#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 1.34 0.02 0.53 -5.35 -1.26 -4.30 119.36 110.35 2nsw n ILE 2 Ca 0.00 -0.63 0.20 0.00 -0.27 0.00 0.00 62.75 62.05 2nsw n ILE 2 Cb 0.00 -1.01 0.72 0.00 -1.74 0.00 0.00 39.64 37.60 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 0.00 0.00 6.28 4.11 -1.96 1.49 114.58 124.50 2nsw h GLU 3 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2nsw h GLU 3 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 2nsw h GLU 3 CO -0.04 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.79 2nsw n ASP 4 N -4.19 0.18 -0.10 3.06 8.00 -1.26 -2.49 116.55 119.75 2nsw n ASP 4 Ca 0.09 0.53 0.06 0.00 0.71 0.00 0.00 54.79 56.18 2nsw n ASP 4 Cb 0.61 -0.57 0.08 0.00 -0.02 0.00 0.00 41.12 41.21 2nsw n ASP 4 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2nsw n PHE 5 N -1.69 0.00 -2.56 1.24 3.72 0.49 -5.03 117.46 113.63 2nsw n PHE 5 Ca 0.05 -0.71 -0.43 0.00 -0.05 0.00 0.00 57.45 56.31 2nsw n PHE 5 Cb 0.27 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.93 3.22 -0.81 1.38 5.04 -0.09 -3.63 117.35 120.52 2nsw s TYR 6 Ca 0.19 1.33 -0.07 0.00 -2.44 0.00 0.00 57.07 56.07 2nsw s TYR 6 Cb 0.16 -3.34 0.21 0.00 0.35 0.00 0.00 41.96 39.34 2nsw s TYR 6 CO 0.02 -0.91 0.71 0.95 -1.34 0.00 0.00 175.55 174.98 2nsw s THR 7 N 2.82 4.79 -1.44 4.34 -4.23 0.33 -4.86 115.64 117.39 2nsw s THR 7 Ca 0.50 -3.05 0.16 0.00 -1.18 0.00 0.00 61.69 58.12 2nsw s THR 7 Cb -0.19 -3.99 0.27 0.00 1.34 0.00 0.00 72.50 69.93 2nsw s THR 7 CO 0.14 -1.01 1.44 -0.24 -0.54 0.00 0.00 174.62 174.40 2nsw n SER 8 N 3.30 0.00 0.01 3.99 2.88 -1.26 -0.19 113.62 122.35 2nsw n SER 8 Ca 0.15 0.05 -0.11 0.00 -1.33 0.00 0.00 58.87 57.63 2nsw n SER 8 Cb 0.41 -0.28 -0.09 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.12 0.00 -1.46 4.81 -1.89 -3.36 114.58 112.57 2nsw h GLU 9 Ca 0.00 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.01 2nsw h GLU 9 Cb 0.14 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 2nsw h GLU 9 CO 0.00 0.41 -1.67 -2.37 -0.73 0.00 0.00 179.01 174.65 2nsw n THR 10 N -4.84 1.31 -1.95 0.32 5.66 -1.13 -4.90 114.28 108.74 2nsw n THR 10 Ca -0.08 -0.74 -0.41 0.00 -3.05 0.00 0.00 64.05 59.77 2nsw n THR 10 Cb 0.29 -0.78 -0.02 0.00 -1.55 0.00 0.00 70.33 68.28 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 1.79 0.61 -4.42 0.00 -0.04 -1.26 -4.76 135.00 126.92 2nsw n PRO 12 Ca 0.05 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.29 2nsw n PRO 12 Cb 0.40 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.19 2.48 -0.01 0.54 2.02 -1.26 -5.04 117.35 113.89 2nsw s TYR 13 Ca 0.31 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.65 2nsw s TYR 13 Cb 0.16 -1.36 0.10 0.00 -0.40 0.00 0.00 41.96 40.46 2nsw s TYR 13 CO 0.30 0.56 1.05 0.36 -1.57 0.00 0.00 175.55 176.24 2nsw n LYS 14 N -0.85 0.03 -3.29 -0.62 0.00 -1.26 -4.66 118.16 107.51 2nsw n LYS 14 Ca -0.05 -1.23 -0.25 0.00 -0.00 0.00 0.00 58.31 56.78 2nsw n LYS 14 Cb 0.62 0.38 -0.07 0.00 -0.00 0.00 0.00 35.03 35.96 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 0.07 2.28 0.00 -5.58 3.02 -1.26 -5.03 115.26 108.76 2nsw n ASN 15 Ca -0.20 -3.15 0.00 0.00 -0.03 0.00 0.00 54.58 51.20 2nsw n ASN 15 Cb 0.80 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.97 -1.40 0.28 6.41 2.03 -1.26 -4.29 116.55 119.28 2nsw n ASP 16 Ca 0.26 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.73 2nsw n ASP 16 Cb 0.47 0.81 0.80 0.00 -0.72 0.00 0.00 41.12 42.48 2nsw n ASP 16 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2nsw h SER 17 N 0.00 0.00 0.72 1.67 4.64 -1.95 -0.99 113.55 117.64 2nsw h SER 17 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2nsw h SER 17 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2nsw h SER 17 CO 0.00 0.08 -0.14 1.56 -0.87 0.00 0.00 176.83 177.46 2nsw h GLN 18 N 0.00 0.00 0.27 4.77 4.20 -1.96 0.22 115.11 122.61 2nsw h GLN 18 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2nsw h GLN 18 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2nsw h GLN 18 CO 0.01 0.14 -0.13 1.25 -0.67 0.00 0.00 178.83 179.43 2nsw h LEU 19 N 0.00 -0.31 -1.02 1.46 5.85 -1.36 1.44 115.31 121.37 2nsw h LEU 19 Ca -0.00 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 2nsw h LEU 19 Cb 0.53 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2nsw h LEU 19 CO 0.02 0.15 -0.43 0.00 -0.34 0.00 0.00 178.44 177.84 2nsw h ALA 20 N -0.38 1.18 -0.06 1.25 0.00 -1.59 -0.73 119.26 118.93 2nsw h ALA 20 Ca -0.04 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2nsw h ALA 20 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2nsw h ALA 20 CO 0.06 0.57 -0.34 2.35 0.00 0.00 0.00 179.25 181.90 2nsw h TRP 21 N 0.11 0.46 0.00 0.00 2.91 -0.54 -2.63 115.95 116.26 2nsw h TRP 21 Ca 0.01 -0.21 0.00 0.00 1.13 0.00 0.00 58.89 59.82 2nsw h TRP 21 Cb 0.80 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.38 2nsw h TRP 21 CO 0.01 0.95 0.00 -3.47 -1.03 0.00 0.00 178.44 174.90 2nsw n ASP 22 N -4.41 0.00 -0.07 2.65 2.03 0.49 0.12 116.55 117.37 2nsw n ASP 22 Ca -0.08 0.49 -0.09 0.00 0.52 0.00 0.00 54.79 55.63 2nsw n ASP 22 Cb 0.51 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.91 0.00 5.18 2.02 -0.80 -3.35 112.91 116.87 2nsw h THR 23 Ca 0.00 -1.74 -0.03 0.00 0.77 0.00 0.00 66.41 65.42 2nsw h THR 23 Cb 0.19 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2nsw h THR 23 CO 0.00 0.31 -0.65 0.00 0.37 0.00 0.00 175.52 175.55 2nsw n SER 25 N -4.58 5.26 0.00 0.00 3.41 0.33 -4.25 113.62 113.79 2nsw n SER 25 Ca -0.11 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 2nsw n SER 25 Cb 0.33 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 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 3.10 3.88 0.36 5.00 0.00 -0.94 -4.39 105.19 112.20 2nsw n GLY 26 Ca 0.46 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 0.77 -0.36 0.00 -0.02 0.00 -1.26 -3.09 105.19 101.22 2nsw n GLY 27 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.05 0.00 -0.91 2.61 -2.24 -1.26 -3.46 114.28 104.97 2nsw n THR 28 Ca -0.27 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2nsw n THR 28 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.04 0.79 2.31 3.38 0.00 -1.26 -4.06 105.19 107.38 2nsw n GLY 29 Ca 0.00 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 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 1.91 7.62 -4.71 1.61 6.94 -1.26 -4.86 115.26 122.51 2nsw n ASN 30 Ca 0.00 -3.73 -0.42 0.00 -0.02 0.00 0.00 54.58 50.41 2nsw n ASN 30 Cb 0.00 -0.99 -0.03 0.00 -2.36 0.00 0.00 39.78 36.40 2nsw n ASN 30 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2nsw n GLY 32 N 3.47 -1.25 0.10 0.00 0.00 -1.26 -4.93 105.19 101.32 2nsw n GLY 32 Ca 0.11 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 0.68 0.00 0.07 2.61 -1.04 -1.26 -3.44 114.28 111.89 2nsw n THR 33 Ca 0.00 -0.05 -0.15 0.00 -2.04 0.00 0.00 64.05 61.80 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 0.51 1.27 0.00 12.58 2.07 -1.93 -3.16 116.25 127.58 2nsw h VAL 34 Ca 0.00 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.61 2nsw h VAL 34 Cb 0.40 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 2nsw h VAL 34 CO 0.00 0.83 0.00 0.00 0.02 0.00 0.00 177.57 178.42 2nsw n GLY 37 N -0.73 3.92 1.07 0.00 0.00 -1.18 -2.74 105.19 105.54 2nsw n GLY 37 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 1.21 0.00 -0.00 1.61 7.27 -1.13 -4.86 117.38 121.47 2nsw n GLN 38 Ca 0.43 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.55 2nsw n GLN 38 Cb 0.64 -0.48 -0.07 0.00 2.41 0.00 0.00 30.24 32.74 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 -2.50 1.66 0.05 0.00 0.08 -1.11 0.12 117.98 116.28 2nsw s PHE 40 Ca -0.02 -1.40 -0.02 0.00 0.12 0.00 0.00 56.93 55.61 2nsw s PHE 40 Cb 0.06 -0.90 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 2nsw s PHE 40 CO 0.39 -0.53 0.01 -1.12 -0.10 0.00 0.00 175.22 173.88 2nsw s SER 41 N -3.42 0.38 0.77 1.36 0.01 -1.24 -3.50 113.70 108.06 2nsw s SER 41 Ca 0.34 -0.86 -0.15 0.00 1.31 0.00 0.00 55.95 56.60 2nsw s SER 41 Cb 0.04 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.50 2nsw s SER 41 CO 0.18 -0.58 0.84 0.33 0.41 0.00 0.00 173.24 174.43 2nsw n PHE 42 N 0.30 0.17 1.50 2.43 7.35 -1.26 0.02 117.46 127.97 2nsw n PHE 42 Ca -0.16 0.37 0.03 0.00 -0.76 0.00 0.00 57.45 56.93 2nsw n PHE 42 Cb 0.60 -2.01 0.17 0.00 0.35 0.00 0.00 39.48 38.60 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 -1.88 0.75 -0.04 -7.13 -0.04 -1.26 -4.64 135.00 120.75 2nsw n PRO 43 Ca 0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2nsw n PRO 43 Cb 0.50 -1.12 0.02 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 -0.79 -2.57 116.25 116.78 2nsw h VAL 44 Ca 0.00 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.83 2nsw h VAL 44 Cb 0.00 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2nsw h VAL 44 CO 0.00 0.54 0.34 -1.28 0.02 0.00 0.00 177.57 177.20 2nsw h SER 45 N 0.57 0.00 0.93 0.57 0.87 -1.36 1.49 113.55 116.62 2nsw h SER 45 Ca 0.03 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.45 2nsw h SER 45 Cb 1.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 2nsw h SER 45 CO 0.10 0.00 -1.15 -0.61 -0.53 0.00 0.00 176.83 174.65 2nsw h GLN 46 N 0.00 0.00 -0.03 2.24 4.15 -1.75 -3.32 115.11 116.39 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 0.69 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.39 2nsw h GLN 46 CO 0.00 0.32 -0.95 0.77 -1.93 0.00 0.00 178.83 177.04 2nsw h SER 47 N 0.00 0.78 0.13 -0.69 0.02 0.20 -2.29 113.55 111.70 2nsw h SER 47 Ca -0.11 -0.59 -0.00 0.00 -0.84 0.00 0.00 61.79 60.25 2nsw h SER 47 Cb 1.48 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2nsw h SER 47 CO 0.05 1.39 -0.19 0.00 -1.14 0.00 0.00 176.83 176.94 2nsw h ALA 49 N -1.35 1.09 0.04 0.00 0.00 -1.67 -0.06 119.26 117.31 2nsw h ALA 49 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2nsw h ALA 49 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2nsw h ALA 49 CO -0.05 -0.09 -0.02 0.78 0.00 0.00 0.00 179.25 179.87 2nsw h GLY 50 N 0.00 -0.05 -2.03 0.00 0.00 -0.17 -3.30 103.07 97.52 2nsw h GLY 50 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 2nsw h GLY 50 CO 0.00 -0.02 0.05 -0.13 0.00 0.00 0.00 176.54 176.44 2nsw n MET 51 N -4.75 2.06 -1.07 4.80 1.56 0.55 -4.38 117.12 115.89 2nsw n MET 51 Ca -0.05 -1.01 -0.17 0.00 -0.27 0.00 0.00 57.70 56.20 2nsw n MET 51 Cb 0.24 -1.66 -0.05 0.00 2.15 0.00 0.00 33.22 33.90 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 0.15 5.73 -1.14 -5.12 0.00 -0.11 -2.21 120.51 117.80 2nsw n ALA 52 Ca 0.12 -1.93 0.13 0.00 0.00 0.00 0.00 53.44 51.76 2nsw n ALA 52 Cb 0.64 -1.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 2nsw n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2nsw n ASP 53 N 1.24 -6.11 0.00 0.00 -0.08 -1.18 -4.79 116.55 105.63 2nsw n ASP 53 Ca 0.35 0.65 0.00 0.00 -1.51 0.00 0.00 54.79 54.28 2nsw n ASP 53 Cb 0.64 -3.63 0.00 0.00 2.34 0.00 0.00 41.12 40.47 2nsw n ASP 53 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2nsw n SER 54 N -4.28 0.00 -0.05 1.67 7.64 -1.26 -4.87 113.62 112.47 2nsw n SER 54 Ca -0.02 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.89 2nsw n SER 54 Cb 0.63 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.32 0.50 0.00 6.43 2.85 -1.26 -4.44 115.26 119.02 2nsw n ASN 55 Ca 0.00 -0.75 0.11 0.00 -0.11 0.00 0.00 54.58 53.83 2nsw n ASN 55 Cb 0.00 0.79 0.54 0.00 1.24 0.00 0.00 39.78 42.35 2nsw n ASN 55 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2nsw n ASP 56 N -0.82 0.00 -4.85 1.20 8.00 -1.26 -4.75 116.55 114.08 2nsw n ASP 56 Ca 0.01 0.06 -0.32 0.00 0.71 0.00 0.00 54.79 55.25 2nsw n ASP 56 Cb 0.09 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 2nsw n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nsw n PRO 58 N -0.46 2.44 -2.29 0.00 -0.04 -1.26 -4.88 135.00 128.50 2nsw n PRO 58 Ca 0.04 -1.50 -0.26 0.00 -0.04 0.00 0.00 63.50 61.74 2nsw n PRO 58 Cb 0.53 -2.41 0.05 0.00 -0.04 0.00 0.00 33.50 31.64 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 2.72 5.10 0.00 3.54 -0.87 -1.26 -5.05 114.94 119.12 2nsw s ASN 59 Ca 0.52 0.51 0.00 0.00 -1.57 0.00 0.00 52.86 52.31 2nsw s ASN 59 Cb 0.16 -1.29 0.00 0.00 -0.02 0.00 0.00 41.25 40.11 2nsw s ASN 59 CO -0.03 -1.39 0.00 0.00 -2.57 0.00 0.00 177.10 173.11