#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 2.93 0.15 0.00 1.02 -1.26 -2.14 119.74 120.44 1zrp s LYS 2 Ca 0.00 -0.68 0.09 0.00 0.02 0.00 0.00 55.97 55.40 1zrp s LYS 2 Cb 0.00 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1zrp s LYS 2 CO 0.00 0.43 -0.17 -1.58 -0.92 0.00 0.00 175.35 173.12 1zrp s TRP 3 N -0.23 2.52 0.17 3.18 0.52 -0.08 -0.92 118.94 124.09 1zrp s TRP 3 Ca 0.01 -0.27 0.11 0.00 0.02 0.00 0.00 56.10 55.97 1zrp s TRP 3 Cb -0.13 -1.29 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 1zrp s TRP 3 CO 0.03 0.44 -0.22 0.54 0.02 0.00 0.00 176.95 177.77 1zrp s VAL 4 N -1.41 2.52 -0.34 4.03 0.11 -0.70 0.57 120.40 125.19 1zrp s VAL 4 Ca 0.20 -1.85 -0.29 0.00 -2.93 0.00 0.00 61.98 57.11 1zrp s VAL 4 Cb -0.10 -2.19 0.01 0.00 -1.53 0.00 0.00 36.38 32.58 1zrp s VAL 4 CO 0.12 -0.04 1.21 0.00 -3.33 0.00 0.00 175.10 173.05 1zrp n LYS 6 N 7.28 2.48 0.00 0.00 3.00 -0.94 -1.60 118.16 128.39 1zrp n LYS 6 Ca 0.13 -1.35 0.00 0.00 -0.00 0.00 0.00 58.31 57.10 1zrp n LYS 6 Cb 0.47 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.81 1zrp n LYS 6 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1zrp n ILE 7 N 0.33 0.00 0.09 3.15 -0.00 -1.26 -4.88 119.36 116.79 1zrp n ILE 7 Ca 0.12 0.11 -0.19 0.00 -0.00 0.00 0.00 62.75 62.79 1zrp n ILE 7 Cb 0.57 -0.96 -0.15 0.00 -0.00 0.00 0.00 39.64 39.11 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 1.67 1.78 3.86 0.00 0.00 -0.63 -5.10 105.19 106.77 1zrp n GLY 9 Ca -0.15 0.00 -0.29 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 2.78 0.00 1.61 5.04 -1.25 -4.86 117.35 118.67 1zrp s TYR 10 Ca 0.00 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1zrp s TYR 10 Cb 0.00 -3.47 -0.00 0.00 0.35 0.00 0.00 41.96 38.84 1zrp s TYR 10 CO 0.00 -2.00 -0.02 0.42 -1.34 0.00 0.00 175.55 172.61 1zrp s ILE 11 N -3.47 0.11 -0.13 3.14 1.09 -1.26 0.59 121.20 121.26 1zrp s ILE 11 Ca 0.63 -0.21 -0.05 0.00 -1.10 0.00 0.00 60.65 59.91 1zrp s ILE 11 Cb -0.12 -0.13 -0.04 0.00 -1.06 0.00 0.00 42.46 41.11 1zrp s ILE 11 CO 0.51 -0.06 0.06 -0.47 -0.10 0.00 0.00 174.94 174.87 1zrp s TYR 12 N -0.28 3.30 -0.24 3.97 5.04 0.19 -4.95 117.35 124.38 1zrp s TYR 12 Ca -0.02 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.84 1zrp s TYR 12 Cb -0.02 -1.94 0.05 0.00 0.35 0.00 0.00 41.96 40.39 1zrp s TYR 12 CO -0.00 0.40 -0.14 0.34 -1.34 0.00 0.00 175.55 174.81 1zrp s ASP 13 N -0.39 4.05 0.48 4.32 2.15 -1.26 -0.90 116.67 125.12 1zrp s ASP 13 Ca 0.09 -1.16 0.32 0.00 0.43 0.00 0.00 52.55 52.23 1zrp s ASP 13 Cb -0.12 -1.53 1.50 0.00 -0.30 0.00 0.00 42.92 42.47 1zrp s ASP 13 CO 0.02 -0.13 1.97 -0.33 -0.17 0.00 0.00 175.17 176.52 1zrp h GLU 14 N 7.83 0.00 0.00 4.34 5.08 -1.68 0.44 114.58 130.58 1zrp h GLU 14 Ca -0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 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 0.52 0.00 -0.23 0.22 -1.00 0.00 0.00 179.01 178.52 1zrp h ASP 15 N 0.00 0.00 0.00 1.42 3.58 -1.84 -1.29 116.42 118.29 1zrp h ASP 15 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1zrp h ASP 15 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1zrp h ASP 15 CO 0.00 0.10 -1.30 0.00 -2.88 0.00 0.00 179.24 175.15 1zrp n ALA 16 N -2.14 2.43 -0.23 -0.78 0.00 0.14 -4.22 120.51 115.71 1zrp n ALA 16 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1zrp n ALA 16 Cb 0.57 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 1.90 -1.18 2.29 0.00 0.00 0.13 -4.37 105.19 103.97 1zrp n GLY 17 Ca -0.01 -1.23 -0.16 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 -0.49 0.39 -0.02 1.61 2.03 -0.92 -4.53 116.55 114.63 1zrp n ASP 18 Ca 0.00 -3.09 0.22 0.00 0.52 0.00 0.00 54.79 52.44 1zrp n ASP 18 Cb 0.00 -0.24 0.71 0.00 -0.72 0.00 0.00 41.12 40.87 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 2.99 0.00 0.00 -0.67 0.11 -1.81 0.22 132.00 132.84 1zrp h PRO 19 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1zrp h PRO 19 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1zrp h PRO 19 CO 0.44 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.79 1zrp h ASP 20 N 0.00 0.00 0.00 -2.05 3.32 -1.94 -1.34 116.42 114.41 1zrp h ASP 20 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1zrp h ASP 20 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1zrp h ASP 20 CO -0.00 0.00 -0.33 0.59 -1.72 0.00 0.00 179.24 177.77 1zrp n ASN 21 N -3.06 0.72 -1.19 6.45 3.02 -0.05 -5.00 115.26 116.15 1zrp n ASN 21 Ca -0.02 -2.30 -0.02 0.00 -0.03 0.00 0.00 54.58 52.21 1zrp n ASN 21 Cb 0.11 -0.26 0.01 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.43 0.45 3.31 7.41 0.00 -0.50 -5.06 105.19 110.36 1zrp n GLY 22 Ca 0.05 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.04 3.07 0.28 -0.61 1.09 -0.50 -4.96 121.20 116.52 1zrp s ILE 23 Ca 0.02 -0.62 -0.29 0.00 -1.10 0.00 0.00 60.65 58.65 1zrp s ILE 23 Cb -0.01 -2.34 -0.10 0.00 -1.06 0.00 0.00 42.46 38.96 1zrp s ILE 23 CO 0.09 0.48 1.26 -0.44 -0.10 0.00 0.00 174.94 176.22 1zrp s SER 24 N 1.00 6.94 -0.84 3.58 0.01 -1.26 -2.16 113.70 120.97 1zrp s SER 24 Ca -0.01 2.49 -0.23 0.00 1.31 0.00 0.00 55.95 59.52 1zrp s SER 24 Cb -0.15 -2.63 -0.18 0.00 0.21 0.00 0.00 66.02 63.27 1zrp s SER 24 CO -0.01 -0.43 2.30 -0.81 0.41 0.00 0.00 173.24 174.69 1zrp n PRO 25 N 1.47 0.39 0.00 12.44 -0.05 -1.26 -1.34 135.00 146.65 1zrp n PRO 25 Ca 0.02 -0.80 0.00 0.00 -0.05 0.00 0.00 63.50 62.67 1zrp n PRO 25 Cb 0.43 -3.21 0.00 0.00 -0.05 0.00 0.00 33.50 30.67 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 6.45 0.63 3.74 0.55 0.00 -0.49 -4.86 105.19 111.21 1zrp n GLY 26 Ca 0.48 0.00 -0.41 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 -0.71 4.14 0.58 2.61 2.01 -0.45 -4.95 115.64 118.87 1zrp s THR 27 Ca 0.00 1.95 -0.09 0.00 0.31 0.00 0.00 61.69 63.86 1zrp s THR 27 Cb 0.00 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1zrp s THR 27 CO 0.00 0.38 0.96 -0.54 -0.69 0.00 0.00 174.62 174.73 1zrp s LYS 28 N -0.63 3.54 0.02 4.92 1.02 -1.26 -4.61 119.74 122.74 1zrp s LYS 28 Ca 0.45 0.56 -0.15 0.00 0.02 0.00 0.00 55.97 56.84 1zrp s LYS 28 Cb -0.26 -2.17 -0.08 0.00 -0.52 0.00 0.00 37.83 34.79 1zrp s LYS 28 CO 0.33 -0.48 1.13 0.35 -0.92 0.00 0.00 175.35 175.76 1zrp h PHE 29 N -0.16 -0.51 0.00 3.18 3.57 -1.96 0.20 116.94 121.25 1zrp h PHE 29 Ca -0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1zrp h PHE 29 Cb 1.20 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.11 1zrp h PHE 29 CO 0.63 -0.32 0.00 -1.91 -2.23 0.00 0.00 178.31 174.48 1zrp n GLU 30 N -3.61 0.95 -0.50 1.11 2.13 -1.26 0.54 120.64 120.00 1zrp n GLU 30 Ca -0.07 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.82 1zrp n GLU 30 Cb 0.22 -1.15 0.26 0.00 0.27 0.00 0.00 31.44 31.04 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 -0.65 2.90 -2.00 5.31 -0.58 -0.31 -4.98 120.64 120.32 1zrp n GLU 31 Ca 0.07 -2.89 -0.29 0.00 -0.42 0.00 0.00 57.16 53.63 1zrp n GLU 31 Cb 0.03 -1.87 0.06 0.00 -0.57 0.00 0.00 31.44 29.09 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1zrp s LEU 32 N -2.87 2.85 0.75 -4.62 1.43 0.19 -4.52 118.68 111.88 1zrp s LEU 32 Ca 0.43 0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 54.29 1zrp s LEU 32 Cb 0.35 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 1zrp s LEU 32 CO 0.08 -1.46 0.40 -2.65 0.23 0.00 0.00 176.35 172.95 1zrp n PRO 33 N -3.01 0.20 -0.10 1.29 -0.02 -1.26 -4.90 135.00 127.20 1zrp n PRO 33 Ca 0.07 0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.56 1zrp n PRO 33 Cb 0.58 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.31 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 -0.52 0.41 -0.60 2.55 3.32 -1.99 -2.36 116.42 117.23 1zrp h ASP 34 Ca -0.45 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 56.33 1zrp h ASP 34 Cb 1.34 -0.10 -0.10 0.00 0.22 0.00 0.00 39.33 40.69 1zrp h ASP 34 CO 0.40 0.40 0.17 0.47 -1.72 0.00 0.00 179.24 178.96 1zrp n ASP 35 N -4.78 4.47 -4.68 6.45 9.92 -1.26 -4.96 116.55 121.71 1zrp n ASP 35 Ca -0.01 -3.24 -0.42 0.00 -0.53 0.00 0.00 54.79 50.59 1zrp n ASP 35 Cb 0.09 -0.70 -0.03 0.00 -0.64 0.00 0.00 41.12 39.85 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 -2.99 2.10 0.33 1.24 -0.00 -0.89 -4.88 118.94 113.85 1zrp s TRP 36 Ca 0.52 0.14 0.03 0.00 -0.00 0.00 0.00 56.10 56.78 1zrp s TRP 36 Cb 0.42 -4.01 -0.01 0.00 -0.00 0.00 0.00 33.47 29.87 1zrp s TRP 36 CO 0.11 -4.20 0.10 1.33 -0.00 0.00 0.00 176.95 174.29 1zrp n VAL 37 N 5.07 0.00 -2.15 5.86 0.24 -1.26 -1.73 118.33 124.35 1zrp n VAL 37 Ca 0.17 -1.86 -0.42 0.00 -2.04 0.00 0.00 64.34 60.19 1zrp n VAL 37 Cb 0.41 0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 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 8.62 0.00 0.00 0.00 0.10 -1.98 -1.87 132.00 136.87 1zrp h PRO 39 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.73 1zrp h PRO 39 Cb 1.16 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.26 1zrp h PRO 39 CO 0.94 0.00 0.00 -0.89 0.10 0.00 0.00 178.00 178.15 1zrp n ILE 40 N -3.39 0.00 0.20 4.15 -0.00 -1.26 -4.85 119.36 114.20 1zrp n ILE 40 Ca 0.01 0.00 0.09 0.00 -0.00 0.00 0.00 62.75 62.85 1zrp n ILE 40 Cb 0.38 -0.62 0.15 0.00 -0.00 0.00 0.00 39.64 39.54 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 1.08 0.66 3.53 0.00 0.00 -0.71 -5.01 105.19 104.75 1zrp n GLY 42 Ca 0.03 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.04 3.35 1.05 4.61 0.00 -1.26 -4.68 121.76 122.79 1zrp s ALA 43 Ca 0.00 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 1zrp s ALA 43 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1zrp s ALA 43 CO 0.00 -1.75 -0.26 -2.30 0.00 0.00 0.00 175.76 171.45 1zrp n PRO 44 N 6.34 -0.89 0.08 0.00 -0.01 -1.26 -0.78 135.00 138.48 1zrp n PRO 44 Ca -0.01 -0.24 0.06 0.00 -0.01 0.00 0.00 63.50 63.30 1zrp n PRO 44 Cb 0.48 -1.55 0.30 0.00 -0.01 0.00 0.00 33.50 32.72 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 -0.77 0.07 -0.01 -0.52 -0.00 -0.71 -2.05 118.16 114.18 1zrp n LYS 45 Ca 0.01 0.55 0.02 0.00 -0.00 0.00 0.00 58.31 58.89 1zrp n LYS 45 Cb 0.62 -1.72 0.36 0.00 -0.00 0.00 0.00 35.03 34.30 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 0.49 -0.44 -5.58 0.87 -1.87 -1.59 113.55 105.44 1zrp h SER 46 Ca 0.00 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 1zrp h SER 46 Cb 0.03 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.80 1zrp h SER 46 CO 0.00 0.44 0.07 -0.62 -0.53 0.00 0.00 176.83 176.19 1zrp n GLU 47 N -4.39 3.08 -3.06 2.24 4.71 -0.87 -4.81 120.64 117.54 1zrp n GLU 47 Ca 0.03 -3.00 -0.44 0.00 -0.01 0.00 0.00 57.16 53.74 1zrp n GLU 47 Cb 0.14 -1.98 -0.05 0.00 -1.01 0.00 0.00 31.44 28.54 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 -2.96 2.96 -0.19 -0.32 0.40 -0.60 -2.21 117.98 115.06 1zrp s PHE 48 Ca 0.47 -0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 55.98 1zrp s PHE 48 Cb 0.39 -3.80 0.00 0.00 0.51 0.00 0.00 43.02 40.12 1zrp s PHE 48 CO 0.09 -1.20 1.04 -2.00 0.70 0.00 0.00 175.22 173.85 1zrp s GLU 49 N 3.01 4.30 0.27 0.44 2.56 0.20 -4.80 118.70 124.69 1zrp s GLU 49 Ca 0.18 1.39 -0.30 0.00 0.00 0.00 0.00 54.97 56.23 1zrp s GLU 49 Cb -0.19 -3.62 -0.11 0.00 2.00 0.00 0.00 34.13 32.21 1zrp s GLU 49 CO 0.12 -0.55 1.57 -1.59 -0.56 0.00 0.00 175.26 174.25 1zrp s LYS 50 N 2.89 4.15 -0.68 4.30 0.00 -1.26 -1.71 119.74 127.42 1zrp s LYS 50 Ca 0.46 2.52 0.01 0.00 0.00 0.00 0.00 55.97 58.96 1zrp s LYS 50 Cb -0.16 -3.05 0.38 0.00 0.00 0.00 0.00 37.83 35.00 1zrp s LYS 50 CO 0.10 -0.60 1.57 -0.11 0.00 0.00 0.00 175.35 176.31 1zrp n LEU 51 N 2.38 6.19 -4.18 2.77 7.94 -0.10 -4.85 117.00 127.15 1zrp n LEU 51 Ca 0.09 -5.09 -0.19 0.00 -1.11 0.00 0.00 56.01 49.70 1zrp n LEU 51 Cb 0.38 -0.80 -0.12 0.00 0.53 0.00 0.00 43.42 43.41 1zrp n LEU 51 CO 0.63 2.01 -0.47 -0.70 -1.11 0.00 0.00 177.39 177.76 1zrp s GLU 52 N -3.84 0.88 0.00 1.96 2.56 -1.26 -4.77 118.70 114.22 1zrp s GLU 52 Ca 0.49 -0.93 0.12 0.00 0.00 0.00 0.00 54.97 54.65 1zrp s GLU 52 Cb 0.40 -0.92 0.10 0.00 2.00 0.00 0.00 34.13 35.71 1zrp s GLU 52 CO -0.29 0.21 0.89 -3.47 -0.56 0.00 0.00 175.26 172.04