#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 1.00 -0.09 0.53 -5.35 -1.26 -4.43 119.36 109.77 2nsw n ILE 2 Ca 0.00 -0.38 0.18 0.00 -0.27 0.00 0.00 62.75 62.28 2nsw n ILE 2 Cb 0.00 -1.12 0.60 0.00 -1.74 0.00 0.00 39.64 37.38 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 0.20 0.00 6.28 4.81 -1.96 1.37 114.58 125.28 2nsw h GLU 3 Ca -0.39 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2nsw h GLU 3 Cb 1.60 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.94 2nsw h GLU 3 CO -0.06 0.13 0.00 -0.25 -0.73 0.00 0.00 179.01 178.10 2nsw n ASP 4 N -4.42 0.32 -0.05 1.04 9.92 -1.26 -2.41 116.55 119.68 2nsw n ASP 4 Ca 0.12 0.56 0.05 0.00 -0.53 0.00 0.00 54.79 54.99 2nsw n ASP 4 Cb 0.58 -0.63 0.08 0.00 -0.64 0.00 0.00 41.12 40.50 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 -1.83 0.00 -2.64 1.24 3.72 0.44 -5.04 117.46 113.36 2nsw n PHE 5 Ca 0.04 -0.74 -0.41 0.00 -0.05 0.00 0.00 57.45 56.30 2nsw n PHE 5 Cb 0.27 -0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.95 3.75 -0.60 1.38 5.04 0.58 -3.65 117.35 121.90 2nsw s TYR 6 Ca 0.17 1.74 0.02 0.00 -2.44 0.00 0.00 57.07 56.57 2nsw s TYR 6 Cb 0.15 -3.14 0.15 0.00 0.35 0.00 0.00 41.96 39.47 2nsw s TYR 6 CO 0.02 -0.09 0.37 0.95 -1.34 0.00 0.00 175.55 175.45 2nsw s THR 7 N -0.43 3.00 -1.68 4.34 -4.23 0.27 -4.89 115.64 112.01 2nsw s THR 7 Ca 0.46 -3.43 0.20 0.00 -1.18 0.00 0.00 61.69 57.74 2nsw s THR 7 Cb -0.27 -3.01 0.44 0.00 1.34 0.00 0.00 72.50 71.00 2nsw s THR 7 CO 0.33 -0.87 1.59 -0.24 -0.54 0.00 0.00 174.62 174.90 2nsw n SER 8 N 2.96 0.00 -0.01 3.99 2.88 -1.26 -0.23 113.62 121.94 2nsw n SER 8 Ca 0.09 -0.27 -0.16 0.00 -1.33 0.00 0.00 58.87 57.19 2nsw n SER 8 Cb 0.34 -0.16 -0.10 0.00 -0.75 0.00 0.00 64.21 63.54 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 0.40 0.00 -1.46 4.81 -1.91 -3.36 114.58 113.06 2nsw h GLU 9 Ca 0.00 -0.39 -0.16 0.00 -0.13 0.00 0.00 59.36 58.68 2nsw h GLU 9 Cb 0.10 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2nsw h GLU 9 CO 0.00 1.04 -2.01 -2.37 -0.73 0.00 0.00 179.01 174.95 2nsw n THR 10 N -4.28 0.62 -1.97 0.32 5.66 -1.11 -4.96 114.28 108.55 2nsw n THR 10 Ca -0.09 -0.58 -0.41 0.00 -3.05 0.00 0.00 64.05 59.92 2nsw n THR 10 Cb 0.61 -0.25 -0.02 0.00 -1.55 0.00 0.00 70.33 69.12 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 1.86 0.34 -4.90 0.00 -0.04 -1.26 -4.66 135.00 126.33 2nsw n PRO 12 Ca 0.05 0.07 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 2nsw n PRO 12 Cb 0.40 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.55 2.74 -0.21 0.54 2.02 -1.26 -4.99 117.35 113.64 2nsw s TYR 13 Ca 0.22 -0.71 0.12 0.00 -0.37 0.00 0.00 57.07 56.32 2nsw s TYR 13 Cb 0.15 -1.79 0.43 0.00 -0.40 0.00 0.00 41.96 40.35 2nsw s TYR 13 CO 0.34 -0.24 1.21 0.36 -1.57 0.00 0.00 175.55 175.66 2nsw n LYS 14 N 3.44 1.75 -0.11 -0.62 -0.00 -1.26 -4.70 118.16 116.66 2nsw n LYS 14 Ca -0.18 -3.34 -0.19 0.00 -0.00 0.00 0.00 58.31 54.60 2nsw n LYS 14 Cb 0.53 -1.60 -0.06 0.00 -0.00 0.00 0.00 35.03 33.90 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 -0.95 1.87 -3.49 -5.58 5.15 -1.26 -5.08 115.26 105.92 2nsw n ASN 15 Ca 0.21 0.32 -0.10 0.00 -0.60 0.00 0.00 54.58 54.41 2nsw n ASN 15 Cb 0.76 -0.75 -0.02 0.00 -0.53 0.00 0.00 39.78 39.24 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 -6.67 -0.43 0.28 1.20 -1.08 -1.26 -5.03 116.67 103.68 2nsw s ASP 16 Ca -0.32 0.05 0.09 0.00 -0.52 0.00 0.00 52.55 51.85 2nsw s ASP 16 Cb 0.09 0.44 0.39 0.00 -1.46 0.00 0.00 42.92 42.38 2nsw s ASP 16 CO 0.44 -0.69 1.64 0.77 0.52 0.00 0.00 175.17 177.84 2nsw h SER 17 N 2.08 0.08 0.45 -0.34 4.64 -1.94 -2.67 113.55 115.84 2nsw h SER 17 Ca -0.25 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.97 2nsw h SER 17 Cb 1.25 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2nsw h SER 17 CO 0.33 0.63 -0.26 1.56 -0.87 0.00 0.00 176.83 178.22 2nsw h GLN 18 N 0.05 0.00 0.31 4.77 4.20 -1.96 0.27 115.11 122.75 2nsw h GLN 18 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2nsw h GLN 18 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2nsw h GLN 18 CO 0.08 0.26 -0.15 1.25 -0.67 0.00 0.00 178.83 179.60 2nsw h LEU 19 N 0.00 -0.35 -1.58 1.46 5.85 -1.88 1.42 115.31 120.23 2nsw h LEU 19 Ca -0.00 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.84 2nsw h LEU 19 Cb 0.55 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2nsw h LEU 19 CO 0.03 -0.16 0.45 0.00 -0.34 0.00 0.00 178.44 178.43 2nsw h ALA 20 N -1.63 2.01 -0.23 1.25 0.00 -1.54 0.24 119.26 119.36 2nsw h ALA 20 Ca -0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 2nsw h ALA 20 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2nsw h ALA 20 CO 0.07 -0.16 -0.64 2.35 0.00 0.00 0.00 179.25 180.86 2nsw h TRP 21 N 0.46 1.10 0.00 0.00 2.91 -0.90 -1.57 115.95 117.95 2nsw h TRP 21 Ca 0.32 -0.43 0.00 0.00 1.13 0.00 0.00 58.89 59.91 2nsw h TRP 21 Cb 0.62 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.08 2nsw h TRP 21 CO -0.00 1.27 0.00 -0.25 -1.03 0.00 0.00 178.44 178.43 2nsw n ASP 22 N -3.98 0.57 -0.03 2.65 8.00 0.49 -0.26 116.55 123.98 2nsw n ASP 22 Ca -0.06 0.70 -0.02 0.00 0.71 0.00 0.00 54.79 56.12 2nsw n ASP 22 Cb 0.68 -0.80 -0.01 0.00 -0.02 0.00 0.00 41.12 40.98 2nsw n ASP 22 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2nsw h THR 23 N 0.00 0.00 0.12 -3.53 2.02 -0.49 -3.30 112.91 107.73 2nsw h THR 23 Ca 0.00 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 2nsw h THR 23 Cb 0.18 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 2nsw h THR 23 CO 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 2nsw n SER 25 N -2.56 6.13 0.00 0.00 3.41 0.64 -3.58 113.62 117.66 2nsw n SER 25 Ca -0.02 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 2nsw n SER 25 Cb 0.07 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.57 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 2.68 -0.44 0.71 5.00 0.00 -1.18 -4.51 105.19 107.43 2nsw n GLY 26 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.23 2.93 1.29 -0.02 0.00 -1.24 -4.97 105.19 103.40 2nsw n GLY 27 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.06 0.00 0.00 2.61 -2.24 -1.26 -3.92 114.28 109.42 2nsw n THR 28 Ca 0.00 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 2nsw n THR 28 Cb 0.00 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.74 1.42 2.55 3.38 0.00 -1.26 -4.02 105.19 108.00 2nsw n GLY 29 Ca -0.01 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 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 5.73 2.67 -4.80 1.61 6.94 -1.26 -5.00 115.26 121.16 2nsw n ASN 30 Ca 0.00 -3.27 -0.33 0.00 -0.02 0.00 0.00 54.58 50.96 2nsw n ASN 30 Cb 0.00 -0.56 0.01 0.00 -2.36 0.00 0.00 39.78 36.87 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 -0.81 -2.13 0.12 0.00 0.00 -1.26 -4.93 105.19 96.18 2nsw n GLY 32 Ca 0.09 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 2.92 0.00 -0.02 2.61 -1.04 -1.26 -3.61 114.28 113.89 2nsw n THR 33 Ca 0.00 -0.06 -0.16 0.00 -2.04 0.00 0.00 64.05 61.79 2nsw n THR 33 Cb 0.00 -0.10 -0.09 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 0.58 1.39 0.00 12.58 2.07 -1.93 -2.73 116.25 128.21 2nsw h VAL 34 Ca 0.00 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.66 2nsw h VAL 34 Cb 0.35 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2nsw h VAL 34 CO 0.00 0.55 0.00 0.00 0.02 0.00 0.00 177.57 178.14 2nsw n GLY 37 N -1.30 6.20 0.95 0.00 0.00 -0.81 -2.81 105.19 107.42 2nsw n GLY 37 Ca -0.05 -2.57 -0.02 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.75 0.04 -0.01 1.61 7.27 -1.02 -4.84 117.38 119.69 2nsw n GLN 38 Ca 0.49 0.02 0.04 0.00 0.07 0.00 0.00 57.00 57.62 2nsw n GLN 38 Cb 0.84 -0.58 -0.09 0.00 2.41 0.00 0.00 30.24 32.82 2nsw n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nsw n PHE 40 N -1.98 -0.19 -3.67 0.00 3.72 -1.23 0.94 117.46 115.05 2nsw n PHE 40 Ca -0.05 -1.55 -0.12 0.00 -0.05 0.00 0.00 57.45 55.68 2nsw n PHE 40 Cb 0.40 0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.96 2nsw n PHE 40 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2nsw s SER 41 N -2.38 -0.23 0.74 4.37 0.01 -1.12 -3.42 113.70 111.66 2nsw s SER 41 Ca 0.17 -0.15 -0.16 0.00 1.31 0.00 0.00 55.95 57.12 2nsw s SER 41 Cb 0.01 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 2nsw s SER 41 CO 0.12 -0.72 0.71 0.33 0.41 0.00 0.00 173.24 174.09 2nsw n PHE 42 N 0.25 -0.22 1.51 2.43 7.35 -1.26 0.03 117.46 127.55 2nsw n PHE 42 Ca -0.18 0.36 0.02 0.00 -0.76 0.00 0.00 57.45 56.90 2nsw n PHE 42 Cb 0.61 -1.97 0.14 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 -1.33 0.75 -0.08 -7.13 -0.04 -1.26 -4.65 135.00 121.27 2nsw n PRO 43 Ca 0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 2nsw n PRO 43 Cb 0.50 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.14 0.52 2.07 -0.77 -2.63 116.25 116.59 2nsw h VAL 44 Ca 0.00 -1.66 0.04 0.00 0.82 0.00 0.00 66.70 65.90 2nsw h VAL 44 Cb 0.00 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2nsw h VAL 44 CO 0.00 0.54 0.46 -1.28 0.02 0.00 0.00 177.57 177.31 2nsw h SER 45 N 0.67 0.00 0.78 0.57 0.87 -1.38 1.23 113.55 116.28 2nsw h SER 45 Ca 0.03 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.39 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 0.11 0.00 -0.96 -0.61 -0.53 0.00 0.00 176.83 174.84 2nsw h GLN 46 N 0.00 0.10 -0.00 2.24 5.75 -1.77 -2.86 115.11 118.57 2nsw h GLN 46 Ca 0.07 -0.13 -0.25 0.00 -0.15 0.00 0.00 58.65 58.19 2nsw h GLN 46 Cb 0.99 0.04 0.01 0.00 1.07 0.00 0.00 27.48 29.59 2nsw h GLN 46 CO -0.00 0.97 -1.00 0.77 -2.65 0.00 0.00 178.83 176.92 2nsw h SER 47 N 0.04 0.77 0.46 -0.69 0.02 0.14 -0.76 113.55 113.53 2nsw h SER 47 Ca -0.04 -0.61 -0.02 0.00 -0.84 0.00 0.00 61.79 60.28 2nsw h SER 47 Cb 1.64 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 2nsw h SER 47 CO 0.14 1.41 -0.26 0.00 -1.14 0.00 0.00 176.83 176.98 2nsw n ALA 49 N -2.44 2.13 -0.11 0.00 0.00 -1.08 -1.97 120.51 117.04 2nsw n ALA 49 Ca -0.11 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 2nsw n ALA 49 Cb 0.30 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.30 2nsw n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nsw n GLY 50 N 0.47 -0.70 0.63 0.00 0.00 -0.05 -4.24 105.19 101.30 2nsw n GLY 50 Ca 0.11 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 2nsw n GLY 50 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2nsw n MET 51 N -4.38 1.80 -0.64 1.61 1.56 0.58 -4.00 117.12 113.64 2nsw n MET 51 Ca -0.38 -0.84 -0.12 0.00 -0.27 0.00 0.00 57.70 56.09 2nsw n MET 51 Cb 0.72 -1.43 0.07 0.00 2.15 0.00 0.00 33.22 34.74 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 4.18 -1.36 -5.12 0.00 -0.83 -3.80 120.51 113.74 2nsw n ALA 52 Ca 0.08 -1.40 0.16 0.00 0.00 0.00 0.00 53.44 52.28 2nsw n ALA 52 Cb 0.34 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 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 -7.17 0.00 0.00 9.92 -1.26 -4.67 116.55 113.25 2nsw n ASP 53 Ca 0.28 1.23 0.00 0.00 -0.53 0.00 0.00 54.79 55.77 2nsw n ASP 53 Cb 0.95 -4.59 0.00 0.00 -0.64 0.00 0.00 41.12 36.83 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 -4.25 0.00 -0.05 -2.24 7.64 -1.26 -4.74 113.62 108.71 2nsw n SER 54 Ca -0.08 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.84 2nsw n SER 54 Cb 0.63 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 -1.98 0.58 0.24 6.43 2.85 -1.26 -4.40 115.26 117.72 2nsw n ASN 55 Ca 0.00 -0.79 0.15 0.00 -0.11 0.00 0.00 54.58 53.83 2nsw n ASN 55 Cb 0.00 0.86 0.44 0.00 1.24 0.00 0.00 39.78 42.32 2nsw n ASN 55 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2nsw h ASP 56 N 0.26 0.00 -4.30 1.20 3.32 -1.92 -3.44 116.42 111.53 2nsw h ASP 56 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2nsw h ASP 56 Cb 0.22 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.88 2nsw h ASP 56 CO 0.00 0.00 0.35 0.00 -1.72 0.00 0.00 179.24 177.87 2nsw n PRO 58 N -3.35 2.32 -2.85 0.00 -0.04 -1.26 -4.87 135.00 124.94 2nsw n PRO 58 Ca 0.07 -1.41 -0.23 0.00 -0.04 0.00 0.00 63.50 61.90 2nsw n PRO 58 Cb 0.56 -2.34 0.02 0.00 -0.04 0.00 0.00 33.50 31.69 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 2.66 5.66 0.00 3.54 0.01 -1.26 -5.09 114.94 120.46 2nsw s ASN 59 Ca 0.52 0.24 0.04 0.00 -0.71 0.00 0.00 52.86 52.94 2nsw s ASN 59 Cb 0.17 -1.37 0.23 0.00 0.41 0.00 0.00 41.25 40.70 2nsw s ASN 59 CO -0.03 -0.85 0.71 0.00 -1.51 0.00 0.00 177.10 175.43