#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 2.73 0.31 0.44 5.66 -1.26 -4.43 114.28 117.73 1ggw n THR 3 Ca 0.00 -2.37 0.05 0.00 -3.05 0.00 0.00 64.05 58.68 1ggw n THR 3 Cb 0.00 -0.35 0.05 0.00 -1.55 0.00 0.00 70.33 68.48 1ggw n THR 3 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ggw n ASP 4 N -0.99 1.90 -4.55 1.09 9.92 -1.26 -4.93 116.55 117.73 1ggw n ASP 4 Ca 0.39 -1.47 -0.40 0.00 -0.53 0.00 0.00 54.79 52.79 1ggw n ASP 4 Cb 1.21 -0.03 -0.03 0.00 -0.64 0.00 0.00 41.12 41.64 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ggw s ASP 5 N -0.80 6.09 0.05 -2.24 1.01 -1.26 -4.87 116.67 114.65 1ggw s ASP 5 Ca 0.12 -0.62 -0.21 0.00 0.71 0.00 0.00 52.55 52.55 1ggw s ASP 5 Cb 0.08 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.32 1ggw s ASP 5 CO 0.12 -1.87 1.45 -1.28 0.21 0.00 0.00 175.17 173.81 1ggw h SER 6 N 10.61 0.28 1.29 0.27 0.87 -1.95 0.26 113.55 125.18 1ggw h SER 6 Ca -0.14 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1ggw h SER 6 Cb 1.05 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1ggw h SER 6 CO 1.31 0.56 0.00 -0.81 -0.53 0.00 0.00 176.83 177.36 1ggw n PRO 7 N -4.72 0.17 -0.01 2.24 -0.04 -1.26 0.14 135.00 131.53 1ggw n PRO 7 Ca -0.05 0.15 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1ggw n PRO 7 Cb 0.24 -1.71 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1ggw n PRO 7 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ggw n TYR 8 N -2.01 0.00 0.14 0.54 4.01 -1.21 -4.48 117.16 114.14 1ggw n TYR 8 Ca 0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.73 1ggw n TYR 8 Cb 0.39 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 1ggw n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1ggw h LYS 9 N -0.28 -0.40 -0.26 -0.72 1.79 -1.16 -1.71 116.57 113.82 1ggw h LYS 9 Ca 0.00 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1ggw h LYS 9 Cb 0.28 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1ggw h LYS 9 CO 0.00 -0.27 0.11 0.37 -1.08 0.00 0.00 179.45 178.58 1ggw h GLN 10 N -0.97 0.24 -0.62 3.15 5.75 -0.65 -2.52 115.11 119.49 1ggw h GLN 10 Ca -0.04 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1ggw h GLN 10 Cb 0.32 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 1ggw h GLN 10 CO 0.07 0.16 0.37 0.00 -2.65 0.00 0.00 178.83 176.78 1ggw h ALA 11 N 1.15 0.81 -0.62 3.38 0.00 -0.45 -2.22 119.26 121.31 1ggw h ALA 11 Ca 0.11 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1ggw h ALA 11 Cb 0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 1ggw h ALA 11 CO -0.09 0.09 0.16 0.35 0.00 0.00 0.00 179.25 179.75 1ggw h PHE 12 N 0.71 0.26 -0.62 0.00 3.04 -0.89 0.18 116.94 119.61 1ggw h PHE 12 Ca 0.26 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.24 1ggw h PHE 12 Cb 0.07 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.53 1ggw h PHE 12 CO -0.06 -0.00 0.38 1.03 -2.02 0.00 0.00 178.31 177.64 1ggw h SER 13 N 0.30 0.74 -0.02 0.41 0.87 -1.05 -1.77 113.55 113.02 1ggw h SER 13 Ca 0.32 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1ggw h SER 13 Cb 0.47 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1ggw h SER 13 CO -0.39 0.56 0.02 -0.07 -0.53 0.00 0.00 176.83 176.41 1ggw h LEU 14 N 0.86 0.00 -2.16 2.23 3.38 -0.55 -1.21 115.31 117.85 1ggw h LEU 14 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ggw h LEU 14 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ggw h LEU 14 CO -0.04 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.98 1ggw n PHE 15 N -4.32 0.95 -3.43 1.13 3.72 -0.67 -4.72 117.46 110.13 1ggw n PHE 15 Ca -0.03 -0.33 -0.44 0.00 -0.05 0.00 0.00 57.45 56.60 1ggw n PHE 15 Cb 0.11 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.31 1ggw n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ggw s ASP 16 N -0.35 6.27 0.32 4.37 1.11 -0.46 -4.85 116.67 123.08 1ggw s ASP 16 Ca 0.25 -2.54 0.01 0.00 0.18 0.00 0.00 52.55 50.45 1ggw s ASP 16 Cb 0.19 -2.12 0.55 0.00 1.07 0.00 0.00 42.92 42.61 1ggw s ASP 16 CO 0.07 -0.58 1.93 0.03 1.18 0.00 0.00 175.17 177.81 1ggw h ARG 17 N 7.83 0.81 0.12 8.23 2.47 -1.87 -2.98 114.38 128.98 1ggw h ARG 17 Ca -0.00 -0.10 -0.33 0.00 -1.26 0.00 0.00 59.98 58.29 1ggw h ARG 17 Cb 1.03 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.18 1ggw h ARG 17 CO 0.79 0.62 -1.72 0.45 0.56 0.00 0.00 179.97 180.67 1ggw h HIS 18 N 0.81 0.46 -1.12 3.04 3.86 -1.92 -3.49 115.15 116.79 1ggw h HIS 18 Ca 0.20 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1ggw h HIS 18 Cb 0.07 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1ggw h HIS 18 CO 0.01 1.50 0.00 0.41 0.86 0.00 0.00 177.93 180.71 1ggw n GLY 19 N 1.78 0.70 0.05 2.45 0.00 -1.13 -5.01 105.19 104.03 1ggw n GLY 19 Ca -0.22 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.25 0.75 0.00 2.61 -2.24 -1.26 -5.03 114.28 107.86 1ggw n THR 20 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1ggw n THR 20 Cb 0.37 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 2.34 0.94 3.39 3.38 0.00 -1.26 -5.14 105.19 108.83 1ggw n GLY 21 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 1.44 -0.06 1.61 3.00 -1.26 -3.81 118.95 119.87 1ggw s ARG 22 Ca 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 55.73 53.98 1ggw s ARG 22 Cb 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 34.95 33.94 1ggw s ARG 22 CO 0.00 0.05 0.14 0.96 0.00 0.00 0.00 175.30 176.45 1ggw s ILE 23 N -3.09 -0.02 0.69 1.52 -4.36 -0.99 -4.76 121.20 110.19 1ggw s ILE 23 Ca 0.27 0.07 -0.04 0.00 -0.26 0.00 0.00 60.65 60.69 1ggw s ILE 23 Cb 0.03 -0.22 0.08 0.00 1.25 0.00 0.00 42.46 43.60 1ggw s ILE 23 CO 0.10 0.03 0.98 -2.16 0.24 0.00 0.00 174.94 174.12 1ggw s PRO 24 N 0.51 2.07 0.38 0.37 0.04 -1.26 -2.75 135.00 134.36 1ggw s PRO 24 Ca -0.04 -0.54 0.20 0.00 0.04 0.00 0.00 61.00 60.67 1ggw s PRO 24 Cb -0.05 -2.25 1.22 0.00 0.04 0.00 0.00 34.50 33.46 1ggw s PRO 24 CO -0.02 -1.24 1.65 1.57 0.04 0.00 0.00 177.00 179.00 1ggw h LYS 25 N -0.51 0.21 -0.51 4.56 2.10 -1.95 0.22 116.57 120.70 1ggw h LYS 25 Ca -0.42 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1ggw h LYS 25 Cb 1.30 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 1ggw h LYS 25 CO 0.53 0.14 0.33 1.79 -2.00 0.00 0.00 179.45 180.24 1ggw h THR 26 N 0.22 1.14 -0.08 0.07 1.35 -1.96 -2.21 112.91 111.44 1ggw h THR 26 Ca 0.76 -0.28 -0.05 0.00 -0.55 0.00 0.00 66.41 66.30 1ggw h THR 26 Cb 2.00 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1ggw h THR 26 CO -0.54 0.14 -0.13 0.28 -0.25 0.00 0.00 175.52 175.02 1ggw h SER 27 N 0.68 0.26 -0.78 5.36 0.02 -0.93 -3.22 113.55 114.94 1ggw h SER 27 Ca 0.18 -0.54 0.12 0.00 -0.84 0.00 0.00 61.79 60.71 1ggw h SER 27 Cb -0.06 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 1ggw h SER 27 CO -0.04 0.75 0.51 0.40 -1.14 0.00 0.00 176.83 177.31 1ggw h ILE 28 N -0.23 0.87 0.06 3.27 1.08 -1.25 -0.20 117.51 121.12 1ggw h ILE 28 Ca 0.01 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1ggw h ILE 28 Cb 0.70 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 1ggw h ILE 28 CO 0.03 0.11 -0.10 1.23 -0.69 0.00 0.00 178.15 178.73 1ggw h GLY 29 N 0.58 -1.02 2.00 5.37 0.00 -1.41 0.10 103.07 108.69 1ggw h GLY 29 Ca 0.37 0.46 -0.04 0.00 0.00 0.00 0.00 47.33 48.12 1ggw h GLY 29 CO -0.14 -0.36 -0.20 1.29 0.00 0.00 0.00 176.54 177.13 1ggw h ASP 30 N -0.17 0.00 -0.31 0.19 3.04 -1.64 -2.76 116.42 114.77 1ggw h ASP 30 Ca -0.01 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.77 1ggw h ASP 30 Cb 0.16 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.43 1ggw h ASP 30 CO -0.04 0.20 0.16 0.25 -2.04 0.00 0.00 179.24 177.78 1ggw h LEU 31 N 0.00 0.40 -1.67 0.15 5.85 -0.72 -2.16 115.31 117.16 1ggw h LEU 31 Ca -0.00 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1ggw h LEU 31 Cb 0.41 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1ggw h LEU 31 CO 0.03 0.39 0.02 -0.07 -0.34 0.00 0.00 178.44 178.47 1ggw h LEU 32 N 0.38 0.20 -0.84 2.25 3.38 -0.51 -2.37 115.31 117.80 1ggw h LEU 32 Ca 0.11 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1ggw h LEU 32 Cb 0.09 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1ggw h LEU 32 CO -0.02 0.23 0.53 -0.09 0.09 0.00 0.00 178.44 179.19 1ggw h ARG 33 N 0.23 0.99 0.00 1.13 2.43 -0.15 0.97 114.38 119.98 1ggw h ARG 33 Ca 0.06 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1ggw h ARG 33 Cb 0.12 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1ggw h ARG 33 CO -0.00 0.66 -0.32 0.00 -1.51 0.00 0.00 179.97 178.79 1ggw h ALA 34 N 1.36 1.39 -0.95 2.80 0.00 -1.28 -3.06 119.26 119.51 1ggw h ALA 34 Ca 0.34 -0.29 -0.57 0.00 0.00 0.00 0.00 54.91 54.39 1ggw h ALA 34 Cb 0.05 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 17.38 1ggw h ALA 34 CO -0.13 0.40 -0.65 0.00 0.00 0.00 0.00 179.25 178.87 1ggw n GLY 36 N -0.67 0.09 3.48 0.00 0.00 0.23 -4.94 105.19 103.38 1ggw n GLY 36 Ca 0.44 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 1.95 -0.30 1.61 1.11 -0.99 -4.72 119.66 118.32 1ggw s GLN 37 Ca 0.00 -2.19 0.02 0.00 0.01 0.00 0.00 55.36 53.20 1ggw s GLN 37 Cb 0.00 -0.39 0.07 0.00 -1.01 0.00 0.00 33.01 31.68 1ggw s GLN 37 CO 0.00 -0.56 -0.02 1.21 0.01 0.00 0.00 175.29 175.93 1ggw s ASN 38 N -3.58 4.68 0.32 5.90 3.84 -1.26 -0.55 114.94 124.29 1ggw s ASN 38 Ca 0.26 -1.64 0.00 0.00 0.21 0.00 0.00 52.86 51.68 1ggw s ASN 38 Cb 0.02 -1.62 0.00 0.00 -0.55 0.00 0.00 41.25 39.09 1ggw s ASN 38 CO 0.18 -0.28 0.00 -0.81 -2.79 0.00 0.00 177.10 173.39 1ggw n PRO 39 N 4.42 0.84 -3.80 0.43 -0.04 -1.26 -5.03 135.00 130.56 1ggw n PRO 39 Ca -0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 1ggw n PRO 39 Cb 0.42 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 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 3.79 0.35 0.52 -4.23 -1.26 -4.98 115.64 109.71 1ggw s THR 40 Ca 0.00 -1.30 0.09 0.00 -1.18 0.00 0.00 61.69 59.30 1ggw s THR 40 Cb 0.00 -3.27 0.32 0.00 1.34 0.00 0.00 72.50 70.90 1ggw s THR 40 CO 0.00 -0.20 1.84 -0.07 -0.54 0.00 0.00 174.62 175.66 1ggw h LEU 41 N 1.22 0.67 -1.19 4.79 -0.00 -1.93 0.94 115.31 119.80 1ggw h LEU 41 Ca -0.46 0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.51 1ggw h LEU 41 Cb 1.25 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 41.79 1ggw h LEU 41 CO 0.58 0.31 0.56 0.00 -0.00 0.00 0.00 178.44 179.88 1ggw h ALA 42 N 1.60 1.48 0.36 1.53 0.00 -1.95 -0.24 119.26 122.04 1ggw h ALA 42 Ca 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1ggw h ALA 42 Cb 0.82 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ggw h ALA 42 CO -0.24 0.44 -0.17 1.49 0.00 0.00 0.00 179.25 180.76 1ggw h GLU 43 N 1.05 -0.47 -0.41 0.00 4.22 -1.18 -1.99 114.58 115.80 1ggw h GLU 43 Ca 0.34 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.85 1ggw h GLU 43 Cb 0.03 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1ggw h GLU 43 CO -0.10 -0.16 0.18 -0.84 -2.18 0.00 0.00 179.01 175.91 1ggw h ILE 44 N -0.79 0.94 -0.71 2.32 -2.65 -1.26 -1.99 117.51 113.36 1ggw h ILE 44 Ca -0.05 -0.13 0.08 0.00 1.03 0.00 0.00 64.86 65.80 1ggw h ILE 44 Cb 0.52 0.53 -0.07 0.00 -2.05 0.00 0.00 36.82 35.76 1ggw h ILE 44 CO 0.08 0.07 0.37 0.74 0.03 0.00 0.00 178.15 179.44 1ggw h THR 45 N 0.37 0.89 -0.82 0.16 2.02 -1.08 -0.79 112.91 113.66 1ggw h THR 45 Ca 0.18 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1ggw h THR 45 Cb 0.12 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.67 1ggw h THR 45 CO -0.15 0.12 0.54 -0.33 0.37 0.00 0.00 175.52 176.07 1ggw h GLU 46 N 0.65 0.95 0.17 6.66 4.39 -0.66 -2.01 114.58 124.73 1ggw h GLU 46 Ca 0.34 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1ggw h GLU 46 Cb 0.31 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1ggw h GLU 46 CO -0.24 0.63 -0.08 0.82 -1.16 0.00 0.00 179.01 178.98 1ggw h ILE 47 N 0.98 0.86 -0.23 3.13 2.04 -0.52 -2.22 117.51 121.54 1ggw h ILE 47 Ca 0.33 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 66.15 1ggw h ILE 47 Cb 0.09 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1ggw h ILE 47 CO -0.10 0.03 0.21 -0.33 0.00 0.00 0.00 178.15 177.95 1ggw h GLU 48 N -0.29 0.00 0.00 2.37 5.08 -0.91 -0.90 114.58 119.93 1ggw h GLU 48 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 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 0.04 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.50 1ggw n SER 49 N -4.07 0.49 -0.06 1.42 2.88 -0.80 -2.08 113.62 111.40 1ggw n SER 49 Ca 0.03 0.68 0.01 0.00 -1.33 0.00 0.00 58.87 58.26 1ggw n SER 49 Cb 0.35 -0.76 0.01 0.00 -0.75 0.00 0.00 64.21 63.06 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 -2.11 0.58 -4.06 2.46 -2.24 -0.35 -5.05 114.28 103.52 1ggw n THR 50 Ca 0.00 -0.79 -0.08 0.00 -2.27 0.00 0.00 64.05 60.91 1ggw n THR 50 Cb 0.10 0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.62 2.40 0.41 3.22 1.43 -0.88 -5.11 118.68 119.53 1ggw s LEU 51 Ca 0.02 -0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 52.03 1ggw s LEU 51 Cb 0.01 0.20 -0.15 0.00 0.03 0.00 0.00 46.19 46.28 1ggw s LEU 51 CO 0.02 -0.53 0.24 -2.65 0.23 0.00 0.00 176.35 173.65 1ggw n PRO 52 N 0.45 0.17 -0.11 1.29 -0.02 -1.26 -4.77 135.00 130.75 1ggw n PRO 52 Ca -0.16 0.06 -0.03 0.00 -2.02 0.00 0.00 63.50 61.35 1ggw n PRO 52 Cb 0.60 -1.16 -0.03 0.00 -0.02 0.00 0.00 33.50 32.89 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 -0.97 -0.17 -2.71 3.55 0.00 -1.26 -4.02 120.51 114.93 1ggw n ALA 53 Ca 0.12 0.22 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 1ggw n ALA 53 Cb 0.40 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 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 -4.52 4.22 -1.02 0.00 2.02 -1.26 -4.99 118.70 113.15 1ggw s GLU 54 Ca -0.03 0.19 -0.18 0.00 0.02 0.00 0.00 54.97 54.97 1ggw s GLU 54 Cb 0.03 -3.40 0.13 0.00 0.10 0.00 0.00 34.13 30.98 1ggw s GLU 54 CO 0.16 0.27 1.27 0.08 0.02 0.00 0.00 175.26 177.06 1ggw s VAL 55 N 0.34 4.68 0.67 2.63 1.01 -1.11 -4.85 120.40 123.76 1ggw s VAL 55 Ca 0.19 -1.76 -0.07 0.00 0.00 0.00 0.00 61.98 60.34 1ggw s VAL 55 Cb -0.14 -4.86 0.14 0.00 0.00 0.00 0.00 36.38 31.53 1ggw s VAL 55 CO 0.06 -1.61 0.91 -0.90 0.00 0.00 0.00 175.10 173.56 1ggw n ASP 56 N 6.67 0.54 -0.33 3.32 5.68 -1.26 -2.36 116.55 128.82 1ggw n ASP 56 Ca 0.29 -1.62 0.13 0.00 -0.50 0.00 0.00 54.79 53.09 1ggw n ASP 56 Cb 0.48 -0.65 0.26 0.00 -1.14 0.00 0.00 41.12 40.06 1ggw n ASP 56 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1ggw h MET 57 N 0.00 0.02 0.18 0.11 2.86 -1.95 0.22 114.93 116.37 1ggw h MET 57 Ca -0.30 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1ggw h MET 57 Cb 0.93 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1ggw h MET 57 CO 0.25 0.02 -0.08 1.49 1.06 0.00 0.00 176.91 179.65 1ggw h GLU 58 N 0.03 -0.23 -0.13 1.72 4.22 -1.93 -1.52 114.58 116.74 1ggw h GLU 58 Ca 0.56 0.02 0.02 0.00 0.08 0.00 0.00 59.36 60.04 1ggw h GLU 58 Cb 1.12 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1ggw h GLU 58 CO -0.90 0.13 -0.01 1.96 -2.18 0.00 0.00 179.01 178.01 1ggw h GLN 59 N -0.63 0.03 -0.12 1.92 7.50 -1.53 0.78 115.11 123.07 1ggw h GLN 59 Ca -0.02 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.12 1ggw h GLN 59 Cb 0.46 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 1ggw h GLN 59 CO 0.04 0.02 0.06 0.35 -1.50 0.00 0.00 178.83 177.80 1ggw h PHE 60 N 0.03 0.17 0.00 2.96 3.57 -0.71 -2.46 116.94 120.49 1ggw h PHE 60 Ca 0.06 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1ggw h PHE 60 Cb 0.08 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1ggw h PHE 60 CO -0.15 0.21 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.98 1ggw h LEU 61 N 0.08 0.00 -0.12 0.59 3.38 -1.11 -0.64 115.31 117.48 1ggw h LEU 61 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ggw h LEU 61 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ggw h LEU 61 CO -0.01 0.09 0.01 -0.61 0.09 0.00 0.00 178.44 178.01 1ggw h GLN 62 N 0.00 0.21 -0.16 1.13 5.75 -0.39 0.21 115.11 121.86 1ggw h GLN 62 Ca -0.00 -0.06 -0.14 0.00 -0.15 0.00 0.00 58.65 58.30 1ggw h GLN 62 Cb 0.16 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1ggw h GLN 62 CO 0.01 0.43 -0.44 -0.39 -2.65 0.00 0.00 178.83 175.79 1ggw h VAL 63 N -0.04 1.34 -0.43 2.39 -1.51 -1.19 -0.84 116.25 115.97 1ggw h VAL 63 Ca 0.04 -1.70 -0.04 0.00 -1.23 0.00 0.00 66.70 63.77 1ggw h VAL 63 Cb 0.33 1.99 -0.02 0.00 -2.13 0.00 0.00 31.29 31.46 1ggw h VAL 63 CO 0.00 0.52 0.13 0.25 -1.23 0.00 0.00 177.57 177.24 1ggw h LEU 64 N 0.24 0.63 -4.38 4.19 5.85 -1.15 -3.15 115.31 117.54 1ggw h LEU 64 Ca -0.01 -0.21 -0.64 0.00 0.84 0.00 0.00 57.88 57.85 1ggw h LEU 64 Cb 1.06 -0.17 -0.36 0.00 0.37 0.00 0.00 40.66 41.56 1ggw h LEU 64 CO 0.10 0.68 0.01 0.59 -0.34 0.00 0.00 178.44 179.48 1ggw n ASN 65 N -4.56 6.05 0.11 1.25 3.02 0.72 -4.65 115.26 117.21 1ggw n ASN 65 Ca 0.00 -3.77 -0.13 0.00 -0.03 0.00 0.00 54.58 50.65 1ggw n ASN 65 Cb 0.19 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 38.60 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 2.49 -0.20 -0.93 3.52 9.65 -1.10 -2.73 114.38 125.09 1ggw h ARG 66 Ca 0.44 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.34 1ggw h ARG 66 Cb 0.81 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 1ggw h ARG 66 CO 1.12 -0.11 0.00 -0.35 2.80 0.00 0.00 179.97 183.43 1ggw n PRO 67 N -5.17 1.60 -2.90 0.20 -0.04 -1.26 -4.91 135.00 122.52 1ggw n PRO 67 Ca -0.09 -0.49 -0.06 0.00 -0.04 0.00 0.00 63.50 62.83 1ggw n PRO 67 Cb 0.11 -1.61 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 1ggw n PRO 67 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ggw n ASN 68 N 0.09 -7.91 0.00 3.54 3.02 -1.03 -4.99 115.26 107.98 1ggw n ASN 68 Ca 0.04 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1ggw n ASN 68 Cb 0.39 -5.37 0.00 0.00 -0.61 0.00 0.00 39.78 34.19 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ggw n GLY 69 N -0.70 1.31 0.31 7.41 0.00 -1.26 -5.05 105.19 107.21 1ggw n GLY 69 Ca 0.09 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.03 0.00 -3.02 1.61 3.01 -1.26 -4.48 117.46 112.29 1ggw n PHE 70 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 1ggw n PHE 70 Cb 0.00 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 38.70 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 -3.84 5.35 0.00 4.37 5.75 -1.26 -4.20 116.55 122.71 1ggw n ASP 71 Ca -0.41 -3.02 0.00 0.00 -0.01 0.00 0.00 54.79 51.35 1ggw n ASP 71 Cb 0.81 -1.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1ggw n MET 72 N 4.49 0.00 -0.35 0.11 0.00 -1.26 -4.93 117.12 115.18 1ggw n MET 72 Ca 0.33 0.00 0.14 0.00 0.00 0.00 0.00 57.70 58.17 1ggw n MET 72 Cb 0.41 0.00 0.28 0.00 0.00 0.00 0.00 33.22 33.90 1ggw n MET 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1ggw h PRO 73 N 0.00 0.00 -0.42 2.12 0.11 -1.82 -3.13 132.00 128.87 1ggw h PRO 73 Ca 0.00 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.86 1ggw h PRO 73 Cb 0.00 -0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.78 1ggw h PRO 73 CO 0.00 0.00 -0.90 0.41 -0.21 0.00 0.00 178.00 177.31 1ggw n GLY 74 N -1.51 1.75 3.88 -0.55 0.00 -1.26 -5.03 105.19 102.47 1ggw n GLY 74 Ca 0.23 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1ggw n GLY 74 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ggw s ASP 75 N -2.90 5.68 0.39 1.61 -4.77 -1.18 -4.92 116.67 110.57 1ggw s ASP 75 Ca 0.23 1.15 0.11 0.00 -3.30 0.00 0.00 52.55 50.74 1ggw s ASP 75 Cb 0.38 -2.05 0.91 0.00 -1.09 0.00 0.00 42.92 41.07 1ggw s ASP 75 CO -0.05 -1.17 1.90 -0.65 0.70 0.00 0.00 175.17 175.90 1ggw h PRO 76 N -0.49 0.57 -0.36 2.11 0.11 -2.00 -1.08 132.00 130.86 1ggw h PRO 76 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1ggw h PRO 76 Cb 1.24 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1ggw h PRO 76 CO 0.63 0.38 0.03 1.49 -0.21 0.00 0.00 178.00 180.32 1ggw h GLU 77 N 0.58 0.55 -0.16 1.05 4.81 -1.96 -2.33 114.58 117.14 1ggw h GLU 77 Ca 0.40 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 1ggw h GLU 77 Cb 0.72 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1ggw h GLU 77 CO -0.16 0.55 -0.12 1.49 -0.73 0.00 0.00 179.01 180.05 1ggw h GLU 78 N 0.53 0.36 -0.77 1.92 4.22 -1.50 -1.83 114.58 117.52 1ggw h GLU 78 Ca 0.12 -0.18 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 1ggw h GLU 78 Cb 0.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1ggw h GLU 78 CO 0.01 0.71 0.47 0.27 -2.18 0.00 0.00 179.01 178.29 1ggw h PHE 79 N 0.00 1.00 0.02 0.92 -5.15 -1.36 -1.01 116.94 111.36 1ggw h PHE 79 Ca 0.03 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.80 1ggw h PHE 79 Cb 0.63 -0.33 0.00 0.00 0.22 0.00 0.00 35.95 36.47 1ggw h PHE 79 CO 0.08 0.67 -0.01 0.28 -2.00 0.00 0.00 178.31 177.33 1ggw h VAL 80 N 1.05 1.23 0.00 0.88 2.07 -1.43 -2.80 116.25 117.25 1ggw h VAL 80 Ca 0.28 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1ggw h VAL 80 Cb -0.05 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1ggw h VAL 80 CO -0.05 0.20 -0.02 0.50 0.02 0.00 0.00 177.57 178.22 1ggw h LYS 81 N -0.35 0.00 0.27 1.57 1.63 -1.20 0.28 116.57 118.77 1ggw h LYS 81 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1ggw h LYS 81 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1ggw h LYS 81 CO 0.00 0.02 -0.13 0.78 -3.45 0.00 0.00 179.45 176.67 1ggw h GLY 82 N 0.06 -0.38 1.25 5.01 0.00 -1.05 -3.37 103.07 104.59 1ggw h GLY 82 Ca -0.00 0.14 -0.30 0.00 0.00 0.00 0.00 47.33 47.17 1ggw h GLY 82 CO 0.00 -0.14 -1.26 0.74 0.00 0.00 0.00 176.54 175.88 1ggw h PHE 83 N -0.95 1.01 -0.28 5.60 0.04 -1.43 -3.39 116.94 117.55 1ggw h PHE 83 Ca -0.04 -0.64 -0.67 0.00 2.80 0.00 0.00 57.97 59.42 1ggw h PHE 83 Cb 0.49 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 1ggw h PHE 83 CO 0.05 1.48 2.63 0.94 -0.60 0.00 0.00 178.31 182.81 1ggw n GLN 84 N -3.78 2.70 -0.01 1.51 -0.06 0.96 -4.28 117.38 114.42 1ggw n GLN 84 Ca -0.14 -2.69 -0.02 0.00 -2.00 0.00 0.00 57.00 52.15 1ggw n GLN 84 Cb 1.00 -3.33 -0.01 0.00 -4.06 0.00 0.00 30.24 23.83 1ggw n GLN 84 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1ggw n VAL 85 N 5.77 0.14 -2.08 1.69 3.14 -1.26 -4.72 118.33 121.01 1ggw n VAL 85 Ca 0.50 -0.05 -0.02 0.00 -2.96 0.00 0.00 64.34 61.81 1ggw n VAL 85 Cb 0.42 -0.94 -0.03 0.00 -1.06 0.00 0.00 33.84 32.23 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 -2.77 0.00 -2.27 1.45 7.35 -1.26 -4.97 117.46 114.98 1ggw n PHE 86 Ca -0.05 -0.29 -0.34 0.00 -0.76 0.00 0.00 57.45 56.02 1ggw n PHE 86 Cb 0.54 0.26 0.02 0.00 0.35 0.00 0.00 39.48 40.65 1ggw n PHE 86 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1ggw n ASP 87 N 0.08 6.15 0.17 -2.13 9.92 -1.26 -4.73 116.55 124.74 1ggw n ASP 87 Ca -0.11 -3.77 0.02 0.00 -0.53 0.00 0.00 54.79 50.40 1ggw n ASP 87 Cb 0.71 -0.79 0.28 0.00 -0.64 0.00 0.00 41.12 40.68 1ggw n ASP 87 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1ggw h LYS 88 N 2.91 0.00 0.00 -1.24 1.79 -1.94 -3.32 116.57 114.77 1ggw h LYS 88 Ca 0.43 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.88 1ggw h LYS 88 Cb 0.45 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1ggw h LYS 88 CO 1.13 0.48 -0.15 0.22 -1.08 0.00 0.00 179.45 180.05 1ggw h ASP 89 N 0.00 0.00 -1.95 0.86 3.58 -1.95 -3.50 116.42 113.45 1ggw h ASP 89 Ca -0.00 -0.20 0.17 0.00 0.42 0.00 0.00 57.03 57.42 1ggw h ASP 89 Cb 0.91 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.92 1ggw h ASP 89 CO 0.06 0.68 -0.22 0.00 -2.88 0.00 0.00 179.24 176.88 1ggw n ALA 90 N -2.93 -1.59 -3.90 -0.78 0.00 -1.25 -4.91 120.51 105.15 1ggw n ALA 90 Ca -0.05 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 1ggw n ALA 90 Cb 0.16 -0.55 0.03 0.00 0.00 0.00 0.00 19.45 19.09 1ggw n ALA 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ggw n THR 91 N -2.97 -4.13 0.00 0.00 -2.24 -1.26 -4.45 114.28 99.23 1ggw n THR 91 Ca 0.00 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1ggw n THR 91 Cb 0.28 -3.21 0.00 0.00 -2.10 0.00 0.00 70.33 65.30 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggw n GLY 92 N -1.91 0.82 3.59 3.38 0.00 -1.26 -5.13 105.19 104.68 1ggw n GLY 92 Ca -0.10 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.79 -0.07 1.61 0.23 -1.26 -4.25 119.30 116.34 1ggw s MET 93 Ca 0.00 0.58 -0.00 0.00 -1.03 0.00 0.00 55.69 55.24 1ggw s MET 93 Cb 0.00 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 1ggw s MET 93 CO 0.00 -0.17 -0.07 1.51 -2.03 0.00 0.00 175.02 174.27 1ggw n ILE 94 N 1.80 0.40 -2.48 3.16 0.00 -1.26 -4.48 119.36 116.49 1ggw n ILE 94 Ca -0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 62.75 62.42 1ggw n ILE 94 Cb 0.56 -0.88 0.01 0.00 0.00 0.00 0.00 39.64 39.33 1ggw n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ggw n GLY 95 N 3.07 -1.10 0.32 4.50 0.00 -1.21 -4.63 105.19 106.15 1ggw n GLY 95 Ca -0.13 0.74 0.19 0.00 0.00 0.00 0.00 46.02 46.82 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 1.18 0.32 -1.09 1.61 2.07 0.17 0.11 116.25 120.62 1ggw h VAL 96 Ca 0.00 -0.10 0.31 0.00 0.82 0.00 0.00 66.70 67.73 1ggw h VAL 96 Cb 0.77 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.43 1ggw h VAL 96 CO 0.16 0.05 0.68 1.23 0.02 0.00 0.00 177.57 179.71 1ggw h GLY 97 N 0.29 1.44 0.34 2.17 0.00 -1.14 0.62 103.07 106.80 1ggw h GLY 97 Ca 0.65 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.67 1ggw h GLY 97 CO -0.62 -0.26 -0.48 0.83 0.00 0.00 0.00 176.54 176.02 1ggw h GLU 98 N 0.34 0.15 -0.83 4.80 4.39 -1.05 -2.20 114.58 120.18 1ggw h GLU 98 Ca 0.67 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 60.16 1ggw h GLU 98 Cb 1.72 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 30.41 1ggw h GLU 98 CO -0.39 1.12 0.53 1.37 -1.16 0.00 0.00 179.01 180.48 1ggw h LEU 99 N -0.68 0.85 -0.39 1.33 8.10 -0.90 -2.03 115.31 121.59 1ggw h LEU 99 Ca -0.09 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.72 1ggw h LEU 99 Cb 1.34 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.37 1ggw h LEU 99 CO 0.07 0.57 -0.75 0.08 -4.11 0.00 0.00 178.44 174.30 1ggw h ARG 100 N 1.00 0.38 -0.91 0.17 0.11 0.06 -2.60 114.38 112.59 1ggw h ARG 100 Ca 0.35 -0.32 0.11 0.00 0.10 0.00 0.00 59.98 60.21 1ggw h ARG 100 Cb 0.07 0.07 -0.07 0.00 1.11 0.00 0.00 29.97 31.16 1ggw h ARG 100 CO -0.14 0.97 0.59 -0.92 0.10 0.00 0.00 179.97 180.57 1ggw h TYR 101 N 0.26 0.98 0.05 4.08 3.20 -0.71 0.62 116.97 125.45 1ggw h TYR 101 Ca -0.03 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1ggw h TYR 101 Cb 1.32 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 39.29 1ggw h TYR 101 CO 0.04 0.43 -0.40 0.28 -1.64 0.00 0.00 178.16 176.87 1ggw h VAL 102 N 0.89 1.60 -0.24 1.81 2.07 -1.43 -3.26 116.25 117.69 1ggw h VAL 102 Ca 0.43 -2.29 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 1ggw h VAL 102 Cb 0.45 3.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1ggw h VAL 102 CO -0.19 0.63 0.01 -0.07 0.02 0.00 0.00 177.57 177.96 1ggw h LEU 103 N -0.58 0.41 -1.45 2.57 3.38 -1.11 -3.04 115.31 115.49 1ggw h LEU 103 Ca -0.06 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 57.71 1ggw h LEU 103 Cb 1.25 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1ggw h LEU 103 CO 0.08 0.60 0.49 0.74 0.09 0.00 0.00 178.44 180.44 1ggw h THR 104 N 0.20 0.91 0.00 0.22 2.02 0.08 0.55 112.91 116.88 1ggw h THR 104 Ca 0.07 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1ggw h THR 104 Cb 0.39 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1ggw h THR 104 CO 0.01 0.11 0.00 -1.28 0.37 0.00 0.00 175.52 174.73 1ggw h SER 105 N 0.60 0.00 0.11 4.18 0.87 -1.57 -2.80 113.55 114.94 1ggw h SER 105 Ca 0.35 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1ggw h SER 105 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1ggw h SER 105 CO -0.12 0.00 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.06 1ggw h LEU 106 N 0.00 -0.12 -5.06 2.23 3.38 -0.82 -3.45 115.31 111.47 1ggw h LEU 106 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1ggw h LEU 106 Cb 0.56 0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.17 1ggw h LEU 106 CO 0.00 -0.05 -0.49 0.61 0.09 0.00 0.00 178.44 178.60 1ggw n GLY 107 N 0.14 1.10 3.57 0.83 0.00 -1.23 -4.98 105.19 104.61 1ggw n GLY 107 Ca -0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 -6.82 0.00 1.61 1.02 -1.05 -5.01 120.64 110.36 1ggw n GLU 108 Ca 0.04 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 1ggw n GLU 108 Cb 0.76 -5.76 0.00 0.00 -0.02 0.00 0.00 31.44 26.42 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 -4.52 2.61 -1.90 3.49 4.76 -1.25 -4.64 118.16 116.73 1ggw n LYS 109 Ca -0.15 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 54.98 1ggw n LYS 109 Cb 0.62 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.75 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 3.15 0.00 -0.35 4.77 -1.26 -4.81 117.00 118.50 1ggw n LEU 110 Ca 0.00 -3.10 -0.20 0.00 -0.03 0.00 0.00 56.01 52.68 1ggw n LEU 110 Cb 0.00 -1.63 0.18 0.00 -2.33 0.00 0.00 43.42 39.64 1ggw n LEU 110 CO 0.00 -1.67 0.32 -1.54 -1.33 0.00 0.00 177.39 173.17 1ggw n SER 111 N 13.47 -2.62 -0.17 -1.43 3.41 -1.26 -4.60 113.62 120.42 1ggw n SER 111 Ca 0.46 -0.77 0.21 0.00 -0.26 0.00 0.00 58.87 58.51 1ggw n SER 111 Cb 0.46 -0.67 0.60 0.00 -0.26 0.00 0.00 64.21 64.34 1ggw n SER 111 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ggw h ASN 112 N -2.64 0.22 0.36 4.04 -1.24 -1.95 -2.25 115.58 112.12 1ggw h ASN 112 Ca -0.27 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 56.74 1ggw h ASN 112 Cb 0.87 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.90 1ggw h ASN 112 CO 0.17 0.09 -0.17 -0.08 -1.29 0.00 0.00 177.43 176.15 1ggw h GLU 113 N 0.22 -0.47 0.02 6.67 4.57 -1.97 0.48 114.58 124.11 1ggw h GLU 113 Ca 0.40 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.63 1ggw h GLU 113 Cb 1.23 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.91 1ggw h GLU 113 CO -0.09 -0.27 -0.10 0.93 -1.18 0.00 0.00 179.01 178.30 1ggw h GLU 114 N -0.55 -0.17 0.00 1.92 3.07 -1.71 -2.04 114.58 115.10 1ggw h GLU 114 Ca -0.05 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 1ggw h GLU 114 Cb 0.41 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1ggw h GLU 114 CO 0.08 -0.11 -0.26 0.00 -1.40 0.00 0.00 179.01 177.32 1ggw h MET 115 N -0.18 0.00 -0.16 2.33 -0.00 -1.49 -2.76 114.93 112.67 1ggw h MET 115 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.75 1ggw h MET 115 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.79 1ggw h MET 115 CO -0.08 0.26 0.04 -0.44 -0.00 0.00 0.00 176.91 176.69 1ggw h ASP 116 N 0.00 0.04 -0.46 -0.10 3.32 0.71 0.32 116.42 120.24 1ggw h ASP 116 Ca -0.00 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1ggw h ASP 116 Cb 0.55 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1ggw h ASP 116 CO 0.03 0.05 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.22 1ggw h GLU 117 N 0.12 0.84 -0.57 3.56 5.08 -1.36 -0.56 114.58 121.68 1ggw h GLU 117 Ca 0.07 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1ggw h GLU 117 Cb 0.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1ggw h GLU 117 CO -0.08 0.92 0.29 1.37 -1.00 0.00 0.00 179.01 180.50 1ggw h LEU 118 N 0.68 0.73 -0.78 1.33 8.10 -1.20 -2.53 115.31 121.65 1ggw h LEU 118 Ca 0.12 -0.11 -0.13 0.00 0.11 0.00 0.00 57.88 57.87 1ggw h LEU 118 Cb 0.56 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1ggw h LEU 118 CO 0.03 0.63 -0.55 -0.07 -4.11 0.00 0.00 178.44 174.38 1ggw h LEU 119 N 0.77 0.19 -0.83 0.17 3.38 -0.29 -2.47 115.31 116.23 1ggw h LEU 119 Ca 0.20 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ggw h LEU 119 Cb 0.08 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1ggw h LEU 119 CO -0.03 0.70 0.44 0.50 0.09 0.00 0.00 178.44 180.15 1ggw h LYS 120 N 0.13 1.16 -0.03 1.13 3.11 -0.74 -3.13 116.57 118.20 1ggw h LYS 120 Ca -0.00 -0.14 -0.09 0.00 -2.81 0.00 0.00 60.65 57.60 1ggw h LYS 120 Cb 1.01 -0.22 0.01 0.00 -1.00 0.00 0.00 32.23 32.02 1ggw h LYS 120 CO 0.08 0.86 -0.35 0.78 -2.81 0.00 0.00 179.45 178.01 1ggw h GLY 121 N 1.15 0.32 -5.93 5.01 0.00 -1.38 -3.43 103.07 98.81 1ggw h GLY 121 Ca 0.29 -0.50 -0.60 0.00 0.00 0.00 0.00 47.33 46.52 1ggw h GLY 121 CO -0.04 0.44 0.46 0.14 0.00 0.00 0.00 176.54 177.54 1ggw s VAL 122 N -3.37 4.82 -1.26 4.60 1.01 -0.94 -4.96 120.40 120.30 1ggw s VAL 122 Ca -0.15 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.18 1ggw s VAL 122 Cb 0.03 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 1ggw s VAL 122 CO 0.77 -0.13 2.40 -0.81 0.00 0.00 0.00 175.10 177.33 1ggw n PRO 123 N 6.08 2.71 -3.50 2.72 -0.04 -1.26 -4.73 135.00 136.98 1ggw n PRO 123 Ca 0.05 -2.03 -0.16 0.00 -0.04 0.00 0.00 63.50 61.32 1ggw n PRO 123 Cb 0.48 -2.83 -0.04 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 4.49 0.00 -4.85 0.52 0.24 -1.26 -5.13 118.33 112.34 1ggw n VAL 124 Ca 0.59 -1.49 -0.32 0.00 -2.04 0.00 0.00 64.34 61.07 1ggw n VAL 124 Cb 0.27 0.54 -0.16 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.97 3.10 0.00 7.34 1.02 -1.26 -4.60 119.74 122.37 1ggw s LYS 125 Ca 0.13 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.29 1ggw s LYS 125 Cb 0.01 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1ggw s LYS 125 CO 0.09 0.08 0.00 -3.47 -0.92 0.00 0.00 175.35 171.13 1ggw n ASP 126 N 3.82 -2.83 -1.96 2.83 2.03 -1.26 -3.61 116.55 115.58 1ggw n ASP 126 Ca -0.19 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.06 1ggw n ASP 126 Cb 0.52 -1.41 0.03 0.00 -0.72 0.00 0.00 41.12 39.55 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 -1.66 0.16 3.46 0.27 0.00 -1.26 -0.09 105.19 106.07 1ggw n GLY 127 Ca 0.00 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.12 3.47 -0.00 1.61 0.00 -1.24 -0.76 119.30 118.26 1ggw s MET 128 Ca 0.06 -0.62 0.23 0.00 0.00 0.00 0.00 55.69 55.36 1ggw s MET 128 Cb -0.01 -3.54 0.38 0.00 0.00 0.00 0.00 34.83 31.66 1ggw s MET 128 CO 0.26 -0.35 1.15 0.28 0.00 0.00 0.00 175.02 176.37 1ggw n VAL 129 N 4.98 0.01 -1.51 10.11 0.31 -1.26 -4.82 118.33 126.15 1ggw n VAL 129 Ca -0.14 -0.89 -0.18 0.00 -0.01 0.00 0.00 64.34 63.12 1ggw n VAL 129 Cb 0.50 0.94 -0.08 0.00 -0.91 0.00 0.00 33.84 34.30 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 0.43 -5.40 -1.07 4.52 5.15 -1.26 -4.54 115.26 113.09 1ggw n ASN 130 Ca 0.02 0.44 0.11 0.00 -0.60 0.00 0.00 54.58 54.54 1ggw n ASN 130 Cb 1.09 -4.45 -0.03 0.00 -0.53 0.00 0.00 39.78 35.87 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 -2.40 -2.86 0.00 1.20 9.36 -1.26 -4.76 117.16 116.45 1ggw n TYR 131 Ca -0.18 1.00 0.00 0.00 3.32 0.00 0.00 57.90 62.04 1ggw n TYR 131 Cb 0.62 -1.77 0.00 0.00 -0.63 0.00 0.00 39.34 37.57 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 -2.95 0.00 -0.21 2.98 -0.00 -1.26 -4.58 115.22 109.19 1ggw n HIS 132 Ca 0.01 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.20 1ggw n HIS 132 Cb 0.37 0.00 0.12 0.00 -0.12 0.00 0.00 29.99 30.36 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 0.18 -0.01 0.26 3.58 -1.86 0.93 116.42 119.50 1ggw h ASP 133 Ca 0.00 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1ggw h ASP 133 Cb 0.00 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 1ggw h ASP 133 CO 0.00 0.10 -0.00 -0.26 -2.88 0.00 0.00 179.24 176.19 1ggw h PHE 134 N 0.38 0.02 -0.15 0.28 0.04 -1.91 -2.75 116.94 112.85 1ggw h PHE 134 Ca 0.33 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.07 1ggw h PHE 134 Cb 0.45 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1ggw h PHE 134 CO -0.19 0.45 -0.01 0.28 -0.60 0.00 0.00 178.31 178.24 1ggw h VAL 135 N -0.42 1.10 0.08 -0.55 2.07 -1.81 -2.08 116.25 114.64 1ggw h VAL 135 Ca 0.00 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1ggw h VAL 135 Cb 0.44 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1ggw h VAL 135 CO 0.00 0.13 -0.04 -0.61 0.02 0.00 0.00 177.57 177.08 1ggw h GLN 136 N 0.21 -0.10 -0.51 1.57 5.75 0.93 -2.05 115.11 120.92 1ggw h GLN 136 Ca 0.05 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1ggw h GLN 136 Cb 0.16 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1ggw h GLN 136 CO 0.00 0.21 0.21 1.98 -2.65 0.00 0.00 178.83 178.57 1ggw h MET 137 N -0.41 0.73 -0.37 1.69 4.05 -1.29 -2.20 114.93 117.13 1ggw h MET 137 Ca -0.01 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.24 1ggw h MET 137 Cb 0.35 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 1ggw h MET 137 CO 0.02 0.60 -0.06 0.82 0.23 0.00 0.00 176.91 178.52 1ggw h ILE 138 N 0.72 1.23 -0.29 1.77 2.04 -1.29 -2.40 117.51 119.30 1ggw h ILE 138 Ca 0.18 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1ggw h ILE 138 Cb 0.14 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1ggw h ILE 138 CO -0.02 0.33 0.00 0.18 0.00 0.00 0.00 178.15 178.64 1ggw n LEU 139 N -4.22 2.82 -3.23 1.44 4.32 -0.78 -4.61 117.00 112.74 1ggw n LEU 139 Ca 0.01 -1.42 -0.02 0.00 -0.02 0.00 0.00 56.01 54.56 1ggw n LEU 139 Cb 0.30 -0.49 -0.02 0.00 -1.62 0.00 0.00 43.42 41.59 1ggw n LEU 139 CO 0.41 0.43 0.03 0.00 -1.22 0.00 0.00 177.39 177.04 1ggw s ALA 140 N -1.74 -1.93 0.00 -1.18 0.00 -0.90 -5.05 121.76 110.95 1ggw s ALA 140 Ca 0.25 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1ggw s ALA 140 Cb 0.17 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1ggw s ALA 140 CO 0.10 -2.00 0.46 0.09 0.00 0.00 0.00 175.76 174.41