#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 -9.58 -0.00 0.44 -1.04 -1.26 -4.98 114.28 97.85 1ggw n THR 3 Ca 0.00 -0.92 -0.01 0.00 -2.04 0.00 0.00 64.05 61.08 1ggw n THR 3 Cb 0.00 -6.69 -0.00 0.00 -1.82 0.00 0.00 70.33 61.81 1ggw n THR 3 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ggw n ASP 4 N -2.66 0.11 -4.56 8.00 2.03 -1.26 -4.96 116.55 113.25 1ggw n ASP 4 Ca -0.04 0.02 -0.41 0.00 0.52 0.00 0.00 54.79 54.88 1ggw n ASP 4 Cb 0.57 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ggw s ASP 5 N -5.13 5.93 0.04 1.67 1.11 -1.26 -4.89 116.67 114.15 1ggw s ASP 5 Ca -0.01 0.03 -0.22 0.00 0.18 0.00 0.00 52.55 52.53 1ggw s ASP 5 Cb 0.01 -2.55 -0.15 0.00 1.07 0.00 0.00 42.92 41.30 1ggw s ASP 5 CO 0.02 -1.92 1.43 -1.28 1.18 0.00 0.00 175.17 174.60 1ggw h SER 6 N 11.63 0.21 0.84 0.27 0.87 -1.94 0.37 113.55 125.79 1ggw h SER 6 Ca -0.27 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1ggw h SER 6 Cb 1.09 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1ggw h SER 6 CO 1.22 0.52 0.00 -0.81 -0.53 0.00 0.00 176.83 177.24 1ggw n PRO 7 N -4.76 0.09 0.04 2.24 -0.04 -1.26 -0.50 135.00 130.80 1ggw n PRO 7 Ca -0.06 0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1ggw n PRO 7 Cb 0.24 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1ggw n PRO 7 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ggw n TYR 8 N -1.45 0.00 0.12 0.54 4.01 -1.20 -4.51 117.16 114.66 1ggw n TYR 8 Ca 0.08 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.72 1ggw n TYR 8 Cb 0.29 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.24 1ggw n TYR 8 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ggw h LYS 9 N -0.05 -0.35 -0.16 -0.72 3.11 -0.66 -1.26 116.57 116.47 1ggw h LYS 9 Ca -0.00 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 1ggw h LYS 9 Cb 0.09 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1ggw h LYS 9 CO -0.00 -0.05 0.07 0.37 -2.81 0.00 0.00 179.45 177.04 1ggw h GLN 10 N -0.98 0.24 -0.85 1.90 5.75 -0.58 -2.54 115.11 118.05 1ggw h GLN 10 Ca -0.04 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1ggw h GLN 10 Cb 0.47 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.93 1ggw h GLN 10 CO 0.06 0.30 0.56 0.00 -2.65 0.00 0.00 178.83 177.10 1ggw h ALA 11 N 0.93 1.49 -0.35 3.38 0.00 -0.92 -2.11 119.26 121.68 1ggw h ALA 11 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ggw h ALA 11 Cb 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ggw h ALA 11 CO -0.01 0.42 0.20 0.35 0.00 0.00 0.00 179.25 180.21 1ggw h PHE 12 N 1.04 0.38 -0.04 0.00 3.04 -0.93 -2.08 116.94 118.35 1ggw h PHE 12 Ca 0.34 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.28 1ggw h PHE 12 Cb 0.06 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1ggw h PHE 12 CO -0.00 0.22 -0.12 1.03 -2.02 0.00 0.00 178.31 177.42 1ggw h SER 13 N 0.41 0.05 -0.89 0.41 0.87 -0.99 -2.71 113.55 110.70 1ggw h SER 13 Ca 0.14 -0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1ggw h SER 13 Cb 0.00 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 1ggw h SER 13 CO -0.06 0.17 0.58 -0.07 -0.53 0.00 0.00 176.83 176.92 1ggw h LEU 14 N 0.05 0.87 -3.73 2.23 3.38 -0.80 -1.80 115.31 115.51 1ggw h LEU 14 Ca 0.01 0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.52 1ggw h LEU 14 Cb 0.24 -0.18 -0.26 0.00 0.09 0.00 0.00 40.66 40.55 1ggw h LEU 14 CO 0.02 0.56 0.59 0.49 0.09 0.00 0.00 178.44 180.19 1ggw n PHE 15 N -4.49 2.66 -3.38 1.13 3.72 -1.02 -4.83 117.46 111.24 1ggw n PHE 15 Ca 0.13 -1.82 -0.45 0.00 -0.05 0.00 0.00 57.45 55.26 1ggw n PHE 15 Cb 0.21 -0.92 -0.04 0.00 -0.94 0.00 0.00 39.48 37.79 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 -1.02 6.46 0.42 4.37 1.11 -0.68 -4.85 116.67 122.48 1ggw s ASP 16 Ca 0.50 -2.58 0.21 0.00 0.18 0.00 0.00 52.55 50.87 1ggw s ASP 16 Cb 0.41 -2.16 0.90 0.00 1.07 0.00 0.00 42.92 43.14 1ggw s ASP 16 CO 0.08 -0.59 1.83 -0.09 1.18 0.00 0.00 175.17 177.58 1ggw h ARG 17 N 7.84 0.00 0.10 8.23 9.65 -1.88 -3.12 114.38 135.21 1ggw h ARG 17 Ca 0.03 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.60 1ggw h ARG 17 Cb 1.04 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.60 1ggw h ARG 17 CO 0.79 0.29 -1.65 0.45 2.80 0.00 0.00 179.97 182.65 1ggw h HIS 18 N 0.00 0.38 -0.15 2.20 3.86 -1.90 -3.48 115.15 116.05 1ggw h HIS 18 Ca -0.00 -0.28 -0.03 0.00 -1.16 0.00 0.00 60.37 58.90 1ggw h HIS 18 Cb 0.73 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 1ggw h HIS 18 CO 0.00 1.39 -0.03 0.41 0.86 0.00 0.00 177.93 180.56 1ggw n GLY 19 N 1.71 0.38 0.01 2.45 0.00 -1.18 -4.94 105.19 103.61 1ggw n GLY 19 Ca -0.19 -0.90 0.06 0.00 0.00 0.00 0.00 46.02 44.98 1ggw n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ggw n THR 20 N -3.62 0.00 0.00 2.61 -2.24 -1.26 -5.01 114.28 104.76 1ggw n THR 20 Ca -0.02 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1ggw n THR 20 Cb 0.34 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.85 1.60 3.18 3.38 0.00 -1.26 -5.10 105.19 108.84 1ggw n GLY 21 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 0.85 -0.01 1.61 0.52 -1.26 -3.19 118.95 117.46 1ggw s ARG 22 Ca 0.00 -0.98 0.01 0.00 -0.52 0.00 0.00 55.73 54.24 1ggw s ARG 22 Cb 0.00 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.60 1ggw s ARG 22 CO 0.00 0.19 -0.04 0.96 0.02 0.00 0.00 175.30 176.44 1ggw s ILE 23 N -1.28 0.31 0.71 1.52 -4.36 -0.81 -4.73 121.20 112.56 1ggw s ILE 23 Ca -0.01 -0.13 -0.06 0.00 -0.26 0.00 0.00 60.65 60.19 1ggw s ILE 23 Cb -0.10 -0.29 0.08 0.00 1.25 0.00 0.00 42.46 43.40 1ggw s ILE 23 CO 0.02 0.10 1.01 -2.16 0.24 0.00 0.00 174.94 174.16 1ggw s PRO 24 N 0.11 2.02 0.40 0.37 0.04 -1.26 -1.89 135.00 134.79 1ggw s PRO 24 Ca -0.01 -0.45 0.23 0.00 0.04 0.00 0.00 61.00 60.81 1ggw s PRO 24 Cb -0.04 -2.20 1.24 0.00 0.04 0.00 0.00 34.50 33.54 1ggw s PRO 24 CO -0.00 -1.31 1.69 1.57 0.04 0.00 0.00 177.00 178.98 1ggw h LYS 25 N -0.61 0.24 -0.49 4.56 2.10 -1.90 0.17 116.57 120.65 1ggw h LYS 25 Ca -0.43 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.20 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 0.54 0.16 0.30 1.79 -2.00 0.00 0.00 179.45 180.24 1ggw h THR 26 N 0.25 1.15 -0.14 0.07 1.35 -1.95 -2.15 112.91 111.48 1ggw h THR 26 Ca 0.72 -0.34 -0.08 0.00 -0.55 0.00 0.00 66.41 66.16 1ggw h THR 26 Cb 1.99 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1ggw h THR 26 CO -0.41 0.15 -0.22 0.28 -0.25 0.00 0.00 175.52 175.08 1ggw h SER 27 N 0.65 0.44 -0.46 5.36 0.02 -1.03 -3.20 113.55 115.34 1ggw h SER 27 Ca 0.18 -0.53 0.05 0.00 -0.84 0.00 0.00 61.79 60.65 1ggw h SER 27 Cb -0.01 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1ggw h SER 27 CO -0.03 0.88 0.31 0.40 -1.14 0.00 0.00 176.83 177.25 1ggw h ILE 28 N 0.01 0.98 0.11 3.27 1.08 -1.27 -0.28 117.51 121.41 1ggw h ILE 28 Ca 0.01 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1ggw h ILE 28 Cb 0.79 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1ggw h ILE 28 CO 0.05 0.07 -0.10 1.23 -0.69 0.00 0.00 178.15 178.72 1ggw h GLY 29 N 0.40 -0.72 2.00 5.37 0.00 -1.38 0.14 103.07 108.88 1ggw h GLY 29 Ca 0.20 0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.80 1ggw h GLY 29 CO -0.05 -0.26 -0.21 1.29 0.00 0.00 0.00 176.54 177.32 1ggw h ASP 30 N -0.20 0.00 0.04 0.19 3.04 -1.64 -2.82 116.42 115.03 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 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 1ggw h ASP 30 CO -0.00 0.21 -0.02 0.25 -2.04 0.00 0.00 179.24 177.63 1ggw h LEU 31 N 0.00 -0.05 -2.04 0.15 5.85 -0.88 -2.48 115.31 115.86 1ggw h LEU 31 Ca -0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1ggw h LEU 31 Cb 0.38 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1ggw h LEU 31 CO 0.03 0.06 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.07 1ggw h LEU 32 N -0.16 0.00 -0.92 2.25 3.38 -0.51 -2.36 115.31 116.99 1ggw h LEU 32 Ca -0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1ggw h LEU 32 Cb 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1ggw h LEU 32 CO 0.01 0.05 0.57 -0.09 0.09 0.00 0.00 178.44 179.07 1ggw h ARG 33 N 0.00 0.96 0.00 1.13 9.65 -0.83 -0.17 114.38 125.11 1ggw h ARG 33 Ca -0.00 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 1ggw h ARG 33 Cb 0.09 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1ggw h ARG 33 CO 0.01 0.63 -0.13 0.00 2.80 0.00 0.00 179.97 183.28 1ggw h ALA 34 N 1.46 1.44 -0.68 2.80 0.00 -1.42 -2.86 119.26 120.00 1ggw h ALA 34 Ca 0.43 -0.12 -0.49 0.00 0.00 0.00 0.00 54.91 54.73 1ggw h ALA 34 Cb 0.30 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.66 1ggw h ALA 34 CO -0.22 0.16 -0.83 0.00 0.00 0.00 0.00 179.25 178.37 1ggw n GLY 36 N -0.72 -0.67 3.45 0.00 0.00 -0.23 -5.00 105.19 102.03 1ggw n GLY 36 Ca 0.39 0.22 -0.24 0.00 0.00 0.00 0.00 46.02 46.39 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 1.87 -0.39 1.61 -0.21 -1.21 -4.77 119.66 116.56 1ggw s GLN 37 Ca 0.00 -2.13 0.04 0.00 0.02 0.00 0.00 55.36 53.29 1ggw s GLN 37 Cb 0.00 -0.36 0.11 0.00 1.00 0.00 0.00 33.01 33.76 1ggw s GLN 37 CO 0.00 -0.52 0.11 1.21 -2.12 0.00 0.00 175.29 173.97 1ggw s ASN 38 N -3.54 4.67 0.23 5.90 3.84 -1.26 -1.68 114.94 123.10 1ggw s ASN 38 Ca 0.28 -2.39 0.00 0.00 0.21 0.00 0.00 52.86 50.96 1ggw s ASN 38 Cb 0.02 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 39.08 1ggw s ASN 38 CO 0.18 -0.35 0.00 -0.81 -2.79 0.00 0.00 177.10 173.33 1ggw n PRO 39 N 3.95 0.93 -2.99 0.43 -0.04 -1.26 -5.06 135.00 130.95 1ggw n PRO 39 Ca 0.04 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 1ggw n PRO 39 Cb 0.39 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.05 3.10 0.43 0.52 -4.23 -1.26 -4.98 115.64 109.17 1ggw s THR 40 Ca 0.00 -0.91 0.14 0.00 -1.18 0.00 0.00 61.69 59.73 1ggw s THR 40 Cb 0.00 -3.07 0.33 0.00 1.34 0.00 0.00 72.50 71.10 1ggw s THR 40 CO 0.00 -0.03 1.97 -0.07 -0.54 0.00 0.00 174.62 175.95 1ggw h LEU 41 N 0.55 0.38 -0.96 4.79 -0.00 -1.99 -0.64 115.31 117.45 1ggw h LEU 41 Ca -0.41 0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.54 1ggw h LEU 41 Cb 1.28 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 41.81 1ggw h LEU 41 CO 0.48 0.23 0.61 0.00 -0.00 0.00 0.00 178.44 179.76 1ggw h ALA 42 N 1.68 1.32 0.36 1.53 0.00 -1.98 0.11 119.26 122.28 1ggw h ALA 42 Ca 0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1ggw h ALA 42 Cb 0.59 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ggw h ALA 42 CO -0.08 0.39 -0.17 0.93 0.00 0.00 0.00 179.25 180.32 1ggw h GLU 43 N 1.11 -0.46 -0.23 0.00 3.07 -1.50 -0.59 114.58 115.98 1ggw h GLU 43 Ca 0.41 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.31 1ggw h GLU 43 Cb 0.16 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1ggw h GLU 43 CO -0.17 -0.22 0.14 -0.84 -1.40 0.00 0.00 179.01 176.53 1ggw h ILE 44 N -0.64 1.04 -0.75 3.13 -2.65 -1.37 -2.27 117.51 114.00 1ggw h ILE 44 Ca -0.05 -0.10 0.10 0.00 1.03 0.00 0.00 64.86 65.84 1ggw h ILE 44 Cb 0.46 0.72 -0.07 0.00 -2.05 0.00 0.00 36.82 35.88 1ggw h ILE 44 CO 0.08 0.05 0.39 0.74 0.03 0.00 0.00 178.15 179.44 1ggw h THR 45 N 0.30 0.84 -0.94 0.16 2.02 -0.78 -0.06 112.91 114.45 1ggw h THR 45 Ca 0.09 -0.22 0.08 0.00 0.77 0.00 0.00 66.41 67.13 1ggw h THR 45 Cb -0.02 0.15 -0.07 0.00 -1.74 0.00 0.00 68.15 66.47 1ggw h THR 45 CO -0.03 0.12 0.60 -0.33 0.37 0.00 0.00 175.52 176.25 1ggw h GLU 46 N 0.64 0.98 -0.02 6.66 5.08 -0.56 -1.72 114.58 125.64 1ggw h GLU 46 Ca 0.37 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1ggw h GLU 46 Cb 0.40 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ggw h GLU 46 CO -0.28 0.65 0.01 0.82 -1.00 0.00 0.00 179.01 179.21 1ggw h ILE 47 N 1.01 1.12 -0.18 3.13 2.04 -0.49 -2.37 117.51 121.77 1ggw h ILE 47 Ca 0.42 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.97 1ggw h ILE 47 Cb 0.31 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1ggw h ILE 47 CO -0.18 0.10 0.22 -0.33 0.00 0.00 0.00 178.15 177.96 1ggw h GLU 48 N -0.12 0.00 0.00 2.37 5.08 -0.59 -1.32 114.58 120.00 1ggw h GLU 48 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ggw h GLU 48 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ggw h GLU 48 CO -0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 1ggw n SER 49 N -3.69 0.00 -0.01 1.42 3.41 -0.73 -3.35 113.62 110.66 1ggw n SER 49 Ca 0.02 0.38 -0.03 0.00 -0.26 0.00 0.00 58.87 58.98 1ggw n SER 49 Cb 0.34 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1ggw n SER 49 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ggw n THR 50 N -1.41 0.15 -3.31 6.66 -2.24 -0.51 -5.06 114.28 108.57 1ggw n THR 50 Ca 0.02 -0.04 -0.28 0.00 -2.27 0.00 0.00 64.05 61.48 1ggw n THR 50 Cb 0.06 -1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 67.07 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 -5.78 4.02 0.53 3.22 2.01 -1.16 -5.04 118.68 116.48 1ggw s LEU 51 Ca -0.04 0.67 -0.18 0.00 0.01 0.00 0.00 54.13 54.59 1ggw s LEU 51 Cb 0.01 -3.50 -0.14 0.00 0.01 0.00 0.00 46.19 42.57 1ggw s LEU 51 CO 0.05 -0.24 -0.00 -2.65 1.01 0.00 0.00 176.35 174.52 1ggw n PRO 52 N -1.18 0.10 -0.23 1.29 -0.02 -1.26 -4.64 135.00 129.05 1ggw n PRO 52 Ca -0.02 0.04 -0.06 0.00 -2.02 0.00 0.00 63.50 61.44 1ggw n PRO 52 Cb 0.54 -1.14 -0.06 0.00 -0.02 0.00 0.00 33.50 32.83 1ggw n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ggw n ALA 53 N -1.57 -0.36 -2.66 3.55 0.00 -1.26 -4.01 120.51 114.21 1ggw n ALA 53 Ca 0.09 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 1ggw n ALA 53 Cb 0.47 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 -4.71 4.23 -0.98 0.00 2.02 -1.26 -4.89 118.70 113.11 1ggw s GLU 54 Ca -0.07 0.97 -0.20 0.00 0.02 0.00 0.00 54.97 55.70 1ggw s GLU 54 Cb 0.06 -3.61 0.10 0.00 0.10 0.00 0.00 34.13 30.78 1ggw s GLU 54 CO 0.35 -0.43 1.26 0.08 0.02 0.00 0.00 175.26 176.54 1ggw s VAL 55 N 2.53 4.46 0.89 2.63 1.01 -0.79 -4.80 120.40 126.32 1ggw s VAL 55 Ca 0.36 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1ggw s VAL 55 Cb -0.16 -4.89 0.18 0.00 0.00 0.00 0.00 36.38 31.51 1ggw s VAL 55 CO 0.09 -1.67 1.22 1.51 0.00 0.00 0.00 175.10 176.26 1ggw s ASP 56 N 4.06 3.48 0.30 3.32 1.47 -1.26 -1.92 116.67 126.12 1ggw s ASP 56 Ca 0.38 0.07 0.00 0.00 1.18 0.00 0.00 52.55 54.18 1ggw s ASP 56 Cb -0.03 -0.21 0.71 0.00 -0.34 0.00 0.00 42.92 43.05 1ggw s ASP 56 CO -0.09 -2.47 1.58 0.24 0.68 0.00 0.00 175.17 175.11 1ggw h MET 57 N -1.30 0.03 0.14 2.11 2.86 -1.94 0.12 114.93 116.95 1ggw h MET 57 Ca -0.42 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.21 1ggw h MET 57 Cb 1.24 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1ggw h MET 57 CO 0.38 0.02 -0.07 1.49 1.06 0.00 0.00 176.91 179.79 1ggw h GLU 58 N 0.03 -0.19 -0.05 1.72 4.57 -1.92 -1.64 114.58 117.10 1ggw h GLU 58 Ca 0.57 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.79 1ggw h GLU 58 Cb 1.15 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 1ggw h GLU 58 CO -0.89 0.13 -0.10 1.96 -1.18 0.00 0.00 179.01 178.93 1ggw h GLN 59 N -0.51 -0.14 -0.12 1.92 7.50 -1.41 0.13 115.11 122.48 1ggw h GLN 59 Ca -0.02 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 1ggw h GLN 59 Cb 0.40 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.96 1ggw h GLN 59 CO 0.03 -0.09 0.07 0.35 -1.50 0.00 0.00 178.83 177.69 1ggw h PHE 60 N -0.14 0.15 -0.48 2.96 3.57 -0.92 -2.61 116.94 119.48 1ggw h PHE 60 Ca 0.06 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ggw h PHE 60 Cb 0.22 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1ggw h PHE 60 CO -0.19 0.15 0.24 -0.07 -2.23 0.00 0.00 178.31 176.21 1ggw h LEU 61 N 0.11 0.59 0.49 0.59 3.38 -1.12 -1.64 115.31 117.71 1ggw h LEU 61 Ca 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ggw h LEU 61 Cb 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ggw h LEU 61 CO -0.01 0.50 -0.25 -0.61 0.09 0.00 0.00 178.44 178.16 1ggw h GLN 62 N 0.66 -0.65 -0.52 1.13 5.75 -0.39 -0.50 115.11 120.60 1ggw h GLN 62 Ca 0.17 0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.66 1ggw h GLN 62 Cb 0.06 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1ggw h GLN 62 CO -0.02 -0.43 0.10 -0.39 -2.65 0.00 0.00 178.83 175.43 1ggw h VAL 63 N -0.67 1.23 -0.50 2.39 -1.51 -1.36 -2.87 116.25 112.96 1ggw h VAL 63 Ca -0.06 -0.85 -0.00 0.00 -1.23 0.00 0.00 66.70 64.56 1ggw h VAL 63 Cb 0.52 0.72 -0.02 0.00 -2.13 0.00 0.00 31.29 30.38 1ggw h VAL 63 CO 0.10 0.31 0.31 0.25 -1.23 0.00 0.00 177.57 177.31 1ggw h LEU 64 N 0.78 0.60 -4.78 4.19 5.85 -1.09 -2.90 115.31 117.94 1ggw h LEU 64 Ca 0.17 -0.05 -0.57 0.00 0.84 0.00 0.00 57.88 58.26 1ggw h LEU 64 Cb 0.33 -0.15 -0.18 0.00 0.37 0.00 0.00 40.66 41.02 1ggw h LEU 64 CO 0.00 0.47 0.76 0.59 -0.34 0.00 0.00 178.44 179.92 1ggw n ASN 65 N -4.70 6.83 0.11 1.25 3.02 -0.21 -4.69 115.26 116.86 1ggw n ASN 65 Ca 0.02 -3.29 -0.13 0.00 -0.03 0.00 0.00 54.58 51.15 1ggw n ASN 65 Cb 0.05 -1.23 -0.08 0.00 -0.61 0.00 0.00 39.78 37.91 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 3.24 -0.18 -1.46 3.52 2.43 -1.55 -2.95 114.38 117.43 1ggw h ARG 66 Ca 0.46 0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.38 1ggw h ARG 66 Cb 0.57 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.04 1ggw h ARG 66 CO 1.03 -0.09 0.33 -0.35 -1.51 0.00 0.00 179.97 179.39 1ggw n PRO 67 N -5.15 1.64 -4.33 0.20 -0.04 -1.26 -4.85 135.00 121.20 1ggw n PRO 67 Ca -0.08 -1.30 -0.32 0.00 -0.04 0.00 0.00 63.50 61.76 1ggw n PRO 67 Cb 0.12 -1.51 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 1ggw n PRO 67 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ggw n ASN 68 N 0.36 0.77 -3.39 3.54 6.94 -1.11 -4.90 115.26 117.48 1ggw n ASN 68 Ca 0.25 -1.28 -0.08 0.00 -0.02 0.00 0.00 54.58 53.45 1ggw n ASN 68 Cb 0.66 -1.59 -0.00 0.00 -2.36 0.00 0.00 39.78 36.49 1ggw n ASN 68 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ggw s GLY 69 N -4.31 0.20 -0.27 4.83 0.00 -1.26 -5.07 107.32 101.44 1ggw s GLY 69 Ca 0.06 -0.58 -0.14 0.00 0.00 0.00 0.00 44.72 44.06 1ggw s GLY 69 CO 1.00 -0.24 -0.35 0.69 0.00 0.00 0.00 173.10 174.20 1ggw n PHE 70 N -0.49 0.00 -0.86 1.90 3.01 -1.26 -4.56 117.46 115.19 1ggw n PHE 70 Ca -0.06 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.47 1ggw n PHE 70 Cb 0.60 -0.94 0.40 0.00 -0.01 0.00 0.00 39.48 39.52 1ggw n PHE 70 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ggw n ASP 71 N -4.24 5.63 -0.09 4.37 8.00 -1.26 -4.41 116.55 124.56 1ggw n ASP 71 Ca -0.51 -2.86 -0.22 0.00 0.71 0.00 0.00 54.79 51.91 1ggw n ASP 71 Cb 0.86 -0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 41.16 1ggw n ASP 71 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1ggw n MET 72 N 0.72 0.65 -0.16 -1.24 2.81 -1.26 -3.96 117.12 114.68 1ggw n MET 72 Ca 0.28 0.30 -0.05 0.00 -1.81 0.00 0.00 57.70 56.42 1ggw n MET 72 Cb 1.16 -1.62 0.01 0.00 -0.71 0.00 0.00 33.22 32.06 1ggw n MET 72 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1ggw h PRO 73 N -0.41 -0.15 0.00 0.03 0.11 -1.82 -3.42 132.00 126.34 1ggw h PRO 73 Ca -0.51 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ggw h PRO 73 Cb 1.75 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.89 1ggw h PRO 73 CO -0.13 -0.10 0.00 0.41 -0.21 0.00 0.00 178.00 177.97 1ggw n GLY 74 N -1.42 -1.80 3.88 -0.55 0.00 -1.26 -5.06 105.19 98.98 1ggw n GLY 74 Ca 0.04 0.89 -0.30 0.00 0.00 0.00 0.00 46.02 46.65 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 5.95 0.31 1.61 1.11 -1.25 -4.94 116.67 119.45 1ggw s ASP 75 Ca 0.00 1.25 0.03 0.00 0.18 0.00 0.00 52.55 54.01 1ggw s ASP 75 Cb 0.00 -2.24 0.60 0.00 1.07 0.00 0.00 42.92 42.34 1ggw s ASP 75 CO 0.00 -1.01 1.88 -0.65 1.18 0.00 0.00 175.17 176.57 1ggw h PRO 76 N -0.38 0.92 -0.20 8.23 0.11 -1.99 -0.96 132.00 137.74 1ggw h PRO 76 Ca -0.45 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1ggw h PRO 76 Cb 1.21 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1ggw h PRO 76 CO 0.62 0.61 -0.06 0.93 -0.21 0.00 0.00 178.00 179.90 1ggw h GLU 77 N 0.95 0.30 -0.27 1.05 5.08 -1.93 -2.00 114.58 117.75 1ggw h GLU 77 Ca 0.44 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1ggw h GLU 77 Cb 0.41 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1ggw h GLU 77 CO -0.20 0.37 -0.01 1.49 -1.00 0.00 0.00 179.01 179.66 1ggw h GLU 78 N 0.29 0.49 -0.65 2.33 4.81 -1.47 -1.29 114.58 119.08 1ggw h GLU 78 Ca 0.06 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 1ggw h GLU 78 Cb 0.29 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1ggw h GLU 78 CO 0.01 0.65 0.07 0.27 -0.73 0.00 0.00 179.01 179.29 1ggw h PHE 79 N 0.27 1.17 -0.65 0.92 -5.15 -1.28 -2.42 116.94 109.79 1ggw h PHE 79 Ca 0.08 -0.17 -0.06 0.00 -0.20 0.00 0.00 57.97 57.61 1ggw h PHE 79 Cb 0.44 -0.32 -0.03 0.00 0.22 0.00 0.00 35.95 36.27 1ggw h PHE 79 CO 0.04 1.00 0.16 0.28 -2.00 0.00 0.00 178.31 177.79 1ggw h VAL 80 N 1.01 1.26 -0.86 0.88 2.07 -1.29 -2.64 116.25 116.68 1ggw h VAL 80 Ca 0.19 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1ggw h VAL 80 Cb 0.48 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1ggw h VAL 80 CO 0.02 0.35 0.44 0.50 0.02 0.00 0.00 177.57 178.90 1ggw h LYS 81 N 0.97 1.22 -0.16 1.57 1.63 -1.04 -0.72 116.57 120.04 1ggw h LYS 81 Ca 0.21 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1ggw h LYS 81 Cb 0.35 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1ggw h LYS 81 CO 0.00 0.92 0.07 0.78 -3.45 0.00 0.00 179.45 177.76 1ggw h GLY 82 N 1.21 0.25 1.71 5.01 0.00 -1.23 -2.67 103.07 107.36 1ggw h GLY 82 Ca 0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 1ggw h GLY 82 CO -0.04 0.13 -0.20 0.74 0.00 0.00 0.00 176.54 177.16 1ggw h PHE 83 N 0.11 0.37 0.00 5.60 0.04 -1.34 -2.45 116.94 119.27 1ggw h PHE 83 Ca 0.05 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1ggw h PHE 83 Cb 0.16 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 1ggw h PHE 83 CO -0.02 0.53 -0.10 0.37 -0.60 0.00 0.00 178.31 178.49 1ggw h GLN 84 N 0.31 0.00 -6.83 1.51 4.15 -0.87 -3.40 115.11 109.98 1ggw h GLN 84 Ca 0.05 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.92 1ggw h GLN 84 Cb 0.54 0.00 0.10 0.00 0.21 0.00 0.00 27.48 28.33 1ggw h GLN 84 CO 0.04 0.10 0.72 0.28 -1.93 0.00 0.00 178.83 178.04 1ggw n VAL 85 N -4.28 1.70 -1.71 2.39 0.31 -0.93 -1.33 118.33 114.48 1ggw n VAL 85 Ca -0.03 -0.43 -0.15 0.00 -0.01 0.00 0.00 64.34 63.73 1ggw n VAL 85 Cb 0.18 -1.83 -0.05 0.00 -0.91 0.00 0.00 33.84 31.23 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 0.90 -0.56 -3.17 3.52 7.35 -1.26 -4.80 117.46 119.44 1ggw n PHE 86 Ca 0.05 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.53 1ggw n PHE 86 Cb 0.37 -2.89 -0.04 0.00 0.35 0.00 0.00 39.48 37.27 1ggw n PHE 86 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1ggw n ASP 87 N -1.04 1.29 0.12 -2.13 2.03 -0.44 -4.95 116.55 111.43 1ggw n ASP 87 Ca -0.16 -3.06 -0.11 0.00 0.52 0.00 0.00 54.79 51.98 1ggw n ASP 87 Cb 0.53 -0.62 -0.07 0.00 -0.72 0.00 0.00 41.12 40.25 1ggw n ASP 87 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ggw h LYS 88 N 3.21 -0.34 0.00 -0.67 1.63 -1.89 -3.42 116.57 115.08 1ggw h LYS 88 Ca 0.10 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1ggw h LYS 88 Cb 0.88 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1ggw h LYS 88 CO 0.55 0.00 -0.96 -3.47 -3.45 0.00 0.00 179.45 172.12 1ggw n ASP 89 N -5.04 1.91 0.00 4.20 2.03 -1.26 -4.98 116.55 113.42 1ggw n ASP 89 Ca -0.08 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1ggw n ASP 89 Cb 0.26 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1ggw n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ggw n ALA 90 N -4.39 0.00 -0.42 -1.67 0.00 -1.26 -4.86 120.51 107.92 1ggw n ALA 90 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ggw n ALA 90 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.00 -2.77 0.00 -1.04 -1.26 -3.41 114.28 105.80 1ggw n THR 91 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1ggw n THR 91 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.00 3.23 3.64 3.41 0.00 -1.26 -5.03 105.19 109.18 1ggw n GLY 92 Ca 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.08 0.26 -0.21 1.61 0.23 -1.22 -4.18 119.30 112.70 1ggw s MET 93 Ca 0.36 0.35 -0.02 0.00 -1.03 0.00 0.00 55.69 55.35 1ggw s MET 93 Cb 0.41 0.10 -0.13 0.00 -1.53 0.00 0.00 34.83 33.68 1ggw s MET 93 CO -0.05 -0.04 -0.22 1.51 -2.03 0.00 0.00 175.02 174.20 1ggw n ILE 94 N 2.51 1.21 -2.41 3.16 0.00 -1.26 -4.68 119.36 117.89 1ggw n ILE 94 Ca -0.14 -0.42 -0.04 0.00 0.00 0.00 0.00 62.75 62.15 1ggw n ILE 94 Cb 0.57 -1.40 0.01 0.00 0.00 0.00 0.00 39.64 38.81 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 2.24 -1.63 0.57 4.50 0.00 -0.99 -4.70 105.19 105.18 1ggw n GLY 95 Ca -0.39 0.73 0.42 0.00 0.00 0.00 0.00 46.02 46.77 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 1.51 0.18 -0.97 1.61 2.07 -1.05 0.12 116.25 119.71 1ggw h VAL 96 Ca 0.00 -0.02 0.22 0.00 0.82 0.00 0.00 66.70 67.73 1ggw h VAL 96 Cb 0.56 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.37 1ggw h VAL 96 CO 0.12 0.01 0.63 1.23 0.02 0.00 0.00 177.57 179.58 1ggw h GLY 97 N 0.05 1.10 1.18 2.17 0.00 -1.83 0.22 103.07 105.96 1ggw h GLY 97 Ca 0.78 -0.22 -0.32 0.00 0.00 0.00 0.00 47.33 47.58 1ggw h GLY 97 CO -0.15 -0.05 -1.38 1.05 0.00 0.00 0.00 176.54 176.01 1ggw h GLU 98 N 0.45 0.52 -0.47 4.80 -0.00 -1.04 -2.26 114.58 116.58 1ggw h GLU 98 Ca 0.53 -0.87 -0.08 0.00 -0.00 0.00 0.00 59.36 58.94 1ggw h GLU 98 Cb 1.26 0.32 -0.02 0.00 -0.00 0.00 0.00 28.75 30.31 1ggw h GLU 98 CO -0.24 1.42 -0.02 1.37 -0.00 0.00 0.00 179.01 181.53 1ggw h LEU 99 N 0.08 0.77 -0.02 3.06 8.10 -1.29 -2.54 115.31 123.47 1ggw h LEU 99 Ca -0.24 -0.19 -0.26 0.00 0.11 0.00 0.00 57.88 57.30 1ggw h LEU 99 Cb 2.08 -0.20 0.01 0.00 -0.44 0.00 0.00 40.66 42.11 1ggw h LEU 99 CO 0.26 0.85 -1.09 0.08 -4.11 0.00 0.00 178.44 174.43 1ggw h ARG 100 N 0.74 0.48 -0.66 0.17 -0.00 -0.72 -1.64 114.38 112.75 1ggw h ARG 100 Ca 0.14 -0.59 0.00 0.00 -0.00 0.00 0.00 59.98 59.54 1ggw h ARG 100 Cb 0.48 0.19 -0.03 0.00 -0.00 0.00 0.00 29.97 30.60 1ggw h ARG 100 CO 0.02 1.23 0.43 -0.92 -0.00 0.00 0.00 179.97 180.73 1ggw h TYR 101 N 0.23 0.83 0.06 4.08 3.20 -1.26 0.42 116.97 124.53 1ggw h TYR 101 Ca -0.12 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.62 1ggw h TYR 101 Cb 1.75 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.74 1ggw h TYR 101 CO 0.08 0.53 -0.69 0.28 -1.64 0.00 0.00 178.16 176.71 1ggw h VAL 102 N 0.89 1.44 -0.00 1.81 2.07 -1.49 -3.21 116.25 117.76 1ggw h VAL 102 Ca 0.24 -2.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 1ggw h VAL 102 Cb -0.09 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1ggw h VAL 102 CO -0.05 0.61 -0.00 -0.07 0.02 0.00 0.00 177.57 178.08 1ggw h LEU 103 N -0.69 0.01 -1.53 2.57 3.38 -1.20 -2.90 115.31 114.94 1ggw h LEU 103 Ca -0.15 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.30 1ggw h LEU 103 Cb 1.38 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1ggw h LEU 103 CO 0.02 0.52 0.24 0.74 0.09 0.00 0.00 178.44 180.06 1ggw h THR 104 N -0.51 1.12 0.00 0.22 2.02 -0.36 -1.13 112.91 114.28 1ggw h THR 104 Ca 0.00 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1ggw h THR 104 Cb 0.52 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1ggw h THR 104 CO 0.00 0.13 -0.02 -1.28 0.37 0.00 0.00 175.52 174.72 1ggw h SER 105 N 0.57 0.00 0.51 4.18 0.87 -1.57 -2.35 113.55 115.75 1ggw h SER 105 Ca 0.15 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1ggw h SER 105 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1ggw h SER 105 CO -0.03 0.02 -0.24 -0.07 -0.53 0.00 0.00 176.83 175.98 1ggw h LEU 106 N 0.00 -0.58 -5.00 2.23 3.38 -0.99 -3.44 115.31 110.91 1ggw h LEU 106 Ca -0.00 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1ggw h LEU 106 Cb 0.61 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.38 1ggw h LEU 106 CO 0.00 -0.33 -0.23 0.61 0.09 0.00 0.00 178.44 178.58 1ggw n GLY 107 N -0.65 0.52 3.43 0.83 0.00 -1.23 -4.99 105.19 103.11 1ggw n GLY 107 Ca -0.08 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.27 -7.01 0.00 1.61 -0.58 -0.88 -5.02 120.64 108.49 1ggw n GLU 108 Ca -0.06 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 1ggw n GLU 108 Cb 0.77 -5.76 0.00 0.00 -0.57 0.00 0.00 31.44 25.88 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ggw n LYS 109 N -4.41 2.65 -1.86 3.49 3.00 -1.23 -4.62 118.16 115.17 1ggw n LYS 109 Ca -0.15 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.90 1ggw n LYS 109 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.57 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 2.71 0.00 3.14 4.77 -1.26 -4.82 117.00 121.54 1ggw n LEU 110 Ca 0.00 -2.97 0.00 0.00 -0.03 0.00 0.00 56.01 53.01 1ggw n LEU 110 Cb 0.00 -1.67 0.00 0.00 -2.33 0.00 0.00 43.42 39.42 1ggw n LEU 110 CO 0.00 -2.15 0.00 -1.54 -1.33 0.00 0.00 177.39 172.37 1ggw n SER 111 N 15.09 -1.32 -0.10 -1.43 3.41 -1.26 -4.64 113.62 123.37 1ggw n SER 111 Ca 0.44 -0.19 0.22 0.00 -0.26 0.00 0.00 58.87 59.08 1ggw n SER 111 Cb 0.46 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.07 1ggw n SER 111 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1ggw h ASN 112 N -1.32 0.09 0.05 4.04 4.21 -1.97 -2.12 115.58 118.57 1ggw h ASN 112 Ca 0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 1ggw h ASN 112 Cb 0.00 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.18 1ggw h ASN 112 CO 0.00 0.04 -0.05 -0.08 -1.29 0.00 0.00 177.43 176.06 1ggw h GLU 113 N 0.10 -0.10 0.12 0.81 4.81 -1.97 0.48 114.58 118.82 1ggw h GLU 113 Ca 0.35 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1ggw h GLU 113 Cb 1.23 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1ggw h GLU 113 CO -0.04 -0.07 -0.22 1.49 -0.73 0.00 0.00 179.01 179.45 1ggw h GLU 114 N -0.10 -0.39 0.00 1.92 4.22 -1.66 -1.71 114.58 116.85 1ggw h GLU 114 Ca 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.43 1ggw h GLU 114 Cb 0.10 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ggw h GLU 114 CO -0.01 -0.26 -0.17 0.00 -2.18 0.00 0.00 179.01 176.38 1ggw h MET 115 N -0.41 0.00 -0.29 1.92 -0.00 -1.46 -2.56 114.93 112.14 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 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.00 1ggw h MET 115 CO -0.12 0.17 0.14 -0.44 -0.00 0.00 0.00 176.91 176.66 1ggw h ASP 116 N 0.00 0.20 -0.23 -0.10 3.32 0.90 0.62 116.42 121.12 1ggw h ASP 116 Ca -0.00 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.87 1ggw h ASP 116 Cb 0.46 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1ggw h ASP 116 CO 0.02 0.15 -0.61 1.05 -1.72 0.00 0.00 179.24 178.14 1ggw h GLU 117 N 0.29 0.81 -0.43 3.56 4.11 -1.30 -1.72 114.58 119.90 1ggw h GLU 117 Ca 0.12 -0.57 -0.05 0.00 0.07 0.00 0.00 59.36 58.93 1ggw h GLU 117 Cb 0.05 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1ggw h GLU 117 CO -0.09 1.19 0.07 1.37 0.07 0.00 0.00 179.01 181.63 1ggw h LEU 118 N 0.57 0.68 -0.86 3.06 8.10 -1.18 -2.64 115.31 123.03 1ggw h LEU 118 Ca -0.01 -0.26 -0.09 0.00 0.11 0.00 0.00 57.88 57.63 1ggw h LEU 118 Cb 1.22 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.25 1ggw h LEU 118 CO 0.13 0.76 -0.43 -0.07 -4.11 0.00 0.00 178.44 174.72 1ggw h LEU 119 N 0.56 0.00 -0.37 0.17 3.38 0.20 -2.25 115.31 117.00 1ggw h LEU 119 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1ggw h LEU 119 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1ggw h LEU 119 CO 0.01 0.43 -0.02 0.50 0.09 0.00 0.00 178.44 179.45 1ggw h LYS 120 N 0.00 0.67 -0.05 1.13 3.64 -1.08 -3.24 116.57 117.64 1ggw h LYS 120 Ca -0.00 -0.23 -0.24 0.00 -1.27 0.00 0.00 60.65 58.91 1ggw h LYS 120 Cb 0.96 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1ggw h LYS 120 CO 0.06 0.79 -0.92 0.78 -2.27 0.00 0.00 179.45 177.89 1ggw h GLY 121 N 0.48 0.79 -4.74 5.01 0.00 -1.44 -3.44 103.07 99.72 1ggw h GLY 121 Ca 0.10 -1.28 -0.55 0.00 0.00 0.00 0.00 47.33 45.60 1ggw h GLY 121 CO 0.02 1.14 0.20 0.14 0.00 0.00 0.00 176.54 178.04 1ggw s VAL 122 N -3.45 4.95 -1.29 4.60 1.01 -0.85 -4.96 120.40 120.40 1ggw s VAL 122 Ca -0.10 1.70 -0.10 0.00 0.00 0.00 0.00 61.98 63.48 1ggw s VAL 122 Cb 0.07 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 1ggw s VAL 122 CO 0.91 0.23 2.50 -0.81 0.00 0.00 0.00 175.10 177.93 1ggw n PRO 123 N 3.72 2.87 -4.36 2.72 -0.04 -1.26 -4.74 135.00 133.91 1ggw n PRO 123 Ca 0.01 -1.96 -0.18 0.00 -0.04 0.00 0.00 63.50 61.33 1ggw n PRO 123 Cb 0.51 -2.74 -0.10 0.00 -0.04 0.00 0.00 33.50 31.12 1ggw n PRO 123 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ggw s VAL 124 N 2.94 0.95 -0.40 0.52 0.11 -1.26 -5.09 120.40 118.17 1ggw s VAL 124 Ca 0.56 -2.01 0.10 0.00 -2.93 0.00 0.00 61.98 57.69 1ggw s VAL 124 Cb 0.15 -2.55 0.43 0.00 -1.53 0.00 0.00 36.38 32.87 1ggw s VAL 124 CO -0.04 -0.14 1.04 0.29 -3.33 0.00 0.00 175.10 172.91 1ggw n LYS 125 N -0.51 2.53 0.00 1.54 4.01 -1.26 -4.76 118.16 119.72 1ggw n LYS 125 Ca -0.03 -4.04 0.00 0.00 -0.51 0.00 0.00 58.31 53.74 1ggw n LYS 125 Cb 0.65 -1.87 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 1ggw n LYS 125 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1ggw n ASP 126 N -0.30 0.00 0.00 4.39 5.68 -1.26 -5.01 116.55 120.04 1ggw n ASP 126 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 1ggw n ASP 126 Cb 0.71 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ggw n GLY 127 N 0.00 1.44 3.48 6.12 0.00 -1.26 -2.78 105.19 112.19 1ggw n GLY 127 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.12 3.54 0.00 1.61 -2.45 -1.26 -1.38 119.30 119.24 1ggw s MET 128 Ca 0.00 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 53.87 1ggw s MET 128 Cb 0.00 -3.56 0.03 0.00 1.25 0.00 0.00 34.83 32.55 1ggw s MET 128 CO 0.00 -0.33 0.96 0.28 1.05 0.00 0.00 175.02 176.99 1ggw n VAL 129 N 5.00 0.00 -1.76 10.11 0.31 -1.26 -4.88 118.33 125.85 1ggw n VAL 129 Ca -0.14 -0.07 -0.18 0.00 -0.01 0.00 0.00 64.34 63.94 1ggw n VAL 129 Cb 0.50 0.49 -0.06 0.00 -0.91 0.00 0.00 33.84 33.86 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 0.03 -5.26 -0.61 4.52 2.85 -1.26 -4.59 115.26 110.94 1ggw n ASN 130 Ca 0.00 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 1ggw n ASN 130 Cb 0.71 -4.37 0.00 0.00 1.24 0.00 0.00 39.78 37.37 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 -2.90 -1.57 0.00 1.20 9.36 -1.26 -4.76 117.16 117.24 1ggw n TYR 131 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 1ggw n TYR 131 Cb 0.62 0.23 0.00 0.00 -0.63 0.00 0.00 39.34 39.56 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 -1.23 0.00 -0.33 2.98 -0.00 -1.26 -4.42 115.22 110.96 1ggw n HIS 132 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 1ggw n HIS 132 Cb 0.00 0.00 0.25 0.00 -0.12 0.00 0.00 29.99 30.12 1ggw n HIS 132 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1ggw h ASP 133 N 0.00 0.74 -0.00 0.26 5.19 -1.86 0.46 116.42 121.21 1ggw h ASP 133 Ca 0.00 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1ggw h ASP 133 Cb 0.00 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 1ggw h ASP 133 CO 0.00 0.34 -0.00 -0.26 -3.12 0.00 0.00 179.24 176.20 1ggw h PHE 134 N 0.79 0.00 0.00 4.55 0.04 -1.92 -2.49 116.94 117.91 1ggw h PHE 134 Ca 0.50 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.25 1ggw h PHE 134 Cb 0.64 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 1ggw h PHE 134 CO -0.04 0.41 -0.08 0.28 -0.60 0.00 0.00 178.31 178.29 1ggw h VAL 135 N -0.41 0.81 -0.19 -0.55 2.07 -1.71 -1.17 116.25 115.10 1ggw h VAL 135 Ca 0.00 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 1ggw h VAL 135 Cb 0.41 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1ggw h VAL 135 CO 0.00 0.08 -0.45 -0.61 0.02 0.00 0.00 177.57 176.61 1ggw h GLN 136 N 0.00 0.64 0.00 1.57 5.75 0.01 0.12 115.11 123.21 1ggw h GLN 136 Ca -0.00 -0.43 -0.08 0.00 -0.15 0.00 0.00 58.65 57.99 1ggw h GLN 136 Cb 0.16 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 1ggw h GLN 136 CO 0.01 1.05 -0.37 1.98 -2.65 0.00 0.00 178.83 178.85 1ggw h MET 137 N 0.32 0.00 0.00 1.69 4.05 -0.98 0.10 114.93 120.11 1ggw h MET 137 Ca -0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1ggw h MET 137 Cb 1.06 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.85 1ggw h MET 137 CO 0.10 0.37 -0.27 0.82 0.23 0.00 0.00 176.91 178.16 1ggw h ILE 138 N 0.00 0.54 0.00 1.77 2.04 -1.17 -3.42 117.51 117.27 1ggw h ILE 138 Ca -0.00 -1.47 -0.09 0.00 1.00 0.00 0.00 64.86 64.30 1ggw h ILE 138 Cb 0.98 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1ggw h ILE 138 CO 0.05 0.18 -0.55 -0.07 0.00 0.00 0.00 178.15 177.76 1ggw h LEU 139 N -1.00 0.00 -2.70 1.44 3.38 -0.86 -3.51 115.31 112.06 1ggw h LEU 139 Ca -0.04 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1ggw h LEU 139 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1ggw h LEU 139 CO -0.03 1.09 -0.46 0.00 0.09 0.00 0.00 178.44 179.14 1ggw n ALA 140 N -3.08 -3.21 -1.15 1.53 0.00 0.35 -5.04 120.51 109.90 1ggw n ALA 140 Ca -0.17 0.60 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1ggw n ALA 140 Cb 0.46 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1ggw n ALA 140 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77