#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 0.81 -0.19 0.00 -2.85 -1.26 -2.01 119.74 114.24 1zrp s LYS 2 Ca 0.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 55.97 54.85 1zrp s LYS 2 Cb 0.00 -0.83 -0.00 0.00 -2.06 0.00 0.00 37.83 34.93 1zrp s LYS 2 CO 0.00 -0.09 -0.09 -1.58 0.10 0.00 0.00 175.35 173.69 1zrp s TRP 3 N 0.94 2.89 0.54 1.78 0.52 0.29 -1.75 118.94 124.14 1zrp s TRP 3 Ca -0.11 -0.99 -0.05 0.00 0.02 0.00 0.00 56.10 54.97 1zrp s TRP 3 Cb -0.14 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.16 1zrp s TRP 3 CO -0.00 -0.51 0.84 0.54 0.02 0.00 0.00 176.95 177.84 1zrp s VAL 4 N 1.17 4.26 -0.29 4.03 0.11 0.14 0.59 120.40 130.41 1zrp s VAL 4 Ca 0.02 0.09 -0.19 0.00 -2.93 0.00 0.00 61.98 58.97 1zrp s VAL 4 Cb -0.14 -3.65 -0.02 0.00 -1.53 0.00 0.00 36.38 31.04 1zrp s VAL 4 CO -0.03 -0.65 0.54 0.00 -3.33 0.00 0.00 175.10 171.64 1zrp n LYS 6 N 5.68 2.23 0.00 0.00 3.00 -0.86 -1.51 118.16 126.70 1zrp n LYS 6 Ca -0.03 -1.17 0.00 0.00 -0.00 0.00 0.00 58.31 57.10 1zrp n LYS 6 Cb 0.49 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.93 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 0.29 0.00 0.10 3.15 -0.00 -1.26 -4.91 119.36 116.72 1zrp n ILE 7 Ca 0.11 0.08 -0.21 0.00 -0.00 0.00 0.00 62.75 62.72 1zrp n ILE 7 Cb 0.49 -1.08 -0.15 0.00 -0.00 0.00 0.00 39.64 38.90 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 1.74 1.33 3.68 0.00 0.00 -0.57 -5.07 105.19 106.29 1zrp n GLY 9 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 1.95 0.14 1.61 5.04 -1.26 -4.78 117.35 118.05 1zrp s TYR 10 Ca 0.00 1.53 0.07 0.00 -2.44 0.00 0.00 57.07 56.23 1zrp s TYR 10 Cb 0.00 -3.20 -0.04 0.00 0.35 0.00 0.00 41.96 39.07 1zrp s TYR 10 CO 0.00 -2.65 -0.16 0.42 -1.34 0.00 0.00 175.55 171.81 1zrp s ILE 11 N -2.74 1.57 -0.11 3.14 -1.09 -1.26 0.59 121.20 121.29 1zrp s ILE 11 Ca 0.65 -1.81 -0.00 0.00 -2.23 0.00 0.00 60.65 57.25 1zrp s ILE 11 Cb -0.21 -1.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.97 1zrp s ILE 11 CO 0.58 -0.37 -0.10 -0.47 -1.23 0.00 0.00 174.94 173.36 1zrp s TYR 12 N -2.09 2.87 -0.33 3.97 5.04 0.20 -4.95 117.35 122.06 1zrp s TYR 12 Ca 0.12 -0.37 -0.02 0.00 -2.44 0.00 0.00 57.07 54.36 1zrp s TYR 12 Cb -0.05 -1.82 0.06 0.00 0.35 0.00 0.00 41.96 40.50 1zrp s TYR 12 CO 0.05 -0.01 0.05 0.34 -1.34 0.00 0.00 175.55 174.64 1zrp s ASP 13 N -0.02 5.01 0.44 4.32 2.15 -1.26 -0.55 116.67 126.77 1zrp s ASP 13 Ca -0.02 -1.44 0.19 0.00 0.43 0.00 0.00 52.55 51.72 1zrp s ASP 13 Cb -0.14 -1.75 1.03 0.00 -0.30 0.00 0.00 42.92 41.76 1zrp s ASP 13 CO 0.04 -0.33 1.93 -0.33 -0.17 0.00 0.00 175.17 176.31 1zrp h GLU 14 N 8.02 0.00 -0.03 4.34 5.08 -1.70 0.16 114.58 130.45 1zrp h GLU 14 Ca -0.19 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.03 1zrp h GLU 14 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1zrp h GLU 14 CO 0.57 0.24 -0.63 0.22 -1.00 0.00 0.00 179.01 178.42 1zrp h ASP 15 N 0.00 0.13 0.86 1.42 1.82 -1.86 -3.25 116.42 115.55 1zrp h ASP 15 Ca -0.00 -0.08 -0.11 0.00 -0.39 0.00 0.00 57.03 56.44 1zrp h ASP 15 Cb 0.52 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 1zrp h ASP 15 CO 0.03 0.73 -1.21 0.00 -1.61 0.00 0.00 179.24 177.18 1zrp h ALA 16 N 1.27 0.62 -0.07 -0.78 0.00 -1.43 -3.42 119.26 115.46 1zrp h ALA 16 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1zrp h ALA 16 Cb 1.13 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1zrp h ALA 16 CO 0.09 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1zrp n GLY 17 N 1.32 -1.25 2.63 0.00 0.00 0.40 -4.52 105.19 103.76 1zrp n GLY 17 Ca -0.06 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.13 -1.45 0.23 1.61 2.03 -0.96 -4.49 116.55 113.38 1zrp n ASP 18 Ca 0.00 -3.26 0.13 0.00 0.52 0.00 0.00 54.79 52.18 1zrp n ASP 18 Cb 0.00 1.14 0.67 0.00 -0.72 0.00 0.00 41.12 42.21 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 2.79 0.00 0.00 -0.67 0.13 -1.83 0.61 132.00 133.03 1zrp h PRO 19 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1zrp h PRO 19 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1zrp h PRO 19 CO 0.18 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.17 1zrp h ASP 20 N 0.00 0.00 0.00 1.44 3.58 -1.94 -1.74 116.42 117.76 1zrp h ASP 20 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1zrp h ASP 20 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1zrp h ASP 20 CO 0.00 0.00 -0.16 0.59 -2.88 0.00 0.00 179.24 176.79 1zrp n ASN 21 N -2.69 1.47 -1.99 2.28 3.02 0.20 -5.01 115.26 112.55 1zrp n ASN 21 Ca 0.03 -2.58 -0.08 0.00 -0.03 0.00 0.00 54.58 51.92 1zrp n ASN 21 Cb 0.38 -0.31 0.04 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.85 0.16 3.73 7.41 0.00 -0.12 -5.05 105.19 110.46 1zrp n GLY 22 Ca 0.09 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.15 4.66 0.07 -0.61 1.09 -0.66 -4.92 121.20 117.68 1zrp s ILE 23 Ca 0.07 -0.11 -0.18 0.00 -1.10 0.00 0.00 60.65 59.33 1zrp s ILE 23 Cb -0.03 -2.99 -0.07 0.00 -1.06 0.00 0.00 42.46 38.31 1zrp s ILE 23 CO 0.31 0.60 0.55 -0.44 -0.10 0.00 0.00 174.94 175.86 1zrp s SER 24 N -0.80 7.02 -0.25 3.58 0.01 -1.26 -2.26 113.70 119.74 1zrp s SER 24 Ca 0.13 1.22 -0.26 0.00 1.31 0.00 0.00 55.95 58.34 1zrp s SER 24 Cb -0.12 -2.34 -0.29 0.00 0.21 0.00 0.00 66.02 63.48 1zrp s SER 24 CO 0.03 0.27 1.57 -0.81 0.41 0.00 0.00 173.24 174.71 1zrp n PRO 25 N 1.65 0.02 0.00 12.44 -0.05 -1.26 -1.14 135.00 146.66 1zrp n PRO 25 Ca -0.10 -1.02 0.00 0.00 -0.05 0.00 0.00 63.50 62.33 1zrp n PRO 25 Cb 0.51 -2.62 0.00 0.00 -0.05 0.00 0.00 33.50 31.34 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 5.08 0.13 3.77 0.55 0.00 -1.23 -4.92 105.19 108.57 1zrp n GLY 26 Ca 0.39 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 2.04 0.36 2.61 2.01 -0.29 -5.02 115.64 117.36 1zrp s THR 27 Ca 0.00 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1zrp s THR 27 Cb 0.00 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 1zrp s THR 27 CO 0.00 0.01 0.54 -0.54 -0.69 0.00 0.00 174.62 173.93 1zrp s LYS 28 N -2.34 3.22 0.02 4.92 -0.14 -1.26 -4.76 119.74 119.40 1zrp s LYS 28 Ca 0.58 -0.67 -0.14 0.00 -1.36 0.00 0.00 55.97 54.38 1zrp s LYS 28 Cb -0.45 -2.71 -0.08 0.00 -1.68 0.00 0.00 37.83 32.91 1zrp s LYS 28 CO 0.59 0.02 1.12 0.35 -0.76 0.00 0.00 175.35 176.68 1zrp h PHE 29 N 0.74 -0.48 0.00 3.18 3.57 -1.95 0.63 116.94 122.63 1zrp h PHE 29 Ca -0.48 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1zrp h PHE 29 Cb 1.24 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1zrp h PHE 29 CO 0.45 -0.30 0.00 -0.85 -2.23 0.00 0.00 178.31 175.38 1zrp n GLU 30 N -3.51 0.94 -0.25 1.11 0.00 -1.26 0.59 120.64 118.26 1zrp n GLU 30 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.19 1zrp n GLU 30 Cb 0.21 -1.07 0.19 0.00 0.00 0.00 0.00 31.44 30.77 1zrp n GLU 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1zrp n GLU 31 N -0.57 2.00 -1.46 3.44 -0.58 -0.22 -5.00 120.64 118.24 1zrp n GLU 31 Ca 0.03 -2.72 -0.29 0.00 -0.42 0.00 0.00 57.16 53.76 1zrp n GLU 31 Cb 0.01 -1.66 0.13 0.00 -0.57 0.00 0.00 31.44 29.36 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 2.16 0.66 -4.62 1.43 0.21 -4.44 118.68 111.20 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 0.31 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1zrp s LEU 32 CO 0.05 -2.46 0.75 -0.81 0.23 0.00 0.00 176.35 174.11 1zrp n PRO 33 N -3.73 0.54 -0.03 1.29 -0.04 -1.26 -4.92 135.00 126.85 1zrp n PRO 33 Ca 0.07 0.23 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1zrp n PRO 33 Cb 0.58 -1.99 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 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 -0.01 0.20 -0.59 3.54 5.19 -1.99 -2.20 116.42 120.55 1zrp h ASP 34 Ca -0.47 -0.09 -0.16 0.00 -0.62 0.00 0.00 57.03 55.69 1zrp h ASP 34 Cb 1.36 -0.05 -0.10 0.00 0.18 0.00 0.00 39.33 40.72 1zrp h ASP 34 CO 0.47 0.23 0.21 -0.67 -3.12 0.00 0.00 179.24 176.36 1zrp n ASP 35 N -4.92 4.30 -4.62 6.45 -0.08 -1.26 -4.89 116.55 111.54 1zrp n ASP 35 Ca -0.04 -2.95 -0.43 0.00 -1.51 0.00 0.00 54.79 49.86 1zrp n ASP 35 Cb 0.08 -0.70 -0.03 0.00 2.34 0.00 0.00 41.12 42.81 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1zrp s TRP 36 N -2.48 1.97 0.32 -0.67 -0.00 -0.83 -4.99 118.94 112.27 1zrp s TRP 36 Ca 0.44 0.55 0.01 0.00 -0.00 0.00 0.00 56.10 57.10 1zrp s TRP 36 Cb 0.35 -4.06 0.01 0.00 -0.00 0.00 0.00 33.47 29.78 1zrp s TRP 36 CO 0.11 -3.00 0.11 1.33 -0.00 0.00 0.00 176.95 175.50 1zrp n VAL 37 N 6.80 0.00 -1.79 5.86 0.24 -1.26 -1.91 118.33 126.28 1zrp n VAL 37 Ca 0.20 -1.42 -0.42 0.00 -2.04 0.00 0.00 64.34 60.66 1zrp n VAL 37 Cb 0.46 0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 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 9.03 0.00 0.00 0.00 0.11 -1.97 -1.85 132.00 137.32 1zrp h PRO 39 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1zrp h PRO 39 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 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 -3.52 0.00 0.22 4.15 -0.00 -1.26 -4.85 119.36 114.09 1zrp n ILE 40 Ca 0.05 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 62.91 1zrp n ILE 40 Cb 0.56 -0.72 0.31 0.00 -0.00 0.00 0.00 39.64 39.80 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 0.69 0.50 3.63 0.00 0.00 -0.70 -5.00 105.19 104.32 1zrp n GLY 42 Ca 0.02 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 1.11 4.61 0.00 -1.26 -4.58 121.76 123.06 1zrp s ALA 43 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 1zrp s ALA 43 Cb 0.00 -3.73 0.10 0.00 0.00 0.00 0.00 23.12 19.49 1zrp s ALA 43 CO 0.00 -1.67 -0.04 -2.30 0.00 0.00 0.00 175.76 171.75 1zrp n PRO 44 N 7.11 -1.69 0.00 0.00 -0.02 -1.26 -0.58 135.00 138.55 1zrp n PRO 44 Ca 0.12 -0.48 0.01 0.00 -2.02 0.00 0.00 63.50 61.13 1zrp n PRO 44 Cb 0.47 -1.63 0.04 0.00 -0.02 0.00 0.00 33.50 32.36 1zrp n PRO 44 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1zrp n LYS 45 N -1.86 0.00 -0.30 -0.52 4.81 -0.80 -1.29 118.16 118.21 1zrp n LYS 45 Ca 0.01 0.44 -0.05 0.00 -0.87 0.00 0.00 58.31 57.85 1zrp n LYS 45 Cb 0.60 -1.50 0.07 0.00 0.02 0.00 0.00 35.03 34.22 1zrp n LYS 45 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1zrp h SER 46 N 0.00 1.00 -0.82 3.14 4.64 -1.87 -2.35 113.55 117.30 1zrp h SER 46 Ca 0.00 -0.09 -0.41 0.00 -0.47 0.00 0.00 61.79 60.82 1zrp h SER 46 Cb 0.03 -0.26 -0.25 0.00 -0.31 0.00 0.00 62.40 61.62 1zrp h SER 46 CO 0.00 0.80 0.45 -0.62 -0.87 0.00 0.00 176.83 176.59 1zrp n GLU 47 N -4.42 2.26 -3.68 4.77 -0.58 -0.41 -4.89 120.64 113.70 1zrp n GLU 47 Ca 0.08 -3.06 -0.37 0.00 -0.42 0.00 0.00 57.16 53.39 1zrp n GLU 47 Cb 0.08 -2.09 -0.12 0.00 -0.57 0.00 0.00 31.44 28.74 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 -3.26 3.15 0.00 -0.32 0.40 -0.88 -2.02 117.98 115.04 1zrp s PHE 48 Ca 0.54 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 1zrp s PHE 48 Cb 0.46 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.68 1zrp s PHE 48 CO 0.08 -0.30 0.00 0.39 0.70 0.00 0.00 175.22 176.09 1zrp n GLU 49 N 4.98 0.79 -4.79 0.44 -0.58 0.20 -4.83 120.64 116.84 1zrp n GLU 49 Ca -0.15 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.31 1zrp n GLU 49 Cb 0.51 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.24 1zrp n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1zrp s LYS 50 N -1.69 1.60 -0.52 3.49 3.01 -1.26 0.27 119.74 124.63 1zrp s LYS 50 Ca 0.00 -1.00 0.07 0.00 -1.01 0.00 0.00 55.97 54.03 1zrp s LYS 50 Cb 0.00 -1.73 0.25 0.00 -1.01 0.00 0.00 37.83 35.34 1zrp s LYS 50 CO 0.00 0.45 0.65 -0.11 0.51 0.00 0.00 175.35 176.85 1zrp n LEU 51 N 1.87 2.13 0.14 3.17 0.00 -0.72 -4.81 117.00 118.79 1zrp n LEU 51 Ca -0.17 -5.11 0.04 0.00 0.00 0.00 0.00 56.01 50.78 1zrp n LEU 51 Cb 0.53 -0.07 0.04 0.00 0.00 0.00 0.00 43.42 43.92 1zrp n LEU 51 CO 0.23 2.07 0.44 -0.33 0.00 0.00 0.00 177.39 179.80 1zrp h GLU 52 N 4.07 0.00 0.00 1.96 3.07 -1.98 -3.41 114.58 118.29 1zrp h GLU 52 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1zrp h GLU 52 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1zrp h GLU 52 CO 0.67 0.38 0.00 -0.40 -1.40 0.00 0.00 179.01 178.25