#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 0.00 0.00 0.44 -2.24 -1.26 -3.85 114.28 107.37 1ggw n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ggw n THR 3 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ggw n THR 3 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ggw n ASP 4 N 2.11 0.00 -3.08 3.42 8.00 -1.26 -5.11 116.55 120.63 1ggw n ASP 4 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1ggw n ASP 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ggw n ASP 4 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ggw s ASP 5 N -3.04 -0.47 0.07 -2.24 -1.08 -1.25 -4.98 116.67 103.68 1ggw s ASP 5 Ca 0.00 -0.01 -0.20 0.00 -0.52 0.00 0.00 52.55 51.83 1ggw s ASP 5 Cb 0.00 1.14 -0.11 0.00 -1.46 0.00 0.00 42.92 42.50 1ggw s ASP 5 CO 0.00 -0.08 1.48 -1.28 0.52 0.00 0.00 175.17 175.81 1ggw h SER 6 N 6.91 0.37 1.02 -0.34 0.87 -1.95 0.41 113.55 120.84 1ggw h SER 6 Ca -0.07 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1ggw h SER 6 Cb 1.19 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1ggw h SER 6 CO -0.08 0.61 0.00 -0.65 -0.53 0.00 0.00 176.83 176.19 1ggw h PRO 7 N 0.11 0.00 0.00 2.24 0.11 -1.97 0.19 132.00 132.69 1ggw h PRO 7 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1ggw h PRO 7 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1ggw h PRO 7 CO 0.01 0.00 -0.18 0.66 -0.21 0.00 0.00 178.00 178.28 1ggw n TYR 8 N -2.77 0.00 0.33 0.65 4.02 -1.18 -4.45 117.16 113.76 1ggw n TYR 8 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.77 1ggw n TYR 8 Cb 0.30 -0.09 -0.06 0.00 -0.02 0.00 0.00 39.34 39.47 1ggw n TYR 8 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1ggw h LYS 9 N -0.18 -0.83 -0.44 -0.72 1.63 -0.52 0.16 116.57 115.68 1ggw h LYS 9 Ca 0.00 0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1ggw h LYS 9 Cb 0.18 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1ggw h LYS 9 CO 0.00 -0.55 0.29 0.37 -3.45 0.00 0.00 179.45 176.10 1ggw h GLN 10 N -1.12 0.57 -0.96 1.90 4.15 -0.85 -2.34 115.11 116.46 1ggw h GLN 10 Ca -0.09 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.32 1ggw h GLN 10 Cb 0.66 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 1ggw h GLN 10 CO 0.14 0.38 0.63 0.00 -1.93 0.00 0.00 178.83 178.05 1ggw h ALA 11 N 1.17 1.23 -0.59 3.38 0.00 -0.67 -2.23 119.26 121.55 1ggw h ALA 11 Ca 0.16 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1ggw h ALA 11 Cb -0.06 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 17.29 1ggw h ALA 11 CO -0.04 0.58 0.24 0.35 0.00 0.00 0.00 179.25 180.38 1ggw h PHE 12 N 1.27 0.42 -0.57 0.00 3.04 -0.13 -0.89 116.94 120.09 1ggw h PHE 12 Ca 0.36 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.32 1ggw h PHE 12 Cb -0.10 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.28 1ggw h PHE 12 CO -0.01 0.14 0.26 1.03 -2.02 0.00 0.00 178.31 177.71 1ggw h SER 13 N 0.44 0.72 -0.21 0.41 0.87 -1.08 -2.29 113.55 112.41 1ggw h SER 13 Ca 0.29 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1ggw h SER 13 Cb 0.32 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1ggw h SER 13 CO -0.27 0.63 0.07 -0.07 -0.53 0.00 0.00 176.83 176.66 1ggw h LEU 14 N 0.80 0.36 -3.47 2.23 3.38 -0.77 -2.44 115.31 115.41 1ggw h LEU 14 Ca 0.20 -0.04 -0.39 0.00 0.09 0.00 0.00 57.88 57.74 1ggw h LEU 14 Cb 0.11 -0.09 -0.20 0.00 0.09 0.00 0.00 40.66 40.56 1ggw h LEU 14 CO -0.02 0.37 0.50 0.49 0.09 0.00 0.00 178.44 179.87 1ggw n PHE 15 N -4.38 2.09 -2.69 1.13 3.01 -0.86 -4.88 117.46 110.88 1ggw n PHE 15 Ca 0.01 -1.79 -0.42 0.00 1.01 0.00 0.00 57.45 56.26 1ggw n PHE 15 Cb 0.16 -0.89 -0.03 0.00 -0.01 0.00 0.00 39.48 38.71 1ggw n PHE 15 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ggw s ASP 16 N -0.54 6.31 0.18 4.37 1.11 -0.92 -4.81 116.67 122.37 1ggw s ASP 16 Ca 0.40 -1.06 -0.11 0.00 0.18 0.00 0.00 52.55 51.96 1ggw s ASP 16 Cb 0.33 -2.50 0.10 0.00 1.07 0.00 0.00 42.92 41.91 1ggw s ASP 16 CO 0.04 -1.55 1.77 -0.09 1.18 0.00 0.00 175.17 176.52 1ggw h ARG 17 N 9.68 0.94 0.12 8.23 9.65 -1.90 -3.18 114.38 137.92 1ggw h ARG 17 Ca -0.11 -0.14 -0.33 0.00 -1.10 0.00 0.00 59.98 58.30 1ggw h ARG 17 Cb 1.04 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 1ggw h ARG 17 CO 1.27 0.75 -1.76 0.45 2.80 0.00 0.00 179.97 183.48 1ggw h HIS 18 N 0.89 0.46 0.00 2.20 3.86 -1.90 -3.49 115.15 117.18 1ggw h HIS 18 Ca 0.22 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1ggw h HIS 18 Cb 0.13 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1ggw h HIS 18 CO 0.00 1.53 0.00 0.41 0.86 0.00 0.00 177.93 180.73 1ggw n GLY 19 N 1.80 0.84 0.00 2.45 0.00 -1.20 -4.96 105.19 104.11 1ggw n GLY 19 Ca -0.23 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.63 0.00 0.00 2.61 -2.24 -1.26 -5.00 114.28 105.76 1ggw n THR 20 Ca 0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1ggw n THR 20 Cb 0.13 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.25 0.91 3.59 3.38 0.00 -1.26 -5.12 105.19 107.93 1ggw n GLY 21 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 1.98 -0.08 1.61 0.52 -1.26 -3.12 118.95 118.60 1ggw s ARG 22 Ca 0.00 -1.74 -0.04 0.00 -0.52 0.00 0.00 55.73 53.43 1ggw s ARG 22 Cb 0.00 -1.89 0.04 0.00 0.52 0.00 0.00 34.95 33.62 1ggw s ARG 22 CO 0.00 0.21 0.19 0.96 0.02 0.00 0.00 175.30 176.68 1ggw s ILE 23 N -2.50 -0.04 0.72 1.52 -4.36 -0.80 -4.22 121.20 111.52 1ggw s ILE 23 Ca 0.33 0.15 -0.07 0.00 -0.26 0.00 0.00 60.65 60.79 1ggw s ILE 23 Cb -0.02 -0.30 0.06 0.00 1.25 0.00 0.00 42.46 43.45 1ggw s ILE 23 CO 0.18 0.06 1.04 -2.16 0.24 0.00 0.00 174.94 174.29 1ggw s PRO 24 N 1.08 2.20 0.38 0.37 0.04 -1.26 -2.16 135.00 135.65 1ggw s PRO 24 Ca -0.08 -0.19 0.20 0.00 0.04 0.00 0.00 61.00 60.97 1ggw s PRO 24 Cb -0.10 -2.14 1.17 0.00 0.04 0.00 0.00 34.50 33.47 1ggw s PRO 24 CO -0.06 -1.27 1.69 1.57 0.04 0.00 0.00 177.00 178.96 1ggw h LYS 25 N -0.65 0.29 -0.57 4.56 2.10 -1.91 0.26 116.57 120.65 1ggw h LYS 25 Ca -0.45 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1ggw h LYS 25 Cb 1.32 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.55 1ggw h LYS 25 CO 0.61 0.19 0.35 1.79 -2.00 0.00 0.00 179.45 180.39 1ggw h THR 26 N 0.29 1.17 0.07 0.07 1.35 -1.96 -1.94 112.91 111.95 1ggw h THR 26 Ca 0.71 -0.37 -0.00 0.00 -0.55 0.00 0.00 66.41 66.20 1ggw h THR 26 Cb 1.85 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1ggw h THR 26 CO -0.46 0.17 -0.03 -1.28 -0.25 0.00 0.00 175.52 173.67 1ggw h SER 27 N 0.77 -0.07 -0.92 5.36 0.87 -0.86 -3.17 113.55 115.52 1ggw h SER 27 Ca 0.20 -0.35 0.16 0.00 -1.23 0.00 0.00 61.79 60.57 1ggw h SER 27 Cb -0.02 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 1ggw h SER 27 CO -0.04 0.33 0.59 0.40 -0.53 0.00 0.00 176.83 177.58 1ggw h ILE 28 N -0.49 0.78 0.00 2.23 1.08 -1.24 0.78 117.51 120.66 1ggw h ILE 28 Ca -0.01 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1ggw h ILE 28 Cb 0.42 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1ggw h ILE 28 CO 0.01 0.12 0.00 0.61 -0.69 0.00 0.00 178.15 178.21 1ggw n GLY 29 N -1.43 -2.68 0.26 5.37 0.00 -0.74 -0.29 105.19 105.68 1ggw n GLY 29 Ca 0.19 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.12 1.61 3.04 -1.59 -2.62 116.42 116.74 1ggw h ASP 30 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 1ggw h ASP 30 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1ggw h ASP 30 CO 0.00 0.11 0.03 0.25 -2.04 0.00 0.00 179.24 177.59 1ggw h LEU 31 N 0.00 0.18 -1.87 0.15 5.85 -0.61 -2.72 115.31 116.30 1ggw h LEU 31 Ca -0.00 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1ggw h LEU 31 Cb 0.27 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ggw h LEU 31 CO 0.01 0.37 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.34 1ggw h LEU 32 N -0.01 0.00 -0.90 2.25 3.38 -0.28 -2.47 115.31 117.28 1ggw h LEU 32 Ca 0.04 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.13 1ggw h LEU 32 Cb 0.26 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 1ggw h LEU 32 CO 0.00 0.08 0.52 -0.09 0.09 0.00 0.00 178.44 179.04 1ggw h ARG 33 N 0.00 0.79 0.00 1.13 9.65 -0.98 0.48 114.38 125.45 1ggw h ARG 33 Ca -0.00 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.79 1ggw h ARG 33 Cb 0.15 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1ggw h ARG 33 CO 0.01 0.52 -0.19 0.00 2.80 0.00 0.00 179.97 183.11 1ggw h ALA 34 N 1.52 1.49 -0.90 2.80 0.00 -1.48 -2.74 119.26 119.95 1ggw h ALA 34 Ca 0.46 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 54.58 1ggw h ALA 34 Cb 0.51 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 17.94 1ggw h ALA 34 CO -0.29 0.24 0.29 0.00 0.00 0.00 0.00 179.25 179.49 1ggw n GLY 36 N -0.87 0.87 2.24 0.00 0.00 -1.03 -5.00 105.19 101.41 1ggw n GLY 36 Ca 0.56 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1ggw n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ggw n GLN 37 N 0.00 0.63 -4.06 1.61 6.02 -1.23 -4.80 117.38 115.55 1ggw n GLN 37 Ca 0.00 -2.31 -0.33 0.00 -0.01 0.00 0.00 57.00 54.35 1ggw n GLN 37 Cb 0.00 1.35 -0.15 0.00 1.02 0.00 0.00 30.24 32.46 1ggw n GLN 37 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ggw s ASN 38 N -2.67 3.97 0.23 1.08 3.84 -1.26 -1.67 114.94 118.46 1ggw s ASN 38 Ca 0.16 -1.01 0.00 0.00 0.21 0.00 0.00 52.86 52.22 1ggw s ASN 38 Cb 0.01 -1.56 0.00 0.00 -0.55 0.00 0.00 41.25 39.15 1ggw s ASN 38 CO 0.11 -0.11 0.00 -0.81 -2.79 0.00 0.00 177.10 173.50 1ggw n PRO 39 N 4.56 0.90 -3.87 0.43 -0.04 -1.26 -5.04 135.00 130.68 1ggw n PRO 39 Ca -0.17 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.08 1ggw n PRO 39 Cb 0.46 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.08 4.42 0.46 0.52 -4.23 -1.26 -5.00 115.64 110.46 1ggw s THR 40 Ca 0.00 -1.19 0.18 0.00 -1.18 0.00 0.00 61.69 59.50 1ggw s THR 40 Cb 0.00 -3.49 0.36 0.00 1.34 0.00 0.00 72.50 70.71 1ggw s THR 40 CO 0.00 -0.27 1.96 -0.07 -0.54 0.00 0.00 174.62 175.70 1ggw h LEU 41 N 1.22 0.28 -1.26 4.79 -0.00 -1.99 0.46 115.31 118.81 1ggw h LEU 41 Ca -0.48 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1ggw h LEU 41 Cb 1.24 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.82 1ggw h LEU 41 CO 0.59 0.15 0.44 0.00 -0.00 0.00 0.00 178.44 179.61 1ggw h ALA 42 N 1.69 1.45 0.29 1.53 0.00 -1.98 0.93 119.26 123.17 1ggw h ALA 42 Ca 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ggw h ALA 42 Cb 0.80 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ggw h ALA 42 CO -0.07 0.49 -0.14 1.49 0.00 0.00 0.00 179.25 181.01 1ggw h GLU 43 N 0.96 -0.37 -0.22 0.00 4.22 -1.30 -0.26 114.58 117.61 1ggw h GLU 43 Ca 0.25 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.72 1ggw h GLU 43 Cb -0.07 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ggw h GLU 43 CO -0.05 -0.04 0.14 -0.84 -2.18 0.00 0.00 179.01 176.04 1ggw h ILE 44 N -0.75 1.06 -0.90 2.32 -2.65 -1.36 -1.98 117.51 113.24 1ggw h ILE 44 Ca -0.04 -0.13 0.03 0.00 1.03 0.00 0.00 64.86 65.75 1ggw h ILE 44 Cb 0.50 0.75 -0.05 0.00 -2.05 0.00 0.00 36.82 35.97 1ggw h ILE 44 CO 0.06 0.06 0.60 0.74 0.03 0.00 0.00 178.15 179.64 1ggw h THR 45 N 0.29 1.18 -0.82 0.16 2.02 -0.87 -1.45 112.91 113.42 1ggw h THR 45 Ca 0.08 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1ggw h THR 45 Cb -0.02 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.26 1ggw h THR 45 CO -0.02 0.21 0.54 -0.08 0.37 0.00 0.00 175.52 176.55 1ggw h GLU 46 N 1.17 1.06 0.01 6.66 4.57 -0.48 -1.58 114.58 125.98 1ggw h GLU 46 Ca 0.35 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1ggw h GLU 46 Cb -0.04 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.31 1ggw h GLU 46 CO -0.09 0.70 -0.01 0.82 -1.18 0.00 0.00 179.01 179.25 1ggw h ILE 47 N 1.09 1.19 -0.13 2.32 2.04 -0.57 -2.66 117.51 120.79 1ggw h ILE 47 Ca 0.31 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1ggw h ILE 47 Cb -0.09 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1ggw h ILE 47 CO -0.07 0.16 0.18 -0.33 0.00 0.00 0.00 178.15 178.09 1ggw h GLU 48 N -0.28 0.00 0.00 2.37 5.08 -0.92 -1.60 114.58 119.23 1ggw h GLU 48 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ggw h GLU 48 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 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 -3.61 0.00 -0.02 1.42 3.41 -0.64 -3.31 113.62 110.88 1ggw n SER 49 Ca 0.00 0.31 -0.03 0.00 -0.26 0.00 0.00 58.87 58.89 1ggw n SER 49 Cb 0.28 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.37 0.17 -3.30 6.66 -2.24 -0.61 -5.06 114.28 108.53 1ggw n THR 50 Ca 0.03 -0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.50 1ggw n THR 50 Cb 0.06 -0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 67.34 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 -5.53 3.99 0.60 3.22 2.01 -1.19 -5.05 118.68 116.73 1ggw s LEU 51 Ca -0.04 0.54 -0.18 0.00 0.01 0.00 0.00 54.13 54.46 1ggw s LEU 51 Cb 0.01 -3.40 -0.13 0.00 0.01 0.00 0.00 46.19 42.68 1ggw s LEU 51 CO 0.06 -0.30 -0.02 -2.65 1.01 0.00 0.00 176.35 174.45 1ggw n PRO 52 N -1.66 0.12 -0.13 1.29 -0.02 -1.26 -4.72 135.00 128.62 1ggw n PRO 52 Ca -0.04 0.05 -0.03 0.00 -2.02 0.00 0.00 63.50 61.46 1ggw n PRO 52 Cb 0.56 -1.21 -0.03 0.00 -0.02 0.00 0.00 33.50 32.79 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 -1.76 -0.20 -2.67 3.55 0.00 -1.26 -4.02 120.51 114.15 1ggw n ALA 53 Ca 0.08 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.38 1ggw n ALA 53 Cb 0.49 0.11 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.16 4.27 -0.99 0.00 2.02 -1.26 -4.90 118.70 113.67 1ggw s GLU 54 Ca -0.04 0.76 -0.19 0.00 0.02 0.00 0.00 54.97 55.52 1ggw s GLU 54 Cb 0.03 -3.56 0.11 0.00 0.10 0.00 0.00 34.13 30.82 1ggw s GLU 54 CO 0.20 -0.22 1.26 0.08 0.02 0.00 0.00 175.26 176.59 1ggw s VAL 55 N 1.83 4.51 0.90 2.63 1.01 -0.92 -4.79 120.40 125.58 1ggw s VAL 55 Ca 0.32 -1.45 -0.13 0.00 0.00 0.00 0.00 61.98 60.73 1ggw s VAL 55 Cb -0.16 -4.88 0.18 0.00 0.00 0.00 0.00 36.38 31.51 1ggw s VAL 55 CO 0.12 -1.65 1.25 1.51 0.00 0.00 0.00 175.10 176.32 1ggw s ASP 56 N 3.96 3.47 0.31 3.32 1.47 -1.26 -1.90 116.67 126.04 1ggw s ASP 56 Ca 0.38 0.20 0.04 0.00 1.18 0.00 0.00 52.55 54.34 1ggw s ASP 56 Cb -0.03 -0.34 0.81 0.00 -0.34 0.00 0.00 42.92 43.01 1ggw s ASP 56 CO -0.08 -2.50 1.59 0.24 0.68 0.00 0.00 175.17 175.10 1ggw h MET 57 N -1.38 0.04 0.09 2.11 2.86 -1.94 0.48 114.93 117.19 1ggw h MET 57 Ca -0.43 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1ggw h MET 57 Cb 1.25 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1ggw h MET 57 CO 0.41 0.03 -0.04 1.49 1.06 0.00 0.00 176.91 179.85 1ggw h GLU 58 N 0.04 -0.12 -0.04 1.72 4.81 -1.91 -1.43 114.58 117.65 1ggw h GLU 58 Ca 0.61 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.88 1ggw h GLU 58 Cb 1.32 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 1ggw h GLU 58 CO -0.85 0.22 -0.11 1.96 -0.73 0.00 0.00 179.01 179.50 1ggw h GLN 59 N -0.47 -0.16 -0.01 1.92 7.50 -1.36 0.29 115.11 122.81 1ggw h GLN 59 Ca -0.01 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ggw h GLN 59 Cb 0.39 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.96 1ggw h GLN 59 CO 0.02 -0.11 0.01 0.35 -1.50 0.00 0.00 178.83 177.60 1ggw h PHE 60 N -0.17 0.02 -0.08 2.96 3.57 -1.07 -2.59 116.94 119.59 1ggw h PHE 60 Ca 0.05 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1ggw h PHE 60 Cb 0.24 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1ggw h PHE 60 CO -0.19 0.13 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.92 1ggw h LEU 61 N -0.09 0.10 -0.16 0.59 3.38 -1.11 0.21 115.31 118.23 1ggw h LEU 61 Ca 0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ggw h LEU 61 Cb 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ggw h LEU 61 CO -0.00 0.16 0.06 -0.61 0.09 0.00 0.00 178.44 178.13 1ggw h GLN 62 N 0.11 0.24 -0.03 1.13 4.15 -0.05 0.31 115.11 120.98 1ggw h GLN 62 Ca 0.03 -0.05 -0.26 0.00 0.77 0.00 0.00 58.65 59.14 1ggw h GLN 62 Cb 0.13 -0.04 0.02 0.00 0.21 0.00 0.00 27.48 27.81 1ggw h GLN 62 CO 0.01 0.34 -1.00 -0.39 -1.93 0.00 0.00 178.83 175.86 1ggw h VAL 63 N 0.09 1.28 -0.47 2.39 -1.51 -1.19 -2.50 116.25 114.34 1ggw h VAL 63 Ca 0.05 -2.20 -0.10 0.00 -1.23 0.00 0.00 66.70 63.22 1ggw h VAL 63 Cb 0.20 2.31 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 1ggw h VAL 63 CO -0.00 0.68 -0.08 0.25 -1.23 0.00 0.00 177.57 177.19 1ggw h LEU 64 N 0.42 0.89 -4.37 4.19 5.85 -0.95 -3.20 115.31 118.14 1ggw h LEU 64 Ca -0.12 -0.35 -0.65 0.00 0.84 0.00 0.00 57.88 57.60 1ggw h LEU 64 Cb 1.65 -0.24 -0.35 0.00 0.37 0.00 0.00 40.66 42.09 1ggw h LEU 64 CO 0.20 1.03 0.14 0.59 -0.34 0.00 0.00 178.44 180.05 1ggw n ASN 65 N -4.27 6.27 0.19 1.25 3.02 0.11 -4.63 115.26 117.21 1ggw n ASN 65 Ca 0.00 -3.78 -0.15 0.00 -0.03 0.00 0.00 54.58 50.63 1ggw n ASN 65 Cb 0.37 -0.73 -0.08 0.00 -0.61 0.00 0.00 39.78 38.73 1ggw n ASN 65 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1ggw h ARG 66 N 2.48 -0.40 -0.82 3.52 2.43 -1.44 -2.75 114.38 117.40 1ggw h ARG 66 Ca 0.47 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1ggw h ARG 66 Cb 0.77 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1ggw h ARG 66 CO 1.17 -0.26 0.00 -0.35 -1.51 0.00 0.00 179.97 179.02 1ggw n PRO 67 N -5.27 2.38 -2.87 0.20 -0.04 -1.26 -4.94 135.00 123.20 1ggw n PRO 67 Ca -0.10 -1.13 -0.08 0.00 -0.04 0.00 0.00 63.50 62.15 1ggw n PRO 67 Cb 0.18 -1.75 0.01 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.23 -7.83 0.00 3.54 2.85 -1.04 -4.99 115.26 108.02 1ggw n ASN 68 Ca 0.10 0.67 0.00 0.00 -0.11 0.00 0.00 54.58 55.24 1ggw n ASN 68 Cb 0.58 -5.14 0.00 0.00 1.24 0.00 0.00 39.78 36.45 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ggw n GLY 69 N -0.09 0.02 3.45 8.20 0.00 -1.26 -5.12 105.19 110.38 1ggw n GLY 69 Ca 0.08 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 1ggw n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ggw s PHE 70 N -2.28 1.99 -0.95 1.61 0.08 -1.26 -4.58 117.98 112.59 1ggw s PHE 70 Ca 0.00 -0.79 -0.08 0.00 0.12 0.00 0.00 56.93 56.17 1ggw s PHE 70 Cb 0.00 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 1ggw s PHE 70 CO 0.00 0.19 0.77 -3.47 -0.10 0.00 0.00 175.22 172.61 1ggw n ASP 71 N -0.65 -6.37 0.00 1.36 -0.08 -1.26 -4.74 116.55 104.81 1ggw n ASP 71 Ca -0.04 -0.64 0.00 0.00 -1.51 0.00 0.00 54.79 52.60 1ggw n ASP 71 Cb 0.65 -4.19 0.00 0.00 2.34 0.00 0.00 41.12 39.92 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 1ggw n MET 72 N -2.98 0.00 -0.31 -0.67 1.56 -1.26 -5.02 117.12 108.43 1ggw n MET 72 Ca -0.09 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.32 1ggw n MET 72 Cb 0.58 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.98 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 -1.85 -3.43 132.00 128.89 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 31.12 1ggw h PRO 73 CO 0.00 -0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.16 1ggw n GLY 74 N -1.46 -1.81 3.89 -0.55 0.00 -1.26 -4.99 105.19 99.01 1ggw n GLY 74 Ca 0.08 0.60 -0.29 0.00 0.00 0.00 0.00 46.02 46.41 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 4.87 0.34 1.61 1.01 -1.26 -4.85 116.67 118.39 1ggw s ASP 75 Ca 0.00 0.94 0.10 0.00 0.71 0.00 0.00 52.55 54.30 1ggw s ASP 75 Cb 0.00 -1.57 0.85 0.00 1.01 0.00 0.00 42.92 43.21 1ggw s ASP 75 CO 0.00 -1.69 1.81 -0.65 0.21 0.00 0.00 175.17 174.85 1ggw h PRO 76 N -0.90 0.64 -0.30 8.23 0.11 -1.98 0.73 132.00 138.52 1ggw h PRO 76 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1ggw h PRO 76 Cb 1.30 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1ggw h PRO 76 CO 0.65 0.42 0.01 1.05 -0.21 0.00 0.00 178.00 179.92 1ggw h GLU 77 N 0.66 0.45 -0.11 1.05 4.11 -1.99 -2.04 114.58 116.70 1ggw h GLU 77 Ca 0.54 -0.08 -0.05 0.00 0.07 0.00 0.00 59.36 59.84 1ggw h GLU 77 Cb 0.97 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1ggw h GLU 77 CO -0.30 0.47 -0.11 0.93 0.07 0.00 0.00 179.01 180.06 1ggw h GLU 78 N 0.44 0.27 -0.74 1.06 4.39 -1.21 -2.01 114.58 116.77 1ggw h GLU 78 Ca 0.10 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1ggw h GLU 78 Cb 0.27 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1ggw h GLU 78 CO 0.01 0.68 0.35 0.27 -1.16 0.00 0.00 179.01 179.16 1ggw h PHE 79 N -0.14 1.08 -0.11 4.33 -5.15 -1.32 -1.59 116.94 114.03 1ggw h PHE 79 Ca 0.02 -0.06 -0.01 0.00 -0.20 0.00 0.00 57.97 57.72 1ggw h PHE 79 Cb 0.64 -0.33 -0.00 0.00 0.22 0.00 0.00 35.95 36.47 1ggw h PHE 79 CO 0.09 0.79 0.03 0.28 -2.00 0.00 0.00 178.31 177.50 1ggw h VAL 80 N 1.04 1.20 -0.10 0.88 2.07 -1.40 -2.57 116.25 117.37 1ggw h VAL 80 Ca 0.25 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1ggw h VAL 80 Cb 0.13 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1ggw h VAL 80 CO -0.03 0.18 0.03 0.50 0.02 0.00 0.00 177.57 178.27 1ggw h LYS 81 N -0.02 0.14 0.32 1.57 1.63 -1.22 -0.36 116.57 118.62 1ggw h LYS 81 Ca 0.04 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1ggw h LYS 81 Cb 0.26 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1ggw h LYS 81 CO 0.00 0.13 -0.15 0.78 -3.45 0.00 0.00 179.45 176.76 1ggw h GLY 82 N 0.25 -0.45 0.98 5.01 0.00 -1.08 -3.30 103.07 104.48 1ggw h GLY 82 Ca 0.04 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1ggw h GLY 82 CO -0.00 -0.16 0.24 0.74 0.00 0.00 0.00 176.54 177.36 1ggw h PHE 83 N -0.89 0.79 0.00 5.60 -1.00 -1.36 -3.27 116.94 116.80 1ggw h PHE 83 Ca -0.04 -0.05 -0.70 0.00 2.81 0.00 0.00 57.97 59.99 1ggw h PHE 83 Cb 0.52 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 1ggw h PHE 83 CO 0.04 0.62 3.11 1.04 -1.61 0.00 0.00 178.31 181.51 1ggw n GLN 84 N -4.56 2.78 -0.01 1.51 1.13 -0.15 -4.22 117.38 113.85 1ggw n GLN 84 Ca 0.02 -2.49 -0.02 0.00 -1.94 0.00 0.00 57.00 52.58 1ggw n GLN 84 Cb 0.13 -3.21 -0.01 0.00 0.11 0.00 0.00 30.24 27.26 1ggw n GLN 84 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1ggw n VAL 85 N 5.06 0.14 -1.32 5.09 3.14 -1.24 -4.81 118.33 124.40 1ggw n VAL 85 Ca 0.54 -0.04 0.07 0.00 -2.96 0.00 0.00 64.34 61.94 1ggw n VAL 85 Cb 0.38 -1.10 0.09 0.00 -1.06 0.00 0.00 33.84 32.15 1ggw n VAL 85 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 1ggw n PHE 86 N -2.87 0.00 -3.34 1.45 7.35 -1.26 -4.90 117.46 113.89 1ggw n PHE 86 Ca -0.05 -0.69 -0.25 0.00 -0.76 0.00 0.00 57.45 55.70 1ggw n PHE 86 Cb 0.54 -0.12 -0.09 0.00 0.35 0.00 0.00 39.48 40.16 1ggw n PHE 86 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 1ggw s ASP 87 N -2.26 1.22 0.10 -2.13 -4.77 -1.26 -4.99 116.67 102.57 1ggw s ASP 87 Ca 0.22 -2.91 -0.30 0.00 -3.30 0.00 0.00 52.55 46.26 1ggw s ASP 87 Cb 0.19 -0.23 -0.13 0.00 -1.09 0.00 0.00 42.92 41.66 1ggw s ASP 87 CO 0.02 -0.17 1.63 0.11 0.70 0.00 0.00 175.17 177.47 1ggw h LYS 88 N 5.65 -0.61 0.00 2.11 6.56 -1.93 -3.34 116.57 125.01 1ggw h LYS 88 Ca 0.24 0.04 -0.38 0.00 -1.06 0.00 0.00 60.65 59.49 1ggw h LYS 88 Cb 0.93 0.14 -0.07 0.00 -0.57 0.00 0.00 32.23 32.66 1ggw h LYS 88 CO 0.33 -0.41 -2.42 -3.47 -2.06 0.00 0.00 179.45 171.42 1ggw n ASP 89 N -5.41 1.10 -2.96 0.86 2.03 -1.26 -5.05 116.55 105.85 1ggw n ASP 89 Ca -0.09 -0.07 -0.06 0.00 0.52 0.00 0.00 54.79 55.09 1ggw n ASP 89 Cb 0.32 0.20 0.03 0.00 -0.72 0.00 0.00 41.12 40.95 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 -3.02 -2.34 -0.08 -1.67 0.00 -1.25 -4.95 120.51 107.20 1ggw n ALA 90 Ca -0.40 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.00 1ggw n ALA 90 Cb 1.07 -2.99 0.05 0.00 0.00 0.00 0.00 19.45 17.58 1ggw n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ggw h THR 91 N -0.17 1.28 0.00 0.00 1.03 -1.97 -3.43 112.91 109.65 1ggw h THR 91 Ca -0.23 -1.50 0.00 0.00 -0.01 0.00 0.00 66.41 64.67 1ggw h THR 91 Cb 1.12 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 69.58 1ggw h THR 91 CO 0.32 0.49 0.00 0.61 -0.01 0.00 0.00 175.52 176.93 1ggw n GLY 92 N -0.02 -1.87 3.64 2.99 0.00 -1.26 -5.16 105.19 103.52 1ggw n GLY 92 Ca -0.01 0.90 -0.00 0.00 0.00 0.00 0.00 46.02 46.91 1ggw n GLY 92 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 93 N 0.00 0.23 -0.22 1.61 0.00 -1.26 -4.52 119.30 115.13 1ggw s MET 93 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 55.69 56.02 1ggw s MET 93 Cb 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 34.83 34.76 1ggw s MET 93 CO 0.00 -0.05 -0.25 1.51 0.00 0.00 0.00 175.02 176.23 1ggw n ILE 94 N 3.45 1.23 -2.94 10.11 0.00 -1.26 -4.83 119.36 125.11 1ggw n ILE 94 Ca -0.18 -0.38 -0.12 0.00 0.00 0.00 0.00 62.75 62.07 1ggw n ILE 94 Cb 0.57 -1.58 0.01 0.00 0.00 0.00 0.00 39.64 38.65 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 1.96 -1.17 0.43 4.50 0.00 -1.24 -4.55 105.19 105.12 1ggw n GLY 95 Ca -0.42 1.23 0.32 0.00 0.00 0.00 0.00 46.02 47.15 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 2.04 0.24 -1.01 1.61 2.07 0.18 0.89 116.25 122.28 1ggw h VAL 96 Ca -0.08 -0.06 0.27 0.00 0.82 0.00 0.00 66.70 67.64 1ggw h VAL 96 Cb 1.04 0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.71 1ggw h VAL 96 CO 0.20 0.03 0.59 1.23 0.02 0.00 0.00 177.57 179.65 1ggw h GLY 97 N 0.19 1.94 0.60 2.17 0.00 -1.14 0.78 103.07 107.61 1ggw h GLY 97 Ca 0.75 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 47.61 1ggw h GLY 97 CO -0.42 -0.32 -0.82 0.83 0.00 0.00 0.00 176.54 175.81 1ggw h GLU 98 N 0.50 0.26 -0.95 4.80 4.39 -1.10 -2.44 114.58 120.05 1ggw h GLU 98 Ca 0.67 -0.45 0.01 0.00 0.34 0.00 0.00 59.36 59.93 1ggw h GLU 98 Cb 1.37 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 30.14 1ggw h GLU 98 CO -0.51 1.21 0.62 1.37 -1.16 0.00 0.00 179.01 180.54 1ggw h LEU 99 N -0.43 1.10 -0.19 1.33 8.10 -1.11 -2.50 115.31 121.61 1ggw h LEU 99 Ca -0.15 -0.04 -0.18 0.00 0.11 0.00 0.00 57.88 57.62 1ggw h LEU 99 Cb 1.60 -0.27 0.01 0.00 -0.44 0.00 0.00 40.66 41.55 1ggw h LEU 99 CO 0.12 0.80 -0.59 0.08 -4.11 0.00 0.00 178.44 174.74 1ggw h ARG 100 N 1.29 0.74 -0.99 0.17 0.11 0.41 -2.65 114.38 113.45 1ggw h ARG 100 Ca 0.35 -0.54 0.17 0.00 0.10 0.00 0.00 59.98 60.06 1ggw h ARG 100 Cb -0.13 0.09 -0.10 0.00 1.11 0.00 0.00 29.97 30.94 1ggw h ARG 100 CO -0.07 1.16 0.62 -0.92 0.10 0.00 0.00 179.97 180.85 1ggw h TYR 101 N 0.45 1.05 -0.01 4.08 3.20 -1.08 0.78 116.97 125.44 1ggw h TYR 101 Ca -0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1ggw h TYR 101 Cb 1.22 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1ggw h TYR 101 CO 0.09 0.29 -0.03 0.28 -1.64 0.00 0.00 178.16 177.15 1ggw h VAL 102 N 0.80 1.52 -0.41 1.81 2.07 -1.44 -3.05 116.25 117.55 1ggw h VAL 102 Ca 0.54 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 1ggw h VAL 102 Cb 0.80 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 1ggw h VAL 102 CO -0.33 0.41 0.11 -0.07 0.02 0.00 0.00 177.57 177.71 1ggw h LEU 103 N -0.61 0.62 -0.93 2.57 3.38 -1.01 -2.20 115.31 117.13 1ggw h LEU 103 Ca -0.00 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1ggw h LEU 103 Cb 0.69 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1ggw h LEU 103 CO 0.01 0.69 0.60 0.71 0.09 0.00 0.00 178.44 180.53 1ggw h THR 104 N 0.53 1.10 0.00 0.22 1.35 0.44 -0.92 112.91 115.64 1ggw h THR 104 Ca 0.13 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1ggw h THR 104 Cb 0.30 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 1ggw h THR 104 CO 0.00 0.20 0.00 -0.24 -0.25 0.00 0.00 175.52 175.23 1ggw n SER 105 N -4.53 0.37 0.26 5.36 2.88 -1.15 -3.27 113.62 113.54 1ggw n SER 105 Ca 0.13 0.54 -0.11 0.00 -1.33 0.00 0.00 58.87 58.10 1ggw n SER 105 Cb 0.14 -0.64 -0.05 0.00 -0.75 0.00 0.00 64.21 62.91 1ggw n SER 105 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ggw h LEU 106 N 0.00 -0.60 -5.00 2.46 6.46 -0.51 -3.46 115.31 114.66 1ggw h LEU 106 Ca 0.00 0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.67 1ggw h LEU 106 Cb 0.56 0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 40.54 1ggw h LEU 106 CO 0.00 -0.26 0.05 0.61 -0.62 0.00 0.00 178.44 178.22 1ggw n GLY 107 N -0.22 -1.11 3.52 3.75 0.00 -1.21 -4.97 105.19 104.94 1ggw n GLY 107 Ca -0.09 0.60 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 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 0.25 -7.63 0.00 1.61 1.02 -1.20 -5.01 120.64 109.68 1ggw n GLU 108 Ca -0.09 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1ggw n GLU 108 Cb 0.73 -5.82 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 1ggw n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ggw n LYS 109 N -4.87 2.72 -1.97 3.49 4.76 -1.21 -4.63 118.16 116.46 1ggw n LYS 109 Ca -0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1ggw n LYS 109 Cb 0.56 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.68 1ggw n LYS 109 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ggw n LEU 110 N 0.00 2.88 0.00 -0.35 4.77 -1.26 -4.85 117.00 118.18 1ggw n LEU 110 Ca 0.00 -3.08 -0.01 0.00 -0.03 0.00 0.00 56.01 52.89 1ggw n LEU 110 Cb 0.00 -1.72 0.01 0.00 -2.33 0.00 0.00 43.42 39.38 1ggw n LEU 110 CO 0.00 -2.02 0.01 -1.54 -1.33 0.00 0.00 177.39 172.51 1ggw n SER 111 N 14.89 -1.52 -0.27 -1.43 3.41 -1.26 -4.54 113.62 122.89 1ggw n SER 111 Ca 0.45 -0.27 0.14 0.00 -0.26 0.00 0.00 58.87 58.92 1ggw n SER 111 Cb 0.46 -0.02 0.40 0.00 -0.26 0.00 0.00 64.21 64.80 1ggw n SER 111 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1ggw h ASN 112 N -1.53 0.61 0.13 4.04 2.35 -1.97 -2.29 115.58 116.92 1ggw h ASN 112 Ca -0.01 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1ggw h ASN 112 Cb 0.03 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1ggw h ASN 112 CO 0.01 0.29 -0.06 -0.08 -1.65 0.00 0.00 177.43 175.93 1ggw h GLU 113 N 0.63 -0.16 0.19 0.81 4.57 -1.97 0.63 114.58 119.28 1ggw h GLU 113 Ca 0.46 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.66 1ggw h GLU 113 Cb 0.83 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 1ggw h GLU 113 CO -0.21 -0.11 -0.20 1.49 -1.18 0.00 0.00 179.01 178.80 1ggw h GLU 114 N -0.17 -0.42 0.00 1.92 4.57 -1.71 -2.07 114.58 116.70 1ggw h GLU 114 Ca -0.02 0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1ggw h GLU 114 Cb 0.13 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1ggw h GLU 114 CO 0.03 -0.28 -0.22 0.00 -1.18 0.00 0.00 179.01 177.36 1ggw h MET 115 N -0.43 0.00 -0.27 1.92 -0.00 -1.43 -2.74 114.93 111.97 1ggw h MET 115 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.72 1ggw h MET 115 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.99 1ggw h MET 115 CO -0.06 0.22 0.13 -0.44 -0.00 0.00 0.00 176.91 176.76 1ggw h ASP 116 N 0.00 0.19 -0.30 -0.10 3.32 0.97 0.25 116.42 120.75 1ggw h ASP 116 Ca -0.00 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 1ggw h ASP 116 Cb 0.54 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1ggw h ASP 116 CO 0.03 0.15 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.16 1ggw h GLU 117 N 0.28 0.67 -0.73 3.56 5.08 -1.33 -0.95 114.58 121.16 1ggw h GLU 117 Ca 0.11 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1ggw h GLU 117 Cb 0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1ggw h GLU 117 CO -0.08 0.92 0.47 1.37 -1.00 0.00 0.00 179.01 180.69 1ggw h LEU 118 N 0.42 0.85 -0.74 1.33 8.10 -1.23 -2.20 115.31 121.83 1ggw h LEU 118 Ca 0.06 -0.03 -0.13 0.00 0.11 0.00 0.00 57.88 57.88 1ggw h LEU 118 Cb 0.75 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 40.74 1ggw h LEU 118 CO 0.06 0.63 -0.61 -0.07 -4.11 0.00 0.00 178.44 174.33 1ggw h LEU 119 N 0.99 0.07 -0.82 0.17 3.38 -0.46 -2.80 115.31 115.83 1ggw h LEU 119 Ca 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1ggw h LEU 119 Cb -0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1ggw h LEU 119 CO -0.05 0.66 0.48 0.50 0.09 0.00 0.00 178.44 180.12 1ggw h LYS 120 N 0.04 1.13 -0.03 1.13 3.64 -0.56 -3.14 116.57 118.78 1ggw h LYS 120 Ca -0.01 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1ggw h LYS 120 Cb 1.09 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1ggw h LYS 120 CO 0.08 0.81 -0.14 0.78 -2.27 0.00 0.00 179.45 178.72 1ggw h GLY 121 N 1.13 0.16 -5.98 5.01 0.00 -1.41 -3.43 103.07 98.55 1ggw h GLY 121 Ca 0.29 -0.23 -0.60 0.00 0.00 0.00 0.00 47.33 46.80 1ggw h GLY 121 CO -0.05 0.20 0.51 0.14 0.00 0.00 0.00 176.54 177.34 1ggw s VAL 122 N -3.61 4.75 -1.24 4.60 1.01 -1.06 -4.96 120.40 119.89 1ggw s VAL 122 Ca -0.16 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.13 1ggw s VAL 122 Cb 0.02 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 1ggw s VAL 122 CO 0.72 -0.23 2.38 -0.81 0.00 0.00 0.00 175.10 177.15 1ggw n PRO 123 N 6.26 2.67 -3.61 2.72 -0.04 -1.26 -4.74 135.00 137.00 1ggw n PRO 123 Ca 0.06 -2.01 -0.17 0.00 -0.04 0.00 0.00 63.50 61.34 1ggw n PRO 123 Cb 0.48 -2.83 -0.05 0.00 -0.04 0.00 0.00 33.50 31.06 1ggw n PRO 123 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ggw n VAL 124 N 4.51 0.00 -5.15 0.52 0.24 -1.26 -5.13 118.33 112.06 1ggw n VAL 124 Ca 0.58 -1.61 -0.32 0.00 -2.04 0.00 0.00 64.34 60.95 1ggw n VAL 124 Cb 0.27 0.59 -0.16 0.00 -1.47 0.00 0.00 33.84 33.07 1ggw n VAL 124 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ggw s LYS 125 N -3.04 2.89 -0.69 7.34 -0.14 -1.26 -4.59 119.74 120.25 1ggw s LYS 125 Ca 0.15 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 1ggw s LYS 125 Cb 0.01 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.85 1ggw s LYS 125 CO 0.10 0.28 0.00 -0.25 -0.76 0.00 0.00 175.35 174.73 1ggw n ASP 126 N 3.24 -4.80 -3.03 2.83 8.00 -1.26 -3.19 116.55 118.35 1ggw n ASP 126 Ca -0.18 0.16 -0.14 0.00 0.71 0.00 0.00 54.79 55.34 1ggw n ASP 126 Cb 0.53 -2.87 0.08 0.00 -0.02 0.00 0.00 41.12 38.83 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ggw n GLY 127 N -0.84 -0.23 3.51 0.44 0.00 -1.26 -0.06 105.19 106.75 1ggw n GLY 127 Ca -0.06 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.15 3.79 0.00 1.61 0.00 -1.19 -0.69 119.30 117.67 1ggw s MET 128 Ca 0.01 -0.41 0.09 0.00 0.00 0.00 0.00 55.69 55.38 1ggw s MET 128 Cb -0.00 -3.47 0.15 0.00 0.00 0.00 0.00 34.83 31.51 1ggw s MET 128 CO 0.61 -0.18 1.03 0.28 0.00 0.00 0.00 175.02 176.76 1ggw n VAL 129 N 4.95 0.00 -1.98 10.11 0.31 -1.26 -4.75 118.33 125.71 1ggw n VAL 129 Ca -0.15 -0.36 -0.20 0.00 -0.01 0.00 0.00 64.34 63.62 1ggw n VAL 129 Cb 0.52 0.64 -0.05 0.00 -0.91 0.00 0.00 33.84 34.04 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 0.18 -5.58 -4.21 4.52 2.85 -1.26 -2.56 115.26 109.18 1ggw n ASN 130 Ca 0.01 0.24 -0.35 0.00 -0.11 0.00 0.00 54.58 54.37 1ggw n ASN 130 Cb 0.85 -4.73 -0.03 0.00 1.24 0.00 0.00 39.78 37.10 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 -3.20 -1.66 -0.02 1.20 9.36 -1.26 -4.57 117.16 117.00 1ggw n TYR 131 Ca -0.22 0.77 -0.06 0.00 3.32 0.00 0.00 57.90 61.71 1ggw n TYR 131 Cb 0.67 -2.99 -0.02 0.00 -0.63 0.00 0.00 39.34 36.38 1ggw n TYR 131 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1ggw n HIS 132 N -4.38 0.00 -0.28 2.98 8.25 -1.06 -4.42 115.22 116.31 1ggw n HIS 132 Ca -0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1ggw n HIS 132 Cb 0.53 -0.21 0.26 0.00 1.12 0.00 0.00 29.99 31.69 1ggw n HIS 132 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1ggw h ASP 133 N -0.23 0.87 0.38 0.41 3.58 -1.89 0.48 116.42 120.03 1ggw h ASP 133 Ca -0.14 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 1ggw h ASP 133 Cb 1.01 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1ggw h ASP 133 CO -0.08 0.55 -0.18 -0.26 -2.88 0.00 0.00 179.24 176.39 1ggw h PHE 134 N 0.98 -0.48 -0.39 0.28 0.04 -1.90 -1.92 116.94 113.55 1ggw h PHE 134 Ca 0.38 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.11 1ggw h PHE 134 Cb 0.22 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1ggw h PHE 134 CO -0.00 -0.15 0.11 0.28 -0.60 0.00 0.00 178.31 177.95 1ggw h VAL 135 N -0.95 1.17 0.31 -0.55 2.07 -1.74 -0.93 116.25 115.64 1ggw h VAL 135 Ca -0.05 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1ggw h VAL 135 Cb 0.54 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1ggw h VAL 135 CO 0.09 0.22 -0.15 -0.61 0.02 0.00 0.00 177.57 177.14 1ggw h GLN 136 N 0.56 -0.41 -0.38 1.57 5.75 -0.07 0.25 115.11 122.40 1ggw h GLN 136 Ca 0.13 0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.63 1ggw h GLN 136 Cb 0.20 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1ggw h GLN 136 CO -0.01 -0.14 0.10 1.98 -2.65 0.00 0.00 178.83 178.11 1ggw h MET 137 N -0.63 0.55 -0.36 1.69 4.05 -1.23 -2.60 114.93 116.39 1ggw h MET 137 Ca -0.04 -0.09 -0.16 0.00 -0.28 0.00 0.00 59.70 59.13 1ggw h MET 137 Cb 0.45 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1ggw h MET 137 CO 0.07 0.50 -0.39 0.82 0.23 0.00 0.00 176.91 178.14 1ggw h ILE 138 N 0.54 1.28 -1.32 1.77 2.04 -1.05 -3.21 117.51 117.56 1ggw h ILE 138 Ca 0.13 -1.56 -0.59 0.00 1.00 0.00 0.00 64.86 63.84 1ggw h ILE 138 Cb 0.20 1.40 -0.20 0.00 -0.74 0.00 0.00 36.82 37.48 1ggw h ILE 138 CO -0.00 0.52 0.70 0.18 0.00 0.00 0.00 178.15 179.54 1ggw n LEU 139 N -4.05 6.84 -1.61 1.44 4.32 0.07 -4.12 117.00 119.89 1ggw n LEU 139 Ca -0.02 -4.33 -0.03 0.00 -0.02 0.00 0.00 56.01 51.61 1ggw n LEU 139 Cb 0.54 -1.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.14 1ggw n LEU 139 CO 0.48 1.77 0.31 0.00 -1.22 0.00 0.00 177.39 178.73 1ggw n ALA 140 N 0.58 3.18 -1.66 -1.18 0.00 -1.21 -4.94 120.51 115.28 1ggw n ALA 140 Ca 0.51 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1ggw n ALA 140 Cb 0.45 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1ggw n ALA 140 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77