#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 2.60 -0.15 0.00 1.02 -1.26 -2.13 119.74 119.82 1zrp s LYS 2 Ca 0.00 -0.90 0.02 0.00 0.02 0.00 0.00 55.97 55.11 1zrp s LYS 2 Cb 0.00 -2.17 0.01 0.00 -0.52 0.00 0.00 37.83 35.15 1zrp s LYS 2 CO 0.00 0.35 -0.20 -1.58 -0.92 0.00 0.00 175.35 173.00 1zrp s TRP 3 N -0.09 2.72 -0.16 3.18 0.52 -0.20 -1.87 118.94 123.04 1zrp s TRP 3 Ca -0.06 -1.36 -0.07 0.00 0.02 0.00 0.00 56.10 54.64 1zrp s TRP 3 Cb -0.14 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 1zrp s TRP 3 CO 0.04 -0.64 0.07 0.54 0.02 0.00 0.00 176.95 176.99 1zrp s VAL 4 N 0.95 4.90 -0.50 4.03 0.11 0.81 0.59 120.40 131.28 1zrp s VAL 4 Ca -0.03 -0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.74 1zrp s VAL 4 Cb -0.15 -3.18 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 1zrp s VAL 4 CO -0.04 0.50 1.68 0.00 -3.33 0.00 0.00 175.10 173.90 1zrp h LYS 6 N 12.89 0.00 0.17 0.00 1.79 -1.68 -1.88 116.57 127.86 1zrp h LYS 6 Ca -0.28 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 1zrp h LYS 6 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1zrp h LYS 6 CO 1.14 0.02 -0.08 0.82 -1.08 0.00 0.00 179.45 180.27 1zrp h ILE 7 N 0.00 0.39 0.01 1.86 5.03 -1.88 -3.42 117.51 119.50 1zrp h ILE 7 Ca -0.00 -1.03 -0.40 0.00 -0.12 0.00 0.00 64.86 63.32 1zrp h ILE 7 Cb 0.13 0.68 -0.06 0.00 -3.03 0.00 0.00 36.82 34.54 1zrp h ILE 7 CO 0.00 0.11 -2.26 0.00 -0.68 0.00 0.00 178.15 175.33 1zrp n GLY 9 N 1.65 1.17 3.99 0.00 0.00 -0.71 -5.12 105.19 106.16 1zrp n GLY 9 Ca -0.46 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 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 2.85 -0.13 1.61 5.04 -1.24 -4.95 117.35 118.54 1zrp s TYR 10 Ca 0.00 -0.38 -0.05 0.00 -2.44 0.00 0.00 57.07 54.20 1zrp s TYR 10 Cb 0.00 -2.27 0.06 0.00 0.35 0.00 0.00 41.96 40.10 1zrp s TYR 10 CO 0.00 -0.30 0.28 0.42 -1.34 0.00 0.00 175.55 174.61 1zrp s ILE 11 N -2.33 -0.31 0.17 3.14 1.09 -1.26 0.59 121.20 122.28 1zrp s ILE 11 Ca 0.52 0.23 -0.30 0.00 -1.10 0.00 0.00 60.65 60.00 1zrp s ILE 11 Cb -0.09 -0.45 -0.07 0.00 -1.06 0.00 0.00 42.46 40.78 1zrp s ILE 11 CO 0.32 0.09 1.08 -0.47 -0.10 0.00 0.00 174.94 175.86 1zrp s TYR 12 N 2.06 3.64 -0.25 3.97 5.04 0.20 -4.93 117.35 127.08 1zrp s TYR 12 Ca -0.02 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1zrp s TYR 12 Cb -0.11 -3.24 0.04 0.00 0.35 0.00 0.00 41.96 39.00 1zrp s TYR 12 CO -0.09 -0.46 -0.09 0.34 -1.34 0.00 0.00 175.55 173.90 1zrp s ASP 13 N -0.14 4.23 0.52 4.32 2.15 -1.26 -1.04 116.67 125.45 1zrp s ASP 13 Ca 0.49 -1.07 0.30 0.00 0.43 0.00 0.00 52.55 52.70 1zrp s ASP 13 Cb -0.28 -1.60 1.35 0.00 -0.30 0.00 0.00 42.92 42.08 1zrp s ASP 13 CO 0.34 -0.14 2.00 -0.33 -0.17 0.00 0.00 175.17 176.86 1zrp h GLU 14 N 7.91 0.00 0.00 4.34 5.08 -1.72 0.38 114.58 130.57 1zrp h GLU 14 Ca -0.29 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.90 1zrp h GLU 14 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1zrp h GLU 14 CO 0.54 0.11 -0.83 0.22 -1.00 0.00 0.00 179.01 178.05 1zrp h ASP 15 N 0.00 0.03 0.49 1.42 3.58 -1.88 0.32 116.42 120.38 1zrp h ASP 15 Ca -0.00 -0.02 -0.30 0.00 0.42 0.00 0.00 57.03 57.13 1zrp h ASP 15 Cb 0.49 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1zrp h ASP 15 CO 0.01 0.85 -1.48 0.00 -2.88 0.00 0.00 179.24 175.74 1zrp h ALA 16 N 1.15 0.25 -0.21 -0.78 0.00 -1.45 -3.38 119.26 114.84 1zrp h ALA 16 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1zrp h ALA 16 Cb 1.47 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1zrp h ALA 16 CO 0.11 1.11 0.00 0.41 0.00 0.00 0.00 179.25 180.88 1zrp n GLY 17 N 1.64 -0.45 2.59 0.00 0.00 0.12 -3.90 105.19 105.19 1zrp n GLY 17 Ca -0.15 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.17 -1.24 0.27 1.61 2.03 -0.76 -4.44 116.55 113.84 1zrp n ASP 18 Ca 0.00 -3.26 0.09 0.00 0.52 0.00 0.00 54.79 52.14 1zrp n ASP 18 Cb 0.00 1.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.86 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 2.83 0.00 -0.17 -0.67 0.13 -1.79 0.70 132.00 133.03 1zrp h PRO 19 Ca -0.08 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.88 1zrp h PRO 19 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1zrp h PRO 19 CO 0.21 0.00 -0.58 0.22 -0.23 0.00 0.00 178.00 177.62 1zrp h ASP 20 N 0.00 0.62 -0.16 1.44 3.58 -1.93 -2.14 116.42 117.83 1zrp h ASP 20 Ca 0.00 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 1zrp h ASP 20 Cb 0.96 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 1zrp h ASP 20 CO 0.00 1.07 -0.00 0.59 -2.88 0.00 0.00 179.24 178.01 1zrp n ASN 21 N -3.94 3.30 -2.29 2.28 3.02 0.19 -4.99 115.26 112.83 1zrp n ASN 21 Ca -0.04 -3.05 -0.07 0.00 -0.03 0.00 0.00 54.58 51.39 1zrp n ASN 21 Cb 0.62 -0.50 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.87 -0.03 3.33 7.41 0.00 0.16 -5.04 105.19 110.15 1zrp n GLY 22 Ca 0.19 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.17 2.09 0.19 -0.61 1.09 -0.48 -4.88 121.20 115.43 1zrp s ILE 23 Ca 0.20 -1.36 -0.22 0.00 -1.10 0.00 0.00 60.65 58.17 1zrp s ILE 23 Cb -0.03 -1.79 -0.08 0.00 -1.06 0.00 0.00 42.46 39.50 1zrp s ILE 23 CO 0.33 0.36 0.74 -0.55 -0.10 0.00 0.00 174.94 175.72 1zrp s SER 24 N -1.22 7.19 -0.86 3.58 0.15 -1.26 -1.83 113.70 119.46 1zrp s SER 24 Ca 0.11 1.51 -0.23 0.00 0.70 0.00 0.00 55.95 58.05 1zrp s SER 24 Cb -0.10 -2.45 -0.19 0.00 -1.71 0.00 0.00 66.02 61.57 1zrp s SER 24 CO 0.02 0.11 2.16 -0.81 1.20 0.00 0.00 173.24 175.92 1zrp n PRO 25 N 1.11 0.28 0.00 5.44 -0.05 -1.25 -1.04 135.00 139.49 1zrp n PRO 25 Ca -0.04 -1.03 0.00 0.00 -0.05 0.00 0.00 63.50 62.38 1zrp n PRO 25 Cb 0.50 -3.33 0.00 0.00 -0.05 0.00 0.00 33.50 30.62 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 6.24 0.87 3.85 0.55 0.00 0.11 -4.85 105.19 111.97 1zrp n GLY 26 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.87 4.61 0.08 2.61 2.01 -0.21 -5.00 115.64 118.87 1zrp s THR 27 Ca 0.00 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1zrp s THR 27 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1zrp s THR 27 CO 0.00 -0.73 0.23 -0.54 -0.69 0.00 0.00 174.62 172.89 1zrp s LYS 28 N -4.21 3.45 0.02 4.92 -0.14 -1.26 -4.75 119.74 117.77 1zrp s LYS 28 Ca 0.57 -0.44 -0.16 0.00 -1.36 0.00 0.00 55.97 54.58 1zrp s LYS 28 Cb -0.10 -3.01 -0.09 0.00 -1.68 0.00 0.00 37.83 32.95 1zrp s LYS 28 CO 0.35 0.59 1.14 0.35 -0.76 0.00 0.00 175.35 177.02 1zrp h PHE 29 N 2.91 -0.53 0.00 3.18 3.57 -1.97 0.74 116.94 124.85 1zrp h PHE 29 Ca -0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1zrp h PHE 29 Cb 1.17 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1zrp h PHE 29 CO 0.60 -0.33 0.00 -1.91 -2.23 0.00 0.00 178.31 174.44 1zrp n GLU 30 N -3.64 0.95 -0.31 1.11 2.13 -1.26 0.59 120.64 120.20 1zrp n GLU 30 Ca -0.07 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.83 1zrp n GLU 30 Cb 0.22 -1.17 0.20 0.00 0.27 0.00 0.00 31.44 30.96 1zrp n GLU 30 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1zrp n GLU 31 N -0.67 1.99 -1.28 5.31 4.71 -0.36 -5.02 120.64 125.33 1zrp n GLU 31 Ca 0.08 -2.78 -0.29 0.00 -0.01 0.00 0.00 57.16 54.16 1zrp n GLU 31 Cb 0.04 -1.67 0.16 0.00 -1.01 0.00 0.00 31.44 28.95 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1zrp s LEU 32 N -2.92 1.77 0.62 -4.62 1.43 0.24 -4.56 118.68 110.65 1zrp s LEU 32 Ca 0.37 1.15 -0.17 0.00 -1.03 0.00 0.00 54.13 54.45 1zrp s LEU 32 Cb 0.32 -3.40 -0.10 0.00 0.03 0.00 0.00 46.19 43.05 1zrp s LEU 32 CO 0.04 -2.92 0.27 -0.81 0.23 0.00 0.00 176.35 173.16 1zrp n PRO 33 N -4.03 0.29 0.02 1.29 -0.04 -1.26 -4.89 135.00 126.37 1zrp n PRO 33 Ca 0.06 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1zrp n PRO 33 Cb 0.58 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.06 0.05 -0.76 3.54 5.19 -2.00 -2.40 116.42 119.99 1zrp h ASP 34 Ca -0.44 -0.07 -0.47 0.00 -0.62 0.00 0.00 57.03 55.42 1zrp h ASP 34 Cb 1.39 -0.01 -0.27 0.00 0.18 0.00 0.00 39.33 40.63 1zrp h ASP 34 CO 0.43 0.11 0.21 0.47 -3.12 0.00 0.00 179.24 177.34 1zrp n ASP 35 N -5.03 4.81 -4.67 6.45 9.92 -1.26 -4.99 116.55 121.78 1zrp n ASP 35 Ca -0.07 -3.75 -0.42 0.00 -0.53 0.00 0.00 54.79 50.02 1zrp n ASP 35 Cb 0.06 -0.72 -0.03 0.00 -0.64 0.00 0.00 41.12 39.79 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 -3.51 1.73 0.28 1.24 -0.00 -0.91 -4.89 118.94 112.88 1zrp s TRP 36 Ca 0.55 -0.19 0.09 0.00 -0.00 0.00 0.00 56.10 56.55 1zrp s TRP 36 Cb 0.45 -4.17 -0.05 0.00 -0.00 0.00 0.00 33.47 29.70 1zrp s TRP 36 CO 0.02 -5.02 -0.12 0.14 -0.00 0.00 0.00 176.95 171.98 1zrp s VAL 37 N 3.71 1.96 0.03 5.86 -7.23 -1.26 -1.39 120.40 122.07 1zrp s VAL 37 Ca 0.83 -2.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1zrp s VAL 37 Cb -0.42 -2.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.07 1zrp s VAL 37 CO 0.38 -0.37 1.83 0.00 -0.31 0.00 0.00 175.10 176.63 1zrp h PRO 39 N 9.80 0.00 0.00 0.00 0.11 -1.93 -1.74 132.00 138.24 1zrp h PRO 39 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1zrp h PRO 39 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1zrp h PRO 39 CO 0.94 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.84 1zrp n ILE 40 N -3.22 0.00 0.11 4.15 -0.00 -1.26 -4.84 119.36 114.30 1zrp n ILE 40 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 62.74 1zrp n ILE 40 Cb 0.16 -0.59 -0.01 0.00 -0.00 0.00 0.00 39.64 39.19 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 1.28 2.32 3.65 0.00 0.00 -0.66 -5.03 105.19 106.75 1zrp n GLY 42 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.20 3.43 1.05 4.61 0.00 -1.26 -4.03 121.76 123.35 1zrp s ALA 43 Ca 0.00 1.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.83 1zrp s ALA 43 Cb 0.00 -3.87 -0.07 0.00 0.00 0.00 0.00 23.12 19.18 1zrp s ALA 43 CO 0.00 -1.77 -0.92 -0.35 0.00 0.00 0.00 175.76 172.72 1zrp n PRO 44 N 7.69 -0.68 0.08 0.00 -0.04 -1.26 0.58 135.00 141.36 1zrp n PRO 44 Ca 0.21 -0.19 0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1zrp n PRO 44 Cb 0.42 -1.29 0.31 0.00 -0.04 0.00 0.00 33.50 32.90 1zrp n PRO 44 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1zrp n LYS 45 N 0.60 0.07 0.29 0.54 -0.00 -0.49 -1.48 118.16 117.70 1zrp n LYS 45 Ca -0.01 0.54 0.16 0.00 -0.00 0.00 0.00 58.31 59.00 1zrp n LYS 45 Cb 0.70 -1.72 0.86 0.00 -0.00 0.00 0.00 35.03 34.87 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 -0.63 -5.58 0.87 -1.87 -2.00 113.55 104.35 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 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1zrp h SER 46 CO 0.00 0.06 0.00 -0.62 -0.53 0.00 0.00 176.83 175.74 1zrp n GLU 47 N -3.53 3.64 -3.64 2.24 -0.58 -0.55 -4.79 120.64 113.43 1zrp n GLU 47 Ca -0.02 -2.85 -0.40 0.00 -0.42 0.00 0.00 57.16 53.47 1zrp n GLU 47 Cb 0.18 -1.85 -0.10 0.00 -0.57 0.00 0.00 31.44 29.09 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 -1.81 3.34 -0.07 -0.32 0.40 -0.75 -2.00 117.98 116.77 1zrp s PHE 48 Ca 0.50 -1.58 -0.22 0.00 -0.60 0.00 0.00 56.93 55.03 1zrp s PHE 48 Cb 0.32 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.92 1zrp s PHE 48 CO 0.24 -0.84 0.65 -2.00 0.70 0.00 0.00 175.22 173.97 1zrp s GLU 49 N 1.40 4.41 -0.01 0.44 2.56 0.20 -4.76 118.70 122.94 1zrp s GLU 49 Ca 0.03 0.78 -0.30 0.00 0.00 0.00 0.00 54.97 55.48 1zrp s GLU 49 Cb -0.22 -3.44 -0.05 0.00 2.00 0.00 0.00 34.13 32.42 1zrp s GLU 49 CO 0.02 0.11 1.38 -1.59 -0.56 0.00 0.00 175.26 174.61 1zrp s LYS 50 N 0.69 4.29 -0.50 4.30 0.00 -1.26 -0.14 119.74 127.12 1zrp s LYS 50 Ca 0.35 1.93 0.08 0.00 0.00 0.00 0.00 55.97 58.33 1zrp s LYS 50 Cb -0.17 -3.57 0.31 0.00 0.00 0.00 0.00 37.83 34.40 1zrp s LYS 50 CO 0.16 -0.56 0.79 -0.11 0.00 0.00 0.00 175.35 175.63 1zrp n LEU 51 N 5.37 2.70 -3.74 2.77 7.94 -0.78 -4.91 117.00 126.34 1zrp n LEU 51 Ca 0.13 -5.31 -0.29 0.00 -1.11 0.00 0.00 56.01 49.43 1zrp n LEU 51 Cb 0.44 -0.05 -0.16 0.00 0.53 0.00 0.00 43.42 44.19 1zrp n LEU 51 CO 0.58 2.24 -0.35 -0.70 -1.11 0.00 0.00 177.39 178.05 1zrp s GLU 52 N -2.66 0.74 0.00 1.96 2.12 -1.26 -4.75 118.70 114.85 1zrp s GLU 52 Ca 0.43 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1zrp s GLU 52 Cb 0.26 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.60 1zrp s GLU 52 CO -0.09 -0.81 0.00 -0.25 -0.54 0.00 0.00 175.26 173.57