#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggw h THR 3 N 0.00 1.19 0.00 0.44 2.02 -2.10 -3.34 112.91 111.13 1ggw h THR 3 Ca 0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1ggw h THR 3 Cb 0.00 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1ggw h THR 3 CO 0.00 0.59 0.00 -2.24 0.37 0.00 0.00 175.52 174.24 1ggw h ASP 4 N -0.62 0.00 -3.86 4.18 2.03 -2.07 -3.48 116.42 112.60 1ggw h ASP 4 Ca -0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 1ggw h ASP 4 Cb 1.48 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.98 1ggw h ASP 4 CO -0.02 0.00 -0.22 0.47 -1.03 0.00 0.00 179.24 178.45 1ggw n ASP 5 N -2.49 -4.28 -0.02 4.15 8.00 -1.25 -4.45 116.55 116.21 1ggw n ASP 5 Ca 0.03 0.25 -0.13 0.00 0.71 0.00 0.00 54.79 55.65 1ggw n ASP 5 Cb 0.31 -2.68 -0.08 0.00 -0.02 0.00 0.00 41.12 38.66 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 0.82 0.11 1.16 -2.24 0.87 -1.93 0.12 113.55 112.46 1ggw h SER 6 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1ggw h SER 6 Cb 0.33 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1ggw h SER 6 CO 0.07 0.45 0.00 -0.81 -0.53 0.00 0.00 176.83 176.02 1ggw n PRO 7 N -4.83 0.14 -0.01 2.24 -0.04 -1.26 0.16 135.00 131.40 1ggw n PRO 7 Ca -0.07 0.15 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1ggw n PRO 7 Cb 0.22 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.92 0.00 0.14 0.54 4.01 -1.21 -4.44 117.16 114.28 1ggw n TYR 8 Ca 0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.72 1ggw n TYR 8 Cb 0.36 -0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.21 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 -0.28 -0.43 -0.12 -0.72 3.64 -1.10 -1.75 116.57 115.81 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 0.28 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1ggw h LYS 9 CO 0.00 -0.22 0.04 0.37 -2.27 0.00 0.00 179.45 177.37 1ggw h GLN 10 N -1.08 0.09 -0.93 1.90 -0.00 -0.88 -2.44 115.11 111.76 1ggw h GLN 10 Ca -0.05 -0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.65 1ggw h GLN 10 Cb 0.40 -0.02 -0.06 0.00 0.00 0.00 0.00 27.48 27.81 1ggw h GLN 10 CO 0.07 0.06 0.60 0.00 0.00 0.00 0.00 178.83 179.56 1ggw h ALA 11 N 1.07 1.25 -0.62 3.38 0.00 -0.42 -2.00 119.26 121.93 1ggw h ALA 11 Ca 0.05 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1ggw h ALA 11 Cb 0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 1ggw h ALA 11 CO -0.05 0.43 0.22 0.35 0.00 0.00 0.00 179.25 180.19 1ggw h PHE 12 N 1.13 0.38 -0.56 0.00 3.04 -0.85 -0.66 116.94 119.42 1ggw h PHE 12 Ca 0.38 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.34 1ggw h PHE 12 Cb 0.07 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 1ggw h PHE 12 CO -0.01 0.08 0.23 0.77 -2.02 0.00 0.00 178.31 177.36 1ggw h SER 13 N 0.39 0.73 -0.14 0.41 0.02 -1.02 -2.30 113.55 111.65 1ggw h SER 13 Ca 0.31 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1ggw h SER 13 Cb 0.40 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1ggw h SER 13 CO -0.32 0.65 0.08 -0.07 -1.14 0.00 0.00 176.83 176.03 1ggw h LEU 14 N 0.79 0.19 -3.16 5.07 3.38 -0.74 -1.57 115.31 119.27 1ggw h LEU 14 Ca 0.19 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.92 1ggw h LEU 14 Cb 0.15 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.71 1ggw h LEU 14 CO -0.02 0.17 0.29 0.49 0.09 0.00 0.00 178.44 179.46 1ggw n PHE 15 N -4.48 1.88 -3.83 1.13 3.72 -0.87 -4.64 117.46 110.37 1ggw n PHE 15 Ca -0.01 -1.10 -0.29 0.00 -0.05 0.00 0.00 57.45 56.01 1ggw n PHE 15 Cb 0.10 -0.61 -0.11 0.00 -0.94 0.00 0.00 39.48 37.92 1ggw n PHE 15 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ggw n ASP 16 N -0.26 3.23 0.17 4.37 2.03 -0.59 -4.79 116.55 120.71 1ggw n ASP 16 Ca 0.33 -3.23 0.13 0.00 0.52 0.00 0.00 54.79 52.54 1ggw n ASP 16 Cb 1.17 -0.78 0.56 0.00 -0.72 0.00 0.00 41.12 41.35 1ggw n ASP 16 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1ggw h ARG 17 N 5.31 0.00 0.00 -0.67 2.47 -1.84 -2.81 114.38 116.85 1ggw h ARG 17 Ca 0.16 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.76 1ggw h ARG 17 Cb 0.75 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 1ggw h ARG 17 CO 0.75 0.00 -0.98 0.45 0.56 0.00 0.00 179.97 180.74 1ggw h HIS 18 N 0.00 0.00 -0.97 3.04 3.86 -1.90 -3.48 115.15 115.70 1ggw h HIS 18 Ca 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 1ggw h HIS 18 Cb 0.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1ggw h HIS 18 CO 0.00 0.47 -0.19 0.41 0.86 0.00 0.00 177.93 179.48 1ggw n GLY 19 N 1.30 0.20 0.08 2.45 0.00 -1.06 -4.93 105.19 103.23 1ggw n GLY 19 Ca -0.04 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.82 1.02 0.00 2.61 -2.24 -1.26 -5.03 114.28 105.56 1ggw n THR 20 Ca -0.09 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1ggw n THR 20 Cb 0.52 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 2.24 1.74 3.27 3.38 0.00 -1.26 -5.11 105.19 109.45 1ggw n GLY 21 Ca -0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.16 1.10 -0.08 1.61 3.00 -1.26 -3.44 118.95 119.73 1ggw s ARG 22 Ca 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 55.73 54.23 1ggw s ARG 22 Cb 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 34.95 34.26 1ggw s ARG 22 CO 0.00 0.10 0.18 0.96 0.00 0.00 0.00 175.30 176.54 1ggw s ILE 23 N -3.18 -0.04 0.76 1.52 -4.36 -0.76 -4.69 121.20 110.44 1ggw s ILE 23 Ca 0.17 0.15 -0.08 0.00 -0.26 0.00 0.00 60.65 60.64 1ggw s ILE 23 Cb 0.01 -0.28 0.09 0.00 1.25 0.00 0.00 42.46 43.54 1ggw s ILE 23 CO 0.02 0.06 1.08 -2.16 0.24 0.00 0.00 174.94 174.18 1ggw s PRO 24 N 1.09 1.85 0.39 0.37 0.04 -1.26 -2.26 135.00 135.22 1ggw s PRO 24 Ca -0.08 -0.36 0.22 0.00 0.04 0.00 0.00 61.00 60.81 1ggw s PRO 24 Cb -0.10 -2.12 1.24 0.00 0.04 0.00 0.00 34.50 33.56 1ggw s PRO 24 CO -0.06 -1.49 1.67 1.57 0.04 0.00 0.00 177.00 178.73 1ggw h LYS 25 N -0.80 0.22 -0.36 4.56 2.10 -1.89 0.19 116.57 120.59 1ggw h LYS 25 Ca -0.43 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.19 1ggw h LYS 25 Cb 1.30 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1ggw h LYS 25 CO 0.54 0.15 0.17 1.79 -2.00 0.00 0.00 179.45 180.10 1ggw h THR 26 N 0.23 1.17 -0.19 0.07 1.35 -1.96 -1.75 112.91 111.82 1ggw h THR 26 Ca 0.74 -0.48 -0.04 0.00 -0.55 0.00 0.00 66.41 66.09 1ggw h THR 26 Cb 2.02 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1ggw h THR 26 CO -0.48 0.18 -0.03 0.28 -0.25 0.00 0.00 175.52 175.23 1ggw h SER 27 N 0.45 0.36 -0.66 5.36 0.02 -1.01 -3.03 113.55 115.04 1ggw h SER 27 Ca 0.12 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1ggw h SER 27 Cb 0.12 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1ggw h SER 27 CO -0.02 0.62 0.43 0.40 -1.14 0.00 0.00 176.83 177.13 1ggw h ILE 28 N 0.10 1.03 0.00 3.27 1.08 -1.26 -0.73 117.51 121.00 1ggw h ILE 28 Ca 0.05 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1ggw h ILE 28 Cb 0.45 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 1ggw h ILE 28 CO 0.02 0.13 0.00 0.61 -0.69 0.00 0.00 178.15 178.21 1ggw n GLY 29 N -1.46 -2.60 0.29 5.37 0.00 -0.67 -1.37 105.19 104.75 1ggw n GLY 29 Ca 0.09 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.55 -2.26 116.42 117.13 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 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1ggw h ASP 30 CO 0.00 0.02 0.07 0.25 -2.04 0.00 0.00 179.24 177.54 1ggw h LEU 31 N 0.00 0.15 -1.32 0.15 5.85 -0.86 -2.31 115.31 116.96 1ggw h LEU 31 Ca -0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1ggw h LEU 31 Cb 0.05 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ggw h LEU 31 CO 0.00 0.18 0.24 -0.07 -0.34 0.00 0.00 178.44 178.45 1ggw h LEU 32 N 0.11 0.63 -1.78 2.25 3.38 -0.63 -1.99 115.31 117.29 1ggw h LEU 32 Ca 0.04 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1ggw h LEU 32 Cb 0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1ggw h LEU 32 CO -0.01 0.54 0.23 -0.09 0.09 0.00 0.00 178.44 179.20 1ggw h ARG 33 N 0.71 0.27 -0.60 1.13 9.65 -1.20 -2.69 114.38 121.65 1ggw h ARG 33 Ca 0.18 -0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.15 1ggw h ARG 33 Cb 0.08 -0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 28.51 1ggw h ARG 33 CO -0.02 0.18 0.13 0.00 2.80 0.00 0.00 179.97 183.05 1ggw h ALA 34 N 1.81 0.70 -0.24 2.80 0.00 -1.02 -0.82 119.26 122.49 1ggw h ALA 34 Ca 0.15 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1ggw h ALA 34 Cb 0.23 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ggw h ALA 34 CO -0.03 -0.31 -0.14 0.00 0.00 0.00 0.00 179.25 178.77 1ggw n GLY 36 N -0.68 -1.91 3.25 0.00 0.00 -0.31 -4.97 105.19 100.58 1ggw n GLY 36 Ca 0.00 0.64 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 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 1.07 0.09 1.61 -1.52 -1.24 -4.81 119.66 114.86 1ggw s GLN 37 Ca 0.00 -1.46 0.04 0.00 -1.95 0.00 0.00 55.36 51.99 1ggw s GLN 37 Cb 0.00 -0.63 -0.03 0.00 -0.22 0.00 0.00 33.01 32.13 1ggw s GLN 37 CO 0.00 0.07 -0.12 0.54 -0.25 0.00 0.00 175.29 175.53 1ggw s ASN 38 N -3.18 1.57 0.19 5.90 4.22 -1.26 -3.44 114.94 118.94 1ggw s ASN 38 Ca 0.17 -0.75 0.00 0.00 -2.14 0.00 0.00 52.86 50.14 1ggw s ASN 38 Cb 0.03 -0.02 0.00 0.00 1.28 0.00 0.00 41.25 42.54 1ggw s ASN 38 CO 0.01 -0.19 0.00 -0.81 -2.04 0.00 0.00 177.10 174.07 1ggw n PRO 39 N 0.78 1.03 -3.10 3.55 -0.04 -1.26 -4.95 135.00 131.01 1ggw n PRO 39 Ca -0.18 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1ggw n PRO 39 Cb 0.57 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.06 3.35 0.47 0.52 -4.23 -1.26 -4.98 115.64 109.57 1ggw s THR 40 Ca 0.00 -0.92 0.18 0.00 -1.18 0.00 0.00 61.69 59.77 1ggw s THR 40 Cb 0.00 -3.16 0.35 0.00 1.34 0.00 0.00 72.50 71.03 1ggw s THR 40 CO 0.00 -0.07 1.98 -0.07 -0.54 0.00 0.00 174.62 175.92 1ggw h LEU 41 N 0.62 0.23 -0.75 4.79 -0.00 -1.99 0.08 115.31 118.30 1ggw h LEU 41 Ca -0.42 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.47 1ggw h LEU 41 Cb 1.27 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.86 1ggw h LEU 41 CO 0.49 0.14 0.49 0.00 -0.00 0.00 0.00 178.44 179.56 1ggw h ALA 42 N 1.72 0.95 0.34 1.53 0.00 -1.98 0.08 119.26 121.89 1ggw h ALA 42 Ca 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1ggw h ALA 42 Cb 0.72 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ggw h ALA 42 CO -0.06 0.37 -0.16 0.93 0.00 0.00 0.00 179.25 180.33 1ggw h GLU 43 N 1.01 -0.44 -0.28 0.00 3.07 -1.36 0.18 114.58 116.77 1ggw h GLU 43 Ca 0.27 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.18 1ggw h GLU 43 Cb -0.11 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1ggw h GLU 43 CO -0.06 -0.24 0.14 -0.84 -1.40 0.00 0.00 179.01 176.62 1ggw h ILE 44 N -0.54 1.00 -0.96 3.13 -2.65 -1.35 -1.61 117.51 114.53 1ggw h ILE 44 Ca -0.05 -0.10 0.05 0.00 1.03 0.00 0.00 64.86 65.79 1ggw h ILE 44 Cb 0.40 0.67 -0.06 0.00 -2.05 0.00 0.00 36.82 35.78 1ggw h ILE 44 CO 0.08 0.05 0.62 0.74 0.03 0.00 0.00 178.15 179.67 1ggw h THR 45 N 0.30 1.12 -0.97 0.16 2.02 -0.91 -1.03 112.91 113.60 1ggw h THR 45 Ca 0.11 -0.40 0.07 0.00 0.77 0.00 0.00 66.41 66.96 1ggw h THR 45 Cb 0.03 -0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 66.23 1ggw h THR 45 CO -0.08 0.21 0.63 -0.33 0.37 0.00 0.00 175.52 176.32 1ggw h GLU 46 N 1.16 1.09 -0.25 6.66 5.08 0.18 -1.57 114.58 126.93 1ggw h GLU 46 Ca 0.40 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1ggw h GLU 46 Cb 0.08 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1ggw h GLU 46 CO -0.15 0.72 0.09 0.82 -1.00 0.00 0.00 179.01 179.49 1ggw h ILE 47 N 1.12 1.19 -0.19 3.13 2.04 -0.30 -2.16 117.51 122.34 1ggw h ILE 47 Ca 0.42 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1ggw h ILE 47 Cb 0.18 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1ggw h ILE 47 CO -0.16 0.19 0.21 -0.33 0.00 0.00 0.00 178.15 178.06 1ggw h GLU 48 N 0.25 0.00 0.00 2.37 5.08 -0.62 -1.00 114.58 120.66 1ggw h GLU 48 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ggw h GLU 48 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 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 -3.80 0.00 -0.01 1.42 2.88 -0.74 -3.28 113.62 110.08 1ggw n SER 49 Ca 0.02 0.28 -0.02 0.00 -1.33 0.00 0.00 58.87 57.82 1ggw n SER 49 Cb 0.33 -0.35 -0.01 0.00 -0.75 0.00 0.00 64.21 63.43 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 -1.35 0.13 -3.98 2.46 -2.24 -0.39 -5.04 114.28 103.87 1ggw n THR 50 Ca 0.03 -0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 1ggw n THR 50 Cb 0.06 -1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 67.13 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 -5.68 4.19 0.44 3.22 2.01 -1.15 -5.06 118.68 116.66 1ggw s LEU 51 Ca -0.03 0.32 -0.15 0.00 0.01 0.00 0.00 54.13 54.28 1ggw s LEU 51 Cb 0.01 -2.29 -0.13 0.00 0.01 0.00 0.00 46.19 43.79 1ggw s LEU 51 CO 0.05 0.32 -0.12 -2.65 1.01 0.00 0.00 176.35 174.96 1ggw n PRO 52 N 1.44 0.00 0.00 1.29 -0.02 -1.26 -4.52 135.00 131.93 1ggw n PRO 52 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1ggw n PRO 52 Cb 0.53 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.17 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 -1.30 0.00 -2.28 3.55 0.00 -1.26 -4.11 120.51 115.11 1ggw n ALA 53 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 1ggw n ALA 53 Cb 0.40 0.21 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.10 4.06 -0.83 0.00 2.02 -1.26 -4.83 118.70 115.75 1ggw s GLU 54 Ca 0.00 1.66 -0.19 0.00 0.02 0.00 0.00 54.97 56.46 1ggw s GLU 54 Cb 0.00 -3.89 0.13 0.00 0.10 0.00 0.00 34.13 30.47 1ggw s GLU 54 CO 0.00 -0.95 1.01 0.08 0.02 0.00 0.00 175.26 175.41 1ggw s VAL 55 N 4.16 4.76 0.92 2.63 1.01 -0.96 -4.81 120.40 128.11 1ggw s VAL 55 Ca 0.62 -1.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1ggw s VAL 55 Cb -0.23 -4.69 0.19 0.00 0.00 0.00 0.00 36.38 31.64 1ggw s VAL 55 CO 0.22 -1.40 1.27 1.51 0.00 0.00 0.00 175.10 176.70 1ggw s ASP 56 N 3.50 3.32 0.28 3.32 1.47 -1.26 -1.83 116.67 125.48 1ggw s ASP 56 Ca 0.27 0.17 -0.04 0.00 1.18 0.00 0.00 52.55 54.13 1ggw s ASP 56 Cb -0.10 -0.27 0.58 0.00 -0.34 0.00 0.00 42.92 42.79 1ggw s ASP 56 CO -0.04 -2.59 1.58 0.24 0.68 0.00 0.00 175.17 175.05 1ggw h MET 57 N -1.46 0.02 -0.10 2.11 2.86 -1.96 0.18 114.93 116.59 1ggw h MET 57 Ca -0.43 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.19 1ggw h MET 57 Cb 1.24 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 1ggw h MET 57 CO 0.39 0.02 -0.02 1.49 1.06 0.00 0.00 176.91 179.84 1ggw h GLU 58 N 0.03 0.18 -0.01 1.72 4.81 -1.92 -1.40 114.58 117.99 1ggw h GLU 58 Ca 0.51 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1ggw h GLU 58 Cb 0.95 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1ggw h GLU 58 CO -0.89 0.49 -0.11 1.96 -0.73 0.00 0.00 179.01 179.72 1ggw h GLN 59 N -0.13 -0.18 -0.07 1.92 1.08 -1.32 0.22 115.11 116.63 1ggw h GLN 59 Ca 0.03 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1ggw h GLN 59 Cb 0.41 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1ggw h GLN 59 CO 0.01 -0.12 0.03 0.35 -0.95 0.00 0.00 178.83 178.15 1ggw h PHE 60 N -0.19 0.10 -0.37 2.96 3.57 -0.80 -2.71 116.94 119.50 1ggw h PHE 60 Ca 0.05 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ggw h PHE 60 Cb 0.25 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1ggw h PHE 60 CO -0.18 0.19 0.18 -0.07 -2.23 0.00 0.00 178.31 176.20 1ggw h LEU 61 N -0.02 0.45 0.26 0.59 3.38 -1.10 -0.35 115.31 118.51 1ggw h LEU 61 Ca 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ggw h LEU 61 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ggw h LEU 61 CO -0.00 0.38 -0.12 -0.61 0.09 0.00 0.00 178.44 178.18 1ggw h GLN 62 N 0.51 -0.33 -0.28 1.13 -0.00 -0.28 0.19 115.11 116.05 1ggw h GLN 62 Ca 0.13 0.02 -0.16 0.00 -0.00 0.00 0.00 58.65 58.64 1ggw h GLN 62 Cb 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.60 1ggw h GLN 62 CO -0.02 -0.17 -0.46 -0.39 0.00 0.00 0.00 178.83 177.78 1ggw h VAL 63 N -0.41 1.29 -0.12 2.39 -1.51 -1.31 -3.15 116.25 113.43 1ggw h VAL 63 Ca -0.04 -1.66 -0.01 0.00 -1.23 0.00 0.00 66.70 63.77 1ggw h VAL 63 Cb 0.31 1.57 -0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1ggw h VAL 63 CO 0.06 0.53 0.03 0.25 -1.23 0.00 0.00 177.57 177.21 1ggw h LEU 64 N 0.58 0.17 -5.32 4.19 5.85 -0.99 -3.17 115.31 116.63 1ggw h LEU 64 Ca 0.03 -0.22 -0.72 0.00 0.84 0.00 0.00 57.88 57.82 1ggw h LEU 64 Cb 1.02 -0.05 -0.23 0.00 0.37 0.00 0.00 40.66 41.78 1ggw h LEU 64 CO 0.10 0.34 1.11 0.59 -0.34 0.00 0.00 178.44 180.24 1ggw n ASN 65 N -4.87 7.33 0.16 1.25 3.02 0.67 -4.68 115.26 118.15 1ggw n ASN 65 Ca -0.06 -3.55 -0.14 0.00 -0.03 0.00 0.00 54.58 50.80 1ggw n ASN 65 Cb 0.15 -1.18 -0.08 0.00 -0.61 0.00 0.00 39.78 38.06 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 3.56 -0.32 -0.85 3.52 3.08 -1.52 -2.71 114.38 119.14 1ggw h ARG 66 Ca 0.54 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.61 1ggw h ARG 66 Cb 0.30 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1ggw h ARG 66 CO 1.25 -0.20 0.00 -0.35 -1.07 0.00 0.00 179.97 179.60 1ggw n PRO 67 N -5.22 1.51 -2.61 0.04 -0.04 -1.26 -4.95 135.00 122.47 1ggw n PRO 67 Ca -0.09 -0.43 -0.05 0.00 -0.04 0.00 0.00 63.50 62.88 1ggw n PRO 67 Cb 0.16 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 32.03 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 0.06 -1.15 0.00 3.54 4.13 -1.02 -5.00 115.26 115.82 1ggw n ASN 68 Ca 0.04 1.37 0.00 0.00 1.68 0.00 0.00 54.58 57.66 1ggw n ASN 68 Cb 0.35 -5.31 0.00 0.00 -1.54 0.00 0.00 39.78 33.28 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 1.60 1.43 4.01 7.41 0.00 -1.26 -5.07 105.19 113.32 1ggw n GLY 69 Ca -0.38 -2.16 -0.18 0.00 0.00 0.00 0.00 46.02 43.29 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 -1.53 2.22 -1.03 1.61 0.08 -1.26 -4.58 117.98 113.49 1ggw s PHE 70 Ca 0.00 -0.54 -0.11 0.00 0.12 0.00 0.00 56.93 56.40 1ggw s PHE 70 Cb 0.00 -2.30 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 1ggw s PHE 70 CO 0.00 -0.71 0.82 -3.47 -0.10 0.00 0.00 175.22 171.77 1ggw n ASP 71 N -2.00 -6.20 0.00 1.36 2.03 -1.26 -4.78 116.55 105.70 1ggw n ASP 71 Ca 0.11 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.66 1ggw n ASP 71 Cb 0.60 -4.31 0.00 0.00 -0.72 0.00 0.00 41.12 36.69 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1ggw n MET 72 N -3.38 0.00 -0.26 -0.67 1.56 -1.26 -5.00 117.12 108.11 1ggw n MET 72 Ca -0.08 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.42 1ggw n MET 72 Cb 0.59 0.00 0.20 0.00 2.15 0.00 0.00 33.22 36.16 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 0.27 0.00 2.12 0.11 -1.83 -3.45 132.00 129.22 1ggw h PRO 73 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ggw h PRO 73 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1ggw h PRO 73 CO 0.00 0.18 0.00 0.41 -0.21 0.00 0.00 178.00 178.38 1ggw n GLY 74 N -1.35 -0.27 3.72 -0.55 0.00 -1.26 -5.02 105.19 100.45 1ggw n GLY 74 Ca 0.15 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 7.38 0.28 1.61 1.11 -1.26 -4.96 116.67 120.83 1ggw s ASP 75 Ca 0.00 1.66 -0.02 0.00 0.18 0.00 0.00 52.55 54.37 1ggw s ASP 75 Cb 0.00 -2.55 0.42 0.00 1.07 0.00 0.00 42.92 41.85 1ggw s ASP 75 CO 0.00 -0.13 1.93 -0.65 1.18 0.00 0.00 175.17 177.50 1ggw h PRO 76 N 6.11 1.13 -0.33 8.23 0.11 -1.99 -1.96 132.00 143.30 1ggw h PRO 76 Ca -0.42 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1ggw h PRO 76 Cb 1.21 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1ggw h PRO 76 CO 0.73 0.75 -0.02 0.93 -0.21 0.00 0.00 178.00 180.18 1ggw h GLU 77 N 1.16 0.51 -0.18 1.05 5.08 -1.93 -1.03 114.58 119.25 1ggw h GLU 77 Ca 0.37 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1ggw h GLU 77 Cb 0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ggw h GLU 77 CO -0.11 0.55 0.04 0.93 -1.00 0.00 0.00 179.01 179.42 1ggw h GLU 78 N 0.49 0.29 -0.56 2.33 4.39 -1.76 -0.73 114.58 119.02 1ggw h GLU 78 Ca 0.10 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 1ggw h GLU 78 Cb 0.35 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1ggw h GLU 78 CO 0.01 0.43 0.04 0.27 -1.16 0.00 0.00 179.01 178.60 1ggw h PHE 79 N 0.10 1.04 -0.50 4.33 -5.15 -1.31 -2.61 116.94 112.84 1ggw h PHE 79 Ca 0.06 -0.17 -0.01 0.00 -0.20 0.00 0.00 57.97 57.65 1ggw h PHE 79 Cb 0.27 -0.28 -0.02 0.00 0.22 0.00 0.00 35.95 36.14 1ggw h PHE 79 CO 0.01 0.93 0.27 0.28 -2.00 0.00 0.00 178.31 177.80 1ggw h VAL 80 N 0.85 1.18 -0.77 0.88 2.07 -1.09 -2.30 116.25 117.07 1ggw h VAL 80 Ca 0.16 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1ggw h VAL 80 Cb 0.49 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1ggw h VAL 80 CO 0.02 0.19 0.51 0.50 0.02 0.00 0.00 177.57 178.81 1ggw h LYS 81 N 0.67 1.02 -0.26 1.57 1.63 -1.02 0.06 116.57 120.24 1ggw h LYS 81 Ca 0.18 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1ggw h LYS 81 Cb 0.06 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 1ggw h LYS 81 CO -0.03 0.68 0.13 0.78 -3.45 0.00 0.00 179.45 177.57 1ggw h GLY 82 N 1.05 0.40 2.00 5.01 0.00 -1.22 -2.70 103.07 107.61 1ggw h GLY 82 Ca 0.28 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 1ggw h GLY 82 CO -0.06 0.18 -0.39 0.74 0.00 0.00 0.00 176.54 177.01 1ggw h PHE 83 N 0.29 0.00 0.00 5.60 -1.00 -1.19 -2.56 116.94 118.08 1ggw h PHE 83 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1ggw h PHE 83 Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1ggw h PHE 83 CO -0.03 0.39 0.00 0.94 -1.61 0.00 0.00 178.31 178.01 1ggw n GLN 84 N -3.99 0.94 -0.33 1.51 -0.06 -0.01 -3.65 117.38 111.78 1ggw n GLN 84 Ca -0.02 0.00 0.15 0.00 -2.00 0.00 0.00 57.00 55.13 1ggw n GLN 84 Cb 0.43 -1.40 0.37 0.00 -4.06 0.00 0.00 30.24 25.58 1ggw n GLN 84 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 1ggw h VAL 85 N 0.00 0.68 0.00 1.69 3.04 -1.22 -3.19 116.25 117.25 1ggw h VAL 85 Ca 0.00 -0.23 -0.03 0.00 -1.01 0.00 0.00 66.70 65.43 1ggw h VAL 85 Cb 0.00 -0.05 -0.06 0.00 -2.01 0.00 0.00 31.29 29.17 1ggw h VAL 85 CO 0.00 0.12 -0.51 0.49 -1.01 0.00 0.00 177.57 176.66 1ggw n PHE 86 N -4.72 0.00 -2.82 3.17 3.72 -1.26 -4.91 117.46 110.65 1ggw n PHE 86 Ca 0.23 -0.08 -0.17 0.00 -0.05 0.00 0.00 57.45 57.38 1ggw n PHE 86 Cb 0.62 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1ggw n PHE 86 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ggw n ASP 87 N 0.07 2.19 0.20 4.37 2.03 -1.20 -4.93 116.55 119.27 1ggw n ASP 87 Ca 0.00 -3.09 -0.14 0.00 0.52 0.00 0.00 54.79 52.08 1ggw n ASP 87 Cb 0.74 -0.55 -0.08 0.00 -0.72 0.00 0.00 41.12 40.51 1ggw n ASP 87 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ggw h LYS 88 N 2.93 -0.46 0.00 -0.67 1.79 -1.88 -3.38 116.57 114.90 1ggw h LYS 88 Ca 0.05 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1ggw h LYS 88 Cb 0.99 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1ggw h LYS 88 CO 0.60 -0.20 -0.09 0.22 -1.08 0.00 0.00 179.45 178.90 1ggw h ASP 89 N -0.65 0.00 -5.54 0.86 1.82 -1.95 -3.50 116.42 107.46 1ggw h ASP 89 Ca -0.05 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.53 1ggw h ASP 89 Cb 0.46 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1ggw h ASP 89 CO 0.08 0.42 -0.21 0.00 -1.61 0.00 0.00 179.24 177.93 1ggw n ALA 90 N -2.75 -2.59 0.10 -0.78 0.00 -1.26 -4.96 120.51 108.26 1ggw n ALA 90 Ca -0.01 0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.31 1ggw n ALA 90 Cb 0.05 -1.69 -0.15 0.00 0.00 0.00 0.00 19.45 17.66 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 0.58 1.28 -0.07 0.00 1.03 -1.96 -3.43 112.91 110.34 1ggw h THR 91 Ca -0.08 -2.61 -0.22 0.00 -0.01 0.00 0.00 66.41 63.48 1ggw h THR 91 Cb 1.05 3.03 -0.17 0.00 -1.07 0.00 0.00 68.15 71.00 1ggw h THR 91 CO 0.30 0.78 -0.40 0.61 -0.01 0.00 0.00 175.52 176.80 1ggw n GLY 92 N 1.73 1.41 3.65 2.99 0.00 -1.26 -5.05 105.19 108.65 1ggw n GLY 92 Ca -0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.04 0.14 -0.19 1.61 0.23 -1.26 -4.14 119.30 115.65 1ggw s MET 93 Ca 0.21 0.19 -0.02 0.00 -1.03 0.00 0.00 55.69 55.04 1ggw s MET 93 Cb 0.41 0.06 -0.11 0.00 -1.53 0.00 0.00 34.83 33.66 1ggw s MET 93 CO -0.08 -0.02 -0.20 1.51 -2.03 0.00 0.00 175.02 174.20 1ggw n ILE 94 N 2.19 1.07 -2.13 3.16 0.00 -1.26 -4.70 119.36 117.68 1ggw n ILE 94 Ca -0.13 -0.36 -0.04 0.00 0.00 0.00 0.00 62.75 62.23 1ggw n ILE 94 Cb 0.57 -1.37 0.00 0.00 0.00 0.00 0.00 39.64 38.84 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 2.32 -0.97 0.39 4.50 0.00 -1.17 -4.71 105.19 105.55 1ggw n GLY 95 Ca -0.35 0.51 0.28 0.00 0.00 0.00 0.00 46.02 46.46 1ggw n GLY 95 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ggw h VAL 96 N 0.90 0.29 -0.87 1.61 2.07 0.20 -1.07 116.25 119.39 1ggw h VAL 96 Ca 0.00 -0.09 0.23 0.00 0.82 0.00 0.00 66.70 67.66 1ggw h VAL 96 Cb 0.49 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 30.12 1ggw h VAL 96 CO 0.09 0.05 0.19 1.23 0.02 0.00 0.00 177.57 179.15 1ggw h GLY 97 N 0.26 1.28 1.31 2.17 0.00 -1.68 0.48 103.07 106.89 1ggw h GLY 97 Ca 0.73 -0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.73 1ggw h GLY 97 CO -0.47 -0.36 -1.46 1.05 0.00 0.00 0.00 176.54 175.30 1ggw h GLU 98 N 0.18 0.51 -0.82 4.80 4.11 -1.50 -2.40 114.58 119.46 1ggw h GLU 98 Ca 0.53 -0.86 -0.03 0.00 0.07 0.00 0.00 59.36 59.07 1ggw h GLU 98 Cb 1.06 0.32 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 1ggw h GLU 98 CO -0.67 1.41 0.38 1.37 0.07 0.00 0.00 179.01 181.57 1ggw h LEU 99 N 0.14 1.09 -0.20 3.06 8.10 -1.10 -2.48 115.31 123.91 1ggw h LEU 99 Ca -0.24 -0.14 -0.22 0.00 0.11 0.00 0.00 57.88 57.38 1ggw h LEU 99 Cb 2.15 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 42.09 1ggw h LEU 99 CO 0.27 0.93 -0.91 0.08 -4.11 0.00 0.00 178.44 174.70 1ggw h ARG 100 N 1.17 0.42 -0.81 0.17 -0.00 -0.19 -2.71 114.38 112.42 1ggw h ARG 100 Ca 0.28 -0.43 0.05 0.00 -0.00 0.00 0.00 59.98 59.88 1ggw h ARG 100 Cb 0.14 0.12 -0.05 0.00 -0.00 0.00 0.00 29.97 30.18 1ggw h ARG 100 CO -0.03 1.09 0.53 -0.92 -0.00 0.00 0.00 179.97 180.64 1ggw h TYR 101 N 0.24 0.93 0.06 4.08 3.20 -1.14 0.35 116.97 124.70 1ggw h TYR 101 Ca -0.07 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.65 1ggw h TYR 101 Cb 1.54 -0.31 0.02 0.00 1.54 0.00 0.00 36.73 39.52 1ggw h TYR 101 CO 0.06 0.51 -0.72 0.28 -1.64 0.00 0.00 178.16 176.65 1ggw h VAL 102 N 0.94 1.45 -0.20 1.81 2.07 -1.47 -3.29 116.25 117.56 1ggw h VAL 102 Ca 0.34 -2.27 -0.11 0.00 0.82 0.00 0.00 66.70 65.49 1ggw h VAL 102 Cb 0.14 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1ggw h VAL 102 CO -0.11 0.65 -0.34 -0.07 0.02 0.00 0.00 177.57 177.73 1ggw h LEU 103 N -0.18 0.43 -1.53 2.57 3.38 -1.16 -2.97 115.31 115.85 1ggw h LEU 103 Ca -0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1ggw h LEU 103 Cb 1.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1ggw h LEU 103 CO 0.14 0.74 -0.06 0.71 0.09 0.00 0.00 178.44 180.06 1ggw h THR 104 N 0.36 1.14 0.00 0.22 1.35 -0.41 -1.86 112.91 113.71 1ggw h THR 104 Ca 0.04 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1ggw h THR 104 Cb 0.76 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1ggw h THR 104 CO 0.06 0.18 0.00 0.28 -0.25 0.00 0.00 175.52 175.79 1ggw h SER 105 N 0.23 0.00 0.41 5.36 0.02 -1.58 -2.20 113.55 115.79 1ggw h SER 105 Ca 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1ggw h SER 105 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1ggw h SER 105 CO 0.01 0.00 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.43 1ggw h LEU 106 N 0.00 -0.47 -5.00 5.07 3.38 -1.43 -3.45 115.31 113.41 1ggw h LEU 106 Ca 0.00 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1ggw h LEU 106 Cb 0.35 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.10 1ggw h LEU 106 CO 0.00 -0.13 -0.08 0.61 0.09 0.00 0.00 178.44 178.93 1ggw n GLY 107 N 0.15 0.00 3.31 0.83 0.00 -1.22 -5.00 105.19 103.26 1ggw n GLY 107 Ca -0.07 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.29 -5.56 0.00 1.61 4.71 -0.83 -5.03 120.64 115.25 1ggw n GLU 108 Ca -0.12 0.82 0.00 0.00 -0.01 0.00 0.00 57.16 57.85 1ggw n GLU 108 Cb 0.74 -5.73 0.00 0.00 -1.01 0.00 0.00 31.44 25.44 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ggw n LYS 109 N -3.85 2.84 -1.78 3.49 3.00 -1.24 -4.64 118.16 115.97 1ggw n LYS 109 Ca -0.24 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.72 1ggw n LYS 109 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.63 1ggw n LYS 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ggw n LEU 110 N 0.00 3.70 0.00 3.14 4.77 -1.26 -4.88 117.00 122.48 1ggw n LEU 110 Ca 0.00 -3.17 -0.14 0.00 -0.03 0.00 0.00 56.01 52.67 1ggw n LEU 110 Cb 0.00 -1.52 0.12 0.00 -2.33 0.00 0.00 43.42 39.69 1ggw n LEU 110 CO 0.00 -1.06 0.23 -1.54 -1.33 0.00 0.00 177.39 173.69 1ggw n SER 111 N 11.23 -2.03 -0.27 -1.43 3.41 -1.26 -4.47 113.62 118.80 1ggw n SER 111 Ca 0.47 -0.66 0.22 0.00 -0.26 0.00 0.00 58.87 58.64 1ggw n SER 111 Cb 0.44 -0.45 0.54 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.13 0.36 0.17 4.04 -1.07 -1.94 -1.73 115.58 113.28 1ggw h ASN 112 Ca -0.18 0.05 -0.01 0.00 0.07 0.00 0.00 56.30 56.23 1ggw h ASN 112 Cb 0.58 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.82 1ggw h ASN 112 CO 0.12 0.12 -0.08 -0.08 0.07 0.00 0.00 177.43 177.57 1ggw h GLU 113 N 0.34 -0.22 0.03 4.14 4.81 -1.97 0.31 114.58 122.03 1ggw h GLU 113 Ca 0.51 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.78 1ggw h GLU 113 Cb 1.39 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.79 1ggw h GLU 113 CO -0.19 0.04 -0.15 1.49 -0.73 0.00 0.00 179.01 179.47 1ggw h GLU 114 N -0.47 -0.26 0.00 1.92 4.57 -1.63 -1.80 114.58 116.92 1ggw h GLU 114 Ca -0.02 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1ggw h GLU 114 Cb 0.36 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1ggw h GLU 114 CO 0.04 -0.17 -0.23 0.00 -1.18 0.00 0.00 179.01 177.47 1ggw h MET 115 N -0.27 0.00 -0.41 1.92 -0.00 -1.41 -2.75 114.93 112.01 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 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.89 1ggw h MET 115 CO -0.12 0.23 0.23 -0.44 -0.00 0.00 0.00 176.91 176.80 1ggw h ASP 116 N 0.00 0.36 -0.30 -0.10 5.19 0.50 0.47 116.42 122.55 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 0.52 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1ggw h ASP 116 CO 0.03 0.26 -0.04 -0.33 -3.12 0.00 0.00 179.24 176.04 1ggw h GLU 117 N 0.47 0.55 -0.94 3.56 4.39 -1.28 -1.40 114.58 119.93 1ggw h GLU 117 Ca 0.17 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ggw h GLU 117 Cb 0.03 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 1ggw h GLU 117 CO -0.09 0.73 0.58 1.37 -1.16 0.00 0.00 179.01 180.44 1ggw h LEU 118 N 0.33 1.12 -0.91 1.33 8.10 -1.19 -2.02 115.31 122.07 1ggw h LEU 118 Ca 0.08 -0.06 -0.10 0.00 0.11 0.00 0.00 57.88 57.90 1ggw h LEU 118 Cb 0.51 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 1ggw h LEU 118 CO 0.02 0.85 -0.33 -0.07 -4.11 0.00 0.00 178.44 174.81 1ggw h LEU 119 N 1.30 0.41 -1.03 0.17 3.38 0.08 -2.65 115.31 116.97 1ggw h LEU 119 Ca 0.34 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1ggw h LEU 119 Cb -0.07 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1ggw h LEU 119 CO -0.07 0.72 0.38 0.11 0.09 0.00 0.00 178.44 179.67 1ggw h LYS 120 N 0.34 1.06 0.01 1.13 1.57 -0.53 -3.09 116.57 117.06 1ggw h LYS 120 Ca 0.04 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1ggw h LYS 120 Cb 0.75 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1ggw h LYS 120 CO 0.06 0.81 -0.00 0.78 -0.57 0.00 0.00 179.45 180.52 1ggw h GLY 121 N 1.10 -0.01 -6.20 3.86 0.00 -1.24 -3.42 103.07 97.15 1ggw h GLY 121 Ca 0.26 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.99 1ggw h GLY 121 CO -0.04 -0.00 0.29 0.14 0.00 0.00 0.00 176.54 176.93 1ggw s VAL 122 N -4.22 4.92 -1.00 4.60 1.01 -1.02 -4.97 120.40 119.72 1ggw s VAL 122 Ca -0.16 1.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.98 1ggw s VAL 122 Cb 0.02 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 1ggw s VAL 122 CO 0.67 -0.03 2.15 -0.81 0.00 0.00 0.00 175.10 177.07 1ggw n PRO 123 N 5.86 2.14 -3.94 2.72 -0.04 -1.26 -4.75 135.00 135.72 1ggw n PRO 123 Ca 0.02 -1.79 -0.20 0.00 -0.04 0.00 0.00 63.50 61.48 1ggw n PRO 123 Cb 0.48 -2.74 -0.06 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 4.86 0.00 -4.80 0.52 0.24 -1.26 -5.12 118.33 112.77 1ggw n VAL 124 Ca 0.51 -1.94 -0.33 0.00 -2.04 0.00 0.00 64.34 60.54 1ggw n VAL 124 Cb 0.26 0.72 -0.16 0.00 -1.47 0.00 0.00 33.84 33.19 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 -3.25 3.08 0.00 7.34 1.02 -1.26 -4.60 119.74 122.07 1ggw s LYS 125 Ca 0.18 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1ggw s LYS 125 Cb 0.01 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1ggw s LYS 125 CO 0.13 0.05 0.00 -3.47 -0.92 0.00 0.00 175.35 171.14 1ggw n ASP 126 N 3.89 -0.18 -0.98 2.83 2.03 -1.26 -3.57 116.55 119.32 1ggw n ASP 126 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1ggw n ASP 126 Cb 0.52 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 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 0.45 3.47 0.27 0.00 -1.26 -0.46 105.19 105.65 1ggw n GLY 127 Ca 0.00 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.93 3.45 0.00 1.61 0.00 -1.23 -1.63 119.30 117.57 1ggw s MET 128 Ca 0.00 -0.65 0.16 0.00 0.00 0.00 0.00 55.69 55.20 1ggw s MET 128 Cb 0.00 -3.59 0.26 0.00 0.00 0.00 0.00 34.83 31.50 1ggw s MET 128 CO 0.00 -0.38 1.09 0.28 0.00 0.00 0.00 175.02 176.01 1ggw n VAL 129 N 5.00 0.00 -1.85 10.11 0.31 -1.26 -4.78 118.33 125.86 1ggw n VAL 129 Ca -0.14 -0.61 -0.19 0.00 -0.01 0.00 0.00 64.34 63.39 1ggw n VAL 129 Cb 0.50 0.79 -0.06 0.00 -0.91 0.00 0.00 33.84 34.16 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 -5.38 -3.98 4.52 5.15 -1.26 -2.74 115.26 111.87 1ggw n ASN 130 Ca 0.01 0.29 -0.29 0.00 -0.60 0.00 0.00 54.58 54.00 1ggw n ASN 130 Cb 0.97 -4.52 -0.01 0.00 -0.53 0.00 0.00 39.78 35.69 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ggw n TYR 131 N -3.02 -1.85 0.04 1.20 4.19 -1.26 -4.72 117.16 111.74 1ggw n TYR 131 Ca -0.20 0.81 0.00 0.00 3.31 0.00 0.00 57.90 61.81 1ggw n TYR 131 Cb 0.64 -3.68 0.00 0.00 0.49 0.00 0.00 39.34 36.79 1ggw n TYR 131 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 1ggw n HIS 132 N -4.44 -0.00 -0.22 2.98 -0.00 -1.11 -4.57 115.22 107.86 1ggw n HIS 132 Ca -0.14 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.16 1ggw n HIS 132 Cb 0.60 0.00 0.41 0.00 -0.12 0.00 0.00 29.99 30.89 1ggw n HIS 132 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1ggw h ASP 133 N 0.00 0.57 0.61 0.26 3.58 -1.90 0.49 116.42 120.03 1ggw h ASP 133 Ca 0.00 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 1ggw h ASP 133 Cb 0.24 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.21 1ggw h ASP 133 CO 0.00 0.31 -0.29 -0.26 -2.88 0.00 0.00 179.24 176.11 1ggw h PHE 134 N 0.61 -0.76 -0.21 0.28 0.04 -1.90 -2.75 116.94 112.26 1ggw h PHE 134 Ca 0.40 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.12 1ggw h PHE 134 Cb 0.69 0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 1ggw h PHE 134 CO -0.00 -0.47 -0.00 0.28 -0.60 0.00 0.00 178.31 177.51 1ggw h VAL 135 N -1.20 1.14 0.26 -0.55 2.07 -1.76 -1.76 116.25 114.45 1ggw h VAL 135 Ca -0.08 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1ggw h VAL 135 Cb 0.63 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ggw h VAL 135 CO 0.14 0.18 -0.20 -0.61 0.02 0.00 0.00 177.57 177.09 1ggw h GLN 136 N 0.30 -0.45 0.00 1.57 4.15 -0.06 -0.40 115.11 120.22 1ggw h GLN 136 Ca 0.07 0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 1ggw h GLN 136 Cb 0.21 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1ggw h GLN 136 CO 0.00 -0.30 -0.39 1.98 -1.93 0.00 0.00 178.83 178.20 1ggw h MET 137 N -0.47 0.00 -0.51 1.69 4.05 -1.33 -2.99 114.93 115.37 1ggw h MET 137 Ca -0.01 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1ggw h MET 137 Cb 0.42 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 1ggw h MET 137 CO -0.01 0.39 0.16 0.82 0.23 0.00 0.00 176.91 178.49 1ggw h ILE 138 N 0.00 1.23 -1.45 1.77 1.08 -0.80 -3.04 117.51 116.31 1ggw h ILE 138 Ca -0.00 -0.77 -0.63 0.00 -0.39 0.00 0.00 64.86 63.07 1ggw h ILE 138 Cb 0.71 0.78 -0.23 0.00 -3.07 0.00 0.00 36.82 35.01 1ggw h ILE 138 CO 0.05 0.28 0.76 0.18 -0.69 0.00 0.00 178.15 178.73 1ggw n LEU 139 N -4.50 7.10 -3.77 1.44 4.32 -0.20 -4.77 117.00 116.63 1ggw n LEU 139 Ca 0.02 -4.39 -0.40 0.00 -0.02 0.00 0.00 56.01 51.22 1ggw n LEU 139 Cb 0.19 -1.12 0.00 0.00 -1.62 0.00 0.00 43.42 40.88 1ggw n LEU 139 CO 0.39 1.68 1.06 0.00 -1.22 0.00 0.00 177.39 179.30 1ggw n ALA 140 N -0.02 5.32 -0.46 -1.18 0.00 -1.15 -4.99 120.51 118.03 1ggw n ALA 140 Ca 0.51 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 49.21 1ggw n ALA 140 Cb 0.42 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59