#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 1.99 0.19 0.00 3.01 -1.26 -2.11 119.74 121.56 1zrp s LYS 2 Ca 0.00 -0.74 0.11 0.00 -1.01 0.00 0.00 55.97 54.33 1zrp s LYS 2 Cb 0.00 -1.76 -0.04 0.00 -1.01 0.00 0.00 37.83 35.01 1zrp s LYS 2 CO 0.00 0.35 -0.24 -1.58 0.51 0.00 0.00 175.35 174.39 1zrp s TRP 3 N -0.18 2.28 0.18 3.18 0.52 0.11 -2.14 118.94 122.90 1zrp s TRP 3 Ca -0.00 -0.36 0.10 0.00 0.02 0.00 0.00 56.10 55.85 1zrp s TRP 3 Cb -0.11 -1.13 -0.04 0.00 -1.15 0.00 0.00 33.47 31.03 1zrp s TRP 3 CO 0.02 0.49 -0.20 0.54 0.02 0.00 0.00 176.95 177.81 1zrp s VAL 4 N -1.66 2.04 -0.31 4.03 0.11 0.44 0.56 120.40 125.61 1zrp s VAL 4 Ca 0.20 -1.98 -0.25 0.00 -2.93 0.00 0.00 61.98 57.03 1zrp s VAL 4 Cb -0.08 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 32.81 1zrp s VAL 4 CO 0.10 -0.24 0.86 0.00 -3.33 0.00 0.00 175.10 172.48 1zrp n LYS 6 N 6.39 2.60 0.00 0.00 0.00 -0.92 -1.59 118.16 124.64 1zrp n LYS 6 Ca 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 58.31 56.93 1zrp n LYS 6 Cb 0.48 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 33.79 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 0.36 0.00 0.07 3.15 -0.00 -1.26 -4.87 119.36 116.81 1zrp n ILE 7 Ca 0.13 0.01 -0.06 0.00 -0.00 0.00 0.00 62.75 62.83 1zrp n ILE 7 Cb 0.60 -0.92 -0.10 0.00 -0.00 0.00 0.00 39.64 39.22 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 1.32 1.51 3.89 0.00 0.00 -0.62 -5.09 105.19 106.19 1zrp n GLY 9 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 2.90 0.00 1.61 5.04 -1.25 -4.85 117.35 118.81 1zrp s TYR 10 Ca 0.00 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 1zrp s TYR 10 Cb 0.00 -3.50 -0.00 0.00 0.35 0.00 0.00 41.96 38.81 1zrp s TYR 10 CO 0.00 -1.84 -0.01 0.42 -1.34 0.00 0.00 175.55 172.78 1zrp s ILE 11 N -3.56 0.05 -0.29 3.14 1.09 -1.26 0.58 121.20 120.95 1zrp s ILE 11 Ca 0.62 -0.23 -0.09 0.00 -1.10 0.00 0.00 60.65 59.85 1zrp s ILE 11 Cb -0.11 -0.09 -0.02 0.00 -1.06 0.00 0.00 42.46 41.18 1zrp s ILE 11 CO 0.49 -0.11 0.14 -0.47 -0.10 0.00 0.00 174.94 174.89 1zrp s TYR 12 N -0.35 3.16 -0.32 3.97 5.04 0.19 -4.95 117.35 124.10 1zrp s TYR 12 Ca -0.04 -0.42 -0.10 0.00 -2.44 0.00 0.00 57.07 54.08 1zrp s TYR 12 Cb -0.02 -2.33 -0.00 0.00 0.35 0.00 0.00 41.96 39.95 1zrp s TYR 12 CO -0.00 -0.38 0.15 0.34 -1.34 0.00 0.00 175.55 174.32 1zrp s ASP 13 N 1.64 5.55 0.53 4.32 -1.08 -1.26 0.08 116.67 126.45 1zrp s ASP 13 Ca 0.05 -0.57 0.31 0.00 -0.52 0.00 0.00 52.55 51.82 1zrp s ASP 13 Cb -0.16 -2.00 1.46 0.00 -1.46 0.00 0.00 42.92 40.76 1zrp s ASP 13 CO 0.06 -0.21 2.05 -0.33 0.52 0.00 0.00 175.17 177.26 1zrp h GLU 14 N 8.35 0.00 0.00 4.34 5.08 -1.70 0.47 114.58 131.12 1zrp h GLU 14 Ca -0.31 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1zrp h GLU 14 Cb 1.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1zrp h GLU 14 CO 0.62 0.10 -0.14 0.22 -1.00 0.00 0.00 179.01 178.80 1zrp h ASP 15 N 0.00 0.00 0.10 1.42 3.58 -1.87 0.47 116.42 120.11 1zrp h ASP 15 Ca -0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 1zrp h ASP 15 Cb 0.41 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 1zrp h ASP 15 CO 0.01 0.14 -1.74 0.00 -2.88 0.00 0.00 179.24 174.77 1zrp h ALA 16 N 1.86 0.34 0.00 -0.78 0.00 -0.43 -3.39 119.26 116.86 1zrp h ALA 16 Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1zrp h ALA 16 Cb 0.28 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1zrp h ALA 16 CO 0.02 1.09 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1zrp n GLY 17 N 1.83 -1.22 2.71 0.00 0.00 -0.66 -3.78 105.19 104.07 1zrp n GLY 17 Ca -0.31 -1.43 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 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 0.23 -2.06 0.11 1.61 2.03 -0.79 -4.67 116.55 113.01 1zrp n ASP 18 Ca 0.00 -3.06 0.06 0.00 0.52 0.00 0.00 54.79 52.31 1zrp n ASP 18 Cb 0.00 1.54 0.33 0.00 -0.72 0.00 0.00 41.12 42.27 1zrp n ASP 18 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1zrp n PRO 19 N 0.03 0.08 0.19 -0.67 -0.04 -1.09 0.59 135.00 134.09 1zrp n PRO 19 Ca 0.01 0.54 0.07 0.00 -0.04 0.00 0.00 63.50 64.08 1zrp n PRO 19 Cb 0.75 -1.89 0.31 0.00 -0.04 0.00 0.00 33.50 32.64 1zrp n PRO 19 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1zrp h ASP 20 N 0.00 0.00 -0.15 3.54 3.58 -1.95 -1.58 116.42 119.87 1zrp h ASP 20 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1zrp h ASP 20 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1zrp h ASP 20 CO 0.00 0.34 0.00 0.59 -2.88 0.00 0.00 179.24 177.29 1zrp n ASN 21 N -3.41 2.76 -2.31 2.28 3.02 0.20 -4.99 115.26 112.81 1zrp n ASN 21 Ca 0.00 -2.51 -0.08 0.00 -0.03 0.00 0.00 54.58 51.96 1zrp n ASN 21 Cb 0.53 -0.29 0.04 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.49 -0.04 3.50 7.41 0.00 -0.09 -5.03 105.19 110.45 1zrp n GLY 22 Ca 0.12 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.19 3.07 -0.00 -0.61 1.09 -0.26 -4.89 121.20 116.41 1zrp s ILE 23 Ca 0.09 -0.97 -0.08 0.00 -1.10 0.00 0.00 60.65 58.58 1zrp s ILE 23 Cb -0.01 -2.29 -0.05 0.00 -1.06 0.00 0.00 42.46 39.05 1zrp s ILE 23 CO 0.38 0.41 0.29 -0.44 -0.10 0.00 0.00 174.94 175.48 1zrp s SER 24 N -1.27 6.55 -0.83 3.58 0.01 -1.26 -1.89 113.70 118.58 1zrp s SER 24 Ca 0.15 0.64 -0.22 0.00 1.31 0.00 0.00 55.95 57.83 1zrp s SER 24 Cb -0.11 -2.12 -0.19 0.00 0.21 0.00 0.00 66.02 63.81 1zrp s SER 24 CO 0.05 0.28 2.36 -2.65 0.41 0.00 0.00 173.24 173.68 1zrp n PRO 25 N 1.33 0.43 0.00 12.44 -0.02 -1.25 -0.84 135.00 147.09 1zrp n PRO 25 Ca -0.12 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.81 1zrp n PRO 25 Cb 0.53 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 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 6.40 0.81 3.91 -1.23 0.00 0.16 -4.87 105.19 110.37 1zrp n GLY 26 Ca 0.52 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.89 4.95 0.23 2.61 2.01 -0.02 -5.02 115.64 119.51 1zrp s THR 27 Ca 0.00 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.14 1zrp s THR 27 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1zrp s THR 27 CO 0.00 -0.77 0.20 -0.54 -0.69 0.00 0.00 174.62 172.82 1zrp s LYS 28 N -4.60 2.98 0.02 4.92 1.02 -1.26 -4.70 119.74 118.12 1zrp s LYS 28 Ca 0.46 -0.98 -0.14 0.00 0.02 0.00 0.00 55.97 55.33 1zrp s LYS 28 Cb -0.10 -2.62 -0.08 0.00 -0.52 0.00 0.00 37.83 34.52 1zrp s LYS 28 CO 0.42 0.42 1.12 0.35 -0.92 0.00 0.00 175.35 176.75 1zrp h PHE 29 N 1.65 -0.46 0.00 3.18 3.57 -1.97 0.28 116.94 123.18 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 1.23 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1zrp h PHE 29 CO 0.55 -0.29 0.00 -0.85 -2.23 0.00 0.00 178.31 175.49 1zrp n GLU 30 N -3.44 0.95 -0.63 1.11 0.28 -1.26 0.25 120.64 117.90 1zrp n GLU 30 Ca -0.06 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.01 1zrp n GLU 30 Cb 0.20 -1.17 0.31 0.00 1.43 0.00 0.00 31.44 32.20 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1zrp n GLU 31 N -0.67 3.58 -2.16 3.44 4.07 -0.19 -4.97 120.64 123.73 1zrp n GLU 31 Ca 0.08 -2.97 -0.26 0.00 -0.06 0.00 0.00 57.16 53.94 1zrp n GLU 31 Cb 0.04 -2.00 0.09 0.00 -0.06 0.00 0.00 31.44 29.50 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 -2.84 2.78 0.98 4.31 1.43 0.14 -4.44 118.68 121.03 1zrp s LEU 32 Ca 0.47 0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.85 1zrp s LEU 32 Cb 0.37 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 43.64 1zrp s LEU 32 CO 0.11 -1.77 0.12 -2.65 0.23 0.00 0.00 176.35 172.39 1zrp n PRO 33 N -3.05 -0.39 0.18 1.29 -0.02 -1.26 -4.89 135.00 126.85 1zrp n PRO 33 Ca 0.09 -0.08 -0.14 0.00 -2.02 0.00 0.00 63.50 61.35 1zrp n PRO 33 Cb 0.60 -1.68 -0.08 0.00 -0.02 0.00 0.00 33.50 32.32 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 -1.52 -0.34 -1.02 2.55 3.32 -1.98 -2.36 116.42 115.06 1zrp h ASP 34 Ca -0.45 -0.05 -0.65 0.00 0.02 0.00 0.00 57.03 55.90 1zrp h ASP 34 Cb 1.30 0.09 -0.32 0.00 0.22 0.00 0.00 39.33 40.61 1zrp h ASP 34 CO 0.33 -0.16 0.47 0.47 -1.72 0.00 0.00 179.24 178.63 1zrp n ASP 35 N -5.22 7.01 -4.67 6.45 9.92 -1.26 -5.01 116.55 123.78 1zrp n ASP 35 Ca -0.10 -3.78 -0.42 0.00 -0.53 0.00 0.00 54.79 49.96 1zrp n ASP 35 Cb 0.21 -0.83 -0.03 0.00 -0.64 0.00 0.00 41.12 39.83 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 -3.79 1.65 0.47 1.24 -0.00 -0.89 -4.84 118.94 112.78 1zrp s TRP 36 Ca 0.61 -0.23 0.03 0.00 -0.00 0.00 0.00 56.10 56.51 1zrp s TRP 36 Cb 0.48 -4.17 -0.04 0.00 -0.00 0.00 0.00 33.47 29.74 1zrp s TRP 36 CO -0.03 -5.09 0.01 0.14 -0.00 0.00 0.00 176.95 171.99 1zrp s VAL 37 N 3.87 1.44 -0.07 5.86 -7.23 -1.26 -1.40 120.40 121.61 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 -0.42 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1zrp s VAL 37 CO 0.38 0.00 1.40 0.00 -0.31 0.00 0.00 175.10 176.57 1zrp h PRO 39 N 8.28 0.00 0.00 0.00 0.11 -1.98 -1.64 132.00 136.77 1zrp h PRO 39 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1zrp h PRO 39 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1zrp h PRO 39 CO 0.93 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.83 1zrp n ILE 40 N -3.89 0.00 0.22 4.15 -0.00 -1.26 -4.82 119.36 113.76 1zrp n ILE 40 Ca 0.16 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 63.03 1zrp n ILE 40 Cb 0.97 -0.71 0.19 0.00 -0.00 0.00 0.00 39.64 40.09 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 1.06 0.45 3.82 0.00 0.00 -0.62 -5.00 105.19 104.91 1zrp n GLY 42 Ca 0.04 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.54 3.46 0.85 4.61 0.00 -1.26 -4.67 121.76 122.21 1zrp s ALA 43 Ca 0.04 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 1zrp s ALA 43 Cb -0.02 -2.74 0.08 0.00 0.00 0.00 0.00 23.12 20.44 1zrp s ALA 43 CO 0.05 0.36 0.96 -2.30 0.00 0.00 0.00 175.76 174.83 1zrp n PRO 44 N 0.77 -0.06 0.00 0.00 -0.02 -1.26 0.57 135.00 135.00 1zrp n PRO 44 Ca -0.03 0.05 0.01 0.00 -2.02 0.00 0.00 63.50 61.51 1zrp n PRO 44 Cb 0.51 -2.25 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 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 -2.95 0.00 -0.55 -0.52 2.85 -0.49 -0.33 118.16 116.18 1zrp n LYS 45 Ca 0.11 0.46 0.05 0.00 -1.05 0.00 0.00 58.31 57.88 1zrp n LYS 45 Cb 0.51 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.65 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 -1.49 3.90 -0.33 -5.58 3.41 -1.26 -2.00 113.62 110.27 1zrp n SER 46 Ca 0.01 -2.54 0.02 0.00 -0.26 0.00 0.00 58.87 56.10 1zrp n SER 46 Cb 0.02 -0.59 0.03 0.00 -0.26 0.00 0.00 64.21 63.41 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 0.46 0.40 -3.15 4.33 -0.58 0.55 -4.99 120.64 117.66 1zrp n GLU 47 Ca 0.18 -1.30 -0.44 0.00 -0.42 0.00 0.00 57.16 55.18 1zrp n GLU 47 Cb 0.81 -0.73 -0.06 0.00 -0.57 0.00 0.00 31.44 30.89 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 -0.66 3.05 0.86 -0.32 0.40 -0.85 -2.16 117.98 118.30 1zrp s PHE 48 Ca 0.07 -0.57 -0.12 0.00 -0.60 0.00 0.00 56.93 55.71 1zrp s PHE 48 Cb 0.06 -3.57 0.11 0.00 0.51 0.00 0.00 43.02 40.13 1zrp s PHE 48 CO 0.01 -1.05 1.11 -1.21 0.70 0.00 0.00 175.22 174.78 1zrp s GLU 49 N 2.63 1.54 -0.04 0.44 2.02 0.20 -4.81 118.70 120.69 1zrp s GLU 49 Ca 0.15 0.54 -0.02 0.00 0.02 0.00 0.00 54.97 55.66 1zrp s GLU 49 Cb -0.20 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1zrp s GLU 49 CO 0.11 -1.97 0.08 -1.59 0.02 0.00 0.00 175.26 171.91 1zrp s LYS 50 N -5.16 3.11 -0.16 1.61 -2.85 -1.26 -0.42 119.74 114.62 1zrp s LYS 50 Ca 0.62 -0.41 0.11 0.00 -1.00 0.00 0.00 55.97 55.29 1zrp s LYS 50 Cb -0.15 -2.90 0.59 0.00 -2.06 0.00 0.00 37.83 33.31 1zrp s LYS 50 CO 0.54 0.68 1.42 -0.11 0.10 0.00 0.00 175.35 177.98 1zrp n LEU 51 N 1.50 4.35 -0.03 2.77 7.94 -0.91 -3.56 117.00 129.06 1zrp n LEU 51 Ca -0.15 -2.21 -0.15 0.00 -1.11 0.00 0.00 56.01 52.39 1zrp n LEU 51 Cb 0.53 -0.61 -0.12 0.00 0.53 0.00 0.00 43.42 43.75 1zrp n LEU 51 CO 0.35 0.55 0.39 -0.08 -1.11 0.00 0.00 177.39 177.49 1zrp h GLU 52 N 2.96 0.12 0.00 1.96 4.22 -1.95 -3.49 114.58 118.40 1zrp h GLU 52 Ca 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1zrp h GLU 52 Cb 1.52 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1zrp h GLU 52 CO 0.33 0.93 0.00 -0.25 -2.18 0.00 0.00 179.01 177.84