -0.62 -1.11 0.00 0.00 177.39 175.98 1zrp n GLU 52 N -1.10 0.52 0.00 1.96 1.02 -1.26 -4.88 120.64 116.90 1zrp n GLU 52 Ca 0.60 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1zrp n GLU 52 Cb 1.53 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.54 1zrp n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91