#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 2.81 -0.10 0.00 3.01 -1.26 -2.09 119.74 122.11 1zrp s LYS 2 Ca 0.00 -0.83 0.03 0.00 -1.01 0.00 0.00 55.97 54.17 1zrp s LYS 2 Cb 0.00 -2.32 -0.00 0.00 -1.01 0.00 0.00 37.83 34.50 1zrp s LYS 2 CO 0.00 0.34 -0.22 -1.58 0.51 0.00 0.00 175.35 174.40 1zrp s TRP 3 N -0.04 2.61 -0.12 3.18 0.52 0.10 -2.23 118.94 122.97 1zrp s TRP 3 Ca -0.06 -0.96 -0.01 0.00 0.02 0.00 0.00 56.10 55.09 1zrp s TRP 3 Cb -0.15 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 1zrp s TRP 3 CO 0.05 -0.37 -0.06 0.54 0.02 0.00 0.00 176.95 177.12 1zrp s VAL 4 N 0.33 3.71 -0.47 4.03 0.11 -0.11 0.60 120.40 128.60 1zrp s VAL 4 Ca -0.17 -0.44 -0.28 0.00 -2.93 0.00 0.00 61.98 58.16 1zrp s VAL 4 Cb -0.17 -2.57 -0.01 0.00 -1.53 0.00 0.00 36.38 32.09 1zrp s VAL 4 CO 0.08 0.54 1.70 0.00 -3.33 0.00 0.00 175.10 174.09 1zrp h LYS 6 N 12.95 0.00 0.00 0.00 3.64 -1.70 -1.78 116.57 129.68 1zrp h LYS 6 Ca -0.29 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1zrp h LYS 6 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1zrp h LYS 6 CO 1.12 0.00 -0.00 0.82 -2.27 0.00 0.00 179.45 179.13 1zrp h ILE 7 N 0.00 0.98 0.00 2.00 5.03 -1.88 -3.42 117.51 120.22 1zrp h ILE 7 Ca -0.00 -1.72 -0.44 0.00 -0.12 0.00 0.00 64.86 62.59 1zrp h ILE 7 Cb 0.10 1.84 -0.07 0.00 -3.03 0.00 0.00 36.82 35.66 1zrp h ILE 7 CO 0.00 0.33 -2.46 0.00 -0.68 0.00 0.00 178.15 175.34 1zrp n GLY 9 N 1.51 1.34 3.95 0.00 0.00 -0.68 -5.11 105.19 106.20 1zrp n GLY 9 Ca -0.51 0.00 -0.23 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 3.31 -0.12 1.61 5.04 -1.24 -4.94 117.35 119.00 1zrp s TYR 10 Ca 0.00 0.23 -0.05 0.00 -2.44 0.00 0.00 57.07 54.82 1zrp s TYR 10 Cb 0.00 -2.14 0.06 0.00 0.35 0.00 0.00 41.96 40.23 1zrp s TYR 10 CO 0.00 -0.17 0.24 0.42 -1.34 0.00 0.00 175.55 174.71 1zrp s ILE 11 N -2.44 -0.37 0.08 3.14 1.09 -1.26 0.59 121.20 122.03 1zrp s ILE 11 Ca 0.45 0.29 -0.28 0.00 -1.10 0.00 0.00 60.65 60.01 1zrp s ILE 11 Cb -0.10 -0.41 -0.05 0.00 -1.06 0.00 0.00 42.46 40.84 1zrp s ILE 11 CO 0.37 0.12 0.90 -0.47 -0.10 0.00 0.00 174.94 175.76 1zrp s TYR 12 N 2.33 3.77 -0.14 3.97 5.04 0.20 -4.93 117.35 127.59 1zrp s TYR 12 Ca 0.01 1.69 0.02 0.00 -2.44 0.00 0.00 57.07 56.35 1zrp s TYR 12 Cb -0.12 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 39.20 1zrp s TYR 12 CO -0.08 0.21 -0.19 0.34 -1.34 0.00 0.00 175.55 174.49 1zrp s ASP 13 N 0.08 3.43 0.05 4.32 2.15 -1.26 0.03 116.67 125.48 1zrp s ASP 13 Ca 0.45 -0.51 0.08 0.00 0.43 0.00 0.00 52.55 53.00 1zrp s ASP 13 Cb -0.22 -1.51 0.37 0.00 -0.30 0.00 0.00 42.92 41.26 1zrp s ASP 13 CO 0.28 0.11 1.25 -0.62 -0.17 0.00 0.00 175.17 176.01 1zrp n GLU 14 N 3.91 0.03 0.11 4.34 1.02 -0.89 0.58 120.64 129.75 1zrp n GLU 14 Ca -0.19 0.44 0.11 0.00 -0.02 0.00 0.00 57.16 57.50 1zrp n GLU 14 Cb 0.52 -1.58 0.01 0.00 -0.02 0.00 0.00 31.44 30.38 1zrp n GLU 14 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1zrp h ASP 15 N 0.00 0.00 0.01 1.62 3.58 -1.88 0.57 116.42 120.32 1zrp h ASP 15 Ca 0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 1zrp h ASP 15 Cb 0.09 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.07 1zrp h ASP 15 CO 0.00 0.01 -2.43 0.00 -2.88 0.00 0.00 179.24 173.94 1zrp n ALA 16 N -2.18 1.45 -1.30 -0.78 0.00 0.20 -4.44 120.51 113.46 1zrp n ALA 16 Ca 0.00 -1.19 0.17 0.00 0.00 0.00 0.00 53.44 52.43 1zrp n ALA 16 Cb 0.55 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 1zrp n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zrp n GLY 17 N 2.06 -2.25 2.34 0.00 0.00 -0.63 -4.55 105.19 102.15 1zrp n GLY 17 Ca -0.41 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 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 -4.04 -0.01 -0.26 1.61 2.03 0.10 -4.89 116.55 111.09 1zrp n ASP 18 Ca -0.02 -2.54 0.29 0.00 0.52 0.00 0.00 54.79 53.04 1zrp n ASP 18 Cb 0.60 -0.59 0.66 0.00 -0.72 0.00 0.00 41.12 41.07 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 5.02 0.12 0.00 -0.67 0.11 -1.86 0.48 132.00 135.21 1zrp h PRO 19 Ca 0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1zrp h PRO 19 Cb 0.89 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1zrp h PRO 19 CO 0.43 0.08 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.77 1zrp h ASP 20 N 0.13 0.00 0.00 -2.05 5.19 -1.92 -2.47 116.42 115.29 1zrp h ASP 20 Ca 0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1zrp h ASP 20 Cb 1.79 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.30 1zrp h ASP 20 CO -0.09 0.09 -0.27 0.59 -3.12 0.00 0.00 179.24 176.44 1zrp n ASN 21 N -4.42 0.97 -2.03 6.45 3.02 -0.30 -5.01 115.26 113.95 1zrp n ASN 21 Ca -0.03 -2.38 -0.06 0.00 -0.03 0.00 0.00 54.58 52.08 1zrp n ASN 21 Cb 0.16 -0.28 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.57 0.14 3.09 7.41 0.00 0.83 -4.96 105.19 111.13 1zrp n GLY 22 Ca 0.06 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.14 1.72 0.17 -0.61 1.09 0.13 -4.92 121.20 115.63 1zrp s ILE 23 Ca 0.09 -0.76 -0.24 0.00 -1.10 0.00 0.00 60.65 58.63 1zrp s ILE 23 Cb -0.01 -1.55 -0.08 0.00 -1.06 0.00 0.00 42.46 39.76 1zrp s ILE 23 CO 0.27 0.48 0.75 -0.44 -0.10 0.00 0.00 174.94 175.90 1zrp s SER 24 N 1.02 7.30 -0.82 3.58 0.01 -1.26 -0.72 113.70 122.81 1zrp s SER 24 Ca -0.04 1.57 -0.19 0.00 1.31 0.00 0.00 55.95 58.60 1zrp s SER 24 Cb -0.15 -2.47 -0.20 0.00 0.21 0.00 0.00 66.02 63.41 1zrp s SER 24 CO -0.04 0.19 2.17 -2.65 0.41 0.00 0.00 173.24 173.32 1zrp n PRO 25 N 1.45 0.28 0.00 12.44 -0.02 -1.26 -0.86 135.00 147.03 1zrp n PRO 25 Ca -0.06 -0.66 0.00 0.00 -2.02 0.00 0.00 63.50 60.76 1zrp n PRO 25 Cb 0.49 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 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 6.13 0.78 3.89 -1.23 0.00 0.20 -4.88 105.19 110.09 1zrp n GLY 26 Ca 0.48 0.00 -0.29 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 -0.81 3.91 0.25 2.61 2.01 -0.04 -5.00 115.64 118.57 1zrp s THR 27 Ca 0.00 0.36 0.06 0.00 0.31 0.00 0.00 61.69 62.42 1zrp s THR 27 Cb 0.00 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1zrp s THR 27 CO 0.00 -0.69 0.26 -0.54 -0.69 0.00 0.00 174.62 172.96 1zrp s LYS 28 N -5.14 3.13 0.02 4.92 1.02 -1.26 -4.69 119.74 117.74 1zrp s LYS 28 Ca 0.55 -0.94 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 1zrp s LYS 28 Cb -0.11 -2.69 -0.09 0.00 -0.52 0.00 0.00 37.83 34.42 1zrp s LYS 28 CO 0.49 0.41 1.16 0.35 -0.92 0.00 0.00 175.35 176.84 1zrp h PHE 29 N 1.37 -0.54 0.00 3.18 3.57 -1.97 0.16 116.94 122.71 1zrp h PHE 29 Ca -0.50 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1zrp h PHE 29 Cb 1.23 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1zrp h PHE 29 CO 0.51 -0.33 0.00 -1.91 -2.23 0.00 0.00 178.31 174.35 1zrp n GLU 30 N -3.67 0.95 -0.61 1.11 0.00 -1.26 0.59 120.64 117.75 1zrp n GLU 30 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.14 1zrp n GLU 30 Cb 0.23 -1.15 0.28 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 -0.65 3.15 -2.08 5.31 4.07 -0.26 -4.98 120.64 125.20 1zrp n GLU 31 Ca 0.07 -2.95 -0.28 0.00 -0.06 0.00 0.00 57.16 53.94 1zrp n GLU 31 Cb 0.03 -1.94 0.11 0.00 -0.06 0.00 0.00 31.44 29.58 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 -2.89 2.72 0.80 4.31 1.43 0.20 -4.51 118.68 120.74 1zrp s LEU 32 Ca 0.46 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.80 1zrp s LEU 32 Cb 0.37 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 1zrp s LEU 32 CO 0.09 -2.06 0.41 -2.65 0.23 0.00 0.00 176.35 172.38 1zrp n PRO 33 N -3.28 0.10 -0.03 1.29 -0.02 -1.26 -4.89 135.00 126.91 1zrp n PRO 33 Ca 0.11 0.08 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 1zrp n PRO 33 Cb 0.60 -1.78 -0.05 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.76 0.18 -0.61 2.55 5.19 -1.98 -2.42 116.42 118.57 1zrp h ASP 34 Ca -0.45 -0.09 -0.40 0.00 -0.62 0.00 0.00 57.03 55.47 1zrp h ASP 34 Cb 1.33 -0.05 -0.26 0.00 0.18 0.00 0.00 39.33 40.53 1zrp h ASP 34 CO 0.39 0.22 -0.21 0.47 -3.12 0.00 0.00 179.24 176.99 1zrp n ASP 35 N -4.93 4.30 -4.68 6.45 9.92 -1.26 -5.02 116.55 121.32 1zrp n ASP 35 Ca -0.05 -3.79 -0.42 0.00 -0.53 0.00 0.00 54.79 50.01 1zrp n ASP 35 Cb 0.07 -0.58 -0.03 0.00 -0.64 0.00 0.00 41.12 39.94 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 -3.49 1.91 0.36 1.24 -0.00 -0.91 -4.83 118.94 113.21 1zrp s TRP 36 Ca 0.50 -0.09 0.06 0.00 -0.00 0.00 0.00 56.10 56.57 1zrp s TRP 36 Cb 0.43 -4.15 -0.07 0.00 -0.00 0.00 0.00 33.47 29.67 1zrp s TRP 36 CO 0.01 -4.88 0.01 0.14 -0.00 0.00 0.00 176.95 172.23 1zrp s VAL 37 N 3.34 1.75 -0.03 5.86 -7.23 -1.26 -1.49 120.40 121.34 1zrp s VAL 37 Ca 0.82 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 1zrp s VAL 37 Cb -0.43 -2.85 -0.07 0.00 0.56 0.00 0.00 36.38 33.59 1zrp s VAL 37 CO 0.37 -0.05 1.81 0.00 -0.31 0.00 0.00 175.10 176.92 1zrp h PRO 39 N 10.31 0.00 0.00 0.00 0.13 -1.98 -1.95 132.00 138.51 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 0.95 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.83 1zrp n ILE 40 N -2.82 0.00 0.13 -3.56 -0.00 -1.26 -4.84 119.36 107.01 1zrp n ILE 40 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.77 1zrp n ILE 40 Cb 0.07 -0.54 0.03 0.00 -0.00 0.00 0.00 39.64 39.20 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 1.23 1.31 3.51 0.00 0.00 -0.74 -5.05 105.19 105.46 1zrp n GLY 42 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 3.42 1.03 4.61 0.00 -1.26 -4.71 121.76 122.85 1zrp s ALA 43 Ca 0.00 -1.31 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 1zrp s ALA 43 Cb 0.00 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 1zrp s ALA 43 CO 0.00 -1.52 -0.59 -2.30 0.00 0.00 0.00 175.76 171.35 1zrp n PRO 44 N 5.78 -0.51 0.04 0.00 -0.01 -1.26 0.52 135.00 139.56 1zrp n PRO 44 Ca -0.05 -0.14 0.03 0.00 -0.01 0.00 0.00 63.50 63.33 1zrp n PRO 44 Cb 0.48 -1.36 0.18 0.00 -0.01 0.00 0.00 33.50 32.79 1zrp n PRO 44 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 175.50 175.85 1zrp n LYS 45 N 0.43 0.04 0.29 -0.52 -0.00 -0.56 -1.22 118.16 116.63 1zrp n LYS 45 Ca 0.00 0.52 0.19 0.00 -0.00 0.00 0.00 58.31 59.03 1zrp n LYS 45 Cb 0.64 -1.62 0.96 0.00 -0.00 0.00 0.00 35.03 35.00 1zrp n LYS 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1zrp h SER 46 N 0.00 0.00 -0.49 -5.58 0.87 -1.87 -1.81 113.55 104.67 1zrp h SER 46 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1zrp h SER 46 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1zrp h SER 46 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 1zrp n GLU 47 N -2.94 3.36 -3.56 2.24 4.71 -0.36 -4.81 120.64 119.29 1zrp n GLU 47 Ca -0.01 -2.68 -0.41 0.00 -0.01 0.00 0.00 57.16 54.04 1zrp n GLU 47 Cb 0.14 -1.74 -0.09 0.00 -1.01 0.00 0.00 31.44 28.75 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 -1.87 3.41 1.41 -0.32 0.40 -0.68 -2.05 117.98 118.27 1zrp s PHE 48 Ca 0.42 -1.81 -0.23 0.00 -0.60 0.00 0.00 56.93 54.72 1zrp s PHE 48 Cb 0.28 -3.42 0.36 0.00 0.51 0.00 0.00 43.02 40.76 1zrp s PHE 48 CO 0.19 -0.97 0.96 -1.21 0.70 0.00 0.00 175.22 174.88 1zrp s GLU 49 N 1.38 -2.83 -0.04 0.44 8.01 0.20 -4.74 118.70 121.11 1zrp s GLU 49 Ca 0.05 0.04 0.06 0.00 0.01 0.00 0.00 54.97 55.13 1zrp s GLU 49 Cb -0.26 -1.40 -0.02 0.00 -4.31 0.00 0.00 34.13 28.15 1zrp s GLU 49 CO -0.00 -4.79 -0.22 0.15 0.01 0.00 0.00 175.26 170.41 1zrp s LYS 50 N -5.19 2.38 -0.69 1.61 1.02 -1.26 -0.93 119.74 116.68 1zrp s LYS 50 Ca 0.69 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.81 1zrp s LYS 50 Cb -0.11 -2.18 0.32 0.00 -0.52 0.00 0.00 37.83 35.33 1zrp s LYS 50 CO 0.57 0.52 2.16 1.28 -0.92 0.00 0.00 175.35 178.96 1zrp n LEU 51 N 2.58 7.31 -3.63 3.17 4.77 -0.95 -4.89 117.00 125.37 1zrp n LEU 51 Ca -0.17 -4.43 -0.22 0.00 -0.03 0.00 0.00 56.01 51.16 1zrp n LEU 51 Cb 0.52 -1.07 -0.17 0.00 -2.33 0.00 0.00 43.42 40.36 1zrp n LEU 51 CO 0.25 1.63 -0.32 -0.70 -1.33 0.00 0.00 177.39 176.92 1zrp s GLU 52 N -3.42 0.01 0.00 3.23 2.56 -1.26 -4.77 118.70 115.06 1zrp s GLU 52 Ca 0.55 0.17 0.00 0.00 0.00 0.00 0.00 54.97 55.69 1zrp s GLU 52 Cb 0.43 -1.15 0.00 0.00 2.00 0.00 0.00 34.13 35.42 1zrp s GLU 52 CO -0.24 -0.51 0.02 -0.40 -0.56 0.00 0.00 175.26 173.57