#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgw s SER 2 N 0.00 -0.34 0.00 1.61 0.15 -1.26 -5.16 113.70 108.71 1wgw s SER 2 Ca 0.00 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1wgw s SER 2 Cb 0.00 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1wgw s SER 2 CO 0.00 -0.09 0.00 -1.20 1.20 0.00 0.00 173.24 173.15 1wgw n SER 3 N 2.90 0.00 0.00 5.45 7.64 -1.26 -5.18 113.62 123.17 1wgw n SER 3 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1wgw n SER 3 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1wgw n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgw n GLY 4 N 0.00 1.55 3.57 0.23 0.00 -1.26 -5.14 105.19 104.14 1wgw n GLY 4 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1wgw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgw s SER 5 N 0.00 -0.21 0.00 1.61 0.15 -1.26 -5.00 113.70 108.99 1wgw s SER 5 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1wgw s SER 5 Cb 0.00 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1wgw s SER 5 CO 0.00 -0.35 0.00 -1.20 1.20 0.00 0.00 173.24 172.89 1wgw n SER 6 N -0.11 0.00 0.00 5.45 7.64 -1.26 -4.47 113.62 120.87 1wgw n SER 6 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1wgw n SER 6 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1wgw n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgw n GLY 7 N 0.00 -1.49 5.64 0.23 0.00 -1.26 -5.06 105.19 103.26 1wgw n GLY 7 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 0.00 -0.43 4.61 0.00 -1.26 -4.21 120.51 119.22 1wgw n ALA 8 Ca 0.00 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.84 1wgw n ALA 8 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.21 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 0.02 0.18 0.00 3.32 -1.97 0.11 116.42 118.08 1wgw h ASP 9 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1wgw h ASP 9 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1wgw h ASP 9 CO 0.00 -0.00 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.35 1wgw h LEU 10 N 0.02 -0.23 -1.84 1.55 3.38 -1.96 -1.04 115.31 115.19 1wgw h LEU 10 Ca 0.68 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.66 1wgw h LEU 10 Cb 2.66 0.06 0.00 0.00 0.09 0.00 0.00 40.66 43.48 1wgw h LEU 10 CO -0.03 -0.15 0.35 1.23 0.09 0.00 0.00 178.44 179.93 1wgw h GLY 11 N -0.25 0.00 1.39 0.83 0.00 -1.38 0.48 103.07 104.14 1wgw h GLY 11 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 1wgw h GLY 11 CO 0.03 0.00 -0.86 3.21 0.00 0.00 0.00 176.54 178.92 1wgw h ARG 12 N 0.00 0.57 -0.30 4.80 2.47 -0.55 1.09 114.38 122.47 1wgw h ARG 12 Ca 0.00 -0.53 -0.08 0.00 -1.26 0.00 0.00 59.98 58.10 1wgw h ARG 12 Cb 0.70 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.14 1wgw h ARG 12 CO 0.00 1.16 -0.17 0.87 0.56 0.00 0.00 179.97 182.38 1wgw h LYS 13 N 0.36 0.53 0.07 0.04 1.57 0.12 -2.45 116.57 116.81 1wgw h LYS 13 Ca -0.07 -0.17 -0.19 0.00 -1.87 0.00 0.00 60.65 58.35 1wgw h LYS 13 Cb 1.48 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1wgw h LYS 13 CO 0.16 0.68 -0.97 0.82 -0.57 0.00 0.00 179.45 179.58 1wgw h ILE 14 N 0.48 1.25 -1.23 1.86 2.04 -1.43 -3.21 117.51 117.28 1wgw h ILE 14 Ca 0.08 -2.36 0.37 0.00 1.00 0.00 0.00 64.86 63.96 1wgw h ILE 14 Cb 0.58 2.83 -0.11 0.00 -0.74 0.00 0.00 36.82 39.38 1wgw h ILE 14 CO 0.04 0.60 0.80 0.74 0.00 0.00 0.00 178.15 180.32 1wgw h THR 15 N -0.63 0.27 -0.09 -0.27 2.02 0.13 1.18 112.91 115.52 1wgw h THR 15 Ca -0.22 -0.06 -0.24 0.00 0.77 0.00 0.00 66.41 66.66 1wgw h THR 15 Cb 1.47 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1wgw h THR 15 CO -0.00 0.03 -0.88 -1.28 0.37 0.00 0.00 175.52 173.76 1wgw h SER 16 N 0.18 0.93 0.39 4.18 0.87 -1.54 -2.59 113.55 115.97 1wgw h SER 16 Ca 0.73 -0.67 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1wgw h SER 16 Cb 2.21 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 63.88 1wgw h SER 16 CO -0.34 1.47 -0.29 0.00 -0.53 0.00 0.00 176.83 177.13 1wgw h ALA 17 N 0.49 -1.06 -0.04 6.23 0.00 0.13 -0.05 119.26 124.96 1wgw h ALA 17 Ca -0.08 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1wgw h ALA 17 Cb 1.52 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 1wgw h ALA 17 CO 0.18 -1.05 0.30 -0.07 0.00 0.00 0.00 179.25 178.61 1wgw h LEU 18 N -0.65 0.00 -0.08 0.00 3.38 -1.23 0.14 115.31 116.87 1wgw h LEU 18 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1wgw h LEU 18 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1wgw h LEU 18 CO 0.02 0.00 -0.09 -0.09 0.09 0.00 0.00 178.44 178.37 1wgw h ARG 19 N 0.00 0.20 -1.07 1.13 2.43 -0.66 -2.85 114.38 113.57 1wgw h ARG 19 Ca 0.02 -0.11 0.30 0.00 -0.81 0.00 0.00 59.98 59.37 1wgw h ARG 19 Cb 0.62 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.06 1wgw h ARG 19 CO -0.00 0.65 0.67 1.03 -1.51 0.00 0.00 179.97 180.81 1wgw h SER 20 N -0.23 0.48 0.41 -3.80 0.87 0.89 0.14 113.55 112.31 1wgw h SER 20 Ca 0.01 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1wgw h SER 20 Cb 0.62 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1wgw h SER 20 CO 0.02 0.01 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.07 1wgw h LEU 21 N 0.38 -0.47 -1.59 2.23 3.38 -1.52 -1.53 115.31 116.18 1wgw h LEU 21 Ca 0.66 -0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.67 1wgw h LEU 21 Cb 1.64 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 1wgw h LEU 21 CO -0.40 -0.12 0.69 0.28 0.09 0.00 0.00 178.44 178.97 1wgw h SER 22 N -0.86 0.00 -0.83 -0.43 0.02 -0.55 1.09 113.55 112.00 1wgw h SER 22 Ca -0.06 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.33 1wgw h SER 22 Cb 0.55 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.67 1wgw h SER 22 CO 0.09 0.00 -0.72 0.59 -1.14 0.00 0.00 176.83 175.65 1wgw n ASN 23 N -3.37 5.06 -4.09 3.07 3.02 -0.40 -4.99 115.26 113.56 1wgw n ASN 23 Ca 0.10 -3.75 -0.25 0.00 -0.03 0.00 0.00 54.58 50.65 1wgw n ASN 23 Cb 0.87 -0.38 -0.16 0.00 -0.61 0.00 0.00 39.78 39.49 1wgw n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wgw s ALA 24 N -3.61 1.42 -0.51 5.41 0.00 0.38 -4.92 121.76 119.92 1wgw s ALA 24 Ca 0.51 -0.58 0.20 0.00 0.00 0.00 0.00 51.96 52.10 1wgw s ALA 24 Cb 0.41 -0.53 -0.26 0.00 0.00 0.00 0.00 23.12 22.74 1wgw s ALA 24 CO 0.02 0.21 0.66 2.41 0.00 0.00 0.00 175.76 179.05 1wgw n THR 25 N 3.43 0.00 0.00 0.00 -1.04 -1.26 -4.63 114.28 110.79 1wgw n THR 25 Ca -0.20 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1wgw n THR 25 Cb 0.53 0.56 0.00 0.00 -1.82 0.00 0.00 70.33 69.59 1wgw n THR 25 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1wgw n ILE 26 N -1.81 0.00 -2.65 12.58 2.08 -1.26 -5.04 119.36 123.26 1wgw n ILE 26 Ca 0.00 0.48 -0.04 0.00 0.56 0.00 0.00 62.75 63.75 1wgw n ILE 26 Cb 0.41 -1.16 -0.03 0.00 -0.75 0.00 0.00 39.64 38.10 1wgw n ILE 26 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1wgw n ILE 27 N -1.42-12.33 -3.76 1.39 2.08 -1.26 -5.05 119.36 99.01 1wgw n ILE 27 Ca 0.00 2.48 -0.07 0.00 0.56 0.00 0.00 62.75 65.72 1wgw n ILE 27 Cb 0.00 -6.52 0.03 0.00 -0.75 0.00 0.00 39.64 32.39 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 1.49 -1.99 -0.19 4.38 0.23 -1.26 -4.98 115.26 112.94 1wgw n ASN 28 Ca -0.31 -2.31 0.29 0.00 -0.53 0.00 0.00 54.58 51.72 1wgw n ASN 28 Cb 0.48 3.30 0.73 0.00 -2.08 0.00 0.00 39.78 42.21 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 0.00 0.42 -3.83 4.81 -1.97 -1.45 114.58 112.55 1wgw h GLU 29 Ca -0.29 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1wgw h GLU 29 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1wgw h GLU 29 CO 0.38 0.00 -0.20 1.49 -0.73 0.00 0.00 179.01 179.95 1wgw h GLU 30 N 0.00 -0.54 -0.97 1.92 4.57 -1.98 -0.56 114.58 117.02 1wgw h GLU 30 Ca 0.44 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.80 1wgw h GLU 30 Cb 1.81 0.12 -0.15 0.00 -0.16 0.00 0.00 28.75 30.37 1wgw h GLU 30 CO -0.00 -0.36 -0.43 0.28 -1.18 0.00 0.00 179.01 177.32 1wgw h VAL 31 N -0.84 0.01 -0.28 0.32 2.07 -1.67 1.32 116.25 117.18 1wgw h VAL 31 Ca -0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1wgw h VAL 31 Cb 0.43 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1wgw h VAL 31 CO 0.09 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.92 1wgw h LEU 32 N -0.01 -0.14 0.46 2.57 6.46 -1.46 1.38 115.31 124.56 1wgw h LEU 32 Ca 0.30 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.12 1wgw h LEU 32 Cb 0.56 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1wgw h LEU 32 CO -0.96 -0.03 -0.45 0.78 -0.62 0.00 0.00 178.44 177.16 1wgw h ASN 33 N 0.07 -1.21 0.46 1.25 2.35 0.23 0.71 115.58 119.44 1wgw h ASN 33 Ca 0.14 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1wgw h ASN 33 Cb 0.18 0.40 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1wgw h ASN 33 CO -0.24 -0.61 -0.38 0.00 -1.65 0.00 0.00 177.43 174.55 1wgw h ALA 34 N -0.64 -1.10 -0.86 -0.83 0.00 0.17 -2.25 119.26 113.74 1wgw h ALA 34 Ca -0.05 -0.16 0.22 0.00 0.00 0.00 0.00 54.91 54.92 1wgw h ALA 34 Cb 0.80 0.58 -0.15 0.00 0.00 0.00 0.00 17.79 19.02 1wgw h ALA 34 CO -0.06 -1.11 0.09 1.98 0.00 0.00 0.00 179.25 180.16 1wgw h MET 35 N -0.82 0.11 -0.31 0.00 1.85 0.19 0.18 114.93 116.14 1wgw h MET 35 Ca -0.06 -0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.09 1wgw h MET 35 Cb 0.69 -0.03 -0.08 0.00 0.43 0.00 0.00 31.60 32.61 1wgw h MET 35 CO -0.01 0.07 -0.36 -0.07 -0.40 0.00 0.00 176.91 176.15 1wgw h LEU 36 N 0.12 -1.18 -0.83 3.39 3.38 0.92 0.24 115.31 121.35 1wgw h LEU 36 Ca 0.51 0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.86 1wgw h LEU 36 Cb 1.00 0.52 -0.15 0.00 0.09 0.00 0.00 40.66 42.12 1wgw h LEU 36 CO -0.73 -0.36 -0.06 0.50 0.09 0.00 0.00 178.44 177.88 1wgw h LYS 37 N -0.33 0.05 -0.33 1.13 3.64 -0.08 1.76 116.57 122.41 1wgw h LYS 37 Ca 0.14 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1wgw h LYS 37 Cb 0.56 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1wgw h LYS 37 CO -0.49 0.03 -0.00 0.93 -2.27 0.00 0.00 179.45 177.65 1wgw h GLU 38 N 0.05 0.51 0.06 1.90 4.39 -0.50 0.17 114.58 121.15 1wgw h GLU 38 Ca 0.45 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1wgw h GLU 38 Cb 0.79 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1wgw h GLU 38 CO -0.79 0.54 -0.03 0.28 -1.16 0.00 0.00 179.01 177.86 1wgw h VAL 39 N 0.49 0.00 -1.30 3.13 2.07 0.51 -2.96 116.25 118.19 1wgw h VAL 39 Ca 0.11 -0.14 0.43 0.00 0.82 0.00 0.00 66.70 67.91 1wgw h VAL 39 Cb 0.32 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.97 1wgw h VAL 39 CO 0.01 0.00 0.83 0.00 0.02 0.00 0.00 177.57 178.43 1wgw h THR 41 N 0.10 0.85 -0.72 0.00 2.02 -0.99 0.19 112.91 114.36 1wgw h THR 41 Ca 0.81 -0.03 0.16 0.00 0.77 0.00 0.00 66.41 68.12 1wgw h THR 41 Cb 2.52 0.76 -0.12 0.00 -1.74 0.00 0.00 68.15 69.56 1wgw h THR 41 CO -0.43 0.02 0.04 0.00 0.37 0.00 0.00 175.52 175.52 1wgw h ALA 42 N 1.19 0.78 0.29 6.16 0.00 0.20 1.43 119.26 129.30 1wgw h ALA 42 Ca 0.11 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1wgw h ALA 42 Cb 0.13 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1wgw h ALA 42 CO -0.17 -0.40 -0.14 -0.07 0.00 0.00 0.00 179.25 178.47 1wgw h LEU 43 N 0.14 -0.33 -2.06 0.00 -0.00 -1.17 -2.33 115.31 109.56 1wgw h LEU 43 Ca 0.39 -0.15 0.11 0.00 -0.00 0.00 0.00 57.88 58.24 1wgw h LEU 43 Cb 0.68 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 1wgw h LEU 43 CO -0.60 -0.03 0.35 -0.07 -0.00 0.00 0.00 178.44 178.09 1wgw h LEU 44 N -0.64 0.00 0.00 1.67 3.38 0.10 1.36 115.31 121.18 1wgw h LEU 44 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1wgw h LEU 44 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wgw h LEU 44 CO 0.06 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 1wgw n GLU 45 N -3.99 0.85 -0.30 1.13 1.02 0.47 -2.23 120.64 117.59 1wgw n GLU 45 Ca 0.06 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.29 1wgw n GLU 45 Cb 0.52 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.69 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 -1.02 2.35 -3.47 0.62 0.00 0.46 -4.94 120.51 114.51 1wgw n ALA 46 Ca 0.21 -1.28 -0.21 0.00 0.00 0.00 0.00 53.44 52.16 1wgw n ALA 46 Cb 0.11 -0.70 0.08 0.00 0.00 0.00 0.00 19.45 18.93 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 1.04 -5.25 -2.13 0.00 8.00 -0.95 -5.00 116.55 112.26 1wgw n ASP 47 Ca 0.19 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1wgw n ASP 47 Cb 0.56 -4.70 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 1wgw n ASP 47 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1wgw n VAL 48 N -4.63 0.00 -3.82 2.53 0.24 -1.24 -5.06 118.33 106.35 1wgw n VAL 48 Ca -0.05 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.89 1wgw n VAL 48 Cb 0.58 -1.73 -0.13 0.00 -1.47 0.00 0.00 33.84 31.08 1wgw n VAL 48 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1wgw s ASN 49 N -1.00 4.78 0.16 -1.34 3.04 -1.26 -4.98 114.94 114.34 1wgw s ASN 49 Ca 0.00 -0.40 -0.25 0.00 0.04 0.00 0.00 52.86 52.25 1wgw s ASN 49 Cb 0.00 -1.83 0.03 0.00 -1.54 0.00 0.00 41.25 37.90 1wgw s ASN 49 CO 0.00 -0.06 1.58 -0.29 -3.04 0.00 0.00 177.10 175.28 1wgw h ILE 50 N 5.69 0.12 -0.97 -5.21 -0.00 -1.97 0.49 117.51 115.67 1wgw h ILE 50 Ca -0.38 0.00 0.18 0.00 -0.00 0.00 0.00 64.86 64.66 1wgw h ILE 50 Cb 1.16 0.12 -0.17 0.00 -0.00 0.00 0.00 36.82 37.93 1wgw h ILE 50 CO 0.59 0.00 -0.30 0.11 -0.00 0.00 0.00 178.15 178.55 1wgw h LYS 51 N -0.28 -0.01 -0.02 2.19 1.79 -1.99 0.78 116.57 119.04 1wgw h LYS 51 Ca 0.16 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1wgw h LYS 51 Cb 0.57 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1wgw h LYS 51 CO -0.61 -0.00 0.01 1.37 -1.08 0.00 0.00 179.45 179.13 1wgw h LEU 52 N -0.01 0.03 -1.91 2.94 8.10 -1.13 -1.68 115.31 121.66 1wgw h LEU 52 Ca 0.42 -0.19 0.19 0.00 0.11 0.00 0.00 57.88 58.41 1wgw h LEU 52 Cb 0.66 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 40.85 1wgw h LEU 52 CO -0.99 0.22 0.60 0.58 -4.11 0.00 0.00 178.44 174.73 1wgw h VAL 53 N -0.15 0.41 -0.04 0.15 2.07 0.48 0.97 116.25 120.13 1wgw h VAL 53 Ca 0.01 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.28 1wgw h VAL 53 Cb 0.19 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1wgw h VAL 53 CO -0.00 0.00 -0.96 0.50 0.02 0.00 0.00 177.57 177.13 1wgw h LYS 54 N 0.00 0.66 0.00 1.57 3.64 0.11 -2.70 116.57 119.86 1wgw h LYS 54 Ca 0.32 -0.66 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1wgw h LYS 54 Cb 1.51 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 1wgw h LYS 54 CO -0.00 1.26 0.00 1.04 -2.27 0.00 0.00 179.45 179.48 1wgw n GLN 55 N -3.85 0.17 -0.02 1.90 1.13 0.31 -3.00 117.38 114.02 1wgw n GLN 55 Ca -0.09 0.30 -0.00 0.00 -1.94 0.00 0.00 57.00 55.27 1wgw n GLN 55 Cb 0.84 -1.77 -0.00 0.00 0.11 0.00 0.00 30.24 29.42 1wgw n GLN 55 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1wgw h LEU 56 N 0.00 0.00 -0.95 1.08 6.46 -0.66 -2.83 115.31 118.41 1wgw h LEU 56 Ca 0.00 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.89 1wgw h LEU 56 Cb 0.48 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 40.26 1wgw h LEU 56 CO 0.00 0.16 -0.43 0.08 -0.62 0.00 0.00 178.44 177.63 1wgw h ARG 57 N -0.32 -0.02 -0.20 1.25 0.11 -1.56 0.69 114.38 114.33 1wgw h ARG 57 Ca 0.00 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.14 1wgw h ARG 57 Cb 0.01 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.03 1wgw h ARG 57 CO 0.00 -0.01 -0.19 1.05 0.10 0.00 0.00 179.97 180.91 1wgw h GLU 58 N -0.02 -0.20 -0.57 0.08 -0.00 -1.71 0.96 114.58 113.12 1wgw h GLU 58 Ca 0.29 0.01 0.10 0.00 -0.00 0.00 0.00 59.36 59.76 1wgw h GLU 58 Cb 0.55 0.05 -0.03 0.00 -0.00 0.00 0.00 28.75 29.32 1wgw h GLU 58 CO -0.95 -0.14 0.38 -0.91 -0.00 0.00 0.00 179.01 177.40 1wgw h ASN 59 N -0.21 0.32 0.19 3.06 2.35 -0.08 0.79 115.58 122.01 1wgw h ASN 59 Ca 0.12 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1wgw h ASN 59 Cb 0.39 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1wgw h ASN 59 CO -0.32 0.20 -0.09 0.58 -1.65 0.00 0.00 177.43 176.14 1wgw h VAL 60 N 0.36 0.00 -0.93 2.81 2.07 0.31 -2.90 116.25 117.97 1wgw h VAL 60 Ca 0.26 -0.37 0.23 0.00 0.82 0.00 0.00 66.70 67.63 1wgw h VAL 60 Cb 0.56 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.21 1wgw h VAL 60 CO -0.07 0.00 0.47 0.11 0.02 0.00 0.00 177.57 178.10 1wgw h LYS 61 N -0.63 0.47 -0.96 1.57 1.57 0.11 0.67 116.57 119.36 1wgw h LYS 61 Ca -0.03 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1wgw h LYS 61 Cb 0.20 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.31 1wgw h LYS 61 CO 0.04 0.31 0.58 0.77 -0.57 0.00 0.00 179.45 180.58 1wgw h SER 62 N 0.48 0.80 0.28 0.86 0.02 0.54 1.14 113.55 117.66 1wgw h SER 62 Ca 0.59 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.61 1wgw h SER 62 Cb 1.10 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1wgw h SER 62 CO -0.50 0.37 0.00 0.00 -1.14 0.00 0.00 176.83 175.57 1wgw n ALA 63 N -2.36 1.30 -2.45 3.77 0.00 0.23 -4.63 120.51 116.37 1wgw n ALA 63 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1wgw n ALA 63 Cb 0.42 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1wgw n ALA 63 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wgw n ILE 64 N -2.02 0.00 0.00 0.00 2.08 0.39 -5.10 119.36 114.72 1wgw n ILE 64 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1wgw n ILE 64 Cb 0.10 -0.28 0.00 0.00 -0.75 0.00 0.00 39.64 38.71 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 0.03 4.38 -0.08 -1.25 -5.00 116.55 114.63 1wgw n ASP 65 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 1wgw n ASP 65 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 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 0.17 -0.92 -2.67 3.38 -1.99 -3.35 115.31 109.94 1wgw h LEU 66 Ca 0.00 -0.27 0.19 0.00 0.09 0.00 0.00 57.88 57.89 1wgw h LEU 66 Cb 0.00 -0.06 -0.17 0.00 0.09 0.00 0.00 40.66 40.52 1wgw h LEU 66 CO 0.00 1.23 -0.21 -1.84 0.09 0.00 0.00 178.44 177.71 1wgw n GLU 67 N -3.30 -0.08 -3.63 1.13 0.28 -1.26 -2.72 120.64 111.06 1wgw n GLU 67 Ca -0.14 1.42 -0.28 0.00 -0.16 0.00 0.00 57.16 58.00 1wgw n GLU 67 Cb 1.02 -2.14 -0.11 0.00 1.43 0.00 0.00 31.44 31.64 1wgw n GLU 67 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1wgw s GLU 68 N -6.13 1.49 0.00 3.44 -1.05 -1.26 -4.89 118.70 110.30 1wgw s GLU 68 Ca -0.14 -2.47 0.23 0.00 -0.15 0.00 0.00 54.97 52.45 1wgw s GLU 68 Cb 0.25 -2.26 0.16 0.00 -0.44 0.00 0.00 34.13 31.84 1wgw s GLU 68 CO 0.71 -1.30 1.17 -1.33 0.95 0.00 0.00 175.26 175.46 1wgw n MET 69 N 2.74 0.03 0.00 -4.83 2.81 -1.10 -4.96 117.12 111.81 1wgw n MET 69 Ca 0.21 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1wgw n MET 69 Cb 0.40 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 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 -1.53 0.00 -1.44 3.04 0.00 -1.26 -3.54 120.51 115.77 1wgw n ALA 70 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1wgw n ALA 70 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1wgw n ALA 70 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wgw n SER 71 N 1.60 0.00 0.00 0.00 7.64 -1.26 -5.14 113.62 116.47 1wgw n SER 71 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wgw n SER 71 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wgw n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgw n GLY 72 N 4.01 0.49 1.16 0.23 0.00 -1.23 -5.02 105.19 104.83 1wgw n GLY 72 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.81 0.09 0.99 4.77 -1.26 -4.80 117.00 117.60 1wgw n LEU 73 Ca 0.00 0.16 0.05 0.00 -0.03 0.00 0.00 56.01 56.18 1wgw n LEU 73 Cb 0.00 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1wgw n LEU 73 CO 0.00 -0.66 0.06 0.78 -1.33 0.00 0.00 177.39 176.25 1wgw h ASN 74 N 0.00 0.00 -0.20 -1.43 2.35 -1.99 -3.37 115.58 110.94 1wgw h ASN 74 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1wgw h ASN 74 Cb 0.14 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1wgw h ASN 74 CO 0.00 0.36 -0.22 0.11 -1.65 0.00 0.00 177.43 176.03 1wgw h LYS 75 N 0.00 -0.13 -0.99 0.81 6.56 -1.97 1.17 116.57 122.03 1wgw h LYS 75 Ca -0.07 0.01 0.29 0.00 -1.06 0.00 0.00 60.65 59.82 1wgw h LYS 75 Cb 1.33 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.98 1wgw h LYS 75 CO 0.03 -0.08 0.72 0.07 -2.06 0.00 0.00 179.45 178.13 1wgw h ARG 76 N -0.13 0.00 0.03 3.15 0.11 -1.88 0.71 114.38 116.36 1wgw h ARG 76 Ca 0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 1wgw h ARG 76 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1wgw h ARG 76 CO -0.25 0.00 -0.01 0.87 0.10 0.00 0.00 179.97 180.67 1wgw h LYS 77 N 0.00 -0.03 -0.49 0.08 1.57 0.26 -2.67 116.57 115.28 1wgw h LYS 77 Ca 0.47 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.40 1wgw h LYS 77 Cb 1.91 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.21 1wgw h LYS 77 CO -0.00 -0.02 0.52 0.00 -0.57 0.00 0.00 179.45 179.37 1wgw h MET 78 N -0.08 0.00 0.00 3.15 -0.00 0.17 1.49 114.93 119.66 1wgw h MET 78 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 1wgw h MET 78 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.62 1wgw h MET 78 CO 0.01 0.00 -0.22 0.82 -0.00 0.00 0.00 176.91 177.52 1wgw h ILE 79 N 0.00 0.49 0.00 -0.10 2.04 0.38 0.20 117.51 120.52 1wgw h ILE 79 Ca 0.23 -1.19 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 1wgw h ILE 79 Cb 1.27 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1wgw h ILE 79 CO -0.00 0.21 -0.39 0.06 0.00 0.00 0.00 178.15 178.03 1wgw h GLN 80 N 0.00 0.00 0.07 2.37 3.07 0.25 -3.00 115.11 117.87 1wgw h GLN 80 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.38 1wgw h GLN 80 Cb 0.83 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.35 1wgw h GLN 80 CO 0.03 0.39 -2.02 1.58 0.09 0.00 0.00 178.83 178.89 1wgw n HIS 81 N -3.59 0.88 -0.14 0.06 -0.00 -1.00 -3.67 115.22 107.76 1wgw n HIS 81 Ca -0.00 0.22 -0.08 0.00 0.46 0.00 0.00 57.72 58.31 1wgw n HIS 81 Cb 0.50 -1.11 -0.06 0.00 -0.12 0.00 0.00 29.99 29.20 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 -0.10 -0.54 0.10 1.57 0.00 -0.97 1.46 119.26 120.78 1wgw h ALA 82 Ca -0.46 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1wgw h ALA 82 Cb 1.87 1.05 -0.05 0.00 0.00 0.00 0.00 17.79 20.66 1wgw h ALA 82 CO -0.03 -0.74 -0.47 0.28 0.00 0.00 0.00 179.25 178.29 1wgw h VAL 83 N -0.19 0.08 -0.77 0.00 2.07 -1.74 -0.55 116.25 115.15 1wgw h VAL 83 Ca 0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.76 1wgw h VAL 83 Cb 0.35 0.08 -0.13 0.00 -1.52 0.00 0.00 31.29 30.07 1wgw h VAL 83 CO -0.44 0.00 0.03 -0.26 0.02 0.00 0.00 177.57 176.92 1wgw h PHE 84 N -0.69 -0.01 0.20 1.57 -1.00 -1.35 -0.73 116.94 114.93 1wgw h PHE 84 Ca 0.01 0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 1wgw h PHE 84 Cb 0.72 0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.39 1wgw h PHE 84 CO -0.42 -0.24 -0.22 -0.22 -1.61 0.00 0.00 178.31 175.60 1wgw h LYS 85 N 0.11 -0.41 -0.97 1.51 1.63 0.31 0.56 116.57 119.31 1wgw h LYS 85 Ca 0.43 0.03 0.20 0.00 -0.85 0.00 0.00 60.65 60.46 1wgw h LYS 85 Cb 0.77 0.09 -0.18 0.00 -0.60 0.00 0.00 32.23 32.31 1wgw h LYS 85 CO -0.67 -0.27 -0.20 0.39 -3.45 0.00 0.00 179.45 175.24 1wgw n GLU 86 N -3.69 -0.09 -0.12 1.90 -0.58 -0.32 0.17 120.64 117.93 1wgw n GLU 86 Ca -0.05 1.50 -0.05 0.00 -0.42 0.00 0.00 57.16 58.14 1wgw n GLU 86 Cb 0.20 -2.26 0.03 0.00 -0.57 0.00 0.00 31.44 28.83 1wgw n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wgw h LEU 87 N 0.00 0.11 0.29 -4.62 3.38 -0.65 -0.63 115.31 113.19 1wgw h LEU 87 Ca 0.48 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.50 1wgw h LEU 87 Cb 0.78 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1wgw h LEU 87 CO -0.98 0.10 -0.40 0.58 0.09 0.00 0.00 178.44 177.82 1wgw h VAL 88 N 0.27 0.00 -0.32 1.22 2.07 0.41 -2.97 116.25 116.93 1wgw h VAL 88 Ca 0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1wgw h VAL 88 Cb 0.17 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 1wgw h VAL 88 CO -0.20 0.00 -0.27 0.11 0.02 0.00 0.00 177.57 177.23 1wgw h LYS 89 N -0.72 -0.10 0.00 1.57 1.57 -0.67 -3.37 116.57 114.85 1wgw h LYS 89 Ca -0.03 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1wgw h LYS 89 Cb 0.65 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1wgw h LYS 89 CO -0.11 -0.07 0.00 1.33 -0.57 0.00 0.00 179.45 180.04 1wgw n VAL 90 N -4.01 0.00 0.00 0.50 0.24 -0.27 -3.97 118.33 110.82 1wgw n VAL 90 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1wgw n VAL 90 Cb 0.14 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 1wgw n VAL 90 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1wgw n LYS 91 N -1.43 0.00 -1.05 7.34 4.81 -1.25 -4.31 118.16 122.26 1wgw n LYS 91 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 1wgw n LYS 91 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 1wgw n LYS 91 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1wgw n VAL 92 N 0.00 2.93 -3.64 3.15 3.14 -1.25 -4.85 118.33 117.82 1wgw n VAL 92 Ca 0.00 -2.01 -0.04 0.00 -2.96 0.00 0.00 64.34 59.34 1wgw n VAL 92 Cb 0.00 -1.41 -0.01 0.00 -1.06 0.00 0.00 33.84 31.35 1wgw n VAL 92 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1wgw s TYR 93 N -1.77 -0.16 -0.02 1.45 6.14 -1.26 -5.06 117.35 116.67 1wgw s TYR 93 Ca 0.39 -0.01 0.01 0.00 0.64 0.00 0.00 57.07 58.10 1wgw s TYR 93 Cb 0.28 0.57 0.03 0.00 0.42 0.00 0.00 41.96 43.27 1wgw s TYR 93 CO -0.06 -0.52 0.39 0.43 0.64 0.00 0.00 175.55 176.43 1wgw n SER 94 N -0.36 -0.18 0.00 4.32 7.64 -1.26 -4.98 113.62 118.80 1wgw n SER 94 Ca -0.06 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1wgw n SER 94 Cb 0.61 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1wgw n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgw n GLY 95 N -0.11 0.80 3.70 0.23 0.00 -1.26 -4.92 105.19 103.62 1wgw n GLY 95 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1wgw n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgw s PRO 96 N 0.00 4.39 0.32 1.61 0.04 -1.26 -4.73 135.00 135.37 1wgw s PRO 96 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1wgw s PRO 96 Cb 0.00 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1wgw s PRO 96 CO 0.00 -0.36 0.00 0.45 0.04 0.00 0.00 177.00 177.13 1wgw n SER 97 N 4.64 -2.75 -1.29 6.66 2.88 -1.26 -5.17 113.62 117.33 1wgw n SER 97 Ca 0.10 0.61 0.16 0.00 -1.33 0.00 0.00 58.87 58.41 1wgw n SER 97 Cb 0.46 2.71 -0.07 0.00 -0.75 0.00 0.00 64.21 66.56 1wgw n SER 97 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgw n SER 98 N -3.15 -7.55 0.00 -3.46 7.64 -1.26 -5.26 113.62 100.58 1wgw n SER 98 Ca 0.00 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1wgw n SER 98 Cb 0.00 -4.24 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 1wgw n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64