#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 0.63 -0.03 2.12 -5.35 -1.26 -4.51 119.36 110.95 2nsw n ILE 2 Ca 0.00 -0.30 0.22 0.00 -0.27 0.00 0.00 62.75 62.40 2nsw n ILE 2 Cb 0.00 -0.84 0.70 0.00 -1.74 0.00 0.00 39.64 37.76 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 1.57 114.58 125.28 2nsw h GLU 3 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2nsw h GLU 3 Cb 1.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.84 2nsw h GLU 3 CO -0.02 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.01 2nsw n ASP 4 N -4.30 0.57 -0.09 1.04 9.92 -1.26 -2.52 116.55 119.90 2nsw n ASP 4 Ca 0.12 0.60 0.10 0.00 -0.53 0.00 0.00 54.79 55.07 2nsw n ASP 4 Cb 0.69 -0.73 0.14 0.00 -0.64 0.00 0.00 41.12 40.58 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 -2.08 0.01 -2.59 1.24 3.72 0.52 -5.02 117.46 113.26 2nsw n PHE 5 Ca 0.04 -1.01 -0.43 0.00 -0.05 0.00 0.00 57.45 56.00 2nsw n PHE 5 Cb 0.31 -0.15 -0.02 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 -2.89 3.25 -0.86 1.38 5.04 -0.19 -3.92 117.35 119.17 2nsw s TYR 6 Ca 0.32 1.36 -0.07 0.00 -2.44 0.00 0.00 57.07 56.25 2nsw s TYR 6 Cb 0.28 -3.32 0.22 0.00 0.35 0.00 0.00 41.96 39.49 2nsw s TYR 6 CO 0.03 -0.80 0.77 0.95 -1.34 0.00 0.00 175.55 175.16 2nsw s THR 7 N 2.87 4.91 -1.73 4.34 -4.23 0.22 -4.85 115.64 117.17 2nsw s THR 7 Ca 0.49 -3.19 0.19 0.00 -1.18 0.00 0.00 61.69 58.00 2nsw s THR 7 Cb -0.18 -4.04 0.44 0.00 1.34 0.00 0.00 72.50 70.06 2nsw s THR 7 CO 0.13 -1.04 1.55 -0.24 -0.54 0.00 0.00 174.62 174.47 2nsw n SER 8 N 3.12 0.00 -0.04 3.99 2.88 -1.26 -0.24 113.62 122.07 2nsw n SER 8 Ca 0.17 -0.31 -0.14 0.00 -1.33 0.00 0.00 58.87 57.26 2nsw n SER 8 Cb 0.40 -0.13 -0.12 0.00 -0.75 0.00 0.00 64.21 63.61 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 0.09 0.00 -1.46 4.81 -1.91 -3.36 114.58 112.75 2nsw h GLU 9 Ca 0.00 -0.10 -0.19 0.00 -0.13 0.00 0.00 59.36 58.95 2nsw h GLU 9 Cb 0.08 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2nsw h GLU 9 CO 0.00 0.86 -2.10 -2.37 -0.73 0.00 0.00 179.01 174.67 2nsw n THR 10 N -4.60 0.77 -1.95 0.32 5.66 -1.13 -4.94 114.28 108.41 2nsw n THR 10 Ca -0.10 -0.69 -0.41 0.00 -3.05 0.00 0.00 64.05 59.81 2nsw n THR 10 Cb 0.45 -0.29 -0.02 0.00 -1.55 0.00 0.00 70.33 68.92 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 1.49 0.46 -4.74 0.00 -0.04 -1.26 -4.69 135.00 126.22 2nsw n PRO 12 Ca 0.04 0.05 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 2nsw n PRO 12 Cb 0.40 -1.50 -0.15 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 -2.38 1.45 -0.09 0.54 2.02 -1.26 -5.02 117.35 112.62 2nsw s TYR 13 Ca 0.26 -0.31 0.20 0.00 -0.37 0.00 0.00 57.07 56.85 2nsw s TYR 13 Cb 0.16 -0.95 0.43 0.00 -0.40 0.00 0.00 41.96 41.19 2nsw s TYR 13 CO 0.32 -0.06 1.19 0.36 -1.57 0.00 0.00 175.55 175.80 2nsw n LYS 14 N 2.83 0.65 -0.08 -0.62 -0.00 -1.26 -4.67 118.16 115.00 2nsw n LYS 14 Ca -0.15 -2.53 -0.21 0.00 -0.00 0.00 0.00 58.31 55.41 2nsw n LYS 14 Cb 0.54 -0.66 -0.12 0.00 -0.00 0.00 0.00 35.03 34.79 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 -0.16 2.02 -3.56 -5.58 2.85 -1.26 -5.03 115.26 104.54 2nsw n ASN 15 Ca 0.11 0.09 -0.13 0.00 -0.11 0.00 0.00 54.58 54.54 2nsw n ASN 15 Cb 0.96 -0.67 -0.06 0.00 1.24 0.00 0.00 39.78 41.26 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 -6.86 -0.49 0.20 1.20 2.15 -1.26 -5.02 116.67 106.60 2nsw s ASP 16 Ca -0.31 0.57 -0.04 0.00 0.43 0.00 0.00 52.55 53.21 2nsw s ASP 16 Cb 0.09 0.45 0.16 0.00 -0.30 0.00 0.00 42.92 43.32 2nsw s ASP 16 CO 0.64 -0.43 1.57 0.77 -0.17 0.00 0.00 175.17 177.55 2nsw h SER 17 N 2.87 0.70 0.96 -0.34 4.64 -1.94 -2.56 113.55 117.88 2nsw h SER 17 Ca -0.22 -0.31 -0.04 0.00 -0.47 0.00 0.00 61.79 60.75 2nsw h SER 17 Cb 1.15 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 2nsw h SER 17 CO 0.32 1.01 -0.20 1.56 -0.87 0.00 0.00 176.83 178.66 2nsw h GLN 18 N 0.55 0.00 0.79 4.77 4.20 -1.96 -2.16 115.11 121.30 2nsw h GLN 18 Ca 0.05 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2nsw h GLN 18 Cb 0.90 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.69 2nsw h GLN 18 CO 0.08 0.20 -0.38 1.25 -0.67 0.00 0.00 178.83 179.31 2nsw h LEU 19 N 0.00 -0.90 -1.55 1.46 7.12 -1.85 1.27 115.31 120.86 2nsw h LEU 19 Ca -0.00 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.05 2nsw h LEU 19 Cb 0.73 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 41.07 2nsw h LEU 19 CO 0.03 -0.54 0.31 0.00 -0.13 0.00 0.00 178.44 178.10 2nsw h ALA 20 N -1.32 1.69 -0.42 1.25 0.00 -1.54 -0.27 119.26 118.66 2nsw h ALA 20 Ca -0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2nsw h ALA 20 Cb 0.81 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2nsw h ALA 20 CO 0.18 0.28 -0.29 2.35 0.00 0.00 0.00 179.25 181.77 2nsw h TRP 21 N 0.61 1.10 0.00 0.00 2.91 -1.21 -1.50 115.95 117.85 2nsw h TRP 21 Ca 0.18 -0.30 0.00 0.00 1.13 0.00 0.00 58.89 59.90 2nsw h TRP 21 Cb -0.03 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.38 2nsw h TRP 21 CO -0.00 1.11 0.00 -3.47 -1.03 0.00 0.00 178.44 175.05 2nsw n ASP 22 N -4.12 0.44 -0.08 2.65 2.03 0.44 0.69 116.55 118.59 2nsw n ASP 22 Ca -0.01 0.66 -0.11 0.00 0.52 0.00 0.00 54.79 55.84 2nsw n ASP 22 Cb 0.49 -0.73 -0.06 0.00 -0.72 0.00 0.00 41.12 40.09 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 0.56 0.00 5.18 2.02 -0.39 -3.31 112.91 116.97 2nsw h THR 23 Ca 0.00 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.58 2nsw h THR 23 Cb 0.14 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2nsw h THR 23 CO 0.00 0.19 -0.01 0.00 0.37 0.00 0.00 175.52 176.07 2nsw n SER 25 N -2.37 5.73 0.00 0.00 3.41 0.22 -3.57 113.62 117.03 2nsw n SER 25 Ca -0.00 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 2nsw n SER 25 Cb 0.01 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 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 2.50 -0.05 0.61 5.00 0.00 -1.04 -4.45 105.19 107.74 2nsw n GLY 26 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.12 2.87 0.00 -0.02 0.00 -1.23 -4.95 105.19 101.74 2nsw n GLY 27 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 2.61 -2.24 -1.26 -4.24 114.28 109.14 2nsw n THR 28 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2nsw n THR 28 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 3.53 2.80 2.86 3.38 0.00 -1.23 -3.23 105.19 113.30 2nsw n GLY 29 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 7.49 4.61 -4.77 1.61 6.94 -1.14 -4.99 115.26 125.01 2nsw n ASN 30 Ca 0.00 -3.70 -0.35 0.00 -0.02 0.00 0.00 54.58 50.52 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 0.09 0.80 0.00 0.00 0.00 -1.26 -4.90 105.19 99.92 2nsw n GLY 32 Ca 0.12 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.39 0.24 0.06 2.61 -1.04 -1.26 -3.06 114.28 110.45 2nsw n THR 33 Ca 0.00 0.06 -0.12 0.00 -2.04 0.00 0.00 64.05 61.95 2nsw n THR 33 Cb 0.00 -0.74 -0.09 0.00 -1.82 0.00 0.00 70.33 67.69 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 0.00 0.98 0.00 12.58 2.07 -1.91 -2.67 116.25 127.30 2nsw h VAL 34 Ca 0.00 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2nsw h VAL 34 Cb 0.11 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2nsw h VAL 34 CO 0.00 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.81 2nsw n GLY 37 N -1.26 6.20 1.06 0.00 0.00 -0.71 -3.07 105.19 107.41 2nsw n GLY 37 Ca -0.03 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.69 0.00 -0.00 1.61 7.27 -0.96 -4.84 117.38 119.77 2nsw n GLN 38 Ca 0.46 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.58 2nsw n GLN 38 Cb 0.82 -0.48 -0.07 0.00 2.41 0.00 0.00 30.24 32.92 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 -2.54 1.71 0.06 0.00 0.08 -1.22 0.72 117.98 116.79 2nsw s PHE 40 Ca -0.02 -1.47 -0.12 0.00 0.12 0.00 0.00 56.93 55.44 2nsw s PHE 40 Cb 0.06 -0.88 0.01 0.00 -0.57 0.00 0.00 43.02 41.64 2nsw s PHE 40 CO 0.40 -0.60 0.26 -1.54 -0.10 0.00 0.00 175.22 173.63 2nsw s SER 41 N -3.44 -0.04 0.75 1.36 1.04 -1.18 -3.40 113.70 108.80 2nsw s SER 41 Ca 0.34 -0.35 -0.16 0.00 0.48 0.00 0.00 55.95 56.27 2nsw s SER 41 Cb 0.03 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 2nsw s SER 41 CO 0.21 -0.64 0.66 0.33 0.98 0.00 0.00 173.24 174.78 2nsw n PHE 42 N 0.41 -0.38 1.50 5.02 7.35 -1.26 0.04 117.46 130.14 2nsw n PHE 42 Ca -0.18 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 2nsw n PHE 42 Cb 0.60 -1.95 0.00 0.00 0.35 0.00 0.00 39.48 38.48 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 -1.27 0.75 -0.09 -7.13 -0.04 -1.26 -4.66 135.00 121.30 2nsw n PRO 43 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 2nsw n PRO 43 Cb 0.50 -1.00 -0.03 0.00 -0.04 0.00 0.00 33.50 32.93 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 1.27 0.00 0.52 2.07 -0.77 -2.65 116.25 116.70 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 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2nsw h VAL 44 CO 0.00 0.56 0.42 -1.28 0.02 0.00 0.00 177.57 177.28 2nsw h SER 45 N 0.69 0.00 0.80 0.57 0.87 -1.49 1.20 113.55 116.19 2nsw h SER 45 Ca 0.02 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.38 2nsw h SER 45 Cb 1.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2nsw h SER 45 CO 0.12 0.00 -0.97 -0.61 -0.53 0.00 0.00 176.83 174.84 2nsw h GLN 46 N 0.00 0.09 0.03 2.24 4.15 -1.78 -2.92 115.11 116.93 2nsw h GLN 46 Ca 0.00 -0.13 -0.21 0.00 0.77 0.00 0.00 58.65 59.08 2nsw h GLN 46 Cb 0.83 0.04 0.02 0.00 0.21 0.00 0.00 27.48 28.58 2nsw h GLN 46 CO 0.00 0.98 -0.83 0.77 -1.93 0.00 0.00 178.83 177.83 2nsw h SER 47 N 0.04 0.67 0.41 -0.69 0.02 0.13 -1.57 113.55 112.56 2nsw h SER 47 Ca -0.04 -0.79 -0.01 0.00 -0.84 0.00 0.00 61.79 60.12 2nsw h SER 47 Cb 1.67 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 2nsw h SER 47 CO 0.14 1.38 -0.49 0.00 -1.14 0.00 0.00 176.83 176.72 2nsw n ALA 49 N -2.81 1.39 -0.08 0.00 0.00 -1.10 -0.99 120.51 116.91 2nsw n ALA 49 Ca -0.11 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 2nsw n ALA 49 Cb 0.44 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 2nsw n ALA 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2nsw h GLY 50 N 1.32 0.00 -1.29 0.00 0.00 0.51 -3.34 103.07 100.27 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 -4.59 1.83 -0.70 4.80 1.56 0.64 -3.97 117.12 116.69 2nsw n MET 51 Ca -0.15 -0.83 -0.14 0.00 -0.27 0.00 0.00 57.70 56.31 2nsw n MET 51 Cb 0.42 -1.46 0.09 0.00 2.15 0.00 0.00 33.22 34.42 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 4.32 -1.41 -5.12 0.00 -0.16 -3.58 120.51 114.70 2nsw n ALA 52 Ca 0.07 -1.59 0.15 0.00 0.00 0.00 0.00 53.44 52.07 2nsw n ALA 52 Cb 0.36 -1.27 -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 -0.30 -7.37 0.00 0.00 9.92 -1.25 -4.49 116.55 113.06 2nsw n ASP 53 Ca 0.32 1.41 0.00 0.00 -0.53 0.00 0.00 54.79 56.00 2nsw n ASP 53 Cb 1.05 -4.80 0.00 0.00 -0.64 0.00 0.00 41.12 36.73 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 -4.11 0.00 -0.04 -2.24 7.64 -1.26 -4.79 113.62 108.82 2nsw n SER 54 Ca -0.08 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.82 2nsw n SER 54 Cb 0.62 -0.31 -0.01 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.24 0.43 0.23 6.43 5.15 -1.26 -4.49 115.26 119.51 2nsw n ASN 55 Ca 0.00 -0.71 0.12 0.00 -0.60 0.00 0.00 54.58 53.39 2nsw n ASN 55 Cb 0.00 0.78 0.39 0.00 -0.53 0.00 0.00 39.78 40.43 2nsw n ASN 55 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2nsw h ASP 56 N 0.18 0.00 -4.23 1.20 5.19 -1.93 -3.45 116.42 113.38 2nsw h ASP 56 Ca 0.00 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.92 2nsw h ASP 56 Cb 0.11 0.00 0.05 0.00 0.18 0.00 0.00 39.33 39.67 2nsw h ASP 56 CO 0.00 0.11 0.38 0.00 -3.12 0.00 0.00 179.24 176.61 2nsw n PRO 58 N -2.11 2.28 -2.76 0.00 -0.04 -1.26 -4.88 135.00 126.23 2nsw n PRO 58 Ca 0.08 -1.37 -0.25 0.00 -0.04 0.00 0.00 63.50 61.91 2nsw n PRO 58 Cb 0.53 -2.31 0.01 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 2.63 5.94 0.00 3.54 0.01 -1.26 -5.13 114.94 120.66 2nsw s ASN 59 Ca 0.52 0.61 0.12 0.00 -0.71 0.00 0.00 52.86 53.40 2nsw s ASN 59 Cb 0.18 -1.84 0.73 0.00 0.41 0.00 0.00 41.25 40.73 2nsw s ASN 59 CO -0.03 -0.72 1.16 0.00 -1.51 0.00 0.00 177.10 176.00