#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 2.87 0.44 0.00 -2.85 -1.26 -1.95 119.74 116.99 1zrp s LYS 2 Ca 0.00 -0.80 0.08 0.00 -1.00 0.00 0.00 55.97 54.25 1zrp s LYS 2 Cb 0.00 -2.33 0.02 0.00 -2.06 0.00 0.00 37.83 33.47 1zrp s LYS 2 CO 0.00 -0.02 0.60 -1.58 0.10 0.00 0.00 175.35 174.45 1zrp s TRP 3 N 0.83 2.59 0.07 1.78 0.52 0.19 -1.77 118.94 123.15 1zrp s TRP 3 Ca -0.07 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 55.60 1zrp s TRP 3 Cb -0.15 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.78 1zrp s TRP 3 CO -0.02 -0.53 -0.05 0.54 0.02 0.00 0.00 176.95 176.91 1zrp s VAL 4 N -2.40 0.46 -0.26 4.03 0.11 0.19 0.35 120.40 122.89 1zrp s VAL 4 Ca 0.56 -1.64 -0.22 0.00 -2.93 0.00 0.00 61.98 57.75 1zrp s VAL 4 Cb -0.09 -1.29 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1zrp s VAL 4 CO 0.34 -0.78 0.71 0.00 -3.33 0.00 0.00 175.10 172.04 1zrp n LYS 6 N 5.88 2.13 0.00 0.00 3.00 -0.85 -1.60 118.16 126.72 1zrp n LYS 6 Ca 0.02 -1.13 0.00 0.00 -0.00 0.00 0.00 58.31 57.20 1zrp n LYS 6 Cb 0.48 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.97 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 0.28 0.00 0.04 3.15 -0.00 -1.26 -4.90 119.36 116.68 1zrp n ILE 7 Ca 0.10 0.03 -0.08 0.00 -0.00 0.00 0.00 62.75 62.79 1zrp n ILE 7 Cb 0.45 -0.99 -0.13 0.00 -0.00 0.00 0.00 39.64 38.97 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 1.43 0.96 3.73 0.00 0.00 -0.63 -5.07 105.19 105.61 1zrp n GLY 9 Ca -0.05 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 2.39 0.06 1.61 5.04 -1.26 -4.78 117.35 118.41 1zrp s TYR 10 Ca 0.00 1.36 0.07 0.00 -2.44 0.00 0.00 57.07 56.06 1zrp s TYR 10 Cb 0.00 -3.12 -0.03 0.00 0.35 0.00 0.00 41.96 39.16 1zrp s TYR 10 CO 0.00 -2.20 -0.18 0.42 -1.34 0.00 0.00 175.55 172.24 1zrp s ILE 11 N -2.92 1.46 -0.31 3.14 -1.09 -1.26 0.60 121.20 120.82 1zrp s ILE 11 Ca 0.63 -1.23 -0.07 0.00 -2.23 0.00 0.00 60.65 57.75 1zrp s ILE 11 Cb -0.18 -1.31 0.02 0.00 -1.58 0.00 0.00 42.46 39.41 1zrp s ILE 11 CO 0.57 0.05 0.09 -0.47 -1.23 0.00 0.00 174.94 173.95 1zrp s TYR 12 N -0.94 3.19 -0.42 3.97 5.04 0.16 -4.95 117.35 123.39 1zrp s TYR 12 Ca 0.05 -1.14 -0.17 0.00 -2.44 0.00 0.00 57.07 53.36 1zrp s TYR 12 Cb -0.09 -2.26 0.02 0.00 0.35 0.00 0.00 41.96 39.98 1zrp s TYR 12 CO 0.02 -0.64 0.43 0.34 -1.34 0.00 0.00 175.55 174.37 1zrp s ASP 13 N 1.46 6.19 0.36 4.32 -1.08 -1.26 0.57 116.67 127.23 1zrp s ASP 13 Ca 0.01 -0.71 0.11 0.00 -0.52 0.00 0.00 52.55 51.45 1zrp s ASP 13 Cb -0.18 -2.22 0.68 0.00 -1.46 0.00 0.00 42.92 39.74 1zrp s ASP 13 CO 0.03 -0.58 1.81 -0.33 0.52 0.00 0.00 175.17 176.62 1zrp h GLU 14 N 8.73 0.06 0.00 4.34 5.08 -1.66 -0.69 114.58 130.44 1zrp h GLU 14 Ca -0.26 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1zrp h GLU 14 Cb 1.11 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1zrp h GLU 14 CO 0.79 0.41 0.00 0.22 -1.00 0.00 0.00 179.01 179.44 1zrp h ASP 15 N 0.06 0.00 1.38 1.42 1.82 -1.83 -2.26 116.42 117.01 1zrp h ASP 15 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1zrp h ASP 15 Cb 0.66 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.67 1zrp h ASP 15 CO 0.05 0.00 -0.60 0.00 -1.61 0.00 0.00 179.24 177.08 1zrp h ALA 16 N 2.05 0.70 -0.77 -0.78 0.00 -1.66 -3.39 119.26 115.41 1zrp h ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zrp h ALA 16 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1zrp h ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1zrp n GLY 17 N 1.15 2.52 2.69 0.00 0.00 -0.36 -4.40 105.19 106.79 1zrp n GLY 17 Ca 0.02 -0.43 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 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 2.64 -1.72 -0.00 1.61 2.03 -0.90 -4.59 116.55 115.62 1zrp n ASP 18 Ca 0.00 -2.61 0.23 0.00 0.52 0.00 0.00 54.79 52.93 1zrp n ASP 18 Cb 0.00 1.45 0.69 0.00 -0.72 0.00 0.00 41.12 42.54 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 2.61 0.00 -0.70 -0.67 0.13 -1.55 0.73 132.00 132.55 1zrp h PRO 19 Ca -0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1zrp h PRO 19 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1zrp h PRO 19 CO 0.05 0.00 0.36 -0.44 -0.23 0.00 0.00 178.00 177.74 1zrp h ASP 20 N 0.00 0.88 0.00 1.44 5.19 -1.95 -2.45 116.42 119.53 1zrp h ASP 20 Ca 0.28 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1zrp h ASP 20 Cb 1.53 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1zrp h ASP 20 CO -0.00 0.73 -0.00 0.59 -3.12 0.00 0.00 179.24 177.43 1zrp n ASN 21 N -4.35 2.33 -1.05 6.45 3.02 -0.39 -4.98 115.26 116.28 1zrp n ASN 21 Ca 0.07 -3.07 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 1zrp n ASN 21 Cb 0.12 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.42 0.74 2.94 7.41 0.00 -0.66 -5.05 105.19 109.14 1zrp n GLY 22 Ca 0.16 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.72 0.41 0.10 -0.61 1.09 0.11 -4.91 121.20 114.67 1zrp s ILE 23 Ca 0.00 -0.18 -0.16 0.00 -1.10 0.00 0.00 60.65 59.21 1zrp s ILE 23 Cb 0.00 -0.37 -0.07 0.00 -1.06 0.00 0.00 42.46 40.96 1zrp s ILE 23 CO 0.00 0.14 0.54 -0.44 -0.10 0.00 0.00 174.94 175.07 1zrp s SER 24 N 0.14 6.90 -0.84 3.58 0.01 -1.26 -1.68 113.70 120.55 1zrp s SER 24 Ca -0.01 1.12 -0.23 0.00 1.31 0.00 0.00 55.95 58.14 1zrp s SER 24 Cb -0.05 -2.31 -0.18 0.00 0.21 0.00 0.00 66.02 63.69 1zrp s SER 24 CO -0.00 0.19 2.27 -0.81 0.41 0.00 0.00 173.24 175.30 1zrp n PRO 25 N 1.22 0.38 0.00 12.44 -0.05 -1.26 -1.36 135.00 146.37 1zrp n PRO 25 Ca -0.08 -0.86 0.00 0.00 -0.05 0.00 0.00 63.50 62.51 1zrp n PRO 25 Cb 0.51 -3.28 0.00 0.00 -0.05 0.00 0.00 33.50 30.69 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1zrp n GLY 26 N 6.42 0.50 3.82 0.55 0.00 -0.96 -4.89 105.19 110.64 1zrp n GLY 26 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.59 3.87 0.46 2.61 2.01 -0.46 -5.01 115.64 118.51 1zrp s THR 27 Ca 0.00 0.61 0.07 0.00 0.31 0.00 0.00 61.69 62.67 1zrp s THR 27 Cb 0.00 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 1zrp s THR 27 CO 0.00 -0.79 0.29 -1.59 -0.69 0.00 0.00 174.62 171.83 1zrp s LYS 28 N -5.07 2.31 0.03 4.92 -2.85 -1.26 -4.65 119.74 113.16 1zrp s LYS 28 Ca 0.58 -1.84 -0.20 0.00 -1.00 0.00 0.00 55.97 53.51 1zrp s LYS 28 Cb -0.14 -2.10 -0.11 0.00 -2.06 0.00 0.00 37.83 33.42 1zrp s LYS 28 CO 0.55 -0.29 1.22 0.35 0.10 0.00 0.00 175.35 177.28 1zrp h PHE 29 N 1.13 -0.67 0.00 1.78 3.57 -1.98 -1.04 116.94 119.72 1zrp h PHE 29 Ca -0.41 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1zrp h PHE 29 Cb 1.27 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.23 1zrp h PHE 29 CO 0.74 -0.42 0.00 0.39 -2.23 0.00 0.00 178.31 176.79 1zrp n GLU 30 N -4.07 0.94 -0.66 1.11 4.71 -1.26 0.44 120.64 121.85 1zrp n GLU 30 Ca -0.09 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.10 1zrp n GLU 30 Cb 0.28 -1.08 0.28 0.00 -1.01 0.00 0.00 31.44 29.92 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1zrp n GLU 31 N -0.58 3.23 -2.08 3.49 4.07 -0.44 -4.97 120.64 123.35 1zrp n GLU 31 Ca 0.04 -2.98 -0.28 0.00 -0.06 0.00 0.00 57.16 53.87 1zrp n GLU 31 Cb 0.02 -1.98 0.06 0.00 -0.06 0.00 0.00 31.44 29.48 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 -2.91 2.89 0.81 4.31 1.43 0.17 -4.65 118.68 120.73 1zrp s LEU 32 Ca 0.47 0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 54.24 1zrp s LEU 32 Cb 0.38 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1zrp s LEU 32 CO 0.10 -1.43 0.33 -0.81 0.23 0.00 0.00 176.35 174.77 1zrp n PRO 33 N -2.94 0.08 0.02 1.29 -0.04 -1.26 -4.92 135.00 127.23 1zrp n PRO 33 Ca 0.07 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 1zrp n PRO 33 Cb 0.59 -1.72 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1zrp n PRO 33 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1zrp h ASP 34 N -0.78 0.03 -0.86 3.54 5.19 -1.99 -2.23 116.42 119.33 1zrp h ASP 34 Ca -0.44 -0.09 -0.50 0.00 -0.62 0.00 0.00 57.03 55.37 1zrp h ASP 34 Cb 1.33 -0.01 -0.27 0.00 0.18 0.00 0.00 39.33 40.56 1zrp h ASP 34 CO 0.38 0.12 0.48 -0.67 -3.12 0.00 0.00 179.24 176.43 1zrp n ASP 35 N -5.02 4.60 -4.61 6.45 -0.08 -1.26 -4.91 116.55 111.72 1zrp n ASP 35 Ca -0.07 -3.70 -0.43 0.00 -1.51 0.00 0.00 54.79 49.08 1zrp n ASP 35 Cb 0.07 -0.81 -0.03 0.00 2.34 0.00 0.00 41.12 42.70 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1zrp s TRP 36 N -3.45 1.59 0.35 -0.67 -0.00 -0.84 -4.98 118.94 110.94 1zrp s TRP 36 Ca 0.56 0.53 0.02 0.00 -0.00 0.00 0.00 56.10 57.22 1zrp s TRP 36 Cb 0.47 -4.05 0.02 0.00 -0.00 0.00 0.00 33.47 29.91 1zrp s TRP 36 CO 0.05 -3.48 0.17 1.33 -0.00 0.00 0.00 176.95 175.02 1zrp n VAL 37 N 7.35 0.00 -1.87 5.86 0.24 -1.26 -1.88 118.33 126.77 1zrp n VAL 37 Ca 0.25 -1.48 -0.42 0.00 -2.04 0.00 0.00 64.34 60.65 1zrp n VAL 37 Cb 0.46 -0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 1zrp n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1zrp n PRO 39 N 6.16 0.04 0.00 0.00 -0.04 -1.26 -1.64 135.00 138.26 1zrp n PRO 39 Ca 0.17 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1zrp n PRO 39 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1zrp n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1zrp n ILE 40 N -1.31 0.00 0.14 0.52 2.08 -1.26 -4.85 119.36 114.68 1zrp n ILE 40 Ca 0.01 0.08 0.10 0.00 0.56 0.00 0.00 62.75 63.51 1zrp n ILE 40 Cb 0.03 -0.93 0.05 0.00 -0.75 0.00 0.00 39.64 38.04 1zrp n ILE 40 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1zrp n GLY 42 N 1.18 0.57 3.63 0.00 0.00 -0.65 -5.00 105.19 104.92 1zrp n GLY 42 Ca 0.01 -0.74 -0.43 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 -2.00 3.49 1.01 4.61 0.00 -1.26 -4.57 121.76 123.05 1zrp s ALA 43 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.69 1zrp s ALA 43 Cb 0.00 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1zrp s ALA 43 CO 0.00 -1.47 0.01 -2.30 0.00 0.00 0.00 175.76 172.00 1zrp n PRO 44 N 6.81 -0.66 0.00 0.00 -0.02 -1.26 -0.26 135.00 139.61 1zrp n PRO 44 Ca 0.11 -0.17 0.02 0.00 -2.02 0.00 0.00 63.50 61.45 1zrp n PRO 44 Cb 0.47 -1.65 0.10 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.05 0.03 -0.56 -0.52 2.85 -0.79 -1.42 118.16 116.70 1zrp n LYS 45 Ca 0.03 0.33 0.04 0.00 -1.05 0.00 0.00 58.31 57.67 1zrp n LYS 45 Cb 0.58 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.72 1zrp n LYS 45 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1zrp n SER 46 N -1.39 3.98 -1.09 -5.58 3.41 -1.26 -1.69 113.62 109.99 1zrp n SER 46 Ca 0.02 -2.58 0.04 0.00 -0.26 0.00 0.00 58.87 56.08 1zrp n SER 46 Cb 0.04 -0.62 0.05 0.00 -0.26 0.00 0.00 64.21 63.43 1zrp n SER 46 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1zrp n GLU 47 N 0.40 0.33 -3.58 4.33 4.71 -0.51 -5.03 120.64 121.27 1zrp n GLU 47 Ca 0.17 -2.06 -0.39 0.00 -0.01 0.00 0.00 57.16 54.88 1zrp n GLU 47 Cb 0.85 -0.44 -0.11 0.00 -1.01 0.00 0.00 31.44 30.73 1zrp n GLU 47 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1zrp s PHE 48 N -0.68 3.21 0.55 -0.32 0.40 -0.68 -2.00 117.98 118.45 1zrp s PHE 48 Ca 0.28 -0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.26 1zrp s PHE 48 Cb 0.31 -2.41 -0.06 0.00 0.51 0.00 0.00 43.02 41.36 1zrp s PHE 48 CO -0.11 -0.33 0.99 -2.00 0.70 0.00 0.00 175.22 174.47 1zrp s GLU 49 N 1.70 3.81 -0.27 0.44 2.56 0.20 -4.83 118.70 122.31 1zrp s GLU 49 Ca 0.06 0.84 -0.08 0.00 0.00 0.00 0.00 54.97 55.79 1zrp s GLU 49 Cb -0.17 -2.13 -0.02 0.00 2.00 0.00 0.00 34.13 33.81 1zrp s GLU 49 CO 0.09 -0.37 0.10 -1.59 -0.56 0.00 0.00 175.26 172.94 1zrp s LYS 50 N -4.48 3.57 -0.63 4.30 0.00 -1.26 0.57 119.74 121.81 1zrp s LYS 50 Ca 0.57 -0.55 0.02 0.00 0.00 0.00 0.00 55.97 56.02 1zrp s LYS 50 Cb -0.10 -3.42 0.38 0.00 0.00 0.00 0.00 37.83 34.69 1zrp s LYS 50 CO 0.40 -0.26 1.43 -0.11 0.00 0.00 0.00 175.35 176.80 1zrp n LEU 51 N 4.95 5.76 0.16 2.77 0.00 -0.73 -4.86 117.00 125.04 1zrp n LEU 51 Ca -0.15 -5.18 0.04 0.00 0.00 0.00 0.00 56.01 50.72 1zrp n LEU 51 Cb 0.51 -0.72 0.47 0.00 0.00 0.00 0.00 43.42 43.68 1zrp n LEU 51 CO 0.32 2.09 0.96 1.05 0.00 0.00 0.00 177.39 181.81 1zrp h GLU 52 N 2.89 0.17 -0.01 1.96 9.09 -1.94 -3.39 114.58 123.35 1zrp h GLU 52 Ca 0.38 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.76 1zrp h GLU 52 Cb 0.54 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 1zrp h GLU 52 CO 1.05 0.25 0.00 -0.25 0.05 0.00 0.00 179.01 180.12