#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 2.52 0.07 0.00 2.20 -1.26 -2.08 119.74 121.18 1zrp s LYS 2 Ca 0.00 -0.65 0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1zrp s LYS 2 Cb 0.00 -2.21 -0.04 0.00 -1.51 0.00 0.00 37.83 34.07 1zrp s LYS 2 CO 0.00 -0.18 0.01 -1.58 -0.36 0.00 0.00 175.35 173.24 1zrp s TRP 3 N 1.28 3.03 0.14 4.03 0.52 0.20 -2.20 118.94 125.94 1zrp s TRP 3 Ca 0.02 0.01 0.09 0.00 0.02 0.00 0.00 56.10 56.24 1zrp s TRP 3 Cb -0.13 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.57 1zrp s TRP 3 CO -0.09 0.48 -0.21 0.54 0.02 0.00 0.00 176.95 177.69 1zrp s VAL 4 N -1.27 1.94 -0.34 4.03 0.11 0.20 0.58 120.40 125.64 1zrp s VAL 4 Ca 0.25 -1.79 -0.26 0.00 -2.93 0.00 0.00 61.98 57.25 1zrp s VAL 4 Cb -0.12 -1.82 0.01 0.00 -1.53 0.00 0.00 36.38 32.93 1zrp s VAL 4 CO 0.17 -0.13 0.93 0.00 -3.33 0.00 0.00 175.10 172.73 1zrp n LYS 6 N 6.66 2.51 0.00 0.00 0.00 -0.90 -1.58 118.16 124.85 1zrp n LYS 6 Ca 0.07 -1.37 0.00 0.00 0.00 0.00 0.00 58.31 57.01 1zrp n LYS 6 Cb 0.48 -1.69 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 0.34 0.00 0.08 3.15 5.41 -1.26 -4.88 119.36 122.20 1zrp n ILE 7 Ca 0.12 0.17 -0.20 0.00 1.00 0.00 0.00 62.75 63.85 1zrp n ILE 7 Cb 0.57 -1.07 -0.15 0.00 -0.71 0.00 0.00 39.64 38.29 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 1.72 1.26 3.96 0.00 0.00 -0.61 -5.10 105.19 106.42 1zrp n GLY 9 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 2.84 -0.03 1.61 5.04 -1.25 -4.89 117.35 118.67 1zrp s TYR 10 Ca 0.00 0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 54.72 1zrp s TYR 10 Cb 0.00 -2.89 0.02 0.00 0.35 0.00 0.00 41.96 39.44 1zrp s TYR 10 CO 0.00 -1.05 0.07 0.42 -1.34 0.00 0.00 175.55 173.65 1zrp s ILE 11 N -2.91 -0.02 -0.12 3.14 1.09 -1.26 0.59 121.20 121.70 1zrp s ILE 11 Ca 0.58 0.07 -0.09 0.00 -1.10 0.00 0.00 60.65 60.11 1zrp s ILE 11 Cb -0.10 -0.11 -0.04 0.00 -1.06 0.00 0.00 42.46 41.14 1zrp s ILE 11 CO 0.40 0.03 0.18 -0.47 -0.10 0.00 0.00 174.94 174.98 1zrp s TYR 12 N 0.39 3.58 -0.24 3.97 5.04 0.20 -4.95 117.35 125.33 1zrp s TYR 12 Ca -0.03 0.55 0.02 0.00 -2.44 0.00 0.00 57.07 55.17 1zrp s TYR 12 Cb -0.04 -2.04 0.06 0.00 0.35 0.00 0.00 41.96 40.29 1zrp s TYR 12 CO -0.01 0.63 -0.08 0.34 -1.34 0.00 0.00 175.55 175.08 1zrp s ASP 13 N -0.73 4.00 0.64 4.32 2.15 -1.26 0.58 116.67 126.37 1zrp s ASP 13 Ca 0.15 -1.21 0.42 0.00 0.43 0.00 0.00 52.55 52.33 1zrp s ASP 13 Cb -0.12 -1.32 2.24 0.00 -0.30 0.00 0.00 42.92 43.42 1zrp s ASP 13 CO 0.04 -0.20 2.32 -0.33 -0.17 0.00 0.00 175.17 176.83 1zrp h GLU 14 N 7.89 0.00 0.02 4.34 5.08 -1.70 -0.74 114.58 129.47 1zrp h GLU 14 Ca -0.20 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.95 1zrp h GLU 14 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1zrp h GLU 14 CO 0.44 0.00 -0.94 -0.44 -1.00 0.00 0.00 179.01 177.07 1zrp h ASP 15 N 0.00 0.18 0.00 1.42 5.19 -1.87 -1.85 116.42 119.50 1zrp h ASP 15 Ca -0.00 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1zrp h ASP 15 Cb 0.06 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1zrp h ASP 15 CO 0.00 1.02 -1.83 0.00 -3.12 0.00 0.00 179.24 175.31 1zrp n ALA 16 N -2.44 2.71 0.00 3.45 0.00 -0.62 -4.47 120.51 119.15 1zrp n ALA 16 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1zrp n ALA 16 Cb 0.86 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 1.45 -1.71 2.71 0.00 0.00 -0.38 -4.54 105.19 102.71 1zrp n GLY 17 Ca -0.03 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 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 0.02 -2.13 0.21 1.61 2.03 -0.84 -4.57 116.55 112.88 1zrp n ASP 18 Ca 0.00 -3.40 0.09 0.00 0.52 0.00 0.00 54.79 52.01 1zrp n ASP 18 Cb 0.00 1.64 0.50 0.00 -0.72 0.00 0.00 41.12 42.53 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 2.77 0.00 0.00 -0.67 0.13 -1.84 0.67 132.00 133.06 1zrp h PRO 19 Ca -0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 1zrp h PRO 19 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1zrp h PRO 19 CO 0.10 0.00 -0.20 0.22 -0.23 0.00 0.00 178.00 177.88 1zrp h ASP 20 N 0.00 0.00 0.00 1.44 3.58 -1.93 -2.24 116.42 117.26 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 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1zrp h ASP 20 CO 0.00 0.20 -0.14 0.59 -2.88 0.00 0.00 179.24 177.01 1zrp n ASN 21 N -3.25 1.63 -1.77 2.28 3.02 0.20 -5.01 115.26 112.36 1zrp n ASN 21 Ca 0.01 -2.70 -0.06 0.00 -0.03 0.00 0.00 54.58 51.80 1zrp n ASN 21 Cb 0.49 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.97 0.22 3.64 7.41 0.00 0.93 -5.03 105.19 111.39 1zrp n GLY 22 Ca 0.11 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.12 4.32 0.33 -0.61 1.09 -0.23 -4.89 121.20 118.09 1zrp s ILE 23 Ca 0.04 -0.23 -0.18 0.00 -1.10 0.00 0.00 60.65 59.18 1zrp s ILE 23 Cb -0.02 -2.85 -0.09 0.00 -1.06 0.00 0.00 42.46 38.44 1zrp s ILE 23 CO 0.25 0.56 0.80 -0.44 -0.10 0.00 0.00 174.94 176.01 1zrp s SER 24 N -0.44 6.90 -0.85 3.58 0.01 -1.26 -1.99 113.70 119.65 1zrp s SER 24 Ca 0.08 1.44 -0.25 0.00 1.31 0.00 0.00 55.95 58.54 1zrp s SER 24 Cb -0.12 -2.44 -0.17 0.00 0.21 0.00 0.00 66.02 63.50 1zrp s SER 24 CO 0.02 -0.19 2.30 -0.81 0.41 0.00 0.00 173.24 174.97 1zrp n PRO 25 N -0.18 0.40 0.00 12.44 -0.04 -1.26 -1.33 135.00 145.03 1zrp n PRO 25 Ca 0.03 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1zrp n PRO 25 Cb 0.53 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 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 6.53 0.85 3.90 0.55 0.00 -0.69 -4.96 105.19 111.36 1zrp n GLY 26 Ca 0.46 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.90 3.36 0.29 2.61 2.01 -0.44 -5.03 115.64 117.53 1zrp s THR 27 Ca 0.00 0.22 0.09 0.00 0.31 0.00 0.00 61.69 62.31 1zrp s THR 27 Cb 0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1zrp s THR 27 CO 0.00 -0.48 0.04 -0.75 -0.69 0.00 0.00 174.62 172.74 1zrp s LYS 28 N -5.23 2.34 0.02 4.92 2.20 -1.26 -4.71 119.74 118.02 1zrp s LYS 28 Ca 0.57 -1.44 -0.14 0.00 -0.36 0.00 0.00 55.97 54.59 1zrp s LYS 28 Cb -0.11 -2.18 -0.08 0.00 -1.51 0.00 0.00 37.83 33.96 1zrp s LYS 28 CO 0.49 0.30 1.13 0.35 -0.36 0.00 0.00 175.35 177.25 1zrp h PHE 29 N 1.78 -0.48 0.00 4.03 3.57 -1.97 0.28 116.94 124.15 1zrp h PHE 29 Ca -0.44 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1zrp h PHE 29 Cb 1.25 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1zrp h PHE 29 CO 0.66 -0.30 0.00 -0.85 -2.23 0.00 0.00 178.31 175.59 1zrp n GLU 30 N -3.50 0.96 -0.55 1.11 0.28 -1.26 0.35 120.64 118.02 1zrp n GLU 30 Ca -0.06 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.00 1zrp n GLU 30 Cb 0.21 -1.15 0.27 0.00 1.43 0.00 0.00 31.44 32.19 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1zrp n GLU 31 N -0.65 3.02 -1.94 3.44 0.00 -0.25 -4.99 120.64 119.28 1zrp n GLU 31 Ca 0.07 -2.92 -0.29 0.00 0.00 0.00 0.00 57.16 54.02 1zrp n GLU 31 Cb 0.03 -1.90 0.10 0.00 0.00 0.00 0.00 31.44 29.67 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1zrp s LEU 32 N -2.88 2.56 0.89 4.31 1.43 0.15 -4.45 118.68 120.69 1zrp s LEU 32 Ca 0.44 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.08 1zrp s LEU 32 Cb 0.36 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 1zrp s LEU 32 CO 0.09 -1.98 0.16 -2.65 0.23 0.00 0.00 176.35 172.20 1zrp n PRO 33 N -3.34 -0.08 0.04 1.29 -0.02 -1.26 -4.90 135.00 126.73 1zrp n PRO 33 Ca 0.09 0.01 -0.12 0.00 -2.02 0.00 0.00 63.50 61.46 1zrp n PRO 33 Cb 0.61 -1.64 -0.08 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.11 -0.02 -0.72 2.55 5.19 -1.99 -2.41 116.42 117.92 1zrp h ASP 34 Ca -0.44 -0.09 -0.45 0.00 -0.62 0.00 0.00 57.03 55.43 1zrp h ASP 34 Cb 1.31 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.56 1zrp h ASP 34 CO 0.34 0.08 0.13 -0.67 -3.12 0.00 0.00 179.24 176.00 1zrp n ASP 35 N -5.06 4.60 -4.62 6.45 2.03 -1.26 -5.01 116.55 113.69 1zrp n ASP 35 Ca -0.07 -3.76 -0.43 0.00 0.52 0.00 0.00 54.79 51.05 1zrp n ASP 35 Cb 0.08 -0.70 -0.03 0.00 -0.72 0.00 0.00 41.12 39.75 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1zrp s TRP 36 N -3.49 1.32 0.53 -0.67 -0.00 -0.91 -4.89 118.94 110.84 1zrp s TRP 36 Ca 0.53 0.33 0.01 0.00 -0.00 0.00 0.00 56.10 56.97 1zrp s TRP 36 Cb 0.45 -4.02 0.01 0.00 -0.00 0.00 0.00 33.47 29.90 1zrp s TRP 36 CO 0.02 -4.22 0.08 0.14 -0.00 0.00 0.00 176.95 172.97 1zrp s VAL 37 N 7.08 1.10 0.06 5.86 -7.23 -1.26 -1.72 120.40 124.29 1zrp s VAL 37 Ca 0.94 -1.91 -0.31 0.00 -1.81 0.00 0.00 61.98 58.89 1zrp s VAL 37 Cb -0.33 -2.01 -0.07 0.00 0.56 0.00 0.00 36.38 34.52 1zrp s VAL 37 CO 0.36 0.00 1.45 0.00 -0.31 0.00 0.00 175.10 176.60 1zrp n PRO 39 N 4.82 0.15 0.00 0.00 -0.04 -1.26 -1.60 135.00 137.06 1zrp n PRO 39 Ca 0.13 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1zrp n PRO 39 Cb 0.42 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1zrp n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1zrp n ILE 40 N -2.22 0.00 0.52 0.52 -0.00 -1.26 -4.87 119.36 112.06 1zrp n ILE 40 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 62.75 62.87 1zrp n ILE 40 Cb 0.08 -0.80 0.40 0.00 -0.00 0.00 0.00 39.64 39.32 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 1.00 0.53 3.60 0.00 0.00 -0.63 -4.99 105.19 104.70 1zrp n GLY 42 Ca 0.05 -0.87 -0.41 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 3.53 1.03 4.61 0.00 -1.26 -4.51 121.76 123.16 1zrp s ALA 43 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.09 1zrp s ALA 43 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 1zrp s ALA 43 CO 0.00 -1.03 -0.37 -2.30 0.00 0.00 0.00 175.76 172.05 1zrp n PRO 44 N 5.80 -0.67 0.05 0.00 -0.02 -1.26 -0.23 135.00 138.67 1zrp n PRO 44 Ca -0.02 -0.18 0.04 0.00 -2.02 0.00 0.00 63.50 61.32 1zrp n PRO 44 Cb 0.49 -1.47 0.21 0.00 -0.02 0.00 0.00 33.50 32.71 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 -0.23 0.05 0.08 -0.52 2.85 -0.70 -2.17 118.16 117.52 1zrp n LYS 45 Ca 0.01 0.51 0.04 0.00 -1.05 0.00 0.00 58.31 57.82 1zrp n LYS 45 Cb 0.62 -1.64 0.44 0.00 -0.65 0.00 0.00 35.03 33.80 1zrp n LYS 45 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1zrp h SER 46 N 0.00 0.33 -0.46 -5.58 4.64 -1.87 -0.07 113.55 110.54 1zrp h SER 46 Ca 0.00 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1zrp h SER 46 Cb 0.04 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 1zrp h SER 46 CO 0.00 0.31 0.05 -0.62 -0.87 0.00 0.00 176.83 175.70 1zrp n GLU 47 N -4.42 3.58 -3.24 4.77 -0.58 -0.92 -4.82 120.64 115.02 1zrp n GLU 47 Ca 0.01 -3.02 -0.43 0.00 -0.42 0.00 0.00 57.16 53.30 1zrp n GLU 47 Cb 0.14 -2.04 -0.08 0.00 -0.57 0.00 0.00 31.44 28.88 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 -2.88 3.12 0.26 -0.32 0.40 -0.04 -2.11 117.98 116.40 1zrp s PHE 48 Ca 0.49 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.43 1zrp s PHE 48 Cb 0.39 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.72 1zrp s PHE 48 CO 0.11 -0.82 0.45 -1.83 0.70 0.00 0.00 175.22 173.83 1zrp s GLU 49 N 2.37 3.51 0.17 0.44 4.04 0.20 -4.84 118.70 124.59 1zrp s GLU 49 Ca 0.14 -0.36 -0.09 0.00 0.04 0.00 0.00 54.97 54.71 1zrp s GLU 49 Cb -0.17 -2.78 -0.06 0.00 0.02 0.00 0.00 34.13 31.14 1zrp s GLU 49 CO 0.14 0.31 0.47 0.15 -1.84 0.00 0.00 175.26 174.50 1zrp s LYS 50 N -3.71 3.76 -0.44 -4.83 1.02 -1.26 0.58 119.74 114.86 1zrp s LYS 50 Ca 0.39 0.17 -0.03 0.00 0.02 0.00 0.00 55.97 56.52 1zrp s LYS 50 Cb -0.10 -2.79 0.13 0.00 -0.52 0.00 0.00 37.83 34.54 1zrp s LYS 50 CO 0.31 0.42 2.52 -0.11 -0.92 0.00 0.00 175.35 177.57 1zrp n LEU 51 N 0.19 6.55 -3.18 3.17 0.00 -0.94 -4.63 117.00 118.16 1zrp n LEU 51 Ca -0.02 -3.89 0.05 0.00 0.00 0.00 0.00 56.01 52.14 1zrp n LEU 51 Cb 0.52 -1.17 -0.02 0.00 0.00 0.00 0.00 43.42 42.75 1zrp n LEU 51 CO 0.45 1.59 0.54 -0.70 0.00 0.00 0.00 177.39 179.27 1zrp s GLU 52 N -1.89 0.25 0.00 1.96 2.12 -1.26 -4.94 118.70 114.94 1zrp s GLU 52 Ca 0.52 0.47 0.00 0.00 0.36 0.00 0.00 54.97 56.31 1zrp s GLU 52 Cb 0.35 0.26 0.00 0.00 0.26 0.00 0.00 34.13 35.01 1zrp s GLU 52 CO -0.16 -0.24 0.00 -0.25 -0.54 0.00 0.00 175.26 174.07