#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 2.81 -0.19 0.00 -2.85 -1.26 -1.54 119.74 116.71 1zrp s LYS 2 Ca 0.00 -0.88 -0.01 0.00 -1.00 0.00 0.00 55.97 54.08 1zrp s LYS 2 Cb 0.00 -2.25 0.00 0.00 -2.06 0.00 0.00 37.83 33.53 1zrp s LYS 2 CO 0.00 0.29 -0.14 -1.58 0.10 0.00 0.00 175.35 174.02 1zrp s TRP 3 N 0.07 2.84 0.34 1.78 0.52 -0.77 -1.32 118.94 122.41 1zrp s TRP 3 Ca -0.11 -1.24 -0.07 0.00 0.02 0.00 0.00 56.10 54.70 1zrp s TRP 3 Cb -0.16 -1.97 -0.06 0.00 -1.15 0.00 0.00 33.47 30.14 1zrp s TRP 3 CO 0.06 -0.63 0.64 0.54 0.02 0.00 0.00 176.95 177.58 1zrp s VAL 4 N 1.22 4.94 -0.41 4.03 0.11 0.20 0.60 120.40 131.07 1zrp s VAL 4 Ca 0.02 0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 59.05 1zrp s VAL 4 Cb -0.14 -3.74 0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1zrp s VAL 4 CO -0.06 -0.42 1.04 0.00 -3.33 0.00 0.00 175.10 172.33 1zrp h LYS 6 N 8.76 0.00 0.01 0.00 3.64 -1.73 -1.63 116.57 125.62 1zrp h LYS 6 Ca -0.23 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1zrp h LYS 6 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1zrp h LYS 6 CO 1.06 0.03 -0.00 0.82 -2.27 0.00 0.00 179.45 179.08 1zrp h ILE 7 N 0.00 0.00 0.10 2.00 5.03 -1.91 -3.42 117.51 119.30 1zrp h ILE 7 Ca -0.00 -0.45 -0.37 0.00 -0.12 0.00 0.00 64.86 63.92 1zrp h ILE 7 Cb 0.11 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 33.87 1zrp h ILE 7 CO 0.00 0.00 -2.08 0.00 -0.68 0.00 0.00 178.15 175.40 1zrp n GLY 9 N 2.02 1.60 3.66 0.00 0.00 -0.62 -5.09 105.19 106.77 1zrp n GLY 9 Ca -0.35 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 2.04 -0.09 1.61 5.04 -1.25 -4.81 117.35 117.88 1zrp s TYR 10 Ca 0.00 0.99 -0.05 0.00 -2.44 0.00 0.00 57.07 55.57 1zrp s TYR 10 Cb 0.00 -3.26 0.04 0.00 0.35 0.00 0.00 41.96 39.10 1zrp s TYR 10 CO 0.00 -2.99 0.22 0.42 -1.34 0.00 0.00 175.55 171.86 1zrp s ILE 11 N -2.93 -0.04 0.23 3.14 1.09 -1.26 0.59 121.20 122.02 1zrp s ILE 11 Ca 0.66 0.14 -0.23 0.00 -1.10 0.00 0.00 60.65 60.12 1zrp s ILE 11 Cb -0.19 -0.34 -0.09 0.00 -1.06 0.00 0.00 42.46 40.78 1zrp s ILE 11 CO 0.58 0.06 0.79 -0.47 -0.10 0.00 0.00 174.94 175.80 1zrp s TYR 12 N 1.13 3.73 -0.29 3.97 5.04 0.20 -4.97 117.35 126.16 1zrp s TYR 12 Ca -0.08 1.55 0.02 0.00 -2.44 0.00 0.00 57.07 56.11 1zrp s TYR 12 Cb -0.10 -2.73 0.08 0.00 0.35 0.00 0.00 41.96 39.56 1zrp s TYR 12 CO -0.07 0.35 0.01 0.34 -1.34 0.00 0.00 175.55 174.85 1zrp s ASP 13 N -1.51 4.23 0.52 4.32 2.15 -1.26 -1.84 116.67 123.27 1zrp s ASP 13 Ca 0.43 -1.62 0.35 0.00 0.43 0.00 0.00 52.55 52.14 1zrp s ASP 13 Cb -0.19 -1.27 1.82 0.00 -0.30 0.00 0.00 42.92 42.98 1zrp s ASP 13 CO 0.23 -0.32 2.06 -0.33 -0.17 0.00 0.00 175.17 176.64 1zrp h GLU 14 N 7.86 0.00 0.00 4.34 5.08 -1.56 0.89 114.58 131.19 1zrp h GLU 14 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1zrp h GLU 14 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1zrp h GLU 14 CO 0.46 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.00 1zrp n ASP 15 N -2.77 0.00 0.31 1.42 2.03 -1.26 -2.75 116.55 113.53 1zrp n ASP 15 Ca -0.02 0.59 0.18 0.00 0.52 0.00 0.00 54.79 56.06 1zrp n ASP 15 Cb 0.10 -0.12 1.01 0.00 -0.72 0.00 0.00 41.12 41.39 1zrp n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zrp h ALA 16 N -2.00 1.32 -0.41 -1.67 0.00 -0.19 -3.35 119.26 112.96 1zrp h ALA 16 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1zrp h ALA 16 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1zrp h ALA 16 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1zrp n GLY 17 N -1.17 -0.18 2.48 0.00 0.00 0.25 -4.39 105.19 102.17 1zrp n GLY 17 Ca -0.03 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.97 -0.13 0.22 1.61 2.03 -0.86 -4.41 116.55 114.03 1zrp n ASP 18 Ca 0.00 -3.05 0.18 0.00 0.52 0.00 0.00 54.79 52.44 1zrp n ASP 18 Cb 0.00 0.21 0.82 0.00 -0.72 0.00 0.00 41.12 41.43 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 2.88 0.00 -0.53 -0.67 0.13 -1.77 0.31 132.00 132.36 1zrp h PRO 19 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1zrp h PRO 19 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1zrp h PRO 19 CO 0.34 0.00 0.28 -0.44 -0.23 0.00 0.00 178.00 177.95 1zrp h ASP 20 N 0.00 0.65 -0.01 1.44 5.19 -1.93 -2.22 116.42 119.53 1zrp h ASP 20 Ca 0.09 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1zrp h ASP 20 Cb 0.74 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1zrp h ASP 20 CO -0.00 0.54 0.00 0.59 -3.12 0.00 0.00 179.24 177.25 1zrp n ASN 21 N -4.39 2.39 -1.24 6.45 3.02 0.96 -4.97 115.26 117.48 1zrp n ASN 21 Ca 0.05 -3.04 -0.01 0.00 -0.03 0.00 0.00 54.58 51.54 1zrp n ASN 21 Cb 0.11 -0.42 0.01 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.37 0.46 3.20 7.41 0.00 -0.42 -5.07 105.19 109.41 1zrp n GLY 22 Ca 0.16 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.02 2.20 0.31 -0.61 1.09 -0.50 -4.93 121.20 115.74 1zrp s ILE 23 Ca 0.01 -0.94 -0.28 0.00 -1.10 0.00 0.00 60.65 58.34 1zrp s ILE 23 Cb -0.00 -1.89 -0.09 0.00 -1.06 0.00 0.00 42.46 39.42 1zrp s ILE 23 CO 0.05 0.54 1.09 -0.44 -0.10 0.00 0.00 174.94 176.08 1zrp s SER 24 N 0.75 7.13 -0.24 3.58 0.01 -1.26 -2.03 113.70 121.63 1zrp s SER 24 Ca -0.08 2.21 -0.29 0.00 1.31 0.00 0.00 55.95 59.10 1zrp s SER 24 Cb -0.16 -2.62 -0.34 0.00 0.21 0.00 0.00 66.02 63.12 1zrp s SER 24 CO -0.00 -0.24 1.67 -0.81 0.41 0.00 0.00 173.24 174.27 1zrp n PRO 25 N 0.85 0.02 0.00 12.44 -0.04 -1.26 -1.11 135.00 145.90 1zrp n PRO 25 Ca 0.01 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1zrp n PRO 25 Cb 0.46 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 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 5.20 0.20 3.69 0.55 0.00 -1.11 -4.89 105.19 108.83 1zrp n GLY 26 Ca 0.44 -0.01 -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 0.00 2.10 0.46 2.61 2.01 -0.27 -4.98 115.64 117.57 1zrp s THR 27 Ca 0.00 0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.10 1zrp s THR 27 Cb 0.00 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 1zrp s THR 27 CO 0.00 -0.04 0.31 -0.54 -0.69 0.00 0.00 174.62 173.66 1zrp s LYS 28 N -4.41 2.33 0.02 4.92 -0.14 -1.26 -4.71 119.74 116.49 1zrp s LYS 28 Ca 0.70 -1.83 -0.18 0.00 -1.36 0.00 0.00 55.97 53.29 1zrp s LYS 28 Cb -0.25 -2.13 -0.10 0.00 -1.68 0.00 0.00 37.83 33.67 1zrp s LYS 28 CO 0.54 -0.32 1.18 0.35 -0.76 0.00 0.00 175.35 176.35 1zrp h PHE 29 N 1.08 -0.62 0.00 3.18 3.57 -1.96 -0.25 116.94 121.94 1zrp h PHE 29 Ca -0.40 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1zrp h PHE 29 Cb 1.28 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1zrp h PHE 29 CO 0.74 -0.38 0.00 -1.91 -2.23 0.00 0.00 178.31 174.53 1zrp n GLU 30 N -3.92 0.94 -0.76 1.11 2.13 -1.26 0.58 120.64 119.46 1zrp n GLU 30 Ca -0.08 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.77 1zrp n GLU 30 Cb 0.26 -1.18 0.31 0.00 0.27 0.00 0.00 31.44 31.10 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1zrp n GLU 31 N -0.68 3.61 -2.56 5.31 2.13 -0.32 -4.95 120.64 123.19 1zrp n GLU 31 Ca 0.08 -3.03 -0.23 0.00 0.66 0.00 0.00 57.16 54.64 1zrp n GLU 31 Cb 0.04 -2.06 0.07 0.00 0.27 0.00 0.00 31.44 29.75 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1zrp s LEU 32 N -2.90 3.09 0.65 4.31 1.43 0.20 -4.48 118.68 120.98 1zrp s LEU 32 Ca 0.49 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.32 1zrp s LEU 32 Cb 0.40 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 1zrp s LEU 32 CO 0.11 -1.52 0.53 -2.65 0.23 0.00 0.00 176.35 173.06 1zrp n PRO 33 N -2.63 0.42 0.13 1.29 -0.02 -1.26 -4.88 135.00 128.04 1zrp n PRO 33 Ca 0.11 0.17 -0.02 0.00 -2.02 0.00 0.00 63.50 61.75 1zrp n PRO 33 Cb 0.60 -1.78 0.18 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.07 0.06 -0.48 2.55 5.19 -1.97 -2.07 116.42 119.63 1zrp h ASP 34 Ca -0.46 -0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 55.85 1zrp h ASP 34 Cb 1.37 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.83 1zrp h ASP 34 CO 0.45 0.64 0.06 0.47 -3.12 0.00 0.00 179.24 177.73 1zrp n ASP 35 N -3.85 4.57 -4.67 6.45 9.92 -1.26 -4.83 116.55 122.88 1zrp n ASP 35 Ca -0.01 -3.10 -0.42 0.00 -0.53 0.00 0.00 54.79 50.72 1zrp n ASP 35 Cb 0.60 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.40 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 -2.89 1.69 0.24 1.24 -0.00 -0.78 -4.94 118.94 113.50 1zrp s TRP 36 Ca 0.49 -0.25 0.02 0.00 -0.00 0.00 0.00 56.10 56.36 1zrp s TRP 36 Cb 0.39 -4.21 -0.05 0.00 -0.00 0.00 0.00 33.47 29.60 1zrp s TRP 36 CO 0.11 -5.24 0.04 0.14 -0.00 0.00 0.00 176.95 172.00 1zrp s VAL 37 N 3.65 0.82 -0.01 5.86 -7.23 -1.26 -1.78 120.40 120.45 1zrp s VAL 37 Ca 0.85 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1zrp s VAL 37 Cb -0.44 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 33.97 1zrp s VAL 37 CO 0.39 -0.20 1.90 0.00 -0.31 0.00 0.00 175.10 176.88 1zrp h PRO 39 N 10.72 0.00 0.00 0.00 0.10 -1.98 -1.85 132.00 138.99 1zrp h PRO 39 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.64 1zrp h PRO 39 Cb 1.22 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.32 1zrp h PRO 39 CO 0.95 0.00 0.00 -0.89 0.10 0.00 0.00 178.00 178.16 1zrp n ILE 40 N -3.62 0.00 0.14 4.15 -0.00 -1.26 -4.81 119.36 113.96 1zrp n ILE 40 Ca 0.06 0.03 0.04 0.00 -0.00 0.00 0.00 62.75 62.88 1zrp n ILE 40 Cb 0.58 -0.71 0.04 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 1.22 1.02 3.49 0.00 0.00 -0.70 -5.03 105.19 105.19 1zrp n GLY 42 Ca 0.01 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 3.33 1.06 4.61 0.00 -1.26 -4.72 121.76 122.77 1zrp s ALA 43 Ca 0.00 -1.42 -0.23 0.00 0.00 0.00 0.00 51.96 50.32 1zrp s ALA 43 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1zrp s ALA 43 CO 0.00 -1.99 -0.73 -0.35 0.00 0.00 0.00 175.76 172.69 1zrp n PRO 44 N 6.46 -0.79 0.16 0.00 -0.04 -1.26 -0.87 135.00 138.65 1zrp n PRO 44 Ca -0.03 -0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1zrp n PRO 44 Cb 0.47 -1.36 0.57 0.00 -0.04 0.00 0.00 33.50 33.14 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 0.18 0.15 0.33 0.54 2.85 -0.73 -2.27 118.16 119.21 1zrp n LYS 45 Ca -0.01 0.61 0.21 0.00 -1.05 0.00 0.00 58.31 58.08 1zrp n LYS 45 Cb 0.68 -1.95 1.13 0.00 -0.65 0.00 0.00 35.03 34.24 1zrp n LYS 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1zrp h SER 46 N 0.00 0.00 0.00 -5.58 0.87 -1.87 -2.15 113.55 104.82 1zrp h SER 46 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1zrp h SER 46 Cb 0.04 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.86 1zrp h SER 46 CO 0.00 0.00 -0.68 -0.62 -0.53 0.00 0.00 176.83 175.00 1zrp n GLU 47 N -3.16 0.98 -3.48 2.24 1.02 -0.96 -4.98 120.64 112.30 1zrp n GLU 47 Ca -0.03 -2.78 -0.38 0.00 -0.02 0.00 0.00 57.16 53.96 1zrp n GLU 47 Cb 0.10 -1.01 -0.08 0.00 -0.02 0.00 0.00 31.44 30.43 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 -2.01 3.35 0.49 -0.32 0.40 -0.81 -2.17 117.98 116.91 1zrp s PHE 48 Ca 0.36 0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 57.05 1zrp s PHE 48 Cb 0.37 -2.44 -0.06 0.00 0.51 0.00 0.00 43.02 41.40 1zrp s PHE 48 CO -0.10 0.01 0.88 -2.00 0.70 0.00 0.00 175.22 174.71 1zrp s GLU 49 N 1.24 3.74 -0.14 0.44 2.56 0.20 -4.85 118.70 121.89 1zrp s GLU 49 Ca 0.15 0.59 0.02 0.00 0.00 0.00 0.00 54.97 55.73 1zrp s GLU 49 Cb -0.14 -2.26 0.00 0.00 2.00 0.00 0.00 34.13 33.72 1zrp s GLU 49 CO 0.07 -0.23 -0.19 -1.59 -0.56 0.00 0.00 175.26 172.76 1zrp s LYS 50 N -4.34 3.14 -1.09 4.30 -2.85 -1.26 0.58 119.74 118.21 1zrp s LYS 50 Ca 0.53 -0.80 -0.04 0.00 -1.00 0.00 0.00 55.97 54.66 1zrp s LYS 50 Cb -0.10 -2.51 -0.05 0.00 -2.06 0.00 0.00 37.83 33.10 1zrp s LYS 50 CO 0.39 0.04 0.94 1.28 0.10 0.00 0.00 175.35 178.10 1zrp n LEU 51 N 3.95 -5.15 -4.24 2.77 4.77 -0.43 -4.96 117.00 113.70 1zrp n LEU 51 Ca -0.19 -0.68 -0.13 0.00 -0.03 0.00 0.00 56.01 54.97 1zrp n LEU 51 Cb 0.52 -3.18 -0.10 0.00 -2.33 0.00 0.00 43.42 38.33 1zrp n LEU 51 CO 0.28 0.18 -0.28 -1.61 -1.33 0.00 0.00 177.39 174.63 1zrp s GLU 52 N -4.68 1.19 0.00 3.23 8.01 -1.26 -5.09 118.70 120.09 1zrp s GLU 52 Ca 0.32 -1.61 0.18 0.00 0.01 0.00 0.00 54.97 53.87 1zrp s GLU 52 Cb -0.04 -0.07 0.14 0.00 -4.31 0.00 0.00 34.13 29.85 1zrp s GLU 52 CO 0.73 -0.26 1.07 -0.40 0.01 0.00 0.00 175.26 176.42