#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 2.78 -0.16 0.00 1.02 -1.26 -1.89 119.74 120.22 1zrp s LYS 2 Ca 0.00 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.20 1zrp s LYS 2 Cb 0.00 -2.34 0.01 0.00 -0.52 0.00 0.00 37.83 34.98 1zrp s LYS 2 CO 0.00 0.38 -0.19 -1.58 -0.92 0.00 0.00 175.35 173.04 1zrp s TRP 3 N -0.14 2.75 -0.17 3.18 0.52 0.26 -2.25 118.94 123.09 1zrp s TRP 3 Ca -0.03 -1.41 -0.08 0.00 0.02 0.00 0.00 56.10 54.60 1zrp s TRP 3 Cb -0.14 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.25 1zrp s TRP 3 CO 0.04 -0.67 0.11 0.54 0.02 0.00 0.00 176.95 176.98 1zrp s VAL 4 N 1.05 5.19 -0.49 4.03 0.11 0.20 0.58 120.40 131.07 1zrp s VAL 4 Ca -0.01 0.11 -0.28 0.00 -2.93 0.00 0.00 61.98 58.87 1zrp s VAL 4 Cb -0.14 -3.33 -0.00 0.00 -1.53 0.00 0.00 36.38 31.37 1zrp s VAL 4 CO -0.06 0.49 1.63 0.00 -3.33 0.00 0.00 175.10 173.83 1zrp h LYS 6 N 12.51 0.00 0.00 0.00 1.79 -1.69 -1.81 116.57 127.37 1zrp h LYS 6 Ca -0.28 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.17 1zrp h LYS 6 Cb 1.13 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1zrp h LYS 6 CO 1.14 0.00 -0.07 0.82 -1.08 0.00 0.00 179.45 180.26 1zrp h ILE 7 N 0.00 1.12 0.00 1.86 5.03 -1.88 -3.42 117.51 120.22 1zrp h ILE 7 Ca 0.00 -1.86 -0.43 0.00 -0.12 0.00 0.00 64.86 62.45 1zrp h ILE 7 Cb 0.12 2.13 -0.07 0.00 -3.03 0.00 0.00 36.82 35.97 1zrp h ILE 7 CO 0.00 0.38 -2.42 0.00 -0.68 0.00 0.00 178.15 175.42 1zrp n GLY 9 N 1.56 0.96 3.92 0.00 0.00 -0.68 -5.12 105.19 105.84 1zrp n GLY 9 Ca -0.50 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.68 2.76 -0.12 1.61 5.04 -1.24 -4.96 117.35 118.77 1zrp s TYR 10 Ca 0.00 -0.45 -0.05 0.00 -2.44 0.00 0.00 57.07 54.14 1zrp s TYR 10 Cb 0.00 -2.22 0.06 0.00 0.35 0.00 0.00 41.96 40.15 1zrp s TYR 10 CO 0.00 -0.20 0.25 0.42 -1.34 0.00 0.00 175.55 174.68 1zrp s ILE 11 N -2.42 -0.26 0.19 3.14 1.09 -1.26 0.58 121.20 122.26 1zrp s ILE 11 Ca 0.50 0.24 -0.30 0.00 -1.10 0.00 0.00 60.65 59.99 1zrp s ILE 11 Cb -0.06 -0.41 -0.08 0.00 -1.06 0.00 0.00 42.46 40.86 1zrp s ILE 11 CO 0.30 0.10 0.95 -0.47 -0.10 0.00 0.00 174.94 175.71 1zrp s TYR 12 N 1.97 3.92 -0.23 3.97 5.04 0.20 -4.93 117.35 127.28 1zrp s TYR 12 Ca -0.03 1.87 0.02 0.00 -2.44 0.00 0.00 57.07 56.50 1zrp s TYR 12 Cb -0.11 -3.01 0.05 0.00 0.35 0.00 0.00 41.96 39.23 1zrp s TYR 12 CO -0.08 0.36 -0.13 0.34 -1.34 0.00 0.00 175.55 174.70 1zrp s ASP 13 N -0.70 3.94 0.46 4.32 2.15 -1.26 -0.58 116.67 125.00 1zrp s ASP 13 Ca 0.43 -1.13 0.31 0.00 0.43 0.00 0.00 52.55 52.59 1zrp s ASP 13 Cb -0.25 -1.46 1.60 0.00 -0.30 0.00 0.00 42.92 42.51 1zrp s ASP 13 CO 0.31 -0.14 1.95 -0.33 -0.17 0.00 0.00 175.17 176.79 1zrp h GLU 14 N 7.85 0.00 0.00 4.34 5.08 -1.61 0.63 114.58 130.88 1zrp h GLU 14 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1zrp h GLU 14 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1zrp h GLU 14 CO 0.50 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.04 1zrp n ASP 15 N -2.64 0.00 0.15 1.42 2.03 -1.26 -1.12 116.55 115.13 1zrp n ASP 15 Ca -0.01 0.68 0.07 0.00 0.52 0.00 0.00 54.79 56.05 1zrp n ASP 15 Cb 0.11 -0.20 0.56 0.00 -0.72 0.00 0.00 41.12 40.87 1zrp n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zrp h ALA 16 N -2.00 1.90 0.00 -1.67 0.00 -0.18 -1.70 119.26 115.60 1zrp h ALA 16 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1zrp h ALA 16 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1zrp h ALA 16 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1zrp n GLY 17 N -1.52 -0.64 2.58 0.00 0.00 0.14 -3.72 105.19 102.04 1zrp n GLY 17 Ca -0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 0.75 -0.38 0.33 1.61 2.03 -0.90 -4.41 116.55 115.58 1zrp n ASP 18 Ca 0.00 -2.91 0.14 0.00 0.52 0.00 0.00 54.79 52.54 1zrp n ASP 18 Cb 0.00 0.37 0.73 0.00 -0.72 0.00 0.00 41.12 41.51 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 2.72 0.00 -0.01 -0.67 0.11 -1.70 0.63 132.00 133.07 1zrp h PRO 19 Ca -0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1zrp h PRO 19 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1zrp h PRO 19 CO 0.27 0.00 0.01 0.22 -0.21 0.00 0.00 178.00 178.29 1zrp h ASP 20 N 0.00 0.01 -0.50 -2.05 3.58 -1.93 -2.18 116.42 113.35 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 0.78 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1zrp h ASP 20 CO 0.00 0.05 0.00 0.59 -2.88 0.00 0.00 179.24 177.00 1zrp n ASN 21 N -5.06 5.28 -1.73 2.28 3.02 0.20 -4.96 115.26 114.28 1zrp n ASN 21 Ca -0.07 -2.93 -0.05 0.00 -0.03 0.00 0.00 54.58 51.50 1zrp n ASN 21 Cb 0.05 -0.65 0.02 0.00 -0.61 0.00 0.00 39.78 38.59 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 0.37 0.24 3.48 7.41 0.00 0.16 -5.05 105.19 111.80 1zrp n GLY 22 Ca 0.26 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 3.15 0.22 -0.61 1.09 -0.52 -4.89 121.20 116.54 1zrp s ILE 23 Ca 0.02 -0.68 -0.29 0.00 -1.10 0.00 0.00 60.65 58.60 1zrp s ILE 23 Cb -0.00 -2.25 -0.09 0.00 -1.06 0.00 0.00 42.46 39.06 1zrp s ILE 23 CO 0.20 0.58 0.92 -0.44 -0.10 0.00 0.00 174.94 176.11 1zrp s SER 24 N -0.58 7.61 -0.84 3.58 0.01 -1.26 -2.12 113.70 120.10 1zrp s SER 24 Ca 0.08 1.90 -0.22 0.00 1.31 0.00 0.00 55.95 59.03 1zrp s SER 24 Cb -0.11 -2.59 -0.19 0.00 0.21 0.00 0.00 66.02 63.33 1zrp s SER 24 CO 0.01 0.16 2.35 -2.65 0.41 0.00 0.00 173.24 173.52 1zrp n PRO 25 N 1.56 0.42 0.00 12.44 -0.02 -1.24 -1.09 135.00 147.07 1zrp n PRO 25 Ca -0.02 -0.66 0.00 0.00 -2.02 0.00 0.00 63.50 60.79 1zrp n PRO 25 Cb 0.47 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 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 6.49 0.70 3.84 -1.23 0.00 -0.28 -4.85 105.19 109.86 1zrp n GLY 26 Ca 0.52 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.78 4.53 0.33 2.61 2.01 -0.25 -4.95 115.64 119.14 1zrp s THR 27 Ca 0.00 1.22 -0.00 0.00 0.31 0.00 0.00 61.69 63.22 1zrp s THR 27 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1zrp s THR 27 CO 0.00 -0.42 0.54 -0.54 -0.69 0.00 0.00 174.62 173.50 1zrp s LYS 28 N -3.47 3.50 0.02 4.92 1.02 -1.26 -4.52 119.74 119.95 1zrp s LYS 28 Ca 0.59 -0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.10 1zrp s LYS 28 Cb -0.10 -2.67 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 1zrp s LYS 28 CO 0.21 0.17 1.17 0.35 -0.92 0.00 0.00 175.35 176.33 1zrp h PHE 29 N 0.93 -0.56 0.00 3.18 3.57 -1.96 0.20 116.94 122.30 1zrp h PHE 29 Ca -0.49 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1zrp h PHE 29 Cb 1.21 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1zrp h PHE 29 CO 0.52 -0.35 0.00 -0.85 -2.23 0.00 0.00 178.31 175.40 1zrp n GLU 30 N -3.74 0.94 -0.55 1.11 0.00 -1.26 0.58 120.64 117.72 1zrp n GLU 30 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.15 1zrp n GLU 30 Cb 0.24 -1.11 0.27 0.00 0.00 0.00 0.00 31.44 30.84 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 -0.61 3.00 -2.11 3.44 4.07 -0.20 -4.97 120.64 123.25 1zrp n GLU 31 Ca 0.05 -2.92 -0.27 0.00 -0.06 0.00 0.00 57.16 53.96 1zrp n GLU 31 Cb 0.02 -1.90 0.06 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 -2.88 2.82 0.72 4.31 1.43 0.20 -4.49 118.68 120.79 1zrp s LEU 32 Ca 0.44 0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 54.07 1zrp s LEU 32 Cb 0.36 -3.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 1zrp s LEU 32 CO 0.09 -1.55 0.45 -0.81 0.23 0.00 0.00 176.35 174.76 1zrp n PRO 33 N -2.98 0.26 -0.04 1.29 -0.04 -1.26 -4.91 135.00 127.32 1zrp n PRO 33 Ca 0.07 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 1zrp n PRO 33 Cb 0.60 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.40 0.23 -0.79 3.54 5.19 -1.98 -2.30 116.42 119.91 1zrp h ASP 34 Ca -0.45 -0.10 -0.31 0.00 -0.62 0.00 0.00 57.03 55.55 1zrp h ASP 34 Cb 1.35 -0.06 -0.19 0.00 0.18 0.00 0.00 39.33 40.62 1zrp h ASP 34 CO 0.42 0.27 0.40 -0.67 -3.12 0.00 0.00 179.24 176.53 1zrp n ASP 35 N -4.90 4.32 -4.69 6.45 -0.08 -1.26 -4.94 116.55 111.45 1zrp n ASP 35 Ca -0.04 -3.27 -0.42 0.00 -1.51 0.00 0.00 54.79 49.55 1zrp n ASP 35 Cb 0.08 -0.77 -0.03 0.00 2.34 0.00 0.00 41.12 42.75 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 -2.92 2.20 0.27 -0.67 -0.00 -0.87 -4.86 118.94 112.09 1zrp s TRP 36 Ca 0.52 0.07 0.11 0.00 -0.00 0.00 0.00 56.10 56.80 1zrp s TRP 36 Cb 0.43 -4.11 -0.05 0.00 -0.00 0.00 0.00 33.47 29.73 1zrp s TRP 36 CO 0.12 -4.57 -0.18 0.14 -0.00 0.00 0.00 176.95 172.46 1zrp s VAL 37 N 2.79 2.29 0.02 5.86 -7.23 -1.26 -1.42 120.40 121.44 1zrp s VAL 37 Ca 0.79 -2.35 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 1zrp s VAL 37 Cb -0.44 -2.27 -0.07 0.00 0.56 0.00 0.00 36.38 34.16 1zrp s VAL 37 CO 0.35 -0.42 1.69 0.00 -0.31 0.00 0.00 175.10 176.41 1zrp h PRO 39 N 9.08 0.00 0.00 0.00 0.13 -1.98 -1.69 132.00 137.54 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 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 -3.01 0.00 0.14 -3.56 -0.00 -1.26 -4.84 119.36 106.82 1zrp n ILE 40 Ca -0.03 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.77 1zrp n ILE 40 Cb 0.08 -0.67 0.03 0.00 -0.00 0.00 0.00 39.64 39.08 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 1.22 0.87 3.83 0.00 0.00 -0.64 -5.03 105.19 105.45 1zrp n GLY 42 Ca 0.01 -0.60 -0.38 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 -2.52 3.65 0.97 4.61 0.00 -1.26 -4.72 121.76 122.48 1zrp s ALA 43 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.69 1zrp s ALA 43 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1zrp s ALA 43 CO 0.00 0.46 0.14 -2.30 0.00 0.00 0.00 175.76 174.06 1zrp n PRO 44 N 1.67 -0.28 0.01 0.00 -0.02 -1.26 0.59 135.00 135.71 1zrp n PRO 44 Ca -0.12 -0.05 0.01 0.00 -2.02 0.00 0.00 63.50 61.33 1zrp n PRO 44 Cb 0.52 -1.68 0.06 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.86 0.01 -0.62 -0.52 2.85 -0.51 0.12 118.16 118.63 1zrp n LYS 45 Ca 0.05 0.49 0.04 0.00 -1.05 0.00 0.00 58.31 57.83 1zrp n LYS 45 Cb 0.54 -1.53 0.27 0.00 -0.65 0.00 0.00 35.03 33.67 1zrp n LYS 45 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1zrp n SER 46 N -1.54 4.19 -0.04 -5.58 2.88 -1.26 -1.75 113.62 110.52 1zrp n SER 46 Ca 0.00 -2.65 0.05 0.00 -1.33 0.00 0.00 58.87 54.94 1zrp n SER 46 Cb 0.02 -0.63 0.07 0.00 -0.75 0.00 0.00 64.21 62.91 1zrp n SER 46 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1zrp n GLU 47 N 0.39 2.13 -3.62 -1.46 4.71 0.12 -4.93 120.64 117.98 1zrp n GLU 47 Ca 0.20 -2.02 -0.40 0.00 -0.01 0.00 0.00 57.16 54.93 1zrp n GLU 47 Cb 0.91 -1.24 -0.10 0.00 -1.01 0.00 0.00 31.44 30.00 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 -1.91 3.31 0.33 -0.32 0.40 -0.72 -2.02 117.98 117.06 1zrp s PHE 48 Ca 0.16 -1.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.02 1zrp s PHE 48 Cb 0.14 -2.78 -0.06 0.00 0.51 0.00 0.00 43.02 40.83 1zrp s PHE 48 CO 0.01 -0.79 0.63 -2.00 0.70 0.00 0.00 175.22 173.77 1zrp s GLU 49 N 1.45 3.69 -0.05 0.44 2.56 0.20 -4.78 118.70 122.21 1zrp s GLU 49 Ca 0.02 0.18 -0.25 0.00 0.00 0.00 0.00 54.97 54.92 1zrp s GLU 49 Cb -0.22 -2.55 -0.04 0.00 2.00 0.00 0.00 34.13 33.32 1zrp s GLU 49 CO 0.03 0.12 0.76 0.15 -0.56 0.00 0.00 175.26 175.76 1zrp s LYS 50 N -3.65 4.46 -0.43 4.30 1.02 -1.26 0.58 119.74 124.76 1zrp s LYS 50 Ca 0.47 0.99 0.04 0.00 0.02 0.00 0.00 55.97 57.49 1zrp s LYS 50 Cb -0.11 -3.45 0.17 0.00 -0.52 0.00 0.00 37.83 33.92 1zrp s LYS 50 CO 0.30 0.04 0.35 -1.17 -0.92 0.00 0.00 175.35 173.95 1zrp s LEU 51 N 0.84 1.69 0.00 3.17 2.96 -0.95 -4.88 118.68 121.51 1zrp s LEU 51 Ca 0.40 -3.11 0.00 0.00 -0.22 0.00 0.00 54.13 51.20 1zrp s LEU 51 Cb -0.18 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 45.97 1zrp s LEU 51 CO 0.20 -0.17 0.00 1.21 -1.32 0.00 0.00 176.35 176.28 1zrp n GLU 52 N 2.80 0.00 -0.63 1.98 2.13 -1.26 -4.72 120.64 120.93 1zrp n GLU 52 Ca 0.29 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1zrp n GLU 52 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 1zrp n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25