#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 0.66 -0.04 0.53 -5.35 -1.26 -4.52 119.36 109.38 2nsw n ILE 2 Ca 0.00 -0.32 0.15 0.00 -0.27 0.00 0.00 62.75 62.31 2nsw n ILE 2 Cb 0.00 -0.85 0.57 0.00 -1.74 0.00 0.00 39.64 37.63 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 0.00 0.23 0.00 6.28 4.11 -1.97 1.06 114.58 124.30 2nsw h GLU 3 Ca -0.26 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.16 2nsw h GLU 3 Cb 1.48 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2nsw h GLU 3 CO -0.02 0.16 0.00 -0.25 0.07 0.00 0.00 179.01 178.97 2nsw n ASP 4 N -4.45 0.00 -0.19 3.06 9.92 -1.26 -2.23 116.55 121.39 2nsw n ASP 4 Ca 0.09 -0.17 0.05 0.00 -0.53 0.00 0.00 54.79 54.23 2nsw n ASP 4 Cb 0.45 -0.22 0.07 0.00 -0.64 0.00 0.00 41.12 40.77 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 -1.22 0.00 -2.67 1.24 3.01 0.35 -5.06 117.46 113.12 2nsw n PHE 5 Ca 0.12 -0.54 -0.41 0.00 1.01 0.00 0.00 57.45 57.62 2nsw n PHE 5 Cb 0.15 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.48 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 -1.51 3.75 -0.52 1.38 5.04 -0.38 -3.39 117.35 121.72 2nsw s TYR 6 Ca 0.15 1.74 0.04 0.00 -2.44 0.00 0.00 57.07 56.56 2nsw s TYR 6 Cb 0.14 -3.12 0.13 0.00 0.35 0.00 0.00 41.96 39.46 2nsw s TYR 6 CO 0.01 -0.04 0.27 0.95 -1.34 0.00 0.00 175.55 175.41 2nsw s THR 7 N -0.04 2.39 -1.04 4.34 -4.23 0.56 -4.91 115.64 112.71 2nsw s THR 7 Ca 0.48 -3.26 0.11 0.00 -1.18 0.00 0.00 61.69 57.84 2nsw s THR 7 Cb -0.25 -2.65 0.10 0.00 1.34 0.00 0.00 72.50 71.03 2nsw s THR 7 CO 0.31 -0.83 1.34 -0.24 -0.54 0.00 0.00 174.62 174.65 2nsw n SER 8 N 3.10 0.00 0.02 3.99 2.88 -1.26 -0.16 113.62 122.18 2nsw n SER 8 Ca 0.07 0.47 -0.13 0.00 -1.33 0.00 0.00 58.87 57.95 2nsw n SER 8 Cb 0.33 -0.48 -0.09 0.00 -0.75 0.00 0.00 64.21 63.21 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 -0.06 0.00 -1.46 4.81 -1.91 -3.33 114.58 112.64 2nsw h GLU 9 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 2nsw h GLU 9 Cb 0.18 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 2nsw h GLU 9 CO 0.00 0.35 -1.89 -2.37 -0.73 0.00 0.00 179.01 174.37 2nsw n THR 10 N -4.92 1.38 -1.99 0.32 5.66 -1.06 -4.91 114.28 108.76 2nsw n THR 10 Ca -0.08 -0.78 -0.41 0.00 -3.05 0.00 0.00 64.05 59.72 2nsw n THR 10 Cb 0.23 -0.74 -0.02 0.00 -1.55 0.00 0.00 70.33 68.25 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 1.44 0.43 -4.36 0.00 -0.04 -1.26 -4.73 135.00 126.48 2nsw n PRO 12 Ca 0.03 0.05 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 2nsw n PRO 12 Cb 0.40 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.42 1.88 -0.01 0.54 2.02 -1.26 -5.02 117.35 113.07 2nsw s TYR 13 Ca 0.25 -0.41 0.20 0.00 -0.37 0.00 0.00 57.07 56.75 2nsw s TYR 13 Cb 0.16 -1.04 0.34 0.00 -0.40 0.00 0.00 41.96 41.01 2nsw s TYR 13 CO 0.33 0.21 1.13 0.36 -1.57 0.00 0.00 175.55 176.01 2nsw n LYS 14 N 1.17 0.05 -0.08 -0.62 0.00 -1.26 -4.60 118.16 112.82 2nsw n LYS 14 Ca -0.19 -1.82 -0.22 0.00 -0.00 0.00 0.00 58.31 56.08 2nsw n LYS 14 Cb 0.53 -0.16 -0.12 0.00 -0.00 0.00 0.00 35.03 35.28 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 0.33 2.00 -3.52 -5.58 2.85 -1.26 -5.04 115.26 105.05 2nsw n ASN 15 Ca 0.05 0.17 -0.11 0.00 -0.11 0.00 0.00 54.58 54.58 2nsw n ASN 15 Cb 1.04 -0.74 -0.04 0.00 1.24 0.00 0.00 39.78 41.28 2nsw n ASN 15 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2nsw s ASP 16 N -6.94 -0.45 0.20 1.20 1.11 -1.26 -5.02 116.67 105.52 2nsw s ASP 16 Ca -0.30 0.26 0.02 0.00 0.18 0.00 0.00 52.55 52.70 2nsw s ASP 16 Cb 0.09 0.41 0.14 0.00 1.07 0.00 0.00 42.92 44.63 2nsw s ASP 16 CO 0.63 -0.57 1.49 0.77 1.18 0.00 0.00 175.17 178.67 2nsw h SER 17 N 2.36 0.37 0.86 0.27 4.64 -1.95 -2.92 113.55 117.18 2nsw h SER 17 Ca -0.23 -0.23 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 2nsw h SER 17 Cb 1.21 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2nsw h SER 17 CO 0.33 0.94 -0.45 1.56 -0.87 0.00 0.00 176.83 178.34 2nsw h GLN 18 N 0.22 0.00 0.65 4.77 4.20 -1.97 -2.15 115.11 120.83 2nsw h GLN 18 Ca -0.02 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2nsw h GLN 18 Cb 1.23 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.02 2nsw h GLN 18 CO 0.11 0.45 -0.31 1.25 -0.67 0.00 0.00 178.83 179.66 2nsw h LEU 19 N 0.00 -0.74 -1.47 1.46 7.12 -1.91 1.21 115.31 120.98 2nsw h LEU 19 Ca -0.00 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 2nsw h LEU 19 Cb 1.00 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.30 2nsw h LEU 19 CO 0.06 -0.44 0.21 0.00 -0.13 0.00 0.00 178.44 178.14 2nsw h ALA 20 N -0.75 1.60 -0.32 1.25 0.00 -1.56 -0.57 119.26 118.91 2nsw h ALA 20 Ca -0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2nsw h ALA 20 Cb 0.71 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2nsw h ALA 20 CO 0.15 0.33 -0.12 2.35 0.00 0.00 0.00 179.25 181.96 2nsw h TRP 21 N 0.57 0.73 0.00 0.00 2.91 -1.10 -1.59 115.95 117.48 2nsw h TRP 21 Ca 0.15 -0.17 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2nsw h TRP 21 Cb 0.04 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.52 2nsw h TRP 21 CO 0.00 0.85 0.00 -0.25 -1.03 0.00 0.00 178.44 178.01 2nsw n ASP 22 N -4.40 0.53 -0.06 2.65 9.92 0.41 0.50 116.55 126.10 2nsw n ASP 22 Ca -0.03 0.68 -0.03 0.00 -0.53 0.00 0.00 54.79 54.88 2nsw n ASP 22 Cb 0.36 -0.77 -0.03 0.00 -0.64 0.00 0.00 41.12 40.05 2nsw n ASP 22 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2nsw h THR 23 N 0.00 0.35 0.00 -3.53 2.02 -0.19 -3.29 112.91 108.27 2nsw h THR 23 Ca 0.00 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.91 2nsw h THR 23 Cb 0.19 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2nsw h THR 23 CO 0.00 0.12 -0.06 0.00 0.37 0.00 0.00 175.52 175.95 2nsw n SER 25 N -2.59 5.94 0.00 0.00 3.41 0.18 -3.61 113.62 116.95 2nsw n SER 25 Ca -0.01 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 2nsw n SER 25 Cb 0.03 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.54 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 2.65 0.28 0.00 5.00 0.00 -0.84 -4.33 105.19 107.96 2nsw n GLY 26 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.18 3.07 0.59 -0.02 0.00 -1.24 -4.96 105.19 102.44 2nsw n GLY 27 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.08 2.61 -2.24 -1.26 -4.38 114.28 108.93 2nsw n THR 28 Ca 0.00 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2nsw n THR 28 Cb 0.00 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 1.91 0.79 2.20 3.38 0.00 -1.25 -4.05 105.19 108.18 2nsw n GLY 29 Ca -0.01 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 2.03 6.27 -4.67 1.61 0.23 -1.21 -5.00 115.26 114.51 2nsw n ASN 30 Ca 0.00 -3.75 -0.45 0.00 -0.53 0.00 0.00 54.58 49.85 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 2.40 -0.79 0.11 0.00 0.00 -1.26 -4.99 105.19 100.67 2nsw n GLY 32 Ca 0.13 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.03 0.00 0.08 2.61 -1.04 -1.26 -3.43 114.28 111.22 2nsw n THR 33 Ca 0.00 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.05 61.81 2nsw n THR 33 Cb 0.00 -0.05 -0.14 0.00 -1.82 0.00 0.00 70.33 68.32 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 0.56 1.43 0.00 12.58 2.07 -1.94 -3.08 116.25 127.87 2nsw h VAL 34 Ca 0.00 -3.05 0.00 0.00 0.82 0.00 0.00 66.70 64.47 2nsw h VAL 34 Cb 0.39 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 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 -0.74 3.93 0.00 0.00 0.00 -1.17 -2.64 105.19 104.57 2nsw n GLY 37 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 0.83 1.83 0.00 1.61 7.27 -1.14 -4.90 117.38 122.87 2nsw n GLN 38 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.42 2nsw n GLN 38 Cb 0.60 -0.97 0.00 0.00 2.41 0.00 0.00 30.24 32.27 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 -1.81 1.69 0.05 0.00 0.40 -1.08 0.21 117.98 117.43 2nsw s PHE 40 Ca 0.00 -0.88 -0.00 0.00 -0.60 0.00 0.00 56.93 55.45 2nsw s PHE 40 Cb 0.00 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 2nsw s PHE 40 CO 0.00 -0.28 -0.04 -1.54 0.70 0.00 0.00 175.22 174.07 2nsw s SER 41 N -4.17 0.55 0.77 1.36 1.04 -1.22 -3.72 113.70 108.32 2nsw s SER 41 Ca 0.26 -0.91 -0.15 0.00 0.48 0.00 0.00 55.95 55.63 2nsw s SER 41 Cb -0.01 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.28 2nsw s SER 41 CO 0.16 -0.52 0.79 0.33 0.98 0.00 0.00 173.24 174.97 2nsw n PHE 42 N 0.37 -0.01 1.50 5.02 7.35 -1.26 -0.05 117.46 130.39 2nsw n PHE 42 Ca -0.16 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 0.16 0.00 0.35 0.00 0.00 39.48 38.59 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 -1.73 0.75 -0.07 -7.13 -0.04 -1.26 -4.65 135.00 120.87 2nsw n PRO 43 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2nsw n PRO 43 Cb 0.50 -1.11 0.01 0.00 -0.04 0.00 0.00 33.50 32.86 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 1.28 0.00 0.52 2.07 -0.84 -2.55 116.25 116.73 2nsw h VAL 44 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 2nsw h VAL 44 Cb 0.00 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2nsw h VAL 44 CO 0.00 0.54 0.34 -1.28 0.02 0.00 0.00 177.57 177.19 2nsw h SER 45 N 0.64 0.00 1.04 0.57 0.87 -1.44 1.47 113.55 116.69 2nsw h SER 45 Ca 0.04 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.47 2nsw h SER 45 Cb 1.04 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2nsw h SER 45 CO 0.10 0.00 -1.02 -0.61 -0.53 0.00 0.00 176.83 174.77 2nsw h GLN 46 N 0.00 0.00 -0.03 2.24 4.15 -1.75 -3.32 115.11 116.40 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 0.68 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.38 2nsw h GLN 46 CO 0.00 0.31 -0.93 0.77 -1.93 0.00 0.00 178.83 177.05 2nsw h SER 47 N 0.00 0.73 0.28 -0.69 0.02 0.20 -2.39 113.55 111.69 2nsw h SER 47 Ca -0.09 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.31 2nsw h SER 47 Cb 1.43 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 2nsw h SER 47 CO 0.05 1.35 -0.36 0.00 -1.14 0.00 0.00 176.83 176.72 2nsw h ALA 49 N -1.07 1.00 0.00 0.00 0.00 -1.66 0.21 119.26 117.74 2nsw h ALA 49 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2nsw h ALA 49 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2nsw h ALA 49 CO -0.09 0.00 -0.21 0.78 0.00 0.00 0.00 179.25 179.73 2nsw h GLY 50 N 0.11 0.00 -1.22 0.00 0.00 -0.05 -3.33 103.07 98.57 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 -4.66 1.77 -0.44 4.80 1.56 0.62 -3.80 117.12 116.96 2nsw n MET 51 Ca -0.08 -0.79 0.01 0.00 -0.27 0.00 0.00 57.70 56.57 2nsw n MET 51 Cb 0.27 -1.44 0.17 0.00 2.15 0.00 0.00 33.22 34.38 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 0.13 3.27 -1.57 -5.12 0.00 0.68 -3.53 120.51 114.37 2nsw n ALA 52 Ca 0.07 -0.96 0.04 0.00 0.00 0.00 0.00 53.44 52.59 2nsw n ALA 52 Cb 0.34 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 0.21 -8.37 0.00 0.00 8.00 -1.25 -4.57 116.55 110.57 2nsw n ASP 53 Ca 0.15 1.79 0.00 0.00 0.71 0.00 0.00 54.79 57.45 2nsw n ASP 53 Cb 0.75 -5.15 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 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 -3.07 0.00 0.02 -2.24 7.64 -1.26 -4.63 113.62 110.08 2nsw n SER 54 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.97 2nsw n SER 54 Cb 0.54 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.94 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 -0.58 0.57 0.11 6.43 5.15 -1.26 -3.68 115.26 122.00 2nsw n ASN 55 Ca 0.00 -0.17 -0.04 0.00 -0.60 0.00 0.00 54.58 53.77 2nsw n ASN 55 Cb 0.00 0.31 0.07 0.00 -0.53 0.00 0.00 39.78 39.64 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 0.00 0.03 -4.31 1.20 3.58 -1.94 -3.45 116.42 111.54 2nsw h ASP 56 Ca 0.00 -0.03 -0.46 0.00 0.42 0.00 0.00 57.03 56.96 2nsw h ASP 56 Cb 0.59 -0.01 0.09 0.00 1.72 0.00 0.00 39.33 41.72 2nsw h ASP 56 CO 0.00 0.76 0.35 0.00 -2.88 0.00 0.00 179.24 177.47 2nsw n PRO 58 N -3.20 2.32 0.00 0.00 -0.04 -1.26 -4.80 135.00 128.02 2nsw n PRO 58 Ca 0.08 -1.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 2nsw n PRO 58 Cb 0.61 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2nsw n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2nsw n ASN 59 N 3.48 0.00 0.00 3.54 2.85 -1.26 -5.17 115.26 118.70 2nsw n ASN 59 Ca 0.50 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.97 2nsw n ASN 59 Cb 0.35 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.37 2nsw n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15