#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 -5.80 -3.92 1.61 7.64 -1.26 -5.00 113.62 106.89 1wgw n SER 2 Ca 0.00 1.02 -0.12 0.00 1.01 0.00 0.00 58.87 60.78 1wgw n SER 2 Cb 0.00 -3.59 -0.13 0.00 -1.01 0.00 0.00 64.21 59.48 1wgw n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgw s SER 3 N -6.42 0.20 0.14 6.43 0.01 -1.26 -5.09 113.70 107.71 1wgw s SER 3 Ca 0.00 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1wgw s SER 3 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1wgw s SER 3 CO 0.00 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1wgw n GLY 4 N 2.64 -3.25 2.83 3.44 0.00 -1.26 -5.06 105.19 104.53 1wgw n GLY 4 Ca -0.15 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1wgw n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgw s SER 5 N -3.01 -0.64 -0.37 1.61 1.04 -1.26 -5.10 113.70 105.96 1wgw s SER 5 Ca 0.00 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1wgw s SER 5 Cb 0.00 0.83 0.15 0.00 0.10 0.00 0.00 66.02 67.10 1wgw s SER 5 CO 0.00 -0.06 0.24 -0.94 0.98 0.00 0.00 173.24 173.46 1wgw s SER 6 N 1.64 2.67 -0.32 7.02 1.04 -1.26 -4.95 113.70 119.53 1wgw s SER 6 Ca 0.18 -2.39 -0.06 0.00 0.48 0.00 0.00 55.95 54.16 1wgw s SER 6 Cb 0.04 -0.42 0.01 0.00 0.10 0.00 0.00 66.02 65.74 1wgw s SER 6 CO -0.12 -0.28 0.38 0.61 0.98 0.00 0.00 173.24 174.81 1wgw n GLY 7 N 3.77 -0.99 0.32 7.32 0.00 -1.26 -4.34 105.19 110.01 1wgw n GLY 7 Ca 0.16 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.60 1wgw n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgw h ALA 8 N 0.87 -0.83 0.08 4.61 0.00 -1.98 0.54 119.26 122.56 1wgw h ALA 8 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wgw h ALA 8 Cb 0.73 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1wgw h ALA 8 CO 0.14 -0.92 -0.04 0.22 0.00 0.00 0.00 179.25 178.65 1wgw h ASP 9 N -0.48 -0.09 0.00 0.00 3.58 -1.97 -2.77 116.42 114.69 1wgw h ASP 9 Ca 0.00 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1wgw h ASP 9 Cb 0.49 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1wgw h ASP 9 CO -0.21 0.51 0.00 0.18 -2.88 0.00 0.00 179.24 176.84 1wgw n LEU 10 N -4.85 0.00 -0.37 2.28 7.99 -1.19 0.18 117.00 121.04 1wgw n LEU 10 Ca -0.08 0.93 0.31 0.00 -0.01 0.00 0.00 56.01 57.16 1wgw n LEU 10 Cb 0.29 -0.43 0.63 0.00 -0.11 0.00 0.00 43.42 43.80 1wgw n LEU 10 CO 0.30 -0.43 1.27 1.23 -1.51 0.00 0.00 177.39 178.24 1wgw h GLY 11 N 0.00 0.82 1.83 -0.72 0.00 -0.04 1.50 103.07 106.46 1wgw h GLY 11 Ca 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 1wgw h GLY 11 CO 0.00 -0.15 -0.63 3.21 0.00 0.00 0.00 176.54 178.97 1wgw h ARG 12 N 0.19 0.17 -0.22 4.80 3.08 0.57 0.80 114.38 123.78 1wgw h ARG 12 Ca 0.65 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.50 1wgw h ARG 12 Cb 2.09 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.15 1wgw h ARG 12 CO -0.23 0.74 -0.20 0.87 -1.07 0.00 0.00 179.97 180.09 1wgw h LYS 13 N 0.12 0.52 -0.02 0.04 1.57 1.27 -3.08 116.57 117.00 1wgw h LYS 13 Ca -0.01 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.35 1wgw h LYS 13 Cb 1.13 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.46 1wgw h LYS 13 CO 0.09 0.85 -0.57 0.82 -0.57 0.00 0.00 179.45 180.07 1wgw h ILE 14 N 0.21 1.42 -1.53 1.86 2.04 -1.02 -3.16 117.51 117.32 1wgw h ILE 14 Ca 0.04 -2.03 0.47 0.00 1.00 0.00 0.00 64.86 64.34 1wgw h ILE 14 Cb 0.74 2.53 -0.10 0.00 -0.74 0.00 0.00 36.82 39.25 1wgw h ILE 14 CO 0.05 0.59 1.05 0.74 0.00 0.00 0.00 178.15 180.58 1wgw h THR 15 N -0.08 0.11 -0.02 -0.27 2.02 0.61 0.99 112.91 116.27 1wgw h THR 15 Ca -0.07 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1wgw h THR 15 Cb 1.27 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1wgw h THR 15 CO 0.11 0.01 -0.07 -1.28 0.37 0.00 0.00 175.52 174.66 1wgw h SER 16 N 0.05 0.09 0.00 4.18 0.87 -1.50 -2.69 113.55 114.54 1wgw h SER 16 Ca 0.84 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1wgw h SER 16 Cb 2.95 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 64.89 1wgw h SER 16 CO -0.24 0.74 0.00 0.00 -0.53 0.00 0.00 176.83 176.80 1wgw n ALA 17 N -2.45 -0.20 -0.33 6.23 0.00 0.33 -0.76 120.51 123.32 1wgw n ALA 17 Ca -0.09 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.62 1wgw n ALA 17 Cb 0.37 0.28 0.52 0.00 0.00 0.00 0.00 19.45 20.61 1wgw n ALA 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wgw h LEU 18 N 0.00 0.45 -0.51 0.00 3.38 -1.49 1.04 115.31 118.18 1wgw h LEU 18 Ca 0.00 0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.27 1wgw h LEU 18 Cb 0.00 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1wgw h LEU 18 CO 0.00 -0.24 0.12 -0.09 0.09 0.00 0.00 178.44 178.32 1wgw h ARG 19 N 0.22 0.26 -1.17 1.13 2.43 -0.59 0.11 114.38 116.76 1wgw h ARG 19 Ca 0.77 -0.02 0.33 0.00 -0.81 0.00 0.00 59.98 60.26 1wgw h ARG 19 Cb 1.88 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 31.28 1wgw h ARG 19 CO -0.66 0.17 0.78 1.03 -1.51 0.00 0.00 179.97 179.78 1wgw h SER 20 N 0.26 0.29 0.21 -3.80 0.87 0.29 0.17 113.55 111.85 1wgw h SER 20 Ca 0.25 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1wgw h SER 20 Cb 0.33 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1wgw h SER 20 CO -0.32 0.00 -0.10 -0.07 -0.53 0.00 0.00 176.83 175.81 1wgw h LEU 21 N 0.22 -0.24 -1.62 2.23 3.38 -0.76 -2.62 115.31 115.90 1wgw h LEU 21 Ca 0.65 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.45 1wgw h LEU 21 Cb 2.00 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1wgw h LEU 21 CO -0.25 0.28 0.60 -1.28 0.09 0.00 0.00 178.44 177.87 1wgw h SER 22 N -0.91 0.00 -1.07 -0.43 0.87 -0.13 0.79 113.55 112.67 1wgw h SER 22 Ca -0.03 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.95 1wgw h SER 22 Cb 0.50 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.04 1wgw h SER 22 CO 0.05 0.00 -0.64 0.59 -0.53 0.00 0.00 176.83 176.30 1wgw n ASN 23 N -3.25 5.08 -4.49 6.23 3.02 0.12 -5.02 115.26 116.95 1wgw n ASN 23 Ca 0.06 -3.74 -0.28 0.00 -0.03 0.00 0.00 54.58 50.59 1wgw n ASN 23 Cb 0.74 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 39.36 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 2.69 -0.24 5.41 0.00 0.28 -4.91 121.76 121.39 1wgw s ALA 24 Ca 0.51 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1wgw s ALA 24 Cb 0.41 -0.58 -0.16 0.00 0.00 0.00 0.00 23.12 22.79 1wgw s ALA 24 CO -0.06 0.52 -0.20 2.41 0.00 0.00 0.00 175.76 178.44 1wgw n THR 25 N 0.51 1.37 -3.82 0.00 -1.04 -1.26 -4.89 114.28 105.15 1wgw n THR 25 Ca -0.14 -0.54 -0.36 0.00 -2.04 0.00 0.00 64.05 60.97 1wgw n THR 25 Cb 0.54 -1.30 -0.13 0.00 -1.82 0.00 0.00 70.33 67.62 1wgw n THR 25 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1wgw s ILE 26 N -2.48 3.76 -0.74 12.58 -1.09 -1.26 -5.05 121.20 126.92 1wgw s ILE 26 Ca -0.31 -0.55 -0.12 0.00 -2.23 0.00 0.00 60.65 57.44 1wgw s ILE 26 Cb 0.08 -2.83 0.19 0.00 -1.58 0.00 0.00 42.46 38.32 1wgw s ILE 26 CO 0.57 0.25 0.66 -0.63 -1.23 0.00 0.00 174.94 174.55 1wgw s ILE 27 N 1.50 5.14 0.24 2.92 -1.09 -1.26 -4.79 121.20 123.85 1wgw s ILE 27 Ca 0.04 -2.44 0.02 0.00 -2.23 0.00 0.00 60.65 56.04 1wgw s ILE 27 Cb -0.16 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.50 1wgw s ILE 27 CO 0.00 -0.97 0.08 -0.46 -1.23 0.00 0.00 174.94 172.36 1wgw n ASN 28 N 4.04 1.24 -0.01 3.58 0.23 -1.26 -5.01 115.26 118.07 1wgw n ASN 28 Ca 0.09 -2.25 -0.10 0.00 -0.53 0.00 0.00 54.58 51.78 1wgw n ASN 28 Cb 0.44 0.56 -0.05 0.00 -2.08 0.00 0.00 39.78 38.66 1wgw n ASN 28 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wgw h GLU 29 N 0.00 0.10 -0.75 -3.83 5.08 -1.95 -2.83 114.58 110.41 1wgw h GLU 29 Ca -0.19 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1wgw h GLU 29 Cb 0.70 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.82 1wgw h GLU 29 CO 0.30 0.07 -0.52 1.49 -1.00 0.00 0.00 179.01 179.34 1wgw h GLU 30 N 0.10 -0.15 -0.47 2.33 4.57 -1.97 0.89 114.58 119.88 1wgw h GLU 30 Ca 0.05 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1wgw h GLU 30 Cb 0.02 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 28.55 1wgw h GLU 30 CO -0.05 -0.10 -0.39 0.28 -1.18 0.00 0.00 179.01 177.57 1wgw h VAL 31 N -0.16 0.14 -0.60 0.32 2.07 -1.82 1.47 116.25 117.67 1wgw h VAL 31 Ca 0.17 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.77 1wgw h VAL 31 Cb 0.52 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1wgw h VAL 31 CO -0.80 0.00 0.26 0.25 0.02 0.00 0.00 177.57 177.30 1wgw h LEU 32 N -0.26 0.30 0.85 2.57 6.46 -0.55 1.07 115.31 125.74 1wgw h LEU 32 Ca 0.17 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1wgw h LEU 32 Cb 0.57 0.02 0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1wgw h LEU 32 CO -0.61 0.18 -0.41 0.78 -0.62 0.00 0.00 178.44 177.77 1wgw h ASN 33 N 0.46 -0.96 0.10 1.25 2.35 0.41 0.79 115.58 119.98 1wgw h ASN 33 Ca 0.30 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 56.10 1wgw h ASN 33 Cb 0.32 0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.89 1wgw h ASN 33 CO -0.27 -0.69 -0.51 0.00 -1.65 0.00 0.00 177.43 174.32 1wgw h ALA 34 N -1.47 -0.92 -0.81 -0.83 0.00 0.22 -0.96 119.26 114.48 1wgw h ALA 34 Ca -0.12 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 54.86 1wgw h ALA 34 Cb 0.87 0.86 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 1wgw h ALA 34 CO 0.19 -1.09 0.36 1.98 0.00 0.00 0.00 179.25 180.69 1wgw h MET 35 N -0.72 0.48 -0.21 0.00 1.85 0.12 -1.06 114.93 115.38 1wgw h MET 35 Ca 0.01 -0.03 0.06 0.00 -0.61 0.00 0.00 59.70 59.12 1wgw h MET 35 Cb 0.74 -0.11 -0.07 0.00 0.43 0.00 0.00 31.60 32.59 1wgw h MET 35 CO -0.29 0.32 -0.35 -0.07 -0.40 0.00 0.00 176.91 176.11 1wgw h LEU 36 N 0.49 -1.11 -0.74 3.39 3.38 0.19 -1.34 115.31 119.58 1wgw h LEU 36 Ca 0.46 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.66 1wgw h LEU 36 Cb 0.72 0.48 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 1wgw h LEU 36 CO -0.42 -0.36 -0.49 0.50 0.09 0.00 0.00 178.44 177.76 1wgw h LYS 37 N -0.38 -0.06 -1.08 1.13 3.64 -0.14 1.86 116.57 121.54 1wgw h LYS 37 Ca 0.11 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 59.79 1wgw h LYS 37 Cb 0.56 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.31 1wgw h LYS 37 CO -0.42 -0.04 0.71 0.93 -2.27 0.00 0.00 179.45 178.36 1wgw h GLU 38 N -0.06 0.29 0.12 1.90 4.39 -1.22 0.61 114.58 120.61 1wgw h GLU 38 Ca 0.12 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1wgw h GLU 38 Cb 0.37 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1wgw h GLU 38 CO -0.73 0.19 -0.06 0.28 -1.16 0.00 0.00 179.01 177.53 1wgw h VAL 39 N 0.30 0.00 -0.97 3.13 2.07 0.32 -2.94 116.25 118.15 1wgw h VAL 39 Ca 0.61 -0.46 0.31 0.00 0.82 0.00 0.00 66.70 67.98 1wgw h VAL 39 Cb 1.72 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.32 1wgw h VAL 39 CO -0.26 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.60 1wgw h THR 41 N 0.07 0.57 -0.71 0.00 2.02 0.13 0.89 112.91 115.89 1wgw h THR 41 Ca 0.68 0.00 0.14 0.00 0.77 0.00 0.00 66.41 68.00 1wgw h THR 41 Cb 1.55 0.57 -0.13 0.00 -1.74 0.00 0.00 68.15 68.40 1wgw h THR 41 CO -0.80 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 174.92 1wgw h ALA 42 N 0.98 0.48 0.30 6.16 0.00 0.13 1.55 119.26 128.87 1wgw h ALA 42 Ca 0.12 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1wgw h ALA 42 Cb 0.33 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1wgw h ALA 42 CO -0.30 -0.42 -0.14 -0.07 0.00 0.00 0.00 179.25 178.32 1wgw h LEU 43 N 0.01 -0.34 -1.77 0.00 -0.00 -0.86 -1.35 115.31 110.99 1wgw h LEU 43 Ca 0.34 -0.00 0.11 0.00 -0.00 0.00 0.00 57.88 58.33 1wgw h LEU 43 Cb 0.53 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.24 1wgw h LEU 43 CO -0.72 -0.23 0.37 -0.07 -0.00 0.00 0.00 178.44 177.79 1wgw h LEU 44 N -0.42 0.23 -0.25 1.67 3.38 0.16 1.05 115.31 121.13 1wgw h LEU 44 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wgw h LEU 44 Cb 0.32 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1wgw h LEU 44 CO 0.07 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 178.11 1wgw n GLU 45 N -4.45 1.16 0.00 1.13 1.02 0.50 -4.27 120.64 115.74 1wgw n GLU 45 Ca 0.09 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1wgw n GLU 45 Cb 0.44 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.55 0.39 0.00 0.62 0.00 0.36 -5.02 120.51 116.32 1wgw n ALA 46 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1wgw n ALA 46 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1wgw n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wgw n ASP 47 N -1.30 0.00 -4.00 0.00 2.03 -0.85 -5.10 116.55 107.32 1wgw n ASP 47 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1wgw n ASP 47 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1wgw n ASP 47 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wgw s VAL 48 N 0.00 0.11 -0.04 5.18 0.11 -1.25 -5.04 120.40 119.47 1wgw s VAL 48 Ca 0.00 -1.52 -0.12 0.00 -2.93 0.00 0.00 61.98 57.40 1wgw s VAL 48 Cb 0.00 -1.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.04 1wgw s VAL 48 CO 0.00 -0.48 0.33 0.21 -3.33 0.00 0.00 175.10 171.83 1wgw s ASN 49 N -2.96 6.69 0.26 3.54 3.04 -1.26 -4.73 114.94 119.52 1wgw s ASN 49 Ca 0.16 0.82 -0.02 0.00 0.04 0.00 0.00 52.86 53.86 1wgw s ASN 49 Cb 0.05 -2.20 0.48 0.00 -1.54 0.00 0.00 41.25 38.04 1wgw s ASN 49 CO -0.03 0.35 1.82 -0.29 -3.04 0.00 0.00 177.10 175.91 1wgw h ILE 50 N 3.79 0.90 -0.63 -5.21 6.09 -1.98 0.52 117.51 120.98 1wgw h ILE 50 Ca -0.53 -0.30 0.05 0.00 -1.37 0.00 0.00 64.86 62.72 1wgw h ILE 50 Cb 1.22 -0.05 -0.04 0.00 0.47 0.00 0.00 36.82 38.43 1wgw h ILE 50 CO 0.61 0.16 0.42 0.11 -3.07 0.00 0.00 178.15 176.37 1wgw h LYS 51 N 0.87 0.64 0.01 2.19 6.56 -1.99 0.32 116.57 125.18 1wgw h LYS 51 Ca 0.45 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 60.00 1wgw h LYS 51 Cb 0.44 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 1wgw h LYS 51 CO -0.27 0.43 -0.00 -0.07 -2.06 0.00 0.00 179.45 177.48 1wgw h LEU 52 N 0.66 -0.01 -2.02 2.94 3.38 -0.84 -3.07 115.31 116.34 1wgw h LEU 52 Ca 0.27 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1wgw h LEU 52 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wgw h LEU 52 CO -0.08 0.79 0.07 0.58 0.09 0.00 0.00 178.44 179.89 1wgw h VAL 53 N -0.83 0.00 0.00 1.22 2.07 0.38 0.42 116.25 119.52 1wgw h VAL 53 Ca -0.00 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 1wgw h VAL 53 Cb 0.79 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1wgw h VAL 53 CO 0.00 0.00 -0.89 0.50 0.02 0.00 0.00 177.57 177.20 1wgw h LYS 54 N 0.00 0.23 0.00 1.57 1.63 -0.28 -2.66 116.57 117.06 1wgw h LYS 54 Ca 0.00 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1wgw h LYS 54 Cb 0.13 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1wgw h LYS 54 CO 0.00 0.98 -0.44 1.96 -3.45 0.00 0.00 179.45 178.49 1wgw h GLN 55 N 0.13 0.00 0.11 1.90 1.08 -0.18 -3.30 115.11 114.85 1wgw h GLN 55 Ca -0.05 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1wgw h GLN 55 Cb 1.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 1wgw h GLN 55 CO 0.14 0.00 -0.05 1.25 -0.95 0.00 0.00 178.83 179.22 1wgw h LEU 56 N 0.00 -0.12 -0.93 1.46 6.46 -1.13 -2.12 115.31 118.93 1wgw h LEU 56 Ca 0.00 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.88 1wgw h LEU 56 Cb 0.89 0.03 -0.13 0.00 -0.73 0.00 0.00 40.66 40.72 1wgw h LEU 56 CO 0.00 0.04 -0.45 -2.11 -0.62 0.00 0.00 178.44 175.30 1wgw n ARG 57 N -3.11 -0.31 0.11 1.25 1.85 -1.01 -0.13 116.66 115.31 1wgw n ARG 57 Ca -0.02 1.42 -0.13 0.00 -1.00 0.00 0.00 57.85 58.11 1wgw n ARG 57 Cb 0.06 -2.09 -0.06 0.00 -1.05 0.00 0.00 32.46 29.31 1wgw n ARG 57 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 1wgw h GLU 58 N 0.00 -0.56 -0.84 2.89 -0.00 -1.69 0.97 114.58 115.35 1wgw h GLU 58 Ca 0.24 0.04 0.21 0.00 -0.00 0.00 0.00 59.36 59.84 1wgw h GLU 58 Cb 0.47 0.13 -0.14 0.00 -0.00 0.00 0.00 28.75 29.20 1wgw h GLU 58 CO -0.90 -0.37 0.09 -0.91 -0.00 0.00 0.00 179.01 176.92 1wgw h ASN 59 N -0.58 -0.24 -0.10 3.06 2.35 0.19 0.46 115.58 120.72 1wgw h ASN 59 Ca 0.03 0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1wgw h ASN 59 Cb 0.61 0.34 -0.00 0.00 0.05 0.00 0.00 38.32 39.32 1wgw h ASN 59 CO -0.21 -0.20 -0.05 0.58 -1.65 0.00 0.00 177.43 175.91 1wgw h VAL 60 N 0.13 1.32 -0.23 2.81 2.07 0.56 -2.36 116.25 120.54 1wgw h VAL 60 Ca 0.49 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 67.02 1wgw h VAL 60 Cb 0.93 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1wgw h VAL 60 CO -0.70 0.30 0.41 0.11 0.02 0.00 0.00 177.57 177.70 1wgw h LYS 61 N -0.14 0.00 0.01 1.57 1.57 0.47 1.12 116.57 121.18 1wgw h LYS 61 Ca 0.02 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 1wgw h LYS 61 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1wgw h LYS 61 CO 0.01 0.00 -0.95 1.03 -0.57 0.00 0.00 179.45 178.98 1wgw h SER 62 N 0.00 0.05 0.65 0.86 0.87 0.25 -3.01 113.55 113.22 1wgw h SER 62 Ca 0.11 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1wgw h SER 62 Cb 0.92 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1wgw h SER 62 CO -0.00 0.97 0.00 0.00 -0.53 0.00 0.00 176.83 177.26 1wgw h ALA 63 N 1.03 1.00 -3.00 6.23 0.00 0.15 -3.42 119.26 121.25 1wgw h ALA 63 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wgw h ALA 63 Cb 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1wgw h ALA 63 CO 0.13 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.49 1wgw n ILE 64 N -2.86 0.00 0.00 0.00 2.08 -1.08 -5.06 119.36 112.43 1wgw n ILE 64 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1wgw n ILE 64 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.11 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 2.03 -1.26 -5.05 116.55 116.68 1wgw n ASP 65 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1wgw n ASP 65 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1wgw n ASP 65 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wgw h LEU 66 N 0.00 -1.34 -0.93 -2.67 3.38 -1.98 0.00 115.31 111.78 1wgw h LEU 66 Ca 0.00 0.15 0.28 0.00 0.09 0.00 0.00 57.88 58.40 1wgw h LEU 66 Cb 0.00 0.51 -0.17 0.00 0.09 0.00 0.00 40.66 41.09 1wgw h LEU 66 CO 0.00 -0.41 0.12 -1.84 0.09 0.00 0.00 178.44 176.40 1wgw n GLU 67 N -4.84 -0.07 -3.72 1.13 0.28 -1.26 -3.07 120.64 109.09 1wgw n GLU 67 Ca -0.06 1.37 -0.30 0.00 -0.16 0.00 0.00 57.16 58.01 1wgw n GLU 67 Cb 0.31 -2.23 -0.14 0.00 1.43 0.00 0.00 31.44 30.82 1wgw n GLU 67 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wgw s GLU 68 N -5.81 0.99 -0.01 3.44 2.02 -0.10 -4.91 118.70 114.32 1wgw s GLU 68 Ca -0.11 -1.53 0.14 0.00 0.02 0.00 0.00 54.97 53.48 1wgw s GLU 68 Cb 0.28 -2.16 -0.17 0.00 0.10 0.00 0.00 34.13 32.18 1wgw s GLU 68 CO 0.72 -1.07 0.51 -1.33 0.02 0.00 0.00 175.26 174.11 1wgw n MET 69 N 4.21 1.89 0.00 1.61 2.81 -0.66 -4.54 117.12 122.43 1wgw n MET 69 Ca 0.04 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1wgw n MET 69 Cb 0.38 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 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 -1.51 0.00 -2.24 3.04 0.00 -1.26 -4.57 120.51 113.97 1wgw n ALA 70 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1wgw n ALA 70 Cb 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 1wgw n ALA 70 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wgw s SER 71 N -3.17 0.68 -0.66 0.00 0.01 -1.26 -5.07 113.70 104.23 1wgw s SER 71 Ca 0.00 -1.33 0.02 0.00 1.31 0.00 0.00 55.95 55.96 1wgw s SER 71 Cb 0.00 0.25 0.37 0.00 0.21 0.00 0.00 66.02 66.86 1wgw s SER 71 CO 0.00 -0.75 1.40 0.61 0.41 0.00 0.00 173.24 174.92 1wgw n GLY 72 N -0.31 5.82 0.22 3.44 0.00 -1.26 -4.45 105.19 108.65 1wgw n GLY 72 Ca -0.01 -2.68 -0.07 0.00 0.00 0.00 0.00 46.02 43.26 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 -0.38 1.63 -0.00 0.99 4.32 -1.26 -4.67 117.00 117.62 1wgw n LEU 73 Ca 0.42 0.27 -0.05 0.00 -0.02 0.00 0.00 56.01 56.63 1wgw n LEU 73 Cb 0.44 -0.66 -0.12 0.00 -1.62 0.00 0.00 43.42 41.46 1wgw n LEU 73 CO 0.40 -0.36 -0.45 -0.46 -1.22 0.00 0.00 177.39 175.31 1wgw n ASN 74 N -4.13 0.83 -0.00 -1.43 0.23 -1.26 -4.30 115.26 105.20 1wgw n ASN 74 Ca -0.11 0.38 -0.00 0.00 -0.53 0.00 0.00 54.58 54.33 1wgw n ASN 74 Cb 0.40 0.08 -0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1wgw n ASN 74 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1wgw n LYS 75 N -2.96 -0.00 -0.40 -3.83 4.76 -1.26 0.19 118.16 114.66 1wgw n LYS 75 Ca -0.14 0.99 0.37 0.00 -2.87 0.00 0.00 58.31 56.65 1wgw n LYS 75 Cb 0.96 -1.48 0.71 0.00 -1.84 0.00 0.00 35.03 33.38 1wgw n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgw h ARG 76 N 0.00 0.07 0.00 1.97 3.08 -1.83 1.50 114.38 119.17 1wgw h ARG 76 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wgw h ARG 76 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1wgw h ARG 76 CO -0.00 0.05 0.00 1.63 -1.07 0.00 0.00 179.97 180.58 1wgw n LYS 77 N -4.27 0.00 0.13 0.04 5.02 0.51 -1.81 118.16 117.77 1wgw n LYS 77 Ca 0.30 0.45 0.19 0.00 -2.02 0.00 0.00 58.31 57.23 1wgw n LYS 77 Cb 1.34 -1.09 0.72 0.00 -0.02 0.00 0.00 35.03 35.98 1wgw n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgw h MET 78 N 0.00 0.00 0.00 1.97 -0.00 0.29 1.53 114.93 118.72 1wgw h MET 78 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.60 1wgw h MET 78 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1wgw h MET 78 CO 0.00 0.00 -0.49 0.82 -0.00 0.00 0.00 176.91 177.24 1wgw h ILE 79 N 0.00 0.87 0.00 -0.10 2.04 0.20 0.30 117.51 120.82 1wgw h ILE 79 Ca 0.17 -2.15 -0.19 0.00 1.00 0.00 0.00 64.86 63.69 1wgw h ILE 79 Cb 1.16 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 39.58 1wgw h ILE 79 CO -0.00 0.48 -0.90 0.06 0.00 0.00 0.00 178.15 177.79 1wgw h GLN 80 N 0.00 0.00 0.00 2.37 -0.00 0.29 -3.11 115.11 114.66 1wgw h GLN 80 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.43 1wgw h GLN 80 Cb 1.33 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.77 1wgw h GLN 80 CO 0.06 0.90 -1.70 1.58 -0.00 0.00 0.00 178.83 179.68 1wgw n HIS 81 N -3.38 0.72 0.44 0.06 -0.00 -0.66 -3.72 115.22 108.69 1wgw n HIS 81 Ca 0.00 0.24 -0.18 0.00 0.46 0.00 0.00 57.72 58.24 1wgw n HIS 81 Cb 0.88 -1.04 -0.09 0.00 -0.12 0.00 0.00 29.99 29.63 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 1.33 -1.29 -0.02 1.57 0.00 -0.45 1.44 119.26 121.83 1wgw h ALA 82 Ca -0.24 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1wgw h ALA 82 Cb 1.73 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 19.97 1wgw h ALA 82 CO 0.04 -1.22 -0.41 0.28 0.00 0.00 0.00 179.25 177.94 1wgw h VAL 83 N -1.16 0.16 -0.29 0.00 2.07 -1.73 -1.36 116.25 113.93 1wgw h VAL 83 Ca -0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1wgw h VAL 83 Cb 0.91 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1wgw h VAL 83 CO 0.16 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 177.42 1wgw h PHE 84 N -0.56 -0.15 -1.06 1.57 -1.00 -1.62 0.21 116.94 114.33 1wgw h PHE 84 Ca 0.05 0.03 0.32 0.00 2.81 0.00 0.00 57.97 61.17 1wgw h PHE 84 Cb 0.64 0.11 -0.13 0.00 3.61 0.00 0.00 35.95 40.18 1wgw h PHE 84 CO -0.43 -0.12 0.64 -0.22 -1.61 0.00 0.00 178.31 176.57 1wgw h LYS 85 N 0.01 0.33 0.04 1.51 3.11 0.28 0.27 116.57 122.11 1wgw h LYS 85 Ca 0.14 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.96 1wgw h LYS 85 Cb 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 1wgw h LYS 85 CO -0.30 0.22 -0.02 0.93 -2.81 0.00 0.00 179.45 177.47 1wgw h GLU 86 N 0.34 -0.05 -0.70 1.90 4.39 0.05 -1.99 114.58 118.51 1wgw h GLU 86 Ca 0.71 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.55 1wgw h GLU 86 Cb 1.71 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 30.24 1wgw h GLU 86 CO -0.49 0.52 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.57 1wgw h LEU 87 N -0.67 -0.83 -1.12 1.33 3.38 0.95 1.13 115.31 119.48 1wgw h LEU 87 Ca -0.01 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1wgw h LEU 87 Cb 0.59 0.49 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1wgw h LEU 87 CO 0.01 -0.26 0.19 -0.37 0.09 0.00 0.00 178.44 178.10 1wgw h VAL 88 N -0.04 1.21 0.12 1.22 -1.51 -1.00 -3.18 116.25 113.07 1wgw h VAL 88 Ca 0.32 -0.70 -0.01 0.00 -1.23 0.00 0.00 66.70 65.09 1wgw h VAL 88 Cb 0.54 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 1wgw h VAL 88 CO -0.74 0.27 -0.06 0.50 -1.23 0.00 0.00 177.57 176.31 1wgw h LYS 89 N 0.80 -0.15 -5.42 5.19 3.64 0.17 -3.34 116.57 117.47 1wgw h LYS 89 Ca 0.19 0.01 -0.51 0.00 -1.27 0.00 0.00 60.65 59.07 1wgw h LYS 89 Cb 0.21 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1wgw h LYS 89 CO -0.01 -0.10 1.65 1.33 -2.27 0.00 0.00 179.45 180.05 1wgw n VAL 90 N -2.46 -0.01 -2.32 2.00 0.24 0.22 -3.59 118.33 112.41 1wgw n VAL 90 Ca -0.02 -0.39 -0.01 0.00 -2.04 0.00 0.00 64.34 61.88 1wgw n VAL 90 Cb 0.06 -1.68 -0.01 0.00 -1.47 0.00 0.00 33.84 30.74 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 8.67 -4.79 -1.05 7.34 4.81 -1.26 -4.81 118.16 127.06 1wgw n LYS 91 Ca 0.50 3.53 -0.24 0.00 -0.87 0.00 0.00 58.31 61.23 1wgw n LYS 91 Cb 0.28 -4.56 0.07 0.00 0.02 0.00 0.00 35.03 30.84 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 1.70 3.06 -3.58 3.15 3.14 -1.24 -4.80 118.33 119.77 1wgw n VAL 92 Ca -0.09 -2.07 -0.06 0.00 -2.96 0.00 0.00 64.34 59.16 1wgw n VAL 92 Cb 0.13 -1.12 -0.02 0.00 -1.06 0.00 0.00 33.84 31.77 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 -2.68 -0.24 -0.02 1.45 6.14 -1.26 -5.06 117.35 115.68 1wgw s TYR 93 Ca 0.46 0.09 0.01 0.00 0.64 0.00 0.00 57.07 58.26 1wgw s TYR 93 Cb 0.36 0.56 0.02 0.00 0.42 0.00 0.00 41.96 43.32 1wgw s TYR 93 CO 0.01 -0.52 0.60 -1.13 0.64 0.00 0.00 175.55 175.14 1wgw n SER 94 N -0.28 -0.58 0.00 4.32 3.41 -1.26 -5.15 113.62 114.08 1wgw n SER 94 Ca -0.07 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1wgw n SER 94 Cb 0.61 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 1wgw n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgw n GLY 95 N -0.07 2.27 3.70 5.00 0.00 -1.26 -4.98 105.19 109.84 1wgw n GLY 95 Ca -0.15 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.83 4.38 0.66 1.61 0.04 -1.26 -5.03 135.00 132.56 1wgw s PRO 96 Ca 0.00 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 1wgw s PRO 96 Cb 0.00 -3.50 0.04 0.00 0.04 0.00 0.00 34.50 31.08 1wgw s PRO 96 CO 0.00 -0.39 0.96 0.45 0.04 0.00 0.00 177.00 178.06 1wgw s SER 97 N 1.37 5.10 0.27 6.66 0.15 -1.26 -5.01 113.70 120.99 1wgw s SER 97 Ca 0.57 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1wgw s SER 97 Cb -0.26 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 1wgw s SER 97 CO 0.24 -1.39 0.00 -1.20 1.20 0.00 0.00 173.24 172.09 1wgw n SER 98 N -2.77 -1.32 0.00 5.45 7.64 -1.26 -5.24 113.62 116.12 1wgw n SER 98 Ca 0.07 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1wgw n SER 98 Cb 0.59 1.39 0.00 0.00 -1.01 0.00 0.00 64.21 65.18 1wgw n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64