#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nsw h ILE 2 N 0.00 0.95 -0.54 0.53 3.07 -1.99 -3.32 117.51 116.21 2nsw h ILE 2 Ca 0.00 -2.68 0.16 0.00 1.55 0.00 0.00 64.86 63.88 2nsw h ILE 2 Cb 0.00 2.59 -0.02 0.00 -0.27 0.00 0.00 36.82 39.12 2nsw h ILE 2 CO 0.00 0.74 0.41 1.05 -1.05 0.00 0.00 178.15 179.30 2nsw h GLU 3 N 0.04 0.00 0.00 0.16 4.11 -1.97 1.50 114.58 118.42 2nsw h GLU 3 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2nsw h GLU 3 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2nsw h GLU 3 CO 0.12 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.95 2nsw n ASP 4 N -4.25 0.00 -0.23 3.06 9.92 -1.25 -2.45 116.55 121.35 2nsw n ASP 4 Ca 0.10 0.44 0.07 0.00 -0.53 0.00 0.00 54.79 54.88 2nsw n ASP 4 Cb 0.63 -0.48 0.11 0.00 -0.64 0.00 0.00 41.12 40.75 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 -1.48 0.00 -2.59 1.24 3.01 0.50 -5.03 117.46 113.11 2nsw n PHE 5 Ca 0.06 -0.80 -0.43 0.00 1.01 0.00 0.00 57.45 57.28 2nsw n PHE 5 Cb 0.24 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 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 -2.22 3.15 -0.83 1.38 5.04 -0.47 -3.62 117.35 119.78 2nsw s TYR 6 Ca 0.25 1.27 -0.09 0.00 -2.44 0.00 0.00 57.07 56.07 2nsw s TYR 6 Cb 0.23 -3.45 0.22 0.00 0.35 0.00 0.00 41.96 39.30 2nsw s TYR 6 CO 0.01 -0.88 0.75 0.95 -1.34 0.00 0.00 175.55 175.04 2nsw s THR 7 N 3.44 5.08 -1.79 4.34 -4.23 0.25 -4.85 115.64 117.89 2nsw s THR 7 Ca 0.47 -2.91 0.19 0.00 -1.18 0.00 0.00 61.69 58.27 2nsw s THR 7 Cb -0.16 -4.15 0.47 0.00 1.34 0.00 0.00 72.50 70.00 2nsw s THR 7 CO 0.11 -1.03 1.56 -0.24 -0.54 0.00 0.00 174.62 174.48 2nsw n SER 8 N 3.46 0.00 -0.05 3.99 2.88 -1.26 -0.13 113.62 122.51 2nsw n SER 8 Ca 0.15 -0.38 -0.14 0.00 -1.33 0.00 0.00 58.87 57.17 2nsw n SER 8 Cb 0.42 -0.10 -0.12 0.00 -0.75 0.00 0.00 64.21 63.66 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 0.03 0.00 -1.46 4.81 -1.90 -3.37 114.58 112.70 2nsw h GLU 9 Ca 0.00 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 2nsw h GLU 9 Cb 0.06 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2nsw h GLU 9 CO 0.00 0.91 -1.96 -2.37 -0.73 0.00 0.00 179.01 174.86 2nsw n THR 10 N -4.62 0.65 -1.95 0.32 5.66 -1.14 -4.94 114.28 108.27 2nsw n THR 10 Ca -0.10 -0.64 -0.41 0.00 -3.05 0.00 0.00 64.05 59.85 2nsw n THR 10 Cb 0.46 -0.28 -0.02 0.00 -1.55 0.00 0.00 70.33 68.94 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 1.42 0.09 -4.27 0.00 -0.04 -1.26 -4.74 135.00 126.19 2nsw n PRO 12 Ca 0.04 0.11 -0.30 0.00 -0.04 0.00 0.00 63.50 63.31 2nsw n PRO 12 Cb 0.40 -1.50 -0.10 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 -2.88 2.71 -0.08 0.54 2.02 -1.26 -5.02 117.35 113.37 2nsw s TYR 13 Ca 0.13 -0.17 0.23 0.00 -0.37 0.00 0.00 57.07 56.90 2nsw s TYR 13 Cb 0.15 -1.43 0.45 0.00 -0.40 0.00 0.00 41.96 40.72 2nsw s TYR 13 CO 0.38 0.41 1.16 0.36 -1.57 0.00 0.00 175.55 176.30 2nsw n LYS 14 N 0.80 0.61 -0.11 -0.62 0.00 -1.26 -4.70 118.16 112.89 2nsw n LYS 14 Ca -0.14 -2.50 -0.20 0.00 -0.00 0.00 0.00 58.31 55.47 2nsw n LYS 14 Cb 0.52 -0.55 -0.07 0.00 -0.00 0.00 0.00 35.03 34.93 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 0.08 1.73 -3.60 -5.58 2.85 -1.26 -5.09 115.26 104.39 2nsw n ASN 15 Ca 0.09 0.30 -0.07 0.00 -0.11 0.00 0.00 54.58 54.78 2nsw n ASN 15 Cb 1.03 -0.70 -0.02 0.00 1.24 0.00 0.00 39.78 41.33 2nsw n ASN 15 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2nsw s ASP 16 N -6.79 -0.32 0.24 1.20 2.15 -1.26 -5.03 116.67 106.87 2nsw s ASP 16 Ca -0.31 -0.18 0.12 0.00 0.43 0.00 0.00 52.55 52.62 2nsw s ASP 16 Cb 0.10 0.47 0.11 0.00 -0.30 0.00 0.00 42.92 43.30 2nsw s ASP 16 CO 0.41 -0.81 1.46 0.77 -0.17 0.00 0.00 175.17 176.82 2nsw h SER 17 N 2.00 0.00 0.69 -0.34 4.64 -1.95 -3.12 113.55 115.47 2nsw h SER 17 Ca -0.24 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.94 2nsw h SER 17 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2nsw h SER 17 CO 0.29 0.67 -0.67 1.56 -0.87 0.00 0.00 176.83 177.81 2nsw h GLN 18 N 0.00 0.00 0.36 4.77 4.20 -1.96 -1.41 115.11 121.06 2nsw h GLN 18 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2nsw h GLN 18 Cb 1.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2nsw h GLN 18 CO 0.09 0.67 -0.17 1.25 -0.67 0.00 0.00 178.83 180.00 2nsw h LEU 19 N 0.00 -0.41 -1.50 1.46 5.85 -1.94 1.39 115.31 120.17 2nsw h LEU 19 Ca -0.01 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.84 2nsw h LEU 19 Cb 1.19 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 2nsw h LEU 19 CO 0.09 -0.24 0.48 0.00 -0.34 0.00 0.00 178.44 178.43 2nsw h ALA 20 N -1.68 1.94 -0.31 1.25 0.00 -1.64 0.34 119.26 119.16 2nsw h ALA 20 Ca -0.05 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2nsw h ALA 20 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2nsw h ALA 20 CO 0.08 -0.11 -0.41 2.35 0.00 0.00 0.00 179.25 181.16 2nsw h TRP 21 N 0.54 0.90 0.00 0.00 2.91 -1.15 -1.53 115.95 117.62 2nsw h TRP 21 Ca 0.34 -0.27 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2nsw h TRP 21 Cb 0.60 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 2nsw h TRP 21 CO -0.00 1.03 0.00 -3.47 -1.03 0.00 0.00 178.44 174.97 2nsw n ASP 22 N -4.04 0.28 -0.01 2.65 -0.08 0.48 0.10 116.55 115.93 2nsw n ASP 22 Ca -0.02 0.57 -0.01 0.00 -1.51 0.00 0.00 54.79 53.82 2nsw n ASP 22 Cb 0.54 -0.63 -0.00 0.00 2.34 0.00 0.00 41.12 43.37 2nsw n ASP 22 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2nsw h THR 23 N 0.00 0.00 0.31 5.18 2.02 -0.05 -3.36 112.91 117.01 2nsw h THR 23 Ca 0.00 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2nsw h THR 23 Cb 0.30 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2nsw h THR 23 CO 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.74 2nsw n SER 25 N -5.05 5.50 0.00 0.00 3.41 0.11 -4.16 113.62 113.44 2nsw n SER 25 Ca -0.06 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 2nsw n SER 25 Cb 0.20 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 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 2.88 3.88 0.39 5.00 0.00 -0.65 -4.37 105.19 112.32 2nsw n GLY 26 Ca 0.47 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 1.55 -0.36 0.00 -0.02 0.00 -1.26 -3.65 105.19 101.45 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 -4.04 0.00 0.00 2.61 -2.24 -1.26 -3.80 114.28 105.55 2nsw n THR 28 Ca -0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2nsw n THR 28 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 2.35 1.18 2.52 3.38 0.00 -1.26 -4.08 105.19 109.27 2nsw n GLY 29 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 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 3.26 3.42 -4.69 1.61 6.94 -1.26 -5.06 115.26 119.48 2nsw n ASN 30 Ca 0.00 -3.27 -0.42 0.00 -0.02 0.00 0.00 54.58 50.87 2nsw n ASN 30 Cb 0.00 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 36.92 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 2.06 -0.04 0.00 0.00 0.00 -1.26 -5.01 107.32 103.08 2nsw s GLY 32 Ca 0.67 -0.09 0.29 0.00 0.00 0.00 0.00 44.72 45.58 2nsw s GLY 32 CO 0.28 2.40 1.86 2.41 0.00 0.00 0.00 173.10 180.05 2nsw n THR 33 N -0.68 0.00 0.10 0.90 -1.04 -1.26 -3.47 114.28 108.82 2nsw n THR 33 Ca -0.03 -0.10 -0.17 0.00 -2.04 0.00 0.00 64.05 61.71 2nsw n THR 33 Cb 0.60 0.02 -0.14 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.92 1.38 0.00 12.58 2.07 -1.94 -3.07 116.25 128.18 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 0.35 2.91 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 -0.65 3.70 0.70 0.00 0.00 -1.20 -2.20 105.19 105.54 2nsw n GLY 37 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.87 0.00 -0.03 1.61 -0.06 -1.12 -4.85 117.38 113.80 2nsw n GLN 38 Ca 0.28 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 55.26 2nsw n GLN 38 Cb 0.59 -0.62 -0.08 0.00 -4.06 0.00 0.00 30.24 26.07 2nsw n GLN 38 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2nsw n PHE 40 N -2.21 -0.25 -4.01 0.00 3.01 -0.94 -0.58 117.46 112.48 2nsw n PHE 40 Ca -0.11 -2.22 -0.08 0.00 1.01 0.00 0.00 57.45 56.04 2nsw n PHE 40 Cb 0.65 0.11 -0.10 0.00 -0.01 0.00 0.00 39.48 40.14 2nsw n PHE 40 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2nsw s SER 41 N -2.98 0.34 0.76 4.37 0.01 -1.24 -3.46 113.70 111.50 2nsw s SER 41 Ca 0.25 -0.76 -0.15 0.00 1.31 0.00 0.00 55.95 56.59 2nsw s SER 41 Cb 0.01 0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.44 2nsw s SER 41 CO 0.17 -0.52 0.79 0.33 0.41 0.00 0.00 173.24 174.42 2nsw n PHE 42 N 0.58 0.01 1.50 2.43 7.35 -1.26 0.05 117.46 128.12 2nsw n PHE 42 Ca -0.17 0.36 0.02 0.00 -0.76 0.00 0.00 57.45 56.90 2nsw n PHE 42 Cb 0.59 -1.99 0.13 0.00 0.35 0.00 0.00 39.48 38.56 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 -1.67 0.75 -0.03 -7.13 -0.04 -1.26 -4.64 135.00 120.97 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 -1.09 0.01 0.00 -0.04 0.00 0.00 33.50 32.88 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 1.30 0.00 0.52 2.07 -0.79 -2.63 116.25 116.72 2nsw h VAL 44 Ca 0.00 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.75 2nsw h VAL 44 Cb 0.00 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2nsw h VAL 44 CO 0.00 0.56 0.33 -1.28 0.02 0.00 0.00 177.57 177.20 2nsw h SER 45 N 0.54 0.00 0.97 0.57 0.87 -1.40 1.49 113.55 116.58 2nsw h SER 45 Ca 0.01 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 2nsw h SER 45 Cb 1.13 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 2nsw h SER 45 CO 0.11 0.00 -1.09 -0.61 -0.53 0.00 0.00 176.83 174.71 2nsw h GLN 46 N 0.00 0.00 0.01 2.24 4.15 -1.77 -3.33 115.11 116.41 2nsw h GLN 46 Ca 0.00 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.17 2nsw h GLN 46 Cb 0.65 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.36 2nsw h GLN 46 CO 0.00 0.22 -1.02 0.77 -1.93 0.00 0.00 178.83 176.87 2nsw h SER 47 N 0.00 0.78 0.15 -0.69 0.02 0.20 -2.63 113.55 111.38 2nsw h SER 47 Ca -0.08 -0.63 -0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2nsw h SER 47 Cb 1.35 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2nsw h SER 47 CO 0.03 1.43 -0.24 0.00 -1.14 0.00 0.00 176.83 176.91 2nsw h ALA 49 N -1.23 1.14 0.00 0.00 0.00 -1.67 0.40 119.26 117.90 2nsw h ALA 49 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2nsw h ALA 49 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2nsw h ALA 49 CO -0.08 -0.14 -0.10 0.78 0.00 0.00 0.00 179.25 179.71 2nsw h GLY 50 N 0.00 0.00 -1.78 0.00 0.00 -0.20 -3.33 103.07 97.75 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 -4.72 2.21 -0.21 4.80 1.56 0.72 -3.89 117.12 117.59 2nsw n MET 51 Ca -0.04 -0.98 0.03 0.00 -0.27 0.00 0.00 57.70 56.44 2nsw n MET 51 Cb 0.15 -1.73 0.12 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 0.19 2.74 -1.71 -5.12 0.00 0.13 -1.63 120.51 115.11 2nsw n ALA 52 Ca 0.09 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2nsw n ALA 52 Cb 0.54 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.19 -9.15 0.00 0.00 9.92 -1.24 -4.59 116.55 111.68 2nsw n ASP 53 Ca 0.08 1.33 0.00 0.00 -0.53 0.00 0.00 54.79 55.67 2nsw n ASP 53 Cb 0.40 -5.18 0.00 0.00 -0.64 0.00 0.00 41.12 35.70 2nsw n ASP 53 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2nsw n SER 54 N -0.77 0.00 -0.06 -2.24 7.64 -1.26 -4.45 113.62 112.49 2nsw n SER 54 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2nsw n SER 54 Cb 0.00 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.86 0.33 0.03 6.43 2.85 -1.26 -2.96 115.26 119.82 2nsw n ASN 55 Ca 0.00 -0.20 0.11 0.00 -0.11 0.00 0.00 54.58 54.38 2nsw n ASN 55 Cb 0.00 -0.13 0.05 0.00 1.24 0.00 0.00 39.78 40.94 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 -1.23 0.63 -4.90 1.20 8.00 -1.26 -4.91 116.55 114.08 2nsw n ASP 56 Ca 0.11 -0.19 -0.28 0.00 0.71 0.00 0.00 54.79 55.13 2nsw n ASP 56 Cb 0.30 0.68 0.03 0.00 -0.02 0.00 0.00 41.12 42.12 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 -2.69 2.26 -3.13 0.00 -0.04 -1.26 -4.85 135.00 125.29 2nsw n PRO 58 Ca 0.05 -1.35 -0.18 0.00 -0.04 0.00 0.00 63.50 61.98 2nsw n PRO 58 Cb 0.57 -2.30 0.01 0.00 -0.04 0.00 0.00 33.50 31.73 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 2.61 5.48 0.00 3.54 -0.87 -1.26 -5.13 114.94 119.31 2nsw s ASN 59 Ca 0.52 -0.53 0.00 0.00 -1.57 0.00 0.00 52.86 51.28 2nsw s ASN 59 Cb 0.18 -0.55 0.00 0.00 -0.02 0.00 0.00 41.25 40.86 2nsw s ASN 59 CO -0.03 -0.79 0.00 0.00 -2.57 0.00 0.00 177.10 173.71