#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 2.90 0.09 0.00 -0.14 -1.26 -2.11 119.74 119.22 1zrp s LYS 2 Ca 0.00 -0.66 0.09 0.00 -1.36 0.00 0.00 55.97 54.03 1zrp s LYS 2 Cb 0.00 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.60 1zrp s LYS 2 CO 0.00 0.47 -0.23 -1.58 -0.76 0.00 0.00 175.35 173.25 1zrp s TRP 3 N -0.31 1.96 0.23 3.18 0.52 0.80 -2.19 118.94 123.13 1zrp s TRP 3 Ca 0.03 -0.40 0.12 0.00 0.02 0.00 0.00 56.10 55.87 1zrp s TRP 3 Cb -0.13 -1.10 -0.05 0.00 -1.15 0.00 0.00 33.47 31.05 1zrp s TRP 3 CO 0.03 0.21 -0.22 0.54 0.02 0.00 0.00 176.95 177.52 1zrp s VAL 4 N -1.03 2.41 -0.35 4.03 0.11 0.20 0.44 120.40 126.21 1zrp s VAL 4 Ca 0.09 -2.19 -0.25 0.00 -2.93 0.00 0.00 61.98 56.70 1zrp s VAL 4 Cb -0.10 -2.20 0.01 0.00 -1.53 0.00 0.00 36.38 32.56 1zrp s VAL 4 CO 0.04 -0.23 0.88 0.00 -3.33 0.00 0.00 175.10 172.46 1zrp h LYS 6 N 8.35 0.00 0.00 0.00 3.11 -1.73 -1.84 116.57 124.45 1zrp h LYS 6 Ca -0.23 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 1zrp h LYS 6 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1zrp h LYS 6 CO 0.95 0.02 0.00 -0.89 -2.81 0.00 0.00 179.45 176.72 1zrp n ILE 7 N -3.48 0.00 0.01 2.00 -0.00 -1.26 -4.69 119.36 111.93 1zrp n ILE 7 Ca -0.03 0.46 -0.06 0.00 -0.00 0.00 0.00 62.75 63.12 1zrp n ILE 7 Cb 0.12 -1.40 -0.12 0.00 -0.00 0.00 0.00 39.64 38.24 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 1.47 0.97 3.66 0.00 0.00 -0.69 -5.08 105.19 105.52 1zrp n GLY 9 Ca -0.12 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 2.01 -0.05 1.61 5.04 -1.26 -4.78 117.35 117.92 1zrp s TYR 10 Ca 0.00 0.96 -0.04 0.00 -2.44 0.00 0.00 57.07 55.55 1zrp s TYR 10 Cb 0.00 -3.27 0.02 0.00 0.35 0.00 0.00 41.96 39.06 1zrp s TYR 10 CO 0.00 -3.03 0.12 0.42 -1.34 0.00 0.00 175.55 171.72 1zrp s ILE 11 N -2.94 -0.01 -0.12 3.14 1.09 -1.26 0.59 121.20 121.68 1zrp s ILE 11 Ca 0.66 0.03 -0.10 0.00 -1.10 0.00 0.00 60.65 60.13 1zrp s ILE 11 Cb -0.19 -0.17 -0.05 0.00 -1.06 0.00 0.00 42.46 40.99 1zrp s ILE 11 CO 0.58 0.01 0.22 -0.47 -0.10 0.00 0.00 174.94 175.19 1zrp s TYR 12 N 0.24 3.56 -0.26 3.97 5.04 0.17 -4.95 117.35 125.12 1zrp s TYR 12 Ca -0.01 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 1zrp s TYR 12 Cb -0.03 -2.13 0.04 0.00 0.35 0.00 0.00 41.96 40.19 1zrp s TYR 12 CO -0.01 0.53 -0.08 0.34 -1.34 0.00 0.00 175.55 174.99 1zrp s ASP 13 N -0.47 4.34 0.54 4.32 2.15 -1.26 -0.14 116.67 126.15 1zrp s ASP 13 Ca 0.16 -1.11 0.36 0.00 0.43 0.00 0.00 52.55 52.39 1zrp s ASP 13 Cb -0.13 -1.61 1.88 0.00 -0.30 0.00 0.00 42.92 42.76 1zrp s ASP 13 CO 0.05 -0.16 2.10 -0.33 -0.17 0.00 0.00 175.17 176.66 1zrp h GLU 14 N 7.92 0.00 0.00 4.34 5.08 -1.68 -1.83 114.58 128.41 1zrp h GLU 14 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1zrp h GLU 14 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1zrp h GLU 14 CO 0.53 0.00 -0.56 0.22 -1.00 0.00 0.00 179.01 178.20 1zrp h ASP 15 N 0.00 0.00 0.00 1.42 3.58 -1.83 -1.94 116.42 117.65 1zrp h ASP 15 Ca 0.00 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1zrp h ASP 15 Cb 0.10 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 1zrp h ASP 15 CO 0.00 0.01 -1.93 0.00 -2.88 0.00 0.00 179.24 174.44 1zrp n ALA 16 N -2.11 2.66 0.00 -0.78 0.00 -0.70 -4.11 120.51 115.47 1zrp n ALA 16 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1zrp n ALA 16 Cb 0.53 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 1.40 -0.07 2.94 0.00 0.00 -1.12 -3.76 105.19 104.58 1zrp n GLY 17 Ca -0.05 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 44.88 1zrp n GLY 17 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zrp s ASP 18 N -4.00 -0.79 0.53 1.61 1.47 0.20 -4.59 116.67 111.10 1zrp s ASP 18 Ca 0.00 -0.40 0.33 0.00 1.18 0.00 0.00 52.55 53.66 1zrp s ASP 18 Cb 0.00 1.02 1.49 0.00 -0.34 0.00 0.00 42.92 45.09 1zrp s ASP 18 CO 0.00 -0.09 1.85 -0.65 0.68 0.00 0.00 175.17 176.96 1zrp h PRO 19 N 6.05 0.03 -0.33 2.11 0.10 -1.86 0.64 132.00 138.73 1zrp h PRO 19 Ca -0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 66.00 66.07 1zrp h PRO 19 Cb 1.21 -0.01 -0.02 0.00 0.10 0.00 0.00 31.00 32.29 1zrp h PRO 19 CO -0.01 0.02 0.11 0.22 0.10 0.00 0.00 178.00 178.44 1zrp h ASP 20 N 0.03 0.43 0.00 -2.05 1.82 -1.96 -1.88 116.42 112.80 1zrp h ASP 20 Ca 0.49 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.09 1zrp h ASP 20 Cb 1.92 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.82 1zrp h ASP 20 CO -0.02 0.41 -0.73 0.59 -1.61 0.00 0.00 179.24 177.88 1zrp n ASN 21 N -4.38 1.07 -0.73 2.28 3.02 -0.84 -5.02 115.26 110.66 1zrp n ASN 21 Ca 0.02 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1zrp n ASN 21 Cb 0.15 1.13 0.00 0.00 -0.61 0.00 0.00 39.78 40.45 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 1.42 0.52 3.55 7.41 0.00 0.24 -5.07 105.19 113.26 1zrp n GLY 22 Ca 0.01 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.42 4.63 0.15 -0.61 1.09 0.20 -4.89 121.20 119.35 1zrp s ILE 23 Ca 0.00 -0.08 -0.20 0.00 -1.10 0.00 0.00 60.65 59.28 1zrp s ILE 23 Cb 0.00 -3.13 -0.07 0.00 -1.06 0.00 0.00 42.46 38.20 1zrp s ILE 23 CO 0.00 0.39 0.65 -0.44 -0.10 0.00 0.00 174.94 175.44 1zrp s SER 24 N 1.03 7.08 -0.30 3.58 0.01 -1.26 0.58 113.70 124.42 1zrp s SER 24 Ca 0.04 1.35 -0.29 0.00 1.31 0.00 0.00 55.95 58.37 1zrp s SER 24 Cb -0.14 -2.39 -0.32 0.00 0.21 0.00 0.00 66.02 63.38 1zrp s SER 24 CO 0.03 0.15 1.72 -2.65 0.41 0.00 0.00 173.24 172.91 1zrp n PRO 25 N 1.21 0.27 0.00 12.44 -0.02 -1.25 -1.14 135.00 146.50 1zrp n PRO 25 Ca -0.06 -1.26 0.00 0.00 -2.02 0.00 0.00 63.50 60.16 1zrp n PRO 25 Cb 0.51 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 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 5.13 0.19 3.74 -1.23 0.00 -0.73 -4.64 105.19 107.64 1zrp n GLY 26 Ca 0.46 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 2.12 0.48 2.61 2.01 -0.29 -4.89 115.64 117.68 1zrp s THR 27 Ca 0.00 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.10 1zrp s THR 27 Cb 0.00 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.49 1zrp s THR 27 CO 0.00 -0.01 0.69 -0.75 -0.69 0.00 0.00 174.62 173.85 1zrp s LYS 28 N -3.26 2.82 0.02 4.92 2.47 -1.26 -4.60 119.74 120.84 1zrp s LYS 28 Ca 0.80 -0.74 -0.15 0.00 -1.56 0.00 0.00 55.97 54.32 1zrp s LYS 28 Cb -0.37 -2.57 -0.08 0.00 -1.46 0.00 0.00 37.83 33.35 1zrp s LYS 28 CO 0.41 -0.44 1.13 0.35 0.16 0.00 0.00 175.35 176.96 1zrp h PHE 29 N 0.32 -0.49 0.00 4.03 3.57 -1.96 0.15 116.94 122.57 1zrp h PHE 29 Ca -0.44 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1zrp h PHE 29 Cb 1.28 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.18 1zrp h PHE 29 CO 0.41 -0.30 0.00 -1.91 -2.23 0.00 0.00 178.31 174.28 1zrp n GLU 30 N -3.51 0.95 0.01 1.11 0.00 -1.26 0.19 120.64 118.13 1zrp n GLU 30 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.20 1zrp n GLU 30 Cb 0.21 -1.06 -0.02 0.00 0.00 0.00 0.00 31.44 30.57 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 -0.56 0.23 -0.56 5.31 4.07 -0.22 -4.93 120.64 123.98 1zrp n GLU 31 Ca 0.03 -0.03 -0.28 0.00 -0.06 0.00 0.00 57.16 56.81 1zrp n GLU 31 Cb 0.01 -1.55 0.25 0.00 -0.06 0.00 0.00 31.44 30.08 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 -3.68 1.00 0.67 4.31 1.43 0.13 -4.82 118.68 117.72 1zrp s LEU 32 Ca 0.04 1.57 -0.17 0.00 -1.03 0.00 0.00 54.13 54.55 1zrp s LEU 32 Cb 0.15 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1zrp s LEU 32 CO 0.82 -4.12 0.70 -2.65 0.23 0.00 0.00 176.35 171.33 1zrp n PRO 33 N -4.87 0.48 0.13 1.29 -0.02 -1.26 -4.89 135.00 125.85 1zrp n PRO 33 Ca 0.04 0.20 -0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1zrp n PRO 33 Cb 0.54 -1.95 0.12 0.00 -0.02 0.00 0.00 33.50 32.19 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 -0.10 0.00 1.02 2.55 3.32 -1.96 -1.25 116.42 120.01 1zrp h ASP 34 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1zrp h ASP 34 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1zrp h ASP 34 CO 0.46 0.64 0.00 -0.78 -1.72 0.00 0.00 179.24 177.83 1zrp h ASP 35 N 0.00 0.00 -2.24 6.45 3.58 -2.04 -3.45 116.42 118.72 1zrp h ASP 35 Ca -0.01 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.88 1zrp h ASP 35 Cb 1.26 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.31 1zrp h ASP 35 CO 0.08 0.00 1.34 0.86 -2.88 0.00 0.00 179.24 178.64 1zrp s TRP 36 N -3.49 1.31 0.10 0.28 -0.00 -0.47 -4.94 118.94 111.72 1zrp s TRP 36 Ca 0.03 0.10 0.00 0.00 -0.00 0.00 0.00 56.10 56.23 1zrp s TRP 36 Cb 0.09 -4.08 -0.00 0.00 -0.00 0.00 0.00 33.47 29.48 1zrp s TRP 36 CO 0.51 -4.63 0.01 1.33 -0.00 0.00 0.00 176.95 174.17 1zrp n VAL 37 N 6.64 0.00 -2.15 5.86 0.24 -1.26 -2.08 118.33 125.58 1zrp n VAL 37 Ca 0.24 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.34 61.60 1zrp n VAL 37 Cb 0.43 0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.92 1zrp n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1zrp h PRO 39 N 8.29 0.00 0.00 0.00 0.11 -1.93 -1.74 132.00 136.73 1zrp h PRO 39 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1zrp h PRO 39 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1zrp h PRO 39 CO 0.92 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.82 1zrp n ILE 40 N -3.39 0.00 0.20 4.15 -0.00 -1.26 -4.84 119.36 114.22 1zrp n ILE 40 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 62.75 62.90 1zrp n ILE 40 Cb 0.59 -0.93 0.14 0.00 -0.00 0.00 0.00 39.64 39.44 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 1.13 2.22 3.64 0.00 0.00 -0.66 -4.99 105.19 106.53 1zrp n GLY 42 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.48 3.29 0.97 4.61 0.00 -1.26 -3.87 121.76 123.02 1zrp s ALA 43 Ca 0.00 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.87 1zrp s ALA 43 Cb 0.00 -3.91 0.02 0.00 0.00 0.00 0.00 23.12 19.23 1zrp s ALA 43 CO 0.00 -1.97 0.24 -2.30 0.00 0.00 0.00 175.76 171.73 1zrp n PRO 44 N 7.90 -0.39 0.04 0.00 -0.01 -1.26 -0.62 135.00 140.66 1zrp n PRO 44 Ca 0.23 -0.08 0.03 0.00 -0.01 0.00 0.00 63.50 63.67 1zrp n PRO 44 Cb 0.43 -1.76 0.16 0.00 -0.01 0.00 0.00 33.50 32.32 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 -1.32 0.03 0.30 -0.52 2.85 -0.88 0.08 118.16 118.71 1zrp n LYS 45 Ca 0.05 0.50 0.20 0.00 -1.05 0.00 0.00 58.31 58.02 1zrp n LYS 45 Cb 0.55 -1.60 1.07 0.00 -0.65 0.00 0.00 35.03 34.39 1zrp n LYS 45 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1zrp h SER 46 N 0.00 0.00 -0.20 -5.58 4.64 -1.87 -1.18 113.55 109.36 1zrp h SER 46 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1zrp h SER 46 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1zrp h SER 46 CO 0.00 0.00 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.30 1zrp n GLU 47 N -2.93 2.19 -3.81 4.77 1.02 0.11 -4.93 120.64 117.06 1zrp n GLU 47 Ca -0.02 -2.88 -0.37 0.00 -0.02 0.00 0.00 57.16 53.87 1zrp n GLU 47 Cb 0.08 -1.74 -0.13 0.00 -0.02 0.00 0.00 31.44 29.63 1zrp n GLU 47 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1zrp s PHE 48 N -2.96 3.17 0.56 -0.32 0.40 -0.45 -2.12 117.98 116.26 1zrp s PHE 48 Ca 0.40 -1.30 -0.17 0.00 -0.60 0.00 0.00 56.93 55.26 1zrp s PHE 48 Cb 0.34 -2.21 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 1zrp s PHE 48 CO 0.05 -0.67 1.06 -2.00 0.70 0.00 0.00 175.22 174.36 1zrp s GLU 49 N 1.42 3.43 -0.19 0.44 -6.30 0.20 -4.81 118.70 112.88 1zrp s GLU 49 Ca 0.00 1.31 -0.04 0.00 -2.50 0.00 0.00 54.97 53.74 1zrp s GLU 49 Cb -0.18 -2.04 -0.02 0.00 0.00 0.00 0.00 34.13 31.89 1zrp s GLU 49 CO 0.01 -0.73 -0.04 -1.59 0.02 0.00 0.00 175.26 172.93 1zrp s LYS 50 N -3.75 3.52 -0.56 4.30 0.00 -1.26 0.58 119.74 122.57 1zrp s LYS 50 Ca 0.66 -0.58 0.07 0.00 0.00 0.00 0.00 55.97 56.12 1zrp s LYS 50 Cb -0.17 -2.97 0.25 0.00 0.00 0.00 0.00 37.83 34.93 1zrp s LYS 50 CO 0.31 0.00 0.67 -0.11 0.00 0.00 0.00 175.35 176.22 1zrp n LEU 51 N 4.23 2.53 -0.05 2.77 7.94 -0.93 -4.88 117.00 128.61 1zrp n LEU 51 Ca -0.18 -5.18 -0.01 0.00 -1.11 0.00 0.00 56.01 49.54 1zrp n LEU 51 Cb 0.52 -0.22 -0.13 0.00 0.53 0.00 0.00 43.42 44.11 1zrp n LEU 51 CO 0.31 2.06 -0.89 1.21 -1.11 0.00 0.00 177.39 178.96 1zrp n GLU 52 N 1.07 0.95 0.00 1.96 2.13 -1.26 -4.54 120.64 120.96 1zrp n GLU 52 Ca 0.27 -0.08 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1zrp n GLU 52 Cb 0.45 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.73 1zrp n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25