#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 -0.76 -3.08 1.61 3.41 -1.26 -4.29 113.62 109.26 1wgw n SER 2 Ca 0.00 0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1wgw n SER 2 Cb 0.00 -1.36 0.01 0.00 -0.26 0.00 0.00 64.21 62.60 1wgw n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wgw n SER 3 N -4.58 -6.99 0.00 4.04 2.88 -1.26 -4.89 113.62 102.82 1wgw n SER 3 Ca 0.07 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1wgw n SER 3 Cb 0.53 -3.47 0.00 0.00 -0.75 0.00 0.00 64.21 60.52 1wgw n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 4 N 0.35 0.87 3.15 0.46 0.00 -1.26 -5.09 105.19 103.67 1wgw n GLY 4 Ca 0.01 -1.98 0.06 0.00 0.00 0.00 0.00 46.02 44.11 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 -4.00 -0.16 0.00 1.61 0.15 -1.26 -4.98 113.70 105.06 1wgw s SER 5 Ca 0.00 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1wgw s SER 5 Cb 0.00 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1wgw s SER 5 CO 0.00 -0.03 0.00 -0.24 1.20 0.00 0.00 173.24 174.17 1wgw n SER 6 N 5.44 0.00 0.00 5.45 2.88 -1.26 -5.13 113.62 121.00 1wgw n SER 6 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1wgw n SER 6 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.04 0.74 5.63 0.46 0.00 -1.26 -4.72 105.19 106.00 1wgw n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.35 4.61 0.00 -1.26 -4.28 120.51 116.24 1wgw n ALA 8 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1wgw n ALA 8 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.10 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 0.19 0.00 0.00 3.32 -1.98 -1.55 116.42 116.40 1wgw h ASP 9 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1wgw h ASP 9 Cb 0.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1wgw h ASP 9 CO 0.00 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 1wgw n LEU 10 N -4.39 0.00 -0.06 1.55 4.77 -1.26 -1.03 117.00 116.58 1wgw n LEU 10 Ca 0.27 0.69 0.25 0.00 -0.03 0.00 0.00 56.01 57.19 1wgw n LEU 10 Cb 1.15 -0.19 0.64 0.00 -2.33 0.00 0.00 43.42 42.69 1wgw n LEU 10 CO 0.33 -0.19 1.22 1.23 -1.33 0.00 0.00 177.39 178.65 1wgw h GLY 11 N 0.00 0.00 1.29 -0.72 0.00 -1.76 0.98 103.07 102.86 1wgw h GLY 11 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1wgw h GLY 11 CO 0.00 0.00 -0.04 3.21 0.00 0.00 0.00 176.54 179.71 1wgw h ARG 12 N 0.00 0.86 -0.05 4.80 3.08 -0.32 1.21 114.38 123.97 1wgw h ARG 12 Ca 0.34 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1wgw h ARG 12 Cb 1.87 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.83 1wgw h ARG 12 CO -0.00 0.88 0.02 0.87 -1.07 0.00 0.00 179.97 180.67 1wgw h LYS 13 N 0.79 0.07 -0.15 0.04 1.57 0.27 -2.51 116.57 116.64 1wgw h LYS 13 Ca 0.14 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1wgw h LYS 13 Cb 0.53 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1wgw h LYS 13 CO 0.03 0.15 -0.25 0.82 -0.57 0.00 0.00 179.45 179.63 1wgw h ILE 14 N -0.03 1.36 -0.99 1.86 2.04 -1.40 -3.10 117.51 117.24 1wgw h ILE 14 Ca 0.02 -1.49 0.36 0.00 1.00 0.00 0.00 64.86 64.75 1wgw h ILE 14 Cb 0.11 1.95 -0.18 0.00 -0.74 0.00 0.00 36.82 37.96 1wgw h ILE 14 CO -0.00 0.44 0.37 0.74 0.00 0.00 0.00 178.15 179.70 1wgw h THR 15 N 0.06 0.05 -0.38 -0.27 2.02 0.16 1.46 112.91 116.02 1wgw h THR 15 Ca 0.01 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1wgw h THR 15 Cb 0.83 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1wgw h THR 15 CO 0.06 0.01 -0.02 0.28 0.37 0.00 0.00 175.52 176.21 1wgw h SER 16 N 0.05 0.67 0.16 4.18 0.02 -1.38 -1.72 113.55 115.52 1wgw h SER 16 Ca 0.75 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 61.38 1wgw h SER 16 Cb 1.83 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 64.14 1wgw h SER 16 CO -0.80 0.83 -0.50 0.00 -1.14 0.00 0.00 176.83 175.23 1wgw h ALA 17 N 0.86 -0.99 -0.94 3.77 0.00 0.20 0.29 119.26 122.45 1wgw h ALA 17 Ca 0.10 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1wgw h ALA 17 Cb 0.50 0.86 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1wgw h ALA 17 CO 0.02 -1.11 0.60 -0.07 0.00 0.00 0.00 179.25 178.70 1wgw h LEU 18 N -0.74 0.66 -0.36 0.00 3.38 -1.21 0.68 115.31 117.72 1wgw h LEU 18 Ca -0.01 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1wgw h LEU 18 Cb 0.73 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1wgw h LEU 18 CO -0.25 0.29 0.22 -0.09 0.09 0.00 0.00 178.44 178.71 1wgw h ARG 19 N 0.68 0.44 -1.22 1.13 2.43 -0.02 -1.42 114.38 116.40 1wgw h ARG 19 Ca 0.50 -0.03 0.36 0.00 -0.81 0.00 0.00 59.98 60.00 1wgw h ARG 19 Cb 0.86 -0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.22 1wgw h ARG 19 CO -0.25 0.29 0.81 1.03 -1.51 0.00 0.00 179.97 180.33 1wgw h SER 20 N 0.45 0.27 0.42 -3.80 0.87 0.19 0.20 113.55 112.16 1wgw h SER 20 Ca 0.14 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1wgw h SER 20 Cb -0.02 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1wgw h SER 20 CO -0.05 -0.03 -0.20 -0.07 -0.53 0.00 0.00 176.83 175.95 1wgw h LEU 21 N 0.19 -0.48 -1.79 2.23 3.38 -1.20 -2.63 115.31 115.02 1wgw h LEU 21 Ca 0.69 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.97 1wgw h LEU 21 Cb 2.14 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.97 1wgw h LEU 21 CO -0.27 -0.05 0.88 -1.28 0.09 0.00 0.00 178.44 177.81 1wgw h SER 22 N -1.15 0.00 -0.96 -0.43 0.87 -0.54 1.43 113.55 112.76 1wgw h SER 22 Ca -0.06 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.88 1wgw h SER 22 Cb 0.44 0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 62.03 1wgw h SER 22 CO 0.10 0.00 -0.01 0.59 -0.53 0.00 0.00 176.83 176.98 1wgw n ASN 23 N -3.82 6.22 -4.48 6.23 3.02 0.48 -4.98 115.26 117.92 1wgw n ASN 23 Ca 0.22 -3.77 -0.31 0.00 -0.03 0.00 0.00 54.58 50.69 1wgw n ASN 23 Cb 1.21 -0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 39.61 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 -3.72 2.65 -0.19 5.41 0.00 0.49 -4.91 121.76 121.50 1wgw s ALA 24 Ca 0.57 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 1wgw s ALA 24 Cb 0.45 -0.76 -0.21 0.00 0.00 0.00 0.00 23.12 22.60 1wgw s ALA 24 CO -0.02 0.58 0.13 2.41 0.00 0.00 0.00 175.76 178.86 1wgw n THR 25 N 1.41 1.64 -3.87 0.00 -1.04 -1.26 -4.86 114.28 106.30 1wgw n THR 25 Ca -0.16 -0.45 -0.36 0.00 -2.04 0.00 0.00 64.05 61.05 1wgw n THR 25 Cb 0.52 -1.77 -0.12 0.00 -1.82 0.00 0.00 70.33 67.14 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 -2.50 4.39 -0.64 12.58 -1.09 -1.26 -5.05 121.20 127.64 1wgw s ILE 26 Ca -0.28 -0.15 -0.07 0.00 -2.23 0.00 0.00 60.65 57.91 1wgw s ILE 26 Cb 0.08 -3.03 0.17 0.00 -1.58 0.00 0.00 42.46 38.10 1wgw s ILE 26 CO 0.66 0.38 0.50 -0.63 -1.23 0.00 0.00 174.94 174.61 1wgw s ILE 27 N 1.23 4.33 0.29 2.92 -1.09 -1.26 -4.85 121.20 122.77 1wgw s ILE 27 Ca 0.05 -2.52 0.02 0.00 -2.23 0.00 0.00 60.65 55.97 1wgw s ILE 27 Cb -0.14 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 36.89 1wgw s ILE 27 CO 0.03 -0.89 0.08 0.54 -1.23 0.00 0.00 174.94 173.47 1wgw s ASN 28 N 1.60 1.69 0.20 3.58 2.20 -1.26 -5.04 114.94 117.91 1wgw s ASN 28 Ca 0.14 -1.38 -0.18 0.00 -0.94 0.00 0.00 52.86 50.50 1wgw s ASN 28 Cb -0.19 0.06 0.18 0.00 -2.00 0.00 0.00 41.25 39.30 1wgw s ASN 28 CO -0.04 -0.68 1.59 -0.08 -2.94 0.00 0.00 177.10 174.95 1wgw h GLU 29 N 2.27 -0.10 -0.89 3.55 4.81 -1.97 -0.31 114.58 121.94 1wgw h GLU 29 Ca -0.39 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 58.95 1wgw h GLU 29 Cb 1.25 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.53 1wgw h GLU 29 CO 0.65 -0.07 -0.45 -1.91 -0.73 0.00 0.00 179.01 176.50 1wgw n GLU 30 N -5.45 -0.31 0.00 1.92 4.07 -1.26 -0.68 120.64 118.93 1wgw n GLU 30 Ca 0.06 1.36 0.00 0.00 -0.06 0.00 0.00 57.16 58.52 1wgw n GLU 30 Cb 0.37 -2.00 0.00 0.00 -0.06 0.00 0.00 31.44 29.74 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 -5.20 0.00 -0.12 6.31 0.31 -0.13 0.20 118.33 119.70 1wgw n VAL 31 Ca 0.05 1.45 -0.08 0.00 -0.01 0.00 0.00 64.34 65.75 1wgw n VAL 31 Cb 0.29 -1.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.21 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 -1.17 -0.93 7.52 6.46 -1.07 1.32 115.31 127.45 1wgw h LEU 32 Ca 0.00 0.16 0.16 0.00 -0.12 0.00 0.00 57.88 58.08 1wgw h LEU 32 Cb 0.00 0.49 -0.16 0.00 -0.73 0.00 0.00 40.66 40.26 1wgw h LEU 32 CO 0.00 -0.23 -0.34 -1.13 -0.62 0.00 0.00 178.44 176.13 1wgw h ASN 33 N -0.20 -1.25 0.75 1.25 -1.24 0.14 0.49 115.58 115.52 1wgw h ASN 33 Ca 0.05 0.29 -0.03 0.00 0.71 0.00 0.00 56.30 57.32 1wgw h ASN 33 Cb 0.34 0.69 0.00 0.00 0.73 0.00 0.00 38.32 40.08 1wgw h ASN 33 CO -0.40 -0.30 -0.42 0.00 -1.29 0.00 0.00 177.43 175.02 1wgw h ALA 34 N 1.48 -1.10 -0.87 1.57 0.00 0.47 -2.73 119.26 118.08 1wgw h ALA 34 Ca 0.36 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.23 1wgw h ALA 34 Cb 0.62 0.50 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 1wgw h ALA 34 CO -0.94 -1.13 -0.16 1.98 0.00 0.00 0.00 179.25 179.00 1wgw h MET 35 N -1.08 0.01 -1.01 0.00 1.85 0.44 1.44 114.93 116.59 1wgw h MET 35 Ca -0.10 -0.00 0.24 0.00 -0.61 0.00 0.00 59.70 59.23 1wgw h MET 35 Cb 0.86 -0.00 -0.10 0.00 0.43 0.00 0.00 31.60 32.78 1wgw h MET 35 CO 0.12 0.01 0.64 -0.07 -0.40 0.00 0.00 176.91 177.21 1wgw h LEU 36 N 0.01 0.55 -1.83 3.39 3.38 0.12 1.60 115.31 122.54 1wgw h LEU 36 Ca 0.44 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 1wgw h LEU 36 Cb 0.73 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wgw h LEU 36 CO -0.87 0.14 -0.02 0.50 0.09 0.00 0.00 178.44 178.28 1wgw h LYS 37 N 0.51 0.08 0.00 1.13 3.64 0.22 1.52 116.57 123.67 1wgw h LYS 37 Ca 0.59 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.77 1wgw h LYS 37 Cb 1.29 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 1wgw h LYS 37 CO -0.33 0.11 -1.29 0.93 -2.27 0.00 0.00 179.45 176.59 1wgw h GLU 38 N 0.08 0.00 0.00 1.90 4.39 0.23 -3.24 114.58 117.94 1wgw h GLU 38 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1wgw h GLU 38 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1wgw h GLU 38 CO 0.00 0.45 -0.07 0.28 -1.16 0.00 0.00 179.01 178.52 1wgw h VAL 39 N 0.00 0.00 -1.00 3.13 2.07 0.11 -3.24 116.25 117.32 1wgw h VAL 39 Ca -0.15 -0.88 0.38 0.00 0.82 0.00 0.00 66.70 66.87 1wgw h VAL 39 Cb 1.68 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.28 1wgw h VAL 39 CO 0.07 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.20 1wgw h THR 41 N 0.12 0.33 -0.74 0.00 2.02 -1.66 0.11 112.91 113.09 1wgw h THR 41 Ca 0.80 0.00 0.14 0.00 0.77 0.00 0.00 66.41 68.13 1wgw h THR 41 Cb 2.01 0.33 -0.14 0.00 -1.74 0.00 0.00 68.15 68.62 1wgw h THR 41 CO -0.71 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 174.95 1wgw h ALA 42 N 0.23 0.37 -0.59 6.16 0.00 0.56 1.64 119.26 127.62 1wgw h ALA 42 Ca 0.05 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1wgw h ALA 42 Cb 0.55 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1wgw h ALA 42 CO -0.22 -0.47 0.36 -0.07 0.00 0.00 0.00 179.25 178.84 1wgw h LEU 43 N -0.03 0.59 -1.41 0.00 -0.00 -1.02 -0.16 115.31 113.27 1wgw h LEU 43 Ca 0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.17 1wgw h LEU 43 Cb 0.56 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1wgw h LEU 43 CO -0.78 0.41 -0.15 -0.07 -0.00 0.00 0.00 178.44 177.85 1wgw h LEU 44 N 0.71 0.20 0.00 1.67 3.38 0.29 0.29 115.31 121.85 1wgw h LEU 44 Ca 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1wgw h LEU 44 Cb 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1wgw h LEU 44 CO -0.10 0.37 0.00 -0.62 0.09 0.00 0.00 178.44 178.18 1wgw n GLU 45 N -4.27 0.99 0.00 1.13 1.02 0.50 -4.21 120.64 115.80 1wgw n GLU 45 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1wgw n GLU 45 Cb 0.28 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 -0.79 0.00 0.00 0.62 0.00 0.08 -5.03 120.51 115.39 1wgw n ALA 46 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wgw n ALA 46 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.93 0.00 -3.22 0.00 8.00 -1.14 -5.12 116.55 114.15 1wgw n ASP 47 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1wgw n ASP 47 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 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 0.00 0.00 -3.70 2.53 0.24 -1.24 -5.08 118.33 111.07 1wgw n VAL 48 Ca 0.00 -0.78 -0.37 0.00 -2.04 0.00 0.00 64.34 61.15 1wgw n VAL 48 Cb 0.00 -0.95 -0.10 0.00 -1.47 0.00 0.00 33.84 31.32 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 -2.67 5.91 0.21 -1.34 3.84 -1.26 -4.97 114.94 114.65 1wgw s ASN 49 Ca 0.28 0.04 -0.19 0.00 0.21 0.00 0.00 52.86 53.20 1wgw s ASN 49 Cb -0.02 -2.07 0.18 0.00 -0.55 0.00 0.00 41.25 38.80 1wgw s ASN 49 CO 0.18 0.04 1.49 0.00 -2.79 0.00 0.00 177.10 176.02 1wgw n ILE 50 N 4.42 -0.53 -0.23 -5.21 0.00 -1.26 0.17 119.36 116.71 1wgw n ILE 50 Ca -0.15 2.26 0.02 0.00 0.00 0.00 0.00 62.75 64.88 1wgw n ILE 50 Cb 0.52 -2.95 0.11 0.00 0.00 0.00 0.00 39.64 37.31 1wgw n ILE 50 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1wgw h LYS 51 N 0.00 0.05 -0.79 9.51 1.79 -1.98 0.88 116.57 126.03 1wgw h LYS 51 Ca 0.30 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.75 1wgw h LYS 51 Cb 0.54 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.14 1wgw h LYS 51 CO -0.94 0.03 0.42 -0.07 -1.08 0.00 0.00 179.45 177.81 1wgw h LEU 52 N 0.05 0.98 -1.81 2.94 -0.00 0.12 0.31 115.31 117.90 1wgw h LEU 52 Ca 0.35 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 58.12 1wgw h LEU 52 Cb 0.58 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1wgw h LEU 52 CO -0.66 0.80 -0.14 0.58 -0.00 0.00 0.00 178.44 179.02 1wgw h VAL 53 N 1.10 0.63 0.00 1.22 2.07 0.47 0.33 116.25 122.06 1wgw h VAL 53 Ca 0.28 -0.61 -0.24 0.00 0.82 0.00 0.00 66.70 66.95 1wgw h VAL 53 Cb 0.04 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1wgw h VAL 53 CO -0.04 0.14 -1.35 0.50 0.02 0.00 0.00 177.57 176.84 1wgw h LYS 54 N 0.00 0.00 0.00 1.57 3.64 0.19 -2.99 116.57 118.98 1wgw h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1wgw h LYS 54 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1wgw h LYS 54 CO 0.02 0.64 -0.25 0.00 -2.27 0.00 0.00 179.45 177.58 1wgw n GLN 55 N -3.14 0.23 -0.06 1.90 10.64 0.87 -3.69 117.38 124.13 1wgw n GLN 55 Ca -0.09 0.14 -0.04 0.00 -1.83 0.00 0.00 57.00 55.18 1wgw n GLN 55 Cb 0.97 -1.71 -0.02 0.00 -0.86 0.00 0.00 30.24 28.61 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 -0.96 2.61 6.46 -0.44 -2.83 115.31 120.14 1wgw h LEU 56 Ca 0.00 -0.09 0.19 0.00 -0.12 0.00 0.00 57.88 57.86 1wgw h LEU 56 Cb 0.70 0.00 -0.18 0.00 -0.73 0.00 0.00 40.66 40.45 1wgw h LEU 56 CO 0.00 0.68 -0.24 -2.11 -0.62 0.00 0.00 178.44 176.15 1wgw n ARG 57 N -4.69 -0.09 0.26 1.25 1.85 -1.13 0.84 116.66 114.96 1wgw n ARG 57 Ca -0.05 1.50 -0.15 0.00 -1.00 0.00 0.00 57.85 58.15 1wgw n ARG 57 Cb 0.17 -2.24 -0.08 0.00 -1.05 0.00 0.00 32.46 29.26 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 -0.65 -0.91 2.89 4.11 -1.72 -1.67 114.58 116.62 1wgw h GLU 58 Ca 0.46 0.04 0.25 0.00 0.07 0.00 0.00 59.36 60.18 1wgw h GLU 58 Cb 0.70 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 29.96 1wgw h GLU 58 CO -0.99 -0.35 0.36 -0.91 0.07 0.00 0.00 179.01 177.20 1wgw h ASN 59 N -0.91 0.23 0.60 3.06 2.35 -0.37 0.76 115.58 121.31 1wgw h ASN 59 Ca -0.07 0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1wgw h ASN 59 Cb 0.60 0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1wgw h ASN 59 CO 0.11 -0.09 -0.32 0.58 -1.65 0.00 0.00 177.43 176.06 1wgw h VAL 60 N 0.31 0.00 -1.01 2.81 2.07 0.63 0.26 116.25 121.32 1wgw h VAL 60 Ca 0.59 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.34 1wgw h VAL 60 Cb 1.21 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 1wgw h VAL 60 CO -0.60 0.00 0.62 0.11 0.02 0.00 0.00 177.57 177.72 1wgw h LYS 61 N -0.85 0.58 0.00 1.57 1.57 -0.14 1.24 116.57 120.53 1wgw h LYS 61 Ca -0.08 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1wgw h LYS 61 Cb 0.66 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1wgw h LYS 61 CO 0.11 0.38 -0.28 0.77 -0.57 0.00 0.00 179.45 179.87 1wgw h SER 62 N 0.59 0.00 0.78 0.86 0.02 0.94 -0.48 113.55 116.27 1wgw h SER 62 Ca 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 1wgw h SER 62 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1wgw h SER 62 CO -0.38 0.28 0.00 0.00 -1.14 0.00 0.00 176.83 175.59 1wgw n ALA 63 N -2.47 1.69 -2.43 3.77 0.00 0.42 -4.71 120.51 116.79 1wgw n ALA 63 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1wgw n ALA 63 Cb 0.33 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.28 0.00 0.00 0.00 2.08 -0.19 -5.04 119.36 113.94 1wgw n ILE 64 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 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 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 1wgw n ASP 65 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 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 0.04 -0.95 -2.67 3.38 -1.99 -3.36 115.31 109.76 1wgw h LEU 66 Ca 0.00 -0.67 0.29 0.00 0.09 0.00 0.00 57.88 57.59 1wgw h LEU 66 Cb 0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 40.59 1wgw h LEU 66 CO 0.00 1.39 0.42 1.05 0.09 0.00 0.00 178.44 181.39 1wgw h GLU 67 N -0.92 0.26 0.00 1.13 4.11 -2.00 -3.39 114.58 113.78 1wgw h GLU 67 Ca -0.26 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1wgw h GLU 67 Cb 1.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wgw h GLU 67 CO -0.13 0.17 0.00 -1.91 0.07 0.00 0.00 179.01 177.21 1wgw n GLU 68 N -5.13 3.75 -2.32 1.06 2.13 -1.26 -4.99 120.64 113.88 1wgw n GLU 68 Ca 0.27 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.08 1wgw n GLU 68 Cb 0.86 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.56 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 -4.62 -0.35 5.31 2.81 -1.26 -4.78 117.12 114.24 1wgw n MET 69 Ca 0.00 3.43 0.16 0.00 -1.81 0.00 0.00 57.70 59.48 1wgw n MET 69 Cb 0.00 -4.51 0.37 0.00 -0.71 0.00 0.00 33.22 28.37 1wgw n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wgw h ALA 70 N 3.87 1.76 0.00 3.04 0.00 -1.95 -3.45 119.26 122.53 1wgw h ALA 70 Ca -0.17 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wgw h ALA 70 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wgw h ALA 70 CO 0.00 -0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.49 1wgw n SER 71 N -4.82 0.00 0.00 0.00 7.64 -1.26 -5.19 113.62 109.99 1wgw n SER 71 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1wgw n SER 71 Cb 0.68 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 -0.68 3.98 2.55 0.23 0.00 -1.26 -4.92 105.19 105.09 1wgw n GLY 72 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 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 6.72 0.01 0.99 4.77 -1.26 -4.22 117.00 124.02 1wgw n LEU 73 Ca 0.00 -4.24 0.11 0.00 -0.03 0.00 0.00 56.01 51.85 1wgw n LEU 73 Cb 0.00 -1.22 -0.07 0.00 -2.33 0.00 0.00 43.42 39.80 1wgw n LEU 73 CO 0.00 1.76 -0.26 0.59 -1.33 0.00 0.00 177.39 178.14 1wgw n ASN 74 N 0.72 0.50 -0.02 -1.43 3.02 -1.26 -4.40 115.26 112.39 1wgw n ASN 74 Ca 0.50 -0.26 -0.05 0.00 -0.03 0.00 0.00 54.58 54.74 1wgw n ASN 74 Cb 0.49 1.22 -0.03 0.00 -0.61 0.00 0.00 39.78 40.84 1wgw n ASN 74 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1wgw h LYS 75 N 0.00 -0.17 -1.01 3.52 6.56 -1.98 1.06 116.57 124.56 1wgw h LYS 75 Ca 0.00 0.01 0.25 0.00 -1.06 0.00 0.00 60.65 59.85 1wgw h LYS 75 Cb 0.79 0.04 -0.09 0.00 -0.57 0.00 0.00 32.23 32.40 1wgw h LYS 75 CO 0.00 -0.11 0.65 0.07 -2.06 0.00 0.00 179.45 178.00 1wgw h ARG 76 N -0.17 0.40 0.00 3.15 0.11 -1.94 1.45 114.38 117.38 1wgw h ARG 76 Ca 0.02 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1wgw h ARG 76 Cb 0.22 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1wgw h ARG 76 CO -0.18 0.27 0.00 1.63 0.10 0.00 0.00 179.97 181.79 1wgw n LYS 77 N -4.60 0.00 0.29 0.08 5.02 0.47 -0.28 118.16 119.15 1wgw n LYS 77 Ca 0.24 0.46 0.18 0.00 -2.02 0.00 0.00 58.31 57.17 1wgw n LYS 77 Cb 0.82 -1.34 0.94 0.00 -0.02 0.00 0.00 35.03 35.43 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 -0.02 1.97 -0.00 0.15 -0.19 114.93 116.84 1wgw h MET 78 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 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 -0.21 0.82 -0.00 0.00 0.00 176.91 177.52 1wgw h ILE 79 N 0.00 1.50 -0.62 -0.10 2.04 0.21 0.92 117.51 121.47 1wgw h ILE 79 Ca 0.03 -1.78 0.18 0.00 1.00 0.00 0.00 64.86 64.29 1wgw h ILE 79 Cb 0.45 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 1wgw h ILE 79 CO -0.00 0.49 0.65 -0.61 0.00 0.00 0.00 178.15 178.68 1wgw h GLN 80 N -0.43 0.00 0.00 2.37 4.15 0.13 0.14 115.11 121.47 1wgw h GLN 80 Ca -0.02 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.22 1wgw h GLN 80 Cb 0.91 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.57 1wgw h GLN 80 CO 0.04 0.00 -1.25 1.58 -1.93 0.00 0.00 178.83 177.28 1wgw n HIS 81 N -3.64 0.70 -0.24 3.99 -0.00 -1.16 -3.97 115.22 110.89 1wgw n HIS 81 Ca 0.12 0.30 -0.12 0.00 0.46 0.00 0.00 57.72 58.49 1wgw n HIS 81 Cb 0.88 -0.92 -0.08 0.00 -0.12 0.00 0.00 29.99 29.75 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 -0.79 -0.60 -0.25 1.57 0.00 0.35 0.31 119.26 119.84 1wgw h ALA 82 Ca -0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wgw h ALA 82 Cb 1.10 1.17 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1wgw h ALA 82 CO -0.17 -0.97 0.00 0.28 0.00 0.00 0.00 179.25 178.39 1wgw n VAL 83 N -5.35 0.00 -0.31 0.00 0.31 0.39 -0.26 118.33 113.11 1wgw n VAL 83 Ca -0.00 1.46 0.16 0.00 -0.01 0.00 0.00 64.34 65.94 1wgw n VAL 83 Cb 0.32 -2.01 0.32 0.00 -0.91 0.00 0.00 33.84 31.56 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 0.26 -0.02 3.52 -1.00 -1.48 -0.74 116.94 117.47 1wgw h PHE 84 Ca 0.00 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1wgw h PHE 84 Cb 0.00 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 1wgw h PHE 84 CO -0.75 -0.32 -0.09 -0.22 -1.61 0.00 0.00 178.31 175.32 1wgw h LYS 85 N 0.11 -0.09 -0.89 1.51 3.64 0.28 0.56 116.57 121.68 1wgw h LYS 85 Ca 0.60 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 60.20 1wgw h LYS 85 Cb 1.28 0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 32.96 1wgw h LYS 85 CO -0.76 -0.06 -0.07 0.93 -2.27 0.00 0.00 179.45 177.21 1wgw h GLU 86 N -0.10 0.03 -0.87 1.90 4.39 0.29 1.28 114.58 121.51 1wgw h GLU 86 Ca 0.00 -0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.87 1wgw h GLU 86 Cb 0.11 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.66 1wgw h GLU 86 CO -0.07 0.02 0.44 -0.07 -1.16 0.00 0.00 179.01 178.17 1wgw h LEU 87 N 0.03 0.50 -2.80 1.33 3.38 -0.37 1.38 115.31 118.76 1wgw h LEU 87 Ca 0.48 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.56 1wgw h LEU 87 Cb 0.87 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1wgw h LEU 87 CO -0.85 0.18 0.05 0.58 0.09 0.00 0.00 178.44 178.49 1wgw h VAL 88 N 0.59 0.06 -2.12 1.22 2.07 0.38 -1.97 116.25 116.48 1wgw h VAL 88 Ca 0.49 0.00 -0.69 0.00 0.82 0.00 0.00 66.70 67.31 1wgw h VAL 88 Cb 0.75 0.95 -0.34 0.00 -1.52 0.00 0.00 31.29 31.13 1wgw h VAL 88 CO -0.40 0.00 0.19 0.29 0.02 0.00 0.00 177.57 177.68 1wgw n LYS 89 N -3.15 3.98 -4.23 1.57 4.76 0.47 -4.99 118.16 116.57 1wgw n LYS 89 Ca -0.03 -4.55 -0.15 0.00 -2.87 0.00 0.00 58.31 50.71 1wgw n LYS 89 Cb 0.12 -2.33 -0.11 0.00 -1.84 0.00 0.00 35.03 30.88 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 -4.68 1.18 0.29 -0.18 1.01 -0.74 -4.97 120.40 112.31 1wgw s VAL 90 Ca 0.46 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1wgw s VAL 90 Cb 0.29 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1wgw s VAL 90 CO -0.19 -0.60 0.00 0.29 0.00 0.00 0.00 175.10 174.61 1wgw n LYS 91 N 0.20 -2.54 -3.96 2.72 5.02 -1.26 -4.85 118.16 113.49 1wgw n LYS 91 Ca -0.13 1.67 -0.40 0.00 -2.02 0.00 0.00 58.31 57.44 1wgw n LYS 91 Cb 0.59 -3.10 0.02 0.00 -0.02 0.00 0.00 35.03 32.51 1wgw n LYS 91 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1wgw n VAL 92 N -3.80 -3.25 0.00 -0.18 3.14 -1.26 -4.56 118.33 108.42 1wgw n VAL 92 Ca 0.01 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.91 1wgw n VAL 92 Cb 0.58 -2.69 0.00 0.00 -1.06 0.00 0.00 33.84 30.66 1wgw n VAL 92 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wgw n TYR 93 N -4.34 0.00 -3.61 1.45 4.11 -1.26 -4.84 117.16 108.67 1wgw n TYR 93 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.71 1wgw n TYR 93 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.88 1wgw n TYR 93 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1wgw s SER 94 N -3.62 -0.94 0.16 9.48 1.04 -1.26 -4.77 113.70 113.78 1wgw s SER 94 Ca 0.00 1.37 0.00 0.00 0.48 0.00 0.00 55.95 57.80 1wgw s SER 94 Cb 0.00 1.81 0.00 0.00 0.10 0.00 0.00 66.02 67.93 1wgw s SER 94 CO 0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1wgw n GLY 95 N 4.84 1.16 3.55 7.32 0.00 -1.26 -3.74 105.19 117.06 1wgw n GLY 95 Ca -0.15 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 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 2.95 -0.01 1.61 0.04 -1.26 -4.93 135.00 133.40 1wgw s PRO 96 Ca 0.00 -0.03 -0.08 0.00 0.04 0.00 0.00 61.00 60.93 1wgw s PRO 96 Cb 0.00 -4.50 0.01 0.00 0.04 0.00 0.00 34.50 30.04 1wgw s PRO 96 CO 0.00 -2.52 0.16 -1.54 0.04 0.00 0.00 177.00 173.14 1wgw s SER 97 N 6.03 -0.03 0.00 6.66 1.04 -1.25 -4.92 113.70 121.23 1wgw s SER 97 Ca 0.52 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1wgw s SER 97 Cb -0.09 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1wgw s SER 97 CO 0.12 -0.32 0.00 -0.24 0.98 0.00 0.00 173.24 173.78 1wgw n SER 98 N 1.72 0.00 0.00 7.02 2.88 -1.26 -4.95 113.62 119.04 1wgw n SER 98 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1wgw n SER 98 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1wgw n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42