#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nsw n ILE 2 N 0.00 1.65 -0.06 0.53 -5.35 -1.26 -4.03 119.36 110.83 2nsw n ILE 2 Ca 0.00 -0.71 0.21 0.00 -0.27 0.00 0.00 62.75 61.98 2nsw n ILE 2 Cb 0.00 -1.34 0.67 0.00 -1.74 0.00 0.00 39.64 37.23 2nsw n ILE 2 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 2nsw h GLU 3 N 0.03 0.06 0.00 6.28 -0.00 -1.96 1.53 114.58 120.52 2nsw h GLU 3 Ca -0.42 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.94 2nsw h GLU 3 Cb 2.03 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.77 2nsw h GLU 3 CO 0.05 0.04 0.00 -0.25 -0.00 0.00 0.00 179.01 178.85 2nsw n ASP 4 N -4.37 0.00 -0.10 3.06 9.92 -1.26 -2.24 116.55 121.56 2nsw n ASP 4 Ca 0.12 -0.16 0.02 0.00 -0.53 0.00 0.00 54.79 54.25 2nsw n ASP 4 Cb 0.66 -0.23 0.03 0.00 -0.64 0.00 0.00 41.12 40.95 2nsw n ASP 4 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2nsw n PHE 5 N -1.23 0.00 -2.64 1.24 3.72 0.51 -5.05 117.46 114.01 2nsw n PHE 5 Ca 0.12 -0.43 -0.42 0.00 -0.05 0.00 0.00 57.45 56.67 2nsw n PHE 5 Cb 0.15 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 2nsw n PHE 5 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2nsw s TYR 6 N -1.07 3.58 -0.55 1.38 5.04 -0.31 -3.25 117.35 122.18 2nsw s TYR 6 Ca 0.08 1.59 0.01 0.00 -2.44 0.00 0.00 57.07 56.30 2nsw s TYR 6 Cb 0.07 -3.20 0.14 0.00 0.35 0.00 0.00 41.96 39.32 2nsw s TYR 6 CO 0.01 -0.34 0.32 0.95 -1.34 0.00 0.00 175.55 175.15 2nsw s THR 7 N 1.16 3.11 -1.78 4.34 -4.23 0.47 -4.90 115.64 113.81 2nsw s THR 7 Ca 0.53 -3.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.25 2nsw s THR 7 Cb -0.23 -3.10 0.52 0.00 1.34 0.00 0.00 72.50 71.04 2nsw s THR 7 CO 0.27 -0.81 1.68 -0.24 -0.54 0.00 0.00 174.62 174.98 2nsw n SER 8 N 3.46 0.00 0.03 3.99 2.88 -1.26 -0.46 113.62 122.25 2nsw n SER 8 Ca 0.06 -0.42 -0.19 0.00 -1.33 0.00 0.00 58.87 56.98 2nsw n SER 8 Cb 0.36 -0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.59 2nsw n SER 8 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2nsw h GLU 9 N 0.00 0.49 0.00 -1.46 4.81 -1.92 -3.36 114.58 113.15 2nsw h GLU 9 Ca 0.00 -0.57 -0.20 0.00 -0.13 0.00 0.00 59.36 58.46 2nsw h GLU 9 Cb 0.08 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2nsw h GLU 9 CO 0.00 1.20 -2.06 -2.37 -0.73 0.00 0.00 179.01 175.05 2nsw n THR 10 N -4.08 0.76 -1.94 0.32 5.66 -1.12 -4.96 114.28 108.92 2nsw n THR 10 Ca -0.11 -0.62 -0.41 0.00 -3.05 0.00 0.00 64.05 59.85 2nsw n THR 10 Cb 0.77 -0.32 -0.02 0.00 -1.55 0.00 0.00 70.33 69.21 2nsw n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2nsw h PRO 12 N 4.57 0.00 -6.39 0.00 0.13 -1.88 -3.45 132.00 124.98 2nsw h PRO 12 Ca -0.47 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.14 2nsw h PRO 12 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2nsw h PRO 12 CO 0.75 0.09 -0.17 0.71 -0.23 0.00 0.00 178.00 179.15 2nsw s TYR 13 N -3.43 1.49 0.00 1.56 2.02 -1.26 -5.13 117.35 112.60 2nsw s TYR 13 Ca 0.03 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 2nsw s TYR 13 Cb 0.08 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 2nsw s TYR 13 CO 0.63 -0.91 0.00 0.36 -1.57 0.00 0.00 175.55 174.06 2nsw n LYS 14 N -2.07 0.00 0.00 -0.62 -0.00 -1.26 -4.80 118.16 109.41 2nsw n LYS 14 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2nsw n LYS 14 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.66 2nsw n LYS 14 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2nsw n ASN 15 N 0.00 0.00 -3.86 -5.58 5.15 -1.26 -4.72 115.26 104.99 2nsw n ASN 15 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 2nsw n ASN 15 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 2nsw n ASN 15 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2nsw s ASP 16 N 0.00 -0.02 0.13 1.20 1.01 -1.26 -5.05 116.67 112.69 2nsw s ASP 16 Ca 0.00 -0.69 0.09 0.00 0.71 0.00 0.00 52.55 52.66 2nsw s ASP 16 Cb 0.00 0.44 -0.17 0.00 1.01 0.00 0.00 42.92 44.20 2nsw s ASP 16 CO 0.00 -0.87 1.24 0.77 0.21 0.00 0.00 175.17 176.52 2nsw h SER 17 N 2.52 0.00 0.51 0.27 4.64 -1.95 -3.15 113.55 116.40 2nsw h SER 17 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2nsw h SER 17 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2nsw h SER 17 CO 0.49 0.92 0.00 -0.61 -0.87 0.00 0.00 176.83 176.75 2nsw h GLN 18 N 0.00 0.00 0.21 4.77 4.15 -1.96 -0.97 115.11 121.31 2nsw h GLN 18 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2nsw h GLN 18 Cb 1.73 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.42 2nsw h GLN 18 CO 0.11 0.00 -0.10 1.25 -1.93 0.00 0.00 178.83 178.16 2nsw h LEU 19 N 0.00 -0.24 -2.24 -2.39 5.85 -1.86 0.48 115.31 114.91 2nsw h LEU 19 Ca 0.00 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2nsw h LEU 19 Cb 0.25 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2nsw h LEU 19 CO 0.00 -0.01 0.05 0.00 -0.34 0.00 0.00 178.44 178.15 2nsw h ALA 20 N -1.54 1.79 -0.28 1.25 0.00 -1.66 0.12 119.26 118.93 2nsw h ALA 20 Ca -0.03 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2nsw h ALA 20 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2nsw h ALA 20 CO 0.05 -0.08 -0.51 2.35 0.00 0.00 0.00 179.25 181.06 2nsw h TRP 21 N 0.00 1.06 0.00 0.00 2.91 -1.20 -2.30 115.95 116.42 2nsw h TRP 21 Ca 0.03 -0.37 0.00 0.00 1.13 0.00 0.00 58.89 59.67 2nsw h TRP 21 Cb 0.13 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 2nsw h TRP 21 CO 0.00 1.20 0.00 0.22 -1.03 0.00 0.00 178.44 178.83 2nsw h ASP 22 N 0.62 0.00 0.14 2.65 1.82 0.15 0.67 116.42 122.48 2nsw h ASP 22 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2nsw h ASP 22 Cb 1.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.13 2nsw h ASP 22 CO 0.12 0.00 -0.07 0.74 -1.61 0.00 0.00 179.24 178.42 2nsw h THR 23 N 0.00 0.68 0.00 2.25 2.02 -0.68 -3.27 112.91 113.92 2nsw h THR 23 Ca 0.00 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.99 2nsw h THR 23 Cb 0.37 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2nsw h THR 23 CO 0.00 0.20 -0.17 0.00 0.37 0.00 0.00 175.52 175.92 2nsw n SER 25 N -2.98 5.48 0.00 0.00 3.41 0.23 -3.47 113.62 116.30 2nsw n SER 25 Ca -0.02 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 2nsw n SER 25 Cb 0.09 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 2nsw n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nsw n GLY 26 N 2.94 -0.42 0.50 5.00 0.00 -1.06 -4.29 105.19 107.85 2nsw n GLY 26 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2nsw n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nsw n GLY 27 N -0.20 2.87 0.00 -0.02 0.00 -1.23 -4.95 105.19 101.67 2nsw n GLY 27 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2nsw n GLY 27 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2nsw n THR 28 N 0.00 0.00 -1.78 2.61 -2.24 -1.26 -4.24 114.28 107.37 2nsw n THR 28 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2nsw n THR 28 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2nsw n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nsw n GLY 29 N 1.95 0.53 2.23 3.38 0.00 -1.24 -3.75 105.19 108.30 2nsw n GLY 29 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 2nsw n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nsw n ASN 30 N 3.60 6.35 -4.65 1.61 0.23 -1.18 -4.94 115.26 116.29 2nsw n ASN 30 Ca 0.00 -3.75 -0.39 0.00 -0.53 0.00 0.00 54.58 49.91 2nsw n ASN 30 Cb 0.00 -0.88 0.04 0.00 -2.08 0.00 0.00 39.78 36.85 2nsw n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2nsw n GLY 32 N 1.11 -2.11 0.09 0.00 0.00 -1.26 -4.95 105.19 98.06 2nsw n GLY 32 Ca 0.11 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 45.06 2nsw n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nsw n THR 33 N 2.01 0.00 0.05 2.61 -1.04 -1.26 -3.40 114.28 113.25 2nsw n THR 33 Ca 0.00 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.05 61.83 2nsw n THR 33 Cb 0.00 -0.08 -0.14 0.00 -1.82 0.00 0.00 70.33 68.29 2nsw n THR 33 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2nsw h VAL 34 N 0.43 1.28 0.00 12.58 2.07 -1.92 -3.18 116.25 127.51 2nsw h VAL 34 Ca 0.00 -2.97 0.00 0.00 0.82 0.00 0.00 66.70 64.55 2nsw h VAL 34 Cb 0.40 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2nsw h VAL 34 CO 0.00 0.81 0.00 0.00 0.02 0.00 0.00 177.57 178.40 2nsw n GLY 37 N -0.76 3.55 0.00 0.00 0.00 -1.17 -2.70 105.19 104.11 2nsw n GLY 37 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2nsw n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2nsw n GLN 38 N 1.37 1.68 0.00 1.61 -0.06 -1.08 -4.91 117.38 115.99 2nsw n GLN 38 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 2nsw n GLN 38 Cb 0.66 -0.99 0.00 0.00 -4.06 0.00 0.00 30.24 25.85 2nsw n GLN 38 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2nsw s PHE 40 N -1.70 1.95 0.06 0.00 0.40 -1.10 0.18 117.98 117.77 2nsw s PHE 40 Ca 0.00 -0.75 -0.01 0.00 -0.60 0.00 0.00 56.93 55.58 2nsw s PHE 40 Cb 0.00 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.53 2nsw s PHE 40 CO 0.00 -0.31 -0.04 -1.54 0.70 0.00 0.00 175.22 174.03 2nsw s SER 41 N -4.20 0.57 0.75 1.36 1.04 -1.20 -3.74 113.70 108.28 2nsw s SER 41 Ca 0.37 -0.97 -0.15 0.00 0.48 0.00 0.00 55.95 55.68 2nsw s SER 41 Cb -0.01 0.18 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 2nsw s SER 41 CO 0.22 -0.56 0.75 0.33 0.98 0.00 0.00 173.24 174.97 2nsw n PHE 42 N 0.19 -0.09 1.50 5.02 7.35 -1.26 -0.03 117.46 130.15 2nsw n PHE 42 Ca -0.14 0.36 0.04 0.00 -0.76 0.00 0.00 57.45 56.95 2nsw n PHE 42 Cb 0.61 -1.99 0.26 0.00 0.35 0.00 0.00 39.48 38.71 2nsw n PHE 42 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2nsw n PRO 43 N -1.49 0.75 -0.05 -7.13 -0.04 -1.26 -4.63 135.00 121.14 2nsw n PRO 43 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 2nsw n PRO 43 Cb 0.50 -1.18 0.03 0.00 -0.04 0.00 0.00 33.50 32.81 2nsw n PRO 43 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2nsw h VAL 44 N 0.00 1.29 0.00 0.52 2.07 -0.85 -2.50 116.25 116.78 2nsw h VAL 44 Ca 0.00 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2nsw h VAL 44 Cb 0.00 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2nsw h VAL 44 CO 0.00 0.53 0.35 -1.28 0.02 0.00 0.00 177.57 177.19 2nsw h SER 45 N 0.59 0.00 1.02 0.57 0.87 -1.35 1.51 113.55 116.76 2nsw h SER 45 Ca 0.04 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.49 2nsw h SER 45 Cb 1.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 2nsw h SER 45 CO 0.09 0.00 -1.04 -0.61 -0.53 0.00 0.00 176.83 174.75 2nsw h GLN 46 N 0.00 0.00 -0.02 2.24 4.15 -1.74 -3.33 115.11 116.41 2nsw h GLN 46 Ca 0.00 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.18 2nsw h GLN 46 Cb 0.70 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.40 2nsw h GLN 46 CO 0.00 0.26 -0.96 0.77 -1.93 0.00 0.00 178.83 176.97 2nsw h SER 47 N 0.00 0.74 0.24 -0.69 0.02 0.21 -2.42 113.55 111.65 2nsw h SER 47 Ca -0.08 -0.58 -0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2nsw h SER 47 Cb 1.38 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2nsw h SER 47 CO 0.04 1.37 -0.34 0.00 -1.14 0.00 0.00 176.83 176.77 2nsw h ALA 49 N -1.09 1.00 0.00 0.00 0.00 -1.66 0.13 119.26 117.63 2nsw h ALA 49 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2nsw h ALA 49 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2nsw h ALA 49 CO -0.09 0.00 -0.25 0.78 0.00 0.00 0.00 179.25 179.68 2nsw h GLY 50 N 0.12 0.00 -1.03 0.00 0.00 -0.03 -3.33 103.07 98.80 2nsw h GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2nsw h GLY 50 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.54 176.41 2nsw n MET 51 N -4.63 1.65 -0.81 4.80 1.56 0.56 -4.00 117.12 116.26 2nsw n MET 51 Ca -0.11 -0.75 -0.16 0.00 -0.27 0.00 0.00 57.70 56.41 2nsw n MET 51 Cb 0.37 -1.33 0.07 0.00 2.15 0.00 0.00 33.22 34.48 2nsw n MET 51 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2nsw n ALA 52 N 0.11 4.73 -1.35 -5.12 0.00 0.39 -3.59 120.51 115.68 2nsw n ALA 52 Ca 0.07 -1.72 0.16 0.00 0.00 0.00 0.00 53.44 51.94 2nsw n ALA 52 Cb 0.27 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 2nsw n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2nsw n ASP 53 N -0.09 -7.06 0.00 0.00 8.00 -1.26 -4.65 116.55 111.49 2nsw n ASP 53 Ca 0.33 1.23 0.00 0.00 0.71 0.00 0.00 54.79 57.06 2nsw n ASP 53 Cb 0.86 -4.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 2nsw n ASP 53 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2nsw n SER 54 N -4.24 0.00 -0.06 -2.24 7.64 -1.26 -4.78 113.62 108.68 2nsw n SER 54 Ca -0.08 0.01 0.02 0.00 1.01 0.00 0.00 58.87 59.84 2nsw n SER 54 Cb 0.62 -0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 2nsw n SER 54 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2nsw n ASN 55 N -1.54 0.56 0.16 6.43 2.85 -1.26 -4.45 115.26 118.00 2nsw n ASN 55 Ca 0.00 -0.78 0.13 0.00 -0.11 0.00 0.00 54.58 53.82 2nsw n ASN 55 Cb 0.00 0.73 0.46 0.00 1.24 0.00 0.00 39.78 42.21 2nsw n ASN 55 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2nsw h ASP 56 N 0.29 0.00 -3.92 1.20 3.58 -1.92 -3.44 116.42 112.20 2nsw h ASP 56 Ca 0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 2nsw h ASP 56 Cb 0.14 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 2nsw h ASP 56 CO 0.00 0.00 0.23 0.00 -2.88 0.00 0.00 179.24 176.59 2nsw n PRO 58 N -1.14 2.25 -3.23 0.00 -0.04 -1.26 -4.87 135.00 126.71 2nsw n PRO 58 Ca 0.05 -1.35 -0.22 0.00 -0.04 0.00 0.00 63.50 61.94 2nsw n PRO 58 Cb 0.54 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 2nsw n PRO 58 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2nsw s ASN 59 N 2.62 5.98 0.00 3.54 0.01 -1.26 -5.09 114.94 120.74 2nsw s ASN 59 Ca 0.52 0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.86 2nsw s ASN 59 Cb 0.18 -1.58 0.00 0.00 0.41 0.00 0.00 41.25 40.26 2nsw s ASN 59 CO -0.03 -0.52 0.00 0.00 -1.51 0.00 0.00 177.10 175.04