#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 -2.88 -2.05 1.61 7.64 -1.26 -5.14 113.62 111.55 1wgw n SER 2 Ca 0.00 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1wgw n SER 2 Cb 0.00 2.82 0.00 0.00 -1.01 0.00 0.00 64.21 66.02 1wgw n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgw n SER 3 N -3.27 -8.39 0.00 6.43 7.64 -1.26 -5.08 113.62 109.69 1wgw n SER 3 Ca 0.00 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.32 1wgw n SER 3 Cb 0.00 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 58.57 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 1.63 4.21 3.10 0.23 0.00 -1.26 -5.12 105.19 107.97 1wgw n GLY 4 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 46.02 44.83 1wgw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgw s SER 5 N 0.00 -1.11 0.00 1.61 0.01 -1.26 -5.01 113.70 107.94 1wgw s SER 5 Ca 0.00 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1wgw s SER 5 Cb 0.00 1.55 0.00 0.00 0.21 0.00 0.00 66.02 67.78 1wgw s SER 5 CO 0.00 -0.16 0.00 -0.24 0.41 0.00 0.00 173.24 173.25 1wgw n SER 6 N 4.72 0.00 0.00 2.44 2.88 -1.26 -5.11 113.62 117.29 1wgw n SER 6 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wgw n SER 6 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1wgw n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 7 N 0.00 1.27 5.04 0.46 0.00 -1.26 -5.03 105.19 105.67 1wgw n GLY 7 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.71 0.00 -0.63 4.61 0.00 -1.26 -4.39 120.51 118.14 1wgw n ALA 8 Ca 0.00 0.00 0.50 0.00 0.00 0.00 0.00 53.44 53.94 1wgw n ALA 8 Cb 0.00 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.26 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 0.00 0.00 0.00 3.32 -1.98 -0.74 116.42 117.02 1wgw h ASP 9 Ca 0.00 0.00 0.00 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 39.55 1wgw h ASP 9 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1wgw n LEU 10 N -3.96 0.00 -0.11 1.55 4.77 -1.26 -0.64 117.00 117.34 1wgw n LEU 10 Ca 0.40 0.63 0.26 0.00 -0.03 0.00 0.00 56.01 57.28 1wgw n LEU 10 Cb 1.87 -0.13 0.60 0.00 -2.33 0.00 0.00 43.42 43.42 1wgw n LEU 10 CO 0.44 -0.13 1.24 1.23 -1.33 0.00 0.00 177.39 178.84 1wgw h GLY 11 N 0.00 0.00 1.04 -0.72 0.00 -1.55 1.15 103.07 102.99 1wgw h GLY 11 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1wgw h GLY 11 CO 0.00 0.00 -0.27 3.21 0.00 0.00 0.00 176.54 179.48 1wgw h ARG 12 N 0.00 0.84 -0.07 4.80 2.47 -0.76 0.54 114.38 122.19 1wgw h ARG 12 Ca 0.39 -0.40 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1wgw h ARG 12 Cb 2.17 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 30.47 1wgw h ARG 12 CO -0.00 1.04 -0.03 0.87 0.56 0.00 0.00 179.97 182.41 1wgw h LYS 13 N 0.64 -0.02 -0.20 0.04 1.57 0.38 -1.91 116.57 117.06 1wgw h LYS 13 Ca 0.07 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1wgw h LYS 13 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1wgw h LYS 13 CO 0.07 -0.01 -0.10 0.82 -0.57 0.00 0.00 179.45 179.66 1wgw h ILE 14 N -0.02 1.31 -0.97 1.86 2.04 -1.46 -3.12 117.51 117.16 1wgw h ILE 14 Ca 0.04 -1.16 0.11 0.00 1.00 0.00 0.00 64.86 64.85 1wgw h ILE 14 Cb 0.08 1.64 -0.13 0.00 -0.74 0.00 0.00 36.82 37.67 1wgw h ILE 14 CO -0.09 0.35 -0.53 0.74 0.00 0.00 0.00 178.15 178.62 1wgw h THR 15 N 0.12 0.00 -1.00 -0.27 2.02 0.41 1.31 112.91 115.50 1wgw h THR 15 Ca 0.05 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.39 1wgw h THR 15 Cb 0.59 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.90 1wgw h THR 15 CO 0.03 0.00 0.62 -1.28 0.37 0.00 0.00 175.52 175.26 1wgw h SER 16 N -0.02 0.81 0.25 4.18 0.87 -1.36 1.48 113.55 119.76 1wgw h SER 16 Ca 0.21 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1wgw h SER 16 Cb 0.47 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1wgw h SER 16 CO -0.94 0.35 -0.12 0.00 -0.53 0.00 0.00 176.83 175.59 1wgw h ALA 17 N 1.60 -0.33 -0.25 6.23 0.00 0.15 1.10 119.26 127.77 1wgw h ALA 17 Ca 0.54 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 1wgw h ALA 17 Cb 0.76 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1wgw h ALA 17 CO -0.32 -0.65 -0.15 -0.07 0.00 0.00 0.00 179.25 178.05 1wgw h LEU 18 N -0.40 0.42 -0.70 0.00 3.38 0.11 -2.25 115.31 115.88 1wgw h LEU 18 Ca -0.03 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1wgw h LEU 18 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1wgw h LEU 18 CO 0.06 0.60 -0.51 0.03 0.09 0.00 0.00 178.44 178.70 1wgw h ARG 19 N 0.40 0.36 -0.33 1.13 2.47 0.25 -2.70 114.38 115.95 1wgw h ARG 19 Ca 0.07 -0.21 0.10 0.00 -1.26 0.00 0.00 59.98 58.68 1wgw h ARG 19 Cb 0.50 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1wgw h ARG 19 CO 0.03 0.79 0.27 1.03 0.56 0.00 0.00 179.97 182.65 1wgw h SER 20 N 0.29 0.00 0.02 7.04 0.87 0.19 0.31 113.55 122.26 1wgw h SER 20 Ca 0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1wgw h SER 20 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1wgw h SER 20 CO 0.09 0.00 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.31 1wgw h LEU 21 N 0.00 -0.02 -2.29 2.23 3.38 -1.45 -0.72 115.31 116.43 1wgw h LEU 21 Ca 0.16 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1wgw h LEU 21 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1wgw h LEU 21 CO -0.00 0.76 0.05 -1.28 0.09 0.00 0.00 178.44 178.06 1wgw h SER 22 N -0.83 0.00 0.17 -0.43 0.87 -1.15 0.59 113.55 112.77 1wgw h SER 22 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wgw h SER 22 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1wgw h SER 22 CO 0.00 0.00 -1.51 0.59 -0.53 0.00 0.00 176.83 175.39 1wgw n ASN 23 N -2.75 0.41 -4.78 6.23 4.13 -0.02 -4.90 115.26 113.58 1wgw n ASN 23 Ca -0.02 -0.23 -0.39 0.00 1.68 0.00 0.00 54.58 55.61 1wgw n ASN 23 Cb 0.10 1.41 -0.06 0.00 -1.54 0.00 0.00 39.78 39.70 1wgw n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wgw s ALA 24 N -3.33 3.53 -0.00 5.41 0.00 0.21 -4.97 121.76 122.60 1wgw s ALA 24 Ca -0.02 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.05 1wgw s ALA 24 Cb 0.14 -2.71 -0.24 0.00 0.00 0.00 0.00 23.12 20.32 1wgw s ALA 24 CO 0.87 0.27 0.82 1.15 0.00 0.00 0.00 175.76 178.87 1wgw h THR 25 N 3.85 1.09 -3.43 0.00 2.02 -1.90 -3.45 112.91 111.09 1wgw h THR 25 Ca -0.47 -2.86 -0.63 0.00 0.77 0.00 0.00 66.41 63.22 1wgw h THR 25 Cb 1.21 2.60 -0.19 0.00 -1.74 0.00 0.00 68.15 70.02 1wgw h THR 25 CO 0.67 0.70 -0.60 -0.63 0.37 0.00 0.00 175.52 176.03 1wgw s ILE 26 N -2.62 4.47 -0.74 3.11 -1.09 -1.26 -5.04 121.20 118.02 1wgw s ILE 26 Ca -0.06 -0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.21 1wgw s ILE 26 Cb 0.08 -3.03 0.18 0.00 -1.58 0.00 0.00 42.46 38.11 1wgw s ILE 26 CO 0.83 0.42 0.57 -0.63 -1.23 0.00 0.00 174.94 174.90 1wgw s ILE 27 N 0.83 3.83 0.54 2.92 -1.09 -1.26 -4.88 121.20 122.08 1wgw s ILE 27 Ca 0.03 -3.49 0.04 0.00 -2.23 0.00 0.00 60.65 55.00 1wgw s ILE 27 Cb -0.14 -3.45 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1wgw s ILE 27 CO 0.02 -0.97 0.29 0.54 -1.23 0.00 0.00 174.94 173.59 1wgw s ASN 28 N 0.06 4.48 0.14 3.58 2.20 -1.26 -5.01 114.94 119.14 1wgw s ASN 28 Ca 0.22 -1.38 -0.28 0.00 -0.94 0.00 0.00 52.86 50.48 1wgw s ASN 28 Cb -0.14 0.49 -0.03 0.00 -2.00 0.00 0.00 41.25 39.57 1wgw s ASN 28 CO -0.08 -1.05 1.58 -0.08 -2.94 0.00 0.00 177.10 174.53 1wgw h GLU 29 N 0.91 -0.40 -0.93 3.55 4.81 -1.96 -1.90 114.58 118.65 1wgw h GLU 29 Ca -0.39 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 58.96 1wgw h GLU 29 Cb 1.31 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 30.66 1wgw h GLU 29 CO 0.62 -0.27 -0.52 -1.91 -0.73 0.00 0.00 179.01 176.20 1wgw n GLU 30 N -5.43 -0.38 0.00 1.92 4.07 -1.26 -0.37 120.64 119.19 1wgw n GLU 30 Ca -0.03 1.40 0.00 0.00 -0.06 0.00 0.00 57.16 58.48 1wgw n GLU 30 Cb 0.36 -2.07 0.00 0.00 -0.06 0.00 0.00 31.44 29.67 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 -5.19 0.00 -0.12 6.31 0.31 -0.73 0.21 118.33 119.13 1wgw n VAL 31 Ca 0.03 1.42 -0.08 0.00 -0.01 0.00 0.00 64.34 65.70 1wgw n VAL 31 Cb 0.26 -1.91 -0.06 0.00 -0.91 0.00 0.00 33.84 31.22 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 -1.13 -0.89 7.52 6.46 -1.02 1.15 115.31 127.40 1wgw h LEU 32 Ca 0.00 0.15 0.12 0.00 -0.12 0.00 0.00 57.88 58.03 1wgw h LEU 32 Cb 0.00 0.47 -0.13 0.00 -0.73 0.00 0.00 40.66 40.27 1wgw h LEU 32 CO 0.00 -0.22 -0.47 -1.13 -0.62 0.00 0.00 178.44 176.01 1wgw h ASN 33 N -0.19 -1.69 0.28 1.25 -1.24 0.40 1.16 115.58 115.57 1wgw h ASN 33 Ca 0.05 0.30 0.00 0.00 0.71 0.00 0.00 56.30 57.37 1wgw h ASN 33 Cb 0.33 0.80 -0.03 0.00 0.73 0.00 0.00 38.32 40.15 1wgw h ASN 33 CO -0.39 -0.28 -0.41 0.00 -1.29 0.00 0.00 177.43 175.05 1wgw h ALA 34 N 0.90 -0.83 -0.57 1.57 0.00 0.43 -2.25 119.26 118.52 1wgw h ALA 34 Ca 0.24 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1wgw h ALA 34 Cb 0.53 0.64 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 1wgw h ALA 34 CO -0.89 -1.02 -0.14 1.98 0.00 0.00 0.00 179.25 179.18 1wgw h MET 35 N -0.75 0.01 -0.28 0.00 1.85 0.41 1.04 114.93 117.20 1wgw h MET 35 Ca -0.01 -0.00 0.08 0.00 -0.61 0.00 0.00 59.70 59.16 1wgw h MET 35 Cb 0.71 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.73 1wgw h MET 35 CO -0.14 0.00 0.46 -0.07 -0.40 0.00 0.00 176.91 176.77 1wgw h LEU 36 N 0.01 0.00 -0.34 3.39 3.38 0.18 1.49 115.31 123.41 1wgw h LEU 36 Ca 0.28 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.06 1wgw h LEU 36 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1wgw h LEU 36 CO -0.58 0.00 -0.83 0.50 0.09 0.00 0.00 178.44 177.62 1wgw h LYS 37 N 0.00 0.21 0.00 1.13 3.11 0.17 0.43 116.57 121.62 1wgw h LYS 37 Ca 0.13 -0.22 -0.14 0.00 -2.81 0.00 0.00 60.65 57.61 1wgw h LYS 37 Cb 1.06 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.32 1wgw h LYS 37 CO -0.00 0.93 -1.03 0.93 -2.81 0.00 0.00 179.45 177.46 1wgw h GLU 38 N 0.13 0.00 0.00 1.90 4.39 0.21 -3.22 114.58 117.99 1wgw h GLU 38 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1wgw h GLU 38 Cb 1.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1wgw h GLU 38 CO 0.13 0.40 -0.21 0.28 -1.16 0.00 0.00 179.01 178.44 1wgw h VAL 39 N 0.00 0.00 -1.21 3.13 2.07 -0.18 -3.23 116.25 116.83 1wgw h VAL 39 Ca -0.09 -0.99 0.35 0.00 0.82 0.00 0.00 66.70 66.79 1wgw h VAL 39 Cb 1.51 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1wgw h VAL 39 CO 0.06 0.00 1.03 0.00 0.02 0.00 0.00 177.57 178.68 1wgw h THR 41 N 0.00 0.24 -0.84 0.00 2.02 -1.64 0.05 112.91 112.74 1wgw h THR 41 Ca 0.57 -0.36 0.16 0.00 0.77 0.00 0.00 66.41 67.56 1wgw h THR 41 Cb 2.63 0.33 -0.16 0.00 -1.74 0.00 0.00 68.15 69.21 1wgw h THR 41 CO -0.01 0.03 -0.22 0.00 0.37 0.00 0.00 175.52 175.69 1wgw h ALA 42 N -0.88 0.51 0.18 6.16 0.00 -0.07 1.62 119.26 126.79 1wgw h ALA 42 Ca -0.08 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1wgw h ALA 42 Cb 0.66 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wgw h ALA 42 CO 0.13 -0.42 -0.09 -0.07 0.00 0.00 0.00 179.25 178.80 1wgw h LEU 43 N -0.01 -0.22 -1.74 0.00 -0.00 -1.43 -0.76 115.31 111.15 1wgw h LEU 43 Ca 0.39 0.01 0.09 0.00 -0.00 0.00 0.00 57.88 58.37 1wgw h LEU 43 Cb 0.61 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.30 1wgw h LEU 43 CO -0.86 -0.16 0.34 -0.07 -0.00 0.00 0.00 178.44 177.69 1wgw h LEU 44 N -0.26 0.27 -0.41 1.67 3.38 0.18 0.87 115.31 121.00 1wgw h LEU 44 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wgw h LEU 44 Cb 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wgw h LEU 44 CO 0.04 0.16 0.00 -0.62 0.09 0.00 0.00 178.44 178.11 1wgw n GLU 45 N -4.46 1.27 -0.12 1.13 1.02 0.51 -3.68 120.64 116.30 1wgw n GLU 45 Ca 0.08 -0.41 -0.24 0.00 -0.02 0.00 0.00 57.16 56.57 1wgw n GLU 45 Cb 0.35 -1.32 -0.09 0.00 -0.02 0.00 0.00 31.44 30.36 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 -0.37 1.03 0.00 0.62 0.00 0.30 -5.02 120.51 117.07 1wgw n ALA 46 Ca 0.15 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1wgw n ALA 46 Cb 0.16 -0.03 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 -0.25 0.00 0.00 0.00 177.50 177.25 1wgw n ASP 47 N -4.34 0.00 -4.26 0.00 8.00 -0.91 -5.10 116.55 109.94 1wgw n ASP 47 Ca -0.42 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.69 1wgw n ASP 47 Cb 0.76 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.87 1wgw n ASP 47 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wgw n VAL 48 N 0.00 0.13 -2.57 2.53 0.31 -1.22 -4.85 118.33 112.66 1wgw n VAL 48 Ca 0.00 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.43 1wgw n VAL 48 Cb 0.00 -0.04 -0.05 0.00 -0.91 0.00 0.00 33.84 32.84 1wgw n VAL 48 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1wgw s ASN 49 N -1.01 7.39 0.28 4.52 3.84 -1.26 -4.68 114.94 124.02 1wgw s ASN 49 Ca 0.57 2.12 0.03 0.00 0.21 0.00 0.00 52.86 55.80 1wgw s ASN 49 Cb -0.49 -2.62 0.65 0.00 -0.55 0.00 0.00 41.25 38.25 1wgw s ASN 49 CO 0.66 -0.07 1.76 -0.29 -2.79 0.00 0.00 177.10 176.37 1wgw h ILE 50 N 3.28 0.68 -0.42 -5.21 6.09 -1.96 0.29 117.51 120.26 1wgw h ILE 50 Ca -0.46 -0.23 -0.02 0.00 -1.37 0.00 0.00 64.86 62.79 1wgw h ILE 50 Cb 1.21 -0.03 -0.02 0.00 0.47 0.00 0.00 36.82 38.45 1wgw h ILE 50 CO 0.69 0.12 0.18 0.11 -3.07 0.00 0.00 178.15 176.18 1wgw h LYS 51 N 0.66 0.62 -0.70 2.19 6.56 -1.98 -0.37 116.57 123.54 1wgw h LYS 51 Ca 0.53 -0.10 0.04 0.00 -1.06 0.00 0.00 60.65 60.05 1wgw h LYS 51 Cb 0.82 -0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 32.33 1wgw h LYS 51 CO -0.39 0.56 0.43 -0.07 -2.06 0.00 0.00 179.45 177.91 1wgw h LEU 52 N 0.54 0.69 -1.79 2.94 -0.00 -0.96 0.24 115.31 116.97 1wgw h LEU 52 Ca 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1wgw h LEU 52 Cb 0.16 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1wgw h LEU 52 CO -0.01 0.47 0.00 0.58 -0.00 0.00 0.00 178.44 179.48 1wgw h VAL 53 N 0.83 0.00 0.00 1.22 2.07 -0.23 -0.67 116.25 119.47 1wgw h VAL 53 Ca 0.29 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1wgw h VAL 53 Cb 0.06 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1wgw h VAL 53 CO -0.12 0.00 -0.42 0.11 0.02 0.00 0.00 177.57 177.15 1wgw h LYS 54 N 0.00 0.00 0.00 1.57 1.57 0.12 -2.83 116.57 117.00 1wgw h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wgw h LYS 54 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1wgw h LYS 54 CO 0.00 0.42 -1.08 1.04 -0.57 0.00 0.00 179.45 179.26 1wgw n GLN 55 N -3.35 0.33 0.04 3.15 1.13 -0.37 -4.12 117.38 114.20 1wgw n GLN 55 Ca 0.01 -0.01 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 1wgw n GLN 55 Cb 0.62 -1.61 -0.01 0.00 0.11 0.00 0.00 30.24 29.35 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 -0.13 -0.90 1.08 6.46 -1.09 -2.75 115.31 117.98 1wgw h LEU 56 Ca 0.00 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.86 1wgw h LEU 56 Cb 0.76 0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 40.61 1wgw h LEU 56 CO 0.00 0.08 -0.50 -2.11 -0.62 0.00 0.00 178.44 175.29 1wgw n ARG 57 N -3.38 -0.36 -0.10 1.25 1.85 -1.08 0.99 116.66 115.82 1wgw n ARG 57 Ca -0.02 1.36 -0.07 0.00 -1.00 0.00 0.00 57.85 58.12 1wgw n ARG 57 Cb 0.06 -2.00 -0.01 0.00 -1.05 0.00 0.00 32.46 29.46 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 -0.23 -0.96 2.89 -0.00 -1.72 1.02 114.58 115.58 1wgw h GLU 58 Ca 0.17 0.02 0.09 0.00 -0.00 0.00 0.00 59.36 59.64 1wgw h GLU 58 Cb 0.40 0.05 -0.07 0.00 -0.00 0.00 0.00 28.75 29.13 1wgw h GLU 58 CO -0.85 -0.15 0.62 -0.91 -0.00 0.00 0.00 179.01 177.71 1wgw h ASN 59 N -0.24 0.93 0.66 3.06 2.35 0.22 0.83 115.58 123.39 1wgw h ASN 59 Ca 0.17 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1wgw h ASN 59 Cb 0.51 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1wgw h ASN 59 CO -0.49 0.56 -0.32 0.58 -1.65 0.00 0.00 177.43 176.11 1wgw h VAL 60 N 1.03 0.00 -0.96 2.81 2.07 0.39 -1.17 116.25 120.43 1wgw h VAL 60 Ca 0.44 -0.23 0.30 0.00 0.82 0.00 0.00 66.70 68.02 1wgw h VAL 60 Cb 0.32 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.94 1wgw h VAL 60 CO -0.19 0.00 0.44 0.11 0.02 0.00 0.00 177.57 177.95 1wgw h LYS 61 N -1.11 0.25 -0.22 1.57 1.57 0.13 0.76 116.57 119.52 1wgw h LYS 61 Ca -0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1wgw h LYS 61 Cb 0.68 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1wgw h LYS 61 CO 0.15 0.17 0.13 1.03 -0.57 0.00 0.00 179.45 180.35 1wgw h SER 62 N 0.26 0.27 -0.39 0.86 0.87 -0.68 -0.85 113.55 113.89 1wgw h SER 62 Ca 0.68 -0.06 0.11 0.00 -1.23 0.00 0.00 61.79 61.29 1wgw h SER 62 Cb 1.51 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 1wgw h SER 62 CO -0.64 0.25 0.48 0.00 -0.53 0.00 0.00 176.83 176.38 1wgw h ALA 63 N 1.03 2.06 -3.00 6.23 0.00 0.18 -3.39 119.26 122.37 1wgw h ALA 63 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wgw h ALA 63 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wgw h ALA 63 CO -0.01 -0.68 0.00 -0.89 0.00 0.00 0.00 179.25 177.67 1wgw n ILE 64 N -3.56 0.00 0.00 0.00 2.08 -0.32 -5.04 119.36 112.52 1wgw n ILE 64 Ca 0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.38 1wgw n ILE 64 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.53 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 -0.04 4.38 -0.08 -1.24 -5.04 116.55 114.53 1wgw n ASP 65 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 1wgw n ASP 65 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 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 -0.01 -0.91 -2.67 3.38 -1.96 -3.28 115.31 109.86 1wgw h LEU 66 Ca 0.00 -0.75 0.24 0.00 0.09 0.00 0.00 57.88 57.46 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 0.76 0.05 1.05 0.09 0.00 0.00 178.44 180.39 1wgw h GLU 67 N -0.79 0.06 0.00 1.13 4.11 -2.00 -3.38 114.58 113.72 1wgw h GLU 67 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1wgw h GLU 67 Cb 0.76 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1wgw h GLU 67 CO 0.00 0.04 0.00 -1.91 0.07 0.00 0.00 179.01 177.21 1wgw n GLU 68 N -5.41 2.86 -1.70 1.06 2.13 -1.24 -4.99 120.64 113.34 1wgw n GLU 68 Ca 0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1wgw n GLU 68 Cb 0.66 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.37 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 -3.04 -0.02 5.31 2.81 -1.26 -5.02 117.12 115.89 1wgw n MET 69 Ca 0.00 2.41 -0.03 0.00 -1.81 0.00 0.00 57.70 58.27 1wgw n MET 69 Cb 0.00 -2.84 -0.03 0.00 -0.71 0.00 0.00 33.22 29.65 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 1.06 1.89 0.00 3.04 0.00 -1.26 -5.11 120.51 120.13 1wgw n ALA 70 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1wgw n ALA 70 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.51 0.00 0.00 0.00 7.64 -1.26 -5.17 113.62 112.32 1wgw n SER 71 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1wgw n SER 71 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.08 1.59 2.45 0.23 0.00 -1.26 -4.81 105.19 103.30 1wgw n GLY 72 Ca 0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.07 7.03 -0.08 0.99 7.99 -1.26 -4.23 117.00 127.36 1wgw n LEU 73 Ca 0.00 -4.32 -0.15 0.00 -0.01 0.00 0.00 56.01 51.53 1wgw n LEU 73 Cb 0.00 -1.30 -0.14 0.00 -0.11 0.00 0.00 43.42 41.87 1wgw n LEU 73 CO 0.00 1.86 -1.10 -3.20 -1.51 0.00 0.00 177.39 173.44 1wgw n ASN 74 N 1.37 1.28 -0.35 -1.43 2.85 -1.26 -4.34 115.26 113.38 1wgw n ASN 74 Ca 0.54 0.03 0.01 0.00 -0.11 0.00 0.00 54.58 55.05 1wgw n ASN 74 Cb 0.46 -0.03 0.07 0.00 1.24 0.00 0.00 39.78 41.52 1wgw n ASN 74 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1wgw h LYS 75 N 0.01 -0.02 -0.90 1.20 -0.00 -1.95 1.54 116.57 116.46 1wgw h LYS 75 Ca -0.51 0.00 0.13 0.00 -0.00 0.00 0.00 60.65 60.27 1wgw h LYS 75 Cb 2.04 0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 34.19 1wgw h LYS 75 CO -0.00 -0.01 0.52 0.00 -0.00 0.00 0.00 179.45 179.95 1wgw h ARG 76 N -0.02 0.76 0.00 0.07 3.08 -1.92 0.69 114.38 117.05 1wgw h ARG 76 Ca 0.38 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1wgw h ARG 76 Cb 0.63 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1wgw h ARG 76 CO -0.96 0.50 0.00 1.63 -1.07 0.00 0.00 179.97 180.08 1wgw n LYS 77 N -4.76 0.00 0.06 0.04 4.76 0.50 0.11 118.16 118.88 1wgw n LYS 77 Ca 0.17 0.42 0.21 0.00 -2.87 0.00 0.00 58.31 56.24 1wgw n LYS 77 Cb 0.38 -1.34 0.64 0.00 -1.84 0.00 0.00 35.03 32.87 1wgw n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgw h MET 78 N 0.00 0.00 0.24 1.97 -0.00 -0.68 0.10 114.93 116.56 1wgw h MET 78 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 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 -0.12 0.82 -0.00 0.00 0.00 176.91 177.61 1wgw h ILE 79 N 0.00 0.12 -0.85 -0.10 2.04 0.62 0.75 117.51 120.10 1wgw h ILE 79 Ca 0.23 -0.82 0.25 0.00 1.00 0.00 0.00 64.86 65.52 1wgw h ILE 79 Cb 1.53 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1wgw h ILE 79 CO -0.00 0.03 0.88 -0.61 0.00 0.00 0.00 178.15 178.45 1wgw h GLN 80 N -1.07 0.00 0.00 2.37 4.15 0.17 0.47 115.11 121.20 1wgw h GLN 80 Ca -0.03 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.11 1wgw h GLN 80 Cb 0.30 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1wgw h GLN 80 CO 0.05 0.00 -1.57 1.58 -1.93 0.00 0.00 178.83 176.96 1wgw n HIS 81 N -3.56 0.70 -0.27 3.99 -0.00 -0.82 -3.27 115.22 111.99 1wgw n HIS 81 Ca 0.18 0.30 0.09 0.00 0.46 0.00 0.00 57.72 58.75 1wgw n HIS 81 Cb 1.16 -1.04 0.23 0.00 -0.12 0.00 0.00 29.99 30.22 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 -0.68 1.09 0.28 1.57 0.00 0.31 1.48 119.26 123.32 1wgw h ALA 82 Ca -0.42 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1wgw h ALA 82 Cb 1.33 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1wgw h ALA 82 CO -0.25 -0.37 -0.14 0.28 0.00 0.00 0.00 179.25 178.77 1wgw h VAL 83 N 0.26 0.00 -0.03 0.00 2.07 -0.39 -0.54 116.25 117.63 1wgw h VAL 83 Ca 0.47 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.93 1wgw h VAL 83 Cb 0.86 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1wgw h VAL 83 CO -0.56 0.00 0.42 -0.26 0.02 0.00 0.00 177.57 177.19 1wgw h PHE 84 N -0.44 0.00 0.00 1.57 -1.00 -1.38 -2.19 116.94 113.50 1wgw h PHE 84 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1wgw h PHE 84 Cb 0.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1wgw h PHE 84 CO 0.12 0.00 0.00 1.17 -1.61 0.00 0.00 178.31 177.99 1wgw n LYS 85 N -2.89 0.00 -0.61 1.51 0.00 0.50 -3.45 118.16 113.22 1wgw n LYS 85 Ca -0.01 0.47 0.47 0.00 0.00 0.00 0.00 58.31 59.25 1wgw n LYS 85 Cb 0.47 -1.09 0.73 0.00 0.00 0.00 0.00 35.03 35.14 1wgw n LYS 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wgw n GLU 86 N -1.92 0.00 0.00 1.64 -0.58 -0.24 -1.31 120.64 118.23 1wgw n GLU 86 Ca 0.00 1.01 0.00 0.00 -0.42 0.00 0.00 57.16 57.75 1wgw n GLU 86 Cb 0.00 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 28.50 1wgw n GLU 86 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wgw n LEU 87 N -3.72 0.00 0.00 -4.62 4.77 -0.93 -4.83 117.00 107.67 1wgw n LEU 87 Ca 0.40 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 1wgw n LEU 87 Cb 1.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.94 1wgw n LEU 87 CO 0.40 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.98 1wgw n VAL 88 N -0.51 0.00 -2.43 4.08 0.31 -0.42 -4.70 118.33 114.64 1wgw n VAL 88 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1wgw n VAL 88 Cb 0.00 -0.16 0.01 0.00 -0.91 0.00 0.00 33.84 32.78 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 -1.98 0.00 -4.07 5.55 4.76 -1.26 -4.60 118.16 116.56 1wgw n LYS 89 Ca 0.00 -1.86 -0.10 0.00 -2.87 0.00 0.00 58.31 53.48 1wgw n LYS 89 Cb 0.01 -0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.09 1wgw n LYS 89 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wgw s VAL 90 N 0.00 0.36 0.00 -0.18 1.01 -1.26 -4.97 120.40 115.36 1wgw s VAL 90 Ca 0.30 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1wgw s VAL 90 Cb 0.34 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1wgw s VAL 90 CO -0.15 -0.70 0.00 1.17 0.00 0.00 0.00 175.10 175.42 1wgw n LYS 91 N 0.78 0.00 -4.25 2.72 3.00 -1.26 -4.59 118.16 114.56 1wgw n LYS 91 Ca -0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.78 1wgw n LYS 91 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.52 1wgw n LYS 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wgw s VAL 92 N 0.00 4.54 0.41 3.15 0.11 -1.26 -4.98 120.40 122.38 1wgw s VAL 92 Ca 0.00 -0.15 0.26 0.00 -2.93 0.00 0.00 61.98 59.16 1wgw s VAL 92 Cb 0.00 -2.95 0.44 0.00 -1.53 0.00 0.00 36.38 32.34 1wgw s VAL 92 CO 0.00 0.58 1.63 0.10 -3.33 0.00 0.00 175.10 174.09 1wgw h TYR 93 N 5.41 0.63 0.00 1.54 -0.00 -1.91 -3.42 116.97 119.22 1wgw h TYR 93 Ca -0.49 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 1wgw h TYR 93 Cb 1.20 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 37.77 1wgw h TYR 93 CO 0.64 -0.22 0.00 0.45 -0.00 0.00 0.00 178.16 179.03 1wgw n SER 94 N -4.82 0.00 0.00 0.10 2.88 -1.26 -4.62 113.62 105.90 1wgw n SER 94 Ca 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1wgw n SER 94 Cb 1.31 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.88 1wgw n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 95 N -1.05 1.00 1.80 0.46 0.00 -1.26 -4.71 105.19 101.42 1wgw n GLY 95 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 0.74 -1.34 0.13 1.61 -0.04 -1.26 -5.01 135.00 129.83 1wgw n PRO 96 Ca 0.00 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 1wgw n PRO 96 Cb 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1wgw n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgw n SER 97 N -3.66 -2.25 -1.66 3.54 7.64 -1.26 -5.15 113.62 110.81 1wgw n SER 97 Ca 0.08 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1wgw n SER 97 Cb 0.28 2.29 0.00 0.00 -1.01 0.00 0.00 64.21 65.78 1wgw n SER 97 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgw n SER 98 N -3.13 -8.06 0.00 6.43 7.64 -1.26 -5.26 113.62 109.98 1wgw n SER 98 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1wgw n SER 98 Cb 0.00 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.01 1wgw n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64