#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 0.73 0.00 0.53 -5.35 -1.26 -4.48 119.36 109.53 2nsw n ILE 2 Ca 0.00 -0.38 0.22 0.00 -0.27 0.00 0.00 62.75 62.31 2nsw n ILE 2 Cb 0.00 -0.82 0.72 0.00 -1.74 0.00 0.00 39.64 37.80 2nsw n ILE 2 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2nsw h GLU 3 N 0.00 0.00 0.00 6.28 4.22 -1.97 1.60 114.58 124.71 2nsw h GLU 3 Ca -0.29 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.15 2nsw h GLU 3 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2nsw h GLU 3 CO -0.01 0.00 0.00 -0.25 -2.18 0.00 0.00 179.01 176.57 2nsw n ASP 4 N -4.17 0.24 -0.07 1.04 9.92 -1.26 -2.42 116.55 119.84 2nsw n ASP 4 Ca 0.10 0.54 0.08 0.00 -0.53 0.00 0.00 54.79 54.98 2nsw n ASP 4 Cb 0.66 -0.60 0.11 0.00 -0.64 0.00 0.00 41.12 40.65 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 -1.75 0.00 -2.57 1.24 3.01 0.53 -5.02 117.46 112.90 2nsw n PHE 5 Ca 0.05 -0.87 -0.43 0.00 1.01 0.00 0.00 57.45 57.21 2nsw n PHE 5 Cb 0.27 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.59 2nsw n PHE 5 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2nsw s TYR 6 N -2.41 3.23 -0.71 1.38 5.04 -0.47 -3.74 117.35 119.66 2nsw s TYR 6 Ca 0.25 1.34 -0.06 0.00 -2.44 0.00 0.00 57.07 56.16 2nsw s TYR 6 Cb 0.22 -3.34 0.18 0.00 0.35 0.00 0.00 41.96 39.37 2nsw s TYR 6 CO 0.02 -0.87 0.57 0.95 -1.34 0.00 0.00 175.55 174.88 2nsw s THR 7 N 2.83 4.29 -1.99 4.34 -4.23 0.96 -4.87 115.64 116.98 2nsw s THR 7 Ca 0.50 -2.95 0.25 0.00 -1.18 0.00 0.00 61.69 58.31 2nsw s THR 7 Cb -0.19 -3.73 0.72 0.00 1.34 0.00 0.00 72.50 70.64 2nsw s THR 7 CO 0.14 -0.94 1.88 -0.24 -0.54 0.00 0.00 174.62 174.91 2nsw n SER 8 N 3.47 0.00 0.06 3.99 2.88 -1.26 -0.49 113.62 122.26 2nsw n SER 8 Ca 0.11 -0.78 -0.21 0.00 -1.33 0.00 0.00 58.87 56.66 2nsw n SER 8 Cb 0.40 -0.01 -0.12 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.55 0.00 -1.46 4.81 -1.90 -3.37 114.58 113.21 2nsw h GLU 9 Ca 0.00 -0.69 -0.11 0.00 -0.13 0.00 0.00 59.36 58.42 2nsw h GLU 9 Cb 0.01 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2nsw h GLU 9 CO 0.00 1.29 -1.75 -2.37 -0.73 0.00 0.00 179.01 175.45 2nsw n THR 10 N -3.95 0.42 -1.97 0.32 5.66 -1.15 -4.98 114.28 108.63 2nsw n THR 10 Ca -0.13 -0.43 -0.41 0.00 -3.05 0.00 0.00 64.05 60.04 2nsw n THR 10 Cb 0.88 -0.22 -0.02 0.00 -1.55 0.00 0.00 70.33 69.42 2nsw n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2nsw n PRO 12 N 1.89 0.60 -4.41 0.00 -0.04 -1.26 -4.72 135.00 127.05 2nsw n PRO 12 Ca 0.05 0.03 -0.26 0.00 -0.04 0.00 0.00 63.50 63.28 2nsw n PRO 12 Cb 0.40 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 2nsw n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2nsw s TYR 13 N -2.20 1.99 -0.03 0.54 2.02 -1.26 -5.03 117.35 113.38 2nsw s TYR 13 Ca 0.31 -0.40 0.24 0.00 -0.37 0.00 0.00 57.07 56.85 2nsw s TYR 13 Cb 0.16 -1.11 0.43 0.00 -0.40 0.00 0.00 41.96 41.04 2nsw s TYR 13 CO 0.30 0.23 1.18 0.36 -1.57 0.00 0.00 175.55 176.04 2nsw n LYS 14 N 1.18 0.23 -3.52 -0.62 -0.00 -1.26 -4.67 118.16 109.50 2nsw n LYS 14 Ca -0.19 -2.19 -0.27 0.00 -0.00 0.00 0.00 58.31 55.67 2nsw n LYS 14 Cb 0.53 -0.24 -0.09 0.00 -0.00 0.00 0.00 35.03 35.23 2nsw n LYS 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2nsw n ASN 15 N 0.26 2.49 -0.43 -5.58 3.02 -1.26 -5.01 115.26 108.74 2nsw n ASN 15 Ca 0.08 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 2nsw n ASN 15 Cb 1.08 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 2nsw n ASN 15 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2nsw n ASP 16 N 1.49 -3.17 0.32 6.41 -0.08 -1.26 -4.15 116.55 116.11 2nsw n ASP 16 Ca 0.26 0.22 0.20 0.00 -1.51 0.00 0.00 54.79 53.95 2nsw n ASP 16 Cb 0.42 -0.47 1.04 0.00 2.34 0.00 0.00 41.12 44.45 2nsw n ASP 16 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2nsw h SER 17 N 0.55 0.00 0.78 1.67 0.87 -1.94 0.51 113.55 115.99 2nsw h SER 17 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2nsw h SER 17 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2nsw h SER 17 CO 0.00 0.01 -0.28 -0.61 -0.53 0.00 0.00 176.83 175.42 2nsw h GLN 18 N 0.00 0.00 0.37 2.24 4.15 -1.97 -1.59 115.11 118.31 2nsw h GLN 18 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2nsw h GLN 18 Cb 0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.80 2nsw h GLN 18 CO 0.00 0.28 -0.18 1.25 -1.93 0.00 0.00 178.83 178.26 2nsw h LEU 19 N 0.00 -0.42 -1.83 -2.39 5.85 -1.05 1.19 115.31 116.66 2nsw h LEU 19 Ca -0.00 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2nsw h LEU 19 Cb 0.75 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2nsw h LEU 19 CO 0.04 -0.06 -0.14 0.00 -0.34 0.00 0.00 178.44 177.94 2nsw h ALA 20 N -0.37 1.56 0.02 1.25 0.00 -1.59 -0.98 119.26 119.15 2nsw h ALA 20 Ca -0.05 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 2nsw h ALA 20 Cb 0.53 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.32 2nsw h ALA 20 CO 0.08 0.17 -0.86 2.35 0.00 0.00 0.00 179.25 181.00 2nsw h TRP 21 N 0.00 0.83 0.00 0.00 2.91 -1.06 -2.58 115.95 116.04 2nsw h TRP 21 Ca -0.00 -0.46 0.00 0.00 1.13 0.00 0.00 58.89 59.56 2nsw h TRP 21 Cb 0.28 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.84 2nsw h TRP 21 CO 0.00 1.30 0.00 -0.44 -1.03 0.00 0.00 178.44 178.27 2nsw h ASP 22 N 0.12 0.00 0.00 2.65 5.19 0.24 0.65 116.42 125.27 2nsw h ASP 22 Ca -0.11 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.23 2nsw h ASP 22 Cb 1.55 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.05 2nsw h ASP 22 CO 0.17 0.00 -0.39 0.74 -3.12 0.00 0.00 179.24 176.64 2nsw h THR 23 N 0.00 1.37 0.00 0.35 2.02 -1.01 -3.29 112.91 112.35 2nsw h THR 23 Ca 0.00 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.00 2nsw h THR 23 Cb 0.19 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2nsw h THR 23 CO 0.00 0.47 0.00 0.00 0.37 0.00 0.00 175.52 176.36 2nsw n SER 25 N -1.98 5.70 0.00 0.00 3.41 0.22 -3.56 113.62 117.41 2nsw n SER 25 Ca 0.00 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 2nsw n SER 25 Cb 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 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 2.82 -0.25 0.00 5.00 0.00 -1.06 -4.44 105.19 107.26 2nsw n GLY 26 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.10 2.82 0.00 -0.02 0.00 -1.23 -4.98 105.19 101.67 2nsw n GLY 27 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.30 2.61 -2.24 -1.26 -4.15 114.28 107.93 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 1.05 0.48 2.27 3.38 0.00 -1.25 -3.72 105.19 107.41 2nsw n GLY 29 Ca 0.00 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 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 4.32 7.12 -4.70 1.61 0.23 -1.20 -4.92 115.26 117.72 2nsw n ASN 30 Ca 0.00 -3.78 -0.44 0.00 -0.53 0.00 0.00 54.58 49.83 2nsw n ASN 30 Cb 0.00 -0.86 -0.03 0.00 -2.08 0.00 0.00 39.78 36.81 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 3.27 0.41 0.09 0.00 0.00 -1.26 -4.96 105.19 102.75 2nsw n GLY 32 Ca 0.15 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.60 0.00 0.09 2.61 -1.04 -1.26 -3.46 114.28 110.62 2nsw n THR 33 Ca 0.02 -0.05 -0.16 0.00 -2.04 0.00 0.00 64.05 61.83 2nsw n THR 33 Cb 0.39 -0.05 -0.14 0.00 -1.82 0.00 0.00 70.33 68.71 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 0.44 1.44 0.00 12.58 2.07 -1.94 -3.08 116.25 127.76 2nsw h VAL 34 Ca 0.00 -3.03 0.00 0.00 0.82 0.00 0.00 66.70 64.49 2nsw h VAL 34 Cb 0.42 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2nsw h VAL 34 CO 0.00 0.88 0.00 0.00 0.02 0.00 0.00 177.57 178.47 2nsw n GLY 37 N -0.72 3.96 1.09 0.00 0.00 -1.18 -2.80 105.19 105.54 2nsw n GLY 37 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 1.27 0.00 -0.00 1.61 7.27 -1.15 -4.86 117.38 121.52 2nsw n GLN 38 Ca 0.45 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.56 2nsw n GLN 38 Cb 0.65 -0.48 -0.05 0.00 2.41 0.00 0.00 30.24 32.77 2nsw n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nsw s PHE 40 N -2.10 1.60 0.05 0.00 0.08 -1.12 -0.03 117.98 116.45 2nsw s PHE 40 Ca 0.00 -1.33 -0.03 0.00 0.12 0.00 0.00 56.93 55.69 2nsw s PHE 40 Cb 0.06 -0.88 -0.03 0.00 -0.57 0.00 0.00 43.02 41.60 2nsw s PHE 40 CO 0.34 -0.48 0.02 -1.12 -0.10 0.00 0.00 175.22 173.88 2nsw s SER 41 N -3.38 0.34 0.75 1.36 0.01 -1.25 -3.56 113.70 107.97 2nsw s SER 41 Ca 0.35 -0.78 -0.15 0.00 1.31 0.00 0.00 55.95 56.69 2nsw s SER 41 Cb 0.05 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2nsw s SER 41 CO 0.17 -0.55 0.78 0.33 0.41 0.00 0.00 173.24 174.38 2nsw n PHE 42 N 0.47 -0.00 1.50 2.43 7.35 -1.26 0.06 117.46 128.00 2nsw n PHE 42 Ca -0.17 0.36 0.03 0.00 -0.76 0.00 0.00 57.45 56.92 2nsw n PHE 42 Cb 0.60 -1.99 0.18 0.00 0.35 0.00 0.00 39.48 38.61 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 -1.61 0.75 -0.06 -7.13 -0.04 -1.26 -4.64 135.00 121.01 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 -1.13 0.03 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.77 -2.50 116.25 116.86 2nsw h VAL 44 Ca 0.00 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.90 2nsw h VAL 44 Cb 0.00 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2nsw h VAL 44 CO 0.00 0.52 0.35 -1.28 0.02 0.00 0.00 177.57 177.18 2nsw h SER 45 N 0.59 0.00 0.64 0.57 0.87 -1.41 1.20 113.55 116.02 2nsw h SER 45 Ca 0.04 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.33 2nsw h SER 45 Cb 0.99 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.91 2nsw h SER 45 CO 0.09 0.00 -1.50 -0.61 -0.53 0.00 0.00 176.83 174.28 2nsw h GLN 46 N 0.00 0.00 -0.26 2.24 5.75 -1.75 -3.32 115.11 117.77 2nsw h GLN 46 Ca 0.00 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.34 2nsw h GLN 46 Cb 0.70 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 2nsw h GLN 46 CO 0.00 0.63 -0.49 1.03 -2.65 0.00 0.00 178.83 177.35 2nsw h SER 47 N 0.00 0.77 0.10 -0.69 0.87 0.14 -1.62 113.55 113.13 2nsw h SER 47 Ca -0.20 -0.39 -0.00 0.00 -1.23 0.00 0.00 61.79 59.97 2nsw h SER 47 Cb 1.94 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.67 2nsw h SER 47 CO 0.09 1.13 -0.13 0.00 -0.53 0.00 0.00 176.83 177.39 2nsw h ALA 49 N -1.49 1.10 0.02 0.00 0.00 -1.66 0.18 119.26 117.42 2nsw h ALA 49 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2nsw h ALA 49 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2nsw h ALA 49 CO -0.03 -0.10 -0.01 0.78 0.00 0.00 0.00 179.25 179.89 2nsw h GLY 50 N 0.00 -0.03 -1.29 0.00 0.00 0.14 -3.30 103.07 98.59 2nsw h GLY 50 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2nsw h GLY 50 CO 0.00 -0.01 0.00 -0.13 0.00 0.00 0.00 176.54 176.40 2nsw n MET 51 N -4.73 1.82 -0.57 4.80 1.56 0.61 -3.86 117.12 116.75 2nsw n MET 51 Ca -0.05 -0.81 -0.05 0.00 -0.27 0.00 0.00 57.70 56.52 2nsw n MET 51 Cb 0.24 -1.47 0.15 0.00 2.15 0.00 0.00 33.22 34.28 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 0.14 3.72 -1.54 -5.12 0.00 0.55 -3.50 120.51 114.76 2nsw n ALA 52 Ca 0.07 -1.29 0.07 0.00 0.00 0.00 0.00 53.44 52.29 2nsw n ALA 52 Cb 0.37 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.04 -8.22 0.00 0.00 8.00 -1.25 -4.67 116.55 110.37 2nsw n ASP 53 Ca 0.24 1.72 0.00 0.00 0.71 0.00 0.00 54.79 57.45 2nsw n ASP 53 Cb 0.95 -5.11 0.00 0.00 -0.02 0.00 0.00 41.12 36.94 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 -3.34 0.00 -0.15 -2.24 7.64 -1.26 -4.71 113.62 109.56 2nsw n SER 54 Ca -0.04 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.90 2nsw n SER 54 Cb 0.57 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.27 1.03 0.24 6.43 5.15 -1.26 -4.29 115.26 121.29 2nsw n ASN 55 Ca 0.00 -1.02 0.14 0.00 -0.60 0.00 0.00 54.58 53.10 2nsw n ASN 55 Cb 0.00 0.74 0.44 0.00 -0.53 0.00 0.00 39.78 40.43 2nsw n ASN 55 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2nsw h ASP 56 N 0.75 0.00 -4.03 1.20 3.58 -1.92 -3.43 116.42 112.56 2nsw h ASP 56 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 2nsw h ASP 56 Cb 0.38 0.00 0.13 0.00 1.72 0.00 0.00 39.33 41.57 2nsw h ASP 56 CO 0.00 0.05 0.38 0.00 -2.88 0.00 0.00 179.24 176.79 2nsw n PRO 58 N -3.51 2.38 -4.04 0.00 -0.04 -1.26 -4.80 135.00 123.74 2nsw n PRO 58 Ca 0.13 -1.46 -0.25 0.00 -0.04 0.00 0.00 63.50 61.88 2nsw n PRO 58 Cb 0.60 -2.38 -0.05 0.00 -0.04 0.00 0.00 33.50 31.63 2nsw n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2nsw n ASN 59 N 3.53 2.88 0.00 3.54 3.02 -1.26 -5.14 115.26 121.84 2nsw n ASN 59 Ca 0.51 -2.71 0.00 0.00 -0.03 0.00 0.00 54.58 52.35 2nsw n ASN 59 Cb 0.33 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 2nsw n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64