#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 3.09 0.15 0.00 1.02 -1.26 -2.13 119.74 120.61 1zrp s LYS 2 Ca 0.00 -0.84 0.07 0.00 0.02 0.00 0.00 55.97 55.22 1zrp s LYS 2 Cb 0.00 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1zrp s LYS 2 CO 0.00 0.11 -0.04 -1.58 -0.92 0.00 0.00 175.35 172.92 1zrp s TRP 3 N 0.52 2.80 0.18 3.18 0.52 0.20 -2.23 118.94 124.10 1zrp s TRP 3 Ca -0.13 -0.15 0.09 0.00 0.02 0.00 0.00 56.10 55.93 1zrp s TRP 3 Cb -0.17 -1.39 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 1zrp s TRP 3 CO 0.05 0.50 -0.19 0.54 0.02 0.00 0.00 176.95 177.87 1zrp s VAL 4 N -1.58 1.91 -0.30 4.03 0.11 0.20 0.58 120.40 125.34 1zrp s VAL 4 Ca 0.26 -1.99 -0.25 0.00 -2.93 0.00 0.00 61.98 57.06 1zrp s VAL 4 Cb -0.10 -1.92 0.01 0.00 -1.53 0.00 0.00 36.38 32.83 1zrp s VAL 4 CO 0.17 -0.33 0.88 0.00 -3.33 0.00 0.00 175.10 172.49 1zrp n LYS 6 N 6.37 2.29 0.00 0.00 3.00 -0.88 -1.60 118.16 127.34 1zrp n LYS 6 Ca 0.06 -1.23 0.00 0.00 -0.00 0.00 0.00 58.31 57.14 1zrp n LYS 6 Cb 0.48 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.90 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 0.31 0.00 0.09 3.15 -0.00 -1.26 -4.90 119.36 116.75 1zrp n ILE 7 Ca 0.11 0.00 -0.15 0.00 -0.00 0.00 0.00 62.75 62.71 1zrp n ILE 7 Cb 0.50 -0.93 -0.14 0.00 -0.00 0.00 0.00 39.64 39.08 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 1.53 1.17 3.78 0.00 0.00 -0.63 -5.08 105.19 105.96 1zrp n GLY 9 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 2.74 0.10 1.61 5.04 -1.26 -4.81 117.35 118.77 1zrp s TYR 10 Ca 0.00 1.28 0.07 0.00 -2.44 0.00 0.00 57.07 55.99 1zrp s TYR 10 Cb 0.00 -3.07 -0.03 0.00 0.35 0.00 0.00 41.96 39.20 1zrp s TYR 10 CO 0.00 -1.80 -0.18 0.42 -1.34 0.00 0.00 175.55 172.65 1zrp s ILE 11 N -3.05 1.52 -0.24 3.14 -1.09 -1.26 0.60 121.20 120.82 1zrp s ILE 11 Ca 0.61 -1.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1zrp s ILE 11 Cb -0.15 -1.46 0.03 0.00 -1.58 0.00 0.00 42.46 39.30 1zrp s ILE 11 CO 0.55 -0.17 -0.10 -0.47 -1.23 0.00 0.00 174.94 173.51 1zrp s TYR 12 N -1.40 3.06 -0.30 3.97 5.04 0.20 -4.94 117.35 122.98 1zrp s TYR 12 Ca 0.05 -1.80 -0.13 0.00 -2.44 0.00 0.00 57.07 52.76 1zrp s TYR 12 Cb -0.09 -1.99 -0.04 0.00 0.35 0.00 0.00 41.96 40.19 1zrp s TYR 12 CO 0.04 -0.79 0.27 0.34 -1.34 0.00 0.00 175.55 174.06 1zrp s ASP 13 N 1.25 6.10 0.48 4.32 2.15 -1.26 0.58 116.67 130.30 1zrp s ASP 13 Ca -0.01 -0.05 0.27 0.00 0.43 0.00 0.00 52.55 53.18 1zrp s ASP 13 Cb -0.17 -2.15 1.16 0.00 -0.30 0.00 0.00 42.92 41.45 1zrp s ASP 13 CO -0.06 -0.16 1.92 -0.33 -0.17 0.00 0.00 175.17 176.37 1zrp h GLU 14 N 8.36 0.00 -0.19 4.34 5.08 -1.67 0.30 114.58 130.81 1zrp h GLU 14 Ca -0.33 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.91 1zrp h GLU 14 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1zrp h GLU 14 CO 0.61 0.16 -0.42 0.22 -1.00 0.00 0.00 179.01 178.58 1zrp h ASP 15 N 0.00 0.46 0.58 1.42 1.82 -1.82 0.17 116.42 119.05 1zrp h ASP 15 Ca -0.00 -0.21 -0.07 0.00 -0.39 0.00 0.00 57.03 56.36 1zrp h ASP 15 Cb 0.59 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1zrp h ASP 15 CO 0.02 0.83 -1.48 0.00 -1.61 0.00 0.00 179.24 177.00 1zrp n ALA 16 N -2.49 2.36 -0.08 -0.78 0.00 -0.10 -3.71 120.51 115.71 1zrp n ALA 16 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1zrp n ALA 16 Cb 0.51 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.30 -0.50 2.68 0.00 0.00 0.87 -4.35 105.19 105.20 1zrp n GLY 17 Ca -0.06 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 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 0.52 -1.31 0.23 1.61 2.03 -0.78 -4.63 116.55 114.22 1zrp n ASP 18 Ca 0.00 -2.69 0.09 0.00 0.52 0.00 0.00 54.79 52.71 1zrp n ASP 18 Cb 0.00 0.83 0.47 0.00 -0.72 0.00 0.00 41.12 41.70 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 2.34 0.00 -0.24 -0.67 0.11 -1.47 0.56 132.00 132.63 1zrp h PRO 19 Ca -0.21 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.74 1zrp h PRO 19 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1zrp h PRO 19 CO 0.07 0.00 -0.47 0.22 -0.21 0.00 0.00 178.00 177.61 1zrp h ASP 20 N 0.00 0.83 -0.45 -2.05 1.82 -1.94 -2.09 116.42 112.55 1zrp h ASP 20 Ca 0.00 -0.54 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 1zrp h ASP 20 Cb 0.73 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1zrp h ASP 20 CO 0.00 1.22 0.00 0.59 -1.61 0.00 0.00 179.24 179.44 1zrp n ASN 21 N -4.13 4.90 -1.63 2.28 3.02 0.17 -4.95 115.26 114.92 1zrp n ASN 21 Ca -0.05 -2.93 -0.03 0.00 -0.03 0.00 0.00 54.58 51.54 1zrp n ASN 21 Cb 0.58 -0.62 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.18 0.47 3.22 7.41 0.00 0.38 -5.05 105.19 111.80 1zrp n GLY 22 Ca 0.25 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.06 1.79 0.26 -0.61 1.09 -0.47 -4.87 121.20 115.33 1zrp s ILE 23 Ca 0.04 -0.93 -0.28 0.00 -1.10 0.00 0.00 60.65 58.38 1zrp s ILE 23 Cb -0.01 -1.51 -0.09 0.00 -1.06 0.00 0.00 42.46 39.79 1zrp s ILE 23 CO 0.12 0.50 0.92 -0.44 -0.10 0.00 0.00 174.94 175.94 1zrp s SER 24 N -0.22 7.51 -0.83 3.58 0.01 -1.26 -1.34 113.70 121.14 1zrp s SER 24 Ca 0.00 1.87 -0.24 0.00 1.31 0.00 0.00 55.95 58.89 1zrp s SER 24 Cb -0.11 -2.58 -0.17 0.00 0.21 0.00 0.00 66.02 63.36 1zrp s SER 24 CO 0.02 0.09 2.34 -0.81 0.41 0.00 0.00 173.24 175.29 1zrp n PRO 25 N 1.19 0.45 0.00 12.44 -0.04 -1.26 -1.26 135.00 146.52 1zrp n PRO 25 Ca -0.01 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 1zrp n PRO 25 Cb 0.48 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1zrp n GLY 26 N 6.59 0.64 3.80 0.55 0.00 0.57 -4.88 105.19 112.47 1zrp n GLY 26 Ca 0.48 0.00 -0.36 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 -0.74 4.35 0.62 2.61 2.01 -0.39 -4.94 115.64 119.18 1zrp s THR 27 Ca 0.00 1.60 -0.04 0.00 0.31 0.00 0.00 61.69 63.56 1zrp s THR 27 Cb 0.00 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.62 1zrp s THR 27 CO 0.00 0.13 0.91 -0.54 -0.69 0.00 0.00 174.62 174.43 1zrp s LYS 28 N -2.10 2.56 0.02 4.92 1.02 -1.26 -4.55 119.74 120.34 1zrp s LYS 28 Ca 0.48 -0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.01 1zrp s LYS 28 Cb -0.17 -2.29 -0.09 0.00 -0.52 0.00 0.00 37.83 34.75 1zrp s LYS 28 CO 0.22 -0.90 1.16 0.35 -0.92 0.00 0.00 175.35 175.27 1zrp h PHE 29 N -0.26 -0.57 0.00 3.18 3.57 -1.97 -0.50 116.94 120.39 1zrp h PHE 29 Ca -0.44 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1zrp h PHE 29 Cb 1.29 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1zrp h PHE 29 CO 0.39 -0.35 0.00 0.39 -2.23 0.00 0.00 178.31 176.51 1zrp n GLU 30 N -3.77 0.94 -0.75 1.11 1.02 -1.26 0.40 120.64 118.33 1zrp n GLU 30 Ca -0.08 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.12 1zrp n GLU 30 Cb 0.24 -1.17 0.34 0.00 -0.02 0.00 0.00 31.44 30.83 1zrp n GLU 30 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1zrp n GLU 31 N -0.67 4.01 -2.40 3.49 -0.58 -0.32 -4.95 120.64 119.23 1zrp n GLU 31 Ca 0.08 -3.05 -0.25 0.00 -0.42 0.00 0.00 57.16 53.51 1zrp n GLU 31 Cb 0.03 -2.11 0.04 0.00 -0.57 0.00 0.00 31.44 28.84 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 -2.83 3.12 0.63 -4.62 1.43 0.16 -4.54 118.68 112.03 1zrp s LEU 32 Ca 0.50 0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 53.94 1zrp s LEU 32 Cb 0.39 -3.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.24 1zrp s LEU 32 CO 0.13 -1.23 0.27 -0.81 0.23 0.00 0.00 176.35 174.93 1zrp n PRO 33 N -2.64 0.28 -0.03 1.29 -0.04 -1.26 -4.89 135.00 127.72 1zrp n PRO 33 Ca 0.06 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1zrp n PRO 33 Cb 0.59 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.10 0.18 -0.81 3.54 3.32 -1.97 -2.37 116.42 118.21 1zrp h ASP 34 Ca -0.44 -0.08 -0.42 0.00 0.02 0.00 0.00 57.03 56.10 1zrp h ASP 34 Cb 1.39 -0.05 -0.25 0.00 0.22 0.00 0.00 39.33 40.64 1zrp h ASP 34 CO 0.43 0.21 0.44 0.47 -1.72 0.00 0.00 179.24 179.06 1zrp n ASP 35 N -4.94 3.42 -4.65 6.45 9.92 -1.26 -4.99 116.55 120.49 1zrp n ASP 35 Ca -0.05 -3.67 -0.42 0.00 -0.53 0.00 0.00 54.79 50.12 1zrp n ASP 35 Cb 0.07 -0.78 -0.03 0.00 -0.64 0.00 0.00 41.12 39.74 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 -3.30 1.41 0.47 1.24 -0.00 -0.90 -4.87 118.94 113.00 1zrp s TRP 36 Ca 0.53 -0.22 0.06 0.00 -0.00 0.00 0.00 56.10 56.47 1zrp s TRP 36 Cb 0.46 -4.15 -0.01 0.00 -0.00 0.00 0.00 33.47 29.77 1zrp s TRP 36 CO 0.07 -5.05 0.23 0.14 -0.00 0.00 0.00 176.95 172.35 1zrp s VAL 37 N 4.82 1.90 0.07 5.86 -7.23 -1.26 -1.80 120.40 122.76 1zrp s VAL 37 Ca 0.87 -1.66 -0.31 0.00 -1.81 0.00 0.00 61.98 59.06 1zrp s VAL 37 Cb -0.39 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 33.89 1zrp s VAL 37 CO 0.38 0.00 1.67 0.00 -0.31 0.00 0.00 175.10 176.84 1zrp h PRO 39 N 8.37 0.00 0.00 0.00 0.13 -1.98 -1.60 132.00 136.92 1zrp h PRO 39 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1zrp h PRO 39 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1zrp h PRO 39 CO 0.93 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.81 1zrp n ILE 40 N -3.50 0.00 0.21 -3.56 -0.00 -1.26 -4.84 119.36 106.42 1zrp n ILE 40 Ca 0.03 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 62.89 1zrp n ILE 40 Cb 0.44 -0.74 0.19 0.00 -0.00 0.00 0.00 39.64 39.53 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 1.02 0.54 3.79 0.00 0.00 -0.61 -4.99 105.19 104.94 1zrp n GLY 42 Ca 0.03 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.43 3.57 0.85 4.61 0.00 -1.26 -4.64 121.76 122.45 1zrp s ALA 43 Ca 0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 1zrp s ALA 43 Cb -0.01 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.54 1zrp s ALA 43 CO 0.02 0.29 0.65 -2.30 0.00 0.00 0.00 175.76 174.41 1zrp n PRO 44 N 2.33 -0.01 0.00 0.00 -0.02 -1.26 0.59 135.00 136.63 1zrp n PRO 44 Ca -0.10 0.05 0.01 0.00 -2.02 0.00 0.00 63.50 61.44 1zrp n PRO 44 Cb 0.51 -1.99 0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1zrp n PRO 44 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1zrp n LYS 45 N -1.84 0.01 -0.54 -0.52 -0.00 -0.75 0.57 118.16 115.09 1zrp n LYS 45 Ca 0.09 0.43 0.05 0.00 -0.00 0.00 0.00 58.31 58.88 1zrp n LYS 45 Cb 0.52 -1.50 0.25 0.00 -0.00 0.00 0.00 35.03 34.30 1zrp n LYS 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1zrp n SER 46 N -1.46 3.86 -0.29 -5.58 2.88 -1.26 -1.98 113.62 109.79 1zrp n SER 46 Ca 0.01 -2.52 0.03 0.00 -1.33 0.00 0.00 58.87 55.06 1zrp n SER 46 Cb 0.02 -0.58 0.05 0.00 -0.75 0.00 0.00 64.21 62.94 1zrp n SER 46 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1zrp n GLU 47 N 0.46 0.59 -3.39 -1.46 -0.58 0.19 -5.00 120.64 111.46 1zrp n GLU 47 Ca 0.18 -1.51 -0.43 0.00 -0.42 0.00 0.00 57.16 54.98 1zrp n GLU 47 Cb 0.80 -0.86 -0.09 0.00 -0.57 0.00 0.00 31.44 30.72 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 -1.01 3.20 0.61 -0.32 0.40 -0.84 -2.08 117.98 117.94 1zrp s PHE 48 Ca 0.11 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 55.97 1zrp s PHE 48 Cb 0.09 -2.74 0.03 0.00 0.51 0.00 0.00 43.02 40.91 1zrp s PHE 48 CO 0.01 -0.63 0.89 -1.21 0.70 0.00 0.00 175.22 174.98 1zrp s GLU 49 N 1.93 2.59 -0.03 0.44 2.02 0.20 -4.83 118.70 121.03 1zrp s GLU 49 Ca 0.09 -0.33 -0.03 0.00 0.02 0.00 0.00 54.97 54.72 1zrp s GLU 49 Cb -0.18 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 1zrp s GLU 49 CO 0.12 -0.85 0.15 0.15 0.02 0.00 0.00 175.26 174.85 1zrp s LYS 50 N -4.98 3.35 0.00 1.61 1.02 -1.26 0.58 119.74 120.06 1zrp s LYS 50 Ca 0.56 -0.33 0.12 0.00 0.02 0.00 0.00 55.97 56.34 1zrp s LYS 50 Cb -0.10 -3.05 0.20 0.00 -0.52 0.00 0.00 37.83 34.35 1zrp s LYS 50 CO 0.43 0.68 1.06 -0.11 -0.92 0.00 0.00 175.35 176.49 1zrp n LEU 51 N 1.16 2.46 -3.88 3.17 0.00 -0.95 -4.88 117.00 114.07 1zrp n LEU 51 Ca -0.13 -1.46 -0.29 0.00 0.00 0.00 0.00 56.01 54.13 1zrp n LEU 51 Cb 0.53 -0.12 -0.16 0.00 0.00 0.00 0.00 43.42 43.67 1zrp n LEU 51 CO 0.41 0.55 -0.41 -0.70 0.00 0.00 0.00 177.39 177.23 1zrp s GLU 52 N -1.00 1.38 0.00 1.96 -6.30 -1.26 -5.01 118.70 108.48 1zrp s GLU 52 Ca 0.19 -0.68 0.00 0.00 -2.50 0.00 0.00 54.97 51.98 1zrp s GLU 52 Cb 0.11 -2.25 0.00 0.00 0.00 0.00 0.00 34.13 32.00 1zrp s GLU 52 CO 0.16 -0.53 0.00 -3.47 0.02 0.00 0.00 175.26 171.44