#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggw n THR 3 N 0.00 -0.96 -3.29 0.44 -1.04 -1.26 -2.23 114.28 105.94 1ggw n THR 3 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 1ggw n THR 3 Cb 0.00 -2.78 0.05 0.00 -1.82 0.00 0.00 70.33 65.79 1ggw n THR 3 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ggw n ASP 4 N -1.64 -6.22 -3.77 8.00 8.00 -1.26 -4.95 116.55 114.71 1ggw n ASP 4 Ca -0.22 -0.41 -0.28 0.00 0.71 0.00 0.00 54.79 54.60 1ggw n ASP 4 Cb 0.67 -4.97 -0.11 0.00 -0.02 0.00 0.00 41.12 36.69 1ggw n ASP 4 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ggw n ASP 5 N -2.74 3.27 -0.05 -2.24 8.00 -0.95 -4.93 116.55 116.92 1ggw n ASP 5 Ca -0.06 -3.28 -0.12 0.00 0.71 0.00 0.00 54.79 52.04 1ggw n ASP 5 Cb 0.59 -0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 40.89 1ggw n ASP 5 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1ggw h SER 6 N 5.04 0.27 -0.22 -2.24 0.87 -1.92 0.20 113.55 115.55 1ggw h SER 6 Ca 0.16 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1ggw h SER 6 Cb 0.72 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1ggw h SER 6 CO 0.76 0.57 0.00 -0.81 -0.53 0.00 0.00 176.83 176.82 1ggw n PRO 7 N -4.72 1.59 0.02 2.24 -0.04 -1.26 -0.17 135.00 132.67 1ggw n PRO 7 Ca -0.06 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 1ggw n PRO 7 Cb 0.25 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1ggw n PRO 7 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ggw n TYR 8 N 0.20 -0.25 0.12 0.54 4.01 -1.21 -4.70 117.16 115.87 1ggw n TYR 8 Ca 0.11 0.04 -0.08 0.00 -0.16 0.00 0.00 57.90 57.82 1ggw n TYR 8 Cb 0.24 0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 39.46 1ggw n TYR 8 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ggw h LYS 9 N 0.00 -0.38 -0.15 -0.72 3.64 -1.50 -1.56 116.57 115.91 1ggw h LYS 9 Ca 0.00 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ggw h LYS 9 Cb 0.00 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1ggw h LYS 9 CO 0.00 -0.15 0.09 1.96 -2.27 0.00 0.00 179.45 179.08 1ggw h GLN 10 N -1.05 0.20 -0.74 1.90 4.20 -0.77 -2.50 115.11 116.35 1ggw h GLN 10 Ca -0.04 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.69 1ggw h GLN 10 Cb 0.40 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 1ggw h GLN 10 CO 0.07 0.16 0.46 0.00 -0.67 0.00 0.00 178.83 178.84 1ggw h ALA 11 N 1.02 0.97 -0.70 3.87 0.00 -0.69 -1.95 119.26 121.79 1ggw h ALA 11 Ca 0.05 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1ggw h ALA 11 Cb 0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 1ggw h ALA 11 CO -0.01 0.22 0.35 0.35 0.00 0.00 0.00 179.25 180.16 1ggw h PHE 12 N 0.87 0.62 -0.44 0.00 3.04 -0.99 -0.96 116.94 119.09 1ggw h PHE 12 Ca 0.30 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.25 1ggw h PHE 12 Cb 0.06 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 1ggw h PHE 12 CO -0.04 0.23 0.14 1.03 -2.02 0.00 0.00 178.31 177.65 1ggw h SER 13 N 0.60 0.59 -0.26 0.41 0.87 -0.94 -2.58 113.55 112.23 1ggw h SER 13 Ca 0.34 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1ggw h SER 13 Cb 0.35 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1ggw h SER 13 CO -0.26 0.56 0.06 -0.07 -0.53 0.00 0.00 176.83 176.59 1ggw h LEU 14 N 0.63 0.47 -3.52 2.23 3.38 -0.66 -2.65 115.31 115.19 1ggw h LEU 14 Ca 0.15 -0.07 -0.41 0.00 0.09 0.00 0.00 57.88 57.64 1ggw h LEU 14 Cb 0.18 -0.12 -0.21 0.00 0.09 0.00 0.00 40.66 40.60 1ggw h LEU 14 CO -0.01 0.50 0.53 0.49 0.09 0.00 0.00 178.44 180.04 1ggw n PHE 15 N -4.33 2.19 -2.51 1.13 3.01 -0.97 -4.94 117.46 111.05 1ggw n PHE 15 Ca 0.02 -1.86 -0.43 0.00 1.01 0.00 0.00 57.45 56.19 1ggw n PHE 15 Cb 0.20 -0.92 -0.02 0.00 -0.01 0.00 0.00 39.48 38.72 1ggw n PHE 15 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1ggw s ASP 16 N -0.63 6.85 -0.04 4.37 -4.77 -1.00 -4.84 116.67 116.62 1ggw s ASP 16 Ca 0.42 1.30 -0.26 0.00 -3.30 0.00 0.00 52.55 50.71 1ggw s ASP 16 Cb 0.34 -2.54 -0.21 0.00 -1.09 0.00 0.00 42.92 39.42 1ggw s ASP 16 CO 0.04 -0.91 1.19 -0.09 0.70 0.00 0.00 175.17 176.10 1ggw h ARG 17 N 8.51 -0.00 0.00 2.11 9.65 -1.92 -3.39 114.38 129.33 1ggw h ARG 17 Ca -0.24 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.32 1ggw h ARG 17 Cb 1.08 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.61 1ggw h ARG 17 CO 1.01 0.56 -2.22 0.72 2.80 0.00 0.00 179.97 182.85 1ggw n HIS 18 N -4.82 0.00 -0.04 2.20 8.25 -1.26 -5.05 115.22 114.50 1ggw n HIS 18 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1ggw n HIS 18 Cb 0.28 -0.83 0.00 0.00 1.12 0.00 0.00 29.99 30.57 1ggw n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ggw n GLY 19 N 2.41 1.28 0.02 -1.41 0.00 -1.26 -5.02 105.19 101.20 1ggw n GLY 19 Ca -0.37 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.66 1ggw n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ggw n THR 20 N -0.33 0.00 0.00 2.61 -2.24 -1.26 -5.00 114.28 108.06 1ggw n THR 20 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1ggw n THR 20 Cb 0.01 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1ggw n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggw n GLY 21 N 0.96 1.29 3.32 3.38 0.00 -1.26 -5.13 105.19 107.76 1ggw n GLY 21 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1ggw n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ggw s ARG 22 N -0.21 1.30 -0.09 1.61 3.00 -1.26 -3.78 118.95 119.51 1ggw s ARG 22 Ca 0.00 -1.63 -0.07 0.00 0.00 0.00 0.00 55.73 54.02 1ggw s ARG 22 Cb 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 34.95 34.29 1ggw s ARG 22 CO 0.00 -0.04 0.24 0.96 0.00 0.00 0.00 175.30 176.46 1ggw s ILE 23 N -3.34 -0.01 0.73 1.52 -4.36 -1.00 -4.25 121.20 110.48 1ggw s ILE 23 Ca 0.26 0.04 -0.07 0.00 -0.26 0.00 0.00 60.65 60.62 1ggw s ILE 23 Cb 0.05 -0.34 0.08 0.00 1.25 0.00 0.00 42.46 43.49 1ggw s ILE 23 CO 0.07 0.02 1.04 -2.16 0.24 0.00 0.00 174.94 174.15 1ggw s PRO 24 N 0.44 2.00 0.36 0.37 0.04 -1.26 -2.27 135.00 134.68 1ggw s PRO 24 Ca -0.03 -0.36 0.17 0.00 0.04 0.00 0.00 61.00 60.83 1ggw s PRO 24 Cb -0.04 -2.16 1.15 0.00 0.04 0.00 0.00 34.50 33.50 1ggw s PRO 24 CO -0.02 -1.36 1.66 1.57 0.04 0.00 0.00 177.00 178.88 1ggw h LYS 25 N -0.68 0.26 -0.63 4.56 2.10 -1.93 0.23 116.57 120.48 1ggw h LYS 25 Ca -0.44 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.20 1ggw h LYS 25 Cb 1.30 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1ggw h LYS 25 CO 0.56 0.17 0.41 1.79 -2.00 0.00 0.00 179.45 180.39 1ggw h THR 26 N 0.27 1.16 -0.14 0.07 1.35 -1.96 -1.80 112.91 111.87 1ggw h THR 26 Ca 0.75 -0.30 -0.06 0.00 -0.55 0.00 0.00 66.41 66.25 1ggw h THR 26 Cb 1.82 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1ggw h THR 26 CO -0.58 0.16 -0.14 0.28 -0.25 0.00 0.00 175.52 174.99 1ggw h SER 27 N 0.85 0.36 -0.49 5.36 0.02 -0.91 -3.17 113.55 115.57 1ggw h SER 27 Ca 0.23 -0.48 0.05 0.00 -0.84 0.00 0.00 61.79 60.75 1ggw h SER 27 Cb -0.09 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1ggw h SER 27 CO -0.05 0.77 0.33 0.40 -1.14 0.00 0.00 176.83 177.14 1ggw h ILE 28 N -0.05 0.99 0.00 3.27 1.08 -1.20 -1.39 117.51 120.22 1ggw h ILE 28 Ca 0.02 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1ggw h ILE 28 Cb 0.67 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1ggw h ILE 28 CO 0.03 0.08 0.00 0.61 -0.69 0.00 0.00 178.15 178.19 1ggw n GLY 29 N -1.50 -2.83 0.30 5.37 0.00 -0.69 -1.01 105.19 104.83 1ggw n GLY 29 Ca 0.06 0.22 0.18 0.00 0.00 0.00 0.00 46.02 46.48 1ggw n GLY 29 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ggw h ASP 30 N 0.00 0.00 -0.04 1.61 2.03 -1.66 -2.83 116.42 115.54 1ggw h ASP 30 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1ggw h ASP 30 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ggw h ASP 30 CO 0.00 0.03 0.00 0.25 -1.03 0.00 0.00 179.24 178.49 1ggw h LEU 31 N 0.00 0.06 -2.11 0.15 5.85 -1.01 -2.81 115.31 115.44 1ggw h LEU 31 Ca -0.00 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1ggw h LEU 31 Cb 0.26 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ggw h LEU 31 CO 0.00 0.34 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.31 1ggw h LEU 32 N -0.21 0.00 -1.33 2.25 3.38 -0.81 -2.23 115.31 116.36 1ggw h LEU 32 Ca 0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1ggw h LEU 32 Cb 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1ggw h LEU 32 CO 0.00 0.06 0.52 -0.09 0.09 0.00 0.00 178.44 179.02 1ggw h ARG 33 N 0.00 0.75 0.00 1.13 9.65 -1.05 -0.51 114.38 124.36 1ggw h ARG 33 Ca -0.00 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.78 1ggw h ARG 33 Cb 0.13 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1ggw h ARG 33 CO 0.01 0.50 -0.24 0.00 2.80 0.00 0.00 179.97 183.03 1ggw h ALA 34 N 1.59 1.53 -0.58 2.80 0.00 -1.45 -2.67 119.26 120.48 1ggw h ALA 34 Ca 0.36 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 54.73 1ggw h ALA 34 Cb 0.36 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 17.93 1ggw h ALA 34 CO -0.13 0.31 0.12 0.00 0.00 0.00 0.00 179.25 179.55 1ggw n GLY 36 N -1.10 -0.29 3.48 0.00 0.00 -0.85 -4.60 105.19 101.83 1ggw n GLY 36 Ca 0.43 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.27 1ggw n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ggw s GLN 37 N 0.00 1.94 -0.24 1.61 -0.21 -1.23 -4.76 119.66 116.78 1ggw s GLN 37 Ca 0.00 -2.19 0.02 0.00 0.02 0.00 0.00 55.36 53.21 1ggw s GLN 37 Cb 0.00 -0.39 0.05 0.00 1.00 0.00 0.00 33.01 33.67 1ggw s GLN 37 CO 0.00 -0.56 -0.13 1.21 -2.12 0.00 0.00 175.29 173.70 1ggw s ASN 38 N -3.58 4.09 0.26 5.90 3.04 -1.26 -1.70 114.94 121.69 1ggw s ASN 38 Ca 0.26 -1.14 0.00 0.00 0.04 0.00 0.00 52.86 52.01 1ggw s ASN 38 Cb 0.02 -1.55 0.00 0.00 -1.54 0.00 0.00 41.25 38.18 1ggw s ASN 38 CO 0.18 -0.14 0.00 -0.81 -3.04 0.00 0.00 177.10 173.29 1ggw n PRO 39 N 4.51 0.83 -3.47 0.43 -0.04 -1.26 -5.04 135.00 130.96 1ggw n PRO 39 Ca -0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 1ggw n PRO 39 Cb 0.45 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1ggw n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ggw s THR 40 N -0.16 4.32 0.42 0.52 -4.23 -1.26 -4.98 115.64 110.28 1ggw s THR 40 Ca 0.00 -0.88 0.13 0.00 -1.18 0.00 0.00 61.69 59.75 1ggw s THR 40 Cb 0.00 -3.52 0.32 0.00 1.34 0.00 0.00 72.50 70.64 1ggw s THR 40 CO 0.00 -0.24 1.97 -0.07 -0.54 0.00 0.00 174.62 175.74 1ggw h LEU 41 N 0.85 0.42 -1.34 4.79 -0.00 -1.99 -0.21 115.31 117.83 1ggw h LEU 41 Ca -0.47 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.47 1ggw h LEU 41 Cb 1.25 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.79 1ggw h LEU 41 CO 0.55 0.25 0.49 0.00 -0.00 0.00 0.00 178.44 179.73 1ggw h ALA 42 N 1.68 1.64 0.51 1.53 0.00 -1.98 -0.12 119.26 122.52 1ggw h ALA 42 Ca 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1ggw h ALA 42 Cb 0.52 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ggw h ALA 42 CO -0.09 0.27 -0.25 0.93 0.00 0.00 0.00 179.25 180.11 1ggw h GLU 43 N 0.83 -0.67 -0.52 0.00 4.39 -1.42 -0.22 114.58 116.97 1ggw h GLU 43 Ca 0.31 0.05 0.09 0.00 0.34 0.00 0.00 59.36 60.14 1ggw h GLU 43 Cb 0.17 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 1ggw h GLU 43 CO -0.10 -0.39 0.13 -0.84 -1.16 0.00 0.00 179.01 176.65 1ggw h ILE 44 N -1.11 0.73 -0.51 3.13 -2.65 -1.36 0.46 117.51 116.20 1ggw h ILE 44 Ca -0.07 -0.09 -0.01 0.00 1.03 0.00 0.00 64.86 65.71 1ggw h ILE 44 Cb 0.59 0.43 -0.02 0.00 -2.05 0.00 0.00 36.82 35.77 1ggw h ILE 44 CO 0.12 0.05 0.27 0.74 0.03 0.00 0.00 178.15 179.36 1ggw h THR 45 N 0.27 1.18 -0.89 0.16 2.02 -1.09 -1.32 112.91 113.25 1ggw h THR 45 Ca 0.26 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 67.02 1ggw h THR 45 Cb 0.34 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 1ggw h THR 45 CO -0.32 0.20 0.56 -0.08 0.37 0.00 0.00 175.52 176.25 1ggw h GLU 46 N 0.68 1.01 -0.15 6.66 4.57 -0.01 -1.60 114.58 125.74 1ggw h GLU 46 Ca 0.18 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1ggw h GLU 46 Cb 0.07 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1ggw h GLU 46 CO -0.03 0.67 0.05 0.82 -1.18 0.00 0.00 179.01 179.34 1ggw h ILE 47 N 1.04 1.17 -0.12 2.32 2.04 -0.52 -2.45 117.51 120.99 1ggw h ILE 47 Ca 0.38 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1ggw h ILE 47 Cb 0.14 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1ggw h ILE 47 CO -0.16 0.16 0.16 -0.33 0.00 0.00 0.00 178.15 177.97 1ggw h GLU 48 N 0.08 0.00 0.00 2.37 5.08 -0.58 -1.61 114.58 119.91 1ggw h GLU 48 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1ggw h GLU 48 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ggw h GLU 48 CO -0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 1ggw n SER 49 N -3.67 0.03 -0.01 1.42 3.41 -0.66 -2.89 113.62 111.25 1ggw n SER 49 Ca 0.00 0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 59.11 1ggw n SER 49 Cb 0.26 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.68 1ggw n SER 49 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ggw n THR 50 N -1.54 0.16 -3.74 6.66 -2.24 -0.62 -5.04 114.28 107.92 1ggw n THR 50 Ca 0.01 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 1ggw n THR 50 Cb 0.07 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 67.38 1ggw n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ggw s LEU 51 N -4.35 4.26 0.37 3.22 1.43 -1.14 -5.05 118.68 117.43 1ggw s LEU 51 Ca -0.02 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.29 1ggw s LEU 51 Cb 0.01 -3.16 -0.15 0.00 0.03 0.00 0.00 46.19 42.92 1ggw s LEU 51 CO 0.09 0.02 0.10 -2.65 0.23 0.00 0.00 176.35 174.13 1ggw n PRO 52 N -0.33 0.00 -0.21 1.29 -0.02 -1.26 -4.74 135.00 129.73 1ggw n PRO 52 Ca -0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.42 1ggw n PRO 52 Cb 0.53 -0.94 0.01 0.00 -0.02 0.00 0.00 33.50 33.09 1ggw n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ggw n ALA 53 N -0.92 -0.10 -2.72 3.55 0.00 -1.26 -4.01 120.51 115.05 1ggw n ALA 53 Ca 0.11 0.53 -0.36 0.00 0.00 0.00 0.00 53.44 53.72 1ggw n ALA 53 Cb 0.37 -0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 1ggw n ALA 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ggw s GLU 54 N -5.48 4.23 -1.06 0.00 2.02 -1.26 -4.95 118.70 112.19 1ggw s GLU 54 Ca -0.07 -0.02 -0.18 0.00 0.02 0.00 0.00 54.97 54.72 1ggw s GLU 54 Cb 0.10 -3.43 0.12 0.00 0.10 0.00 0.00 34.13 31.02 1ggw s GLU 54 CO 0.38 0.24 1.33 0.08 0.02 0.00 0.00 175.26 177.31 1ggw s VAL 55 N 0.50 4.63 0.92 2.63 1.01 -0.96 -4.84 120.40 124.31 1ggw s VAL 55 Ca 0.13 -1.80 -0.13 0.00 0.00 0.00 0.00 61.98 60.18 1ggw s VAL 55 Cb -0.12 -4.90 0.21 0.00 0.00 0.00 0.00 36.38 31.56 1ggw s VAL 55 CO 0.02 -1.66 1.26 -0.90 0.00 0.00 0.00 175.10 173.82 1ggw n ASP 56 N 6.82 0.41 -0.33 3.32 5.68 -1.26 -2.37 116.55 128.82 1ggw n ASP 56 Ca 0.32 -1.65 0.11 0.00 -0.50 0.00 0.00 54.79 53.06 1ggw n ASP 56 Cb 0.47 -0.93 0.23 0.00 -1.14 0.00 0.00 41.12 39.75 1ggw n ASP 56 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1ggw h MET 57 N 0.00 0.02 0.12 0.11 2.86 -1.95 0.16 114.93 116.26 1ggw h MET 57 Ca -0.41 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1ggw h MET 57 Cb 1.20 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1ggw h MET 57 CO 0.32 0.02 -0.06 1.49 1.06 0.00 0.00 176.91 179.74 1ggw h GLU 58 N 0.02 -0.15 0.04 1.72 4.81 -1.93 -1.42 114.58 117.67 1ggw h GLU 58 Ca 0.54 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.79 1ggw h GLU 58 Cb 1.02 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1ggw h GLU 58 CO -0.90 0.15 -0.10 1.96 -0.73 0.00 0.00 179.01 179.39 1ggw h GLN 59 N -0.46 -0.19 -0.01 1.92 7.50 -1.45 0.23 115.11 122.65 1ggw h GLN 59 Ca -0.02 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ggw h GLN 59 Cb 0.37 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.95 1ggw h GLN 59 CO 0.03 -0.13 0.01 0.35 -1.50 0.00 0.00 178.83 177.58 1ggw h PHE 60 N -0.20 0.01 -0.48 2.96 3.57 -0.82 -2.35 116.94 119.64 1ggw h PHE 60 Ca 0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ggw h PHE 60 Cb 0.22 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1ggw h PHE 60 CO -0.14 0.04 0.22 -0.07 -2.23 0.00 0.00 178.31 176.13 1ggw h LEU 61 N -0.02 0.60 0.28 0.59 3.38 -1.15 -1.39 115.31 117.59 1ggw h LEU 61 Ca 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ggw h LEU 61 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1ggw h LEU 61 CO -0.00 0.52 -0.21 -0.61 0.09 0.00 0.00 178.44 178.23 1ggw h GLN 62 N 0.67 -0.48 -0.06 1.13 4.15 -0.13 -2.55 115.11 117.85 1ggw h GLN 62 Ca 0.17 0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 1ggw h GLN 62 Cb 0.09 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1ggw h GLN 62 CO -0.02 -0.32 -0.34 -0.39 -1.93 0.00 0.00 178.83 175.83 1ggw h VAL 63 N -0.50 1.27 -0.80 2.39 -1.51 -1.27 -2.84 116.25 113.00 1ggw h VAL 63 Ca -0.02 -1.27 0.12 0.00 -1.23 0.00 0.00 66.70 64.31 1ggw h VAL 63 Cb 0.43 1.61 -0.06 0.00 -2.13 0.00 0.00 31.29 31.14 1ggw h VAL 63 CO -0.01 0.37 0.52 0.25 -1.23 0.00 0.00 177.57 177.48 1ggw h LEU 64 N 0.10 0.56 -4.75 4.19 5.85 -0.85 -2.34 115.31 118.08 1ggw h LEU 64 Ca 0.01 0.02 -0.53 0.00 0.84 0.00 0.00 57.88 58.23 1ggw h LEU 64 Cb 0.66 -0.09 -0.15 0.00 0.37 0.00 0.00 40.66 41.45 1ggw h LEU 64 CO 0.05 0.31 0.89 0.59 -0.34 0.00 0.00 178.44 179.94 1ggw n ASN 65 N -4.51 6.78 0.03 1.25 5.03 -1.06 -4.68 115.26 118.10 1ggw n ASN 65 Ca 0.15 -3.09 -0.12 0.00 0.87 0.00 0.00 54.58 52.39 1ggw n ASN 65 Cb 0.43 -1.30 -0.07 0.00 -1.02 0.00 0.00 39.78 37.82 1ggw n ASN 65 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1ggw h ARG 66 N 3.44 0.01 -0.95 3.52 2.43 -1.62 -2.75 114.38 118.46 1ggw h ARG 66 Ca 0.46 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.62 1ggw h ARG 66 Cb 0.70 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1ggw h ARG 66 CO 0.97 0.05 0.01 -0.35 -1.51 0.00 0.00 179.97 179.14 1ggw n PRO 67 N -5.07 1.51 -2.98 0.20 -0.04 -1.26 -4.90 135.00 122.46 1ggw n PRO 67 Ca -0.07 -0.45 -0.08 0.00 -0.04 0.00 0.00 63.50 62.86 1ggw n PRO 67 Cb 0.05 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 1ggw n PRO 67 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ggw n ASN 68 N 0.12 -7.69 0.00 3.54 5.15 -1.04 -4.99 115.26 110.35 1ggw n ASN 68 Ca 0.05 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 1ggw n ASN 68 Cb 0.43 -5.06 0.00 0.00 -0.53 0.00 0.00 39.78 34.62 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ggw n GLY 69 N -0.81 2.06 0.12 8.20 0.00 -1.26 -5.01 105.19 108.49 1ggw n GLY 69 Ca 0.06 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 1ggw n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ggw n PHE 70 N -1.42 0.01 -3.29 1.61 3.01 -1.26 -4.53 117.46 111.59 1ggw n PHE 70 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.01 1ggw n PHE 70 Cb 0.00 -1.00 -0.01 0.00 -0.01 0.00 0.00 39.48 38.46 1ggw n PHE 70 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ggw s ASP 71 N -6.20 7.08 0.00 4.37 1.01 -1.26 -4.38 116.67 117.29 1ggw s ASP 71 Ca -0.27 -3.17 0.00 0.00 0.71 0.00 0.00 52.55 49.82 1ggw s ASP 71 Cb 0.08 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.78 1ggw s ASP 71 CO 0.67 -0.46 0.00 0.80 0.21 0.00 0.00 175.17 176.40 1ggw n MET 72 N 3.55 0.00 -0.33 8.23 1.56 -1.26 -5.01 117.12 123.86 1ggw n MET 72 Ca 0.21 0.00 0.21 0.00 -0.27 0.00 0.00 57.70 57.85 1ggw n MET 72 Cb 0.43 0.00 0.40 0.00 2.15 0.00 0.00 33.22 36.20 1ggw n MET 72 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1ggw h PRO 73 N 0.00 0.06 0.00 2.12 0.11 -1.83 -3.43 132.00 129.02 1ggw h PRO 73 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ggw h PRO 73 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1ggw h PRO 73 CO 0.00 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.24 1ggw n GLY 74 N -1.38 0.02 3.91 -0.55 0.00 -1.26 -5.06 105.19 100.87 1ggw n GLY 74 Ca 0.28 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1ggw n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ggw s ASP 75 N 0.00 4.69 0.31 1.61 1.11 -1.26 -4.58 116.67 118.55 1ggw s ASP 75 Ca 0.00 0.67 0.03 0.00 0.18 0.00 0.00 52.55 53.42 1ggw s ASP 75 Cb 0.00 -1.25 0.60 0.00 1.07 0.00 0.00 42.92 43.34 1ggw s ASP 75 CO 0.00 -1.74 1.88 -0.65 1.18 0.00 0.00 175.17 175.84 1ggw h PRO 76 N -0.84 0.92 -0.10 8.23 0.11 -1.94 -0.59 132.00 137.77 1ggw h PRO 76 Ca -0.45 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1ggw h PRO 76 Cb 1.32 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ggw h PRO 76 CO 0.64 0.61 -0.10 1.05 -0.21 0.00 0.00 178.00 179.98 1ggw h GLU 77 N 0.95 0.15 -0.21 1.05 9.09 -1.99 -2.14 114.58 121.48 1ggw h GLU 77 Ca 0.43 -0.03 -0.03 0.00 0.05 0.00 0.00 59.36 59.78 1ggw h GLU 77 Cb 0.38 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 1ggw h GLU 77 CO -0.19 0.27 0.01 1.49 0.05 0.00 0.00 179.01 180.64 1ggw h GLU 78 N 0.15 0.36 -0.73 1.06 4.57 -1.47 -1.59 114.58 116.93 1ggw h GLU 78 Ca 0.03 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1ggw h GLU 78 Cb 0.28 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1ggw h GLU 78 CO 0.02 0.54 0.26 0.27 -1.18 0.00 0.00 179.01 178.92 1ggw h PHE 79 N 0.13 1.14 -0.82 0.92 -5.15 -1.30 -2.58 116.94 109.28 1ggw h PHE 79 Ca 0.06 -0.10 -0.04 0.00 -0.20 0.00 0.00 57.97 57.69 1ggw h PHE 79 Cb 0.37 -0.34 -0.04 0.00 0.22 0.00 0.00 35.95 36.17 1ggw h PHE 79 CO 0.03 0.89 0.35 0.28 -2.00 0.00 0.00 178.31 177.86 1ggw h VAL 80 N 1.06 1.26 -0.53 0.88 2.07 -1.30 -2.32 116.25 117.37 1ggw h VAL 80 Ca 0.24 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1ggw h VAL 80 Cb 0.26 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1ggw h VAL 80 CO -0.01 0.33 0.34 0.50 0.02 0.00 0.00 177.57 178.75 1ggw h LYS 81 N 1.18 0.70 -0.39 1.57 1.63 -0.98 -0.01 116.57 120.26 1ggw h LYS 81 Ca 0.27 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1ggw h LYS 81 Cb 0.19 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 1ggw h LYS 81 CO -0.03 0.47 0.20 0.78 -3.45 0.00 0.00 179.45 177.42 1ggw h GLY 82 N 0.71 0.60 2.00 5.01 0.00 -1.23 -2.49 103.07 107.67 1ggw h GLY 82 Ca 0.19 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1ggw h GLY 82 CO -0.04 0.27 -0.22 0.74 0.00 0.00 0.00 176.54 177.29 1ggw h PHE 83 N 0.49 0.00 -0.35 5.60 -1.00 -1.19 -3.37 116.94 117.13 1ggw h PHE 83 Ca 0.14 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.25 1ggw h PHE 83 Cb 0.10 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 1ggw h PHE 83 CO -0.02 0.22 2.54 0.94 -1.61 0.00 0.00 178.31 180.38 1ggw n GLN 84 N -3.65 2.73 0.08 1.51 7.27 -0.04 -4.29 117.38 120.99 1ggw n GLN 84 Ca -0.01 -2.76 0.00 0.00 0.07 0.00 0.00 57.00 54.30 1ggw n GLN 84 Cb 0.35 -3.36 0.00 0.00 2.41 0.00 0.00 30.24 29.63 1ggw n GLN 84 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ggw n VAL 85 N 5.90 0.71 -2.02 1.69 0.31 -1.26 -4.87 118.33 118.79 1ggw n VAL 85 Ca 0.50 0.24 -0.36 0.00 -0.01 0.00 0.00 64.34 64.71 1ggw n VAL 85 Cb 0.42 -1.14 0.03 0.00 -0.91 0.00 0.00 33.84 32.25 1ggw n VAL 85 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1ggw n PHE 86 N -3.42 3.10 -3.09 3.52 3.01 -1.26 -4.79 117.46 114.53 1ggw n PHE 86 Ca 0.00 -2.57 -0.30 0.00 1.01 0.00 0.00 57.45 55.59 1ggw n PHE 86 Cb 0.00 -0.91 -0.04 0.00 -0.01 0.00 0.00 39.48 38.51 1ggw n PHE 86 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ggw n ASP 87 N -0.56 4.76 -0.05 4.37 9.92 -1.26 -4.86 116.55 128.88 1ggw n ASP 87 Ca 0.51 -3.58 -0.12 0.00 -0.53 0.00 0.00 54.79 51.07 1ggw n ASP 87 Cb 0.39 -0.74 -0.07 0.00 -0.64 0.00 0.00 41.12 40.06 1ggw n ASP 87 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1ggw h LYS 88 N 3.80 0.26 0.00 -1.24 1.79 -2.01 -3.40 116.57 115.77 1ggw h LYS 88 Ca 0.21 -0.10 -0.20 0.00 -2.18 0.00 0.00 60.65 58.38 1ggw h LYS 88 Cb 0.55 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.16 1ggw h LYS 88 CO 0.92 0.56 -1.65 -3.47 -1.08 0.00 0.00 179.45 174.73 1ggw n ASP 89 N -4.71 0.86 -3.30 0.86 2.03 -1.26 -5.08 116.55 105.95 1ggw n ASP 89 Ca -0.06 0.15 -0.09 0.00 0.52 0.00 0.00 54.79 55.31 1ggw n ASP 89 Cb 0.26 -0.36 0.01 0.00 -0.72 0.00 0.00 41.12 40.31 1ggw n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ggw n ALA 90 N -3.55 -2.58 -3.13 -1.67 0.00 -1.26 -4.98 120.51 103.34 1ggw n ALA 90 Ca -0.24 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 52.88 1ggw n ALA 90 Cb 0.66 -1.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 1ggw n ALA 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ggw n THR 91 N -2.25 1.59 0.00 0.00 -1.04 -1.26 -4.85 114.28 106.46 1ggw n THR 91 Ca -0.09 -5.05 0.00 0.00 -2.04 0.00 0.00 64.05 56.86 1ggw n THR 91 Cb 0.56 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ggw n GLY 92 N 0.29 0.66 3.63 3.41 0.00 -1.26 -5.13 105.19 106.79 1ggw n GLY 92 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 1ggw n GLY 92 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ggw s MET 93 N 0.69 0.32 -0.02 1.61 0.23 -1.26 -4.41 119.30 116.47 1ggw s MET 93 Ca 0.00 0.23 -0.00 0.00 -1.03 0.00 0.00 55.69 54.89 1ggw s MET 93 Cb 0.00 0.16 -0.01 0.00 -1.53 0.00 0.00 34.83 33.45 1ggw s MET 93 CO 0.00 -0.07 -0.02 1.51 -2.03 0.00 0.00 175.02 174.41 1ggw n ILE 94 N 1.34 0.09 -2.02 3.16 0.00 -1.26 -4.78 119.36 115.89 1ggw n ILE 94 Ca -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 62.75 62.60 1ggw n ILE 94 Cb 0.57 -0.84 0.00 0.00 0.00 0.00 0.00 39.64 39.38 1ggw n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ggw n GLY 95 N 3.27 -1.26 0.33 4.50 0.00 -1.22 -4.62 105.19 106.19 1ggw n GLY 95 Ca -0.03 0.37 0.22 0.00 0.00 0.00 0.00 46.02 46.59 1ggw n GLY 95 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ggw h VAL 96 N 0.83 0.27 -1.03 1.61 2.07 0.08 0.17 116.25 120.24 1ggw h VAL 96 Ca 0.00 -0.09 0.27 0.00 0.82 0.00 0.00 66.70 67.70 1ggw h VAL 96 Cb 0.34 -0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 29.97 1ggw h VAL 96 CO 0.07 0.05 0.64 1.23 0.02 0.00 0.00 177.57 179.58 1ggw h GLY 97 N 0.27 1.61 0.94 2.17 0.00 -1.87 0.61 103.07 106.80 1ggw h GLY 97 Ca 0.71 -0.25 -0.28 0.00 0.00 0.00 0.00 47.33 47.50 1ggw h GLY 97 CO -0.64 -0.22 -1.29 0.83 0.00 0.00 0.00 176.54 175.21 1ggw h GLU 98 N 0.47 0.41 -0.80 4.80 4.39 -0.97 -2.39 114.58 120.48 1ggw h GLU 98 Ca 0.64 -0.70 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1ggw h GLU 98 Cb 1.43 0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 30.30 1ggw h GLU 98 CO -0.41 1.34 0.50 1.37 -1.16 0.00 0.00 179.01 180.65 1ggw h LEU 99 N -0.08 0.94 -0.36 1.33 8.10 -0.68 -2.29 115.31 122.27 1ggw h LEU 99 Ca -0.24 -0.05 -0.19 0.00 0.11 0.00 0.00 57.88 57.51 1ggw h LEU 99 Cb 1.94 -0.24 -0.00 0.00 -0.44 0.00 0.00 40.66 41.92 1ggw h LEU 99 CO 0.20 0.71 -0.76 0.08 -4.11 0.00 0.00 178.44 174.56 1ggw h ARG 100 N 1.09 0.43 -0.57 0.17 0.11 0.03 -1.88 114.38 113.77 1ggw h ARG 100 Ca 0.29 -0.37 0.06 0.00 0.10 0.00 0.00 59.98 60.06 1ggw h ARG 100 Cb -0.08 0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 1ggw h ARG 100 CO -0.06 1.01 0.38 -0.92 0.10 0.00 0.00 179.97 180.48 1ggw h TYR 101 N 0.29 0.53 0.06 4.08 3.20 -0.97 0.60 116.97 124.76 1ggw h TYR 101 Ca -0.04 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 1ggw h TYR 101 Cb 1.34 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 1ggw h TYR 101 CO 0.05 0.28 -0.67 0.28 -1.64 0.00 0.00 178.16 176.46 1ggw h VAL 102 N 0.53 1.44 -0.30 1.81 2.07 -1.35 -3.32 116.25 117.13 1ggw h VAL 102 Ca 0.25 -2.38 -0.17 0.00 0.82 0.00 0.00 66.70 65.22 1ggw h VAL 102 Cb 0.30 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1ggw h VAL 102 CO -0.07 0.60 -0.49 -0.07 0.02 0.00 0.00 177.57 177.57 1ggw h LEU 103 N -0.72 0.89 -1.79 2.57 3.38 -1.10 -3.15 115.31 115.40 1ggw h LEU 103 Ca -0.15 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 1ggw h LEU 103 Cb 1.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1ggw h LEU 103 CO 0.01 1.22 0.02 0.74 0.09 0.00 0.00 178.44 180.53 1ggw h THR 104 N 0.64 1.06 0.00 0.22 2.02 0.03 -1.18 112.91 115.70 1ggw h THR 104 Ca 0.03 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1ggw h THR 104 Cb 1.07 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1ggw h THR 104 CO 0.11 0.08 0.00 0.28 0.37 0.00 0.00 175.52 176.35 1ggw h SER 105 N 0.15 0.00 0.10 4.18 0.02 -1.65 -2.49 113.55 113.86 1ggw h SER 105 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1ggw h SER 105 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1ggw h SER 105 CO -0.00 0.00 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.57 1ggw h LEU 106 N 0.00 -0.12 -5.03 5.07 3.38 -1.30 -3.45 115.31 113.86 1ggw h LEU 106 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1ggw h LEU 106 Cb 0.44 0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.04 1ggw h LEU 106 CO 0.00 0.06 -0.47 0.61 0.09 0.00 0.00 178.44 178.74 1ggw n GLY 107 N 1.10 1.27 3.46 0.83 0.00 -1.24 -5.00 105.19 105.61 1ggw n GLY 107 Ca -0.02 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 1ggw n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ggw n GLU 108 N -0.35 -4.60 0.00 1.61 4.71 -0.94 -5.02 120.64 116.06 1ggw n GLU 108 Ca 0.01 0.77 0.00 0.00 -0.01 0.00 0.00 57.16 57.93 1ggw n GLU 108 Cb 0.81 -5.57 0.00 0.00 -1.01 0.00 0.00 31.44 25.67 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ggw n LYS 109 N -3.91 2.61 -1.77 3.49 3.00 -1.25 -4.61 118.16 115.72 1ggw n LYS 109 Ca -0.22 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.78 1ggw n LYS 109 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.62 1ggw n LYS 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ggw n LEU 110 N 0.00 3.12 0.00 3.14 4.77 -1.26 -4.87 117.00 121.90 1ggw n LEU 110 Ca 0.00 -3.01 -0.10 0.00 -0.03 0.00 0.00 56.01 52.87 1ggw n LEU 110 Cb 0.00 -1.56 0.09 0.00 -2.33 0.00 0.00 43.42 39.62 1ggw n LEU 110 CO 0.00 -1.62 0.18 -1.54 -1.33 0.00 0.00 177.39 173.08 1ggw n SER 111 N 13.01 -1.75 -0.31 -1.43 3.41 -1.26 -4.34 113.62 120.95 1ggw n SER 111 Ca 0.46 -0.61 0.12 0.00 -0.26 0.00 0.00 58.87 58.58 1ggw n SER 111 Cb 0.45 -0.34 0.30 0.00 -0.26 0.00 0.00 64.21 64.36 1ggw n SER 111 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ggw h ASN 112 N -1.86 0.39 0.22 4.04 -0.73 -1.98 -0.90 115.58 114.77 1ggw h ASN 112 Ca -0.14 0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1ggw h ASN 112 Cb 0.43 0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.13 1ggw h ASN 112 CO 0.09 0.05 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.01 1ggw h GLU 113 N 0.46 -0.28 0.04 6.67 4.81 -1.97 0.45 114.58 124.76 1ggw h GLU 113 Ca 0.55 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.81 1ggw h GLU 113 Cb 0.99 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1ggw h GLU 113 CO -0.49 -0.14 -0.10 0.93 -0.73 0.00 0.00 179.01 178.47 1ggw h GLU 114 N -0.35 -0.19 0.00 1.92 3.07 -1.63 -2.08 114.58 115.31 1ggw h GLU 114 Ca -0.03 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 1ggw h GLU 114 Cb 0.27 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1ggw h GLU 114 CO 0.05 -0.13 -0.26 0.00 -1.40 0.00 0.00 179.01 177.27 1ggw h MET 115 N -0.20 0.00 -0.15 2.33 -0.00 -1.17 -2.70 114.93 113.05 1ggw h MET 115 Ca 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.74 1ggw h MET 115 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.80 1ggw h MET 115 CO -0.07 0.26 0.04 -0.44 -0.00 0.00 0.00 176.91 176.70 1ggw h ASP 116 N 0.00 0.03 -0.48 -0.10 5.19 0.60 0.47 116.42 122.14 1ggw h ASP 116 Ca -0.00 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 1ggw h ASP 116 Cb 0.54 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1ggw h ASP 116 CO 0.03 0.04 -0.00 -0.33 -3.12 0.00 0.00 179.24 175.86 1ggw h GLU 117 N 0.11 0.84 -0.67 3.56 4.39 -1.35 -1.52 114.58 119.94 1ggw h GLU 117 Ca 0.06 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 1ggw h GLU 117 Cb 0.05 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1ggw h GLU 117 CO -0.07 0.89 0.29 1.37 -1.16 0.00 0.00 179.01 180.32 1ggw h LEU 118 N 0.70 0.90 -0.88 1.33 8.10 -1.16 -2.49 115.31 121.81 1ggw h LEU 118 Ca 0.13 -0.16 -0.10 0.00 0.11 0.00 0.00 57.88 57.87 1ggw h LEU 118 Cb 0.51 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.49 1ggw h LEU 118 CO 0.03 0.81 -0.22 -0.07 -4.11 0.00 0.00 178.44 174.87 1ggw h LEU 119 N 0.93 0.58 -0.92 0.17 3.38 0.07 -1.95 115.31 117.56 1ggw h LEU 119 Ca 0.22 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1ggw h LEU 119 Cb 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1ggw h LEU 119 CO -0.02 0.80 0.19 0.11 0.09 0.00 0.00 178.44 179.61 1ggw h LYS 120 N 0.51 0.98 -0.03 1.13 1.79 -0.95 -3.05 116.57 116.95 1ggw h LYS 120 Ca 0.08 -0.20 -0.25 0.00 -2.18 0.00 0.00 60.65 58.10 1ggw h LYS 120 Cb 0.66 -0.15 0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1ggw h LYS 120 CO 0.05 0.85 -0.97 0.78 -1.08 0.00 0.00 179.45 179.07 1ggw h GLY 121 N 1.04 0.74 -4.72 3.86 0.00 -1.25 -3.44 103.07 99.30 1ggw h GLY 121 Ca 0.21 -1.24 -0.55 0.00 0.00 0.00 0.00 47.33 45.75 1ggw h GLY 121 CO -0.01 1.10 0.13 0.14 0.00 0.00 0.00 176.54 177.90 1ggw s VAL 122 N -3.39 4.85 -1.19 4.60 1.01 -0.75 -4.97 120.40 120.55 1ggw s VAL 122 Ca -0.09 1.56 -0.08 0.00 0.00 0.00 0.00 61.98 63.36 1ggw s VAL 122 Cb 0.08 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 1ggw s VAL 122 CO 0.91 0.33 2.89 -0.81 0.00 0.00 0.00 175.10 178.41 1ggw n PRO 123 N 3.12 3.06 -4.45 2.72 -0.04 -1.26 -4.80 135.00 133.34 1ggw n PRO 123 Ca -0.02 -1.82 -0.23 0.00 -0.04 0.00 0.00 63.50 61.39 1ggw n PRO 123 Cb 0.51 -2.58 -0.09 0.00 -0.04 0.00 0.00 33.50 31.30 1ggw n PRO 123 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ggw s VAL 124 N 2.20 0.57 -0.11 0.52 -7.23 -1.26 -5.07 120.40 110.01 1ggw s VAL 124 Ca 0.63 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.97 1ggw s VAL 124 Cb 0.19 -2.44 0.26 0.00 0.56 0.00 0.00 36.38 34.94 1ggw s VAL 124 CO -0.04 0.00 1.13 0.29 -0.31 0.00 0.00 175.10 176.17 1ggw n LYS 125 N -0.80 1.35 -0.59 4.82 5.02 -1.26 -4.73 118.16 121.97 1ggw n LYS 125 Ca -0.03 -2.43 -0.02 0.00 -2.02 0.00 0.00 58.31 53.81 1ggw n LYS 125 Cb 0.65 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 34.22 1ggw n LYS 125 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1ggw n ASP 126 N -1.31 -0.35 -3.64 4.39 5.75 -1.26 -5.02 116.55 115.11 1ggw n ASP 126 Ca 0.14 -0.94 -0.22 0.00 -0.01 0.00 0.00 54.79 53.76 1ggw n ASP 126 Cb 0.61 0.10 0.06 0.00 -1.03 0.00 0.00 41.12 40.87 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggw n GLY 127 N 0.00 -0.40 3.46 6.12 0.00 -1.26 -1.19 105.19 111.91 1ggw n GLY 127 Ca -0.10 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1ggw n GLY 127 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 128 N -6.00 3.37 0.00 1.61 0.00 -1.26 -1.40 119.30 115.62 1ggw s MET 128 Ca 0.25 -0.70 0.07 0.00 0.00 0.00 0.00 55.69 55.31 1ggw s MET 128 Cb -0.12 -3.61 0.11 0.00 0.00 0.00 0.00 34.83 31.21 1ggw s MET 128 CO 0.77 -0.42 1.02 0.28 0.00 0.00 0.00 175.02 176.68 1ggw n VAL 129 N 5.00 0.00 -1.91 10.11 0.31 -1.26 -4.88 118.33 125.70 1ggw n VAL 129 Ca -0.14 -0.26 -0.19 0.00 -0.01 0.00 0.00 64.34 63.74 1ggw n VAL 129 Cb 0.49 0.61 -0.05 0.00 -0.91 0.00 0.00 33.84 33.98 1ggw n VAL 129 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ggw n ASN 130 N 0.13 -5.32 -0.55 4.52 2.85 -1.26 -4.54 115.26 111.08 1ggw n ASN 130 Ca 0.01 0.29 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 1ggw n ASN 130 Cb 0.81 -4.61 0.00 0.00 1.24 0.00 0.00 39.78 37.22 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ggw n TYR 131 N -2.96 -1.49 0.00 1.20 9.36 -1.26 -4.76 117.16 117.25 1ggw n TYR 131 Ca -0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.01 1ggw n TYR 131 Cb 0.65 0.22 0.00 0.00 -0.63 0.00 0.00 39.34 39.58 1ggw n TYR 131 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1ggw n HIS 132 N -1.11 0.00 -0.36 2.98 -0.00 -1.26 -4.42 115.22 111.05 1ggw n HIS 132 Ca 0.00 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.28 1ggw n HIS 132 Cb 0.00 0.00 0.28 0.00 -0.12 0.00 0.00 29.99 30.15 1ggw n HIS 132 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1ggw h ASP 133 N 0.00 0.86 0.15 0.26 3.58 -1.86 0.64 116.42 120.05 1ggw h ASP 133 Ca 0.00 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1ggw h ASP 133 Cb 0.00 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1ggw h ASP 133 CO 0.00 0.38 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.41 1ggw h PHE 134 N 0.88 -0.18 -0.14 0.28 0.04 -1.92 -2.78 116.94 113.12 1ggw h PHE 134 Ca 0.54 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.28 1ggw h PHE 134 Cb 0.70 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 1ggw h PHE 134 CO -0.00 0.19 -0.03 0.28 -0.60 0.00 0.00 178.31 178.14 1ggw h VAL 135 N -0.60 1.12 0.33 -0.55 2.07 -1.76 -0.97 116.25 115.90 1ggw h VAL 135 Ca -0.02 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1ggw h VAL 135 Cb 0.45 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1ggw h VAL 135 CO 0.03 0.15 -0.16 -0.61 0.02 0.00 0.00 177.57 177.01 1ggw h GLN 136 N 0.20 -0.43 0.00 1.57 4.15 0.33 -1.40 115.11 119.53 1ggw h GLN 136 Ca 0.05 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 1ggw h GLN 136 Cb 0.20 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1ggw h GLN 136 CO 0.01 -0.27 -0.32 1.98 -1.93 0.00 0.00 178.83 178.30 1ggw h MET 137 N -0.48 0.00 -0.04 1.69 4.05 -1.29 -1.56 114.93 117.31 1ggw h MET 137 Ca -0.05 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1ggw h MET 137 Cb 0.36 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1ggw h MET 137 CO 0.08 0.32 0.01 0.82 0.23 0.00 0.00 176.91 178.36 1ggw h ILE 138 N 0.00 1.16 0.00 1.77 1.08 -0.78 -3.39 117.51 117.35 1ggw h ILE 138 Ca -0.00 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1ggw h ILE 138 Cb 0.70 1.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1ggw h ILE 138 CO 0.04 0.13 0.00 0.18 -0.69 0.00 0.00 178.15 177.81 1ggw n LEU 139 N -4.96 1.09 -1.80 1.44 4.77 -0.56 -5.09 117.00 111.88 1ggw n LEU 139 Ca -0.07 0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1ggw n LEU 139 Cb 0.12 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1ggw n LEU 139 CO 0.34 -0.26 -0.29 0.00 -1.33 0.00 0.00 177.39 175.85 1ggw n ALA 140 N -1.46 -2.63 -0.72 -1.18 0.00 -0.59 -5.10 120.51 108.83 1ggw n ALA 140 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1ggw n ALA 140 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59