#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 2.84 0.33 0.00 2.20 -1.26 -2.10 119.74 121.74 1zrp s LYS 2 Ca 0.00 -0.82 0.10 0.00 -0.36 0.00 0.00 55.97 54.89 1zrp s LYS 2 Cb 0.00 -2.33 -0.06 0.00 -1.51 0.00 0.00 37.83 33.93 1zrp s LYS 2 CO 0.00 0.33 -0.11 -1.58 -0.36 0.00 0.00 175.35 173.63 1zrp s TRP 3 N -0.02 2.39 0.03 4.03 0.52 0.20 -2.20 118.94 123.89 1zrp s TRP 3 Ca -0.07 -0.46 -0.00 0.00 0.02 0.00 0.00 56.10 55.60 1zrp s TRP 3 Cb -0.15 -1.30 -0.03 0.00 -1.15 0.00 0.00 33.47 30.85 1zrp s TRP 3 CO 0.05 0.61 -0.03 0.54 0.02 0.00 0.00 176.95 178.14 1zrp s VAL 4 N -2.58 0.15 -0.28 4.03 0.11 0.39 0.34 120.40 122.57 1zrp s VAL 4 Ca 0.32 -1.27 -0.22 0.00 -2.93 0.00 0.00 61.98 57.88 1zrp s VAL 4 Cb 0.01 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1zrp s VAL 4 CO 0.16 -0.70 0.72 0.00 -3.33 0.00 0.00 175.10 171.95 1zrp n LYS 6 N 5.97 2.53 0.00 0.00 0.00 -0.87 -1.52 118.16 124.28 1zrp n LYS 6 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 58.31 56.93 1zrp n LYS 6 Cb 0.48 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.82 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 0.35 0.00 0.07 3.15 -0.00 -1.26 -4.89 119.36 116.77 1zrp n ILE 7 Ca 0.12 0.04 -0.10 0.00 -0.00 0.00 0.00 62.75 62.82 1zrp n ILE 7 Cb 0.58 -1.02 -0.13 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 1.43 1.04 3.72 0.00 0.00 -0.57 -5.08 105.19 105.73 1zrp n GLY 9 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 2.28 -0.01 1.61 5.04 -1.26 -4.79 117.35 118.21 1zrp s TYR 10 Ca 0.00 0.94 -0.03 0.00 -2.44 0.00 0.00 57.07 55.54 1zrp s TYR 10 Cb 0.00 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 39.00 1zrp s TYR 10 CO 0.00 -2.67 0.07 0.42 -1.34 0.00 0.00 175.55 172.03 1zrp s ILE 11 N -3.09 0.04 -0.12 3.14 1.09 -1.26 0.59 121.20 121.59 1zrp s ILE 11 Ca 0.65 -0.35 -0.03 0.00 -1.10 0.00 0.00 60.65 59.81 1zrp s ILE 11 Cb -0.17 -0.22 -0.03 0.00 -1.06 0.00 0.00 42.46 40.97 1zrp s ILE 11 CO 0.56 -0.19 -0.00 -0.47 -0.10 0.00 0.00 174.94 174.73 1zrp s TYR 12 N -0.60 3.12 -0.23 3.97 5.04 0.15 -4.94 117.35 123.87 1zrp s TYR 12 Ca -0.07 0.00 0.01 0.00 -2.44 0.00 0.00 57.07 54.58 1zrp s TYR 12 Cb -0.04 -1.89 0.04 0.00 0.35 0.00 0.00 41.96 40.42 1zrp s TYR 12 CO 0.00 0.24 -0.13 0.34 -1.34 0.00 0.00 175.55 174.67 1zrp s ASP 13 N -0.26 3.98 0.43 4.32 2.15 -1.26 0.58 116.67 126.60 1zrp s ASP 13 Ca 0.06 -1.04 0.18 0.00 0.43 0.00 0.00 52.55 52.18 1zrp s ASP 13 Cb -0.12 -1.55 0.99 0.00 -0.30 0.00 0.00 42.92 41.93 1zrp s ASP 13 CO 0.02 -0.11 1.93 -0.33 -0.17 0.00 0.00 175.17 176.50 1zrp h GLU 14 N 7.88 0.00 -0.02 4.34 5.08 -1.71 0.66 114.58 130.81 1zrp h GLU 14 Ca -0.31 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 1zrp h GLU 14 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1zrp h GLU 14 CO 0.55 0.25 -0.35 0.22 -1.00 0.00 0.00 179.01 178.68 1zrp h ASP 15 N 0.00 0.04 0.00 1.42 3.58 -1.85 -2.73 116.42 116.87 1zrp h ASP 15 Ca -0.00 -0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.20 1zrp h ASP 15 Cb 0.51 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 1zrp h ASP 15 CO 0.03 0.38 -1.39 0.00 -2.88 0.00 0.00 179.24 175.39 1zrp n ALA 16 N -2.47 0.82 0.00 -0.78 0.00 -0.32 -4.49 120.51 113.26 1zrp n ALA 16 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1zrp n ALA 16 Cb 0.39 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 1.42 0.27 2.67 0.00 0.00 0.08 -3.75 105.19 105.88 1zrp n GLY 17 Ca -0.32 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 -1.40 0.20 1.61 2.03 -0.54 -4.61 116.55 113.84 1zrp n ASP 18 Ca 0.00 -2.06 0.10 0.00 0.52 0.00 0.00 54.79 53.35 1zrp n ASP 18 Cb 0.00 1.17 0.54 0.00 -0.72 0.00 0.00 41.12 42.11 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 1.86 0.00 -0.02 -0.67 0.11 -1.87 0.62 132.00 132.02 1zrp h PRO 19 Ca -0.39 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 1zrp h PRO 19 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1zrp h PRO 19 CO -0.08 0.00 0.01 0.22 -0.21 0.00 0.00 178.00 177.95 1zrp h ASP 20 N 0.00 0.03 -0.56 -2.05 1.82 -1.95 -2.10 116.42 111.60 1zrp h ASP 20 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1zrp h ASP 20 Cb 0.41 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1zrp h ASP 20 CO 0.00 0.07 0.00 0.59 -1.61 0.00 0.00 179.24 178.29 1zrp n ASN 21 N -5.05 5.45 -2.56 2.28 3.02 0.20 -4.91 115.26 113.70 1zrp n ASN 21 Ca -0.07 -2.84 -0.13 0.00 -0.03 0.00 0.00 54.58 51.51 1zrp n ASN 21 Cb 0.05 -0.67 0.06 0.00 -0.61 0.00 0.00 39.78 38.61 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 0.67 -0.05 3.61 7.41 0.00 0.09 -5.02 105.19 111.90 1zrp n GLY 22 Ca 0.27 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.22 4.90 0.27 -0.61 1.09 -0.57 -4.90 121.20 118.15 1zrp s ILE 23 Ca 0.18 0.01 -0.25 0.00 -1.10 0.00 0.00 60.65 59.50 1zrp s ILE 23 Cb -0.08 -3.25 -0.09 0.00 -1.06 0.00 0.00 42.46 37.98 1zrp s ILE 23 CO 0.48 0.40 0.86 -0.55 -0.10 0.00 0.00 174.94 176.02 1zrp s SER 24 N 0.85 7.30 -0.30 3.58 0.15 -1.26 -1.47 113.70 122.54 1zrp s SER 24 Ca 0.05 1.71 -0.29 0.00 0.70 0.00 0.00 55.95 58.12 1zrp s SER 24 Cb -0.13 -2.53 -0.33 0.00 -1.71 0.00 0.00 66.02 61.31 1zrp s SER 24 CO 0.03 0.02 1.72 -0.81 1.20 0.00 0.00 173.24 175.39 1zrp n PRO 25 N 0.82 0.03 0.00 5.44 -0.04 -1.25 -1.12 135.00 138.88 1zrp n PRO 25 Ca -0.01 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1zrp n PRO 25 Cb 0.50 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 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 5.30 0.19 3.74 0.55 0.00 -1.03 -4.84 105.19 109.11 1zrp n GLY 26 Ca 0.45 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 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 2.07 0.46 2.61 2.01 -0.27 -4.97 115.64 117.55 1zrp s THR 27 Ca 0.00 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.12 1zrp s THR 27 Cb 0.00 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.51 1zrp s THR 27 CO 0.00 -0.00 0.63 -0.75 -0.69 0.00 0.00 174.62 173.81 1zrp s LYS 28 N -3.07 2.73 0.02 4.92 2.20 -1.26 -4.73 119.74 120.55 1zrp s LYS 28 Ca 0.75 -1.15 -0.15 0.00 -0.36 0.00 0.00 55.97 55.06 1zrp s LYS 28 Cb -0.39 -2.69 -0.08 0.00 -1.51 0.00 0.00 37.83 33.15 1zrp s LYS 28 CO 0.45 -0.41 1.14 0.35 -0.36 0.00 0.00 175.35 176.52 1zrp h PHE 29 N 0.48 -0.50 0.00 4.03 3.57 -1.95 0.11 116.94 122.68 1zrp h PHE 29 Ca -0.40 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1zrp h PHE 29 Cb 1.28 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1zrp h PHE 29 CO 0.39 -0.31 0.00 -0.85 -2.23 0.00 0.00 178.31 175.31 1zrp n GLU 30 N -3.56 0.95 -0.58 1.11 -0.00 -1.26 0.27 120.64 117.57 1zrp n GLU 30 Ca -0.07 0.00 0.07 0.00 -0.00 0.00 0.00 57.16 57.16 1zrp n GLU 30 Cb 0.21 -1.14 0.29 0.00 -0.00 0.00 0.00 31.44 30.80 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 -0.64 3.29 -2.12 3.44 -0.58 -0.27 -4.98 120.64 118.78 1zrp n GLU 31 Ca 0.07 -2.94 -0.28 0.00 -0.42 0.00 0.00 57.16 53.59 1zrp n GLU 31 Cb 0.03 -1.95 0.06 0.00 -0.57 0.00 0.00 31.44 29.01 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 -2.85 2.87 0.61 -4.62 1.43 0.14 -4.42 118.68 111.84 1zrp s LEU 32 Ca 0.45 0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 54.11 1zrp s LEU 32 Cb 0.37 -3.42 -0.09 0.00 0.03 0.00 0.00 46.19 43.08 1zrp s LEU 32 CO 0.10 -1.47 0.38 -0.81 0.23 0.00 0.00 176.35 174.77 1zrp n PRO 33 N -2.94 0.36 -0.09 1.29 -0.04 -1.26 -4.89 135.00 127.44 1zrp n PRO 33 Ca 0.07 0.15 -0.10 0.00 -0.04 0.00 0.00 63.50 63.58 1zrp n PRO 33 Cb 0.59 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.02 0.37 -0.72 3.54 5.19 -1.98 -2.32 116.42 120.51 1zrp h ASP 34 Ca -0.45 -0.09 -0.24 0.00 -0.62 0.00 0.00 57.03 55.62 1zrp h ASP 34 Cb 1.39 -0.09 -0.14 0.00 0.18 0.00 0.00 39.33 40.66 1zrp h ASP 34 CO 0.44 0.36 0.31 -0.67 -3.12 0.00 0.00 179.24 176.56 1zrp n ASP 35 N -4.81 4.50 -4.59 6.45 -0.08 -1.26 -4.94 116.55 111.82 1zrp n ASP 35 Ca -0.02 -3.17 -0.42 0.00 -1.51 0.00 0.00 54.79 49.67 1zrp n ASP 35 Cb 0.08 -0.74 -0.03 0.00 2.34 0.00 0.00 41.12 42.77 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 -2.82 1.67 0.56 -0.67 -0.00 -0.88 -4.92 118.94 111.87 1zrp s TRP 36 Ca 0.51 0.66 0.04 0.00 -0.00 0.00 0.00 56.10 57.31 1zrp s TRP 36 Cb 0.41 -4.07 0.04 0.00 -0.00 0.00 0.00 33.47 29.85 1zrp s TRP 36 CO 0.12 -3.06 0.32 1.33 -0.00 0.00 0.00 176.95 175.66 1zrp n VAL 37 N 7.48 0.00 -1.81 5.86 0.24 -1.26 -1.89 118.33 126.95 1zrp n VAL 37 Ca 0.24 -2.31 -0.42 0.00 -2.04 0.00 0.00 64.34 59.81 1zrp n VAL 37 Cb 0.47 0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 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 8.95 0.00 0.00 0.00 0.11 -1.97 -1.79 132.00 137.30 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 -2.76 0.00 0.18 4.15 -0.00 -1.26 -4.83 119.36 114.84 1zrp n ILE 40 Ca -0.02 0.05 0.09 0.00 -0.00 0.00 0.00 62.75 62.88 1zrp n ILE 40 Cb 0.39 -0.96 0.10 0.00 -0.00 0.00 0.00 39.64 39.17 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 1.16 0.56 3.59 0.00 0.00 -0.68 -4.99 105.19 104.83 1zrp n GLY 42 Ca 0.02 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 3.38 0.93 4.61 0.00 -1.26 -4.56 121.76 122.86 1zrp s ALA 43 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.19 1zrp s ALA 43 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1zrp s ALA 43 CO 0.00 -1.64 0.15 -2.30 0.00 0.00 0.00 175.76 171.97 1zrp n PRO 44 N 6.67 -0.16 0.04 0.00 -0.02 -1.26 -1.21 135.00 139.05 1zrp n PRO 44 Ca 0.05 -0.01 0.03 0.00 -2.02 0.00 0.00 63.50 61.54 1zrp n PRO 44 Cb 0.48 -1.66 0.16 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.66 0.03 0.03 -0.52 2.85 -0.79 -0.84 118.16 118.27 1zrp n LYS 45 Ca 0.05 0.51 0.03 0.00 -1.05 0.00 0.00 58.31 57.86 1zrp n LYS 45 Cb 0.54 -1.61 0.41 0.00 -0.65 0.00 0.00 35.03 33.72 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 0.41 -0.50 -5.58 0.87 -1.86 -0.43 113.55 106.46 1zrp h SER 46 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1zrp h SER 46 Cb 0.02 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1zrp h SER 46 CO 0.00 0.36 0.00 -0.62 -0.53 0.00 0.00 176.83 176.04 1zrp n GLU 47 N -4.42 4.39 -3.63 2.24 -0.58 -0.02 -4.85 120.64 113.77 1zrp n GLU 47 Ca 0.02 -2.73 -0.38 0.00 -0.42 0.00 0.00 57.16 53.65 1zrp n GLU 47 Cb 0.12 -2.17 -0.11 0.00 -0.57 0.00 0.00 31.44 28.70 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 -2.53 3.19 0.88 -0.32 0.40 -0.17 -2.04 117.98 117.38 1zrp s PHE 48 Ca 0.47 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.62 1zrp s PHE 48 Cb 0.36 -2.35 0.17 0.00 0.51 0.00 0.00 43.02 41.71 1zrp s PHE 48 CO 0.14 -0.24 1.21 -2.00 0.70 0.00 0.00 175.22 175.03 1zrp s GLU 49 N 1.72 1.02 0.04 0.44 -6.30 0.20 -4.84 118.70 110.98 1zrp s GLU 49 Ca 0.07 -0.65 0.01 0.00 -2.50 0.00 0.00 54.97 51.90 1zrp s GLU 49 Cb -0.16 -2.01 -0.03 0.00 0.00 0.00 0.00 34.13 31.93 1zrp s GLU 49 CO 0.09 -2.07 -0.05 0.21 0.02 0.00 0.00 175.26 173.46 1zrp s LYS 50 N -5.63 0.50 -0.30 4.30 2.20 -1.26 -0.46 119.74 119.09 1zrp s LYS 50 Ca 0.71 -0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 55.45 1zrp s LYS 50 Cb -0.04 -0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1zrp s LYS 50 CO 0.50 -0.03 0.02 -0.11 -0.36 0.00 0.00 175.35 175.38 1zrp n LEU 51 N 1.07 -7.91 0.21 5.43 7.94 -0.94 -4.92 117.00 117.88 1zrp n LEU 51 Ca -0.20 1.52 0.12 0.00 -1.11 0.00 0.00 56.01 56.35 1zrp n LEU 51 Cb 0.57 -3.37 0.23 0.00 0.53 0.00 0.00 43.42 41.38 1zrp n LEU 51 CO 0.23 -3.32 0.83 1.05 -1.11 0.00 0.00 177.39 175.07 1zrp h GLU 52 N 3.16 0.00 0.00 1.96 4.11 -1.96 -3.52 114.58 118.33 1zrp h GLU 52 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1zrp h GLU 52 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1zrp h GLU 52 CO 0.09 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.92