#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 2.32 0.35 0.00 -2.85 -1.26 -2.25 119.74 116.05 1zrp s LYS 2 Ca 0.00 -0.61 0.07 0.00 -1.00 0.00 0.00 55.97 54.43 1zrp s LYS 2 Cb 0.00 -1.90 -0.02 0.00 -2.06 0.00 0.00 37.83 33.85 1zrp s LYS 2 CO 0.00 0.00 0.36 -1.58 0.10 0.00 0.00 175.35 174.24 1zrp s TRP 3 N 0.79 2.91 -0.02 1.78 0.52 0.12 -2.05 118.94 122.99 1zrp s TRP 3 Ca -0.10 -0.32 -0.01 0.00 0.02 0.00 0.00 56.10 55.68 1zrp s TRP 3 Cb -0.16 -1.94 0.02 0.00 -1.15 0.00 0.00 33.47 30.24 1zrp s TRP 3 CO 0.01 0.05 0.06 0.54 0.02 0.00 0.00 176.95 177.63 1zrp s VAL 4 N -2.31 -0.02 -0.57 4.03 0.11 0.12 0.59 120.40 122.35 1zrp s VAL 4 Ca 0.44 0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 59.30 1zrp s VAL 4 Cb -0.06 -0.10 0.01 0.00 -1.53 0.00 0.00 36.38 34.70 1zrp s VAL 4 CO 0.28 0.04 1.44 0.00 -3.33 0.00 0.00 175.10 173.53 1zrp h LYS 6 N 11.27 0.00 0.08 0.00 1.79 -1.67 -2.09 116.57 125.96 1zrp h LYS 6 Ca -0.27 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1zrp h LYS 6 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1zrp h LYS 6 CO 1.18 0.00 -0.04 0.82 -1.08 0.00 0.00 179.45 180.33 1zrp h ILE 7 N 0.00 0.44 0.03 1.86 5.03 -1.88 -3.41 117.51 119.57 1zrp h ILE 7 Ca -0.00 -1.19 -0.37 0.00 -0.12 0.00 0.00 64.86 63.18 1zrp h ILE 7 Cb 0.16 0.80 -0.06 0.00 -3.03 0.00 0.00 36.82 34.69 1zrp h ILE 7 CO 0.00 0.14 -2.26 0.00 -0.68 0.00 0.00 178.15 175.35 1zrp n GLY 9 N 1.99 1.48 3.90 0.00 0.00 -0.79 -5.11 105.19 106.66 1zrp n GLY 9 Ca -0.36 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 3.53 0.44 1.61 5.04 -1.24 -4.93 117.35 119.80 1zrp s TYR 10 Ca 0.00 0.88 0.03 0.00 -2.44 0.00 0.00 57.07 55.54 1zrp s TYR 10 Cb 0.00 -2.34 -0.03 0.00 0.35 0.00 0.00 41.96 39.95 1zrp s TYR 10 CO 0.00 -0.20 0.06 0.42 -1.34 0.00 0.00 175.55 174.50 1zrp s ILE 11 N -2.58 0.99 -0.16 3.14 -1.09 -1.26 0.38 121.20 120.61 1zrp s ILE 11 Ca 0.48 -2.00 -0.07 0.00 -2.23 0.00 0.00 60.65 56.84 1zrp s ILE 11 Cb -0.10 -2.37 0.07 0.00 -1.58 0.00 0.00 42.46 38.48 1zrp s ILE 11 CO 0.40 0.00 0.36 -0.47 -1.23 0.00 0.00 174.94 173.99 1zrp s TYR 12 N -3.05 -0.60 -0.20 3.97 5.04 0.20 -4.88 117.35 117.83 1zrp s TYR 12 Ca 0.19 1.24 -0.03 0.00 -2.44 0.00 0.00 57.07 56.02 1zrp s TYR 12 Cb 0.03 0.18 -0.01 0.00 0.35 0.00 0.00 41.96 42.51 1zrp s TYR 12 CO 0.10 -0.39 -0.05 0.34 -1.34 0.00 0.00 175.55 174.21 1zrp s ASP 13 N 2.14 4.35 0.48 4.32 2.15 -1.26 0.15 116.67 129.00 1zrp s ASP 13 Ca -0.04 -0.34 0.28 0.00 0.43 0.00 0.00 52.55 52.88 1zrp s ASP 13 Cb -0.11 -1.73 0.86 0.00 -0.30 0.00 0.00 42.92 41.63 1zrp s ASP 13 CO -0.11 0.03 1.80 -0.33 -0.17 0.00 0.00 175.17 176.38 1zrp h GLU 14 N 7.75 0.00 -0.21 4.34 5.08 -1.74 0.16 114.58 129.96 1zrp h GLU 14 Ca -0.38 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.87 1zrp h GLU 14 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1zrp h GLU 14 CO 0.60 0.04 -0.34 0.22 -1.00 0.00 0.00 179.01 178.53 1zrp h ASP 15 N 0.00 0.46 0.07 1.42 3.58 -1.87 0.23 116.42 120.31 1zrp h ASP 15 Ca -0.00 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 1zrp h ASP 15 Cb 0.77 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1zrp h ASP 15 CO 0.01 0.78 -0.03 0.00 -2.88 0.00 0.00 179.24 177.11 1zrp h ALA 16 N 1.25 -0.16 0.00 -0.78 0.00 -1.65 -3.40 119.26 114.53 1zrp h ALA 16 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1zrp h ALA 16 Cb 0.78 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1zrp h ALA 16 CO 0.06 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.57 1zrp n GLY 17 N 1.46 -0.51 2.69 0.00 0.00 0.45 -3.83 105.19 105.45 1zrp n GLY 17 Ca -0.01 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.65 0.30 1.61 2.03 -0.91 -4.73 116.55 113.21 1zrp n ASP 18 Ca 0.00 -2.61 0.14 0.00 0.52 0.00 0.00 54.79 52.84 1zrp n ASP 18 Cb 0.00 0.96 0.72 0.00 -0.72 0.00 0.00 41.12 42.09 1zrp n ASP 18 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1zrp h PRO 19 N 2.19 0.00 -0.25 -0.67 0.11 -1.73 0.50 132.00 132.14 1zrp h PRO 19 Ca -0.24 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 1zrp h PRO 19 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1zrp h PRO 19 CO 0.00 0.00 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.20 1zrp h ASP 20 N 0.00 0.42 -0.19 -2.05 5.19 -1.95 -1.88 116.42 115.96 1zrp h ASP 20 Ca 0.00 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1zrp h ASP 20 Cb 0.62 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1zrp h ASP 20 CO 0.00 0.60 0.00 0.59 -3.12 0.00 0.00 179.24 177.31 1zrp n ASN 21 N -4.20 3.39 -0.91 6.45 3.02 0.17 -4.98 115.26 118.20 1zrp n ASN 21 Ca 0.00 -2.98 -0.02 0.00 -0.03 0.00 0.00 54.58 51.54 1zrp n ASN 21 Cb 0.33 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.73 0.72 3.48 7.41 0.00 -0.71 -5.04 105.19 110.31 1zrp n GLY 22 Ca 0.19 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.04 3.80 0.23 -0.61 1.09 -0.69 -4.92 121.20 117.07 1zrp s ILE 23 Ca 0.05 -0.39 -0.14 0.00 -1.10 0.00 0.00 60.65 59.07 1zrp s ILE 23 Cb -0.02 -2.67 -0.08 0.00 -1.06 0.00 0.00 42.46 38.63 1zrp s ILE 23 CO 0.08 0.49 0.64 -0.44 -0.10 0.00 0.00 174.94 175.60 1zrp s SER 24 N 0.44 6.80 -0.82 3.58 0.01 -1.26 -2.05 113.70 120.40 1zrp s SER 24 Ca -0.04 1.16 -0.23 0.00 1.31 0.00 0.00 55.95 58.15 1zrp s SER 24 Cb -0.14 -2.32 -0.17 0.00 0.21 0.00 0.00 66.02 63.59 1zrp s SER 24 CO 0.03 -0.05 2.37 -0.81 0.41 0.00 0.00 173.24 175.20 1zrp n PRO 25 N 0.20 0.47 0.00 12.44 -0.04 -1.25 -0.96 135.00 145.86 1zrp n PRO 25 Ca -0.01 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1zrp n PRO 25 Cb 0.52 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1zrp n GLY 26 N 6.58 0.78 3.79 0.55 0.00 0.81 -4.93 105.19 112.77 1zrp n GLY 26 Ca 0.50 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.87 4.34 0.38 2.61 2.01 -0.13 -5.02 115.64 118.96 1zrp s THR 27 Ca 0.00 1.63 -0.00 0.00 0.31 0.00 0.00 61.69 63.63 1zrp s THR 27 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1zrp s THR 27 CO 0.00 0.17 0.59 -0.54 -0.69 0.00 0.00 174.62 174.15 1zrp s LYS 28 N -2.02 3.40 0.02 4.92 -0.14 -1.26 -4.72 119.74 119.94 1zrp s LYS 28 Ca 0.47 -0.32 -0.14 0.00 -1.36 0.00 0.00 55.97 54.62 1zrp s LYS 28 Cb -0.18 -2.62 -0.08 0.00 -1.68 0.00 0.00 37.83 33.28 1zrp s LYS 28 CO 0.23 0.03 1.12 0.35 -0.76 0.00 0.00 175.35 176.32 1zrp h PHE 29 N 0.63 -0.48 0.00 3.18 3.57 -1.97 0.65 116.94 122.53 1zrp h PHE 29 Ca -0.49 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1zrp h PHE 29 Cb 1.22 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1zrp h PHE 29 CO 0.50 -0.30 0.00 -1.91 -2.23 0.00 0.00 178.31 174.38 1zrp n GLU 30 N -3.48 0.95 -0.42 1.11 4.07 -1.26 0.58 120.64 122.19 1zrp n GLU 30 Ca -0.06 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.12 1zrp n GLU 30 Cb 0.20 -1.18 0.25 0.00 -0.06 0.00 0.00 31.44 30.64 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1zrp n GLU 31 N -0.68 2.72 -1.69 5.31 4.07 -0.30 -4.99 120.64 125.08 1zrp n GLU 31 Ca 0.08 -2.83 -0.29 0.00 -0.06 0.00 0.00 57.16 54.06 1zrp n GLU 31 Cb 0.04 -1.81 0.12 0.00 -0.06 0.00 0.00 31.44 29.73 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 -2.85 2.21 0.79 4.31 1.43 0.21 -4.45 118.68 120.34 1zrp s LEU 32 Ca 0.41 0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 54.20 1zrp s LEU 32 Cb 0.34 -3.21 -0.07 0.00 0.03 0.00 0.00 46.19 43.28 1zrp s LEU 32 CO 0.08 -2.34 0.11 -2.65 0.23 0.00 0.00 176.35 171.78 1zrp n PRO 33 N -3.61 0.08 0.05 1.29 -0.02 -1.26 -4.89 135.00 126.63 1zrp n PRO 33 Ca 0.08 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.49 1zrp n PRO 33 Cb 0.60 -1.53 -0.08 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.68 -0.04 -0.73 2.55 5.19 -1.99 -2.41 116.42 118.31 1zrp h ASP 34 Ca -0.44 -0.07 -0.44 0.00 -0.62 0.00 0.00 57.03 55.45 1zrp h ASP 34 Cb 1.34 0.01 -0.25 0.00 0.18 0.00 0.00 39.33 40.61 1zrp h ASP 34 CO 0.37 0.05 0.24 0.47 -3.12 0.00 0.00 179.24 177.25 1zrp n ASP 35 N -5.07 4.37 -4.66 6.45 9.92 -1.26 -5.02 116.55 121.28 1zrp n ASP 35 Ca -0.08 -3.74 -0.42 0.00 -0.53 0.00 0.00 54.79 50.02 1zrp n ASP 35 Cb 0.08 -0.73 -0.03 0.00 -0.64 0.00 0.00 41.12 39.80 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 -3.45 1.55 0.31 1.24 -0.00 -0.91 -4.87 118.94 112.81 1zrp s TRP 36 Ca 0.54 -0.27 0.03 0.00 -0.00 0.00 0.00 56.10 56.40 1zrp s TRP 36 Cb 0.45 -4.17 -0.06 0.00 -0.00 0.00 0.00 33.47 29.69 1zrp s TRP 36 CO 0.03 -5.13 0.08 0.14 -0.00 0.00 0.00 176.95 172.06 1zrp s VAL 37 N 4.11 0.95 -0.04 5.86 -7.23 -1.26 -1.53 120.40 121.26 1zrp s VAL 37 Ca 0.84 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1zrp s VAL 37 Cb -0.41 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.76 1zrp s VAL 37 CO 0.38 0.00 1.53 0.00 -0.31 0.00 0.00 175.10 176.71 1zrp h PRO 39 N 8.74 0.00 0.00 0.00 0.13 -1.97 -1.68 132.00 137.22 1zrp h PRO 39 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1zrp h PRO 39 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1zrp h PRO 39 CO 0.94 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.82 1zrp n ILE 40 N -2.88 0.00 0.11 -3.56 -0.00 -1.26 -4.85 119.36 106.91 1zrp n ILE 40 Ca -0.02 0.01 0.02 0.00 -0.00 0.00 0.00 62.75 62.75 1zrp n ILE 40 Cb 0.07 -0.66 -0.01 0.00 -0.00 0.00 0.00 39.64 39.04 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 1.27 1.04 3.60 0.00 0.00 -0.63 -5.02 105.19 105.45 1zrp n GLY 42 Ca -0.01 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 3.52 1.00 4.61 0.00 -1.26 -4.65 121.76 122.97 1zrp s ALA 43 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.15 1zrp s ALA 43 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1zrp s ALA 43 CO 0.00 -1.16 -0.56 -2.30 0.00 0.00 0.00 175.76 171.74 1zrp n PRO 44 N 6.02 -0.95 0.04 0.00 -0.02 -1.26 0.57 135.00 139.39 1zrp n PRO 44 Ca 0.00 -0.27 0.03 0.00 -2.02 0.00 0.00 63.50 61.24 1zrp n PRO 44 Cb 0.49 -1.32 0.15 0.00 -0.02 0.00 0.00 33.50 32.80 1zrp n PRO 44 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1zrp n LYS 45 N 0.16 0.03 0.25 -0.52 2.85 -0.58 -1.48 118.16 118.85 1zrp n LYS 45 Ca 0.00 0.51 0.07 0.00 -1.05 0.00 0.00 58.31 57.84 1zrp n LYS 45 Cb 0.57 -1.60 0.59 0.00 -0.65 0.00 0.00 35.03 33.94 1zrp n LYS 45 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1zrp h SER 46 N 0.00 0.00 -0.62 -5.58 4.64 -1.87 -1.68 113.55 108.44 1zrp h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1zrp h SER 46 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1zrp h SER 46 CO 0.00 0.09 0.00 -0.62 -0.87 0.00 0.00 176.83 175.43 1zrp n GLU 47 N -4.39 3.68 -3.56 4.77 -0.58 -0.55 -4.71 120.64 115.29 1zrp n GLU 47 Ca -0.03 -2.75 -0.41 0.00 -0.42 0.00 0.00 57.16 53.56 1zrp n GLU 47 Cb 0.16 -1.89 -0.08 0.00 -0.57 0.00 0.00 31.44 29.06 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 -1.88 3.47 1.09 -0.32 0.40 -0.63 -1.98 117.98 118.12 1zrp s PHE 48 Ca 0.49 -2.03 -0.16 0.00 -0.60 0.00 0.00 56.93 54.63 1zrp s PHE 48 Cb 0.32 -3.49 0.23 0.00 0.51 0.00 0.00 43.02 40.60 1zrp s PHE 48 CO 0.23 -0.97 1.14 -1.21 0.70 0.00 0.00 175.22 175.11 1zrp s GLU 49 N 1.01 -0.31 -0.08 0.44 0.41 0.20 -4.71 118.70 115.66 1zrp s GLU 49 Ca 0.09 0.03 0.02 0.00 -0.41 0.00 0.00 54.97 54.69 1zrp s GLU 49 Cb -0.23 -1.69 -0.02 0.00 -1.78 0.00 0.00 34.13 30.40 1zrp s GLU 49 CO -0.02 -3.12 -0.13 0.15 -0.49 0.00 0.00 175.26 171.64 1zrp s LYS 50 N -5.39 2.86 -0.37 1.61 1.02 -1.26 0.13 119.74 118.35 1zrp s LYS 50 Ca 0.69 -0.68 -0.08 0.00 0.02 0.00 0.00 55.97 55.93 1zrp s LYS 50 Cb -0.11 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1zrp s LYS 50 CO 0.55 0.47 0.29 1.28 -0.92 0.00 0.00 175.35 177.02 1zrp n LEU 51 N 2.77 -8.02 0.00 3.17 4.77 -0.87 -4.94 117.00 113.88 1zrp n LEU 51 Ca -0.18 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 1zrp n LEU 51 Cb 0.52 -3.39 0.00 0.00 -2.33 0.00 0.00 43.42 38.23 1zrp n LEU 51 CO 0.28 -2.83 0.00 1.21 -1.33 0.00 0.00 177.39 174.72 1zrp n GLU 52 N 0.23 0.00 0.00 3.23 4.07 -1.26 -5.06 120.64 121.84 1zrp n GLU 52 Ca 0.06 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.28 1zrp n GLU 52 Cb 0.22 0.00 0.26 0.00 -0.06 0.00 0.00 31.44 31.86 1zrp n GLU 52 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67