#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggw n THR 3 N 0.00 0.43 0.13 6.66 -2.24 -1.26 -5.03 114.28 112.97 1ggw n THR 3 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1ggw n THR 3 Cb 0.00 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 1ggw n THR 3 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ggw n ASP 4 N -3.33 -0.33 -3.45 3.42 -0.08 -1.26 -5.04 116.55 106.48 1ggw n ASP 4 Ca -0.15 0.45 -0.28 0.00 -1.51 0.00 0.00 54.79 53.29 1ggw n ASP 4 Cb 0.61 0.51 -0.11 0.00 2.34 0.00 0.00 41.12 44.46 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1ggw s ASP 5 N -4.86 2.55 0.11 1.67 1.01 -1.26 -5.01 116.67 110.88 1ggw s ASP 5 Ca 0.00 -2.44 -0.19 0.00 0.71 0.00 0.00 52.55 50.63 1ggw s ASP 5 Cb 0.00 -0.42 -0.06 0.00 1.01 0.00 0.00 42.92 43.45 1ggw s ASP 5 CO 0.00 -0.27 1.68 -1.28 0.21 0.00 0.00 175.17 175.51 1ggw h SER 6 N 6.63 0.32 -0.03 0.27 0.87 -1.96 0.29 113.55 119.94 1ggw h SER 6 Ca 0.12 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1ggw h SER 6 Cb 0.95 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1ggw h SER 6 CO 0.30 0.36 0.00 -0.81 -0.53 0.00 0.00 176.83 176.14 1ggw n PRO 7 N -4.82 1.26 0.05 2.24 -0.04 -1.26 -0.25 135.00 132.18 1ggw n PRO 7 Ca -0.03 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 1ggw n PRO 7 Cb 0.10 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.48 -0.60 0.13 0.54 4.01 -1.12 -4.65 117.16 114.99 1ggw n TYR 8 Ca 0.19 0.11 -0.09 0.00 -0.16 0.00 0.00 57.90 57.95 1ggw n TYR 8 Cb 0.19 0.19 -0.05 0.00 -0.31 0.00 0.00 39.34 39.36 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 0.00 -0.40 -0.14 -0.72 1.57 -0.82 -1.45 116.57 114.60 1ggw h LYS 9 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ggw h LYS 9 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1ggw h LYS 9 CO 0.00 -0.14 0.08 0.37 -0.57 0.00 0.00 179.45 179.18 1ggw h GLN 10 N -1.04 0.20 -0.85 3.15 4.15 -0.76 -2.58 115.11 117.38 1ggw h GLN 10 Ca -0.04 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.38 1ggw h GLN 10 Cb 0.44 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 1ggw h GLN 10 CO 0.07 0.23 0.56 0.00 -1.93 0.00 0.00 178.83 177.76 1ggw h ALA 11 N 0.96 1.46 -0.45 3.38 0.00 -0.75 -2.15 119.26 121.72 1ggw h ALA 11 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ggw h ALA 11 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1ggw h ALA 11 CO -0.01 0.46 0.27 0.35 0.00 0.00 0.00 179.25 180.32 1ggw h PHE 12 N 1.07 0.51 -0.22 0.00 3.04 -0.96 -2.13 116.94 118.24 1ggw h PHE 12 Ca 0.34 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.27 1ggw h PHE 12 Cb 0.01 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 1ggw h PHE 12 CO -0.00 0.30 0.00 0.77 -2.02 0.00 0.00 178.31 177.36 1ggw h SER 13 N 0.55 0.29 -0.31 0.41 0.02 -1.02 -2.49 113.55 111.00 1ggw h SER 13 Ca 0.18 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1ggw h SER 13 Cb -0.01 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1ggw h SER 13 CO -0.07 0.35 0.17 -0.07 -1.14 0.00 0.00 176.83 176.07 1ggw h LEU 14 N 0.32 0.42 -3.51 5.07 3.38 -0.88 -2.40 115.31 117.70 1ggw h LEU 14 Ca 0.07 -0.03 -0.41 0.00 0.09 0.00 0.00 57.88 57.61 1ggw h LEU 14 Cb 0.21 -0.11 -0.22 0.00 0.09 0.00 0.00 40.66 40.64 1ggw h LEU 14 CO 0.00 0.36 0.52 0.49 0.09 0.00 0.00 178.44 179.90 1ggw n PHE 15 N -4.43 2.23 -2.26 1.13 3.72 -0.94 -4.96 117.46 111.95 1ggw n PHE 15 Ca 0.02 -1.77 -0.42 0.00 -0.05 0.00 0.00 57.45 55.23 1ggw n PHE 15 Cb 0.11 -0.88 -0.03 0.00 -0.94 0.00 0.00 39.48 37.74 1ggw n PHE 15 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1ggw s ASP 16 N -0.67 6.90 -0.03 4.37 -4.77 -0.91 -4.75 116.67 116.81 1ggw s ASP 16 Ca 0.42 2.14 -0.20 0.00 -3.30 0.00 0.00 52.55 51.61 1ggw s ASP 16 Cb 0.35 -2.57 -0.13 0.00 -1.09 0.00 0.00 42.92 39.47 1ggw s ASP 16 CO 0.05 -0.64 0.88 -0.09 0.70 0.00 0.00 175.17 176.07 1ggw h ARG 17 N 7.28 -0.40 0.00 2.11 9.65 -1.92 -3.40 114.38 127.70 1ggw h ARG 17 Ca -0.40 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.49 1ggw h ARG 17 Cb 1.19 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.86 1ggw h ARG 17 CO 0.87 -0.09 -1.41 0.72 2.80 0.00 0.00 179.97 182.86 1ggw n HIS 18 N -5.07 0.00 0.00 2.20 8.25 -1.26 -5.03 115.22 114.31 1ggw n HIS 18 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1ggw n HIS 18 Cb 0.26 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1ggw n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ggw n GLY 19 N 2.09 1.93 0.06 -1.41 0.00 -1.26 -5.02 105.19 101.58 1ggw n GLY 19 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.76 0.89 0.00 2.61 -2.24 -1.26 -5.02 114.28 108.50 1ggw n THR 20 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1ggw n THR 20 Cb 0.00 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 2.07 1.73 3.23 3.38 0.00 -1.26 -5.10 105.19 109.23 1ggw n GLY 21 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 0.99 -0.06 1.61 0.52 -1.26 -3.21 118.95 117.54 1ggw s ARG 22 Ca 0.00 -1.27 -0.03 0.00 -0.52 0.00 0.00 55.73 53.91 1ggw s ARG 22 Cb 0.00 -0.75 0.03 0.00 0.52 0.00 0.00 34.95 34.75 1ggw s ARG 22 CO 0.00 0.13 0.13 0.96 0.02 0.00 0.00 175.30 176.54 1ggw s ILE 23 N -2.48 -0.03 0.74 1.52 -4.36 -0.97 -3.73 121.20 111.88 1ggw s ILE 23 Ca 0.10 0.13 -0.08 0.00 -0.26 0.00 0.00 60.65 60.53 1ggw s ILE 23 Cb -0.03 -0.21 0.07 0.00 1.25 0.00 0.00 42.46 43.54 1ggw s ILE 23 CO 0.02 0.05 1.07 -2.16 0.24 0.00 0.00 174.94 174.16 1ggw s PRO 24 N 0.82 2.12 0.37 0.37 0.04 -1.26 -2.58 135.00 134.87 1ggw s PRO 24 Ca -0.06 -0.15 0.19 0.00 0.04 0.00 0.00 61.00 61.01 1ggw s PRO 24 Cb -0.08 -2.10 1.17 0.00 0.04 0.00 0.00 34.50 33.53 1ggw s PRO 24 CO -0.04 -1.35 1.67 1.57 0.04 0.00 0.00 177.00 178.89 1ggw h LYS 25 N -0.74 0.27 -0.58 4.56 2.10 -1.93 0.26 116.57 120.51 1ggw h LYS 25 Ca -0.45 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1ggw h LYS 25 Cb 1.32 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.56 1ggw h LYS 25 CO 0.62 0.18 0.35 1.79 -2.00 0.00 0.00 179.45 180.38 1ggw h THR 26 N 0.28 1.17 -0.17 0.07 1.35 -1.96 -1.77 112.91 111.88 1ggw h THR 26 Ca 0.74 -0.39 -0.05 0.00 -0.55 0.00 0.00 66.41 66.15 1ggw h THR 26 Cb 1.86 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1ggw h THR 26 CO -0.52 0.18 -0.08 0.28 -0.25 0.00 0.00 175.52 175.13 1ggw h SER 27 N 0.78 0.37 -0.64 5.36 0.02 -0.87 -3.12 113.55 115.44 1ggw h SER 27 Ca 0.21 -0.41 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1ggw h SER 27 Cb -0.01 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1ggw h SER 27 CO -0.04 0.69 0.42 0.40 -1.14 0.00 0.00 176.83 177.17 1ggw h ILE 28 N 0.04 1.05 0.05 3.27 1.08 -1.20 -0.57 117.51 121.23 1ggw h ILE 28 Ca 0.04 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1ggw h ILE 28 Cb 0.55 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1ggw h ILE 28 CO 0.02 0.13 -0.04 1.23 -0.69 0.00 0.00 178.15 178.80 1ggw h GLY 29 N 0.71 -0.65 2.00 5.37 0.00 -1.25 -0.74 103.07 108.50 1ggw h GLY 29 Ca 0.27 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.87 1ggw h GLY 29 CO -0.08 -0.24 -0.07 1.29 0.00 0.00 0.00 176.54 177.44 1ggw h ASP 30 N -0.08 0.00 -0.08 0.19 3.04 -1.58 -2.49 116.42 115.41 1ggw h ASP 30 Ca -0.01 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.78 1ggw h ASP 30 Cb 0.07 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1ggw h ASP 30 CO -0.00 0.07 0.04 0.25 -2.04 0.00 0.00 179.24 177.56 1ggw h LEU 31 N 0.00 0.10 -1.61 0.15 5.85 -0.85 -2.43 115.31 116.51 1ggw h LEU 31 Ca -0.00 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1ggw h LEU 31 Cb 0.16 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1ggw h LEU 31 CO 0.01 0.15 0.04 -0.07 -0.34 0.00 0.00 178.44 178.23 1ggw h LEU 32 N 0.03 0.26 -1.09 2.25 3.38 -0.68 -2.46 115.31 117.00 1ggw h LEU 32 Ca 0.03 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1ggw h LEU 32 Cb 0.08 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1ggw h LEU 32 CO -0.00 0.28 0.61 -0.09 0.09 0.00 0.00 178.44 179.33 1ggw h ARG 33 N 0.29 0.94 -0.07 1.13 2.43 -0.77 -0.26 114.38 118.07 1ggw h ARG 33 Ca 0.07 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1ggw h ARG 33 Cb 0.13 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1ggw h ARG 33 CO -0.00 0.62 -0.07 0.00 -1.51 0.00 0.00 179.97 179.01 1ggw h ALA 34 N 1.54 1.76 0.10 2.80 0.00 -1.36 -3.02 119.26 121.06 1ggw h ALA 34 Ca 0.46 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 55.06 1ggw h ALA 34 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ggw h ALA 34 CO -0.22 0.19 -1.01 0.00 0.00 0.00 0.00 179.25 178.21 1ggw n GLY 36 N 1.67 -0.77 3.48 0.00 0.00 -0.27 -5.15 105.19 104.15 1ggw n GLY 36 Ca -0.20 0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 1.92 -0.19 1.61 1.11 -1.23 -4.81 119.66 118.06 1ggw s GLN 37 Ca 0.00 -2.17 0.01 0.00 0.01 0.00 0.00 55.36 53.21 1ggw s GLN 37 Cb 0.00 -0.42 0.02 0.00 -1.01 0.00 0.00 33.01 31.60 1ggw s GLN 37 CO 0.00 -0.53 -0.17 1.21 0.01 0.00 0.00 175.29 175.81 1ggw s ASN 38 N -3.57 3.42 0.23 5.90 3.84 -1.26 -1.54 114.94 121.95 1ggw s ASN 38 Ca 0.26 -0.71 0.00 0.00 0.21 0.00 0.00 52.86 52.62 1ggw s ASN 38 Cb 0.02 -1.52 0.00 0.00 -0.55 0.00 0.00 41.25 39.20 1ggw s ASN 38 CO 0.17 -0.03 0.00 -0.81 -2.79 0.00 0.00 177.10 173.64 1ggw n PRO 39 N 4.62 0.88 -3.84 0.43 -0.04 -1.26 -5.03 135.00 130.76 1ggw n PRO 39 Ca -0.20 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.05 1ggw n PRO 39 Cb 0.49 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.93 1ggw n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ggw s THR 40 N -0.11 4.40 0.43 0.52 -4.23 -1.26 -5.01 115.64 110.38 1ggw s THR 40 Ca 0.00 -1.17 0.15 0.00 -1.18 0.00 0.00 61.69 59.49 1ggw s THR 40 Cb 0.00 -3.49 0.34 0.00 1.34 0.00 0.00 72.50 70.69 1ggw s THR 40 CO 0.00 -0.26 1.95 -0.07 -0.54 0.00 0.00 174.62 175.70 1ggw h LEU 41 N 1.19 0.38 -1.21 4.79 -0.00 -1.99 -0.09 115.31 118.38 1ggw h LEU 41 Ca -0.48 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.43 1ggw h LEU 41 Cb 1.24 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.80 1ggw h LEU 41 CO 0.58 0.21 0.54 0.00 -0.00 0.00 0.00 178.44 179.77 1ggw h ALA 42 N 1.67 1.44 0.40 1.53 0.00 -1.98 0.01 119.26 122.32 1ggw h ALA 42 Ca 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1ggw h ALA 42 Cb 0.72 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ggw h ALA 42 CO -0.10 0.52 -0.19 0.93 0.00 0.00 0.00 179.25 180.41 1ggw h GLU 43 N 1.08 -0.52 -0.39 0.00 3.07 -1.41 -0.31 114.58 116.10 1ggw h GLU 43 Ca 0.30 0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.24 1ggw h GLU 43 Cb -0.10 0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 27.88 1ggw h GLU 43 CO -0.07 -0.21 0.15 -0.84 -1.40 0.00 0.00 179.01 176.65 1ggw h ILE 44 N -0.92 0.90 -0.62 3.13 -2.65 -1.39 -0.84 117.51 115.12 1ggw h ILE 44 Ca -0.05 -0.11 -0.01 0.00 1.03 0.00 0.00 64.86 65.72 1ggw h ILE 44 Cb 0.55 0.56 -0.03 0.00 -2.05 0.00 0.00 36.82 35.85 1ggw h ILE 44 CO 0.09 0.06 0.36 0.74 0.03 0.00 0.00 178.15 179.43 1ggw h THR 45 N 0.32 1.19 -1.01 0.16 2.02 -1.06 -2.31 112.91 112.23 1ggw h THR 45 Ca 0.18 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 66.97 1ggw h THR 45 Cb 0.14 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 1ggw h THR 45 CO -0.17 0.20 0.65 -0.08 0.37 0.00 0.00 175.52 176.49 1ggw h GLU 46 N 0.84 1.18 0.25 6.66 4.57 -0.41 -1.74 114.58 125.93 1ggw h GLU 46 Ca 0.22 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1ggw h GLU 46 Cb 0.00 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.33 1ggw h GLU 46 CO -0.04 0.78 -0.12 0.82 -1.18 0.00 0.00 179.01 179.27 1ggw h ILE 47 N 1.21 0.78 -0.11 2.32 2.04 -0.67 -2.19 117.51 120.89 1ggw h ILE 47 Ca 0.42 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 66.16 1ggw h ILE 47 Cb 0.12 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1ggw h ILE 47 CO -0.16 0.04 0.19 -0.33 0.00 0.00 0.00 178.15 177.89 1ggw h GLU 48 N -0.42 0.00 0.00 2.37 5.08 -0.98 -1.19 114.58 119.44 1ggw h GLU 48 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ggw h GLU 48 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ggw h GLU 48 CO 0.06 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.52 1ggw n SER 49 N -3.48 0.00 -0.01 1.42 2.88 -0.69 -3.34 113.62 110.39 1ggw n SER 49 Ca 0.00 0.38 -0.02 0.00 -1.33 0.00 0.00 58.87 57.89 1ggw n SER 49 Cb 0.29 -0.41 -0.01 0.00 -0.75 0.00 0.00 64.21 63.33 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 -1.41 0.14 -2.75 2.46 -2.24 -0.46 -5.06 114.28 104.97 1ggw n THR 50 Ca 0.02 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 1ggw n THR 50 Cb 0.06 -1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 67.04 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 -5.81 3.74 0.35 3.22 2.01 -1.17 -5.01 118.68 116.01 1ggw s LEU 51 Ca -0.03 1.08 -0.22 0.00 0.01 0.00 0.00 54.13 54.97 1ggw s LEU 51 Cb 0.01 -3.99 -0.15 0.00 0.01 0.00 0.00 46.19 42.06 1ggw s LEU 51 CO 0.05 -0.47 0.17 -2.65 1.01 0.00 0.00 176.35 174.45 1ggw n PRO 52 N -1.64 0.00 -0.11 1.29 -0.02 -1.26 -4.71 135.00 128.54 1ggw n PRO 52 Ca 0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.47 1ggw n PRO 52 Cb 0.54 -0.97 -0.03 0.00 -0.02 0.00 0.00 33.50 33.03 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 -0.79 -0.16 -2.70 3.55 0.00 -1.26 -4.00 120.51 115.16 1ggw n ALA 53 Ca 0.12 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.38 1ggw n ALA 53 Cb 0.36 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.23 4.33 -1.11 0.00 2.02 -1.26 -4.96 118.70 113.50 1ggw s GLU 54 Ca -0.03 0.70 -0.17 0.00 0.02 0.00 0.00 54.97 55.48 1ggw s GLU 54 Cb 0.03 -3.49 0.12 0.00 0.10 0.00 0.00 34.13 30.89 1ggw s GLU 54 CO 0.16 -0.03 1.40 0.08 0.02 0.00 0.00 175.26 176.88 1ggw s VAL 55 N 1.19 4.61 0.95 2.63 1.01 -1.07 -4.84 120.40 124.88 1ggw s VAL 55 Ca 0.32 -1.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.24 1ggw s VAL 55 Cb -0.16 -4.95 0.21 0.00 0.00 0.00 0.00 36.38 31.48 1ggw s VAL 55 CO 0.13 -1.71 1.30 1.51 0.00 0.00 0.00 175.10 176.34 1ggw s ASP 56 N 3.65 3.09 0.31 3.32 1.47 -1.26 -2.30 116.67 124.94 1ggw s ASP 56 Ca 0.42 0.10 0.04 0.00 1.18 0.00 0.00 52.55 54.29 1ggw s ASP 56 Cb -0.02 -0.12 0.81 0.00 -0.34 0.00 0.00 42.92 43.26 1ggw s ASP 56 CO -0.03 -2.74 1.58 0.24 0.68 0.00 0.00 175.17 174.91 1ggw h MET 57 N -1.57 0.03 0.12 2.11 2.86 -1.93 0.17 114.93 116.72 1ggw h MET 57 Ca -0.43 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.20 1ggw h MET 57 Cb 1.23 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1ggw h MET 57 CO 0.34 0.02 -0.06 1.49 1.06 0.00 0.00 176.91 179.77 1ggw h GLU 58 N 0.03 -0.15 0.00 1.72 4.81 -1.91 -1.90 114.58 117.18 1ggw h GLU 58 Ca 0.62 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.88 1ggw h GLU 58 Cb 1.32 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 1ggw h GLU 58 CO -0.87 0.24 -0.12 1.96 -0.73 0.00 0.00 179.01 179.49 1ggw h GLN 59 N -0.59 -0.20 -0.11 1.92 7.50 -1.40 0.20 115.11 122.41 1ggw h GLN 59 Ca -0.02 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ggw h GLN 59 Cb 0.47 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 1ggw h GLN 59 CO 0.03 -0.14 0.08 0.35 -1.50 0.00 0.00 178.83 177.65 1ggw h PHE 60 N -0.21 0.15 -0.15 2.96 3.57 -0.84 -2.26 116.94 120.15 1ggw h PHE 60 Ca 0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1ggw h PHE 60 Cb 0.27 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1ggw h PHE 60 CO -0.18 0.10 0.02 -0.07 -2.23 0.00 0.00 178.31 175.95 1ggw h LEU 61 N 0.15 0.19 0.05 0.59 3.38 -1.13 0.14 115.31 118.67 1ggw h LEU 61 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ggw h LEU 61 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ggw h LEU 61 CO -0.01 0.22 -0.02 -0.61 0.09 0.00 0.00 178.44 178.10 1ggw h GLN 62 N 0.22 -0.06 -0.14 1.13 5.75 -0.03 0.32 115.11 122.30 1ggw h GLN 62 Ca 0.05 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.34 1ggw h GLN 62 Cb 0.11 0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.69 1ggw h GLN 62 CO -0.00 0.03 -0.75 -0.39 -2.65 0.00 0.00 178.83 175.07 1ggw h VAL 63 N -0.14 1.29 0.73 2.39 -1.51 -1.23 -3.33 116.25 114.46 1ggw h VAL 63 Ca -0.01 -1.96 -0.04 0.00 -1.23 0.00 0.00 66.70 63.47 1ggw h VAL 63 Cb 0.12 2.04 0.01 0.00 -2.13 0.00 0.00 31.29 31.32 1ggw h VAL 63 CO 0.01 0.62 -0.35 0.25 -1.23 0.00 0.00 177.57 176.87 1ggw h LEU 64 N 0.47 -0.83 -5.50 4.19 5.85 -0.93 -3.26 115.31 115.30 1ggw h LEU 64 Ca -0.05 0.01 -0.70 0.00 0.84 0.00 0.00 57.88 57.97 1ggw h LEU 64 Cb 1.38 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 1ggw h LEU 64 CO 0.15 -0.50 3.21 0.59 -0.34 0.00 0.00 178.44 181.56 1ggw n ASN 65 N -5.46 7.22 -0.09 1.25 3.02 0.11 -4.74 115.26 116.57 1ggw n ASN 65 Ca -0.13 -2.81 -0.06 0.00 -0.03 0.00 0.00 54.58 51.55 1ggw n ASN 65 Cb 0.40 -1.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.04 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 5.20 -0.02 -0.80 3.52 3.08 -1.66 -1.24 114.38 122.46 1ggw h ARG 66 Ca 0.73 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.78 1ggw h ARG 66 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1ggw h ARG 66 CO 1.73 -0.01 0.00 -0.35 -1.07 0.00 0.00 179.97 180.27 1ggw n PRO 67 N -5.28 1.94 -2.55 0.04 -0.04 -1.26 -4.96 135.00 122.88 1ggw n PRO 67 Ca 0.01 -0.80 -0.05 0.00 -0.04 0.00 0.00 63.50 62.62 1ggw n PRO 67 Cb 0.19 -1.63 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 1ggw n PRO 67 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ggw n ASN 68 N 0.15 -2.26 0.00 3.54 2.85 -0.47 -4.99 115.26 114.08 1ggw n ASN 68 Ca 0.07 1.48 0.00 0.00 -0.11 0.00 0.00 54.58 56.02 1ggw n ASN 68 Cb 0.45 -5.31 0.00 0.00 1.24 0.00 0.00 39.78 36.16 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ggw n GLY 69 N 1.76 -1.20 3.97 8.20 0.00 -1.26 -5.06 105.19 111.60 1ggw n GLY 69 Ca -0.34 -2.24 -0.19 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.93 2.97 -0.87 1.61 0.40 -1.26 -4.65 117.98 115.25 1ggw s PHE 70 Ca 0.00 -0.30 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1ggw s PHE 70 Cb 0.00 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1ggw s PHE 70 CO 0.00 -0.10 0.74 -0.25 0.70 0.00 0.00 175.22 176.31 1ggw n ASP 71 N -1.65 -6.81 0.01 1.36 8.00 -1.26 -4.83 116.55 111.36 1ggw n ASP 71 Ca 0.02 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.06 1ggw n ASP 71 Cb 0.59 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1ggw n MET 72 N -2.53 0.00 -0.28 -1.24 1.56 -1.26 -4.96 117.12 108.41 1ggw n MET 72 Ca -0.07 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.44 1ggw n MET 72 Cb 0.56 0.00 0.21 0.00 2.15 0.00 0.00 33.22 36.15 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 0.14 0.00 2.12 0.11 -1.87 -3.40 132.00 129.11 1ggw h PRO 73 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ggw h PRO 73 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1ggw h PRO 73 CO 0.00 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.30 1ggw n GLY 74 N -1.41 -0.23 3.87 -0.55 0.00 -1.26 -4.99 105.19 100.61 1ggw n GLY 74 Ca 0.17 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 6.39 0.24 1.61 1.11 -1.26 -4.97 116.67 119.78 1ggw s ASP 75 Ca 0.00 1.38 -0.06 0.00 0.18 0.00 0.00 52.55 54.05 1ggw s ASP 75 Cb 0.00 -2.44 0.30 0.00 1.07 0.00 0.00 42.92 41.84 1ggw s ASP 75 CO 0.00 -0.70 1.86 -0.65 1.18 0.00 0.00 175.17 176.86 1ggw h PRO 76 N 0.31 0.97 -0.42 8.23 0.11 -2.00 -1.80 132.00 137.39 1ggw h PRO 76 Ca -0.46 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1ggw h PRO 76 Cb 1.19 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1ggw h PRO 76 CO 0.62 0.64 0.09 0.93 -0.21 0.00 0.00 178.00 180.07 1ggw h GLU 77 N 1.00 0.64 -0.81 1.05 5.08 -2.00 -2.55 114.58 116.98 1ggw h GLU 77 Ca 0.36 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1ggw h GLU 77 Cb 0.10 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1ggw h GLU 77 CO -0.15 0.60 0.35 1.49 -1.00 0.00 0.00 179.01 180.30 1ggw h GLU 78 N 0.62 1.20 -0.36 2.33 4.22 -1.72 -1.54 114.58 119.33 1ggw h GLU 78 Ca 0.14 -0.20 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 1ggw h GLU 78 Cb 0.26 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1ggw h GLU 78 CO -0.00 0.95 0.10 0.35 -2.18 0.00 0.00 179.01 178.22 1ggw h PHE 79 N 1.17 0.59 -0.60 0.92 3.57 -1.16 -0.65 116.94 120.77 1ggw h PHE 79 Ca 0.27 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1ggw h PHE 79 Cb 0.18 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1ggw h PHE 79 CO 0.02 0.59 0.38 0.28 -2.23 0.00 0.00 178.31 177.35 1ggw h VAL 80 N 0.43 1.17 -0.01 1.41 2.07 -1.25 -2.11 116.25 117.95 1ggw h VAL 80 Ca 0.11 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1ggw h VAL 80 Cb 0.29 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1ggw h VAL 80 CO -0.00 0.16 -0.36 0.11 0.02 0.00 0.00 177.57 177.50 1ggw h LYS 81 N 0.82 0.02 0.05 1.57 6.56 -1.13 -0.96 116.57 123.49 1ggw h LYS 81 Ca 0.22 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1ggw h LYS 81 Cb -0.06 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 1ggw h LYS 81 CO -0.04 0.38 -0.02 0.78 -2.06 0.00 0.00 179.45 178.49 1ggw h GLY 82 N 1.10 -0.07 1.08 3.86 0.00 -0.44 -3.12 103.07 105.48 1ggw h GLY 82 Ca -0.00 0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 1ggw h GLY 82 CO 0.05 -0.02 -0.44 0.74 0.00 0.00 0.00 176.54 176.86 1ggw h PHE 83 N -0.20 1.01 -0.05 5.60 -1.00 -1.44 -3.34 116.94 117.52 1ggw h PHE 83 Ca -0.01 -0.34 -0.71 0.00 2.81 0.00 0.00 57.97 59.73 1ggw h PHE 83 Cb 0.18 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 1ggw h PHE 83 CO -0.03 1.15 3.07 0.94 -1.61 0.00 0.00 178.31 181.83 1ggw n GLN 84 N -4.11 2.84 0.04 1.51 7.27 -0.37 -4.33 117.38 120.23 1ggw n GLN 84 Ca -0.04 -2.62 0.00 0.00 0.07 0.00 0.00 57.00 54.41 1ggw n GLN 84 Cb 0.57 -3.29 0.00 0.00 2.41 0.00 0.00 30.24 29.92 1ggw n GLN 84 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ggw n VAL 85 N 5.19 0.50 -1.49 1.69 0.31 -1.25 -4.78 118.33 118.50 1ggw n VAL 85 Ca 0.52 0.17 -0.36 0.00 -0.01 0.00 0.00 64.34 64.66 1ggw n VAL 85 Cb 0.39 -1.06 0.06 0.00 -0.91 0.00 0.00 33.84 32.33 1ggw n VAL 85 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1ggw n PHE 86 N -3.04 3.06 -3.24 3.52 7.35 -1.26 -4.66 117.46 119.19 1ggw n PHE 86 Ca 0.00 -2.76 -0.25 0.00 -0.76 0.00 0.00 57.45 53.68 1ggw n PHE 86 Cb 0.00 -1.36 -0.07 0.00 0.35 0.00 0.00 39.48 38.40 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 -0.72 0.46 0.09 -2.13 9.92 -1.26 -4.98 116.55 117.93 1ggw n ASP 87 Ca 0.59 -2.73 -0.13 0.00 -0.53 0.00 0.00 54.79 51.99 1ggw n ASP 87 Cb 0.53 -0.63 -0.08 0.00 -0.64 0.00 0.00 41.12 40.30 1ggw n ASP 87 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1ggw h LYS 88 N 4.21 -0.17 0.00 -1.24 3.64 -1.98 -3.35 116.57 117.68 1ggw h LYS 88 Ca 0.10 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 1ggw h LYS 88 Cb 0.86 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1ggw h LYS 88 CO 0.49 -0.03 -0.82 0.22 -2.27 0.00 0.00 179.45 177.03 1ggw h ASP 89 N -0.26 0.00 -6.16 4.20 3.58 -2.00 -3.49 116.42 112.28 1ggw h ASP 89 Ca -0.02 -0.28 -0.42 0.00 0.42 0.00 0.00 57.03 56.73 1ggw h ASP 89 Cb 0.21 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.33 1ggw h ASP 89 CO 0.03 1.10 -0.90 0.00 -2.88 0.00 0.00 179.24 176.59 1ggw n ALA 90 N -3.45 -2.35 -3.19 -0.78 0.00 -1.26 -4.93 120.51 104.55 1ggw n ALA 90 Ca -0.19 -0.19 -0.35 0.00 0.00 0.00 0.00 53.44 52.71 1ggw n ALA 90 Cb 0.46 -3.42 -0.03 0.00 0.00 0.00 0.00 19.45 16.45 1ggw n ALA 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ggw n THR 91 N -4.14 3.87 -0.11 0.00 -1.04 -1.26 -4.68 114.28 106.92 1ggw n THR 91 Ca -0.17 -5.59 0.00 0.00 -2.04 0.00 0.00 64.05 56.25 1ggw n THR 91 Cb 0.63 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ggw n GLY 92 N 0.99 0.53 3.64 3.41 0.00 -1.26 -5.13 105.19 107.37 1ggw n GLY 92 Ca 0.29 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 0.67 0.19 -0.07 1.61 0.23 -1.26 -4.61 119.30 116.06 1ggw s MET 93 Ca 0.00 0.13 -0.01 0.00 -1.03 0.00 0.00 55.69 54.78 1ggw s MET 93 Cb 0.00 0.09 -0.04 0.00 -1.53 0.00 0.00 34.83 33.35 1ggw s MET 93 CO 0.00 -0.04 -0.07 1.51 -2.03 0.00 0.00 175.02 174.38 1ggw n ILE 94 N 1.18 0.39 -2.27 3.16 0.00 -1.26 -4.83 119.36 115.72 1ggw n ILE 94 Ca -0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 62.75 62.51 1ggw n ILE 94 Cb 0.58 -1.11 0.01 0.00 0.00 0.00 0.00 39.64 39.11 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 2.91 -1.28 0.45 4.50 0.00 -1.20 -4.71 105.19 105.85 1ggw n GLY 95 Ca -0.13 0.64 0.32 0.00 0.00 0.00 0.00 46.02 46.86 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 1.21 0.25 -0.92 1.61 2.07 0.12 0.79 116.25 121.36 1ggw h VAL 96 Ca 0.00 -0.06 0.23 0.00 0.82 0.00 0.00 66.70 67.69 1ggw h VAL 96 Cb 0.53 0.05 -0.13 0.00 -1.52 0.00 0.00 31.29 30.23 1ggw h VAL 96 CO 0.11 0.03 0.44 1.23 0.02 0.00 0.00 177.57 179.40 1ggw h GLY 97 N 0.18 1.63 0.40 2.17 0.00 -1.78 0.64 103.07 106.31 1ggw h GLY 97 Ca 0.75 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.88 1ggw h GLY 97 CO -0.38 -0.27 -0.02 -2.09 0.00 0.00 0.00 176.54 173.78 1ggw h GLU 98 N 0.44 -0.05 -0.62 4.80 4.22 -1.13 -2.68 114.58 119.56 1ggw h GLU 98 Ca 0.58 0.00 0.06 0.00 0.08 0.00 0.00 59.36 60.08 1ggw h GLU 98 Cb 1.12 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1ggw h GLU 98 CO -0.52 0.51 0.41 1.37 -2.18 0.00 0.00 179.01 178.60 1ggw h LEU 99 N -0.65 0.56 -0.06 1.64 8.10 -1.24 -2.19 115.31 121.46 1ggw h LEU 99 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1ggw h LEU 99 Cb 0.58 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 40.68 1ggw h LEU 99 CO 0.01 0.37 -0.00 -0.09 -4.11 0.00 0.00 178.44 174.62 1ggw h ARG 100 N 0.64 0.11 -0.75 0.17 2.43 0.22 -1.44 114.38 115.76 1ggw h ARG 100 Ca 0.27 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.49 1ggw h ARG 100 Cb 0.24 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 1ggw h ARG 100 CO -0.08 0.39 0.49 -0.92 -1.51 0.00 0.00 179.97 178.35 1ggw h TYR 101 N -0.18 0.74 -0.08 2.20 3.20 -1.08 0.47 116.97 122.25 1ggw h TYR 101 Ca 0.02 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 1ggw h TYR 101 Cb 0.34 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1ggw h TYR 101 CO 0.03 0.36 -0.20 0.28 -1.64 0.00 0.00 178.16 176.99 1ggw h VAL 102 N 0.70 1.41 -0.00 1.81 2.07 -1.26 -2.85 116.25 118.13 1ggw h VAL 102 Ca 0.34 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1ggw h VAL 102 Cb 0.40 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1ggw h VAL 102 CO -0.12 0.44 -0.06 -0.07 0.02 0.00 0.00 177.57 177.77 1ggw h LEU 103 N -0.20 0.06 -1.40 2.57 3.38 -0.84 -3.20 115.31 115.67 1ggw h LEU 103 Ca -0.00 -0.74 0.07 0.00 0.09 0.00 0.00 57.88 57.30 1ggw h LEU 103 Cb 0.81 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1ggw h LEU 103 CO 0.04 0.79 0.47 0.74 0.09 0.00 0.00 178.44 180.57 1ggw h THR 104 N -0.66 1.00 0.00 0.22 2.02 -0.23 -0.47 112.91 114.79 1ggw h THR 104 Ca -0.01 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1ggw h THR 104 Cb 0.80 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1ggw h THR 104 CO 0.01 0.13 -0.08 -1.28 0.37 0.00 0.00 175.52 174.67 1ggw h SER 105 N 0.72 0.00 0.54 4.18 0.87 -1.58 -2.18 113.55 116.10 1ggw h SER 105 Ca 0.31 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1ggw h SER 105 Cb 0.30 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1ggw h SER 105 CO -0.10 0.08 -0.26 -0.07 -0.53 0.00 0.00 176.83 175.95 1ggw h LEU 106 N 0.00 -0.61 -5.00 2.23 3.38 -1.07 -3.44 115.31 110.80 1ggw h LEU 106 Ca -0.00 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1ggw h LEU 106 Cb 0.53 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.31 1ggw h LEU 106 CO 0.01 -0.33 -0.19 0.61 0.09 0.00 0.00 178.44 178.63 1ggw n GLY 107 N -0.54 0.44 3.51 0.83 0.00 -1.23 -4.99 105.19 103.23 1ggw n GLY 107 Ca -0.09 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.32 -7.26 0.00 1.61 -0.58 -0.82 -5.02 120.64 108.24 1ggw n GLU 108 Ca -0.08 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 1ggw n GLU 108 Cb 0.77 -5.87 0.00 0.00 -0.57 0.00 0.00 31.44 25.76 1ggw n GLU 108 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ggw n LYS 109 N -4.55 2.73 -1.90 3.49 4.76 -1.24 -4.62 118.16 116.83 1ggw n LYS 109 Ca -0.15 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.02 1ggw n LYS 109 Cb 0.62 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.74 1ggw n LYS 109 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ggw n LEU 110 N 0.00 2.86 -4.32 -0.35 4.77 -1.26 -4.80 117.00 113.90 1ggw n LEU 110 Ca 0.00 -3.03 -0.31 0.00 -0.03 0.00 0.00 56.01 52.64 1ggw n LEU 110 Cb 0.00 -1.67 0.29 0.00 -2.33 0.00 0.00 43.42 39.71 1ggw n LEU 110 CO 0.00 -1.99 0.42 -0.94 -1.33 0.00 0.00 177.39 173.55 1ggw s SER 111 N 6.67 -1.00 0.52 -1.43 1.04 -1.26 -4.57 113.70 113.67 1ggw s SER 111 Ca 0.69 0.82 0.30 0.00 0.48 0.00 0.00 55.95 58.24 1ggw s SER 111 Cb 0.00 -1.15 1.43 0.00 0.10 0.00 0.00 66.02 66.40 1ggw s SER 111 CO 0.15 -5.32 1.86 -0.55 0.98 0.00 0.00 173.24 170.36 1ggw h ASN 112 N -3.39 0.08 0.44 7.02 -1.07 -1.93 -1.88 115.58 114.84 1ggw h ASN 112 Ca -0.43 0.01 -0.02 0.00 0.07 0.00 0.00 56.30 55.93 1ggw h ASN 112 Cb 1.34 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.59 1ggw h ASN 112 CO 0.28 0.02 -0.21 -0.08 0.07 0.00 0.00 177.43 177.51 1ggw h GLU 113 N 0.07 -0.56 -0.40 4.14 4.81 -1.97 0.54 114.58 121.21 1ggw h GLU 113 Ca 0.46 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.76 1ggw h GLU 113 Cb 1.72 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 31.20 1ggw h GLU 113 CO -0.04 -0.34 0.21 0.93 -0.73 0.00 0.00 179.01 179.04 1ggw h GLU 114 N -0.66 0.41 -0.10 1.92 4.39 -1.65 -1.86 114.58 117.04 1ggw h GLU 114 Ca -0.06 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1ggw h GLU 114 Cb 0.49 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1ggw h GLU 114 CO 0.10 0.27 -0.31 0.52 -1.16 0.00 0.00 179.01 178.43 1ggw h MET 115 N 0.43 0.19 -0.31 2.33 2.86 -1.42 -2.74 114.93 116.27 1ggw h MET 115 Ca 0.17 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1ggw h MET 115 Cb 0.06 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1ggw h MET 115 CO -0.10 0.49 0.07 -0.44 1.06 0.00 0.00 176.91 177.98 1ggw h ASP 116 N 0.17 0.03 -0.50 1.22 5.19 0.93 0.29 116.42 123.75 1ggw h ASP 116 Ca 0.02 0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.42 1ggw h ASP 116 Cb 0.64 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 1ggw h ASP 116 CO 0.05 0.05 0.08 -0.33 -3.12 0.00 0.00 179.24 175.96 1ggw h GLU 117 N 0.18 0.83 -0.74 3.56 5.08 -1.36 -1.06 114.58 121.07 1ggw h GLU 117 Ca 0.14 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ggw h GLU 117 Cb 0.15 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1ggw h GLU 117 CO -0.18 0.83 0.49 1.37 -1.00 0.00 0.00 179.01 180.52 1ggw h LEU 118 N 0.70 0.85 -0.96 1.33 8.10 -1.12 -2.14 115.31 122.07 1ggw h LEU 118 Ca 0.15 -0.02 -0.10 0.00 0.11 0.00 0.00 57.88 58.02 1ggw h LEU 118 Cb 0.40 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.40 1ggw h LEU 118 CO 0.01 0.61 -0.36 -0.07 -4.11 0.00 0.00 178.44 174.53 1ggw h LEU 119 N 1.00 0.32 -0.93 0.17 3.38 -0.24 -2.70 115.31 116.31 1ggw h LEU 119 Ca 0.27 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1ggw h LEU 119 Cb -0.11 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1ggw h LEU 119 CO -0.06 0.66 0.42 0.50 0.09 0.00 0.00 178.44 180.05 1ggw h LYS 120 N 0.27 1.18 -0.04 1.13 3.11 -0.55 -3.11 116.57 118.55 1ggw h LYS 120 Ca 0.03 -0.16 -0.02 0.00 -2.81 0.00 0.00 60.65 57.69 1ggw h LYS 120 Cb 0.76 -0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1ggw h LYS 120 CO 0.06 0.89 -0.06 0.78 -2.81 0.00 0.00 179.45 178.31 1ggw h GLY 121 N 1.19 0.12 -5.56 5.01 0.00 -1.28 -3.43 103.07 99.12 1ggw h GLY 121 Ca 0.29 -0.13 -0.59 0.00 0.00 0.00 0.00 47.33 46.90 1ggw h GLY 121 CO -0.04 0.12 0.47 0.14 0.00 0.00 0.00 176.54 177.23 1ggw s VAL 122 N -4.07 4.84 -1.16 4.60 1.01 -1.04 -4.96 120.40 119.62 1ggw s VAL 122 Ca -0.16 1.63 -0.11 0.00 0.00 0.00 0.00 61.98 63.35 1ggw s VAL 122 Cb 0.02 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 1ggw s VAL 122 CO 0.70 -0.04 2.34 -0.81 0.00 0.00 0.00 175.10 177.28 1ggw n PRO 123 N 5.73 2.54 -4.48 2.72 -0.04 -1.26 -4.77 135.00 135.44 1ggw n PRO 123 Ca 0.06 -1.88 -0.24 0.00 -0.04 0.00 0.00 63.50 61.39 1ggw n PRO 123 Cb 0.48 -2.73 -0.08 0.00 -0.04 0.00 0.00 33.50 31.12 1ggw n PRO 123 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ggw s VAL 124 N 3.30 0.51 -0.08 0.52 -7.23 -1.26 -5.13 120.40 111.03 1ggw s VAL 124 Ca 0.52 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1ggw s VAL 124 Cb 0.14 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1ggw s VAL 124 CO -0.02 0.00 -0.23 -0.54 -0.31 0.00 0.00 175.10 173.99 1ggw s LYS 125 N -3.69 2.77 0.00 4.82 1.02 -1.26 -4.60 119.74 118.80 1ggw s LYS 125 Ca 0.26 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1ggw s LYS 125 Cb 0.03 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 1ggw s LYS 125 CO 0.16 0.32 0.00 -3.47 -0.92 0.00 0.00 175.35 171.44 1ggw n ASP 126 N 3.14 -2.25 -1.99 2.83 -0.08 -1.26 -3.59 116.55 113.36 1ggw n ASP 126 Ca -0.18 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.03 1ggw n ASP 126 Cb 0.52 -1.25 0.03 0.00 2.34 0.00 0.00 41.12 42.77 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ggw n GLY 127 N -1.78 0.12 3.40 0.27 0.00 -1.26 -0.52 105.19 105.42 1ggw n GLY 127 Ca 0.00 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.42 3.26 -0.02 1.61 0.00 -1.24 -0.87 119.30 117.63 1ggw s MET 128 Ca 0.02 -0.76 0.23 0.00 0.00 0.00 0.00 55.69 55.18 1ggw s MET 128 Cb -0.00 -3.47 0.39 0.00 0.00 0.00 0.00 34.83 31.75 1ggw s MET 128 CO 0.29 -0.41 1.15 0.28 0.00 0.00 0.00 175.02 176.33 1ggw n VAL 129 N 4.93 0.08 -2.01 10.11 0.31 -1.26 -4.80 118.33 125.70 1ggw n VAL 129 Ca -0.14 -1.02 -0.19 0.00 -0.01 0.00 0.00 64.34 62.98 1ggw n VAL 129 Cb 0.49 0.97 -0.04 0.00 -0.91 0.00 0.00 33.84 34.34 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 0.35 -5.16 -4.09 4.52 4.05 -1.26 -2.49 115.26 111.19 1ggw n ASN 130 Ca 0.02 0.24 -0.30 0.00 0.45 0.00 0.00 54.58 54.98 1ggw n ASN 130 Cb 1.08 -4.44 -0.03 0.00 1.23 0.00 0.00 39.78 37.62 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ggw n TYR 131 N -3.09 -1.68 0.02 1.20 9.36 -1.26 -4.85 117.16 116.86 1ggw n TYR 131 Ca -0.20 0.76 0.00 0.00 3.32 0.00 0.00 57.90 61.78 1ggw n TYR 131 Cb 0.64 -3.37 0.00 0.00 -0.63 0.00 0.00 39.34 35.98 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 -4.42 -0.03 -0.31 2.98 -0.00 -1.04 -4.54 115.22 107.86 1ggw n HIS 132 Ca -0.15 0.01 0.03 0.00 0.46 0.00 0.00 57.72 58.06 1ggw n HIS 132 Cb 0.60 0.02 0.21 0.00 -0.12 0.00 0.00 29.99 30.70 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 0.96 0.48 0.26 3.58 -1.89 0.36 116.42 120.16 1ggw h ASP 133 Ca 0.00 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1ggw h ASP 133 Cb 0.56 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1ggw h ASP 133 CO 0.00 0.63 -0.23 -0.26 -2.88 0.00 0.00 179.24 176.50 1ggw h PHE 134 N 1.10 -0.60 -0.17 0.28 0.04 -1.89 -2.82 116.94 112.88 1ggw h PHE 134 Ca 0.38 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.12 1ggw h PHE 134 Cb 0.11 0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1ggw h PHE 134 CO -0.00 -0.27 0.02 0.28 -0.60 0.00 0.00 178.31 177.73 1ggw h VAL 135 N -0.97 1.10 0.43 -0.55 2.07 -1.76 0.03 116.25 116.61 1ggw h VAL 135 Ca -0.07 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1ggw h VAL 135 Cb 0.59 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ggw h VAL 135 CO 0.11 0.13 -0.31 -0.61 0.02 0.00 0.00 177.57 176.91 1ggw h GLN 136 N 0.24 -0.70 0.00 1.57 4.15 -0.23 -0.29 115.11 119.86 1ggw h GLN 136 Ca 0.06 0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 1ggw h GLN 136 Cb 0.14 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1ggw h GLN 136 CO 0.00 -0.46 -0.56 1.98 -1.93 0.00 0.00 178.83 177.86 1ggw h MET 137 N -0.72 0.00 -0.62 1.69 4.05 -1.33 -3.18 114.93 114.81 1ggw h MET 137 Ca -0.04 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 1ggw h MET 137 Cb 0.62 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 1ggw h MET 137 CO 0.01 0.56 0.28 0.82 0.23 0.00 0.00 176.91 178.81 1ggw h ILE 138 N 0.00 1.22 0.00 1.77 1.08 -0.66 -3.37 117.51 117.55 1ggw h ILE 138 Ca -0.01 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1ggw h ILE 138 Cb 1.03 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1ggw h ILE 138 CO 0.07 0.26 0.00 0.18 -0.69 0.00 0.00 178.15 177.98 1ggw n LEU 139 N -4.48 0.01 -2.66 1.44 4.77 -0.15 -5.03 117.00 110.91 1ggw n LEU 139 Ca 0.04 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1ggw n LEU 139 Cb 0.14 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1ggw n LEU 139 CO 0.38 0.00 -0.51 0.00 -1.33 0.00 0.00 177.39 175.93 1ggw n ALA 140 N -2.98 -3.52 -1.09 -1.18 0.00 -1.24 -5.12 120.51 105.38 1ggw n ALA 140 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.24 1ggw n ALA 140 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59