#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cxr s THR 2 N 0.00 0.26 -0.01 1.09 2.01 -1.26 -1.95 115.64 115.78 1cxr s THR 2 Ca 0.00 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.11 1cxr s THR 2 Cb 0.00 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1cxr s THR 2 CO 0.00 0.21 0.18 0.00 -0.69 0.00 0.00 174.62 174.33 1cxr h PRO 5 N 5.91 0.00 -3.65 0.00 0.13 -1.82 -3.36 132.00 129.22 1cxr h PRO 5 Ca -0.31 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.73 1cxr h PRO 5 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1cxr h PRO 5 CO 0.50 0.13 -0.34 -1.54 -0.23 0.00 0.00 178.00 176.51 1cxr s SER 6 N -6.09 0.04 0.35 1.44 1.04 -1.26 -4.87 113.70 104.35 1cxr s SER 6 Ca 0.03 -0.49 0.18 0.00 0.48 0.00 0.00 55.95 56.15 1cxr s SER 6 Cb 0.08 0.33 0.44 0.00 0.10 0.00 0.00 66.02 66.97 1cxr s SER 6 CO 0.64 -0.67 1.62 -0.29 0.98 0.00 0.00 173.24 175.51 1cxr h ILE 7 N 3.00 0.79 -0.54 -1.02 2.10 -1.96 -3.00 117.51 116.88 1cxr h ILE 7 Ca -0.33 -1.75 -0.09 0.00 1.08 0.00 0.00 64.86 63.77 1cxr h ILE 7 Cb 1.20 2.13 -0.02 0.00 -1.09 0.00 0.00 36.82 39.04 1cxr h ILE 7 CO 0.52 0.39 -0.01 0.58 -1.08 0.00 0.00 178.15 178.55 1cxr h VAL 8 N 0.00 1.26 0.00 2.19 2.07 -1.99 -1.51 116.25 118.28 1cxr h VAL 8 Ca -0.00 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 1cxr h VAL 8 Cb 1.10 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1cxr h VAL 8 CO 0.05 0.40 -0.26 0.00 0.02 0.00 0.00 177.57 177.78 1cxr h ALA 9 N 0.95 1.22 0.00 1.67 0.00 -1.79 -2.06 119.26 119.25 1cxr h ALA 9 Ca 0.15 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1cxr h ALA 9 Cb 0.55 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1cxr h ALA 9 CO 0.03 0.32 -0.67 -0.09 0.00 0.00 0.00 179.25 178.85 1cxr h ARG 10 N 0.00 0.00 0.00 0.00 9.65 -1.24 -2.73 114.38 120.06 1cxr h ARG 10 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1cxr h ARG 10 Cb 0.60 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1cxr h ARG 10 CO 0.03 0.67 0.00 1.03 2.80 0.00 0.00 179.97 184.50 1cxr h SER 11 N 0.00 0.00 0.13 -3.80 0.87 -0.56 -1.25 113.55 108.94 1cxr h SER 11 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1cxr h SER 11 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1cxr h SER 11 CO 0.09 0.00 -0.14 0.59 -0.53 0.00 0.00 176.83 176.84 1cxr n ASN 12 N -2.35 1.21 0.00 6.23 3.02 -1.03 -3.62 115.26 118.72 1cxr n ASN 12 Ca 0.02 -1.15 0.15 0.00 -0.03 0.00 0.00 54.58 53.58 1cxr n ASN 12 Cb 0.26 0.07 0.84 0.00 -0.61 0.00 0.00 39.78 40.34 1cxr n ASN 12 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1cxr n PHE 13 N -0.30 0.00 0.30 3.10 7.35 -0.47 -3.25 117.46 124.20 1cxr n PHE 13 Ca 0.15 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 57.02 1cxr n PHE 13 Cb 0.35 -0.16 0.94 0.00 0.35 0.00 0.00 39.48 40.96 1cxr n PHE 13 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1cxr h ASN 14 N 0.00 0.00 0.48 -2.13 2.35 -1.74 0.33 115.58 114.87 1cxr h ASN 14 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1cxr h ASN 14 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1cxr h ASN 14 CO 0.00 0.04 -0.25 0.58 -1.65 0.00 0.00 177.43 176.15 1cxr h VAL 15 N 0.00 0.86 0.00 2.81 2.07 -1.86 0.27 116.25 120.40 1cxr h VAL 15 Ca -0.00 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 1cxr h VAL 15 Cb 0.20 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1cxr h VAL 15 CO 0.00 0.24 -0.19 0.00 0.02 0.00 0.00 177.57 177.65 1cxr h ARG 17 N 0.00 0.07 -7.25 0.00 2.47 -1.04 -3.46 114.38 105.17 1cxr h ARG 17 Ca -0.00 -0.12 -0.43 0.00 -1.26 0.00 0.00 59.98 58.17 1cxr h ARG 17 Cb 1.13 0.05 0.19 0.00 -1.65 0.00 0.00 29.97 29.69 1cxr h ARG 17 CO 0.02 0.76 0.07 -0.51 0.56 0.00 0.00 179.97 180.88 1cxr s LEU 18 N -6.45 0.71 -1.13 3.04 1.02 0.81 -4.82 118.68 111.85 1cxr s LEU 18 Ca -0.06 1.12 -0.15 0.00 0.02 0.00 0.00 54.13 55.06 1cxr s LEU 18 Cb 0.08 -3.00 -0.07 0.00 0.02 0.00 0.00 46.19 43.22 1cxr s LEU 18 CO 0.82 -4.05 2.20 -0.81 0.02 0.00 0.00 176.35 174.54 1cxr n PRO 19 N -4.77 2.35 -1.12 1.29 -0.04 -1.26 -4.73 135.00 126.72 1cxr n PRO 19 Ca 0.07 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.47 1cxr n PRO 19 Cb 0.57 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1cxr n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cxr n GLY 20 N 4.11 0.92 1.68 0.55 0.00 -1.26 -5.06 105.19 106.13 1cxr n GLY 20 Ca 0.54 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 1cxr n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cxr n THR 21 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.73 114.28 116.56 1cxr n THR 21 Ca 0.00 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1cxr n THR 21 Cb 0.00 0.70 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 1cxr n THR 21 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cxr n SER 22 N -0.63 0.00 -2.92 1.09 3.41 -1.26 0.04 113.62 113.34 1cxr n SER 22 Ca -0.24 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.05 1cxr n SER 22 Cb 0.77 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.69 1cxr n SER 22 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cxr n GLU 23 N 12.85 3.38 0.00 4.33 4.71 -1.26 -4.85 120.64 139.81 1cxr n GLU 23 Ca 0.00 -2.80 0.00 0.00 -0.01 0.00 0.00 57.16 54.35 1cxr n GLU 23 Cb 0.00 -2.36 0.00 0.00 -1.01 0.00 0.00 31.44 28.07 1cxr n GLU 23 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1cxr n ALA 24 N 1.32 0.00 -2.91 0.62 0.00 0.11 -4.69 120.51 114.96 1cxr n ALA 24 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.56 1cxr n ALA 24 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 1cxr n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1cxr s ILE 25 N 0.00 4.48 -0.70 0.00 -1.09 -1.26 -4.84 121.20 117.79 1cxr s ILE 25 Ca 0.00 -0.51 0.24 0.00 -2.23 0.00 0.00 60.65 58.15 1cxr s ILE 25 Cb 0.00 -4.61 0.24 0.00 -1.58 0.00 0.00 42.46 36.51 1cxr s ILE 25 CO 0.00 -1.33 1.72 0.00 -1.23 0.00 0.00 174.94 174.10 1cxr h ALA 27 N 2.47 1.27 0.00 0.00 0.00 -1.88 1.21 119.26 122.33 1cxr h ALA 27 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1cxr h ALA 27 Cb 0.48 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1cxr h ALA 27 CO 0.00 0.64 -0.40 1.79 0.00 0.00 0.00 179.25 181.28 1cxr h THR 28 N 1.27 0.68 0.00 0.00 1.35 -1.70 0.40 112.91 114.92 1cxr h THR 28 Ca 0.34 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 1cxr h THR 28 Cb -0.08 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1cxr h THR 28 CO -0.07 0.39 -0.64 0.22 -0.25 0.00 0.00 175.52 175.17 1cxr h TYR 29 N 0.00 0.00 0.00 4.73 3.20 -1.24 -3.33 116.97 120.33 1cxr h TYR 29 Ca -0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1cxr h TYR 29 Cb 1.31 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 1cxr h TYR 29 CO 0.00 0.00 -1.83 -2.37 -1.64 0.00 0.00 178.16 172.32 1cxr n THR 30 N -2.82 0.27 0.00 1.81 5.66 0.40 -4.96 114.28 114.63 1cxr n THR 30 Ca 0.01 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 1cxr n THR 30 Cb 0.54 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1cxr n THR 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cxr n GLY 31 N 1.69 3.08 3.50 1.09 0.00 0.14 -4.53 105.19 110.16 1cxr n GLY 31 Ca -0.09 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1cxr n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxr s ILE 33 N -2.48 2.23 -0.20 0.00 -4.36 0.36 -4.30 121.20 112.45 1cxr s ILE 33 Ca 0.61 -1.48 -0.10 0.00 -0.26 0.00 0.00 60.65 59.42 1cxr s ILE 33 Cb -0.21 -1.91 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 1cxr s ILE 33 CO 0.64 0.29 0.13 -0.63 0.24 0.00 0.00 174.94 175.61 1cxr s ILE 34 N -0.89 5.40 0.08 8.37 1.01 -1.26 -1.14 121.20 132.78 1cxr s ILE 34 Ca 0.13 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1cxr s ILE 34 Cb -0.10 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1cxr s ILE 34 CO 0.03 0.43 -0.06 0.27 0.00 0.00 0.00 174.94 175.61 1cxr s ILE 35 N 0.43 0.58 0.00 2.92 -0.00 -0.82 -5.00 121.20 119.31 1cxr s ILE 35 Ca 0.08 -1.79 0.00 0.00 -0.00 0.00 0.00 60.65 58.94 1cxr s ILE 35 Cb -0.11 -1.50 0.00 0.00 -0.00 0.00 0.00 42.46 40.85 1cxr s ILE 35 CO -0.01 -0.83 0.12 -0.81 -0.00 0.00 0.00 174.94 173.41 1cxr n PRO 36 N 0.20 0.00 0.00 0.37 -0.04 -1.26 -1.23 135.00 133.03 1cxr n PRO 36 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1cxr n PRO 36 Cb 0.60 -0.61 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 1cxr n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cxr n GLY 37 N 1.76 2.56 2.60 0.55 0.00 -1.26 -2.97 105.19 108.43 1cxr n GLY 37 Ca 0.00 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 1cxr n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxr n ALA 38 N -3.00 6.13 0.83 4.61 0.00 -1.26 -4.32 120.51 123.50 1cxr n ALA 38 Ca 0.00 -3.67 0.09 0.00 0.00 0.00 0.00 53.44 49.86 1cxr n ALA 38 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 19.45 15.99 1cxr n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1cxr n THR 39 N 4.58 0.00 -1.42 0.00 -1.04 -1.26 -4.99 114.28 110.15 1cxr n THR 39 Ca 0.61 -0.33 -0.34 0.00 -2.04 0.00 0.00 64.05 61.94 1cxr n THR 39 Cb 0.33 1.25 0.09 0.00 -1.82 0.00 0.00 70.33 70.18 1cxr n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cxr h PRO 41 N -0.28 0.00 0.00 0.00 0.13 -1.99 -3.47 132.00 126.39 1cxr h PRO 41 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1cxr h PRO 41 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1cxr h PRO 41 CO 0.50 0.35 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 1cxr n GLY 42 N 0.59 2.93 0.27 1.56 0.00 -1.26 -4.83 105.19 104.45 1cxr n GLY 42 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1cxr n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cxr h ASP 43 N 0.00 0.00 1.11 1.61 5.19 -1.98 0.75 116.42 123.10 1cxr h ASP 43 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1cxr h ASP 43 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1cxr h ASP 43 CO 0.00 0.07 0.00 1.88 -3.12 0.00 0.00 179.24 178.07 1cxr h TYR 44 N 0.00 0.00 0.00 4.55 -1.99 -1.88 -3.47 116.97 114.19 1cxr h TYR 44 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1cxr h TYR 44 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.91 1cxr h TYR 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1cxr n ALA 45 N -1.98 0.00 0.94 3.88 0.00 0.25 -4.44 120.51 119.15 1cxr n ALA 45 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1cxr n ALA 45 Cb 0.32 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.87 1cxr n ALA 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77