#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 1.54 -0.09 0.53 -5.35 -1.26 -4.16 119.36 110.57 2nsw n ILE 2 Ca 0.00 -0.73 0.19 0.00 -0.27 0.00 0.00 62.75 61.94 2nsw n ILE 2 Cb 0.00 -1.07 0.61 0.00 -1.74 0.00 0.00 39.64 37.44 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 0.01 0.18 0.00 6.28 -0.00 -1.97 1.51 114.58 120.59 2nsw h GLU 3 Ca -0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2nsw h GLU 3 Cb 2.07 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 30.78 2nsw h GLU 3 CO 0.02 0.12 0.00 -0.25 -0.00 0.00 0.00 179.01 178.90 2nsw n ASP 4 N -4.41 0.00 -0.21 3.06 9.92 -1.26 -2.29 116.55 121.36 2nsw n ASP 4 Ca 0.13 -0.20 0.04 0.00 -0.53 0.00 0.00 54.79 54.23 2nsw n ASP 4 Cb 0.62 -0.21 0.06 0.00 -0.64 0.00 0.00 41.12 40.94 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 -1.21 0.00 -2.57 1.24 3.72 0.50 -5.04 117.46 114.10 2nsw n PHE 5 Ca 0.12 -0.50 -0.43 0.00 -0.05 0.00 0.00 57.45 56.59 2nsw n PHE 5 Cb 0.15 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.39 3.09 -0.95 1.38 5.04 -0.31 -3.83 117.35 120.37 2nsw s TYR 6 Ca 0.14 1.21 -0.08 0.00 -2.44 0.00 0.00 57.07 55.90 2nsw s TYR 6 Cb 0.12 -3.54 0.24 0.00 0.35 0.00 0.00 41.96 39.13 2nsw s TYR 6 CO 0.01 -0.99 0.90 0.95 -1.34 0.00 0.00 175.55 175.08 2nsw s THR 7 N 3.57 5.35 -1.00 4.34 -4.23 0.12 -4.84 115.64 118.96 2nsw s THR 7 Ca 0.48 -3.25 0.08 0.00 -1.18 0.00 0.00 61.69 57.82 2nsw s THR 7 Cb -0.16 -4.27 0.06 0.00 1.34 0.00 0.00 72.50 69.48 2nsw s THR 7 CO 0.13 -1.10 1.25 -0.24 -0.54 0.00 0.00 174.62 174.12 2nsw n SER 8 N 2.99 0.00 0.20 3.99 2.88 -1.26 -0.09 113.62 122.34 2nsw n SER 8 Ca 0.19 0.50 -0.11 0.00 -1.33 0.00 0.00 58.87 58.12 2nsw n SER 8 Cb 0.40 -0.50 -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 -0.54 0.00 -1.46 4.81 -1.91 -3.34 114.58 112.15 2nsw h GLU 9 Ca 0.00 0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 2nsw h GLU 9 Cb 0.13 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2nsw h GLU 9 CO 0.00 -0.26 -1.32 0.00 -0.73 0.00 0.00 179.01 176.70 2nsw h THR 10 N -1.05 1.18 -3.61 0.32 1.03 -1.70 -3.46 112.91 105.62 2nsw h THR 10 Ca -0.06 -2.92 -0.53 0.00 -0.01 0.00 0.00 66.41 62.90 2nsw h THR 10 Cb 0.53 2.57 0.07 0.00 -1.07 0.00 0.00 68.15 70.24 2nsw h THR 10 CO 0.09 0.67 0.75 0.00 -0.01 0.00 0.00 175.52 177.02 2nsw n PRO 12 N 1.56 0.10 -5.09 0.00 -0.04 -1.26 -4.71 135.00 125.57 2nsw n PRO 12 Ca 0.04 0.21 -0.32 0.00 -0.04 0.00 0.00 63.50 63.39 2nsw n PRO 12 Cb 0.40 -1.65 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 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 -3.09 2.53 -0.13 0.54 2.02 -1.26 -5.01 117.35 112.95 2nsw s TYR 13 Ca 0.09 -0.34 0.19 0.00 -0.37 0.00 0.00 57.07 56.63 2nsw s TYR 13 Cb 0.13 -1.58 0.44 0.00 -0.40 0.00 0.00 41.96 40.54 2nsw s TYR 13 CO 0.44 0.04 1.18 0.36 -1.57 0.00 0.00 175.55 176.00 2nsw n LYS 14 N 2.47 1.10 -0.11 -0.62 -0.00 -1.26 -4.68 118.16 115.06 2nsw n LYS 14 Ca -0.17 -2.84 -0.21 0.00 -0.00 0.00 0.00 58.31 55.09 2nsw n LYS 14 Cb 0.52 -0.97 -0.12 0.00 -0.00 0.00 0.00 35.03 34.46 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 -0.32 1.99 -3.54 -5.58 2.85 -1.26 -5.04 115.26 104.36 2nsw n ASN 15 Ca 0.14 0.05 -0.13 0.00 -0.11 0.00 0.00 54.58 54.54 2nsw n ASN 15 Cb 0.93 -0.60 -0.05 0.00 1.24 0.00 0.00 39.78 41.30 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 -6.84 -0.48 0.21 1.20 2.15 -1.26 -5.02 116.67 106.63 2nsw s ASP 16 Ca -0.34 0.46 -0.01 0.00 0.43 0.00 0.00 52.55 53.09 2nsw s ASP 16 Cb 0.10 0.40 0.17 0.00 -0.30 0.00 0.00 42.92 43.29 2nsw s ASP 16 CO 0.60 -0.49 1.54 0.77 -0.17 0.00 0.00 175.17 177.42 2nsw h SER 17 N 2.64 0.55 1.05 -0.34 4.64 -1.95 -2.71 113.55 117.44 2nsw h SER 17 Ca -0.22 -0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 60.77 2nsw h SER 17 Cb 1.17 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 2nsw h SER 17 CO 0.34 0.97 -0.23 1.56 -0.87 0.00 0.00 176.83 178.60 2nsw h GLN 18 N 0.39 0.00 0.76 4.77 4.20 -1.97 -2.26 115.11 121.00 2nsw h GLN 18 Ca 0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 2nsw h GLN 18 Cb 1.04 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.83 2nsw h GLN 18 CO 0.09 0.23 -0.37 1.25 -0.67 0.00 0.00 178.83 179.37 2nsw h LEU 19 N 0.00 -0.87 -1.54 1.46 7.12 -1.88 0.83 115.31 120.43 2nsw h LEU 19 Ca -0.00 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.03 2nsw h LEU 19 Cb 0.83 0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 2nsw h LEU 19 CO 0.03 -0.51 0.31 0.00 -0.13 0.00 0.00 178.44 178.14 2nsw h ALA 20 N -1.20 1.67 -0.51 1.25 0.00 -1.56 -0.28 119.26 118.64 2nsw h ALA 20 Ca -0.10 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2nsw h ALA 20 Cb 0.80 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2nsw h ALA 20 CO 0.17 0.30 -0.12 2.35 0.00 0.00 0.00 179.25 181.95 2nsw h TRP 21 N 0.63 1.11 0.00 0.00 2.91 -1.23 -0.96 115.95 118.41 2nsw h TRP 21 Ca 0.17 -0.24 0.00 0.00 1.13 0.00 0.00 58.89 59.96 2nsw h TRP 21 Cb -0.06 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.32 2nsw h TRP 21 CO -0.00 1.04 0.00 -0.25 -1.03 0.00 0.00 178.44 178.20 2nsw n ASP 22 N -4.18 0.46 -0.10 2.65 9.92 0.29 0.69 116.55 126.28 2nsw n ASP 22 Ca 0.01 0.66 -0.20 0.00 -0.53 0.00 0.00 54.79 54.73 2nsw n ASP 22 Cb 0.40 -0.74 -0.11 0.00 -0.64 0.00 0.00 41.12 40.03 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 0.93 0.00 -3.53 2.02 -0.45 -3.32 112.91 108.56 2nsw h THR 23 Ca 0.00 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 65.05 2nsw h THR 23 Cb 0.15 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2nsw h THR 23 CO 0.00 0.32 0.00 0.00 0.37 0.00 0.00 175.52 176.21 2nsw n SER 25 N -1.96 5.96 0.00 0.00 3.41 0.22 -3.55 113.62 117.70 2nsw n SER 25 Ca 0.00 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 2nsw n SER 25 Cb 0.00 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.51 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 2.73 -0.64 0.00 5.00 0.00 -1.08 -4.50 105.19 106.70 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 0.13 3.06 3.71 -0.02 0.00 -1.23 -4.99 105.19 105.86 2nsw n GLY 27 Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 2nsw n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nsw s THR 28 N -0.26 1.08 0.00 2.61 -4.23 -1.26 -4.08 115.64 109.50 2nsw s THR 28 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2nsw s THR 28 Cb 0.00 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2nsw s THR 28 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2nsw n GLY 29 N -1.19 0.83 2.06 3.99 0.00 -1.26 -4.07 105.19 105.56 2nsw n GLY 29 Ca -0.16 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 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 1.58 6.26 -4.72 1.61 0.23 -1.23 -4.93 115.26 114.07 2nsw n ASN 30 Ca 0.00 -3.37 -0.42 0.00 -0.53 0.00 0.00 54.58 50.26 2nsw n ASN 30 Cb 0.00 -0.96 -0.03 0.00 -2.08 0.00 0.00 39.78 36.72 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 3.51 -1.43 0.11 0.00 0.00 -1.26 -4.67 105.19 101.45 2nsw n GLY 32 Ca 0.13 -1.01 0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 0.76 0.00 -0.00 2.61 -1.04 -1.26 -3.55 114.28 111.79 2nsw n THR 33 Ca 0.00 -0.06 -0.18 0.00 -2.04 0.00 0.00 64.05 61.77 2nsw n THR 33 Cb 0.00 -0.11 -0.09 0.00 -1.82 0.00 0.00 70.33 68.31 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 0.54 1.32 0.00 12.58 2.07 -1.93 -2.73 116.25 128.10 2nsw h VAL 34 Ca 0.00 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.48 2nsw h VAL 34 Cb 0.36 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2nsw h VAL 34 CO 0.00 0.63 0.00 0.00 0.02 0.00 0.00 177.57 178.22 2nsw n GLY 37 N -1.33 6.24 0.53 0.00 0.00 -0.84 -2.85 105.19 106.94 2nsw n GLY 37 Ca -0.04 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.76 0.00 -0.02 1.61 -0.06 -1.02 -4.84 117.38 112.29 2nsw n GLN 38 Ca 0.50 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 55.49 2nsw n GLN 38 Cb 0.87 -0.73 -0.05 0.00 -4.06 0.00 0.00 30.24 26.27 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 -2.02 -0.11 -3.71 0.00 3.01 -1.22 0.15 117.46 113.56 2nsw n PHE 40 Ca -0.06 -0.85 -0.11 0.00 1.01 0.00 0.00 57.45 57.44 2nsw n PHE 40 Cb 0.48 0.05 -0.06 0.00 -0.01 0.00 0.00 39.48 39.94 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 -1.76 -0.15 0.80 4.37 0.01 -1.13 -3.44 113.70 112.40 2nsw s SER 41 Ca 0.10 -0.26 -0.14 0.00 1.31 0.00 0.00 55.95 56.95 2nsw s SER 41 Cb 0.00 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.67 2nsw s SER 41 CO 0.07 -0.72 0.82 0.33 0.41 0.00 0.00 173.24 174.15 2nsw n PHE 42 N 0.21 0.05 1.50 2.43 7.35 -1.26 -0.17 117.46 127.56 2nsw n PHE 42 Ca -0.17 0.35 0.02 0.00 -0.76 0.00 0.00 57.45 56.89 2nsw n PHE 42 Cb 0.61 -1.98 0.09 0.00 0.35 0.00 0.00 39.48 38.55 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 -2.06 0.75 -0.05 -7.13 -0.04 -1.26 -4.65 135.00 120.56 2nsw n PRO 43 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 2nsw n PRO 43 Cb 0.51 -1.06 -0.02 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 1.28 -0.24 0.52 2.07 -0.95 -2.74 116.25 116.19 2nsw h VAL 44 Ca 0.00 -1.78 0.07 0.00 0.82 0.00 0.00 66.70 65.81 2nsw h VAL 44 Cb 0.00 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2nsw h VAL 44 CO 0.00 0.57 0.49 -1.28 0.02 0.00 0.00 177.57 177.37 2nsw h SER 45 N 0.61 0.00 0.65 0.57 0.87 -1.35 1.18 113.55 116.08 2nsw h SER 45 Ca 0.01 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.38 2nsw h SER 45 Cb 1.17 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 2nsw h SER 45 CO 0.12 0.00 -0.85 -0.61 -0.53 0.00 0.00 176.83 174.96 2nsw h GLN 46 N 0.00 0.14 0.01 2.24 4.15 -1.78 -2.75 115.11 117.11 2nsw h GLN 46 Ca 0.12 -0.15 -0.24 0.00 0.77 0.00 0.00 58.65 59.15 2nsw h GLN 46 Cb 1.10 0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.84 2nsw h GLN 46 CO -0.00 0.91 -0.99 0.77 -1.93 0.00 0.00 178.83 177.58 2nsw h SER 47 N 0.08 0.60 0.30 -0.69 0.02 0.13 -1.19 113.55 112.79 2nsw h SER 47 Ca -0.03 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 2nsw h SER 47 Cb 1.48 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2nsw h SER 47 CO 0.12 1.30 -0.14 0.00 -1.14 0.00 0.00 176.83 176.97 2nsw n ALA 49 N -2.27 2.52 -0.14 0.00 0.00 -1.04 -2.31 120.51 117.28 2nsw n ALA 49 Ca -0.10 -0.17 -0.26 0.00 0.00 0.00 0.00 53.44 52.90 2nsw n ALA 49 Cb 0.18 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 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 0.72 -0.43 0.45 0.00 0.00 -0.09 -4.36 105.19 101.48 2nsw n GLY 50 Ca 0.21 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.96 1.56 -0.73 1.61 1.56 0.59 -3.97 117.12 113.78 2nsw n MET 51 Ca -0.52 -0.80 -0.14 0.00 -0.27 0.00 0.00 57.70 55.97 2nsw n MET 51 Cb 0.92 -1.22 0.07 0.00 2.15 0.00 0.00 33.22 35.14 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 0.14 4.48 -0.88 -5.12 0.00 -0.98 -3.88 120.51 114.28 2nsw n ALA 52 Ca 0.07 -1.54 0.11 0.00 0.00 0.00 0.00 53.44 52.08 2nsw n ALA 52 Cb 0.21 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.06 -4.96 0.00 0.00 8.00 -1.25 -4.22 116.55 114.05 2nsw n ASP 53 Ca 0.30 0.39 0.00 0.00 0.71 0.00 0.00 54.79 56.19 2nsw n ASP 53 Cb 0.88 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 39.10 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 -4.35 0.00 0.11 -2.24 7.64 -1.26 -4.59 113.62 108.92 2nsw n SER 54 Ca -0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2nsw n SER 54 Cb 0.60 -0.05 0.21 0.00 -1.01 0.00 0.00 64.21 63.96 2nsw n SER 54 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2nsw h ASN 55 N 0.00 0.00 0.50 6.43 -0.73 -2.00 -3.23 115.58 116.55 2nsw h ASN 55 Ca 0.00 -0.09 -0.18 0.00 1.87 0.00 0.00 56.30 57.90 2nsw h ASN 55 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 2nsw h ASN 55 CO 0.00 0.04 -0.79 -0.78 -0.37 0.00 0.00 177.43 175.53 2nsw h ASP 56 N 0.00 0.27 -4.02 1.15 3.58 -1.88 -3.45 116.42 112.08 2nsw h ASP 56 Ca 0.00 -0.20 -0.51 0.00 0.42 0.00 0.00 57.03 56.74 2nsw h ASP 56 Cb 0.82 -0.08 0.07 0.00 1.72 0.00 0.00 39.33 41.86 2nsw h ASP 56 CO 0.00 0.96 0.49 0.00 -2.88 0.00 0.00 179.24 177.80 2nsw n PRO 58 N -0.63 2.52 -2.82 0.00 -0.04 -1.26 -4.88 135.00 127.88 2nsw n PRO 58 Ca 0.08 -1.57 -0.26 0.00 -0.04 0.00 0.00 63.50 61.71 2nsw n PRO 58 Cb 0.48 -2.45 -0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 2.76 6.21 0.00 3.54 0.01 -1.26 -5.14 114.94 121.05 2nsw s ASN 59 Ca 0.52 0.77 0.00 0.00 -0.71 0.00 0.00 52.86 53.43 2nsw s ASN 59 Cb 0.16 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.69 2nsw s ASN 59 CO -0.04 -0.55 0.00 0.00 -1.51 0.00 0.00 177.10 175.01