#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 -1.27 -0.03 0.44 -1.04 -1.26 -4.85 114.28 106.28 1ggw n THR 3 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1ggw n THR 3 Cb 0.00 -2.75 -0.03 0.00 -1.82 0.00 0.00 70.33 65.73 1ggw n THR 3 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ggw n ASP 4 N -2.19 3.07 -4.21 8.00 5.75 -1.26 -4.93 116.55 120.79 1ggw n ASP 4 Ca -0.15 -0.01 -0.41 0.00 -0.01 0.00 0.00 54.79 54.21 1ggw n ASP 4 Cb 0.63 -0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 40.53 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1ggw s ASP 5 N -4.71 5.72 0.04 -1.12 1.01 -1.26 -4.96 116.67 111.40 1ggw s ASP 5 Ca -0.08 -1.98 -0.22 0.00 0.71 0.00 0.00 52.55 50.99 1ggw s ASP 5 Cb 0.02 -2.01 -0.14 0.00 1.01 0.00 0.00 42.92 41.80 1ggw s ASP 5 CO 0.13 -0.68 1.43 -1.28 0.21 0.00 0.00 175.17 174.98 1ggw h SER 6 N 8.38 0.25 1.28 0.27 0.87 -1.95 0.28 113.55 122.93 1ggw h SER 6 Ca -0.19 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1ggw h SER 6 Cb 1.07 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1ggw h SER 6 CO 0.85 0.55 -0.05 -0.81 -0.53 0.00 0.00 176.83 176.85 1ggw n PRO 7 N -4.73 0.18 -0.02 2.24 -0.04 -1.26 -0.49 135.00 130.89 1ggw n PRO 7 Ca -0.06 0.14 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 1ggw n PRO 7 Cb 0.25 -1.71 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 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 -2.02 0.00 0.15 0.54 4.01 -1.22 -4.41 117.16 114.21 1ggw n TYR 8 Ca 0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.72 1ggw n TYR 8 Cb 0.40 -0.21 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 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 -0.42 -0.44 -0.28 -0.72 3.64 -1.02 -1.75 116.57 115.57 1ggw h LYS 9 Ca 0.00 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1ggw h LYS 9 Cb 0.42 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1ggw h LYS 9 CO 0.00 -0.27 0.17 0.37 -2.27 0.00 0.00 179.45 177.45 1ggw h GLN 10 N -1.11 0.33 -0.91 1.90 -0.00 -0.61 -2.33 115.11 112.38 1ggw h GLN 10 Ca -0.05 -0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1ggw h GLN 10 Cb 0.37 -0.07 -0.05 0.00 0.00 0.00 0.00 27.48 27.73 1ggw h GLN 10 CO 0.08 0.22 0.59 0.00 0.00 0.00 0.00 178.83 179.72 1ggw h ALA 11 N 1.12 1.20 -0.56 3.38 0.00 -0.92 -2.11 119.26 121.37 1ggw h ALA 11 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1ggw h ALA 11 Cb -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 1ggw h ALA 11 CO -0.05 0.46 0.27 0.35 0.00 0.00 0.00 179.25 180.29 1ggw h PHE 12 N 1.16 0.50 -0.32 0.00 3.04 -0.83 -1.60 116.94 118.88 1ggw h PHE 12 Ca 0.36 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.30 1ggw h PHE 12 Cb -0.01 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.34 1ggw h PHE 12 CO -0.01 0.22 0.07 0.77 -2.02 0.00 0.00 178.31 177.33 1ggw h SER 13 N 0.52 0.43 -0.27 0.41 0.02 -0.89 -2.50 113.55 111.27 1ggw h SER 13 Ca 0.26 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.22 1ggw h SER 13 Cb 0.20 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1ggw h SER 13 CO -0.19 0.45 0.19 -0.07 -1.14 0.00 0.00 176.83 176.06 1ggw h LEU 14 N 0.46 0.03 -3.30 5.07 3.38 -0.77 -1.70 115.31 118.48 1ggw h LEU 14 Ca 0.11 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.74 1ggw h LEU 14 Cb 0.20 -0.01 -0.18 0.00 0.09 0.00 0.00 40.66 40.77 1ggw h LEU 14 CO -0.00 0.02 0.43 0.49 0.09 0.00 0.00 178.44 179.46 1ggw n PHE 15 N -4.46 1.83 -2.49 1.13 3.72 -0.94 -4.92 117.46 111.32 1ggw n PHE 15 Ca 0.03 -1.58 -0.43 0.00 -0.05 0.00 0.00 57.45 55.42 1ggw n PHE 15 Cb 0.33 -0.79 -0.02 0.00 -0.94 0.00 0.00 39.48 38.06 1ggw n PHE 15 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1ggw s ASP 16 N -0.31 6.61 -0.03 4.37 -4.77 -0.64 -4.78 116.67 117.11 1ggw s ASP 16 Ca 0.35 0.84 -0.26 0.00 -3.30 0.00 0.00 52.55 50.18 1ggw s ASP 16 Cb 0.29 -2.54 -0.21 0.00 -1.09 0.00 0.00 42.92 39.37 1ggw s ASP 16 CO 0.04 -1.20 1.21 -0.09 0.70 0.00 0.00 175.17 175.83 1ggw h ARG 17 N 9.48 0.03 -0.01 2.11 9.65 -1.91 -3.36 114.38 130.37 1ggw h ARG 17 Ca -0.25 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1ggw h ARG 17 Cb 1.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1ggw h ARG 17 CO 1.08 0.57 -0.02 0.72 2.80 0.00 0.00 179.97 185.11 1ggw n HIS 18 N -4.80 0.00 -2.71 2.20 8.25 -1.26 -5.02 115.22 111.88 1ggw n HIS 18 Ca -0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.29 1ggw n HIS 18 Cb 0.29 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.44 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 0.38 0.10 0.07 -1.41 0.00 -1.26 -4.97 105.19 98.10 1ggw n GLY 19 Ca 0.03 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.61 1.48 -1.08 2.61 -2.24 -1.26 -4.97 114.28 106.21 1ggw n THR 20 Ca -0.11 -1.72 -0.03 0.00 -2.27 0.00 0.00 64.05 59.93 1ggw n THR 20 Cb 0.57 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.05 0.56 3.26 3.38 0.00 -1.26 -5.01 105.19 105.07 1ggw n GLY 21 Ca 0.10 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.41 1.08 -0.02 1.61 0.52 -1.26 -3.25 118.95 116.22 1ggw s ARG 22 Ca 0.00 -1.41 -0.01 0.00 -0.52 0.00 0.00 55.73 53.79 1ggw s ARG 22 Cb 0.00 -0.77 0.02 0.00 0.52 0.00 0.00 34.95 34.72 1ggw s ARG 22 CO 0.00 0.12 0.05 0.96 0.02 0.00 0.00 175.30 176.45 1ggw s ILE 23 N -2.93 -0.03 0.72 1.52 -4.36 -0.88 -4.36 121.20 110.88 1ggw s ILE 23 Ca 0.15 0.10 -0.07 0.00 -0.26 0.00 0.00 60.65 60.58 1ggw s ILE 23 Cb -0.00 -0.09 0.07 0.00 1.25 0.00 0.00 42.46 43.69 1ggw s ILE 23 CO 0.02 0.04 1.03 -2.16 0.24 0.00 0.00 174.94 174.12 1ggw s PRO 24 N 0.56 2.10 0.39 0.37 0.04 -1.26 -2.12 135.00 135.07 1ggw s PRO 24 Ca -0.04 -0.28 0.23 0.00 0.04 0.00 0.00 61.00 60.94 1ggw s PRO 24 Cb -0.06 -2.15 1.29 0.00 0.04 0.00 0.00 34.50 33.61 1ggw s PRO 24 CO -0.02 -1.31 1.63 1.57 0.04 0.00 0.00 177.00 178.91 1ggw h LYS 25 N -0.66 0.15 -0.45 4.56 2.10 -1.90 0.26 116.57 120.62 1ggw h LYS 25 Ca -0.44 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1ggw h LYS 25 Cb 1.31 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 1ggw h LYS 25 CO 0.59 0.10 0.29 1.79 -2.00 0.00 0.00 179.45 180.22 1ggw h THR 26 N 0.16 1.13 -0.20 0.07 1.35 -1.94 -2.12 112.91 111.35 1ggw h THR 26 Ca 0.79 -0.26 -0.09 0.00 -0.55 0.00 0.00 66.41 66.30 1ggw h THR 26 Cb 2.16 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1ggw h THR 26 CO -0.55 0.13 -0.21 0.28 -0.25 0.00 0.00 175.52 174.91 1ggw h SER 27 N 0.61 0.53 -0.47 5.36 0.02 -0.86 -3.16 113.55 115.59 1ggw h SER 27 Ca 0.17 -0.49 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 1ggw h SER 27 Cb -0.04 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1ggw h SER 27 CO -0.03 0.91 0.31 0.40 -1.14 0.00 0.00 176.83 177.28 1ggw h ILE 28 N 0.17 0.99 0.22 3.27 1.08 -1.24 -0.47 117.51 121.53 1ggw h ILE 28 Ca 0.03 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1ggw h ILE 28 Cb 0.77 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1ggw h ILE 28 CO 0.05 0.08 -0.21 1.23 -0.69 0.00 0.00 178.15 178.62 1ggw h GLY 29 N 0.43 -0.89 2.00 5.37 0.00 -1.35 0.12 103.07 108.76 1ggw h GLY 29 Ca 0.20 0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.88 1ggw h GLY 29 CO -0.05 -0.30 -0.20 1.29 0.00 0.00 0.00 176.54 177.28 1ggw h ASP 30 N -0.42 0.00 -0.07 0.19 3.04 -1.62 -2.82 116.42 114.70 1ggw h ASP 30 Ca -0.03 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.76 1ggw h ASP 30 Cb 0.36 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.65 1ggw h ASP 30 CO -0.01 0.20 0.04 0.25 -2.04 0.00 0.00 179.24 177.68 1ggw h LEU 31 N 0.00 0.09 -1.92 0.15 5.85 -0.83 -2.32 115.31 116.34 1ggw h LEU 31 Ca -0.00 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1ggw h LEU 31 Cb 0.40 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1ggw h LEU 31 CO 0.03 0.15 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.14 1ggw h LEU 32 N 0.03 0.00 -1.34 2.25 3.38 -0.73 -2.15 115.31 116.75 1ggw h LEU 32 Ca 0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1ggw h LEU 32 Cb 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1ggw h LEU 32 CO -0.00 0.06 0.50 -0.09 0.09 0.00 0.00 178.44 179.00 1ggw h ARG 33 N 0.00 0.75 -0.01 1.13 2.43 -0.64 -0.36 114.38 117.68 1ggw h ARG 33 Ca -0.00 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1ggw h ARG 33 Cb 0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1ggw h ARG 33 CO 0.01 0.50 -0.26 0.00 -1.51 0.00 0.00 179.97 178.71 1ggw h ALA 34 N 1.59 1.56 -0.60 2.80 0.00 -1.36 -2.64 119.26 120.61 1ggw h ALA 34 Ca 0.34 -0.24 -0.35 0.00 0.00 0.00 0.00 54.91 54.67 1ggw h ALA 34 Cb 0.33 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 17.87 1ggw h ALA 34 CO -0.12 0.33 0.11 0.00 0.00 0.00 0.00 179.25 179.57 1ggw n GLY 36 N -1.07 -0.26 3.47 0.00 0.00 -0.73 -5.02 105.19 101.57 1ggw n GLY 36 Ca 0.43 0.06 -0.24 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 1.91 -0.22 1.61 -1.52 -1.21 -4.73 119.66 115.49 1ggw s GLN 37 Ca 0.00 -2.16 0.01 0.00 -1.95 0.00 0.00 55.36 51.26 1ggw s GLN 37 Cb 0.00 -0.38 0.03 0.00 -0.22 0.00 0.00 33.01 32.44 1ggw s GLN 37 CO 0.00 -0.54 -0.14 1.21 -0.25 0.00 0.00 175.29 175.57 1ggw s ASN 38 N -3.56 3.80 0.20 5.90 3.04 -1.26 -1.38 114.94 121.68 1ggw s ASN 38 Ca 0.27 -0.91 0.00 0.00 0.04 0.00 0.00 52.86 52.26 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 -0.08 0.00 -0.81 -3.04 0.00 0.00 177.10 173.34 1ggw n PRO 39 N 4.58 1.13 -3.42 0.43 -0.04 -1.26 -4.93 135.00 131.49 1ggw n PRO 39 Ca -0.18 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.08 1ggw n PRO 39 Cb 0.47 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.19 4.27 0.37 0.52 -4.23 -1.26 -4.96 115.64 110.55 1ggw s THR 40 Ca 0.00 -0.85 0.10 0.00 -1.18 0.00 0.00 61.69 59.76 1ggw s THR 40 Cb 0.00 -3.51 0.33 0.00 1.34 0.00 0.00 72.50 70.66 1ggw s THR 40 CO 0.00 -0.24 1.88 -0.07 -0.54 0.00 0.00 174.62 175.65 1ggw h LEU 41 N 0.81 0.60 -1.23 4.79 -0.00 -1.99 0.09 115.31 118.38 1ggw h LEU 41 Ca -0.47 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.45 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 0.31 0.52 0.00 -0.00 0.00 0.00 178.44 179.82 1ggw h ALA 42 N 1.61 1.44 0.31 1.53 0.00 -1.98 -0.43 119.26 121.73 1ggw h ALA 42 Ca 0.43 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1ggw h ALA 42 Cb 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ggw h ALA 42 CO -0.18 0.52 -0.15 1.49 0.00 0.00 0.00 179.25 180.93 1ggw h GLU 43 N 1.07 -0.40 -0.59 0.00 4.22 -1.37 -1.07 114.58 116.43 1ggw h GLU 43 Ca 0.29 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.81 1ggw h GLU 43 Cb -0.12 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1ggw h GLU 43 CO -0.06 -0.08 0.31 -0.84 -2.18 0.00 0.00 179.01 176.15 1ggw h ILE 44 N -0.76 0.94 -0.92 2.32 -2.65 -1.34 -0.76 117.51 114.35 1ggw h ILE 44 Ca -0.04 -0.20 0.03 0.00 1.03 0.00 0.00 64.86 65.68 1ggw h ILE 44 Cb 0.50 0.32 -0.05 0.00 -2.05 0.00 0.00 36.82 35.54 1ggw h ILE 44 CO 0.07 0.10 0.60 0.74 0.03 0.00 0.00 178.15 179.70 1ggw h THR 45 N 0.58 1.18 -0.96 0.16 2.02 -1.08 -1.32 112.91 113.48 1ggw h THR 45 Ca 0.27 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1ggw h THR 45 Cb 0.18 -0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.44 1ggw h THR 45 CO -0.18 0.21 0.63 -0.08 0.37 0.00 0.00 175.52 176.47 1ggw h GLU 46 N 1.18 1.21 -0.16 6.66 4.57 0.20 -1.59 114.58 126.65 1ggw h GLU 46 Ca 0.36 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1ggw h GLU 46 Cb -0.03 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.28 1ggw h GLU 46 CO -0.10 0.80 0.06 0.82 -1.18 0.00 0.00 179.01 179.41 1ggw h ILE 47 N 1.24 1.17 -0.17 2.32 2.04 -0.45 -2.24 117.51 121.41 1ggw h ILE 47 Ca 0.37 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1ggw h ILE 47 Cb -0.05 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1ggw h ILE 47 CO -0.11 0.16 0.20 -0.33 0.00 0.00 0.00 178.15 178.07 1ggw h GLU 48 N 0.10 0.00 0.00 2.37 5.08 -0.73 -1.29 114.58 120.10 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 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ggw h GLU 48 CO -0.00 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.46 1ggw n SER 49 N -3.79 0.00 -0.01 1.42 2.88 -0.65 -3.51 113.62 109.96 1ggw n SER 49 Ca 0.01 0.31 -0.03 0.00 -1.33 0.00 0.00 58.87 57.83 1ggw n SER 49 Cb 0.32 -0.37 -0.01 0.00 -0.75 0.00 0.00 64.21 63.40 1ggw n SER 49 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ggw n THR 50 N -1.37 0.23 -3.01 2.46 -2.24 -0.50 -5.05 114.28 104.81 1ggw n THR 50 Ca 0.03 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1ggw n THR 50 Cb 0.06 -1.55 -0.04 0.00 -2.10 0.00 0.00 70.33 66.71 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 -6.22 3.92 0.33 3.22 2.01 -1.16 -5.01 118.68 115.77 1ggw s LEU 51 Ca -0.04 1.08 -0.22 0.00 0.01 0.00 0.00 54.13 54.96 1ggw s LEU 51 Cb 0.02 -3.94 -0.15 0.00 0.01 0.00 0.00 46.19 42.13 1ggw s LEU 51 CO 0.05 -0.32 0.19 -2.65 1.01 0.00 0.00 176.35 174.64 1ggw n PRO 52 N -1.02 0.00 -0.02 1.29 -0.02 -1.26 -4.67 135.00 129.29 1ggw n PRO 52 Ca 0.02 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1ggw n PRO 52 Cb 0.54 -0.94 -0.01 0.00 -0.02 0.00 0.00 33.50 33.07 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 -0.70 -0.04 -2.69 3.55 0.00 -1.26 -3.99 120.51 115.38 1ggw n ALA 53 Ca 0.12 0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 1ggw n ALA 53 Cb 0.34 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 1ggw n ALA 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ggw s GLU 54 N -3.30 4.38 -0.98 0.00 2.12 -1.26 -4.90 118.70 114.76 1ggw s GLU 54 Ca -0.01 1.01 -0.20 0.00 0.36 0.00 0.00 54.97 56.14 1ggw s GLU 54 Cb 0.01 -3.51 0.11 0.00 0.26 0.00 0.00 34.13 30.99 1ggw s GLU 54 CO 0.04 -0.15 1.25 0.08 -0.54 0.00 0.00 175.26 175.94 1ggw s VAL 55 N 1.50 4.50 0.85 3.70 1.01 -0.90 -4.83 120.40 126.23 1ggw s VAL 55 Ca 0.40 -1.41 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 1ggw s VAL 55 Cb -0.18 -4.88 0.18 0.00 0.00 0.00 0.00 36.38 31.51 1ggw s VAL 55 CO 0.16 -1.65 1.16 -0.90 0.00 0.00 0.00 175.10 173.88 1ggw n ASP 56 N 7.22 0.71 -0.33 3.32 5.68 -1.26 -2.07 116.55 129.81 1ggw n ASP 56 Ca 0.28 -1.80 0.17 0.00 -0.50 0.00 0.00 54.79 52.94 1ggw n ASP 56 Cb 0.49 -0.83 0.34 0.00 -1.14 0.00 0.00 41.12 39.98 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 0.04 0.23 0.11 2.86 -1.94 0.12 114.93 116.35 1ggw h MET 57 Ca -0.38 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1ggw h MET 57 Cb 1.20 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1ggw h MET 57 CO 0.33 0.03 -0.11 1.49 1.06 0.00 0.00 176.91 179.70 1ggw h GLU 58 N 0.04 -0.30 0.04 1.72 4.81 -1.92 -1.88 114.58 117.10 1ggw h GLU 58 Ca 0.63 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.89 1ggw h GLU 58 Cb 1.37 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 1ggw h GLU 58 CO -0.85 0.04 -0.13 1.96 -0.73 0.00 0.00 179.01 179.31 1ggw h GLN 59 N -0.69 -0.23 -0.02 1.92 7.50 -1.48 0.13 115.11 122.25 1ggw h GLN 59 Ca -0.03 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1ggw h GLN 59 Cb 0.48 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 1ggw h GLN 59 CO 0.05 -0.15 -0.01 0.35 -1.50 0.00 0.00 178.83 177.57 1ggw h PHE 60 N -0.24 -0.03 -0.23 2.96 3.57 -0.93 -2.26 116.94 119.79 1ggw h PHE 60 Ca 0.03 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1ggw h PHE 60 Cb 0.27 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1ggw h PHE 60 CO -0.17 -0.02 0.07 -0.07 -2.23 0.00 0.00 178.31 175.90 1ggw h LEU 61 N -0.01 0.28 -0.01 0.59 3.38 -1.20 0.34 115.31 118.67 1ggw h LEU 61 Ca 0.01 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ggw h LEU 61 Cb 0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ggw h LEU 61 CO -0.03 0.28 -0.02 -0.61 0.09 0.00 0.00 178.44 178.15 1ggw h GLN 62 N 0.32 -0.04 -0.01 1.13 -0.00 -0.15 0.52 115.11 116.88 1ggw h GLN 62 Ca 0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.52 1ggw h GLN 62 Cb 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.58 1ggw h GLN 62 CO -0.01 -0.02 -0.88 -0.39 0.00 0.00 0.00 178.83 177.53 1ggw h VAL 63 N -0.04 1.43 -0.16 2.39 -1.51 -1.20 -3.30 116.25 113.86 1ggw h VAL 63 Ca 0.02 -2.46 -0.06 0.00 -1.23 0.00 0.00 66.70 62.96 1ggw h VAL 63 Cb 0.06 2.39 -0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1ggw h VAL 63 CO -0.04 0.73 -0.14 0.25 -1.23 0.00 0.00 177.57 177.15 1ggw h LEU 64 N 0.19 0.39 -4.88 4.19 5.85 -0.77 -3.27 115.31 117.02 1ggw h LEU 64 Ca -0.06 -0.47 -0.61 0.00 0.84 0.00 0.00 57.88 57.58 1ggw h LEU 64 Cb 1.50 -0.11 -0.20 0.00 0.37 0.00 0.00 40.66 42.23 1ggw h LEU 64 CO 0.15 0.78 0.83 0.59 -0.34 0.00 0.00 178.44 180.45 1ggw n ASN 65 N -4.56 6.97 0.30 1.25 5.03 0.18 -4.71 115.26 119.72 1ggw n ASN 65 Ca -0.06 -3.38 -0.17 0.00 0.87 0.00 0.00 54.58 51.84 1ggw n ASN 65 Cb 0.36 -1.20 -0.09 0.00 -1.02 0.00 0.00 39.78 37.83 1ggw n ASN 65 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1ggw h ARG 66 N 3.26 -0.68 -1.00 3.52 3.08 -1.64 -2.84 114.38 118.08 1ggw h ARG 66 Ca 0.48 0.05 -0.18 0.00 0.07 0.00 0.00 59.98 60.40 1ggw h ARG 66 Cb 0.48 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.57 1ggw h ARG 66 CO 1.10 -0.45 0.23 -0.35 -1.07 0.00 0.00 179.97 179.43 1ggw n PRO 67 N -5.39 1.43 -3.76 0.04 -0.04 -1.26 -4.91 135.00 121.11 1ggw n PRO 67 Ca -0.12 -1.03 -0.26 0.00 -0.04 0.00 0.00 63.50 62.04 1ggw n PRO 67 Cb 0.30 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1ggw n PRO 67 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ggw n ASN 68 N -0.06 -4.81 -3.69 3.54 6.94 -1.07 -4.93 115.26 111.17 1ggw n ASN 68 Ca 0.21 -0.89 0.03 0.00 -0.02 0.00 0.00 54.58 53.90 1ggw n ASN 68 Cb 0.90 -1.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.75 1ggw n ASN 68 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ggw s GLY 69 N -2.81 -0.34 -0.20 4.83 0.00 -1.26 -5.08 107.32 102.46 1ggw s GLY 69 Ca 0.04 0.53 -0.16 0.00 0.00 0.00 0.00 44.72 45.14 1ggw s GLY 69 CO 0.89 2.11 -0.34 0.69 0.00 0.00 0.00 173.10 176.45 1ggw n PHE 70 N -0.64 0.00 -2.90 1.90 3.72 -1.26 -4.63 117.46 113.65 1ggw n PHE 70 Ca -0.05 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.92 1ggw n PHE 70 Cb 0.62 -0.62 0.01 0.00 -0.94 0.00 0.00 39.48 38.54 1ggw n PHE 70 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ggw n ASP 71 N -4.36 5.81 0.08 4.37 9.92 -1.26 -4.36 116.55 126.76 1ggw n ASP 71 Ca -0.25 -3.23 0.00 0.00 -0.53 0.00 0.00 54.79 50.79 1ggw n ASP 71 Cb 0.61 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 1ggw n ASP 71 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 1ggw n MET 72 N 2.64 0.00 -0.29 -1.24 0.00 -1.26 -4.88 117.12 112.09 1ggw n MET 72 Ca 0.30 0.00 0.05 0.00 0.00 0.00 0.00 57.70 58.05 1ggw n MET 72 Cb 0.36 0.00 0.14 0.00 0.00 0.00 0.00 33.22 33.72 1ggw n MET 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1ggw h PRO 73 N 0.00 0.03 -1.29 3.17 0.11 -1.82 -3.15 132.00 129.04 1ggw h PRO 73 Ca 0.00 -0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.71 1ggw h PRO 73 Cb 0.00 -0.01 -0.40 0.00 0.11 0.00 0.00 31.00 30.70 1ggw h PRO 73 CO 0.00 0.02 -1.18 0.41 -0.21 0.00 0.00 178.00 177.04 1ggw n GLY 74 N -1.50 2.25 3.84 -0.55 0.00 -1.26 -5.03 105.19 102.93 1ggw n GLY 74 Ca 0.14 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 1ggw n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ggw s ASP 75 N -2.96 6.73 0.29 1.61 2.15 -1.19 -4.98 116.67 118.32 1ggw s ASP 75 Ca 0.31 1.57 -0.02 0.00 0.43 0.00 0.00 52.55 54.85 1ggw s ASP 75 Cb 0.43 -2.50 0.45 0.00 -0.30 0.00 0.00 42.92 40.99 1ggw s ASP 75 CO -0.00 -0.48 1.94 -0.65 -0.17 0.00 0.00 175.17 175.80 1ggw h PRO 76 N 1.32 1.09 -0.46 4.34 0.11 -1.98 -2.20 132.00 134.21 1ggw h PRO 76 Ca -0.48 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 1ggw h PRO 76 Cb 1.18 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1ggw h PRO 76 CO 0.62 0.72 0.09 0.93 -0.21 0.00 0.00 178.00 180.15 1ggw h GLU 77 N 1.13 0.71 -0.53 1.05 3.07 -1.99 -0.94 114.58 117.08 1ggw h GLU 77 Ca 0.36 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 59.01 1ggw h GLU 77 Cb 0.02 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1ggw h GLU 77 CO -0.11 0.66 0.07 1.49 -1.40 0.00 0.00 179.01 179.73 1ggw h GLU 78 N 0.68 0.88 -0.22 2.33 4.81 -1.76 -1.45 114.58 119.86 1ggw h GLU 78 Ca 0.15 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 1ggw h GLU 78 Cb 0.29 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ggw h GLU 78 CO 0.00 0.87 -0.31 0.27 -0.73 0.00 0.00 179.01 179.11 1ggw h PHE 79 N 0.76 0.74 -0.53 0.92 -5.15 -1.27 -2.33 116.94 110.08 1ggw h PHE 79 Ca 0.16 -0.24 0.00 0.00 -0.20 0.00 0.00 57.97 57.69 1ggw h PHE 79 Cb 0.43 -0.15 -0.03 0.00 0.22 0.00 0.00 35.95 36.42 1ggw h PHE 79 CO 0.03 0.97 0.34 0.28 -2.00 0.00 0.00 178.31 177.93 1ggw h VAL 80 N 0.30 1.15 -0.25 0.88 2.07 -1.12 -2.59 116.25 116.69 1ggw h VAL 80 Ca 0.03 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1ggw h VAL 80 Cb 0.89 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1ggw h VAL 80 CO 0.07 0.15 -0.26 0.50 0.02 0.00 0.00 177.57 178.05 1ggw h LYS 81 N 0.72 0.48 -0.15 1.57 1.63 -1.29 -1.43 116.57 118.10 1ggw h LYS 81 Ca 0.19 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1ggw h LYS 81 Cb -0.05 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1ggw h LYS 81 CO -0.04 0.70 0.09 0.78 -3.45 0.00 0.00 179.45 177.54 1ggw h GLY 82 N 1.02 0.23 1.63 5.01 0.00 -1.05 -2.84 103.07 107.07 1ggw h GLY 82 Ca 0.06 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 1ggw h GLY 82 CO 0.05 0.09 -0.53 0.74 0.00 0.00 0.00 176.54 176.89 1ggw h PHE 83 N 0.17 0.49 -0.18 5.60 -1.00 -1.44 -3.36 116.94 117.22 1ggw h PHE 83 Ca 0.06 -0.17 -0.69 0.00 2.81 0.00 0.00 57.97 59.98 1ggw h PHE 83 Cb 0.04 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.47 1ggw h PHE 83 CO -0.05 0.84 2.81 0.94 -1.61 0.00 0.00 178.31 181.25 1ggw n GLN 84 N -3.94 2.75 0.07 1.51 7.27 -0.55 -4.24 117.38 120.25 1ggw n GLN 84 Ca -0.02 -2.66 0.00 0.00 0.07 0.00 0.00 57.00 54.39 1ggw n GLN 84 Cb 0.58 -3.31 0.00 0.00 2.41 0.00 0.00 30.24 29.92 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 5.52 0.32 -2.01 1.69 0.31 -1.26 -4.86 118.33 118.04 1ggw n VAL 85 Ca 0.51 0.10 -0.27 0.00 -0.01 0.00 0.00 64.34 64.68 1ggw n VAL 85 Cb 0.41 -0.74 0.03 0.00 -0.91 0.00 0.00 33.84 32.62 1ggw n VAL 85 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1ggw n PHE 86 N -3.15 2.95 -3.10 3.52 -0.00 -1.26 -4.84 117.46 111.58 1ggw n PHE 86 Ca 0.00 -2.50 -0.31 0.00 -0.00 0.00 0.00 57.45 54.64 1ggw n PHE 86 Cb 0.00 -0.48 -0.04 0.00 -0.00 0.00 0.00 39.48 38.96 1ggw n PHE 86 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1ggw n ASP 87 N -0.69 4.89 0.20 -2.13 2.03 -1.26 -4.89 116.55 114.71 1ggw n ASP 87 Ca 0.46 -3.56 -0.15 0.00 0.52 0.00 0.00 54.79 52.07 1ggw n ASP 87 Cb 0.84 -0.79 -0.08 0.00 -0.72 0.00 0.00 41.12 40.37 1ggw n ASP 87 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ggw h LYS 88 N 3.98 -0.45 0.00 -0.67 1.63 -1.97 -3.43 116.57 115.65 1ggw h LYS 88 Ca 0.22 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1ggw h LYS 88 Cb 0.56 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1ggw h LYS 88 CO 0.95 -0.30 0.00 -3.47 -3.45 0.00 0.00 179.45 173.18 1ggw n ASP 89 N -5.30 0.30 -3.70 4.20 -0.08 -1.26 -5.07 116.55 105.65 1ggw n ASP 89 Ca -0.10 0.05 -0.29 0.00 -1.51 0.00 0.00 54.79 52.95 1ggw n ASP 89 Cb 0.21 -0.08 0.02 0.00 2.34 0.00 0.00 41.12 43.61 1ggw n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ggw n ALA 90 N -2.81 -2.62 -0.05 -1.67 0.00 -1.26 -4.90 120.51 107.20 1ggw n ALA 90 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 1ggw n ALA 90 Cb 0.00 -2.70 -0.06 0.00 0.00 0.00 0.00 19.45 16.70 1ggw n ALA 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ggw h THR 91 N -1.33 1.21 -1.77 0.00 2.02 -1.99 -3.38 112.91 107.66 1ggw h THR 91 Ca -0.58 -0.67 -0.49 0.00 0.77 0.00 0.00 66.41 65.44 1ggw h THR 91 Cb 1.33 1.35 -0.37 0.00 -1.74 0.00 0.00 68.15 68.72 1ggw h THR 91 CO 0.44 0.20 -1.08 0.61 0.37 0.00 0.00 175.52 176.06 1ggw n GLY 92 N -0.48 2.92 3.64 2.16 0.00 -1.26 -5.10 105.19 107.07 1ggw n GLY 92 Ca -0.05 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.57 0.10 -0.08 1.61 0.23 -1.26 -4.47 119.30 113.86 1ggw s MET 93 Ca 0.36 0.02 -0.00 0.00 -1.03 0.00 0.00 55.69 55.05 1ggw s MET 93 Cb 0.26 0.05 -0.05 0.00 -1.53 0.00 0.00 34.83 33.56 1ggw s MET 93 CO -0.10 -0.03 -0.07 1.51 -2.03 0.00 0.00 175.02 174.30 1ggw n ILE 94 N 0.53 0.43 -2.41 3.16 0.00 -1.26 -4.77 119.36 115.04 1ggw n ILE 94 Ca -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 62.75 62.53 1ggw n ILE 94 Cb 0.59 -0.89 0.01 0.00 0.00 0.00 0.00 39.64 39.34 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 3.04 -1.21 0.51 4.50 0.00 -1.11 -4.70 105.19 106.22 1ggw n GLY 95 Ca -0.14 0.80 0.36 0.00 0.00 0.00 0.00 46.02 47.04 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 1.37 0.28 -0.88 1.61 2.07 -1.09 -0.75 116.25 118.86 1ggw h VAL 96 Ca 0.00 -0.04 0.23 0.00 0.82 0.00 0.00 66.70 67.71 1ggw h VAL 96 Cb 0.65 0.15 -0.13 0.00 -1.52 0.00 0.00 31.29 30.44 1ggw h VAL 96 CO 0.13 0.02 0.30 1.23 0.02 0.00 0.00 177.57 179.28 1ggw h GLY 97 N 0.12 1.43 0.16 2.17 0.00 -1.82 0.74 103.07 105.88 1ggw h GLY 97 Ca 0.71 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 1ggw h GLY 97 CO -0.21 -0.33 -0.01 -2.09 0.00 0.00 0.00 176.54 173.90 1ggw h GLU 98 N 0.28 0.01 -0.83 4.80 4.22 -1.43 -2.55 114.58 119.08 1ggw h GLU 98 Ca 0.55 -0.01 0.07 0.00 0.08 0.00 0.00 59.36 60.05 1ggw h GLU 98 Cb 1.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1ggw h GLU 98 CO -0.60 0.85 0.54 1.37 -2.18 0.00 0.00 179.01 178.99 1ggw h LEU 99 N -0.84 0.79 -0.10 1.64 8.10 -1.37 -2.45 115.31 121.09 1ggw h LEU 99 Ca -0.00 0.01 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 1ggw h LEU 99 Cb 0.86 -0.16 -0.00 0.00 -0.44 0.00 0.00 40.66 40.91 1ggw h LEU 99 CO 0.00 0.51 -0.15 -0.09 -4.11 0.00 0.00 178.44 174.60 1ggw h ARG 100 N 0.90 0.27 -0.97 0.17 2.43 0.38 -2.19 114.38 115.38 1ggw h ARG 100 Ca 0.36 -0.16 0.19 0.00 -0.81 0.00 0.00 59.98 59.56 1ggw h ARG 100 Cb 0.25 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.72 1ggw h ARG 100 CO -0.13 0.74 0.61 -0.92 -1.51 0.00 0.00 179.97 178.76 1ggw h TYR 101 N -0.16 0.88 -0.00 2.20 3.20 -1.01 0.32 116.97 122.39 1ggw h TYR 101 Ca 0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1ggw h TYR 101 Cb 0.71 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1ggw h TYR 101 CO 0.10 0.22 -0.09 0.28 -1.64 0.00 0.00 178.16 177.03 1ggw h VAL 102 N 0.65 1.57 -0.43 1.81 2.07 -1.44 -3.22 116.25 117.27 1ggw h VAL 102 Ca 0.53 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 1ggw h VAL 102 Cb 0.97 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.48 1ggw h VAL 102 CO -0.29 0.48 0.11 -0.07 0.02 0.00 0.00 177.57 177.81 1ggw h LEU 103 N -0.64 0.59 -0.96 2.57 3.38 -0.71 -2.67 115.31 116.87 1ggw h LEU 103 Ca -0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1ggw h LEU 103 Cb 0.84 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1ggw h LEU 103 CO 0.02 0.59 0.17 0.71 0.09 0.00 0.00 178.44 180.01 1ggw h THR 104 N 0.62 1.24 0.00 0.22 1.35 -0.50 -2.20 112.91 113.64 1ggw h THR 104 Ca 0.14 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1ggw h THR 104 Cb 0.23 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1ggw h THR 104 CO -0.00 0.32 0.00 0.28 -0.25 0.00 0.00 175.52 175.86 1ggw h SER 105 N 0.89 0.00 0.45 5.36 0.02 -1.48 -2.82 113.55 115.96 1ggw h SER 105 Ca 0.20 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1ggw h SER 105 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1ggw h SER 105 CO -0.00 0.00 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.40 1ggw h LEU 106 N 0.00 -0.51 0.00 5.07 3.38 -1.23 -3.45 115.31 118.57 1ggw h LEU 106 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ggw h LEU 106 Cb 0.54 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1ggw h LEU 106 CO 0.00 -0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.02 1ggw n GLY 107 N -0.31 0.00 3.10 0.83 0.00 -1.23 -4.97 105.19 102.60 1ggw n GLY 107 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -5.96 0.00 1.61 1.02 -1.06 -5.02 120.64 111.22 1ggw n GLU 108 Ca 0.00 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1ggw n GLU 108 Cb 0.00 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.21 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ggw n LYS 109 N -3.98 2.42 -1.95 3.49 3.00 -1.19 -4.60 118.16 115.35 1ggw n LYS 109 Ca -0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.06 1ggw n LYS 109 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.52 1ggw n LYS 109 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1ggw s LEU 110 N 0.00 2.95 0.00 3.14 1.98 -1.26 -4.85 118.68 120.64 1ggw s LEU 110 Ca 0.00 -1.16 0.00 0.00 -2.89 0.00 0.00 54.13 50.08 1ggw s LEU 110 Cb 0.00 -2.58 0.00 0.00 0.66 0.00 0.00 46.19 44.27 1ggw s LEU 110 CO 0.00 -3.34 0.00 -1.54 -1.89 0.00 0.00 176.35 169.58 1ggw n SER 111 N 15.51 0.00 0.07 3.68 3.41 -1.26 -4.52 113.62 130.51 1ggw n SER 111 Ca 0.43 -0.76 0.18 0.00 -0.26 0.00 0.00 58.87 58.47 1ggw n SER 111 Cb 0.46 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.13 1ggw n SER 111 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ggw h ASN 112 N 0.00 0.00 0.23 4.04 7.08 -1.92 -2.30 115.58 122.70 1ggw h ASN 112 Ca 0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 1ggw h ASN 112 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1ggw h ASN 112 CO 0.00 0.00 -0.11 -0.08 -2.08 0.00 0.00 177.43 175.16 1ggw h GLU 113 N 0.00 -0.29 -0.61 4.14 4.57 -1.94 0.23 114.58 120.67 1ggw h GLU 113 Ca 0.19 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.46 1ggw h GLU 113 Cb 0.82 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.42 1ggw h GLU 113 CO -0.00 -0.20 0.30 0.93 -1.18 0.00 0.00 179.01 178.86 1ggw h GLU 114 N -0.36 0.52 0.00 1.92 3.07 -1.90 -0.80 114.58 117.03 1ggw h GLU 114 Ca -0.03 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.73 1ggw h GLU 114 Cb 0.23 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1ggw h GLU 114 CO 0.05 0.35 -0.30 0.00 -1.40 0.00 0.00 179.01 177.71 1ggw h MET 115 N 0.54 0.00 -0.30 2.33 -0.00 -1.49 -2.64 114.93 113.37 1ggw h MET 115 Ca 0.29 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 60.01 1ggw h MET 115 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.83 1ggw h MET 115 CO -0.22 0.30 0.15 -0.44 -0.00 0.00 0.00 176.91 176.70 1ggw h ASP 116 N 0.00 0.23 -0.59 -0.10 3.32 0.98 0.25 116.42 120.52 1ggw h ASP 116 Ca -0.00 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1ggw h ASP 116 Cb 0.56 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1ggw h ASP 116 CO 0.04 0.17 0.23 -0.33 -1.72 0.00 0.00 179.24 177.63 1ggw h GLU 117 N 0.32 0.88 -0.74 3.56 5.08 -1.27 -1.18 114.58 121.22 1ggw h GLU 117 Ca 0.12 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ggw h GLU 117 Cb 0.04 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1ggw h GLU 117 CO -0.08 0.75 0.39 1.37 -1.00 0.00 0.00 179.01 180.44 1ggw h LEU 118 N 0.81 0.94 -1.08 1.33 8.10 -1.08 -2.34 115.31 121.99 1ggw h LEU 118 Ca 0.20 -0.11 -0.09 0.00 0.11 0.00 0.00 57.88 57.99 1ggw h LEU 118 Cb 0.20 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.17 1ggw h LEU 118 CO -0.02 0.78 -0.34 -0.07 -4.11 0.00 0.00 178.44 174.68 1ggw h LEU 119 N 1.03 0.23 -0.38 0.17 3.38 -0.24 -1.99 115.31 117.51 1ggw h LEU 119 Ca 0.26 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1ggw h LEU 119 Cb 0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ggw h LEU 119 CO -0.04 0.56 0.14 0.50 0.09 0.00 0.00 178.44 179.69 1ggw h LYS 120 N 0.20 0.57 -0.11 1.13 3.64 -0.69 -3.21 116.57 118.09 1ggw h LYS 120 Ca 0.02 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1ggw h LYS 120 Cb 0.69 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1ggw h LYS 120 CO 0.05 0.56 -0.27 0.78 -2.27 0.00 0.00 179.45 178.30 1ggw h GLY 121 N 0.47 0.41 -4.23 5.01 0.00 -1.37 -3.44 103.07 99.92 1ggw h GLY 121 Ca 0.13 -0.51 -0.52 0.00 0.00 0.00 0.00 47.33 46.42 1ggw h GLY 121 CO -0.01 0.46 0.49 0.14 0.00 0.00 0.00 176.54 177.62 1ggw s VAL 122 N -3.91 4.02 -1.23 4.60 1.01 -0.76 -4.94 120.40 119.20 1ggw s VAL 122 Ca -0.14 1.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.37 1ggw s VAL 122 Cb 0.05 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 1ggw s VAL 122 CO 0.77 0.22 2.84 -0.81 0.00 0.00 0.00 175.10 178.12 1ggw n PRO 123 N 2.99 3.08 -4.34 2.72 -0.04 -1.26 -4.78 135.00 133.36 1ggw n PRO 123 Ca 0.05 -1.85 -0.17 0.00 -0.04 0.00 0.00 63.50 61.49 1ggw n PRO 123 Cb 0.47 -2.60 -0.10 0.00 -0.04 0.00 0.00 33.50 31.23 1ggw n PRO 123 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ggw s VAL 124 N 2.28 0.96 -0.48 0.52 0.11 -1.26 -5.09 120.40 117.44 1ggw s VAL 124 Ca 0.62 -2.02 0.07 0.00 -2.93 0.00 0.00 61.98 57.72 1ggw s VAL 124 Cb 0.18 -2.44 0.38 0.00 -1.53 0.00 0.00 36.38 32.97 1ggw s VAL 124 CO -0.05 -0.23 0.98 0.29 -3.33 0.00 0.00 175.10 172.76 1ggw n LYS 125 N -0.45 2.84 0.00 1.54 5.02 -1.26 -4.73 118.16 121.12 1ggw n LYS 125 Ca -0.04 -4.41 0.00 0.00 -2.02 0.00 0.00 58.31 51.84 1ggw n LYS 125 Cb 0.65 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 -0.25 0.00 0.00 4.39 5.75 -1.26 -5.00 116.55 120.18 1ggw n ASP 126 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1ggw n ASP 126 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.99 3.45 6.12 0.00 -1.26 -2.74 105.19 111.74 1ggw n GLY 127 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 0.02 3.25 0.00 1.61 0.00 -1.26 -1.16 119.30 121.76 1ggw s MET 128 Ca 0.00 -0.79 0.16 0.00 0.00 0.00 0.00 55.69 55.06 1ggw s MET 128 Cb 0.00 -3.67 0.27 0.00 0.00 0.00 0.00 34.83 31.43 1ggw s MET 128 CO 0.00 -0.49 1.09 0.28 0.00 0.00 0.00 175.02 175.90 1ggw n VAL 129 N 5.02 0.00 -1.62 10.11 0.31 -1.26 -4.89 118.33 125.99 1ggw n VAL 129 Ca -0.13 -0.62 -0.21 0.00 -0.01 0.00 0.00 64.34 63.37 1ggw n VAL 129 Cb 0.49 0.79 -0.09 0.00 -0.91 0.00 0.00 33.84 34.12 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 0.31 -5.51 -4.20 4.52 2.85 -1.26 -2.66 115.26 109.30 1ggw n ASN 130 Ca 0.01 0.50 -0.35 0.00 -0.11 0.00 0.00 54.58 54.64 1ggw n ASN 130 Cb 0.97 -4.84 -0.03 0.00 1.24 0.00 0.00 39.78 37.13 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 -2.43 -1.71 -0.01 1.20 9.36 -1.26 -4.81 117.16 117.50 1ggw n TYR 131 Ca -0.21 0.79 -0.01 0.00 3.32 0.00 0.00 57.90 61.78 1ggw n TYR 131 Cb 0.68 -3.03 -0.00 0.00 -0.63 0.00 0.00 39.34 36.36 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 -4.39 0.00 -0.33 2.98 -0.00 -1.09 -4.53 115.22 107.87 1ggw n HIS 132 Ca 0.01 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.22 1ggw n HIS 132 Cb 0.52 -0.04 0.17 0.00 -0.12 0.00 0.00 29.99 30.52 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 -0.04 0.86 0.54 0.26 3.58 -1.88 0.50 116.42 120.24 1ggw h ASP 133 Ca -0.03 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1ggw h ASP 133 Cb 1.02 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.92 1ggw h ASP 133 CO -0.02 0.52 -0.26 -0.26 -2.88 0.00 0.00 179.24 176.34 1ggw h PHE 134 N 0.98 -0.68 -0.01 0.28 0.04 -1.89 -2.82 116.94 112.84 1ggw h PHE 134 Ca 0.41 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.14 1ggw h PHE 134 Cb 0.26 0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 1ggw h PHE 134 CO -0.03 -0.35 -0.10 0.28 -0.60 0.00 0.00 178.31 177.51 1ggw h VAL 135 N -1.05 1.08 0.75 -0.55 2.07 -1.76 -0.41 116.25 116.37 1ggw h VAL 135 Ca -0.07 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1ggw h VAL 135 Cb 0.63 1.19 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1ggw h VAL 135 CO 0.12 0.11 -0.36 -0.61 0.02 0.00 0.00 177.57 176.85 1ggw h GLN 136 N 0.01 -0.97 -0.09 1.57 4.15 0.05 0.11 115.11 119.94 1ggw h GLN 136 Ca 0.00 0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.38 1ggw h GLN 136 Cb 0.19 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1ggw h GLN 136 CO 0.01 -0.64 -0.42 1.98 -1.93 0.00 0.00 178.83 177.83 1ggw h MET 137 N -1.01 0.20 -0.07 1.69 4.05 -1.37 -3.15 114.93 115.26 1ggw h MET 137 Ca -0.10 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1ggw h MET 137 Cb 0.77 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.57 1ggw h MET 137 CO 0.17 0.59 0.03 0.82 0.23 0.00 0.00 176.91 178.75 1ggw h ILE 138 N 0.17 1.11 -1.79 1.77 1.08 -0.90 -3.23 117.51 115.72 1ggw h ILE 138 Ca 0.01 -0.31 -0.77 0.00 -0.39 0.00 0.00 64.86 63.40 1ggw h ILE 138 Cb 0.81 1.20 -0.19 0.00 -3.07 0.00 0.00 36.82 35.56 1ggw h ILE 138 CO 0.06 0.09 1.70 0.18 -0.69 0.00 0.00 178.15 179.49 1ggw n LEU 139 N -4.98 7.28 -2.74 1.44 4.32 0.36 -4.61 117.00 118.08 1ggw n LEU 139 Ca -0.06 -5.02 -0.08 0.00 -0.02 0.00 0.00 56.01 50.83 1ggw n LEU 139 Cb 0.09 -1.32 0.06 0.00 -1.62 0.00 0.00 43.42 40.63 1ggw n LEU 139 CO 0.34 1.84 0.27 0.00 -1.22 0.00 0.00 177.39 178.62 1ggw n ALA 140 N 1.69 -1.50 -0.61 -1.18 0.00 -1.22 -4.91 120.51 112.77 1ggw n ALA 140 Ca 0.47 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1ggw n ALA 140 Cb 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59