#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgw n SER 2 N 0.00 -6.64 -3.58 1.61 7.64 -1.26 -5.08 113.62 106.31 1wgw n SER 2 Ca 0.00 1.36 -0.07 0.00 1.01 0.00 0.00 58.87 61.17 1wgw n SER 2 Cb 0.00 -3.68 -0.02 0.00 -1.01 0.00 0.00 64.21 59.50 1wgw n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgw s SER 3 N -4.51 -0.30 0.00 6.43 0.15 -1.26 -5.15 113.70 109.05 1wgw s SER 3 Ca 0.00 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1wgw s SER 3 Cb 0.00 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1wgw s SER 3 CO 0.00 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1wgw n GLY 4 N -0.31 -1.53 3.29 9.45 0.00 -1.26 -4.44 105.19 110.39 1wgw n GLY 4 Ca -0.08 -1.38 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 1wgw n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgw n SER 5 N 0.00 5.59 -3.61 1.61 7.64 -1.26 -4.92 113.62 118.67 1wgw n SER 5 Ca 0.00 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.79 1wgw n SER 5 Cb 0.00 -1.40 -0.01 0.00 -1.01 0.00 0.00 64.21 61.78 1wgw n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgw s SER 6 N 1.11 -0.02 0.00 6.43 1.04 -1.26 -4.11 113.70 116.89 1wgw s SER 6 Ca 0.34 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1wgw s SER 6 Cb -0.06 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1wgw s SER 6 CO -0.03 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1wgw n GLY 7 N -0.24 1.69 1.58 7.32 0.00 -1.26 -4.66 105.19 109.62 1wgw n GLY 7 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1wgw n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgw n ALA 8 N -3.00 1.34 0.09 4.61 0.00 -1.26 -4.90 120.51 117.39 1wgw n ALA 8 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1wgw n ALA 8 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1wgw n ALA 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wgw h ASP 9 N 0.00 0.45 0.00 0.00 5.19 -1.98 -3.33 116.42 116.74 1wgw h ASP 9 Ca 0.00 -0.52 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1wgw h ASP 9 Cb 0.00 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.37 1wgw h ASP 9 CO 0.00 1.42 0.00 0.18 -3.12 0.00 0.00 179.24 177.72 1wgw n LEU 10 N -3.52 0.00 -0.51 1.55 7.99 -1.26 0.17 117.00 121.43 1wgw n LEU 10 Ca -0.12 0.76 0.41 0.00 -0.01 0.00 0.00 56.01 57.05 1wgw n LEU 10 Cb 1.04 -0.26 0.72 0.00 -0.11 0.00 0.00 43.42 44.81 1wgw n LEU 10 CO 0.53 -0.26 1.33 1.23 -1.51 0.00 0.00 177.39 178.72 1wgw h GLY 11 N 0.00 0.67 1.01 -0.72 0.00 -1.74 1.48 103.07 103.77 1wgw h GLY 11 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 47.33 47.10 1wgw h GLY 11 CO 0.00 -0.19 -0.54 3.21 0.00 0.00 0.00 176.54 179.01 1wgw h ARG 12 N 0.06 0.68 -0.50 4.80 2.47 0.22 1.10 114.38 123.21 1wgw h ARG 12 Ca 0.81 -0.50 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 1wgw h ARG 12 Cb 2.87 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 31.25 1wgw h ARG 12 CO -0.21 1.12 0.27 0.87 0.56 0.00 0.00 179.97 182.57 1wgw h LYS 13 N 0.37 0.68 0.00 0.04 1.57 1.24 -2.15 116.57 118.32 1wgw h LYS 13 Ca -0.02 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1wgw h LYS 13 Cb 1.16 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1wgw h LYS 13 CO 0.12 0.50 -0.47 0.82 -0.57 0.00 0.00 179.45 179.85 1wgw h ILE 14 N 0.69 1.48 -0.92 1.86 2.04 -1.00 -3.31 117.51 118.34 1wgw h ILE 14 Ca 0.18 -2.29 0.10 0.00 1.00 0.00 0.00 64.86 63.85 1wgw h ILE 14 Cb 0.02 2.98 -0.12 0.00 -0.74 0.00 0.00 36.82 38.96 1wgw h ILE 14 CO -0.03 0.51 -0.48 0.41 0.00 0.00 0.00 178.15 178.56 1wgw n THR 15 N -4.53 -0.58 -0.26 -0.27 -1.04 0.38 0.16 114.28 108.14 1wgw n THR 15 Ca -0.18 2.20 0.07 0.00 -2.04 0.00 0.00 64.05 64.10 1wgw n THR 15 Cb 0.56 -2.78 0.20 0.00 -1.82 0.00 0.00 70.33 66.49 1wgw n THR 15 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1wgw h SER 16 N 0.00 0.17 -0.93 8.00 0.87 -1.55 0.56 113.55 120.67 1wgw h SER 16 Ca 0.21 0.13 0.10 0.00 -1.23 0.00 0.00 61.79 61.00 1wgw h SER 16 Cb 0.44 0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 1wgw h SER 16 CO -0.88 0.03 0.60 0.00 -0.53 0.00 0.00 176.83 176.04 1wgw h ALA 17 N 1.60 1.60 -0.22 6.23 0.00 0.14 0.48 119.26 129.08 1wgw h ALA 17 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 1wgw h ALA 17 Cb 0.73 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wgw h ALA 17 CO -0.47 0.21 -0.01 -0.07 0.00 0.00 0.00 179.25 178.91 1wgw h LEU 18 N 0.93 0.39 -0.96 0.00 3.38 0.18 -2.93 115.31 116.30 1wgw h LEU 18 Ca 0.44 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1wgw h LEU 18 Cb 0.42 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1wgw h LEU 18 CO -0.20 0.61 0.48 0.03 0.09 0.00 0.00 178.44 179.45 1wgw h ARG 19 N 0.15 1.21 -1.38 1.13 3.08 0.45 -1.81 114.38 117.22 1wgw h ARG 19 Ca 0.06 -0.14 0.40 0.00 0.07 0.00 0.00 59.98 60.37 1wgw h ARG 19 Cb 0.42 -0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1wgw h ARG 19 CO 0.01 0.88 1.18 1.03 -1.07 0.00 0.00 179.97 182.01 1wgw h SER 20 N 1.22 0.00 0.00 7.04 0.87 0.09 0.57 113.55 123.33 1wgw h SER 20 Ca 0.31 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1wgw h SER 20 Cb 0.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1wgw h SER 20 CO -0.05 0.00 -0.33 -0.07 -0.53 0.00 0.00 176.83 175.85 1wgw h LEU 21 N 0.00 0.00 -1.96 2.23 3.38 -1.41 -2.63 115.31 114.92 1wgw h LEU 21 Ca 0.66 -0.33 0.31 0.00 0.09 0.00 0.00 57.88 58.60 1wgw h LEU 21 Cb 3.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 43.72 1wgw h LEU 21 CO -0.01 0.85 0.76 -1.28 0.09 0.00 0.00 178.44 178.86 1wgw h SER 22 N -1.00 0.03 0.90 -0.43 0.87 -0.06 1.44 113.55 115.30 1wgw h SER 22 Ca -0.06 0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.28 1wgw h SER 22 Cb 0.59 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 1wgw h SER 22 CO -0.04 0.01 -1.12 0.78 -0.53 0.00 0.00 176.83 175.93 1wgw h ASN 23 N 0.03 0.03 -3.86 6.23 2.35 -0.35 -3.46 115.58 116.55 1wgw h ASN 23 Ca 0.51 -0.04 -0.45 0.00 -0.55 0.00 0.00 56.30 55.77 1wgw h ASN 23 Cb 2.00 -0.01 0.16 0.00 0.05 0.00 0.00 38.32 40.52 1wgw h ASN 23 CO -0.02 1.03 0.19 0.00 -1.65 0.00 0.00 177.43 176.98 1wgw s ALA 24 N -2.69 0.92 0.00 -0.83 0.00 0.49 -5.01 121.76 114.64 1wgw s ALA 24 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1wgw s ALA 24 Cb 0.09 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1wgw s ALA 24 CO 0.83 -2.87 0.00 2.41 0.00 0.00 0.00 175.76 176.13 1wgw n THR 25 N -4.20 0.00 0.10 0.00 -1.04 -1.26 -4.86 114.28 103.02 1wgw n THR 25 Ca 0.05 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.01 1wgw n THR 25 Cb 0.57 -0.73 -0.03 0.00 -1.82 0.00 0.00 70.33 68.32 1wgw n THR 25 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1wgw h ILE 26 N 0.00 0.00 -4.87 12.58 5.03 -1.95 -3.49 117.51 124.82 1wgw h ILE 26 Ca 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.75 1wgw h ILE 26 Cb 0.79 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.46 1wgw h ILE 26 CO 0.00 0.00 -1.47 -0.38 -0.68 0.00 0.00 178.15 175.62 1wgw n ILE 27 N -3.03-12.30 -2.13 -0.67 2.08 -1.26 -4.94 119.36 97.10 1wgw n ILE 27 Ca -0.04 2.57 0.00 0.00 0.56 0.00 0.00 62.75 65.84 1wgw n ILE 27 Cb 0.13 -6.42 0.00 0.00 -0.75 0.00 0.00 39.64 32.59 1wgw n ILE 27 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1wgw n ASN 28 N 1.52 0.00 0.47 4.38 0.23 -1.26 -4.85 115.26 115.75 1wgw n ASN 28 Ca -0.37 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.50 1wgw n ASN 28 Cb 0.57 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.19 1wgw n ASN 28 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1wgw h GLU 29 N 0.00 -1.15 -0.96 -3.83 4.81 -1.98 -2.75 114.58 108.72 1wgw h GLU 29 Ca 0.00 0.08 0.13 0.00 -0.13 0.00 0.00 59.36 59.44 1wgw h GLU 29 Cb 0.00 0.26 -0.14 0.00 0.63 0.00 0.00 28.75 29.50 1wgw h GLU 29 CO 0.00 -0.76 -0.44 -1.91 -0.73 0.00 0.00 179.01 175.17 1wgw n GLU 30 N -5.27 -0.29 0.00 1.92 4.07 -1.26 -0.22 120.64 119.59 1wgw n GLU 30 Ca -0.15 1.46 0.00 0.00 -0.06 0.00 0.00 57.16 58.42 1wgw n GLU 30 Cb 0.47 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 29.68 1wgw n GLU 30 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1wgw n VAL 31 N -5.34 0.00 -0.33 6.31 0.31 -1.17 0.22 118.33 118.33 1wgw n VAL 31 Ca 0.07 1.44 -0.01 0.00 -0.01 0.00 0.00 64.34 65.84 1wgw n VAL 31 Cb 0.34 -2.06 0.05 0.00 -0.91 0.00 0.00 33.84 31.26 1wgw n VAL 31 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1wgw h LEU 32 N 0.00 -1.24 0.32 7.52 6.46 -0.87 1.59 115.31 129.09 1wgw h LEU 32 Ca 0.00 0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1wgw h LEU 32 Cb 0.00 0.67 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 1wgw h LEU 32 CO 0.00 -0.30 -0.51 -1.13 -0.62 0.00 0.00 178.44 175.88 1wgw h ASN 33 N -0.04 -1.48 0.26 1.25 -1.24 0.95 1.45 115.58 116.74 1wgw h ASN 33 Ca 0.34 0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.49 1wgw h ASN 33 Cb 0.60 0.52 -0.03 0.00 0.73 0.00 0.00 38.32 40.14 1wgw h ASN 33 CO -0.91 -0.61 -0.45 0.00 -1.29 0.00 0.00 177.43 174.17 1wgw h ALA 34 N -0.74 -1.02 -0.59 1.57 0.00 0.55 -2.18 119.26 116.85 1wgw h ALA 34 Ca -0.04 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1wgw h ALA 34 Cb 0.81 0.76 -0.11 0.00 0.00 0.00 0.00 17.79 19.25 1wgw h ALA 34 CO -0.17 -1.09 -0.15 1.98 0.00 0.00 0.00 179.25 179.82 1wgw h MET 35 N -0.75 -0.01 -0.82 0.00 1.85 0.24 -0.79 114.93 114.65 1wgw h MET 35 Ca -0.03 0.00 0.11 0.00 -0.61 0.00 0.00 59.70 59.17 1wgw h MET 35 Cb 0.70 0.00 -0.13 0.00 0.43 0.00 0.00 31.60 32.61 1wgw h MET 35 CO -0.16 -0.00 -0.46 -0.07 -0.40 0.00 0.00 176.91 175.82 1wgw h LEU 36 N -0.01 -1.65 -0.49 3.39 3.38 0.26 0.18 115.31 120.36 1wgw h LEU 36 Ca 0.28 0.29 0.06 0.00 0.09 0.00 0.00 57.88 58.60 1wgw h LEU 36 Cb 0.44 0.78 -0.09 0.00 0.09 0.00 0.00 40.66 41.88 1wgw h LEU 36 CO -0.61 -0.29 -0.55 0.50 0.09 0.00 0.00 178.44 177.57 1wgw h LYS 37 N -0.10 -0.32 -1.15 1.13 3.11 -0.55 1.72 116.57 120.41 1wgw h LYS 37 Ca 0.23 0.02 0.32 0.00 -2.81 0.00 0.00 60.65 58.42 1wgw h LYS 37 Cb 0.54 0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 31.76 1wgw h LYS 37 CO -0.85 -0.22 0.78 0.93 -2.81 0.00 0.00 179.45 177.29 1wgw h GLU 38 N -0.34 0.18 0.04 1.90 4.39 -0.51 0.38 114.58 120.61 1wgw h GLU 38 Ca 0.09 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1wgw h GLU 38 Cb 0.57 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1wgw h GLU 38 CO -0.65 0.12 -0.02 0.28 -1.16 0.00 0.00 179.01 177.58 1wgw h VAL 39 N 0.18 0.06 -0.87 3.13 2.07 0.27 -3.25 116.25 117.83 1wgw h VAL 39 Ca 0.61 -1.00 0.13 0.00 0.82 0.00 0.00 66.70 67.26 1wgw h VAL 39 Cb 2.00 0.11 -0.14 0.00 -1.52 0.00 0.00 31.29 31.73 1wgw h VAL 39 CO -0.18 0.02 -0.41 0.00 0.02 0.00 0.00 177.57 177.01 1wgw h THR 41 N -0.06 0.05 -0.69 0.00 2.02 -0.44 1.03 112.91 114.82 1wgw h THR 41 Ca 0.28 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.61 1wgw h THR 41 Cb 0.56 0.05 -0.12 0.00 -1.74 0.00 0.00 68.15 66.90 1wgw h THR 41 CO -0.89 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.00 1wgw h ALA 42 N 1.94 0.69 -0.87 6.16 0.00 0.41 1.62 119.26 129.21 1wgw h ALA 42 Ca 0.45 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1wgw h ALA 42 Cb 0.69 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1wgw h ALA 42 CO -0.98 -0.40 0.56 -0.07 0.00 0.00 0.00 179.25 178.35 1wgw h LEU 43 N 0.11 1.02 -0.75 0.00 -0.00 0.13 -0.13 115.31 115.70 1wgw h LEU 43 Ca 0.37 -0.04 -0.11 0.00 -0.00 0.00 0.00 57.88 58.09 1wgw h LEU 43 Cb 0.62 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1wgw h LEU 43 CO -0.60 0.76 -0.27 -0.07 -0.00 0.00 0.00 178.44 178.27 1wgw h LEU 44 N 1.19 0.67 0.00 1.67 3.38 0.16 -1.45 115.31 120.93 1wgw h LEU 44 Ca 0.32 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wgw h LEU 44 Cb -0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1wgw h LEU 44 CO -0.06 0.91 0.00 -0.62 0.09 0.00 0.00 178.44 178.76 1wgw n GLU 45 N -4.10 0.92 0.00 1.13 1.02 0.50 -4.36 120.64 115.75 1wgw n GLU 45 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1wgw n GLU 45 Cb 0.44 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1wgw n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wgw n ALA 46 N -0.89 0.33 -2.68 0.62 0.00 -0.16 -5.02 120.51 112.70 1wgw n ALA 46 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.57 1wgw n ALA 46 Cb 0.08 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.58 1wgw n ALA 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wgw n ASP 47 N 0.00 -1.71 -3.97 0.00 9.92 -0.81 -5.09 116.55 114.89 1wgw n ASP 47 Ca 0.00 -1.72 -0.09 0.00 -0.53 0.00 0.00 54.79 52.45 1wgw n ASP 47 Cb 0.00 0.93 -0.11 0.00 -0.64 0.00 0.00 41.12 41.30 1wgw n ASP 47 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wgw s VAL 48 N 0.57 0.10 0.51 2.53 1.01 -1.17 -5.04 120.40 118.92 1wgw s VAL 48 Ca 0.26 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1wgw s VAL 48 Cb 0.16 -0.26 -0.07 0.00 0.00 0.00 0.00 36.38 36.21 1wgw s VAL 48 CO -0.11 -0.48 1.05 0.21 0.00 0.00 0.00 175.10 175.77 1wgw s ASN 49 N -1.40 6.21 0.23 3.32 2.47 -1.26 -4.75 114.94 119.75 1wgw s ASN 49 Ca -0.15 1.91 -0.07 0.00 0.42 0.00 0.00 52.86 54.96 1wgw s ASN 49 Cb -0.10 -2.55 0.19 0.00 -1.45 0.00 0.00 41.25 37.34 1wgw s ASN 49 CO -0.01 -0.87 1.84 -0.29 -3.72 0.00 0.00 177.10 174.05 1wgw h ILE 50 N 1.31 1.26 -0.86 -5.21 6.09 -2.00 0.62 117.51 118.72 1wgw h ILE 50 Ca -0.49 -0.67 -0.03 0.00 -1.37 0.00 0.00 64.86 62.30 1wgw h ILE 50 Cb 1.22 0.10 -0.04 0.00 0.47 0.00 0.00 36.82 38.58 1wgw h ILE 50 CO 0.59 0.30 0.42 0.11 -3.07 0.00 0.00 178.15 176.49 1wgw h LYS 51 N 1.22 1.24 -0.02 2.19 6.56 -1.97 0.18 116.57 125.97 1wgw h LYS 51 Ca 0.30 -0.18 -0.01 0.00 -1.06 0.00 0.00 60.65 59.70 1wgw h LYS 51 Cb 0.06 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 31.50 1wgw h LYS 51 CO -0.05 0.94 -0.03 -0.07 -2.06 0.00 0.00 179.45 178.19 1wgw h LEU 52 N 1.22 0.06 -2.37 2.94 3.38 -1.72 0.12 115.31 118.95 1wgw h LEU 52 Ca 0.30 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1wgw h LEU 52 Cb 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wgw h LEU 52 CO -0.04 0.59 0.13 0.58 0.09 0.00 0.00 178.44 179.79 1wgw h VAL 53 N -0.46 0.42 0.00 1.22 2.07 0.46 0.69 116.25 120.65 1wgw h VAL 53 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1wgw h VAL 53 Cb 0.57 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1wgw h VAL 53 CO 0.01 0.00 -1.03 0.29 0.02 0.00 0.00 177.57 176.86 1wgw n LYS 54 N -3.70 0.61 0.05 1.57 5.02 0.61 -3.41 118.16 118.90 1wgw n LYS 54 Ca -0.00 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 1wgw n LYS 54 Cb 0.23 -1.83 0.17 0.00 -0.02 0.00 0.00 35.03 33.58 1wgw n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgw n GLN 55 N -2.69 0.25 -0.07 1.97 10.64 0.20 -3.98 117.38 123.71 1wgw n GLN 55 Ca -0.01 0.07 -0.09 0.00 -1.83 0.00 0.00 57.00 55.15 1wgw n GLN 55 Cb 0.57 -1.65 -0.07 0.00 -0.86 0.00 0.00 30.24 28.23 1wgw n GLN 55 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1wgw h LEU 56 N 0.00 0.00 -0.97 2.61 6.46 -0.33 -2.98 115.31 120.10 1wgw h LEU 56 Ca 0.00 -0.44 0.16 0.00 -0.12 0.00 0.00 57.88 57.49 1wgw h LEU 56 Cb 0.71 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.48 1wgw h LEU 56 CO 0.00 0.85 -0.34 0.08 -0.62 0.00 0.00 178.44 178.41 1wgw h ARG 57 N -1.00 -0.01 0.71 1.25 0.11 -1.71 0.86 114.38 114.59 1wgw h ARG 57 Ca -0.05 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.00 1wgw h ARG 57 Cb 0.61 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.70 1wgw h ARG 57 CO -0.03 -0.01 -0.35 1.05 0.10 0.00 0.00 179.97 180.74 1wgw h GLU 58 N -0.01 -0.93 -1.00 0.08 4.11 -1.71 0.30 114.58 115.41 1wgw h GLU 58 Ca 0.38 0.06 0.28 0.00 0.07 0.00 0.00 59.36 60.15 1wgw h GLU 58 Cb 0.63 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 1wgw h GLU 58 CO -0.98 -0.62 0.70 -0.91 0.07 0.00 0.00 179.01 177.28 1wgw h ASN 59 N -0.96 0.11 0.06 3.06 2.35 -0.68 0.62 115.58 120.13 1wgw h ASN 59 Ca -0.10 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1wgw h ASN 59 Cb 0.74 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1wgw h ASN 59 CO 0.15 0.03 -0.03 0.58 -1.65 0.00 0.00 177.43 176.51 1wgw h VAL 60 N 0.10 0.00 -1.12 2.81 2.07 0.15 -1.28 116.25 118.98 1wgw h VAL 60 Ca 0.50 -0.14 0.35 0.00 0.82 0.00 0.00 66.70 68.23 1wgw h VAL 60 Cb 1.79 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.43 1wgw h VAL 60 CO -0.07 0.00 0.69 0.11 0.02 0.00 0.00 177.57 178.33 1wgw h LYS 61 N -0.23 0.23 -0.50 1.57 1.57 0.26 1.49 116.57 120.97 1wgw h LYS 61 Ca -0.01 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1wgw h LYS 61 Cb 0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1wgw h LYS 61 CO 0.01 0.15 -0.04 0.77 -0.57 0.00 0.00 179.45 179.77 1wgw h SER 62 N 0.24 0.91 -0.08 0.86 0.02 0.16 -1.98 113.55 113.68 1wgw h SER 62 Ca 0.74 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1wgw h SER 62 Cb 1.99 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 64.28 1wgw h SER 62 CO -0.48 1.02 0.16 0.00 -1.14 0.00 0.00 176.83 176.38 1wgw h ALA 63 N 0.92 1.45 -3.00 3.77 0.00 0.33 -3.41 119.26 119.33 1wgw h ALA 63 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wgw h ALA 63 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wgw h ALA 63 CO 0.03 -0.19 0.00 -0.89 0.00 0.00 0.00 179.25 178.20 1wgw n ILE 64 N -3.41 0.00 0.00 0.00 2.08 -0.74 -5.06 119.36 112.23 1wgw n ILE 64 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1wgw n ILE 64 Cb 0.24 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.13 1wgw n ILE 64 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1wgw n ASP 65 N 0.00 0.00 -0.08 4.38 -0.08 -1.25 -5.02 116.55 114.50 1wgw n ASP 65 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1wgw n ASP 65 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 1wgw n ASP 65 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1wgw h LEU 66 N 0.00 0.00 -0.87 -2.67 3.38 -1.95 -3.37 115.31 109.83 1wgw h LEU 66 Ca 0.00 -0.55 0.16 0.00 0.09 0.00 0.00 57.88 57.58 1wgw h LEU 66 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 1wgw h LEU 66 CO 0.00 1.07 -0.26 -1.84 0.09 0.00 0.00 178.44 177.50 1wgw n GLU 67 N -4.57 -0.12 0.00 1.13 -0.00 -1.26 -4.39 120.64 111.43 1wgw n GLU 67 Ca -0.16 1.35 0.00 0.00 -0.00 0.00 0.00 57.16 58.35 1wgw n GLU 67 Cb 0.45 -2.01 0.00 0.00 -0.00 0.00 0.00 31.44 29.88 1wgw n GLU 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1wgw n GLU 68 N -5.37 3.50 -2.29 3.44 2.13 -1.26 -5.00 120.64 115.80 1wgw n GLU 68 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1wgw n GLU 68 Cb 0.40 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.11 1wgw n GLU 68 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1wgw n MET 69 N 0.00 -4.31 0.00 5.31 2.81 -1.26 -4.87 117.12 114.79 1wgw n MET 69 Ca 0.00 3.12 0.00 0.00 -1.81 0.00 0.00 57.70 59.01 1wgw n MET 69 Cb 0.00 -3.97 0.00 0.00 -0.71 0.00 0.00 33.22 28.54 1wgw n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wgw n ALA 70 N 1.89 0.00 -1.77 3.04 0.00 -1.26 -4.47 120.51 117.94 1wgw n ALA 70 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1wgw n ALA 70 Cb 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 1wgw n ALA 70 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wgw s SER 71 N -2.78 7.37 -0.79 0.00 1.04 -1.26 -4.97 113.70 112.32 1wgw s SER 71 Ca 0.00 1.97 -0.00 0.00 0.48 0.00 0.00 55.95 58.40 1wgw s SER 71 Cb 0.00 -2.60 0.36 0.00 0.10 0.00 0.00 66.02 63.88 1wgw s SER 71 CO 0.00 -0.05 1.78 0.61 0.98 0.00 0.00 173.24 176.57 1wgw n GLY 72 N 0.97 5.70 0.85 7.32 0.00 -1.26 -4.53 105.19 114.24 1wgw n GLY 72 Ca 0.00 -2.56 -0.02 0.00 0.00 0.00 0.00 46.02 43.44 1wgw n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wgw n LEU 73 N -0.45 1.19 -0.47 0.99 4.32 -1.26 -4.65 117.00 116.68 1wgw n LEU 73 Ca 0.49 0.17 0.39 0.00 -0.02 0.00 0.00 56.01 57.04 1wgw n LEU 73 Cb 0.32 -0.40 0.67 0.00 -1.62 0.00 0.00 43.42 42.40 1wgw n LEU 73 CO 0.47 -0.57 1.26 0.78 -1.22 0.00 0.00 177.39 178.10 1wgw h ASN 74 N -0.21 0.21 -0.03 -1.43 2.35 -2.00 -0.14 115.58 114.34 1wgw h ASN 74 Ca -0.02 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1wgw h ASN 74 Cb 0.31 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1wgw h ASN 74 CO -0.01 -0.19 -0.02 0.11 -1.65 0.00 0.00 177.43 175.67 1wgw h LYS 75 N 0.06 -0.00 -0.84 0.81 6.56 -1.85 1.77 116.57 123.07 1wgw h LYS 75 Ca 0.84 0.00 0.24 0.00 -1.06 0.00 0.00 60.65 60.68 1wgw h LYS 75 Cb 2.73 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 34.35 1wgw h LYS 75 CO -0.39 -0.00 0.86 0.07 -2.06 0.00 0.00 179.45 177.92 1wgw h ARG 76 N -0.00 0.00 0.00 3.15 0.11 -1.31 1.54 114.38 117.87 1wgw h ARG 76 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wgw h ARG 76 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1wgw h ARG 76 CO -0.03 0.00 0.00 1.17 0.10 0.00 0.00 179.97 181.21 1wgw n LYS 77 N -3.59 0.00 -0.05 0.08 4.81 0.49 -2.81 118.16 117.09 1wgw n LYS 77 Ca 0.18 0.42 0.24 0.00 -0.87 0.00 0.00 58.31 58.28 1wgw n LYS 77 Cb 1.13 -0.93 0.72 0.00 0.02 0.00 0.00 35.03 35.97 1wgw n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wgw h MET 78 N 0.00 0.00 0.32 1.64 -0.00 0.26 -0.12 114.93 117.03 1wgw h MET 78 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1wgw h MET 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1wgw h MET 78 CO 0.00 0.00 -0.15 0.82 -0.00 0.00 0.00 176.91 177.58 1wgw h ILE 79 N 0.00 0.71 -1.70 -0.10 2.04 0.20 0.42 117.51 119.09 1wgw h ILE 79 Ca 0.31 -0.35 0.53 0.00 1.00 0.00 0.00 64.86 66.35 1wgw h ILE 79 Cb 1.38 0.90 -0.11 0.00 -0.74 0.00 0.00 36.82 38.25 1wgw h ILE 79 CO -0.00 0.07 1.17 1.67 0.00 0.00 0.00 178.15 181.06 1wgw n GLN 80 N -5.19 -0.02 -0.09 2.37 7.27 -0.06 0.02 117.38 121.68 1wgw n GLN 80 Ca -0.10 1.16 -0.13 0.00 0.07 0.00 0.00 57.00 57.99 1wgw n GLN 80 Cb 0.24 -2.48 -0.06 0.00 2.41 0.00 0.00 30.24 30.35 1wgw n GLN 80 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1wgw n HIS 81 N -4.28 0.94 -0.38 3.69 -0.00 -0.94 -3.96 115.22 110.30 1wgw n HIS 81 Ca 0.42 0.41 -0.08 0.00 0.46 0.00 0.00 57.72 58.93 1wgw n HIS 81 Cb 1.81 -0.93 -0.06 0.00 -0.12 0.00 0.00 29.99 30.69 1wgw n HIS 81 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wgw h ALA 82 N -0.77 -0.36 -0.41 1.57 0.00 0.29 0.30 119.26 119.88 1wgw h ALA 82 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wgw h ALA 82 Cb 0.91 1.23 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1wgw h ALA 82 CO -0.11 -0.87 0.00 0.28 0.00 0.00 0.00 179.25 178.55 1wgw n VAL 83 N -5.33 0.00 -0.36 0.00 0.31 0.10 0.32 118.33 113.38 1wgw n VAL 83 Ca 0.04 1.43 0.27 0.00 -0.01 0.00 0.00 64.34 66.07 1wgw n VAL 83 Cb 0.31 -1.98 0.53 0.00 -0.91 0.00 0.00 33.84 31.79 1wgw n VAL 83 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1wgw h PHE 84 N 0.00 0.79 -1.00 3.52 -1.00 -1.35 1.26 116.94 119.16 1wgw h PHE 84 Ca 0.00 0.03 0.11 0.00 2.81 0.00 0.00 57.97 60.92 1wgw h PHE 84 Cb 0.00 -0.21 -0.08 0.00 3.61 0.00 0.00 35.95 39.27 1wgw h PHE 84 CO -0.72 -0.15 0.63 -0.22 -1.61 0.00 0.00 178.31 176.24 1wgw h LYS 85 N 0.27 0.99 0.00 1.51 1.63 0.36 1.36 116.57 122.69 1wgw h LYS 85 Ca 0.74 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.48 1wgw h LYS 85 Cb 1.88 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 33.28 1wgw h LYS 85 CO -0.52 0.66 0.00 0.93 -3.45 0.00 0.00 179.45 177.07 1wgw h GLU 86 N 1.02 0.00 0.00 1.90 3.07 0.32 -3.35 114.58 117.54 1wgw h GLU 86 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1wgw h GLU 86 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1wgw h GLU 86 CO -0.24 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.65 1wgw n LEU 87 N -2.53 0.05 -1.06 1.33 4.77 0.23 -4.93 117.00 114.85 1wgw n LEU 87 Ca 0.02 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1wgw n LEU 87 Cb 0.27 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1wgw n LEU 87 CO 0.23 -0.21 -0.13 0.52 -1.33 0.00 0.00 177.39 176.47 1wgw n VAL 88 N -1.90 0.00 0.00 4.08 0.31 0.40 -4.61 118.33 116.61 1wgw n VAL 88 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1wgw n VAL 88 Cb 0.00 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1wgw n VAL 88 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1wgw n LYS 89 N -1.25 0.00 0.34 5.55 4.76 -1.26 -4.81 118.16 121.48 1wgw n LYS 89 Ca -0.13 0.00 0.17 0.00 -2.87 0.00 0.00 58.31 55.48 1wgw n LYS 89 Cb 0.59 0.00 0.92 0.00 -1.84 0.00 0.00 35.03 34.71 1wgw n LYS 89 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1wgw h VAL 90 N 0.00 0.00 -1.71 -0.18 -1.51 -1.82 -3.40 116.25 107.64 1wgw h VAL 90 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.50 1wgw h VAL 90 Cb 0.00 0.75 -0.24 0.00 -2.13 0.00 0.00 31.29 29.67 1wgw h VAL 90 CO 0.00 0.00 0.38 -0.54 -1.23 0.00 0.00 177.57 176.18 1wgw s LYS 91 N -4.12 0.63 0.04 5.19 -0.14 -1.26 -4.03 119.74 116.06 1wgw s LYS 91 Ca -0.04 0.60 -0.05 0.00 -1.36 0.00 0.00 55.97 55.12 1wgw s LYS 91 Cb 0.10 0.30 -0.01 0.00 -1.68 0.00 0.00 37.83 36.54 1wgw s LYS 91 CO 0.31 -0.11 0.08 0.54 -0.76 0.00 0.00 175.35 175.42 1wgw s VAL 92 N -0.02 0.14 1.15 3.17 0.11 -1.26 -2.88 120.40 120.81 1wgw s VAL 92 Ca 0.01 -1.17 -0.17 0.00 -2.93 0.00 0.00 61.98 57.72 1wgw s VAL 92 Cb -0.04 -0.96 0.17 0.00 -1.53 0.00 0.00 36.38 34.02 1wgw s VAL 92 CO -0.02 -0.64 0.30 0.00 -3.33 0.00 0.00 175.10 171.40 1wgw n TYR 93 N 0.69 -1.54 -3.72 1.54 0.18 -1.26 -5.00 117.16 108.04 1wgw n TYR 93 Ca -0.18 0.01 -0.30 0.00 1.88 0.00 0.00 57.90 59.31 1wgw n TYR 93 Cb 0.59 -1.57 -0.15 0.00 -0.38 0.00 0.00 39.34 37.83 1wgw n TYR 93 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1wgw s SER 94 N -2.02 3.96 0.00 9.48 0.15 -1.26 -5.06 113.70 118.95 1wgw s SER 94 Ca 0.59 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 55.48 1wgw s SER 94 Cb -0.15 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1wgw s SER 94 CO 0.64 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1wgw n GLY 95 N 4.69 2.67 2.34 9.45 0.00 -1.26 -4.79 105.19 118.28 1wgw n GLY 95 Ca -0.00 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.10 1wgw n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgw n PRO 96 N 0.89 2.27 -3.42 1.61 -0.04 -1.26 -4.66 135.00 130.40 1wgw n PRO 96 Ca 0.00 -1.36 -0.34 0.00 -0.04 0.00 0.00 63.50 61.75 1wgw n PRO 96 Cb 0.00 -2.31 0.03 0.00 -0.04 0.00 0.00 33.50 31.18 1wgw n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgw n SER 97 N 3.41 -5.86 -4.57 3.54 2.88 -1.26 -4.60 113.62 107.15 1wgw n SER 97 Ca 0.48 -0.07 -0.18 0.00 -1.33 0.00 0.00 58.87 57.78 1wgw n SER 97 Cb 0.38 -2.22 -0.09 0.00 -0.75 0.00 0.00 64.21 61.53 1wgw n SER 97 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgw s SER 98 N -1.67 3.93 0.00 -3.46 0.01 -1.26 -5.25 113.70 106.00 1wgw s SER 98 Ca 0.36 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1wgw s SER 98 Cb -0.04 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1wgw s SER 98 CO 0.86 -4.15 0.00 0.61 0.41 0.00 0.00 173.24 170.97