#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 -0.05 -0.17 12.58 2.01 -1.26 -4.71 115.64 124.03 1cxr s THR 2 Ca 0.00 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.11 1cxr s THR 2 Cb 0.00 -0.07 -0.05 0.00 0.01 0.00 0.00 72.50 72.39 1cxr s THR 2 CO 0.00 0.08 0.13 0.00 -0.69 0.00 0.00 174.62 174.14 1cxr h PRO 5 N 3.59 0.00 0.00 0.00 0.13 -1.94 -3.45 132.00 130.32 1cxr h PRO 5 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1cxr h PRO 5 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1cxr h PRO 5 CO 0.59 0.23 0.03 -1.13 -0.23 0.00 0.00 178.00 177.49 1cxr n SER 6 N -3.27 -0.31 -0.47 1.44 3.41 -1.26 -5.02 113.62 108.14 1cxr n SER 6 Ca 0.01 -1.25 0.12 0.00 -0.26 0.00 0.00 58.87 57.50 1cxr n SER 6 Cb 0.51 0.53 0.25 0.00 -0.26 0.00 0.00 64.21 65.24 1cxr n SER 6 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1cxr n ILE 7 N -0.08 0.00 0.05 -1.33 -0.00 -1.26 -3.99 119.36 112.75 1cxr n ILE 7 Ca -0.01 -0.24 -0.21 0.00 -0.00 0.00 0.00 62.75 62.29 1cxr n ILE 7 Cb 0.09 0.84 -0.11 0.00 -0.00 0.00 0.00 39.64 40.46 1cxr n ILE 7 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1cxr h VAL 8 N 2.31 1.29 0.00 7.28 2.07 -1.98 -2.94 116.25 124.27 1cxr h VAL 8 Ca 0.00 -2.29 -0.07 0.00 0.82 0.00 0.00 66.70 65.16 1cxr h VAL 8 Cb 0.65 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1cxr h VAL 8 CO 0.00 0.71 -0.32 0.00 0.02 0.00 0.00 177.57 177.98 1cxr h ALA 9 N 0.36 1.44 0.00 1.67 0.00 -1.80 -1.22 119.26 119.71 1cxr h ALA 9 Ca -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1cxr h ALA 9 Cb 1.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1cxr h ALA 9 CO 0.21 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1cxr h ARG 10 N 0.00 0.00 0.00 0.00 3.08 -1.70 -2.62 114.38 113.14 1cxr h ARG 10 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1cxr h ARG 10 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1cxr h ARG 10 CO 0.04 0.00 -0.52 1.03 -1.07 0.00 0.00 179.97 179.45 1cxr h SER 11 N 0.00 0.00 1.27 7.04 0.87 -1.04 -2.84 113.55 118.85 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 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1cxr h SER 11 CO 0.00 0.52 0.00 0.59 -0.53 0.00 0.00 176.83 177.41 1cxr n ASN 12 N -3.35 0.80 0.06 6.23 4.13 -0.99 -2.66 115.26 119.49 1cxr n ASN 12 Ca 0.01 0.61 0.10 0.00 1.68 0.00 0.00 54.58 56.97 1cxr n ASN 12 Cb 0.68 -0.81 0.41 0.00 -1.54 0.00 0.00 39.78 38.52 1cxr n ASN 12 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1cxr n PHE 13 N -2.28 0.40 0.31 3.10 7.35 -1.07 -2.06 117.46 123.21 1cxr n PHE 13 Ca 0.04 0.15 0.16 0.00 -0.76 0.00 0.00 57.45 57.05 1cxr n PHE 13 Cb 0.37 -0.75 0.68 0.00 0.35 0.00 0.00 39.48 40.14 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 1.01 -2.13 2.35 -1.67 -0.78 115.58 114.36 1cxr h ASN 14 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cxr h ASN 14 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1cxr h ASN 14 CO 0.00 0.00 0.00 0.52 -1.65 0.00 0.00 177.43 176.30 1cxr n VAL 15 N -2.82 0.61 0.15 2.81 0.31 -0.88 -2.20 118.33 116.32 1cxr n VAL 15 Ca 0.01 0.01 0.02 0.00 -0.01 0.00 0.00 64.34 64.36 1cxr n VAL 15 Cb 0.25 -0.81 0.13 0.00 -0.91 0.00 0.00 33.84 32.50 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 0.00 0.00 -7.20 0.00 -0.00 -1.56 -3.40 114.38 102.22 1cxr h ARG 17 Ca -0.01 0.00 -0.45 0.00 -0.50 0.00 0.00 59.98 59.02 1cxr h ARG 17 Cb 1.24 0.00 0.20 0.00 0.00 0.00 0.00 29.97 31.41 1cxr h ARG 17 CO 0.07 0.39 0.07 -0.51 0.00 0.00 0.00 179.97 180.00 1cxr s LEU 18 N -6.63 1.21 0.23 3.04 1.02 -1.10 -4.90 118.68 111.54 1cxr s LEU 18 Ca 0.03 1.52 0.25 0.00 0.02 0.00 0.00 54.13 55.95 1cxr s LEU 18 Cb 0.09 -3.54 0.90 0.00 0.02 0.00 0.00 46.19 43.65 1cxr s LEU 18 CO 0.71 -3.86 1.75 -0.81 0.02 0.00 0.00 176.35 174.15 1cxr n PRO 19 N -4.69 0.23 0.05 1.29 -0.04 -1.26 -2.77 135.00 127.81 1cxr n PRO 19 Ca 0.04 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.75 1cxr n PRO 19 Cb 0.55 -1.84 -0.12 0.00 -0.04 0.00 0.00 33.50 32.05 1cxr n PRO 19 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1cxr h GLY 20 N 3.40 0.00 -6.31 0.55 0.00 -1.90 -3.47 103.07 95.33 1cxr h GLY 20 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1cxr h GLY 20 CO 0.00 0.00 -0.76 2.41 0.00 0.00 0.00 176.54 178.19 1cxr n THR 21 N -3.29 -1.99 -1.52 4.70 -1.04 -1.11 -4.59 114.28 105.43 1cxr n THR 21 Ca -0.03 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1cxr n THR 21 Cb 0.96 -2.81 0.00 0.00 -1.82 0.00 0.00 70.33 66.66 1cxr n THR 21 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1cxr n SER 22 N -2.83 0.00 -2.22 8.00 3.41 -1.21 -1.03 113.62 117.74 1cxr n SER 22 Ca 0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.43 1cxr n SER 22 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 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 9.70 2.14 0.00 4.33 -0.58 -1.26 -4.86 120.64 130.11 1cxr n GLU 23 Ca 0.00 -1.98 0.00 0.00 -0.42 0.00 0.00 57.16 54.76 1cxr n GLU 23 Cb 0.00 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 1cxr n GLU 23 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cxr n ALA 24 N 0.69 0.00 -2.94 0.62 0.00 -0.20 -4.63 120.51 114.05 1cxr n ALA 24 Ca 0.41 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.41 1cxr n ALA 24 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 4.27 -0.20 0.00 2.08 -1.26 -4.77 119.36 119.48 1cxr n ILE 25 Ca 0.00 -4.74 -0.08 0.00 0.56 0.00 0.00 62.75 58.49 1cxr n ILE 25 Cb 0.00 -2.46 0.02 0.00 -0.75 0.00 0.00 39.64 36.44 1cxr n ILE 25 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1cxr h ALA 27 N 1.02 3.06 0.07 0.00 0.00 -1.92 0.45 119.26 121.95 1cxr h ALA 27 Ca 0.18 0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 1cxr h ALA 27 Cb 0.32 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1cxr h ALA 27 CO -0.00 -1.59 -1.68 1.15 0.00 0.00 0.00 179.25 177.13 1cxr h THR 28 N 0.08 0.75 -0.81 0.00 2.02 -1.54 -3.22 112.91 110.19 1cxr h THR 28 Ca 0.77 -2.28 -0.43 0.00 0.77 0.00 0.00 66.41 65.25 1cxr h THR 28 Cb 2.71 2.39 -0.16 0.00 -1.74 0.00 0.00 68.15 71.34 1cxr h THR 28 CO -0.21 0.65 0.38 -1.22 0.37 0.00 0.00 175.52 175.49 1cxr n TYR 29 N -3.89 1.54 -1.22 3.16 4.02 0.13 -3.66 117.16 117.24 1cxr n TYR 29 Ca -0.32 -1.95 0.00 0.00 -0.01 0.00 0.00 57.90 55.62 1cxr n TYR 29 Cb 0.89 -1.24 0.00 0.00 -0.02 0.00 0.00 39.34 38.98 1cxr n TYR 29 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1cxr n THR 30 N 0.72 0.00 0.00 -0.72 5.66 0.48 -4.82 114.28 115.59 1cxr n THR 30 Ca 0.42 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 1cxr n THR 30 Cb 0.58 0.89 0.00 0.00 -1.55 0.00 0.00 70.33 70.25 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 3.02 3.08 1.09 0.00 -1.24 -4.38 105.19 106.76 1cxr n GLY 31 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.57 0.50 -0.11 0.00 -4.36 -1.20 -4.33 121.20 109.12 1cxr s ILE 33 Ca 0.54 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.86 1cxr s ILE 33 Cb -0.03 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 1cxr s ILE 33 CO 0.36 0.00 0.14 -0.63 0.24 0.00 0.00 174.94 175.05 1cxr s ILE 34 N -3.47 5.50 0.16 8.37 1.01 -1.26 -4.37 121.20 127.15 1cxr s ILE 34 Ca 0.33 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1cxr s ILE 34 Cb 0.05 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1cxr s ILE 34 CO 0.17 0.60 0.04 0.27 0.00 0.00 0.00 174.94 176.02 1cxr s ILE 35 N -1.05 0.39 -0.07 2.92 -0.00 -1.26 -4.98 121.20 117.16 1cxr s ILE 35 Ca 0.16 -1.95 -0.14 0.00 -0.00 0.00 0.00 60.65 58.72 1cxr s ILE 35 Cb -0.12 -2.15 -0.10 0.00 -0.00 0.00 0.00 42.46 40.09 1cxr s ILE 35 CO 0.05 -0.40 0.54 1.55 -0.00 0.00 0.00 174.94 176.68 1cxr h PRO 36 N 2.73 -0.25 0.00 0.37 0.13 -1.94 -3.50 132.00 129.54 1cxr h PRO 36 Ca -0.36 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1cxr h PRO 36 Cb 1.21 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1cxr h PRO 36 CO 0.61 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 1cxr n GLY 37 N 0.92 2.70 1.14 1.56 0.00 -1.26 -4.98 105.19 105.27 1cxr n GLY 37 Ca -0.05 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 2.42 -3.10 4.61 0.00 -1.26 -4.62 120.51 115.56 1cxr n ALA 38 Ca 0.00 -1.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.00 1cxr n ALA 38 Cb 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 1.44 5.14 -2.27 0.00 -1.04 -1.26 -5.03 114.28 111.26 1cxr n THR 39 Ca 0.20 -5.79 -0.34 0.00 -2.04 0.00 0.00 64.05 56.08 1cxr n THR 39 Cb 0.59 -2.22 -0.01 0.00 -1.82 0.00 0.00 70.33 66.88 1cxr n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cxr n PRO 41 N -1.52 -1.94 -1.05 0.00 -0.04 -1.26 -4.84 135.00 124.35 1cxr n PRO 41 Ca 0.09 -1.61 -0.15 0.00 -0.04 0.00 0.00 63.50 61.80 1cxr n PRO 41 Cb 0.52 -1.27 -0.15 0.00 -0.04 0.00 0.00 33.50 32.56 1cxr n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cxr n GLY 42 N -2.98 3.17 0.57 0.55 0.00 -1.26 -3.87 105.19 101.37 1cxr n GLY 42 Ca 0.13 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1cxr n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cxr n ASP 43 N 2.49 1.24 0.01 1.61 10.43 -1.26 -4.97 116.55 126.10 1cxr n ASP 43 Ca 0.46 0.20 0.00 0.00 2.57 0.00 0.00 54.79 58.02 1cxr n ASP 43 Cb 0.85 -0.47 0.00 0.00 1.84 0.00 0.00 41.12 43.34 1cxr n ASP 43 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1cxr n TYR 44 N -3.79 -0.13 -2.96 1.24 4.01 -1.25 -4.99 117.16 109.29 1cxr n TYR 44 Ca -0.18 0.02 -0.10 0.00 -0.16 0.00 0.00 57.90 57.49 1cxr n TYR 44 Cb 0.49 0.13 0.01 0.00 -0.31 0.00 0.00 39.34 39.66 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 -2.99 -2.93 1.00 -0.72 0.00 -1.25 -5.01 120.51 108.61 1cxr n ALA 45 Ca 0.00 0.69 0.12 0.00 0.00 0.00 0.00 53.44 54.25 1cxr n ALA 45 Cb 0.30 -2.28 0.10 0.00 0.00 0.00 0.00 19.45 17.57 1cxr n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59