#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 1.47 0.08 0.53 -5.35 -1.26 -4.15 119.36 110.68 2nsw n ILE 2 Ca 0.00 -0.80 0.17 0.00 -0.27 0.00 0.00 62.75 61.85 2nsw n ILE 2 Cb 0.00 -0.78 0.70 0.00 -1.74 0.00 0.00 39.64 37.82 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 4.81 -1.97 1.09 114.58 124.80 2nsw h GLU 3 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2nsw h GLU 3 Cb 2.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.52 2nsw h GLU 3 CO 0.03 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.06 2nsw n ASP 4 N -4.32 0.00 -0.15 1.04 9.92 -1.26 -2.27 116.55 119.52 2nsw n ASP 4 Ca 0.06 -0.04 0.04 0.00 -0.53 0.00 0.00 54.79 54.33 2nsw n ASP 4 Cb 0.47 -0.28 0.06 0.00 -0.64 0.00 0.00 41.12 40.73 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 -1.28 0.00 -2.66 1.24 3.01 0.37 -5.05 117.46 113.09 2nsw n PHE 5 Ca 0.10 -0.55 -0.42 0.00 1.01 0.00 0.00 57.45 57.60 2nsw n PHE 5 Cb 0.17 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 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 -1.48 3.69 -0.52 1.38 5.04 -0.58 -3.31 117.35 121.56 2nsw s TYR 6 Ca 0.14 1.68 0.04 0.00 -2.44 0.00 0.00 57.07 56.49 2nsw s TYR 6 Cb 0.12 -3.15 0.13 0.00 0.35 0.00 0.00 41.96 39.42 2nsw s TYR 6 CO 0.01 -0.14 0.27 0.95 -1.34 0.00 0.00 175.55 175.30 2nsw s THR 7 N 0.46 2.42 -1.16 4.34 -4.23 0.52 -4.91 115.64 113.08 2nsw s THR 7 Ca 0.50 -3.27 0.11 0.00 -1.18 0.00 0.00 61.69 57.86 2nsw s THR 7 Cb -0.24 -2.68 0.13 0.00 1.34 0.00 0.00 72.50 71.06 2nsw s THR 7 CO 0.30 -0.83 1.33 -0.24 -0.54 0.00 0.00 174.62 174.64 2nsw n SER 8 N 3.10 0.00 -0.06 3.99 2.88 -1.26 -0.29 113.62 121.98 2nsw n SER 8 Ca 0.06 0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.84 2nsw n SER 8 Cb 0.33 -0.42 -0.06 0.00 -0.75 0.00 0.00 64.21 63.30 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 0.38 0.00 -1.46 4.81 -1.91 -3.32 114.58 113.08 2nsw h GLU 9 Ca 0.00 -0.18 -0.29 0.00 -0.13 0.00 0.00 59.36 58.76 2nsw h GLU 9 Cb 0.16 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 2nsw h GLU 9 CO 0.00 0.72 -2.24 -2.37 -0.73 0.00 0.00 179.01 174.38 2nsw n THR 10 N -4.57 1.13 -1.97 0.32 5.66 -1.00 -4.94 114.28 108.90 2nsw n THR 10 Ca -0.05 -0.78 -0.41 0.00 -3.05 0.00 0.00 64.05 59.75 2nsw n THR 10 Cb 0.34 -0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 68.69 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 1.55 0.18 -5.11 0.00 -0.04 -1.26 -4.70 135.00 125.63 2nsw n PRO 12 Ca 0.04 0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.31 2nsw n PRO 12 Cb 0.40 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.76 2.03 -0.19 0.54 2.02 -1.26 -5.02 117.35 112.71 2nsw s TYR 13 Ca 0.17 -0.42 0.16 0.00 -0.37 0.00 0.00 57.07 56.61 2nsw s TYR 13 Cb 0.15 -1.31 0.45 0.00 -0.40 0.00 0.00 41.96 40.84 2nsw s TYR 13 CO 0.37 -0.06 1.18 0.36 -1.57 0.00 0.00 175.55 175.83 2nsw n LYS 14 N 2.61 1.77 -0.13 -0.62 -0.00 -1.26 -4.69 118.16 115.83 2nsw n LYS 14 Ca -0.16 -3.26 -0.25 0.00 -0.00 0.00 0.00 58.31 54.64 2nsw n LYS 14 Cb 0.52 -1.41 -0.11 0.00 -0.00 0.00 0.00 35.03 34.04 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 -0.53 1.97 -3.51 -5.58 5.15 -1.26 -5.06 115.26 106.44 2nsw n ASN 15 Ca 0.20 0.15 -0.11 0.00 -0.60 0.00 0.00 54.58 54.22 2nsw n ASN 15 Cb 0.89 -0.66 -0.03 0.00 -0.53 0.00 0.00 39.78 39.45 2nsw n ASN 15 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2nsw s ASP 16 N -7.08 -0.44 0.19 1.20 2.15 -1.26 -5.01 116.67 106.42 2nsw s ASP 16 Ca -0.37 0.18 0.01 0.00 0.43 0.00 0.00 52.55 52.80 2nsw s ASP 16 Cb 0.12 0.42 0.09 0.00 -0.30 0.00 0.00 42.92 43.25 2nsw s ASP 16 CO 0.55 -0.61 1.45 0.77 -0.17 0.00 0.00 175.17 177.15 2nsw h SER 17 N 2.25 0.39 1.26 -0.34 4.64 -1.95 -2.91 113.55 116.91 2nsw h SER 17 Ca -0.24 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 2nsw h SER 17 Cb 1.22 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2nsw h SER 17 CO 0.33 0.99 -0.20 -0.61 -0.87 0.00 0.00 176.83 176.48 2nsw h GLN 18 N 0.22 0.00 0.61 4.77 4.15 -1.97 -2.36 115.11 120.53 2nsw h GLN 18 Ca -0.03 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 2nsw h GLN 18 Cb 1.30 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.99 2nsw h GLN 18 CO 0.12 0.20 -0.29 1.25 -1.93 0.00 0.00 178.83 178.18 2nsw h LEU 19 N 0.00 -0.69 -1.63 -2.39 7.12 -1.91 0.54 115.31 116.35 2nsw h LEU 19 Ca -0.00 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 2nsw h LEU 19 Cb 0.88 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.18 2nsw h LEU 19 CO 0.03 -0.32 0.12 0.00 -0.13 0.00 0.00 178.44 178.13 2nsw h ALA 20 N -0.97 1.72 -0.45 1.25 0.00 -1.58 -0.57 119.26 118.66 2nsw h ALA 20 Ca -0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2nsw h ALA 20 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2nsw h ALA 20 CO 0.14 0.23 -0.18 2.35 0.00 0.00 0.00 179.25 181.79 2nsw h TRP 21 N 0.37 1.04 0.00 0.00 2.91 -1.28 -1.33 115.95 117.67 2nsw h TRP 21 Ca 0.09 -0.25 0.00 0.00 1.13 0.00 0.00 58.89 59.87 2nsw h TRP 21 Cb 0.05 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.45 2nsw h TRP 21 CO 0.00 1.04 0.00 -3.47 -1.03 0.00 0.00 178.44 174.98 2nsw n ASP 22 N -4.19 0.41 -0.07 2.65 2.03 0.19 0.19 116.55 117.76 2nsw n ASP 22 Ca -0.01 0.63 -0.09 0.00 0.52 0.00 0.00 54.79 55.84 2nsw n ASP 22 Cb 0.43 -0.71 -0.06 0.00 -0.72 0.00 0.00 41.12 40.06 2nsw n ASP 22 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2nsw h THR 23 N 0.00 0.63 0.00 5.18 2.02 -0.37 -3.31 112.91 117.06 2nsw h THR 23 Ca 0.00 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.60 2nsw h THR 23 Cb 0.21 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2nsw h THR 23 CO 0.00 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.10 2nsw n SER 25 N -1.93 5.88 0.00 0.00 3.41 0.13 -3.68 113.62 117.43 2nsw n SER 25 Ca 0.00 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 2nsw n SER 25 Cb 0.00 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.52 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 2.72 0.85 0.34 5.00 0.00 -0.84 -4.40 105.19 108.85 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 -0.26 2.94 1.57 -0.02 0.00 -1.24 -4.96 105.19 103.22 2nsw n GLY 27 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.44 2.61 -2.24 -1.26 -4.29 114.28 108.65 2nsw n THR 28 Ca 0.00 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 2nsw n THR 28 Cb 0.00 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.32 0.71 2.56 3.38 0.00 -1.25 -4.05 105.19 106.86 2nsw n GLY 29 Ca 0.00 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 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 2.73 7.59 -4.69 1.61 6.94 -1.16 -4.96 115.26 123.32 2nsw n ASN 30 Ca 0.00 -3.81 -0.42 0.00 -0.02 0.00 0.00 54.58 50.33 2nsw n ASN 30 Cb 0.00 -1.00 -0.03 0.00 -2.36 0.00 0.00 39.78 36.39 2nsw n ASN 30 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2nsw s GLY 32 N 2.48 0.05 0.00 0.00 0.00 -1.26 -4.93 107.32 103.65 2nsw s GLY 32 Ca 0.76 -0.24 0.28 0.00 0.00 0.00 0.00 44.72 45.52 2nsw s GLY 32 CO 0.33 3.24 1.78 2.41 0.00 0.00 0.00 173.10 180.86 2nsw n THR 33 N -0.75 0.00 0.10 0.90 -1.04 -1.26 -3.47 114.28 108.76 2nsw n THR 33 Ca -0.01 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.05 61.78 2nsw n THR 33 Cb 0.59 -0.03 -0.12 0.00 -1.82 0.00 0.00 70.33 68.95 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 0.55 1.48 0.00 12.58 2.07 -1.94 -2.99 116.25 128.00 2nsw h VAL 34 Ca 0.00 -2.95 0.00 0.00 0.82 0.00 0.00 66.70 64.57 2nsw h VAL 34 Cb 0.40 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2nsw h VAL 34 CO 0.00 0.86 0.00 0.00 0.02 0.00 0.00 177.57 178.45 2nsw n GLY 37 N -1.04 5.33 0.00 0.00 0.00 -1.12 -3.07 105.19 105.30 2nsw n GLY 37 Ca -0.01 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.38 1.41 0.00 1.61 -0.06 -1.14 -4.90 117.38 113.93 2nsw n GLN 38 Ca 0.54 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.54 2nsw n GLN 38 Cb 0.46 -0.97 0.00 0.00 -4.06 0.00 0.00 30.24 25.68 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 -1.74 1.66 0.05 0.00 0.40 -1.17 0.20 117.98 117.36 2nsw s PHE 40 Ca 0.00 -0.93 -0.02 0.00 -0.60 0.00 0.00 56.93 55.38 2nsw s PHE 40 Cb 0.00 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 2nsw s PHE 40 CO 0.00 -0.16 0.00 -1.12 0.70 0.00 0.00 175.22 174.64 2nsw s SER 41 N -4.10 0.41 0.77 1.36 0.01 -1.21 -3.75 113.70 107.19 2nsw s SER 41 Ca 0.17 -0.89 -0.15 0.00 1.31 0.00 0.00 55.95 56.40 2nsw s SER 41 Cb -0.01 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.44 2nsw s SER 41 CO 0.11 -0.58 0.82 0.33 0.41 0.00 0.00 173.24 174.33 2nsw n PHE 42 N 0.27 0.09 1.50 2.43 7.35 -1.26 -0.02 117.46 127.82 2nsw n PHE 42 Ca -0.15 0.36 0.03 0.00 -0.76 0.00 0.00 57.45 56.92 2nsw n PHE 42 Cb 0.60 -2.00 0.15 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 -1.85 0.75 -0.06 -7.13 -0.04 -1.26 -4.65 135.00 120.76 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 0.00 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 1.29 0.00 0.52 2.07 -0.84 -2.57 116.25 116.72 2nsw h VAL 44 Ca 0.00 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2nsw h VAL 44 Cb 0.00 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2nsw h VAL 44 CO 0.00 0.54 0.33 -1.28 0.02 0.00 0.00 177.57 177.19 2nsw h SER 45 N 0.62 0.00 0.96 0.57 0.87 -1.37 1.45 113.55 116.65 2nsw h SER 45 Ca 0.03 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.47 2nsw h SER 45 Cb 1.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 2nsw h SER 45 CO 0.10 0.00 -1.11 -0.61 -0.53 0.00 0.00 176.83 174.69 2nsw h GLN 46 N 0.00 0.00 -0.03 2.24 4.15 -1.75 -3.33 115.11 116.38 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 0.67 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.37 2nsw h GLN 46 CO 0.00 0.29 -0.94 0.66 -1.93 0.00 0.00 178.83 176.91 2nsw h SER 47 N 0.00 0.75 0.15 -0.69 4.64 0.19 -2.47 113.55 116.12 2nsw h SER 47 Ca -0.10 -0.57 -0.00 0.00 -0.47 0.00 0.00 61.79 60.65 2nsw h SER 47 Cb 1.44 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2nsw h SER 47 CO 0.04 1.37 -0.24 0.00 -0.87 0.00 0.00 176.83 177.13 2nsw h ALA 49 N -1.24 1.07 0.00 0.00 0.00 -1.67 0.24 119.26 117.67 2nsw h ALA 49 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2nsw h ALA 49 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2nsw h ALA 49 CO -0.08 -0.07 -0.04 0.78 0.00 0.00 0.00 179.25 179.84 2nsw h GLY 50 N 0.00 0.00 -1.26 0.00 0.00 -0.13 -3.32 103.07 98.36 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 -4.70 1.79 -0.48 4.80 1.56 0.60 -3.83 117.12 116.86 2nsw n MET 51 Ca -0.05 -0.79 -0.01 0.00 -0.27 0.00 0.00 57.70 56.58 2nsw n MET 51 Cb 0.22 -1.46 0.16 0.00 2.15 0.00 0.00 33.22 34.29 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 3.41 -1.55 -5.12 0.00 0.79 -3.58 120.51 114.58 2nsw n ALA 52 Ca 0.07 -1.06 0.07 0.00 0.00 0.00 0.00 53.44 52.53 2nsw n ALA 52 Cb 0.35 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 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 0.13 -8.26 0.00 0.00 8.00 -1.25 -4.62 116.55 110.55 2nsw n ASP 53 Ca 0.18 1.72 0.00 0.00 0.71 0.00 0.00 54.79 57.40 2nsw n ASP 53 Cb 0.81 -5.13 0.00 0.00 -0.02 0.00 0.00 41.12 36.78 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 -3.37 0.00 -0.20 -2.24 7.64 -1.26 -4.70 113.62 109.50 2nsw n SER 54 Ca -0.04 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.95 2nsw n SER 54 Cb 0.57 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 1.32 0.11 6.43 5.15 -1.26 -4.04 115.26 122.38 2nsw n ASN 55 Ca 0.00 -1.10 -0.03 0.00 -0.60 0.00 0.00 54.58 52.85 2nsw n ASN 55 Cb 0.00 0.67 0.08 0.00 -0.53 0.00 0.00 39.78 40.00 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 0.96 0.02 -3.92 1.20 1.82 -1.88 -3.45 116.42 111.16 2nsw h ASP 56 Ca 0.00 -0.01 -0.44 0.00 -0.39 0.00 0.00 57.03 56.19 2nsw h ASP 56 Cb 0.59 -0.01 0.16 0.00 0.68 0.00 0.00 39.33 40.76 2nsw h ASP 56 CO 0.00 0.74 0.28 0.00 -1.61 0.00 0.00 179.24 178.66 2nsw n PRO 58 N -4.10 0.75 -2.71 0.00 -0.04 -1.26 -4.79 135.00 122.85 2nsw n PRO 58 Ca 0.12 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 2nsw n PRO 58 Cb 0.59 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.95 6.82 0.00 3.54 0.01 -1.26 -5.18 114.94 116.92 2nsw s ASN 59 Ca 0.34 1.68 0.00 0.00 -0.71 0.00 0.00 52.86 54.17 2nsw s ASN 59 Cb 0.15 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.28 2nsw s ASN 59 CO 0.26 -0.44 0.00 0.00 -1.51 0.00 0.00 177.10 175.41