#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 1.40 0.06 1.09 2.01 -1.26 -0.56 115.64 118.38 1cxr s THR 2 Ca 0.00 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1cxr s THR 2 Cb 0.00 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1cxr s THR 2 CO 0.00 0.43 0.21 0.00 -0.69 0.00 0.00 174.62 174.57 1cxr h PRO 5 N 6.14 0.00 -3.59 0.00 0.13 -1.90 -3.34 132.00 129.44 1cxr h PRO 5 Ca -0.24 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.66 1cxr h PRO 5 Cb 1.21 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.05 1cxr h PRO 5 CO 0.51 0.46 -0.68 -1.54 -0.23 0.00 0.00 178.00 176.52 1cxr s SER 6 N -6.47 -0.03 0.53 1.44 1.04 -1.26 -4.79 113.70 104.16 1cxr s SER 6 Ca 0.01 0.09 0.32 0.00 0.48 0.00 0.00 55.95 56.85 1cxr s SER 6 Cb 0.10 0.06 1.25 0.00 0.10 0.00 0.00 66.02 67.53 1cxr s SER 6 CO 0.71 -0.04 1.94 -0.29 0.98 0.00 0.00 173.24 176.54 1cxr h ILE 7 N 5.34 0.00 -0.70 -1.02 2.10 -1.86 -2.67 117.51 118.71 1cxr h ILE 7 Ca -0.29 -0.55 0.01 0.00 1.08 0.00 0.00 64.86 65.12 1cxr h ILE 7 Cb 1.19 1.54 -0.04 0.00 -1.09 0.00 0.00 36.82 38.42 1cxr h ILE 7 CO 0.48 0.00 0.46 0.58 -1.08 0.00 0.00 178.15 178.59 1cxr h VAL 8 N 0.00 1.16 0.04 2.19 2.07 -1.97 -0.89 116.25 118.84 1cxr h VAL 8 Ca 0.00 -0.32 -0.22 0.00 0.82 0.00 0.00 66.70 66.98 1cxr h VAL 8 Cb 0.56 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1cxr h VAL 8 CO 0.00 0.17 -1.00 0.00 0.02 0.00 0.00 177.57 176.75 1cxr h ALA 9 N 1.57 0.37 -0.02 1.67 0.00 -1.83 -3.11 119.26 117.91 1cxr h ALA 9 Ca 0.26 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1cxr h ALA 9 Cb -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1cxr h ALA 9 CO -0.06 1.03 0.02 -0.09 0.00 0.00 0.00 179.25 180.14 1cxr h ARG 10 N 0.06 0.00 -0.49 0.00 9.65 -1.11 -0.44 114.38 122.05 1cxr h ARG 10 Ca -0.06 0.00 0.14 0.00 -1.10 0.00 0.00 59.98 58.96 1cxr h ARG 10 Cb 1.70 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.26 1cxr h ARG 10 CO 0.15 0.00 0.35 0.77 2.80 0.00 0.00 179.97 184.04 1cxr h SER 11 N 0.00 0.01 0.40 -3.80 0.02 -1.30 0.16 113.55 109.04 1cxr h SER 11 Ca 0.01 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.64 1cxr h SER 11 Cb 0.04 -0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.61 1cxr h SER 11 CO -0.00 0.01 -1.41 0.78 -1.14 0.00 0.00 176.83 175.07 1cxr h ASN 12 N 0.01 0.70 0.33 3.07 4.21 -1.27 -3.20 115.58 119.44 1cxr h ASN 12 Ca 0.23 -0.75 -0.01 0.00 1.21 0.00 0.00 56.30 56.99 1cxr h ASN 12 Cb 0.91 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.88 1cxr h ASN 12 CO -0.01 1.59 -0.03 0.15 -1.29 0.00 0.00 177.43 177.84 1cxr h PHE 13 N 0.12 0.00 0.00 1.19 3.57 -0.72 -1.16 116.94 119.94 1cxr h PHE 13 Ca -0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 1cxr h PHE 13 Cb 2.10 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.84 1cxr h PHE 13 CO 0.11 0.03 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.24 1cxr h ASN 14 N 0.00 0.00 -0.47 0.41 2.35 -1.11 0.21 115.58 116.97 1cxr h ASN 14 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1cxr h ASN 14 Cb 0.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1cxr h ASN 14 CO 0.00 0.06 -0.05 0.58 -1.65 0.00 0.00 177.43 176.38 1cxr h VAL 15 N 0.00 1.26 0.05 2.81 2.07 -1.37 0.93 116.25 122.00 1cxr h VAL 15 Ca -0.00 -1.14 -0.25 0.00 0.82 0.00 0.00 66.70 66.13 1cxr h VAL 15 Cb 0.12 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1cxr h VAL 15 CO 0.01 0.40 -1.07 0.00 0.02 0.00 0.00 177.57 176.93 1cxr h ARG 17 N 0.22 1.24 -7.36 0.00 9.65 -0.33 -3.39 114.38 114.41 1cxr h ARG 17 Ca -0.11 -0.14 -0.48 0.00 -1.10 0.00 0.00 59.98 58.15 1cxr h ARG 17 Cb 1.73 -0.24 0.14 0.00 -1.39 0.00 0.00 29.97 30.21 1cxr h ARG 17 CO 0.19 0.90 0.25 -0.51 2.80 0.00 0.00 179.97 183.60 1cxr s LEU 18 N -9.90 2.15 -1.12 3.80 1.02 0.29 -4.87 118.68 110.05 1cxr s LEU 18 Ca -0.12 1.38 -0.19 0.00 0.02 0.00 0.00 54.13 55.22 1cxr s LEU 18 Cb 0.17 -3.77 -0.05 0.00 0.02 0.00 0.00 46.19 42.56 1cxr s LEU 18 CO 0.83 -2.66 2.03 -0.81 0.02 0.00 0.00 176.35 175.76 1cxr n PRO 19 N -3.88 2.19 0.07 1.29 -0.04 -1.26 -3.75 135.00 129.61 1cxr n PRO 19 Ca 0.07 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1cxr n PRO 19 Cb 0.56 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 4.56 -0.38 3.03 0.55 0.00 -1.26 -5.10 105.19 106.59 1cxr n GLY 20 Ca 0.50 0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.88-10.03 0.00 2.61 -1.04 -1.24 -5.00 114.28 96.70 1cxr n THR 21 Ca 0.00 0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1cxr n THR 21 Cb 0.00 -6.79 0.00 0.00 -1.82 0.00 0.00 70.33 61.72 1cxr n THR 21 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1cxr n SER 22 N -1.21 0.00 -0.12 8.00 2.88 -1.26 -4.32 113.62 117.59 1cxr n SER 22 Ca 0.03 0.29 0.12 0.00 -1.33 0.00 0.00 58.87 57.99 1cxr n SER 22 Cb 0.50 -0.10 0.32 0.00 -0.75 0.00 0.00 64.21 64.18 1cxr n SER 22 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1cxr n GLU 23 N -0.79 0.41 0.00 -1.46 -0.58 -1.26 -4.95 120.64 112.01 1cxr n GLU 23 Ca 0.00 -0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 1cxr n GLU 23 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 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 -1.08 0.00 -2.79 0.62 0.00 -1.26 -4.60 120.51 111.40 1cxr n ALA 24 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.09 1cxr n ALA 24 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 4.31 0.02 0.00 -0.00 -1.26 -4.72 119.36 117.70 1cxr n ILE 25 Ca 0.00 -4.67 0.00 0.00 -0.00 0.00 0.00 62.75 58.08 1cxr n ILE 25 Cb 0.00 -2.43 0.18 0.00 -0.00 0.00 0.00 39.64 37.39 1cxr n ILE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1cxr n ALA 27 N 0.19 0.00 0.30 0.00 0.00 -1.26 -3.70 120.51 116.04 1cxr n ALA 27 Ca 0.17 -0.01 0.19 0.00 0.00 0.00 0.00 53.44 53.80 1cxr n ALA 27 Cb 0.80 0.00 0.89 0.00 0.00 0.00 0.00 19.45 21.14 1cxr n ALA 27 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1cxr h THR 28 N 0.00 0.01 0.00 0.00 1.35 -1.59 0.44 112.91 113.11 1cxr h THR 28 Ca 0.00 -0.32 -0.13 0.00 -0.55 0.00 0.00 66.41 65.41 1cxr h THR 28 Cb 0.00 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 1cxr h THR 28 CO 0.00 0.00 -0.63 0.22 -0.25 0.00 0.00 175.52 174.86 1cxr h TYR 29 N 0.00 0.00 0.00 4.73 3.20 -1.78 -3.22 116.97 119.89 1cxr h TYR 29 Ca -0.00 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.62 1cxr h TYR 29 Cb 0.32 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 1cxr h TYR 29 CO 0.00 0.63 -2.26 -2.37 -1.64 0.00 0.00 178.16 172.52 1cxr n THR 30 N -3.78 0.93 0.00 1.81 5.66 -0.70 -5.00 114.28 113.20 1cxr n THR 30 Ca -0.01 -0.74 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 1cxr n THR 30 Cb 0.63 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 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 1.59 1.69 3.49 1.09 0.00 0.11 -4.92 105.19 108.24 1cxr n GLY 31 Ca -0.23 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.45 1.44 -0.14 0.00 -0.00 0.44 -1.99 121.20 118.49 1cxr s ILE 33 Ca 0.62 -1.54 -0.08 0.00 -0.00 0.00 0.00 60.65 59.65 1cxr s ILE 33 Cb -0.21 -1.42 -0.04 0.00 -0.00 0.00 0.00 42.46 40.79 1cxr s ILE 33 CO 0.64 -0.21 0.14 -0.63 -0.00 0.00 0.00 174.94 174.87 1cxr s ILE 34 N -1.49 5.48 0.12 8.37 1.01 -1.26 -0.49 121.20 132.93 1cxr s ILE 34 Ca 0.05 0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.98 1cxr s ILE 34 Cb -0.09 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1cxr s ILE 34 CO 0.04 0.57 -0.17 0.27 0.00 0.00 0.00 174.94 175.64 1cxr s ILE 35 N -0.61 1.52 -0.08 2.92 -4.36 0.28 -4.96 121.20 115.91 1cxr s ILE 35 Ca 0.13 -1.63 -0.24 0.00 -0.26 0.00 0.00 60.65 58.65 1cxr s ILE 35 Cb -0.12 -1.52 -0.19 0.00 1.25 0.00 0.00 42.46 41.88 1cxr s ILE 35 CO 0.02 -0.24 0.88 1.55 0.24 0.00 0.00 174.94 177.38 1cxr h PRO 36 N 3.78 -0.07 0.00 0.37 0.13 -1.95 -0.87 132.00 133.39 1cxr h PRO 36 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1cxr h PRO 36 Cb 1.19 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1cxr h PRO 36 CO 0.45 0.54 0.00 0.41 -0.23 0.00 0.00 178.00 179.17 1cxr n GLY 37 N 0.93 1.29 0.07 1.56 0.00 -1.26 -4.25 105.19 103.54 1cxr n GLY 37 Ca -0.08 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.39 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 2.18 -3.31 4.61 0.00 -1.26 -3.48 120.51 116.24 1cxr n ALA 38 Ca 0.00 -2.20 -0.46 0.00 0.00 0.00 0.00 53.44 50.78 1cxr n ALA 38 Cb 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.33 5.23 0.54 0.00 2.01 -1.26 -5.06 115.64 114.77 1cxr s THR 39 Ca 0.24 -1.55 -0.19 0.00 0.31 0.00 0.00 61.69 60.50 1cxr s THR 39 Cb 0.21 -4.35 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 1cxr s THR 39 CO 0.02 -0.88 1.08 0.00 -0.69 0.00 0.00 174.62 174.15 1cxr n PRO 41 N -1.37 2.28 0.00 0.00 -0.04 -1.26 -4.75 135.00 129.86 1cxr n PRO 41 Ca 0.10 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1cxr n PRO 41 Cb 0.52 -2.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 4.18 0.11 0.00 0.55 0.00 -1.26 -4.82 105.19 103.95 1cxr n GLY 42 Ca 0.53 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 0.00 -4.20 1.61 9.92 -1.26 -4.89 116.55 117.73 1cxr n ASP 43 Ca 0.00 0.43 -0.32 0.00 -0.53 0.00 0.00 54.79 54.37 1cxr n ASP 43 Cb 0.00 -0.35 -0.08 0.00 -0.64 0.00 0.00 41.12 40.04 1cxr n ASP 43 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1cxr n TYR 44 N -1.56 -1.11 -2.72 1.24 4.02 -1.26 -4.78 117.16 110.99 1cxr n TYR 44 Ca 0.00 0.58 -0.43 0.00 -0.01 0.00 0.00 57.90 58.04 1cxr n TYR 44 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 39.34 37.09 1cxr n TYR 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1cxr n ALA 45 N -4.08 4.09 -1.00 -0.72 0.00 -1.26 -4.16 120.51 113.38 1cxr n ALA 45 Ca -0.15 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.14 1cxr n ALA 45 Cb 0.55 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.81 1cxr n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59