#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 1.66 -0.14 0.00 1.02 -1.26 -2.26 119.74 118.76 1zrp s LYS 2 Ca 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 55.97 55.43 1zrp s LYS 2 Cb 0.00 -1.46 0.02 0.00 -0.52 0.00 0.00 37.83 35.86 1zrp s LYS 2 CO 0.00 0.24 -0.18 -1.58 -0.92 0.00 0.00 175.35 172.91 1zrp s TRP 3 N 0.02 2.38 -0.16 3.18 0.52 0.20 -2.16 118.94 122.91 1zrp s TRP 3 Ca -0.03 -1.26 -0.08 0.00 0.02 0.00 0.00 56.10 54.75 1zrp s TRP 3 Cb -0.11 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.49 1zrp s TRP 3 CO 0.02 -0.63 0.12 0.54 0.02 0.00 0.00 176.95 177.02 1zrp s VAL 4 N 1.11 5.31 -0.50 4.03 0.11 -0.45 0.59 120.40 130.60 1zrp s VAL 4 Ca -0.02 0.14 -0.28 0.00 -2.93 0.00 0.00 61.98 58.90 1zrp s VAL 4 Cb -0.14 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 1zrp s VAL 4 CO -0.06 0.52 1.57 0.00 -3.33 0.00 0.00 175.10 173.80 1zrp h LYS 6 N 12.09 0.00 0.03 0.00 1.63 -1.69 -1.90 116.57 126.72 1zrp h LYS 6 Ca -0.28 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1zrp h LYS 6 Cb 1.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1zrp h LYS 6 CO 1.14 0.01 -0.01 0.82 -3.45 0.00 0.00 179.45 177.96 1zrp h ILE 7 N 0.00 0.84 0.01 2.00 5.03 -1.88 -3.41 117.51 120.10 1zrp h ILE 7 Ca -0.00 -1.56 -0.40 0.00 -0.12 0.00 0.00 64.86 62.79 1zrp h ILE 7 Cb 0.12 1.56 -0.06 0.00 -3.03 0.00 0.00 36.82 35.40 1zrp h ILE 7 CO 0.00 0.27 -2.40 0.00 -0.68 0.00 0.00 178.15 175.35 1zrp n GLY 9 N 1.98 1.79 3.89 0.00 0.00 -0.72 -5.12 105.19 107.02 1zrp n GLY 9 Ca -0.46 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 3.57 0.43 1.61 5.04 -1.24 -4.91 117.35 119.85 1zrp s TYR 10 Ca 0.00 0.96 0.03 0.00 -2.44 0.00 0.00 57.07 55.63 1zrp s TYR 10 Cb 0.00 -2.47 -0.02 0.00 0.35 0.00 0.00 41.96 39.82 1zrp s TYR 10 CO 0.00 -0.45 0.10 0.42 -1.34 0.00 0.00 175.55 174.28 1zrp s ILE 11 N -2.90 0.78 -0.21 3.14 -1.09 -1.26 0.59 121.20 120.24 1zrp s ILE 11 Ca 0.50 -2.00 -0.17 0.00 -2.23 0.00 0.00 60.65 56.75 1zrp s ILE 11 Cb -0.11 -2.34 0.06 0.00 -1.58 0.00 0.00 42.46 38.49 1zrp s ILE 11 CO 0.48 0.00 0.54 -0.47 -1.23 0.00 0.00 174.94 174.26 1zrp s TYR 12 N -3.13 -0.64 -0.07 3.97 5.04 0.20 -4.89 117.35 117.83 1zrp s TYR 12 Ca 0.21 1.50 0.05 0.00 -2.44 0.00 0.00 57.07 56.39 1zrp s TYR 12 Cb 0.03 0.25 -0.00 0.00 0.35 0.00 0.00 41.96 42.58 1zrp s TYR 12 CO 0.12 -0.32 -0.23 0.34 -1.34 0.00 0.00 175.55 174.13 1zrp s ASP 13 N 0.54 2.85 0.59 4.32 2.15 -1.26 0.58 116.67 126.44 1zrp s ASP 13 Ca -0.02 -0.49 0.39 0.00 0.43 0.00 0.00 52.55 52.86 1zrp s ASP 13 Cb -0.04 -0.99 2.07 0.00 -0.30 0.00 0.00 42.92 43.66 1zrp s ASP 13 CO -0.03 0.19 2.19 -0.33 -0.17 0.00 0.00 175.17 177.03 1zrp h GLU 14 N 6.36 0.00 0.00 4.34 5.08 -1.67 0.59 114.58 129.28 1zrp h GLU 14 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1zrp h GLU 14 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1zrp h GLU 14 CO 0.47 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.01 1zrp n ASP 15 N -2.91 0.00 0.23 1.42 -0.08 -1.26 -0.62 116.55 113.33 1zrp n ASP 15 Ca -0.02 0.81 0.08 0.00 -1.51 0.00 0.00 54.79 54.14 1zrp n ASP 15 Cb 0.09 -0.33 0.57 0.00 2.34 0.00 0.00 41.12 43.79 1zrp n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zrp h ALA 16 N -2.00 1.51 -2.74 -1.67 0.00 -0.22 -2.75 119.26 111.39 1zrp h ALA 16 Ca 0.00 -0.17 0.33 0.00 0.00 0.00 0.00 54.91 55.07 1zrp h ALA 16 Cb 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1zrp h ALA 16 CO 0.00 0.23 -0.44 0.41 0.00 0.00 0.00 179.25 179.45 1zrp n GLY 17 N -0.83 -1.93 2.31 0.00 0.00 -0.63 -4.62 105.19 99.49 1zrp n GLY 17 Ca -0.02 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.75 -0.29 0.23 1.61 2.03 -0.38 -4.93 116.55 111.06 1zrp n ASP 18 Ca 0.01 -2.95 0.16 0.00 0.52 0.00 0.00 54.79 52.53 1zrp n ASP 18 Cb 0.55 -0.07 0.72 0.00 -0.72 0.00 0.00 41.12 41.60 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 3.63 0.00 0.00 -0.67 0.11 -1.33 0.44 132.00 134.18 1zrp h PRO 19 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1zrp h PRO 19 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1zrp h PRO 19 CO 0.43 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.78 1zrp h ASP 20 N 0.00 0.00 0.00 -2.05 5.19 -1.92 -2.51 116.42 115.13 1zrp h ASP 20 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1zrp h ASP 20 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1zrp h ASP 20 CO -0.00 0.00 -0.25 0.59 -3.12 0.00 0.00 179.24 176.45 1zrp n ASN 21 N -2.45 0.00 -0.09 6.45 3.02 0.13 -5.01 115.26 117.30 1zrp n ASN 21 Ca -0.01 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 1zrp n ASN 21 Cb 0.07 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.00 0.67 3.41 7.41 0.00 -0.38 -4.95 105.19 111.35 1zrp n GLY 22 Ca 0.00 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.18 4.64 0.21 -0.61 1.09 0.30 -4.90 121.20 119.74 1zrp s ILE 23 Ca 0.00 -0.65 -0.28 0.00 -1.10 0.00 0.00 60.65 58.62 1zrp s ILE 23 Cb 0.00 -3.49 -0.09 0.00 -1.06 0.00 0.00 42.46 37.82 1zrp s ILE 23 CO 0.00 -0.11 0.87 -0.44 -0.10 0.00 0.00 174.94 175.16 1zrp s SER 24 N 1.59 7.52 -0.72 3.58 0.01 -1.26 -0.92 113.70 123.51 1zrp s SER 24 Ca 0.03 1.81 -0.16 0.00 1.31 0.00 0.00 55.95 58.94 1zrp s SER 24 Cb -0.18 -2.56 -0.18 0.00 0.21 0.00 0.00 66.02 63.31 1zrp s SER 24 CO 0.07 0.18 1.91 -2.65 0.41 0.00 0.00 173.24 173.16 1zrp n PRO 25 N 1.50 0.16 0.00 12.44 -0.02 -1.26 0.57 135.00 148.40 1zrp n PRO 25 Ca -0.04 -0.68 0.00 0.00 -2.02 0.00 0.00 63.50 60.77 1zrp n PRO 25 Cb 0.48 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 5.74 0.89 3.78 -1.23 0.00 0.21 -4.92 105.19 109.66 1zrp n GLY 26 Ca 0.38 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.99 4.13 0.48 2.61 2.01 0.19 -4.93 115.64 119.15 1zrp s THR 27 Ca 0.00 1.82 -0.04 0.00 0.31 0.00 0.00 61.69 63.78 1zrp s THR 27 Cb 0.00 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1zrp s THR 27 CO 0.00 0.20 0.77 -0.54 -0.69 0.00 0.00 174.62 174.35 1zrp s LYS 28 N -1.92 3.40 0.02 4.92 -0.14 -1.26 -4.47 119.74 120.29 1zrp s LYS 28 Ca 0.49 0.06 -0.18 0.00 -1.36 0.00 0.00 55.97 54.97 1zrp s LYS 28 Cb -0.20 -2.41 -0.10 0.00 -1.68 0.00 0.00 37.83 33.44 1zrp s LYS 28 CO 0.26 -0.25 1.18 0.35 -0.76 0.00 0.00 175.35 176.13 1zrp h PHE 29 N 0.23 -0.61 0.00 3.18 3.57 -1.96 0.17 116.94 121.52 1zrp h PHE 29 Ca -0.47 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1zrp h PHE 29 Cb 1.22 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1zrp h PHE 29 CO 0.55 -0.38 0.00 -1.91 -2.23 0.00 0.00 178.31 174.34 1zrp n GLU 30 N -3.91 0.95 -0.54 1.11 0.00 -1.26 0.57 120.64 117.56 1zrp n GLU 30 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.14 1zrp n GLU 30 Cb 0.26 -1.17 0.27 0.00 0.00 0.00 0.00 31.44 30.80 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 -0.67 3.01 -1.92 5.31 2.13 -0.34 -4.98 120.64 123.19 1zrp n GLU 31 Ca 0.08 -2.91 -0.29 0.00 0.66 0.00 0.00 57.16 54.69 1zrp n GLU 31 Cb 0.04 -1.90 0.08 0.00 0.27 0.00 0.00 31.44 29.93 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1zrp s LEU 32 N -2.88 2.58 0.54 4.31 1.43 0.19 -4.54 118.68 120.32 1zrp s LEU 32 Ca 0.44 0.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.17 1zrp s LEU 32 Cb 0.36 -3.35 -0.11 0.00 0.03 0.00 0.00 46.19 43.12 1zrp s LEU 32 CO 0.09 -1.81 0.31 -0.81 0.23 0.00 0.00 176.35 174.37 1zrp n PRO 33 N -3.25 0.34 0.05 1.29 -0.04 -1.26 -4.89 135.00 127.24 1zrp n PRO 33 Ca 0.08 0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1zrp n PRO 33 Cb 0.60 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.17 -0.03 -0.81 3.54 5.19 -1.98 -2.39 116.42 120.11 1zrp h ASP 34 Ca -0.44 -0.07 -0.51 0.00 -0.62 0.00 0.00 57.03 55.39 1zrp h ASP 34 Cb 1.42 0.01 -0.28 0.00 0.18 0.00 0.00 39.33 40.65 1zrp h ASP 34 CO 0.45 0.05 0.29 -0.67 -3.12 0.00 0.00 179.24 176.25 1zrp n ASP 35 N -5.07 5.18 -4.67 6.45 2.03 -1.26 -5.02 116.55 114.20 1zrp n ASP 35 Ca -0.07 -3.75 -0.42 0.00 0.52 0.00 0.00 54.79 51.07 1zrp n ASP 35 Cb 0.08 -0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 39.69 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1zrp s TRP 36 N -3.55 1.53 0.42 -0.67 -0.00 -0.90 -4.85 118.94 110.92 1zrp s TRP 36 Ca 0.56 -0.28 0.06 0.00 -0.00 0.00 0.00 56.10 56.44 1zrp s TRP 36 Cb 0.46 -4.18 -0.07 0.00 -0.00 0.00 0.00 33.47 29.68 1zrp s TRP 36 CO 0.03 -5.18 0.03 0.14 -0.00 0.00 0.00 176.95 171.97 1zrp s VAL 37 N 4.12 1.96 0.03 5.86 -7.23 -1.26 -1.64 120.40 122.23 1zrp s VAL 37 Ca 0.85 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.76 1zrp s VAL 37 Cb -0.42 -2.92 -0.08 0.00 0.56 0.00 0.00 36.38 33.53 1zrp s VAL 37 CO 0.39 0.00 1.76 0.00 -0.31 0.00 0.00 175.10 176.94 1zrp h PRO 39 N 9.35 0.00 0.00 0.00 0.13 -1.98 -1.78 132.00 137.72 1zrp h PRO 39 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.94 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.82 1zrp n ILE 40 N -2.74 0.00 0.14 -3.56 -0.00 -1.26 -4.85 119.36 107.09 1zrp n ILE 40 Ca -0.02 0.00 0.05 0.00 -0.00 0.00 0.00 62.75 62.78 1zrp n ILE 40 Cb 0.08 -0.64 0.04 0.00 -0.00 0.00 0.00 39.64 39.13 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 1.21 0.94 3.59 0.00 0.00 -0.67 -5.03 105.19 105.23 1zrp n GLY 42 Ca 0.01 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 3.48 1.03 4.61 0.00 -1.26 -4.67 121.76 122.96 1zrp s ALA 43 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.08 1zrp s ALA 43 Cb 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1zrp s ALA 43 CO 0.00 -1.28 -0.78 -2.30 0.00 0.00 0.00 175.76 171.40 1zrp n PRO 44 N 6.14 -0.53 0.00 0.00 -0.02 -1.26 0.27 135.00 139.59 1zrp n PRO 44 Ca 0.01 -0.15 0.01 0.00 -2.02 0.00 0.00 63.50 61.35 1zrp n PRO 44 Cb 0.48 -1.30 0.04 0.00 -0.02 0.00 0.00 33.50 32.71 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 0.68 0.00 0.08 -0.52 -0.00 -0.65 -1.04 118.16 116.70 1zrp n LYS 45 Ca -0.00 0.47 0.04 0.00 -0.00 0.00 0.00 58.31 58.81 1zrp n LYS 45 Cb 0.67 -1.50 0.44 0.00 -0.00 0.00 0.00 35.03 34.64 1zrp n LYS 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1zrp h SER 46 N 0.00 0.33 -0.43 -5.58 4.64 -1.87 -1.87 113.55 108.77 1zrp h SER 46 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1zrp h SER 46 Cb 0.03 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1zrp h SER 46 CO 0.00 0.31 0.00 -0.62 -0.87 0.00 0.00 176.83 175.65 1zrp n GLU 47 N -4.42 2.77 -3.57 4.77 4.71 -0.21 -4.73 120.64 119.96 1zrp n GLU 47 Ca 0.01 -1.86 -0.41 0.00 -0.01 0.00 0.00 57.16 54.89 1zrp n GLU 47 Cb 0.13 -1.66 -0.10 0.00 -1.01 0.00 0.00 31.44 28.80 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 -1.72 3.30 0.13 -0.32 0.40 -0.70 -2.08 117.98 116.98 1zrp s PHE 48 Ca 0.33 -1.30 -0.02 0.00 -0.60 0.00 0.00 56.93 55.34 1zrp s PHE 48 Cb 0.21 -2.85 0.03 0.00 0.51 0.00 0.00 43.02 40.93 1zrp s PHE 48 CO 0.16 -0.79 0.13 -1.91 0.70 0.00 0.00 175.22 173.51 1zrp n GLU 49 N 4.98 -0.99 -4.42 0.44 4.07 0.20 -4.79 120.64 120.13 1zrp n GLU 49 Ca -0.11 -0.20 -0.29 0.00 -0.06 0.00 0.00 57.16 56.50 1zrp n GLU 49 Cb 0.44 -0.17 -0.17 0.00 -0.06 0.00 0.00 31.44 31.48 1zrp n GLU 49 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1zrp s LYS 50 N -3.29 2.22 -0.71 5.31 1.02 -1.26 -1.34 119.74 121.69 1zrp s LYS 50 Ca 0.08 -0.56 0.04 0.00 0.02 0.00 0.00 55.97 55.55 1zrp s LYS 50 Cb -0.01 -1.91 0.29 0.00 -0.52 0.00 0.00 37.83 35.69 1zrp s LYS 50 CO 0.06 -0.08 1.00 1.28 -0.92 0.00 0.00 175.35 176.69 1zrp n LEU 51 N 4.26 4.67 0.15 3.17 4.77 -0.92 -4.74 117.00 128.35 1zrp n LEU 51 Ca -0.19 -5.49 -0.25 0.00 -0.03 0.00 0.00 56.01 50.06 1zrp n LEU 51 Cb 0.51 -0.76 -0.16 0.00 -2.33 0.00 0.00 43.42 40.68 1zrp n LEU 51 CO 0.24 2.10 -0.23 -0.33 -1.33 0.00 0.00 177.39 177.84 1zrp h GLU 52 N 3.97 0.55 0.00 3.23 3.07 -1.96 -3.44 114.58 120.00 1zrp h GLU 52 Ca 0.21 -0.93 0.00 0.00 -0.50 0.00 0.00 59.36 58.14 1zrp h GLU 52 Cb 0.57 0.34 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1zrp h GLU 52 CO 0.93 1.44 0.00 -3.47 -1.40 0.00 0.00 179.01 176.51