#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 -0.09 -0.24 12.58 2.01 -1.26 -4.01 115.64 124.62 1cxr s THR 2 Ca 0.00 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 1cxr s THR 2 Cb 0.00 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 1cxr s THR 2 CO 0.00 -0.18 0.16 0.00 -0.69 0.00 0.00 174.62 173.91 1cxr h PRO 5 N 3.05 0.01 -3.66 0.00 0.13 -1.94 -3.42 132.00 126.17 1cxr h PRO 5 Ca -0.34 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.71 1cxr h PRO 5 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 1cxr h PRO 5 CO 0.64 0.76 -0.16 -1.54 -0.23 0.00 0.00 178.00 177.46 1cxr s SER 6 N -6.81 -0.08 0.23 1.44 1.04 -1.26 -5.04 113.70 103.23 1cxr s SER 6 Ca -0.01 -0.80 0.12 0.00 0.48 0.00 0.00 55.95 55.75 1cxr s SER 6 Cb 0.12 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1cxr s SER 6 CO 0.78 -1.02 1.42 -0.29 0.98 0.00 0.00 173.24 175.11 1cxr h ILE 7 N 2.35 1.19 0.00 -1.02 -0.00 -2.00 -3.07 117.51 114.96 1cxr h ILE 7 Ca -0.29 -2.57 -0.04 0.00 -0.00 0.00 0.00 64.86 61.95 1cxr h ILE 7 Cb 1.24 2.52 -0.01 0.00 -0.00 0.00 0.00 36.82 40.57 1cxr h ILE 7 CO 0.41 0.66 -0.21 0.58 -0.00 0.00 0.00 178.15 179.59 1cxr h VAL 8 N 0.00 1.02 0.00 2.19 2.07 -2.01 0.00 116.25 119.52 1cxr h VAL 8 Ca -0.01 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1cxr h VAL 8 Cb 1.46 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1cxr h VAL 8 CO 0.09 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.86 1cxr h ALA 9 N 1.79 1.01 -0.36 1.67 0.00 -1.85 -1.22 119.26 120.29 1cxr h ALA 9 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cxr h ALA 9 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1cxr h ALA 9 CO 0.03 0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.84 1cxr n ARG 10 N -3.13 1.86 0.24 0.00 1.74 -0.02 -3.90 116.66 113.46 1cxr n ARG 10 Ca 0.00 -1.33 0.11 0.00 -0.77 0.00 0.00 57.85 55.86 1cxr n ARG 10 Cb 0.29 -1.30 0.59 0.00 -1.02 0.00 0.00 32.46 31.03 1cxr n ARG 10 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1cxr h SER 11 N 2.19 0.00 1.68 0.55 0.87 -1.22 -1.23 113.55 116.39 1cxr h SER 11 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1cxr h SER 11 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1cxr h SER 11 CO 0.00 0.18 0.00 0.78 -0.53 0.00 0.00 176.83 177.26 1cxr h ASN 12 N 0.00 0.00 0.46 6.23 2.35 -1.79 -2.80 115.58 120.03 1cxr h ASN 12 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cxr h ASN 12 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1cxr h ASN 12 CO 0.02 0.00 0.00 0.33 -1.65 0.00 0.00 177.43 176.13 1cxr n PHE 13 N -3.00 0.00 0.42 1.19 7.35 -0.47 -3.01 117.46 119.95 1cxr n PHE 13 Ca 0.03 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.84 1cxr n PHE 13 Cb 0.46 -0.23 0.47 0.00 0.35 0.00 0.00 39.48 40.53 1cxr n PHE 13 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1cxr n ASN 14 N -1.23 0.63 0.05 -2.13 3.02 -1.06 -1.34 115.26 113.20 1cxr n ASN 14 Ca 0.16 0.65 0.12 0.00 -0.03 0.00 0.00 54.58 55.47 1cxr n ASN 14 Cb 0.22 -0.78 0.13 0.00 -0.61 0.00 0.00 39.78 38.73 1cxr n ASN 14 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1cxr n VAL 15 N -2.19 0.30 -0.04 2.41 0.31 -1.16 -3.06 118.33 114.89 1cxr n VAL 15 Ca 0.02 -0.26 -0.22 0.00 -0.01 0.00 0.00 64.34 63.88 1cxr n VAL 15 Cb 0.24 -0.03 -0.13 0.00 -0.91 0.00 0.00 33.84 33.01 1cxr n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cxr h ARG 17 N -0.42 0.00 -6.86 0.00 0.11 -1.45 -3.42 114.38 102.34 1cxr h ARG 17 Ca -0.39 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.22 1cxr h ARG 17 Cb 1.71 0.00 0.04 0.00 1.11 0.00 0.00 29.97 32.82 1cxr h ARG 17 CO -0.05 0.03 0.02 -0.51 0.10 0.00 0.00 179.97 179.56 1cxr s LEU 18 N -6.36 3.56 -1.13 0.08 1.02 -1.17 -4.95 118.68 109.73 1cxr s LEU 18 Ca -0.02 0.58 -0.15 0.00 0.02 0.00 0.00 54.13 54.56 1cxr s LEU 18 Cb 0.11 -3.46 -0.07 0.00 0.02 0.00 0.00 46.19 42.80 1cxr s LEU 18 CO 0.51 -0.74 2.18 -0.81 0.02 0.00 0.00 176.35 177.51 1cxr n PRO 19 N -2.24 2.30 0.11 1.29 -0.04 -1.26 -3.88 135.00 131.29 1cxr n PRO 19 Ca 0.01 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1cxr n PRO 19 Cb 0.57 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 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 4.16 -0.27 3.59 0.55 0.00 -1.26 -5.06 105.19 106.90 1cxr n GLY 20 Ca 0.53 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 1cxr n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cxr n THR 21 N -3.27 -5.83 -0.01 2.61 -1.04 -1.06 -4.92 114.28 100.75 1cxr n THR 21 Ca 0.00 -0.78 -0.12 0.00 -2.04 0.00 0.00 64.05 61.11 1cxr n THR 21 Cb 0.00 -4.53 -0.10 0.00 -1.82 0.00 0.00 70.33 63.88 1cxr n THR 21 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1cxr h SER 22 N -1.72 -0.05 0.80 8.00 0.87 -1.95 -3.33 113.55 116.17 1cxr h SER 22 Ca -0.62 -0.60 -0.24 0.00 -1.23 0.00 0.00 61.79 59.10 1cxr h SER 22 Cb 1.35 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.28 1cxr h SER 22 CO 0.52 0.62 -1.28 -0.33 -0.53 0.00 0.00 176.83 175.83 1cxr h GLU 23 N -0.79 0.00 0.00 2.24 4.39 -1.91 -3.47 114.58 115.04 1cxr h GLU 23 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1cxr h GLU 23 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1cxr h GLU 23 CO 0.01 0.78 0.00 0.00 -1.16 0.00 0.00 179.01 178.64 1cxr n ALA 24 N -2.43 0.00 -2.01 3.43 0.00 -1.25 -4.47 120.51 113.78 1cxr n ALA 24 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 1cxr n ALA 24 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.42 1cxr n ALA 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1cxr n ILE 25 N 0.00 5.16 -0.06 0.00 -0.00 -1.26 -4.62 119.36 118.58 1cxr n ILE 25 Ca 0.00 -4.30 -0.01 0.00 -0.00 0.00 0.00 62.75 58.44 1cxr n ILE 25 Cb 0.00 -2.11 0.26 0.00 -0.00 0.00 0.00 39.64 37.79 1cxr n ILE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1cxr h ALA 27 N 1.45 2.29 0.07 0.00 0.00 -1.91 0.80 119.26 121.96 1cxr h ALA 27 Ca 0.14 0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.87 1cxr h ALA 27 Cb 0.28 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1cxr h ALA 27 CO 0.00 -0.88 -1.86 1.15 0.00 0.00 0.00 179.25 177.66 1cxr h THR 28 N 0.23 0.74 -0.50 0.00 2.02 -1.51 -3.10 112.91 110.80 1cxr h THR 28 Ca 0.75 -2.51 -0.28 0.00 0.77 0.00 0.00 66.41 65.14 1cxr h THR 28 Cb 1.99 2.48 -0.15 0.00 -1.74 0.00 0.00 68.15 70.73 1cxr h THR 28 CO -0.50 0.73 0.35 0.00 0.37 0.00 0.00 175.52 176.47 1cxr n TYR 29 N -3.30 1.55 -1.71 3.16 9.36 0.16 -3.49 117.16 122.89 1cxr n TYR 29 Ca -0.25 -1.36 0.00 0.00 3.32 0.00 0.00 57.90 59.61 1cxr n TYR 29 Cb 1.05 -0.68 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 1cxr n TYR 29 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1cxr n THR 30 N -0.19 0.00 0.00 2.97 5.66 0.23 -4.87 114.28 118.08 1cxr n THR 30 Ca 0.30 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1cxr n THR 30 Cb 0.98 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 70.40 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 0.00 1.72 3.10 1.09 0.00 -1.23 -4.41 105.19 105.47 1cxr n GLY 31 Ca 0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.43 0.20 -0.33 0.00 -0.00 -1.17 -4.16 121.20 113.30 1cxr s ILE 33 Ca 0.64 -2.00 -0.13 0.00 -0.00 0.00 0.00 60.65 59.17 1cxr s ILE 33 Cb -0.09 -2.48 -0.02 0.00 -0.00 0.00 0.00 42.46 39.87 1cxr s ILE 33 CO 0.51 0.00 0.24 -0.63 -0.00 0.00 0.00 174.94 175.06 1cxr s ILE 34 N -3.55 5.29 0.18 8.37 1.01 -1.26 -4.38 121.20 126.85 1cxr s ILE 34 Ca 0.36 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.87 1cxr s ILE 34 Cb 0.04 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1cxr s ILE 34 CO 0.20 0.02 0.31 0.27 0.00 0.00 0.00 174.94 175.74 1cxr s ILE 35 N 1.73 5.30 -0.07 2.92 -4.36 -1.26 -5.05 121.20 120.42 1cxr s ILE 35 Ca 0.06 -0.78 -0.15 0.00 -0.26 0.00 0.00 60.65 59.52 1cxr s ILE 35 Cb -0.17 -3.78 -0.11 0.00 1.25 0.00 0.00 42.46 39.65 1cxr s ILE 35 CO 0.11 -0.17 0.58 1.55 0.24 0.00 0.00 174.94 177.25 1cxr h PRO 36 N 1.82 -0.23 -1.00 0.37 0.13 -1.93 -3.46 132.00 127.70 1cxr h PRO 36 Ca -0.50 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1cxr h PRO 36 Cb 1.21 0.05 -0.20 0.00 0.13 0.00 0.00 31.00 32.19 1cxr h PRO 36 CO 0.66 0.07 -0.42 0.20 -0.23 0.00 0.00 178.00 178.28 1cxr s GLY 37 N -3.33 -1.27 -1.52 1.56 0.00 -1.26 -4.95 107.32 96.56 1cxr s GLY 37 Ca -0.09 0.52 -0.03 0.00 0.00 0.00 0.00 44.72 45.12 1cxr s GLY 37 CO 0.31 3.68 0.30 0.00 0.00 0.00 0.00 173.10 177.39 1cxr n ALA 38 N 4.77 -1.90 -3.61 3.20 0.00 -1.26 -4.91 120.51 116.81 1cxr n ALA 38 Ca 0.09 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.94 1cxr n ALA 38 Cb 0.56 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 1cxr n ALA 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cxr s THR 39 N -4.03 0.96 0.65 0.00 2.01 -1.26 -5.05 115.64 108.91 1cxr s THR 39 Ca 0.12 -2.38 -0.15 0.00 0.31 0.00 0.00 61.69 59.58 1cxr s THR 39 Cb -0.06 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 1cxr s THR 39 CO 0.94 -0.97 1.11 0.00 -0.69 0.00 0.00 174.62 175.01 1cxr h PRO 41 N 0.10 0.00 0.00 0.00 0.13 -1.98 -3.47 132.00 126.78 1cxr h PRO 41 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cxr h PRO 41 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1cxr h PRO 41 CO 0.54 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 1cxr n GLY 42 N 0.64 2.37 0.25 1.56 0.00 -1.26 -4.93 105.19 103.82 1cxr n GLY 42 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 0.61 0.00 1.61 3.32 -2.01 -3.29 116.42 116.66 1cxr h ASP 43 Ca 0.00 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.81 1cxr h ASP 43 Cb 0.00 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1cxr h ASP 43 CO 0.00 0.42 -1.95 -1.22 -1.72 0.00 0.00 179.24 174.77 1cxr n TYR 44 N -4.73 0.00 -3.59 4.55 4.01 -1.26 -5.02 117.16 111.12 1cxr n TYR 44 Ca 0.06 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.54 1cxr n TYR 44 Cb 0.10 -0.65 0.04 0.00 -0.31 0.00 0.00 39.34 38.52 1cxr n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1cxr n ALA 45 N -2.86 -2.56 -0.99 -0.72 0.00 -1.24 -4.85 120.51 107.28 1cxr n ALA 45 Ca -0.28 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1cxr n ALA 45 Cb 0.85 -3.84 0.00 0.00 0.00 0.00 0.00 19.45 16.45 1cxr n ALA 45 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79