#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 2.41 -2.70 6.66 5.66 -1.26 -4.67 114.28 120.37 1ggw n THR 3 Ca 0.00 -3.08 -0.08 0.00 -3.05 0.00 0.00 64.05 57.84 1ggw n THR 3 Cb 0.00 -0.34 0.10 0.00 -1.55 0.00 0.00 70.33 68.54 1ggw n THR 3 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ggw n ASP 4 N -1.10 -1.18 -4.62 1.09 5.68 -1.26 -5.10 116.55 110.07 1ggw n ASP 4 Ca 0.28 -2.61 -0.43 0.00 -0.50 0.00 0.00 54.79 51.53 1ggw n ASP 4 Cb 0.87 0.72 -0.03 0.00 -1.14 0.00 0.00 41.12 41.54 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ggw s ASP 5 N -1.64 5.90 0.14 -1.12 1.01 -1.26 -4.82 116.67 114.88 1ggw s ASP 5 Ca 0.23 1.83 -0.17 0.00 0.71 0.00 0.00 52.55 55.15 1ggw s ASP 5 Cb 0.40 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 1ggw s ASP 5 CO -0.06 -1.62 1.76 -1.28 0.21 0.00 0.00 175.17 174.18 1ggw h SER 6 N 12.99 0.44 1.54 0.27 0.87 -1.97 0.60 113.55 128.29 1ggw h SER 6 Ca -0.39 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1ggw h SER 6 Cb 1.21 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1ggw h SER 6 CO 0.98 0.38 -0.06 1.55 -0.53 0.00 0.00 176.83 179.15 1ggw h PRO 7 N 0.47 0.00 0.00 2.24 0.13 -1.95 0.13 132.00 133.01 1ggw h PRO 7 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ggw h PRO 7 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1ggw h PRO 7 CO -0.02 0.00 -0.43 0.66 -0.23 0.00 0.00 178.00 177.98 1ggw n TYR 8 N -2.44 0.00 0.15 1.56 4.01 -1.12 -4.42 117.16 114.90 1ggw n TYR 8 Ca 0.05 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.72 1ggw n TYR 8 Cb 0.45 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 -0.43 -0.44 -0.37 -0.72 1.57 -0.24 -1.64 116.57 114.30 1ggw h LYS 9 Ca 0.00 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1ggw h LYS 9 Cb 0.43 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1ggw h LYS 9 CO 0.00 -0.29 0.19 0.37 -0.57 0.00 0.00 179.45 179.15 1ggw h GLN 10 N -0.98 0.39 -0.73 3.15 4.15 -0.55 -2.09 115.11 118.44 1ggw h GLN 10 Ca -0.05 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1ggw h GLN 10 Cb 0.35 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 1ggw h GLN 10 CO 0.08 0.26 0.45 0.00 -1.93 0.00 0.00 178.83 177.68 1ggw h ALA 11 N 1.19 1.42 -0.21 3.38 0.00 -0.87 -2.58 119.26 121.59 1ggw h ALA 11 Ca 0.16 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ggw h ALA 11 Cb 0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1ggw h ALA 11 CO -0.10 0.51 -0.03 0.35 0.00 0.00 0.00 179.25 179.98 1ggw h PHE 12 N 1.00 -0.07 -0.34 0.00 3.04 -0.60 -1.86 116.94 118.12 1ggw h PHE 12 Ca 0.26 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.21 1ggw h PHE 12 Cb -0.06 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1ggw h PHE 12 CO 0.00 -0.06 0.13 0.66 -2.02 0.00 0.00 178.31 177.02 1ggw h SER 13 N 0.03 0.43 -0.41 0.41 4.64 -1.14 -2.15 113.55 115.35 1ggw h SER 13 Ca 0.10 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1ggw h SER 13 Cb 0.14 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1ggw h SER 13 CO -0.19 0.39 0.27 -0.07 -0.87 0.00 0.00 176.83 176.36 1ggw h LEU 14 N 0.48 0.45 -3.40 5.97 3.38 -0.97 -2.13 115.31 119.09 1ggw h LEU 14 Ca 0.12 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.71 1ggw h LEU 14 Cb 0.10 -0.11 -0.20 0.00 0.09 0.00 0.00 40.66 40.54 1ggw h LEU 14 CO -0.01 0.32 0.47 0.49 0.09 0.00 0.00 178.44 179.80 1ggw n PHE 15 N -4.48 2.07 -3.04 1.13 3.72 -0.81 -4.92 117.46 111.13 1ggw n PHE 15 Ca 0.03 -1.61 -0.41 0.00 -0.05 0.00 0.00 57.45 55.42 1ggw n PHE 15 Cb 0.08 -0.81 -0.05 0.00 -0.94 0.00 0.00 39.48 37.76 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 -0.53 6.72 0.07 4.37 1.11 -0.80 -4.81 116.67 122.80 1ggw s ASP 16 Ca 0.39 0.88 -0.26 0.00 0.18 0.00 0.00 52.55 53.74 1ggw s ASP 16 Cb 0.32 -2.38 -0.16 0.00 1.07 0.00 0.00 42.92 41.77 1ggw s ASP 16 CO 0.06 -0.37 1.66 0.03 1.18 0.00 0.00 175.17 177.72 1ggw h ARG 17 N 7.64 -0.28 0.00 8.23 2.47 -1.91 -3.35 114.38 127.17 1ggw h ARG 17 Ca -0.28 0.02 -0.20 0.00 -1.26 0.00 0.00 59.98 58.26 1ggw h ARG 17 Cb 1.12 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.47 1ggw h ARG 17 CO 0.80 -0.16 -1.85 0.72 0.56 0.00 0.00 179.97 180.04 1ggw n HIS 18 N -5.20 0.00 -0.44 3.04 8.25 -1.26 -5.04 115.22 114.57 1ggw n HIS 18 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1ggw n HIS 18 Cb 0.15 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.67 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 2.11 1.20 0.01 -1.41 0.00 -1.26 -5.02 105.19 100.82 1ggw n GLY 19 Ca -0.18 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.79 0.08 0.00 2.61 -2.24 -1.26 -5.00 114.28 107.69 1ggw n THR 20 Ca 0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1ggw n THR 20 Cb 0.09 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1ggw n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggw n GLY 21 N 1.55 0.73 3.46 3.38 0.00 -1.26 -5.12 105.19 107.92 1ggw n GLY 21 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 1.62 -0.10 1.61 3.00 -1.26 -3.04 118.95 120.78 1ggw s ARG 22 Ca 0.00 -1.78 -0.07 0.00 0.00 0.00 0.00 55.73 53.88 1ggw s ARG 22 Cb 0.00 -1.48 0.04 0.00 0.00 0.00 0.00 34.95 33.50 1ggw s ARG 22 CO 0.00 0.18 0.25 0.96 0.00 0.00 0.00 175.30 176.70 1ggw s ILE 23 N -2.74 -0.03 0.69 1.52 -4.36 -0.98 -4.34 121.20 110.96 1ggw s ILE 23 Ca 0.29 0.09 -0.06 0.00 -0.26 0.00 0.00 60.65 60.71 1ggw s ILE 23 Cb -0.00 -0.38 0.06 0.00 1.25 0.00 0.00 42.46 43.39 1ggw s ILE 23 CO 0.13 0.04 1.00 -2.16 0.24 0.00 0.00 174.94 174.19 1ggw s PRO 24 N 0.86 2.25 0.44 0.37 0.04 -1.26 -2.30 135.00 135.39 1ggw s PRO 24 Ca -0.06 -0.26 0.28 0.00 0.04 0.00 0.00 61.00 61.00 1ggw s PRO 24 Cb -0.07 -2.19 1.37 0.00 0.04 0.00 0.00 34.50 33.65 1ggw s PRO 24 CO -0.05 -1.19 1.66 1.57 0.04 0.00 0.00 177.00 179.03 1ggw h LYS 25 N -0.55 0.15 -0.43 4.56 2.10 -1.91 0.21 116.57 120.69 1ggw h LYS 25 Ca -0.44 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 1ggw h LYS 25 Cb 1.31 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.59 1ggw h LYS 25 CO 0.60 0.10 0.21 1.79 -2.00 0.00 0.00 179.45 180.14 1ggw h THR 26 N 0.15 1.18 -0.17 0.07 1.35 -1.96 -2.43 112.91 111.09 1ggw h THR 26 Ca 0.76 -0.50 -0.09 0.00 -0.55 0.00 0.00 66.41 66.03 1ggw h THR 26 Cb 2.35 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1ggw h THR 26 CO -0.36 0.19 -0.25 0.28 -0.25 0.00 0.00 175.52 175.13 1ggw h SER 27 N 0.55 0.52 -0.70 5.36 0.02 -0.93 -3.19 113.55 115.17 1ggw h SER 27 Ca 0.15 -0.52 0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1ggw h SER 27 Cb 0.11 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1ggw h SER 27 CO -0.02 0.93 0.46 0.40 -1.14 0.00 0.00 176.83 177.46 1ggw h ILE 28 N 0.12 0.96 0.12 3.27 1.08 -1.32 -0.68 117.51 121.06 1ggw h ILE 28 Ca 0.02 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1ggw h ILE 28 Cb 0.81 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 1ggw h ILE 28 CO 0.06 0.12 -0.16 1.23 -0.69 0.00 0.00 178.15 178.70 1ggw h GLY 29 N 0.64 -0.97 2.00 5.37 0.00 -1.42 0.18 103.07 108.87 1ggw h GLY 29 Ca 0.31 0.44 -0.04 0.00 0.00 0.00 0.00 47.33 48.05 1ggw h GLY 29 CO -0.11 -0.33 -0.18 1.29 0.00 0.00 0.00 176.54 177.21 1ggw h ASP 30 N -0.29 0.00 -0.26 0.19 3.04 -1.64 -2.50 116.42 114.96 1ggw h ASP 30 Ca -0.01 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.77 1ggw h ASP 30 Cb 0.26 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.54 1ggw h ASP 30 CO -0.04 0.18 0.15 0.25 -2.04 0.00 0.00 179.24 177.74 1ggw h LEU 31 N 0.00 0.31 -1.61 0.15 5.85 -0.82 -2.22 115.31 116.97 1ggw h LEU 31 Ca -0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1ggw h LEU 31 Cb 0.32 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1ggw h LEU 31 CO 0.02 0.28 0.09 -0.07 -0.34 0.00 0.00 178.44 178.43 1ggw h LEU 32 N 0.31 0.31 -0.97 2.25 3.38 -0.22 -2.41 115.31 117.98 1ggw h LEU 32 Ca 0.09 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1ggw h LEU 32 Cb 0.03 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1ggw h LEU 32 CO -0.02 0.29 0.62 -0.09 0.09 0.00 0.00 178.44 179.33 1ggw h ARG 33 N 0.35 1.06 -0.05 1.13 2.43 -0.52 0.13 114.38 118.92 1ggw h ARG 33 Ca 0.09 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1ggw h ARG 33 Cb 0.08 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1ggw h ARG 33 CO -0.01 0.70 -0.18 0.00 -1.51 0.00 0.00 179.97 178.97 1ggw h ALA 34 N 1.46 1.61 0.12 2.80 0.00 -1.33 -3.08 119.26 120.84 1ggw h ALA 34 Ca 0.43 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.92 1ggw h ALA 34 Cb 0.22 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ggw h ALA 34 CO -0.19 0.29 -1.12 0.00 0.00 0.00 0.00 179.25 178.22 1ggw n GLY 36 N 1.70 -0.72 3.42 0.00 0.00 0.34 -5.14 105.19 104.80 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 -1.06 0.00 0.00 0.00 173.32 172.26 1ggw n GLN 37 N -0.84 0.54 -4.03 1.61 1.13 -1.20 -4.79 117.38 109.79 1ggw n GLN 37 Ca 0.00 -3.53 -0.33 0.00 -1.94 0.00 0.00 57.00 51.21 1ggw n GLN 37 Cb 0.00 2.08 -0.15 0.00 0.11 0.00 0.00 30.24 32.28 1ggw n GLN 37 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ggw s ASN 38 N -3.55 4.51 0.26 1.08 3.04 -1.26 -1.22 114.94 117.80 1ggw s ASN 38 Ca 0.25 -1.34 0.00 0.00 0.04 0.00 0.00 52.86 51.80 1ggw s ASN 38 Cb 0.01 -1.59 0.00 0.00 -1.54 0.00 0.00 41.25 38.14 1ggw s ASN 38 CO 0.17 -0.20 0.00 -0.81 -3.04 0.00 0.00 177.10 173.22 1ggw n PRO 39 N 4.48 0.82 -3.62 0.43 -0.04 -1.26 -5.03 135.00 130.78 1ggw n PRO 39 Ca -0.14 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.12 1ggw n PRO 39 Cb 0.43 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.17 3.41 0.39 0.52 -4.23 -1.26 -5.00 115.64 109.30 1ggw s THR 40 Ca 0.00 -1.26 0.12 0.00 -1.18 0.00 0.00 61.69 59.37 1ggw s THR 40 Cb 0.00 -3.17 0.33 0.00 1.34 0.00 0.00 72.50 71.00 1ggw s THR 40 CO 0.00 -0.12 1.91 -0.07 -0.54 0.00 0.00 174.62 175.81 1ggw h LEU 41 N 1.07 0.53 -1.32 4.79 -0.00 -1.99 0.45 115.31 118.84 1ggw h LEU 41 Ca -0.44 0.02 0.03 0.00 -0.00 0.00 0.00 57.88 57.49 1ggw h LEU 41 Cb 1.26 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.80 1ggw h LEU 41 CO 0.56 0.29 0.48 0.00 -0.00 0.00 0.00 178.44 179.76 1ggw h ALA 42 N 1.63 1.56 0.42 1.53 0.00 -1.98 0.11 119.26 122.52 1ggw h ALA 42 Ca 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1ggw h ALA 42 Cb 0.68 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ggw h ALA 42 CO -0.14 0.38 -0.20 0.93 0.00 0.00 0.00 179.25 180.21 1ggw h GLU 43 N 0.90 -0.55 -0.24 0.00 4.39 -1.30 -0.33 114.58 117.46 1ggw h GLU 43 Ca 0.28 0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.04 1ggw h GLU 43 Cb 0.01 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1ggw h GLU 43 CO -0.08 -0.24 0.09 -0.84 -1.16 0.00 0.00 179.01 176.78 1ggw h ILE 44 N -0.92 0.95 -0.89 3.13 -2.65 -1.31 -1.43 117.51 114.37 1ggw h ILE 44 Ca -0.06 -0.07 0.04 0.00 1.03 0.00 0.00 64.86 65.81 1ggw h ILE 44 Cb 0.56 0.73 -0.06 0.00 -2.05 0.00 0.00 36.82 36.00 1ggw h ILE 44 CO 0.09 0.04 0.57 0.74 0.03 0.00 0.00 178.15 179.62 1ggw h THR 45 N 0.20 1.11 -0.75 0.16 2.02 -0.85 -1.18 112.91 113.63 1ggw h THR 45 Ca 0.10 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.95 1ggw h THR 45 Cb 0.07 -0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 1ggw h THR 45 CO -0.10 0.20 0.46 -0.08 0.37 0.00 0.00 175.52 176.37 1ggw h GLU 46 N 1.08 0.86 -0.14 6.66 4.57 -0.37 -1.30 114.58 125.94 1ggw h GLU 46 Ca 0.37 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.49 1ggw h GLU 46 Cb 0.06 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1ggw h GLU 46 CO -0.14 0.57 0.06 0.82 -1.18 0.00 0.00 179.01 179.14 1ggw h ILE 47 N 0.88 1.15 -0.14 2.32 2.04 -0.42 -2.32 117.51 121.01 1ggw h ILE 47 Ca 0.31 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1ggw h ILE 47 Cb 0.08 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1ggw h ILE 47 CO -0.13 0.13 0.17 -0.33 0.00 0.00 0.00 178.15 177.99 1ggw h GLU 48 N 0.08 0.00 0.00 2.37 5.08 -0.70 -1.34 114.58 120.07 1ggw h GLU 48 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1ggw h GLU 48 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ggw h GLU 48 CO -0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 1ggw n SER 49 N -3.74 0.46 -0.10 1.42 7.64 -0.54 -1.99 113.62 116.76 1ggw n SER 49 Ca 0.01 0.67 0.01 0.00 1.01 0.00 0.00 58.87 60.57 1ggw n SER 49 Cb 0.28 -0.75 0.02 0.00 -1.01 0.00 0.00 64.21 62.76 1ggw n SER 49 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ggw n THR 50 N -2.07 0.75 -3.97 0.44 -2.24 -0.51 -5.03 114.28 101.65 1ggw n THR 50 Ca 0.00 -0.87 -0.09 0.00 -2.27 0.00 0.00 64.05 60.82 1ggw n THR 50 Cb 0.10 0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.79 2.10 0.29 3.22 1.43 -0.84 -5.09 118.68 118.99 1ggw s LEU 51 Ca 0.04 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 1ggw s LEU 51 Cb 0.02 0.26 -0.15 0.00 0.03 0.00 0.00 46.19 46.35 1ggw s LEU 51 CO 0.03 -0.36 0.26 -2.65 0.23 0.00 0.00 176.35 173.85 1ggw n PRO 52 N 1.34 0.00 -0.18 1.29 -0.02 -1.26 -4.77 135.00 131.40 1ggw n PRO 52 Ca -0.22 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.22 1ggw n PRO 52 Cb 0.56 -0.92 -0.03 0.00 -0.02 0.00 0.00 33.50 33.10 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 -0.52 -0.23 -2.67 3.55 0.00 -1.26 -3.90 120.51 115.48 1ggw n ALA 53 Ca 0.13 0.39 -0.39 0.00 0.00 0.00 0.00 53.44 53.57 1ggw n ALA 53 Cb 0.30 -0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 1ggw n ALA 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ggw s GLU 54 N -5.27 4.21 -1.14 0.00 2.02 -1.26 -4.92 118.70 112.35 1ggw s GLU 54 Ca -0.05 0.38 -0.17 0.00 0.02 0.00 0.00 54.97 55.14 1ggw s GLU 54 Cb 0.06 -3.53 0.13 0.00 0.10 0.00 0.00 34.13 30.88 1ggw s GLU 54 CO 0.28 -0.07 1.42 0.08 0.02 0.00 0.00 175.26 176.99 1ggw s VAL 55 N 1.39 4.67 0.91 2.63 1.01 -0.97 -4.82 120.40 125.22 1ggw s VAL 55 Ca 0.23 -2.05 -0.13 0.00 0.00 0.00 0.00 61.98 60.02 1ggw s VAL 55 Cb -0.15 -4.95 0.18 0.00 0.00 0.00 0.00 36.38 31.46 1ggw s VAL 55 CO 0.09 -1.70 1.26 1.51 0.00 0.00 0.00 175.10 176.26 1ggw s ASP 56 N 3.51 3.41 0.32 3.32 1.47 -1.26 -2.32 116.67 125.12 1ggw s ASP 56 Ca 0.43 0.22 0.07 0.00 1.18 0.00 0.00 52.55 54.44 1ggw s ASP 56 Cb -0.02 -0.35 0.91 0.00 -0.34 0.00 0.00 42.92 43.12 1ggw s ASP 56 CO -0.02 -2.54 1.58 0.24 0.68 0.00 0.00 175.17 175.11 1ggw h MET 57 N -1.43 0.02 0.10 2.11 2.86 -1.93 0.14 114.93 116.80 1ggw h MET 57 Ca -0.43 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1ggw h MET 57 Cb 1.25 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1ggw h MET 57 CO 0.41 0.02 -0.05 1.49 1.06 0.00 0.00 176.91 179.83 1ggw h GLU 58 N 0.02 -0.13 0.12 1.72 4.81 -1.91 -1.50 114.58 117.72 1ggw h GLU 58 Ca 0.66 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.91 1ggw h GLU 58 Cb 1.49 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.88 1ggw h GLU 58 CO -0.86 0.25 -0.14 1.96 -0.73 0.00 0.00 179.01 179.49 1ggw h GLN 59 N -0.52 -0.28 -0.15 1.92 7.50 -1.29 0.29 115.11 122.58 1ggw h GLN 59 Ca -0.01 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.16 1ggw h GLN 59 Cb 0.43 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 1ggw h GLN 59 CO 0.02 -0.19 0.10 0.35 -1.50 0.00 0.00 178.83 177.61 1ggw h PHE 60 N -0.29 0.20 -0.75 2.96 3.57 -0.93 -2.57 116.94 119.13 1ggw h PHE 60 Ca 0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1ggw h PHE 60 Cb 0.29 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1ggw h PHE 60 CO -0.13 0.14 0.40 -0.07 -2.23 0.00 0.00 178.31 176.42 1ggw h LEU 61 N 0.19 0.94 0.05 0.59 3.38 -1.13 -2.02 115.31 117.31 1ggw h LEU 61 Ca 0.06 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ggw h LEU 61 Cb 0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1ggw h LEU 61 CO -0.01 0.76 -0.27 -0.61 0.09 0.00 0.00 178.44 178.40 1ggw h GLN 62 N 1.05 -0.42 -0.41 1.13 -0.00 -0.03 0.59 115.11 117.02 1ggw h GLN 62 Ca 0.26 0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.90 1ggw h GLN 62 Cb 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.60 1ggw h GLN 62 CO -0.04 -0.28 0.06 -0.39 0.00 0.00 0.00 178.83 178.18 1ggw h VAL 63 N -0.44 1.20 -0.12 2.39 -1.51 -1.35 -2.60 116.25 113.83 1ggw h VAL 63 Ca 0.05 -0.76 -0.14 0.00 -1.23 0.00 0.00 66.70 64.62 1ggw h VAL 63 Cb 0.50 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 1ggw h VAL 63 CO -0.20 0.27 -0.53 0.25 -1.23 0.00 0.00 177.57 176.14 1ggw h LEU 64 N 0.61 0.39 -4.11 4.19 5.85 -0.64 -3.17 115.31 118.43 1ggw h LEU 64 Ca 0.13 -0.20 -0.59 0.00 0.84 0.00 0.00 57.88 58.07 1ggw h LEU 64 Cb 0.29 -0.11 -0.24 0.00 0.37 0.00 0.00 40.66 40.98 1ggw h LEU 64 CO 0.00 0.84 0.74 0.59 -0.34 0.00 0.00 178.44 180.28 1ggw n ASN 65 N -3.94 7.23 0.35 1.25 5.03 0.20 -4.65 115.26 120.73 1ggw n ASN 65 Ca -0.02 -3.55 -0.14 0.00 0.87 0.00 0.00 54.58 51.74 1ggw n ASN 65 Cb 0.57 -1.05 -0.07 0.00 -1.02 0.00 0.00 39.78 38.22 1ggw n ASN 65 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1ggw h ARG 66 N 2.16 -0.87 -0.68 3.52 2.43 -1.53 -3.25 114.38 116.17 1ggw h ARG 66 Ca 0.50 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1ggw h ARG 66 Cb 0.68 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1ggw h ARG 66 CO 1.28 -0.58 0.00 -0.35 -1.51 0.00 0.00 179.97 178.80 1ggw n PRO 67 N -4.61 2.65 0.00 0.20 -0.04 -1.26 -4.89 135.00 127.04 1ggw n PRO 67 Ca -0.11 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1ggw n PRO 67 Cb 0.36 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 0.38 0.00 0.00 3.54 2.85 -1.22 -4.77 115.26 116.03 1ggw n ASN 68 Ca 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1ggw n ASN 68 Cb 0.61 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.63 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ggw n GLY 69 N 0.00 -1.83 0.58 8.20 0.00 -1.26 -4.81 105.19 106.07 1ggw n GLY 69 Ca 0.00 0.63 -0.05 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 0.00 -3.16 1.61 3.72 -1.26 -4.32 117.46 114.05 1ggw n PHE 70 Ca 0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 1ggw n PHE 70 Cb 0.00 -0.26 -0.00 0.00 -0.94 0.00 0.00 39.48 38.28 1ggw n PHE 70 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ggw s ASP 71 N -5.97 7.11 0.00 4.37 -1.08 -1.26 -4.24 116.67 115.60 1ggw s ASP 71 Ca -0.14 -3.15 0.00 0.00 -0.52 0.00 0.00 52.55 48.74 1ggw s ASP 71 Cb 0.02 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1ggw s ASP 71 CO 0.21 -0.56 0.00 0.80 0.52 0.00 0.00 175.17 176.14 1ggw n MET 72 N 4.27 0.00 -1.64 4.34 1.56 -1.26 -4.97 117.12 119.43 1ggw n MET 72 Ca 0.28 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.53 1ggw n MET 72 Cb 0.42 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.73 1ggw n MET 72 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 1ggw s PRO 73 N 0.00 1.79 -1.21 2.12 0.02 -1.26 -2.52 135.00 133.94 1ggw s PRO 73 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 61.00 61.51 1ggw s PRO 73 Cb 0.00 -4.79 0.00 0.00 0.02 0.00 0.00 34.50 29.73 1ggw s PRO 73 CO 0.00 -4.16 0.00 0.41 -0.33 0.00 0.00 177.00 172.92 1ggw n GLY 74 N 6.71 0.58 3.89 0.52 0.00 -1.26 -5.02 105.19 110.62 1ggw n GLY 74 Ca 0.44 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.64 3.97 0.26 1.61 1.11 -1.05 -4.85 116.67 115.09 1ggw s ASP 75 Ca 0.00 0.65 -0.02 0.00 0.18 0.00 0.00 52.55 53.36 1ggw s ASP 75 Cb 0.00 -1.02 0.48 0.00 1.07 0.00 0.00 42.92 43.45 1ggw s ASP 75 CO 0.00 -2.23 1.79 -0.65 1.18 0.00 0.00 175.17 175.26 1ggw h PRO 76 N -1.28 0.72 0.00 8.23 0.11 -1.95 -0.21 132.00 137.62 1ggw h PRO 76 Ca -0.46 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1ggw h PRO 76 Cb 1.30 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1ggw h PRO 76 CO 0.57 0.48 -0.26 0.93 -0.21 0.00 0.00 178.00 179.51 1ggw h GLU 77 N 0.74 0.00 0.04 1.05 5.08 -1.93 -2.18 114.58 117.38 1ggw h GLU 77 Ca 0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1ggw h GLU 77 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ggw h GLU 77 CO -0.30 0.26 -0.02 1.49 -1.00 0.00 0.00 179.01 179.45 1ggw h GLU 78 N 0.00 -0.05 -0.42 2.33 4.57 -1.29 -1.69 114.58 118.04 1ggw h GLU 78 Ca -0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1ggw h GLU 78 Cb 0.58 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1ggw h GLU 78 CO 0.03 0.36 -0.12 0.27 -1.18 0.00 0.00 179.01 178.38 1ggw h PHE 79 N -0.48 0.83 -0.71 0.92 -5.15 -1.43 -2.74 116.94 108.18 1ggw h PHE 79 Ca -0.01 -0.15 -0.07 0.00 -0.20 0.00 0.00 57.97 57.54 1ggw h PHE 79 Cb 0.44 -0.21 -0.03 0.00 0.22 0.00 0.00 35.95 36.37 1ggw h PHE 79 CO 0.07 0.83 0.15 0.28 -2.00 0.00 0.00 178.31 177.64 1ggw h VAL 80 N 0.68 1.26 -0.13 0.88 2.07 -1.40 -1.30 116.25 118.30 1ggw h VAL 80 Ca 0.11 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1ggw h VAL 80 Cb 0.59 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1ggw h VAL 80 CO 0.04 0.38 0.07 0.50 0.02 0.00 0.00 177.57 178.58 1ggw h LYS 81 N 1.08 0.19 -0.59 1.57 1.63 -1.12 0.00 116.57 119.33 1ggw h LYS 81 Ca 0.22 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.91 1ggw h LYS 81 Cb 0.40 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 1ggw h LYS 81 CO 0.01 0.22 0.04 0.78 -3.45 0.00 0.00 179.45 177.05 1ggw h GLY 82 N 0.11 1.09 2.00 5.01 0.00 -1.41 -2.77 103.07 107.11 1ggw h GLY 82 Ca 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 1ggw h GLY 82 CO -0.01 0.71 -0.23 0.74 0.00 0.00 0.00 176.54 177.76 1ggw h PHE 83 N 0.91 0.00 0.00 5.60 -1.00 -1.13 -2.76 116.94 118.56 1ggw h PHE 83 Ca 0.17 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1ggw h PHE 83 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 1ggw h PHE 83 CO 0.04 0.23 0.00 1.96 -1.61 0.00 0.00 178.31 178.92 1ggw h GLN 84 N 0.00 0.00 -0.29 1.51 1.08 -0.69 -3.32 115.11 113.40 1ggw h GLN 84 Ca -0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 1ggw h GLN 84 Cb 0.69 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.04 1ggw h GLN 84 CO 0.03 0.00 -0.55 0.28 -0.95 0.00 0.00 178.83 177.64 1ggw h VAL 85 N 0.00 0.00 -1.23 -0.54 2.07 -1.46 -2.48 116.25 112.62 1ggw h VAL 85 Ca 0.00 0.00 -0.64 0.00 0.82 0.00 0.00 66.70 66.88 1ggw h VAL 85 Cb 0.55 0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 29.96 1ggw h VAL 85 CO 0.00 0.00 0.06 0.33 0.02 0.00 0.00 177.57 177.98 1ggw n PHE 86 N -5.40 3.08 -2.76 1.57 -0.00 -1.25 -4.65 117.46 108.05 1ggw n PHE 86 Ca -0.05 -2.66 -0.10 0.00 -0.00 0.00 0.00 57.45 54.64 1ggw n PHE 86 Cb 0.36 -0.77 0.03 0.00 -0.00 0.00 0.00 39.48 39.09 1ggw n PHE 86 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1ggw n ASP 87 N -0.69 1.10 0.08 -2.13 2.03 -0.93 -4.94 116.55 111.07 1ggw n ASP 87 Ca 0.50 -2.76 -0.13 0.00 0.52 0.00 0.00 54.79 52.92 1ggw n ASP 87 Cb 0.67 -0.43 -0.08 0.00 -0.72 0.00 0.00 41.12 40.56 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 2.95 -0.14 0.00 -0.67 1.79 -1.83 -3.42 116.57 115.25 1ggw h LYS 88 Ca -0.08 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1ggw h LYS 88 Cb 1.15 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1ggw h LYS 88 CO 0.46 -0.01 -0.29 -3.47 -1.08 0.00 0.00 179.45 175.06 1ggw n ASP 89 N -5.11 1.24 -2.58 0.86 -0.08 -1.26 -5.12 116.55 104.50 1ggw n ASP 89 Ca -0.08 0.17 -0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1ggw n ASP 89 Cb 0.12 -0.41 -0.00 0.00 2.34 0.00 0.00 41.12 43.17 1ggw n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ggw n ALA 90 N -3.68 -3.47 -2.51 -1.67 0.00 -1.26 -4.94 120.51 102.98 1ggw n ALA 90 Ca -0.04 0.61 -0.37 0.00 0.00 0.00 0.00 53.44 53.64 1ggw n ALA 90 Cb 0.14 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.40 1ggw n ALA 90 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ggw n THR 91 N 0.72 4.60 -0.25 0.00 5.66 -1.26 -4.71 114.28 119.04 1ggw n THR 91 Ca -0.03 -5.42 0.00 0.00 -3.05 0.00 0.00 64.05 55.55 1ggw n THR 91 Cb 0.05 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.41 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ggw n GLY 92 N -0.25 0.52 3.65 1.09 0.00 -1.26 -5.12 105.19 103.81 1ggw n GLY 92 Ca 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 0.32 0.23 -0.15 1.61 0.23 -1.26 -4.30 119.30 115.98 1ggw s MET 93 Ca 0.00 0.32 -0.01 0.00 -1.03 0.00 0.00 55.69 54.97 1ggw s MET 93 Cb 0.00 0.09 -0.09 0.00 -1.53 0.00 0.00 34.83 33.30 1ggw s MET 93 CO 0.00 -0.04 -0.15 1.51 -2.03 0.00 0.00 175.02 174.32 1ggw n ILE 94 N 2.48 0.82 -2.02 3.16 0.00 -1.26 -4.77 119.36 117.78 1ggw n ILE 94 Ca -0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 62.75 62.30 1ggw n ILE 94 Cb 0.57 -1.20 0.00 0.00 0.00 0.00 0.00 39.64 39.01 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 2.60 -1.33 0.42 4.50 0.00 -1.22 -4.72 105.19 105.45 1ggw n GLY 95 Ca -0.27 0.37 0.32 0.00 0.00 0.00 0.00 46.02 46.44 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 0.86 0.21 -1.05 1.61 2.07 0.81 0.19 116.25 120.94 1ggw h VAL 96 Ca 0.00 -0.06 0.28 0.00 0.82 0.00 0.00 66.70 67.74 1ggw h VAL 96 Cb 0.33 0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.01 1ggw h VAL 96 CO 0.07 0.03 0.65 1.23 0.02 0.00 0.00 177.57 179.57 1ggw h GLY 97 N 0.17 1.55 0.34 2.17 0.00 -1.79 0.44 103.07 105.96 1ggw h GLY 97 Ca 0.77 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.86 1ggw h GLY 97 CO -0.45 -0.23 -0.02 -2.09 0.00 0.00 0.00 176.54 173.74 1ggw h GLU 98 N 0.43 -0.06 -0.77 4.80 4.22 -0.90 -2.56 114.58 119.73 1ggw h GLU 98 Ca 0.65 0.00 0.04 0.00 0.08 0.00 0.00 59.36 60.13 1ggw h GLU 98 Cb 1.52 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.74 1ggw h GLU 98 CO -0.40 0.53 0.51 1.37 -2.18 0.00 0.00 179.01 178.84 1ggw h LEU 99 N -0.72 0.79 -0.14 1.64 8.10 -1.20 -2.38 115.31 121.40 1ggw h LEU 99 Ca -0.01 -0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 1ggw h LEU 99 Cb 0.62 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.66 1ggw h LEU 99 CO 0.01 0.53 0.01 -0.09 -4.11 0.00 0.00 178.44 174.80 1ggw h ARG 100 N 0.91 0.24 -0.93 0.17 1.12 -0.23 -2.05 114.38 113.61 1ggw h ARG 100 Ca 0.31 -0.07 0.14 0.00 -1.11 0.00 0.00 59.98 59.26 1ggw h ARG 100 Cb 0.10 -0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 29.96 1ggw h ARG 100 CO -0.10 0.44 0.59 -0.92 -3.11 0.00 0.00 179.97 176.88 1ggw h TYR 101 N -0.00 0.92 -0.03 2.20 3.20 -1.00 0.25 116.97 122.50 1ggw h TYR 101 Ca 0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1ggw h TYR 101 Cb 0.32 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 1ggw h TYR 101 CO 0.02 0.33 -0.05 0.28 -1.64 0.00 0.00 178.16 177.11 1ggw h VAL 102 N 0.77 1.41 -0.57 1.81 2.07 -1.30 -2.80 116.25 117.64 1ggw h VAL 102 Ca 0.47 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1ggw h VAL 102 Cb 0.68 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1ggw h VAL 102 CO -0.23 0.35 0.06 -0.07 0.02 0.00 0.00 177.57 177.70 1ggw h LEU 103 N -0.42 0.90 -1.08 2.57 3.38 -0.79 -2.80 115.31 117.08 1ggw h LEU 103 Ca 0.00 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1ggw h LEU 103 Cb 0.59 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1ggw h LEU 103 CO 0.01 0.92 -0.02 0.71 0.09 0.00 0.00 178.44 180.15 1ggw h THR 104 N 0.88 1.22 0.00 0.22 1.35 -0.58 -2.16 112.91 113.84 1ggw h THR 104 Ca 0.18 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1ggw h THR 104 Cb 0.43 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1ggw h THR 104 CO 0.01 0.31 0.00 -1.28 -0.25 0.00 0.00 175.52 174.32 1ggw h SER 105 N 0.59 0.00 0.47 5.36 0.87 -1.22 -2.12 113.55 117.50 1ggw h SER 105 Ca 0.12 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1ggw h SER 105 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1ggw h SER 105 CO 0.02 0.00 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.02 1ggw h LEU 106 N 0.00 -0.54 -5.00 2.23 3.38 -1.32 -3.45 115.31 110.61 1ggw h LEU 106 Ca 0.00 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1ggw h LEU 106 Cb 0.34 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 1ggw h LEU 106 CO 0.00 -0.18 0.01 0.61 0.09 0.00 0.00 178.44 178.97 1ggw n GLY 107 N 0.01 -0.23 3.49 0.83 0.00 -1.21 -4.99 105.19 103.09 1ggw n GLY 107 Ca -0.08 0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.38 -7.06 0.00 1.61 4.71 -0.80 -5.02 120.64 113.70 1ggw n GLU 108 Ca -0.17 0.84 0.00 0.00 -0.01 0.00 0.00 57.16 57.82 1ggw n GLU 108 Cb 0.71 -5.87 0.00 0.00 -1.01 0.00 0.00 31.44 25.27 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 -4.42 2.73 -1.96 3.49 3.00 -1.22 -4.64 118.16 115.14 1ggw n LYS 109 Ca -0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.83 1ggw n LYS 109 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.60 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 3.03 0.00 3.14 4.77 -1.26 -4.85 117.00 121.83 1ggw n LEU 110 Ca 0.00 -3.11 -0.07 0.00 -0.03 0.00 0.00 56.01 52.79 1ggw n LEU 110 Cb 0.00 -1.69 0.07 0.00 -2.33 0.00 0.00 43.42 39.47 1ggw n LEU 110 CO 0.00 -1.84 0.11 -1.54 -1.33 0.00 0.00 177.39 172.80 1ggw n SER 111 N 14.23 -1.99 -0.17 -1.43 3.41 -1.26 -4.57 113.62 121.83 1ggw n SER 111 Ca 0.45 -0.41 0.25 0.00 -0.26 0.00 0.00 58.87 58.90 1ggw n SER 111 Cb 0.46 -0.25 0.67 0.00 -0.26 0.00 0.00 64.21 64.84 1ggw n SER 111 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ggw h ASN 112 N -1.98 0.09 0.11 4.04 7.08 -1.93 -1.95 115.58 121.05 1ggw h ASN 112 Ca -0.10 0.01 -0.01 0.00 -3.08 0.00 0.00 56.30 53.13 1ggw h ASN 112 Cb 0.32 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.56 1ggw h ASN 112 CO 0.06 0.04 -0.05 -0.08 -2.08 0.00 0.00 177.43 175.32 1ggw h GLU 113 N 0.09 -0.14 0.21 4.14 4.57 -1.97 0.49 114.58 121.97 1ggw h GLU 113 Ca 0.42 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1ggw h GLU 113 Cb 1.51 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.12 1ggw h GLU 113 CO -0.05 -0.01 -0.15 1.49 -1.18 0.00 0.00 179.01 179.11 1ggw h GLU 114 N -0.24 -0.35 0.00 1.92 4.57 -1.64 -2.14 114.58 116.70 1ggw h GLU 114 Ca -0.01 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1ggw h GLU 114 Cb 0.19 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1ggw h GLU 114 CO 0.02 -0.23 -0.19 0.00 -1.18 0.00 0.00 179.01 177.43 1ggw h MET 115 N -0.36 0.00 -0.21 1.92 -0.00 -1.50 -2.78 114.93 112.00 1ggw h MET 115 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.70 1ggw h MET 115 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.90 1ggw h MET 115 CO -0.00 0.19 0.08 -0.44 -0.00 0.00 0.00 176.91 176.74 1ggw h ASP 116 N 0.00 0.11 -0.36 -0.10 3.32 0.65 0.31 116.42 120.35 1ggw h ASP 116 Ca -0.00 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1ggw h ASP 116 Cb 0.45 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1ggw h ASP 116 CO 0.02 0.09 0.11 -0.33 -1.72 0.00 0.00 179.24 177.41 1ggw h GLU 117 N 0.19 0.57 -0.89 3.56 5.08 -1.25 -1.89 114.58 119.95 1ggw h GLU 117 Ca 0.09 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1ggw h GLU 117 Cb 0.04 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1ggw h GLU 117 CO -0.08 0.59 0.58 1.37 -1.00 0.00 0.00 179.01 180.47 1ggw h LEU 118 N 0.44 0.97 -0.96 1.33 8.10 -1.21 -2.00 115.31 121.98 1ggw h LEU 118 Ca 0.12 -0.01 -0.06 0.00 0.11 0.00 0.00 57.88 58.04 1ggw h LEU 118 Cb 0.27 -0.22 -0.03 0.00 -0.44 0.00 0.00 40.66 40.24 1ggw h LEU 118 CO -0.00 0.67 0.12 -0.07 -4.11 0.00 0.00 178.44 175.05 1ggw h LEU 119 N 1.13 0.82 -1.10 0.17 3.38 -0.14 -2.27 115.31 117.31 1ggw h LEU 119 Ca 0.35 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1ggw h LEU 119 Cb -0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1ggw h LEU 119 CO -0.11 0.82 0.18 0.50 0.09 0.00 0.00 178.44 179.92 1ggw h LYS 120 N 0.84 0.82 -0.15 1.13 3.64 -0.61 -3.05 116.57 119.18 1ggw h LYS 120 Ca 0.18 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1ggw h LYS 120 Cb 0.33 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1ggw h LYS 120 CO 0.00 0.70 -0.30 0.78 -2.27 0.00 0.00 179.45 178.36 1ggw h GLY 121 N 0.95 0.51 -5.25 5.01 0.00 -1.08 -3.43 103.07 99.78 1ggw h GLY 121 Ca 0.18 -0.61 -0.57 0.00 0.00 0.00 0.00 47.33 46.33 1ggw h GLY 121 CO -0.01 0.55 0.10 0.14 0.00 0.00 0.00 176.54 177.31 1ggw s VAL 122 N -4.01 5.04 -1.22 4.60 1.01 -0.89 -4.97 120.40 119.97 1ggw s VAL 122 Ca -0.13 1.37 -0.09 0.00 0.00 0.00 0.00 61.98 63.13 1ggw s VAL 122 Cb 0.06 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.31 1ggw s VAL 122 CO 0.79 0.22 2.94 -0.81 0.00 0.00 0.00 175.10 178.24 1ggw n PRO 123 N 4.09 3.14 -3.92 2.72 -0.04 -1.26 -4.80 135.00 134.92 1ggw n PRO 123 Ca -0.01 -1.86 -0.20 0.00 -0.04 0.00 0.00 63.50 61.39 1ggw n PRO 123 Cb 0.51 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.32 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 3.46 0.00 -5.17 0.52 0.24 -1.26 -5.13 118.33 110.98 1ggw n VAL 124 Ca 0.67 -1.92 -0.32 0.00 -2.04 0.00 0.00 64.34 60.73 1ggw n VAL 124 Cb 0.34 0.71 -0.16 0.00 -1.47 0.00 0.00 33.84 33.25 1ggw n VAL 124 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ggw s LYS 125 N -3.24 2.95 0.00 7.34 2.36 -1.26 -4.61 119.74 123.28 1ggw s LYS 125 Ca 0.18 -0.86 0.00 0.00 -2.55 0.00 0.00 55.97 52.74 1ggw s LYS 125 Cb 0.01 -2.31 0.00 0.00 -1.05 0.00 0.00 37.83 34.48 1ggw s LYS 125 CO 0.13 0.24 0.00 -3.47 1.55 0.00 0.00 175.35 173.80 1ggw n ASP 126 N 3.35 -4.10 -2.05 1.43 -0.08 -1.26 -3.36 116.55 110.48 1ggw n ASP 126 Ca -0.18 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.02 1ggw n ASP 126 Cb 0.53 -1.91 0.04 0.00 2.34 0.00 0.00 41.12 42.11 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 -1.11 0.10 3.45 0.27 0.00 -1.26 -0.96 105.19 105.66 1ggw n GLY 127 Ca 0.00 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.59 3.31 0.00 1.61 0.00 -1.21 -0.91 119.30 117.51 1ggw s MET 128 Ca 0.00 -0.74 0.12 0.00 0.00 0.00 0.00 55.69 55.07 1ggw s MET 128 Cb -0.00 -3.61 0.20 0.00 0.00 0.00 0.00 34.83 31.42 1ggw s MET 128 CO 0.31 -0.44 1.05 0.28 0.00 0.00 0.00 175.02 176.22 1ggw n VAL 129 N 5.00 0.00 -1.78 10.11 0.31 -1.26 -4.77 118.33 125.93 1ggw n VAL 129 Ca -0.14 -0.46 -0.20 0.00 -0.01 0.00 0.00 64.34 63.54 1ggw n VAL 129 Cb 0.49 0.70 -0.06 0.00 -0.91 0.00 0.00 33.84 34.06 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 0.23 -5.26 0.00 4.52 2.85 -1.26 -4.61 115.26 111.73 1ggw n ASN 130 Ca 0.01 0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 1ggw n ASN 130 Cb 0.90 -4.60 0.00 0.00 1.24 0.00 0.00 39.78 37.32 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ggw n TYR 131 N -2.71 -0.61 0.00 1.20 4.19 -1.26 -4.74 117.16 113.23 1ggw n TYR 131 Ca -0.20 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.01 1ggw n TYR 131 Cb 0.65 0.13 0.00 0.00 0.49 0.00 0.00 39.34 40.61 1ggw n TYR 131 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1ggw n HIS 132 N 0.00 0.00 -0.32 2.98 8.25 -1.26 -4.34 115.22 120.52 1ggw n HIS 132 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1ggw n HIS 132 Cb 0.00 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.44 1ggw n HIS 132 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1ggw h ASP 133 N 0.00 0.76 0.27 0.41 3.58 -1.85 0.46 116.42 120.05 1ggw h ASP 133 Ca 0.00 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1ggw h ASP 133 Cb 0.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1ggw h ASP 133 CO 0.00 0.34 -0.13 -0.26 -2.88 0.00 0.00 179.24 176.31 1ggw h PHE 134 N 0.78 -0.34 -0.26 0.28 0.04 -1.92 -2.32 116.94 113.20 1ggw h PHE 134 Ca 0.51 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.25 1ggw h PHE 134 Cb 0.76 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 1ggw h PHE 134 CO -0.00 0.02 0.05 0.28 -0.60 0.00 0.00 178.31 178.06 1ggw h VAL 135 N -0.78 1.13 0.16 -0.55 2.07 -1.81 0.03 116.25 116.51 1ggw h VAL 135 Ca -0.04 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1ggw h VAL 135 Cb 0.51 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ggw h VAL 135 CO 0.06 0.17 -0.08 -0.61 0.02 0.00 0.00 177.57 177.13 1ggw h GLN 136 N 0.37 -0.21 -0.23 1.57 5.75 -0.10 -1.76 115.11 120.50 1ggw h GLN 136 Ca 0.09 0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.51 1ggw h GLN 136 Cb 0.16 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1ggw h GLN 136 CO -0.00 0.07 -0.26 1.98 -2.65 0.00 0.00 178.83 177.97 1ggw h MET 137 N -0.49 0.44 -0.37 1.69 4.05 -1.24 -3.09 114.93 115.92 1ggw h MET 137 Ca -0.02 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.21 1ggw h MET 137 Cb 0.38 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1ggw h MET 137 CO 0.04 0.67 0.16 0.82 0.23 0.00 0.00 176.91 178.83 1ggw h ILE 138 N 0.39 1.18 -1.24 1.77 2.04 -0.93 -3.09 117.51 117.63 1ggw h ILE 138 Ca 0.06 -0.54 -0.63 0.00 1.00 0.00 0.00 64.86 64.75 1ggw h ILE 138 Cb 0.67 0.85 -0.17 0.00 -0.74 0.00 0.00 36.82 37.43 1ggw h ILE 138 CO 0.05 0.19 1.26 0.18 0.00 0.00 0.00 178.15 179.84 1ggw n LEU 139 N -4.69 7.21 -3.18 1.44 4.32 -0.67 -4.75 117.00 116.68 1ggw n LEU 139 Ca -0.01 -4.53 0.05 0.00 -0.02 0.00 0.00 56.01 51.50 1ggw n LEU 139 Cb 0.13 -1.27 -0.02 0.00 -1.62 0.00 0.00 43.42 40.64 1ggw n LEU 139 CO 0.36 1.88 0.51 0.00 -1.22 0.00 0.00 177.39 178.93 1ggw s ALA 140 N -1.83 -3.12 0.00 -1.18 0.00 -1.17 -4.96 121.76 109.50 1ggw s ALA 140 Ca 0.55 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1ggw s ALA 140 Cb 0.30 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1ggw s ALA 140 CO -0.18 -1.37 0.16 0.09 0.00 0.00 0.00 175.76 174.46