#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 1.39 -3.28 0.44 5.66 -1.26 -4.95 114.28 112.28 1ggw n THR 3 Ca 0.00 -3.51 -0.15 0.00 -3.05 0.00 0.00 64.05 57.34 1ggw n THR 3 Cb 0.00 0.23 0.08 0.00 -1.55 0.00 0.00 70.33 69.09 1ggw n THR 3 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ggw n ASP 4 N -0.24 -2.76 -4.59 1.09 2.03 -1.26 -4.86 116.55 105.97 1ggw n ASP 4 Ca 0.17 -0.58 -0.47 0.00 0.52 0.00 0.00 54.79 54.42 1ggw n ASP 4 Cb 0.79 -4.77 -0.05 0.00 -0.72 0.00 0.00 41.12 36.37 1ggw n ASP 4 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ggw n ASP 5 N -2.98 3.06 -0.09 1.67 8.00 -1.26 -4.79 116.55 120.15 1ggw n ASP 5 Ca -0.23 0.59 -0.11 0.00 0.71 0.00 0.00 54.79 55.75 1ggw n ASP 5 Cb 0.65 -1.40 -0.04 0.00 -0.02 0.00 0.00 41.12 40.31 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 11.89 0.43 1.51 -2.24 0.87 -1.95 0.47 113.55 124.53 1ggw h SER 6 Ca -0.40 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 1ggw h SER 6 Cb 1.28 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1ggw h SER 6 CO 0.97 0.58 -0.01 1.55 -0.53 0.00 0.00 176.83 179.39 1ggw h PRO 7 N 0.25 0.00 0.00 2.24 0.13 -1.95 0.13 132.00 132.81 1ggw h PRO 7 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1ggw h PRO 7 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1ggw h PRO 7 CO 0.01 0.00 -0.47 0.66 -0.23 0.00 0.00 178.00 177.96 1ggw n TYR 8 N -2.33 0.00 0.15 1.56 4.01 -1.18 -4.41 117.16 114.96 1ggw n TYR 8 Ca 0.05 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.72 1ggw n TYR 8 Cb 0.44 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.47 -0.44 -0.29 -0.72 3.64 -0.45 -1.68 116.57 116.16 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 0.47 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1ggw h LYS 9 CO 0.00 -0.29 0.16 0.37 -2.27 0.00 0.00 179.45 177.41 1ggw h GLN 10 N -1.02 0.31 -0.94 1.90 5.75 -0.66 -2.29 115.11 118.16 1ggw h GLN 10 Ca -0.05 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1ggw h GLN 10 Cb 0.35 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 1ggw h GLN 10 CO 0.08 0.21 0.62 0.00 -2.65 0.00 0.00 178.83 177.08 1ggw h ALA 11 N 1.14 1.37 -0.63 3.38 0.00 -0.87 -2.03 119.26 121.62 1ggw h ALA 11 Ca 0.12 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1ggw h ALA 11 Cb 0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.40 1ggw h ALA 11 CO -0.07 0.55 0.32 0.35 0.00 0.00 0.00 179.25 180.41 1ggw h PHE 12 N 1.22 0.58 -0.51 0.00 3.04 -0.75 -1.22 116.94 119.30 1ggw h PHE 12 Ca 0.36 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.31 1ggw h PHE 12 Cb -0.05 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 1ggw h PHE 12 CO -0.00 0.25 0.20 0.77 -2.02 0.00 0.00 178.31 177.51 1ggw h SER 13 N 0.59 0.67 -0.37 0.41 0.02 -1.01 -2.42 113.55 111.44 1ggw h SER 13 Ca 0.29 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1ggw h SER 13 Cb 0.24 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1ggw h SER 13 CO -0.21 0.61 0.22 -0.07 -1.14 0.00 0.00 176.83 176.24 1ggw h LEU 14 N 0.73 0.45 -2.43 5.07 3.38 -0.80 -1.51 115.31 120.20 1ggw h LEU 14 Ca 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ggw h LEU 14 Cb 0.15 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ggw h LEU 14 CO -0.02 0.36 0.00 0.49 0.09 0.00 0.00 178.44 179.36 1ggw n PHE 15 N -4.45 1.17 -3.47 1.13 3.01 -0.91 -4.72 117.46 109.22 1ggw n PHE 15 Ca 0.03 -0.41 -0.43 0.00 1.01 0.00 0.00 57.45 57.65 1ggw n PHE 15 Cb 0.09 -0.33 -0.05 0.00 -0.01 0.00 0.00 39.48 39.18 1ggw n PHE 15 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1ggw s ASP 16 N -0.43 6.23 0.41 4.37 -1.08 -0.57 -4.88 116.67 120.72 1ggw s ASP 16 Ca 0.30 -2.79 0.15 0.00 -0.52 0.00 0.00 52.55 49.70 1ggw s ASP 16 Cb 0.23 -2.08 0.88 0.00 -1.46 0.00 0.00 42.92 40.49 1ggw s ASP 16 CO 0.09 -0.49 1.89 -0.09 0.52 0.00 0.00 175.17 177.09 1ggw h ARG 17 N 7.47 0.00 0.00 4.34 9.65 -1.86 -2.91 114.38 131.07 1ggw h ARG 17 Ca 0.07 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.73 1ggw h ARG 17 Cb 1.00 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.55 1ggw h ARG 17 CO 0.74 0.29 -1.28 0.45 2.80 0.00 0.00 179.97 182.97 1ggw h HIS 18 N 0.00 0.00 -1.57 2.20 3.86 -1.90 -3.48 115.15 114.26 1ggw h HIS 18 Ca -0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 1ggw h HIS 18 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1ggw h HIS 18 CO 0.00 0.83 -0.24 0.41 0.86 0.00 0.00 177.93 179.80 1ggw n GLY 19 N 1.42 0.05 0.09 2.45 0.00 -1.10 -4.93 105.19 103.17 1ggw n GLY 19 Ca -0.08 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.94 1.32 0.00 2.61 -2.24 -1.26 -5.01 114.28 105.76 1ggw n THR 20 Ca -0.09 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1ggw n THR 20 Cb 0.57 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 1.81 1.02 3.47 3.38 0.00 -1.26 -5.12 105.19 108.48 1ggw n GLY 21 Ca -0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 1.66 -0.00 1.61 3.00 -1.26 -3.02 118.95 120.94 1ggw s ARG 22 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 55.73 54.08 1ggw s ARG 22 Cb 0.00 -1.82 -0.00 0.00 0.00 0.00 0.00 34.95 33.13 1ggw s ARG 22 CO 0.00 0.36 -0.02 0.96 0.00 0.00 0.00 175.30 176.60 1ggw s ILE 23 N -2.20 0.17 0.69 1.52 -4.36 -0.95 -4.86 121.20 111.22 1ggw s ILE 23 Ca 0.27 -0.09 -0.06 0.00 -0.26 0.00 0.00 60.65 60.51 1ggw s ILE 23 Cb -0.06 -0.16 0.06 0.00 1.25 0.00 0.00 42.46 43.56 1ggw s ILE 23 CO 0.13 0.05 0.99 -2.16 0.24 0.00 0.00 174.94 174.20 1ggw s PRO 24 N -0.03 2.19 0.36 0.37 0.04 -1.26 -2.71 135.00 133.96 1ggw s PRO 24 Ca 0.01 -0.35 0.17 0.00 0.04 0.00 0.00 61.00 60.86 1ggw s PRO 24 Cb -0.01 -2.21 1.12 0.00 0.04 0.00 0.00 34.50 33.44 1ggw s PRO 24 CO -0.00 -1.21 1.67 1.57 0.04 0.00 0.00 177.00 179.07 1ggw h LYS 25 N -0.54 0.31 -0.68 4.56 2.10 -1.94 0.19 116.57 120.58 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 1.31 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1ggw h LYS 25 CO 0.58 0.21 0.45 1.79 -2.00 0.00 0.00 179.45 180.47 1ggw h THR 26 N 0.32 1.17 0.11 0.07 1.35 -1.95 -1.25 112.91 112.74 1ggw h THR 26 Ca 0.72 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 66.26 1ggw h THR 26 Cb 1.74 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1ggw h THR 26 CO -0.54 0.17 -0.05 -1.28 -0.25 0.00 0.00 175.52 173.56 1ggw h SER 27 N 0.92 -0.13 -0.83 5.36 0.87 -1.01 -3.19 113.55 115.55 1ggw h SER 27 Ca 0.25 -0.34 0.13 0.00 -1.23 0.00 0.00 61.79 60.59 1ggw h SER 27 Cb -0.10 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.83 1ggw h SER 27 CO -0.05 0.29 0.54 0.40 -0.53 0.00 0.00 176.83 177.48 1ggw h ILE 28 N -0.58 0.87 0.00 2.23 1.08 -1.26 -0.17 117.51 119.69 1ggw h ILE 28 Ca -0.02 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1ggw h ILE 28 Cb 0.46 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 1ggw h ILE 28 CO 0.03 0.12 0.00 0.61 -0.69 0.00 0.00 178.15 178.21 1ggw n GLY 29 N -1.45 -2.83 0.24 5.37 0.00 -0.48 -0.14 105.19 105.90 1ggw n GLY 29 Ca 0.15 0.26 0.08 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 0.05 1.61 3.04 -1.61 -2.84 116.42 116.67 1ggw h ASP 30 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 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 0.16 -0.02 0.25 -2.04 0.00 0.00 179.24 177.59 1ggw h LEU 31 N 0.00 -0.06 -1.90 0.15 5.85 -0.77 -2.65 115.31 115.93 1ggw h LEU 31 Ca -0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1ggw h LEU 31 Cb 0.32 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1ggw h LEU 31 CO 0.02 0.09 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.08 1ggw h LEU 32 N -0.21 0.00 -1.13 2.25 3.38 -0.32 -2.36 115.31 116.92 1ggw h LEU 32 Ca -0.01 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1ggw h LEU 32 Cb 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1ggw h LEU 32 CO 0.01 0.07 0.60 -0.09 0.09 0.00 0.00 178.44 179.12 1ggw h ARG 33 N 0.00 0.89 0.00 1.13 2.43 -1.01 -0.21 114.38 117.60 1ggw h ARG 33 Ca -0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1ggw h ARG 33 Cb 0.12 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1ggw h ARG 33 CO 0.01 0.59 -0.17 0.00 -1.51 0.00 0.00 179.97 178.89 1ggw h ALA 34 N 1.55 1.58 -0.82 2.80 0.00 -1.42 -2.76 119.26 120.19 1ggw h ALA 34 Ca 0.45 -0.15 -0.58 0.00 0.00 0.00 0.00 54.91 54.62 1ggw h ALA 34 Cb 0.46 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 17.83 1ggw h ALA 34 CO -0.21 0.21 -0.37 0.00 0.00 0.00 0.00 179.25 178.88 1ggw n GLY 36 N -0.76 0.06 3.41 0.00 0.00 -0.89 -4.99 105.19 102.03 1ggw n GLY 36 Ca 0.49 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 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 1.71 -0.29 1.61 -1.52 -1.23 -4.78 119.66 115.17 1ggw s GLN 37 Ca 0.00 -2.00 0.03 0.00 -1.95 0.00 0.00 55.36 51.44 1ggw s GLN 37 Cb 0.00 -0.40 0.07 0.00 -0.22 0.00 0.00 33.01 32.46 1ggw s GLN 37 CO 0.00 -0.41 -0.05 1.21 -0.25 0.00 0.00 175.29 175.78 1ggw s ASN 38 N -3.47 4.58 0.22 5.90 3.04 -1.26 -1.96 114.94 121.99 1ggw s ASN 38 Ca 0.32 -1.61 0.00 0.00 0.04 0.00 0.00 52.86 51.61 1ggw s ASN 38 Cb 0.05 -1.59 0.00 0.00 -1.54 0.00 0.00 41.25 38.17 1ggw s ASN 38 CO 0.16 -0.25 0.00 -0.81 -3.04 0.00 0.00 177.10 173.16 1ggw n PRO 39 N 4.40 1.06 -2.88 0.43 -0.04 -1.26 -5.04 135.00 131.67 1ggw n PRO 39 Ca -0.09 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.15 1ggw n PRO 39 Cb 0.42 0.00 0.02 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 0.12 3.52 0.41 0.52 -4.23 -1.26 -4.97 115.64 109.73 1ggw s THR 40 Ca 0.00 -0.58 0.11 0.00 -1.18 0.00 0.00 61.69 60.04 1ggw s THR 40 Cb 0.00 -3.30 0.32 0.00 1.34 0.00 0.00 72.50 70.86 1ggw s THR 40 CO 0.00 -0.21 1.96 -0.07 -0.54 0.00 0.00 174.62 175.77 1ggw h LEU 41 N 0.31 0.48 -1.19 4.79 -0.00 -1.99 -0.36 115.31 117.35 1ggw h LEU 41 Ca -0.45 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 57.47 1ggw h LEU 41 Cb 1.27 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 41.79 1ggw h LEU 41 CO 0.55 0.29 0.55 0.00 -0.00 0.00 0.00 178.44 179.84 1ggw h ALA 42 N 1.66 1.46 0.43 1.53 0.00 -1.98 0.51 119.26 122.87 1ggw h ALA 42 Ca 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ggw h ALA 42 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ggw h ALA 42 CO -0.10 0.47 -0.20 1.49 0.00 0.00 0.00 179.25 180.91 1ggw h GLU 43 N 1.07 -0.55 -0.32 0.00 4.22 -1.44 0.54 114.58 118.10 1ggw h GLU 43 Ca 0.33 0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.82 1ggw h GLU 43 Cb -0.01 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1ggw h GLU 43 CO -0.09 -0.28 0.18 -0.84 -2.18 0.00 0.00 179.01 175.80 1ggw h ILE 44 N -0.76 1.02 -1.00 2.32 -2.65 -1.32 -2.00 117.51 113.11 1ggw h ILE 44 Ca -0.06 -0.13 0.04 0.00 1.03 0.00 0.00 64.86 65.74 1ggw h ILE 44 Cb 0.53 0.62 -0.06 0.00 -2.05 0.00 0.00 36.82 35.86 1ggw h ILE 44 CO 0.10 0.07 0.65 0.74 0.03 0.00 0.00 178.15 179.74 1ggw h THR 45 N 0.37 1.17 -0.93 0.16 2.02 -0.90 -1.57 112.91 113.23 1ggw h THR 45 Ca 0.13 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1ggw h THR 45 Cb 0.02 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.17 1ggw h THR 45 CO -0.07 0.23 0.61 -0.33 0.37 0.00 0.00 175.52 176.32 1ggw h GLU 46 N 1.26 1.14 0.02 6.66 5.08 -0.21 -1.42 114.58 127.11 1ggw h GLU 46 Ca 0.40 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1ggw h GLU 46 Cb 0.02 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1ggw h GLU 46 CO -0.13 0.76 -0.01 0.82 -1.00 0.00 0.00 179.01 179.45 1ggw h ILE 47 N 1.18 1.05 -0.12 3.13 2.04 -0.63 -1.99 117.51 122.17 1ggw h ILE 47 Ca 0.37 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 66.06 1ggw h ILE 47 Cb 0.00 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1ggw h ILE 47 CO -0.12 0.05 0.18 -0.33 0.00 0.00 0.00 178.15 177.93 1ggw h GLU 48 N -0.11 0.00 0.00 2.37 5.08 -0.80 -1.37 114.58 119.74 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 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 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 -3.56 0.00 -0.01 1.42 2.88 -0.59 -3.35 113.62 110.41 1ggw n SER 49 Ca 0.00 0.34 -0.03 0.00 -1.33 0.00 0.00 58.87 57.85 1ggw n SER 49 Cb 0.28 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.34 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 -1.39 0.16 -2.96 2.46 -2.24 -0.52 -5.06 114.28 104.73 1ggw n THR 50 Ca 0.02 -0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 1ggw n THR 50 Cb 0.06 -1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 67.17 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 -5.70 3.81 0.38 3.22 2.01 -1.18 -5.02 118.68 116.20 1ggw s LEU 51 Ca -0.04 0.77 -0.22 0.00 0.01 0.00 0.00 54.13 54.65 1ggw s LEU 51 Cb 0.01 -3.68 -0.16 0.00 0.01 0.00 0.00 46.19 42.38 1ggw s LEU 51 CO 0.06 -0.43 0.14 -2.65 1.01 0.00 0.00 176.35 174.47 1ggw n PRO 52 N -1.89 0.01 -0.22 1.29 -0.02 -1.26 -4.71 135.00 128.19 1ggw n PRO 52 Ca -0.01 0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.41 1ggw n PRO 52 Cb 0.55 -1.01 -0.05 0.00 -0.02 0.00 0.00 33.50 32.97 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 -0.91 -0.34 -2.69 3.55 0.00 -1.26 -4.00 120.51 114.85 1ggw n ALA 53 Ca 0.12 0.45 -0.39 0.00 0.00 0.00 0.00 53.44 53.63 1ggw n ALA 53 Cb 0.38 -0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 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 -5.19 4.28 -1.04 0.00 2.02 -1.26 -4.94 118.70 112.56 1ggw s GLU 54 Ca -0.06 0.49 -0.18 0.00 0.02 0.00 0.00 54.97 55.23 1ggw s GLU 54 Cb 0.06 -3.50 0.12 0.00 0.10 0.00 0.00 34.13 30.91 1ggw s GLU 54 CO 0.33 -0.01 1.31 0.08 0.02 0.00 0.00 175.26 177.00 1ggw s VAL 55 N 1.16 4.59 0.89 2.63 1.01 -1.10 -4.84 120.40 124.74 1ggw s VAL 55 Ca 0.26 -1.70 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 1ggw s VAL 55 Cb -0.15 -4.90 0.18 0.00 0.00 0.00 0.00 36.38 31.51 1ggw s VAL 55 CO 0.11 -1.66 1.22 1.51 0.00 0.00 0.00 175.10 176.27 1ggw s ASP 56 N 3.75 3.46 0.28 3.32 1.47 -1.26 -2.24 116.67 125.46 1ggw s ASP 56 Ca 0.39 -0.03 -0.03 0.00 1.18 0.00 0.00 52.55 54.06 1ggw s ASP 56 Cb -0.03 -0.09 0.59 0.00 -0.34 0.00 0.00 42.92 43.05 1ggw s ASP 56 CO -0.06 -2.49 1.58 0.24 0.68 0.00 0.00 175.17 175.13 1ggw h MET 57 N -1.28 0.02 0.04 2.11 2.86 -1.93 0.18 114.93 116.93 1ggw h MET 57 Ca -0.41 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1ggw h MET 57 Cb 1.24 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1ggw h MET 57 CO 0.36 0.01 -0.02 1.49 1.06 0.00 0.00 176.91 179.82 1ggw h GLU 58 N 0.02 -0.05 -0.07 1.72 4.81 -1.92 -1.45 114.58 117.64 1ggw h GLU 58 Ca 0.52 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.78 1ggw h GLU 58 Cb 0.96 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 1ggw h GLU 58 CO -0.90 0.30 -0.09 1.96 -0.73 0.00 0.00 179.01 179.55 1ggw h GLN 59 N -0.40 -0.12 -0.15 1.92 7.50 -1.42 0.22 115.11 122.67 1ggw h GLN 59 Ca -0.00 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 1ggw h GLN 59 Cb 0.37 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.92 1ggw h GLN 59 CO 0.01 -0.08 0.07 0.35 -1.50 0.00 0.00 178.83 177.68 1ggw h PHE 60 N -0.12 0.21 -0.40 2.96 3.57 -0.80 -2.67 116.94 119.70 1ggw h PHE 60 Ca 0.06 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ggw h PHE 60 Cb 0.21 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1ggw h PHE 60 CO -0.19 0.25 0.20 -0.07 -2.23 0.00 0.00 178.31 176.27 1ggw h LEU 61 N 0.12 0.49 0.30 0.59 3.38 -1.06 -1.79 115.31 117.33 1ggw h LEU 61 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ggw h LEU 61 Cb 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ggw h LEU 61 CO -0.01 0.42 -0.15 -0.61 0.09 0.00 0.00 178.44 178.18 1ggw h GLN 62 N 0.56 -0.39 -0.57 1.13 -0.00 -0.24 0.19 115.11 115.79 1ggw h GLN 62 Ca 0.14 0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.77 1ggw h GLN 62 Cb 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.59 1ggw h GLN 62 CO -0.02 -0.23 0.18 -0.39 0.00 0.00 0.00 178.83 178.37 1ggw h VAL 63 N -0.45 1.24 -0.29 2.39 -1.51 -1.33 -2.59 116.25 113.71 1ggw h VAL 63 Ca -0.04 -0.81 -0.01 0.00 -1.23 0.00 0.00 66.70 64.61 1ggw h VAL 63 Cb 0.34 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 1ggw h VAL 63 CO 0.07 0.30 0.15 0.25 -1.23 0.00 0.00 177.57 177.12 1ggw h LEU 64 N 0.80 0.37 -4.85 4.19 5.85 -1.23 -2.97 115.31 117.46 1ggw h LEU 64 Ca 0.18 -0.10 -0.71 0.00 0.84 0.00 0.00 57.88 58.09 1ggw h LEU 64 Cb 0.29 -0.09 -0.25 0.00 0.37 0.00 0.00 40.66 40.97 1ggw h LEU 64 CO -0.01 0.36 0.93 0.59 -0.34 0.00 0.00 178.44 179.97 1ggw n ASN 65 N -4.81 7.34 0.19 1.25 3.02 0.67 -4.69 115.26 118.23 1ggw n ASN 65 Ca -0.02 -3.71 -0.15 0.00 -0.03 0.00 0.00 54.58 50.67 1ggw n ASN 65 Cb 0.08 -1.09 -0.08 0.00 -0.61 0.00 0.00 39.78 38.08 1ggw n ASN 65 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1ggw h ARG 66 N 2.93 -0.39 -0.85 3.52 2.47 -1.30 -2.70 114.38 118.07 1ggw h ARG 66 Ca 0.54 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.28 1ggw h ARG 66 Cb 0.20 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1ggw h ARG 66 CO 1.34 -0.25 0.00 -0.35 0.56 0.00 0.00 179.97 181.26 1ggw n PRO 67 N -5.26 2.06 -2.84 0.04 -0.04 -1.26 -4.92 135.00 122.77 1ggw n PRO 67 Ca -0.10 -0.87 -0.07 0.00 -0.04 0.00 0.00 63.50 62.42 1ggw n PRO 67 Cb 0.18 -1.69 0.01 0.00 -0.04 0.00 0.00 33.50 31.96 1ggw n PRO 67 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ggw n ASN 68 N 0.17 -7.81 0.00 3.54 4.13 -1.02 -4.97 115.26 109.30 1ggw n ASN 68 Ca 0.08 0.46 0.00 0.00 1.68 0.00 0.00 54.58 56.80 1ggw n ASN 68 Cb 0.50 -5.30 0.00 0.00 -1.54 0.00 0.00 39.78 33.44 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ggw n GLY 69 N -0.47 2.03 0.15 7.41 0.00 -1.26 -5.02 105.19 108.02 1ggw n GLY 69 Ca 0.10 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.49 0.00 -2.54 1.61 3.01 -1.26 -4.50 117.46 112.29 1ggw n PHE 70 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 1ggw n PHE 70 Cb 0.00 -0.89 0.00 0.00 -0.01 0.00 0.00 39.48 38.58 1ggw n PHE 70 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ggw n ASP 71 N -3.46 5.22 0.01 4.37 5.68 -1.26 -4.09 116.55 123.03 1ggw n ASP 71 Ca -0.44 -3.10 0.00 0.00 -0.50 0.00 0.00 54.79 50.75 1ggw n ASP 71 Cb 0.91 -1.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1ggw n MET 72 N 4.07 0.00 -0.28 0.11 1.56 -1.26 -5.01 117.12 116.31 1ggw n MET 72 Ca 0.38 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.80 1ggw n MET 72 Cb 0.38 0.00 0.06 0.00 2.15 0.00 0.00 33.22 35.81 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 -0.05 0.00 2.12 0.11 -1.79 -3.42 132.00 128.96 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 -0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.17 1ggw n GLY 74 N -1.49 -1.58 3.76 -0.55 0.00 -1.26 -5.04 105.19 99.03 1ggw n GLY 74 Ca 0.09 0.58 -0.40 0.00 0.00 0.00 0.00 46.02 46.29 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 7.58 0.18 1.61 1.11 -1.26 -4.98 116.67 120.91 1ggw s ASP 75 Ca 0.00 1.89 -0.13 0.00 0.18 0.00 0.00 52.55 54.49 1ggw s ASP 75 Cb 0.00 -2.59 0.12 0.00 1.07 0.00 0.00 42.92 41.52 1ggw s ASP 75 CO 0.00 0.14 1.81 -0.65 1.18 0.00 0.00 175.17 177.65 1ggw h PRO 76 N 4.06 0.57 0.00 8.23 0.11 -1.98 -1.99 132.00 141.01 1ggw h PRO 76 Ca -0.45 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1ggw h PRO 76 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1ggw h PRO 76 CO 0.67 0.38 -0.35 1.49 -0.21 0.00 0.00 178.00 179.98 1ggw h GLU 77 N 0.59 0.00 -0.14 1.05 4.81 -1.98 -2.42 114.58 116.48 1ggw h GLU 77 Ca 0.22 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1ggw h GLU 77 Cb 0.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1ggw h GLU 77 CO -0.11 0.35 -0.04 1.49 -0.73 0.00 0.00 179.01 179.97 1ggw h GLU 78 N 0.00 0.28 -0.05 1.92 4.22 -1.78 -1.27 114.58 117.90 1ggw h GLU 78 Ca -0.00 -0.11 -0.20 0.00 0.08 0.00 0.00 59.36 59.13 1ggw h GLU 78 Cb 0.99 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1ggw h GLU 78 CO 0.05 0.57 -0.81 0.27 -2.18 0.00 0.00 179.01 176.91 1ggw h PHE 79 N -0.03 0.57 0.45 0.92 -5.15 -1.42 -2.00 116.94 110.28 1ggw h PHE 79 Ca 0.04 -0.27 -0.02 0.00 -0.20 0.00 0.00 57.97 57.51 1ggw h PHE 79 Cb 0.47 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 36.56 1ggw h PHE 79 CO 0.05 1.06 -0.22 0.28 -2.00 0.00 0.00 178.31 177.48 1ggw h VAL 80 N 0.26 0.42 -0.37 0.88 2.07 -1.45 -2.03 116.25 116.03 1ggw h VAL 80 Ca -0.05 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1ggw h VAL 80 Cb 1.40 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1ggw h VAL 80 CO 0.14 0.07 -0.00 0.50 0.02 0.00 0.00 177.57 178.29 1ggw h LYS 81 N -0.95 0.59 -0.20 1.57 1.63 -1.34 0.16 116.57 118.02 1ggw h LYS 81 Ca -0.06 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1ggw h LYS 81 Cb 0.58 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1ggw h LYS 81 CO 0.10 0.61 0.04 0.78 -3.45 0.00 0.00 179.45 177.53 1ggw h GLY 82 N 0.88 0.35 1.48 5.01 0.00 -1.38 -3.22 103.07 106.19 1ggw h GLY 82 Ca 0.12 -0.23 -0.26 0.00 0.00 0.00 0.00 47.33 46.96 1ggw h GLY 82 CO 0.01 0.21 -1.11 0.74 0.00 0.00 0.00 176.54 176.39 1ggw h PHE 83 N 0.13 0.69 -0.36 5.60 0.04 -1.27 -3.39 116.94 118.37 1ggw h PHE 83 Ca 0.06 -0.43 -0.59 0.00 2.80 0.00 0.00 57.97 59.82 1ggw h PHE 83 Cb 0.30 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 1ggw h PHE 83 CO 0.02 1.28 2.12 0.94 -0.60 0.00 0.00 178.31 182.06 1ggw n GLN 84 N -3.70 2.29 0.03 1.51 7.27 0.53 -4.35 117.38 120.96 1ggw n GLN 84 Ca -0.09 -2.57 0.00 0.00 0.07 0.00 0.00 57.00 54.40 1ggw n GLN 84 Cb 0.93 -3.38 0.00 0.00 2.41 0.00 0.00 30.24 30.20 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 6.41 0.26 -1.59 1.69 0.31 -1.26 -4.83 118.33 119.32 1ggw n VAL 85 Ca 0.49 0.09 -0.27 0.00 -0.01 0.00 0.00 64.34 64.64 1ggw n VAL 85 Cb 0.43 -0.82 0.08 0.00 -0.91 0.00 0.00 33.84 32.62 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 -2.84 2.80 -3.39 3.52 3.01 -1.26 -4.77 117.46 114.52 1ggw n PHE 86 Ca 0.00 -2.51 -0.26 0.00 1.01 0.00 0.00 57.45 55.69 1ggw n PHE 86 Cb 0.00 -0.91 -0.08 0.00 -0.01 0.00 0.00 39.48 38.48 1ggw n PHE 86 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ggw n ASP 87 N -0.88 1.78 0.14 4.37 5.68 -1.26 -4.94 116.55 121.45 1ggw n ASP 87 Ca 0.52 -3.00 0.09 0.00 -0.50 0.00 0.00 54.79 51.91 1ggw n ASP 87 Cb 0.88 -0.65 0.59 0.00 -1.14 0.00 0.00 41.12 40.79 1ggw n ASP 87 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1ggw h LYS 88 N 4.45 0.15 0.00 0.11 2.10 -1.99 -3.33 116.57 118.05 1ggw h LYS 88 Ca 0.15 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.70 1ggw h LYS 88 Cb 0.79 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.07 1ggw h LYS 88 CO 0.62 0.10 -1.06 -3.47 -2.00 0.00 0.00 179.45 173.64 1ggw n ASP 89 N -4.50 0.96 -3.03 7.07 -0.08 -1.26 -5.08 116.55 110.62 1ggw n ASP 89 Ca 0.01 0.15 -0.01 0.00 -1.51 0.00 0.00 54.79 53.43 1ggw n ASP 89 Cb 0.17 -0.36 0.01 0.00 2.34 0.00 0.00 41.12 43.28 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 -3.58 -2.47 -0.11 -1.67 0.00 -1.25 -4.99 120.51 106.43 1ggw n ALA 90 Ca -0.13 0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 1ggw n ALA 90 Cb 0.45 -1.85 -0.10 0.00 0.00 0.00 0.00 19.45 17.95 1ggw n ALA 90 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ggw n THR 91 N -1.88 1.27 -2.71 0.00 5.66 -1.26 -4.91 114.28 110.45 1ggw n THR 91 Ca -0.01 -0.48 -0.07 0.00 -3.05 0.00 0.00 64.05 60.45 1ggw n THR 91 Cb 0.51 -1.31 0.09 0.00 -1.55 0.00 0.00 70.33 68.07 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ggw n GLY 92 N 2.39 -0.29 3.65 1.09 0.00 -1.26 -5.14 105.19 105.63 1ggw n GLY 92 Ca -0.40 0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 0.24 0.18 -0.19 1.61 0.23 -1.26 -4.41 119.30 115.71 1ggw s MET 93 Ca 0.23 0.21 -0.02 0.00 -1.03 0.00 0.00 55.69 55.08 1ggw s MET 93 Cb 0.28 0.09 -0.11 0.00 -1.53 0.00 0.00 34.83 33.56 1ggw s MET 93 CO -0.12 -0.02 -0.19 1.51 -2.03 0.00 0.00 175.02 174.16 1ggw n ILE 94 N 1.73 1.04 -2.65 3.16 0.00 -1.26 -4.79 119.36 116.59 1ggw n ILE 94 Ca -0.11 -0.35 -0.06 0.00 0.00 0.00 0.00 62.75 62.23 1ggw n ILE 94 Cb 0.57 -1.35 0.01 0.00 0.00 0.00 0.00 39.64 38.87 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 2.36 -1.57 0.56 4.50 0.00 -1.21 -4.69 105.19 105.14 1ggw n GLY 95 Ca -0.34 1.00 0.41 0.00 0.00 0.00 0.00 46.02 47.09 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 1.83 0.15 -1.02 1.61 2.07 1.00 0.77 116.25 122.66 1ggw h VAL 96 Ca 0.00 -0.02 0.27 0.00 0.82 0.00 0.00 66.70 67.77 1ggw h VAL 96 Cb 0.76 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.50 1ggw h VAL 96 CO 0.16 0.01 0.62 1.23 0.02 0.00 0.00 177.57 179.61 1ggw h GLY 97 N 0.06 1.77 0.73 2.17 0.00 -1.57 0.59 103.07 106.82 1ggw h GLY 97 Ca 0.80 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 47.71 1ggw h GLY 97 CO -0.21 -0.26 -0.63 1.05 0.00 0.00 0.00 176.54 176.49 1ggw h GLU 98 N 0.49 0.36 -0.52 4.80 4.11 -1.11 -2.67 114.58 120.04 1ggw h GLU 98 Ca 0.66 -0.44 -0.07 0.00 0.07 0.00 0.00 59.36 59.58 1ggw h GLU 98 Cb 1.40 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 1ggw h GLU 98 CO -0.46 1.12 0.05 1.37 0.07 0.00 0.00 179.01 181.17 1ggw h LEU 99 N -0.20 0.81 -0.01 3.06 8.10 -1.24 -2.54 115.31 123.29 1ggw h LEU 99 Ca -0.09 -0.18 -0.00 0.00 0.11 0.00 0.00 57.88 57.72 1ggw h LEU 99 Cb 1.37 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 41.38 1ggw h LEU 99 CO 0.12 0.84 -0.00 -0.09 -4.11 0.00 0.00 178.44 175.20 1ggw h ARG 100 N 0.80 0.02 -0.84 0.17 1.12 0.03 -2.00 114.38 113.68 1ggw h ARG 100 Ca 0.16 -0.01 0.12 0.00 -1.11 0.00 0.00 59.98 59.14 1ggw h ARG 100 Cb 0.41 -0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 30.28 1ggw h ARG 100 CO 0.01 0.41 0.46 -0.92 -3.11 0.00 0.00 179.97 176.82 1ggw h TYR 101 N -0.36 0.82 0.08 2.20 3.20 -1.40 0.32 116.97 121.83 1ggw h TYR 101 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ggw h TYR 101 Cb 0.40 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1ggw h TYR 101 CO 0.06 0.27 -0.04 0.28 -1.64 0.00 0.00 178.16 177.10 1ggw h VAL 102 N 0.72 1.12 0.05 1.81 2.07 -1.43 -2.54 116.25 118.06 1ggw h VAL 102 Ca 0.43 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1ggw h VAL 102 Cb 0.50 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1ggw h VAL 102 CO -0.30 0.18 -0.03 -0.07 0.02 0.00 0.00 177.57 177.38 1ggw h LEU 103 N -0.44 -0.06 -1.86 2.57 3.38 -0.97 -2.99 115.31 114.94 1ggw h LEU 103 Ca -0.01 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.83 1ggw h LEU 103 Cb 0.38 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1ggw h LEU 103 CO 0.02 0.18 0.28 0.74 0.09 0.00 0.00 178.44 179.75 1ggw h THR 104 N -0.30 0.87 0.00 0.22 2.02 -0.46 -0.38 112.91 114.88 1ggw h THR 104 Ca -0.01 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1ggw h THR 104 Cb 0.27 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1ggw h THR 104 CO 0.01 0.03 -0.17 -1.28 0.37 0.00 0.00 175.52 174.48 1ggw h SER 105 N 0.16 0.00 0.17 4.18 0.87 -1.30 -2.54 113.55 115.09 1ggw h SER 105 Ca 0.19 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1ggw h SER 105 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1ggw h SER 105 CO -0.03 0.17 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.29 1ggw h LEU 106 N 0.00 -0.19 -5.00 2.23 3.38 -1.05 -3.45 115.31 111.23 1ggw h LEU 106 Ca -0.00 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 1ggw h LEU 106 Cb 0.48 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.14 1ggw h LEU 106 CO 0.02 -0.11 -0.32 0.61 0.09 0.00 0.00 178.44 178.74 1ggw n GLY 107 N -0.34 0.56 3.28 0.83 0.00 -1.24 -4.98 105.19 103.30 1ggw n GLY 107 Ca -0.03 0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.02 -6.56 0.00 1.61 4.71 -0.96 -5.03 120.64 114.40 1ggw n GLU 108 Ca -0.01 0.75 0.00 0.00 -0.01 0.00 0.00 57.16 57.90 1ggw n GLU 108 Cb 0.75 -5.53 0.00 0.00 -1.01 0.00 0.00 31.44 25.65 1ggw n GLU 108 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ggw n LYS 109 N -4.17 2.59 -1.94 3.49 4.76 -1.25 -4.63 118.16 117.01 1ggw n LYS 109 Ca -0.13 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.02 1ggw n LYS 109 Cb 0.60 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.73 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 3.11 0.00 -0.35 4.77 -1.26 -4.77 117.00 118.49 1ggw n LEU 110 Ca 0.00 -3.11 -0.05 0.00 -0.03 0.00 0.00 56.01 52.82 1ggw n LEU 110 Cb 0.00 -1.66 0.04 0.00 -2.33 0.00 0.00 43.42 39.47 1ggw n LEU 110 CO 0.00 -1.73 0.09 -1.54 -1.33 0.00 0.00 177.39 172.88 1ggw n SER 111 N 13.79 -1.32 -0.19 -1.43 3.41 -1.26 -4.57 113.62 122.06 1ggw n SER 111 Ca 0.45 -0.54 0.21 0.00 -0.26 0.00 0.00 58.87 58.73 1ggw n SER 111 Cb 0.46 -0.15 0.58 0.00 -0.26 0.00 0.00 64.21 64.83 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 -1.40 0.27 0.15 4.04 -1.07 -1.93 -2.15 115.58 113.49 1ggw h ASN 112 Ca -0.06 0.02 -0.01 0.00 0.07 0.00 0.00 56.30 56.32 1ggw h ASN 112 Cb 0.19 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.42 1ggw h ASN 112 CO 0.04 0.11 -0.07 -0.08 0.07 0.00 0.00 177.43 177.50 1ggw h GLU 113 N 0.27 -0.20 0.01 4.14 4.81 -1.97 0.32 114.58 121.97 1ggw h GLU 113 Ca 0.42 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.68 1ggw h GLU 113 Cb 1.21 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1ggw h GLU 113 CO -0.11 0.01 -0.11 1.49 -0.73 0.00 0.00 179.01 179.57 1ggw h GLU 114 N -0.38 -0.18 0.00 1.92 4.57 -1.70 -1.80 114.58 117.01 1ggw h GLU 114 Ca -0.02 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1ggw h GLU 114 Cb 0.30 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1ggw h GLU 114 CO 0.03 -0.12 -0.23 0.00 -1.18 0.00 0.00 179.01 177.52 1ggw h MET 115 N -0.19 0.00 -0.36 1.92 -0.00 -1.47 -2.77 114.93 112.06 1ggw h MET 115 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.76 1ggw h MET 115 Cb 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.80 1ggw h MET 115 CO -0.10 0.23 0.20 -0.44 -0.00 0.00 0.00 176.91 176.80 1ggw h ASP 116 N 0.00 0.32 -0.37 -0.10 5.19 0.52 0.38 116.42 122.36 1ggw h ASP 116 Ca -0.00 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.36 1ggw h ASP 116 Cb 0.51 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1ggw h ASP 116 CO 0.03 0.23 -0.00 -0.33 -3.12 0.00 0.00 179.24 176.04 1ggw h GLU 117 N 0.41 0.65 -0.82 3.56 5.08 -1.27 -0.86 114.58 121.34 1ggw h GLU 117 Ca 0.15 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1ggw h GLU 117 Cb 0.03 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1ggw h GLU 117 CO -0.08 0.76 0.50 1.37 -1.00 0.00 0.00 179.01 180.56 1ggw h LEU 118 N 0.47 0.97 -0.99 1.33 8.10 -1.20 -2.00 115.31 121.99 1ggw h LEU 118 Ca 0.10 -0.06 -0.10 0.00 0.11 0.00 0.00 57.88 57.93 1ggw h LEU 118 Cb 0.47 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 1ggw h LEU 118 CO 0.02 0.74 -0.47 -0.07 -4.11 0.00 0.00 178.44 174.55 1ggw h LEU 119 N 1.12 0.08 -0.81 0.17 3.38 -0.11 -2.57 115.31 116.58 1ggw h LEU 119 Ca 0.29 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1ggw h LEU 119 Cb -0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1ggw h LEU 119 CO -0.06 0.54 0.34 0.11 0.09 0.00 0.00 178.44 179.47 1ggw h LYS 120 N 0.06 1.19 -0.11 1.13 1.57 -0.42 -3.10 116.57 116.89 1ggw h LYS 120 Ca 0.00 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1ggw h LYS 120 Cb 0.85 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1ggw h LYS 120 CO 0.06 0.95 -0.28 0.78 -0.57 0.00 0.00 179.45 180.39 1ggw h GLY 121 N 1.16 0.43 -6.79 3.86 0.00 -1.30 -3.42 103.07 97.02 1ggw h GLY 121 Ca 0.27 -0.54 -0.62 0.00 0.00 0.00 0.00 47.33 46.44 1ggw h GLY 121 CO -0.03 0.48 0.14 0.14 0.00 0.00 0.00 176.54 177.27 1ggw s VAL 122 N -3.91 4.92 -1.05 4.60 1.01 -0.98 -4.97 120.40 120.02 1ggw s VAL 122 Ca -0.14 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 62.45 1ggw s VAL 122 Cb 0.05 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 1ggw s VAL 122 CO 0.78 -0.20 2.19 -0.81 0.00 0.00 0.00 175.10 177.06 1ggw n PRO 123 N 5.93 2.25 -3.38 2.72 -0.04 -1.26 -4.72 135.00 136.50 1ggw n PRO 123 Ca -0.01 -1.85 -0.15 0.00 -0.04 0.00 0.00 63.50 61.45 1ggw n PRO 123 Cb 0.49 -2.77 -0.04 0.00 -0.04 0.00 0.00 33.50 31.14 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 4.80 0.00 -4.56 0.52 0.24 -1.26 -5.13 118.33 112.94 1ggw n VAL 124 Ca 0.52 -1.36 -0.33 0.00 -2.04 0.00 0.00 64.34 61.13 1ggw n VAL 124 Cb 0.27 0.48 -0.16 0.00 -1.47 0.00 0.00 33.84 32.95 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 -2.90 3.09 0.00 7.34 1.02 -1.26 -4.59 119.74 122.44 1ggw s LYS 125 Ca 0.11 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.29 1ggw s LYS 125 Cb 0.01 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 1ggw s LYS 125 CO 0.08 -0.03 0.00 -3.47 -0.92 0.00 0.00 175.35 171.01 1ggw n ASP 126 N 4.13 0.00 -0.99 2.83 2.03 -1.26 -3.75 116.55 119.54 1ggw n ASP 126 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1ggw n ASP 126 Cb 0.51 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ggw n GLY 127 N -2.00 0.49 3.48 0.27 0.00 -1.26 -0.39 105.19 105.77 1ggw n GLY 127 Ca 0.00 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.64 3.68 0.00 1.61 0.00 -1.25 -1.04 119.30 118.66 1ggw s MET 128 Ca 0.00 -0.48 0.20 0.00 0.00 0.00 0.00 55.69 55.41 1ggw s MET 128 Cb 0.00 -3.44 0.33 0.00 0.00 0.00 0.00 34.83 31.72 1ggw s MET 128 CO 0.00 -0.22 1.12 0.28 0.00 0.00 0.00 175.02 176.20 1ggw n VAL 129 N 4.96 0.00 -1.94 10.11 0.31 -1.26 -4.82 118.33 125.69 1ggw n VAL 129 Ca -0.15 -0.77 -0.21 0.00 -0.01 0.00 0.00 64.34 63.20 1ggw n VAL 129 Cb 0.51 0.88 -0.05 0.00 -0.91 0.00 0.00 33.84 34.26 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 0.38 -5.61 -4.09 4.52 2.85 -1.26 -2.77 115.26 109.28 1ggw n ASN 130 Ca 0.03 0.29 -0.29 0.00 -0.11 0.00 0.00 54.58 54.50 1ggw n ASN 130 Cb 1.04 -4.84 -0.04 0.00 1.24 0.00 0.00 39.78 37.19 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 -3.06 -1.57 0.02 1.20 9.36 -1.26 -4.73 117.16 117.12 1ggw n TYR 131 Ca -0.22 0.73 0.00 0.00 3.32 0.00 0.00 57.90 61.72 1ggw n TYR 131 Cb 0.68 -3.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.01 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 -4.43 -0.12 -0.08 2.98 -0.00 -1.11 -4.59 115.22 107.87 1ggw n HIS 132 Ca -0.24 0.02 0.04 0.00 0.46 0.00 0.00 57.72 58.00 1ggw n HIS 132 Cb 0.65 0.08 0.38 0.00 -0.12 0.00 0.00 29.99 30.98 1ggw n HIS 132 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1ggw h ASP 133 N 0.00 0.58 0.33 0.26 5.19 -1.89 0.25 116.42 121.14 1ggw h ASP 133 Ca 0.00 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1ggw h ASP 133 Cb 0.59 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1ggw h ASP 133 CO 0.00 0.41 -0.16 -0.26 -3.12 0.00 0.00 179.24 176.12 1ggw h PHE 134 N 0.68 -0.41 -0.34 4.55 0.04 -1.90 -2.41 116.94 117.15 1ggw h PHE 134 Ca 0.20 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1ggw h PHE 134 Cb -0.01 0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1ggw h PHE 134 CO -0.00 -0.07 0.08 0.28 -0.60 0.00 0.00 178.31 178.00 1ggw h VAL 135 N -0.85 1.16 0.26 -0.55 2.07 -1.77 -1.96 116.25 114.62 1ggw h VAL 135 Ca -0.04 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1ggw h VAL 135 Cb 0.52 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1ggw h VAL 135 CO 0.07 0.21 -0.13 -0.61 0.02 0.00 0.00 177.57 177.14 1ggw h GLN 136 N 0.49 -0.34 -0.27 1.57 4.15 -0.50 -1.20 115.11 119.01 1ggw h GLN 136 Ca 0.12 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 1ggw h GLN 136 Cb 0.20 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1ggw h GLN 136 CO -0.00 -0.21 -0.07 1.98 -1.93 0.00 0.00 178.83 178.60 1ggw h MET 137 N -0.38 0.43 -0.36 1.69 4.05 -1.27 -2.91 114.93 116.19 1ggw h MET 137 Ca -0.04 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.25 1ggw h MET 137 Cb 0.29 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1ggw h MET 137 CO 0.06 0.52 0.11 0.82 0.23 0.00 0.00 176.91 178.65 1ggw h ILE 138 N 0.41 1.21 -1.89 1.77 2.04 -1.08 -3.19 117.51 116.77 1ggw h ILE 138 Ca 0.08 -0.68 -0.79 0.00 1.00 0.00 0.00 64.86 64.48 1ggw h ILE 138 Cb 0.39 0.98 -0.22 0.00 -0.74 0.00 0.00 36.82 37.23 1ggw h ILE 138 CO 0.02 0.23 1.47 0.18 0.00 0.00 0.00 178.15 180.06 1ggw n LEU 139 N -4.64 7.59 -2.77 1.44 4.32 -0.48 -4.53 117.00 117.93 1ggw n LEU 139 Ca -0.01 -5.22 -0.09 0.00 -0.02 0.00 0.00 56.01 50.67 1ggw n LEU 139 Cb 0.17 -1.23 0.08 0.00 -1.62 0.00 0.00 43.42 40.82 1ggw n LEU 139 CO 0.37 2.05 0.27 0.00 -1.22 0.00 0.00 177.39 178.86 1ggw n ALA 140 N 0.50 0.91 -0.65 -1.18 0.00 -1.21 -4.93 120.51 113.95 1ggw n ALA 140 Ca 0.52 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1ggw n ALA 140 Cb 0.26 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59