#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggw h THR 3 N 0.00 0.00 0.00 2.46 2.02 -2.08 -3.46 112.91 111.86 1ggw h THR 3 Ca 0.00 -0.58 -0.15 0.00 0.77 0.00 0.00 66.41 66.46 1ggw h THR 3 Cb 0.00 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.29 1ggw h THR 3 CO 0.00 0.00 -0.07 -0.67 0.37 0.00 0.00 175.52 175.15 1ggw n ASP 4 N -4.40 -1.54 -4.47 4.18 2.03 -1.26 -5.09 116.55 106.00 1ggw n ASP 4 Ca -0.04 -2.26 -0.44 0.00 0.52 0.00 0.00 54.79 52.58 1ggw n ASP 4 Cb 0.12 1.23 -0.02 0.00 -0.72 0.00 0.00 41.12 41.73 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 -0.59 6.78 0.07 1.67 1.01 -1.26 -4.85 116.67 119.50 1ggw s ASP 5 Ca 0.16 -2.33 -0.20 0.00 0.71 0.00 0.00 52.55 50.89 1ggw s ASP 5 Cb 0.24 -2.43 -0.11 0.00 1.01 0.00 0.00 42.92 41.64 1ggw s ASP 5 CO -0.10 -1.01 1.48 -1.28 0.21 0.00 0.00 175.17 174.48 1ggw h SER 6 N 8.28 0.36 1.25 0.27 0.87 -1.97 0.27 113.55 122.88 1ggw h SER 6 Ca 0.24 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1ggw h SER 6 Cb 0.96 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1ggw h SER 6 CO 1.21 0.60 -0.09 -0.65 -0.53 0.00 0.00 176.83 177.37 1ggw h PRO 7 N 0.10 0.00 0.00 2.24 0.11 -1.95 0.40 132.00 132.89 1ggw h PRO 7 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1ggw h PRO 7 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1ggw h PRO 7 CO 0.01 0.09 -0.40 0.66 -0.21 0.00 0.00 178.00 178.15 1ggw n TYR 8 N -3.18 0.00 0.17 0.65 4.01 -1.20 -4.44 117.16 113.18 1ggw n TYR 8 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 1ggw n TYR 8 Cb 0.41 -0.20 -0.04 0.00 -0.31 0.00 0.00 39.34 39.21 1ggw n TYR 8 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ggw h LYS 9 N -0.40 -0.48 -0.29 -0.72 3.11 -0.84 -1.34 116.57 115.62 1ggw h LYS 9 Ca 0.00 0.03 0.04 0.00 -2.81 0.00 0.00 60.65 57.91 1ggw h LYS 9 Cb 0.40 0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.70 1ggw h LYS 9 CO 0.00 -0.32 0.06 0.37 -2.81 0.00 0.00 179.45 176.75 1ggw h GLN 10 N -0.93 0.16 -0.97 1.90 4.15 -0.71 -1.52 115.11 117.19 1ggw h GLN 10 Ca -0.05 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.38 1ggw h GLN 10 Cb 0.38 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.99 1ggw h GLN 10 CO 0.08 0.10 0.64 0.00 -1.93 0.00 0.00 178.83 177.73 1ggw h ALA 11 N 1.21 1.24 -0.52 3.38 0.00 -0.33 -2.16 119.26 122.08 1ggw h ALA 11 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ggw h ALA 11 Cb 0.14 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1ggw h ALA 11 CO -0.17 0.59 0.34 0.35 0.00 0.00 0.00 179.25 180.36 1ggw h PHE 12 N 1.29 0.65 -0.11 0.00 3.04 -0.62 -2.24 116.94 118.96 1ggw h PHE 12 Ca 0.36 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.30 1ggw h PHE 12 Cb -0.11 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.17 1ggw h PHE 12 CO -0.00 0.42 -0.05 1.03 -2.02 0.00 0.00 178.31 177.68 1ggw h SER 13 N 0.70 0.15 -0.98 0.41 0.87 -0.77 -2.74 113.55 111.18 1ggw h SER 13 Ca 0.19 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.80 1ggw h SER 13 Cb -0.07 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 61.78 1ggw h SER 13 CO -0.04 0.23 0.63 -0.07 -0.53 0.00 0.00 176.83 177.04 1ggw h LEU 14 N 0.16 0.99 -3.80 2.23 3.38 -0.79 -2.08 115.31 115.41 1ggw h LEU 14 Ca 0.04 0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.53 1ggw h LEU 14 Cb 0.20 -0.20 -0.27 0.00 0.09 0.00 0.00 40.66 40.49 1ggw h LEU 14 CO 0.01 0.62 0.63 0.49 0.09 0.00 0.00 178.44 180.28 1ggw n PHE 15 N -4.54 2.76 -1.80 1.13 3.72 -1.04 -4.99 117.46 112.71 1ggw n PHE 15 Ca 0.15 -1.95 -0.42 0.00 -0.05 0.00 0.00 57.45 55.18 1ggw n PHE 15 Cb 0.20 -0.98 -0.03 0.00 -0.94 0.00 0.00 39.48 37.73 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 -1.12 6.45 0.00 4.37 -4.77 -0.78 -4.82 116.67 116.00 1ggw s ASP 16 Ca 0.52 2.78 -0.24 0.00 -3.30 0.00 0.00 52.55 52.31 1ggw s ASP 16 Cb 0.43 -2.60 -0.15 0.00 -1.09 0.00 0.00 42.92 39.51 1ggw s ASP 16 CO 0.07 -0.92 1.12 -0.09 0.70 0.00 0.00 175.17 176.05 1ggw h ARG 17 N 6.80 -0.55 0.00 2.11 1.12 -1.91 -3.39 114.38 118.56 1ggw h ARG 17 Ca -0.43 0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 58.39 1ggw h ARG 17 Cb 1.20 0.12 -0.19 0.00 -0.01 0.00 0.00 29.97 31.10 1ggw h ARG 17 CO 0.94 -0.24 -0.73 0.72 -3.11 0.00 0.00 179.97 177.55 1ggw n HIS 18 N -5.20 0.00 -2.08 2.20 8.25 -1.26 -4.98 115.22 112.15 1ggw n HIS 18 Ca -0.10 -0.49 -0.15 0.00 -0.26 0.00 0.00 57.72 56.73 1ggw n HIS 18 Cb 0.29 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 0.01 0.18 0.08 -1.41 0.00 -1.26 -4.90 105.19 97.89 1ggw n GLY 19 Ca 0.06 -0.28 -0.02 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 -3.67 1.07 0.00 2.61 -2.24 -1.26 -4.99 114.28 105.80 1ggw n THR 20 Ca -0.17 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1ggw n THR 20 Cb 0.60 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 1.52 1.53 3.29 3.38 0.00 -1.26 -5.12 105.19 108.53 1ggw n GLY 21 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.06 1.18 -0.06 1.61 0.52 -1.26 -3.45 118.95 117.44 1ggw s ARG 22 Ca 0.00 -1.52 -0.04 0.00 -0.52 0.00 0.00 55.73 53.64 1ggw s ARG 22 Cb 0.00 -0.81 0.02 0.00 0.52 0.00 0.00 34.95 34.68 1ggw s ARG 22 CO 0.00 0.10 0.14 0.96 0.02 0.00 0.00 175.30 176.52 1ggw s ILE 23 N -3.20 -0.01 0.69 1.52 -4.36 -1.03 -3.31 121.20 111.49 1ggw s ILE 23 Ca 0.20 0.04 -0.05 0.00 -0.26 0.00 0.00 60.65 60.58 1ggw s ILE 23 Cb 0.02 -0.21 0.06 0.00 1.25 0.00 0.00 42.46 43.58 1ggw s ILE 23 CO 0.04 0.02 0.99 -2.16 0.24 0.00 0.00 174.94 174.06 1ggw s PRO 24 N 0.33 2.17 0.44 0.37 0.04 -1.26 -2.50 135.00 134.60 1ggw s PRO 24 Ca -0.02 -0.38 0.29 0.00 0.04 0.00 0.00 61.00 60.93 1ggw s PRO 24 Cb -0.03 -2.21 1.38 0.00 0.04 0.00 0.00 34.50 33.67 1ggw s PRO 24 CO -0.01 -1.21 1.66 1.57 0.04 0.00 0.00 177.00 179.05 1ggw h LYS 25 N -0.53 0.14 -0.36 4.56 2.10 -1.93 0.14 116.57 120.68 1ggw h LYS 25 Ca -0.44 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.20 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 0.57 0.09 0.20 1.79 -2.00 0.00 0.00 179.45 180.11 1ggw h THR 26 N 0.14 1.13 -0.02 0.07 1.35 -1.96 -2.55 112.91 111.07 1ggw h THR 26 Ca 0.76 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 66.28 1ggw h THR 26 Cb 2.40 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1ggw h THR 26 CO -0.35 0.14 -0.02 -1.28 -0.25 0.00 0.00 175.52 173.76 1ggw h SER 27 N 0.46 0.05 -0.94 5.36 0.87 -1.10 -3.20 113.55 115.04 1ggw h SER 27 Ca 0.13 -0.52 0.22 0.00 -1.23 0.00 0.00 61.79 60.39 1ggw h SER 27 Cb 0.04 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 61.92 1ggw h SER 27 CO -0.02 0.56 0.62 0.40 -0.53 0.00 0.00 176.83 177.86 1ggw h ILE 28 N -0.45 0.63 0.11 2.23 1.08 -1.39 0.53 117.51 120.25 1ggw h ILE 28 Ca 0.00 -0.13 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1ggw h ILE 28 Cb 0.55 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1ggw h ILE 28 CO 0.01 0.07 -0.12 1.23 -0.69 0.00 0.00 178.15 178.65 1ggw h GLY 29 N 0.38 -0.85 2.00 5.37 0.00 -1.45 0.39 103.07 108.92 1ggw h GLY 29 Ca 0.50 0.38 -0.04 0.00 0.00 0.00 0.00 47.33 48.17 1ggw h GLY 29 CO -0.19 -0.30 -0.17 1.29 0.00 0.00 0.00 176.54 177.17 1ggw h ASP 30 N -0.23 0.00 -0.12 0.19 3.04 -1.60 -2.80 116.42 114.90 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 0.20 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.49 1ggw h ASP 30 CO -0.02 0.17 0.06 0.25 -2.04 0.00 0.00 179.24 177.67 1ggw h LEU 31 N 0.00 0.16 -1.61 0.15 5.85 -0.65 -2.45 115.31 116.75 1ggw h LEU 31 Ca -0.00 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1ggw h LEU 31 Cb 0.34 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1ggw h LEU 31 CO 0.02 0.22 0.03 -0.07 -0.34 0.00 0.00 178.44 178.30 1ggw h LEU 32 N 0.09 0.24 -0.98 2.25 3.38 -0.67 -2.39 115.31 117.23 1ggw h LEU 32 Ca 0.04 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1ggw h LEU 32 Cb 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1ggw h LEU 32 CO -0.01 0.27 0.62 -0.09 0.09 0.00 0.00 178.44 179.33 1ggw h ARG 33 N 0.27 1.01 -0.03 1.13 2.43 -0.87 -0.47 114.38 117.85 1ggw h ARG 33 Ca 0.07 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1ggw h ARG 33 Cb 0.15 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1ggw h ARG 33 CO -0.00 0.67 -0.34 0.00 -1.51 0.00 0.00 179.97 178.78 1ggw h ALA 34 N 1.50 1.38 -0.91 2.80 0.00 -1.34 -2.90 119.26 119.80 1ggw h ALA 34 Ca 0.47 -0.32 -0.63 0.00 0.00 0.00 0.00 54.91 54.42 1ggw h ALA 34 Cb 0.37 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 17.75 1ggw h ALA 34 CO -0.23 0.45 0.27 0.00 0.00 0.00 0.00 179.25 179.75 1ggw n GLY 36 N -0.84 0.93 3.37 0.00 0.00 -0.82 -4.99 105.19 102.84 1ggw n GLY 36 Ca 0.56 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1ggw n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ggw s GLN 37 N 0.00 1.54 -0.22 1.61 0.74 -1.16 -4.73 119.66 117.45 1ggw s GLN 37 Ca 0.00 -1.86 0.02 0.00 0.05 0.00 0.00 55.36 53.57 1ggw s GLN 37 Cb 0.00 -0.44 0.04 0.00 1.10 0.00 0.00 33.01 33.71 1ggw s GLN 37 CO 0.00 -0.30 -0.14 1.21 -0.55 0.00 0.00 175.29 175.51 1ggw s ASN 38 N -3.39 3.86 0.19 6.67 3.04 -1.26 -1.86 114.94 122.19 1ggw s ASN 38 Ca 0.36 -1.02 0.00 0.00 0.04 0.00 0.00 52.86 52.24 1ggw s ASN 38 Cb 0.07 -1.53 0.00 0.00 -1.54 0.00 0.00 41.25 38.25 1ggw s ASN 38 CO 0.15 -0.10 0.00 -0.81 -3.04 0.00 0.00 177.10 173.30 1ggw n PRO 39 N 4.54 0.97 -2.93 0.43 -0.04 -1.26 -4.99 135.00 131.71 1ggw n PRO 39 Ca -0.17 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.07 1ggw n PRO 39 Cb 0.46 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.01 3.46 0.41 0.52 -4.23 -1.26 -4.98 115.64 109.56 1ggw s THR 40 Ca 0.00 -0.66 0.12 0.00 -1.18 0.00 0.00 61.69 59.96 1ggw s THR 40 Cb 0.00 -3.26 0.32 0.00 1.34 0.00 0.00 72.50 70.90 1ggw s THR 40 CO 0.00 -0.17 1.97 -0.07 -0.54 0.00 0.00 174.62 175.81 1ggw h LEU 41 N 0.37 0.45 -1.36 4.79 -0.00 -1.99 -0.20 115.31 117.37 1ggw h LEU 41 Ca -0.44 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 57.48 1ggw h LEU 41 Cb 1.27 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.81 1ggw h LEU 41 CO 0.54 0.28 0.45 0.00 -0.00 0.00 0.00 178.44 179.70 1ggw h ALA 42 N 1.67 1.60 0.36 1.53 0.00 -1.98 0.39 119.26 122.83 1ggw h ALA 42 Ca 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ggw h ALA 42 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ggw h ALA 42 CO -0.09 0.34 -0.17 1.49 0.00 0.00 0.00 179.25 180.81 1ggw h GLU 43 N 0.84 -0.47 -0.16 0.00 4.22 -1.41 -0.97 114.58 116.63 1ggw h GLU 43 Ca 0.27 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.76 1ggw h GLU 43 Cb 0.03 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1ggw h GLU 43 CO -0.07 -0.16 0.02 -0.84 -2.18 0.00 0.00 179.01 175.78 1ggw h ILE 44 N -0.80 0.92 -0.84 2.32 -2.65 -1.31 -1.72 117.51 113.43 1ggw h ILE 44 Ca -0.05 -0.03 0.09 0.00 1.03 0.00 0.00 64.86 65.90 1ggw h ILE 44 Cb 0.52 0.83 -0.07 0.00 -2.05 0.00 0.00 36.82 36.05 1ggw h ILE 44 CO 0.08 0.02 0.49 0.74 0.03 0.00 0.00 178.15 179.51 1ggw h THR 45 N 0.09 0.94 -0.73 0.16 2.02 -0.97 -1.24 112.91 113.17 1ggw h THR 45 Ca 0.07 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1ggw h THR 45 Cb 0.07 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.46 1ggw h THR 45 CO -0.10 0.15 0.47 -0.33 0.37 0.00 0.00 175.52 176.08 1ggw h GLU 46 N 0.84 0.91 -0.73 6.66 5.08 -0.55 -1.84 114.58 124.96 1ggw h GLU 46 Ca 0.40 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1ggw h GLU 46 Cb 0.32 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1ggw h GLU 46 CO -0.23 0.60 0.40 0.82 -1.00 0.00 0.00 179.01 179.60 1ggw h ILE 47 N 0.94 1.22 -0.74 3.13 2.04 -0.39 -1.87 117.51 121.84 1ggw h ILE 47 Ca 0.28 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.67 1ggw h ILE 47 Cb -0.04 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.26 1ggw h ILE 47 CO -0.09 0.25 0.49 -0.33 0.00 0.00 0.00 178.15 178.47 1ggw h GLU 48 N 1.00 0.67 0.00 2.37 5.08 -0.51 0.69 114.58 123.89 1ggw h GLU 48 Ca 0.26 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1ggw h GLU 48 Cb 0.04 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1ggw h GLU 48 CO -0.04 0.44 0.00 0.45 -1.00 0.00 0.00 179.01 178.86 1ggw n SER 49 N -4.49 0.00 -0.01 1.42 2.88 -0.70 -2.97 113.62 109.74 1ggw n SER 49 Ca 0.12 -0.15 -0.02 0.00 -1.33 0.00 0.00 58.87 57.49 1ggw n SER 49 Cb 0.30 -0.09 -0.01 0.00 -0.75 0.00 0.00 64.21 63.66 1ggw n SER 49 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ggw n THR 50 N -1.09 0.14 -4.02 2.46 -1.04 0.17 -5.06 114.28 105.84 1ggw n THR 50 Ca 0.06 -0.05 -0.25 0.00 -2.04 0.00 0.00 64.05 61.77 1ggw n THR 50 Cb 0.04 -0.62 -0.04 0.00 -1.82 0.00 0.00 70.33 67.90 1ggw n THR 50 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ggw s LEU 51 N -5.18 4.07 0.31 -4.42 1.43 -0.77 -5.06 118.68 109.06 1ggw s LEU 51 Ca -0.03 -0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 1ggw s LEU 51 Cb 0.01 -2.64 -0.16 0.00 0.03 0.00 0.00 46.19 43.43 1ggw s LEU 51 CO 0.06 0.03 0.31 -2.65 0.23 0.00 0.00 176.35 174.33 1ggw n PRO 52 N -0.69 0.05 -0.01 1.29 -0.02 -1.26 -4.68 135.00 129.67 1ggw n PRO 52 Ca -0.08 0.02 -0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1ggw n PRO 52 Cb 0.55 -1.04 -0.00 0.00 -0.02 0.00 0.00 33.50 32.99 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 -0.55 -0.02 -2.72 3.55 0.00 -1.26 -3.95 120.51 115.57 1ggw n ALA 53 Ca 0.14 0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 1ggw n ALA 53 Cb 0.33 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 1ggw n ALA 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ggw s GLU 54 N -3.45 4.33 -1.00 0.00 2.12 -1.26 -4.94 118.70 114.50 1ggw s GLU 54 Ca -0.00 0.46 -0.19 0.00 0.36 0.00 0.00 54.97 55.59 1ggw s GLU 54 Cb 0.00 -3.45 0.11 0.00 0.26 0.00 0.00 34.13 31.06 1ggw s GLU 54 CO 0.02 0.12 1.27 0.08 -0.54 0.00 0.00 175.26 176.21 1ggw s VAL 55 N 0.74 4.54 0.85 3.70 1.01 -1.04 -4.84 120.40 125.36 1ggw s VAL 55 Ca 0.26 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 1ggw s VAL 55 Cb -0.15 -4.88 0.18 0.00 0.00 0.00 0.00 36.38 31.53 1ggw s VAL 55 CO 0.10 -1.65 1.16 -0.90 0.00 0.00 0.00 175.10 173.81 1ggw n ASP 56 N 7.11 0.82 -0.33 3.32 5.68 -1.26 -2.48 116.55 129.40 1ggw n ASP 56 Ca 0.29 -1.86 0.12 0.00 -0.50 0.00 0.00 54.79 52.84 1ggw n ASP 56 Cb 0.49 -0.82 0.26 0.00 -1.14 0.00 0.00 41.12 39.91 1ggw n ASP 56 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1ggw h MET 57 N 0.00 0.03 0.25 0.11 2.86 -1.95 0.11 114.93 116.34 1ggw h MET 57 Ca -0.38 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1ggw h MET 57 Cb 1.22 -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 -0.12 1.49 1.06 0.00 0.00 176.91 179.69 1ggw h GLU 58 N 0.03 -0.32 0.12 1.72 4.22 -1.92 -1.05 114.58 117.38 1ggw h GLU 58 Ca 0.56 0.02 0.01 0.00 0.08 0.00 0.00 59.36 60.03 1ggw h GLU 58 Cb 1.11 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1ggw h GLU 58 CO -0.89 -0.03 -0.17 1.96 -2.18 0.00 0.00 179.01 177.70 1ggw h GLN 59 N -0.62 -0.34 -0.07 1.92 7.50 -1.51 0.22 115.11 122.21 1ggw h GLN 59 Ca -0.03 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1ggw h GLN 59 Cb 0.44 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.05 1ggw h GLN 59 CO 0.06 -0.23 0.05 0.35 -1.50 0.00 0.00 178.83 177.56 1ggw h PHE 60 N -0.35 0.09 0.00 2.96 3.57 -0.92 -1.97 116.94 120.32 1ggw h PHE 60 Ca 0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1ggw h PHE 60 Cb 0.36 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1ggw h PHE 60 CO -0.17 0.07 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.83 1ggw h LEU 61 N 0.09 0.00 -0.46 0.59 3.38 -1.04 0.28 115.31 118.16 1ggw h LEU 61 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1ggw h LEU 61 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ggw h LEU 61 CO -0.01 0.08 0.06 1.56 0.09 0.00 0.00 178.44 180.23 1ggw h GLN 62 N 0.00 0.76 0.23 1.13 1.08 0.18 0.36 115.11 118.86 1ggw h GLN 62 Ca -0.00 -0.21 -0.33 0.00 -1.45 0.00 0.00 58.65 56.66 1ggw h GLN 62 Cb 0.17 -0.09 0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1ggw h GLN 62 CO 0.01 0.79 -1.44 -0.39 -0.95 0.00 0.00 178.83 176.85 1ggw h VAL 63 N 0.62 1.32 -0.27 -0.54 -1.51 -1.08 -0.87 116.25 113.92 1ggw h VAL 63 Ca 0.14 -2.77 -0.13 0.00 -1.23 0.00 0.00 66.70 62.70 1ggw h VAL 63 Cb 0.41 3.02 -0.01 0.00 -2.13 0.00 0.00 31.29 32.58 1ggw h VAL 63 CO 0.01 0.83 -0.37 0.25 -1.23 0.00 0.00 177.57 177.06 1ggw h LEU 64 N 0.13 0.64 -3.60 4.19 5.85 -0.94 -3.21 115.31 118.37 1ggw h LEU 64 Ca -0.23 -0.27 -0.43 0.00 0.84 0.00 0.00 57.88 57.78 1ggw h LEU 64 Cb 2.13 -0.18 -0.32 0.00 0.37 0.00 0.00 40.66 42.67 1ggw h LEU 64 CO 0.26 0.95 -0.58 0.59 -0.34 0.00 0.00 178.44 179.31 1ggw n ASN 65 N -4.05 4.36 0.17 1.25 3.02 0.13 -4.66 115.26 115.47 1ggw n ASN 65 Ca -0.01 -3.79 -0.14 0.00 -0.03 0.00 0.00 54.58 50.61 1ggw n ASN 65 Cb 0.50 -0.44 -0.08 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.86 -0.34 -0.85 3.52 2.43 -1.15 -2.75 114.38 117.10 1ggw h ARG 66 Ca 0.31 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1ggw h ARG 66 Cb 1.40 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 1ggw h ARG 66 CO 0.65 -0.22 0.00 -0.35 -1.51 0.00 0.00 179.97 178.54 1ggw n PRO 67 N -5.24 1.98 -3.02 0.20 -0.04 -1.26 -4.94 135.00 122.69 1ggw n PRO 67 Ca -0.10 -0.81 -0.16 0.00 -0.04 0.00 0.00 63.50 62.39 1ggw n PRO 67 Cb 0.16 -1.67 0.02 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.16 -7.32 0.00 3.54 5.15 -1.04 -4.95 115.26 110.80 1ggw n ASN 68 Ca 0.07 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 1ggw n ASN 68 Cb 0.48 -4.40 0.00 0.00 -0.53 0.00 0.00 39.78 35.32 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ggw n GLY 69 N -0.24 0.84 3.66 8.20 0.00 -1.26 -5.13 105.19 111.25 1ggw n GLY 69 Ca 0.06 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.10 2.55 -0.86 1.61 0.08 -1.26 -4.68 117.98 113.32 1ggw s PHE 70 Ca 0.00 -0.58 -0.03 0.00 0.12 0.00 0.00 56.93 56.43 1ggw s PHE 70 Cb 0.00 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.67 1ggw s PHE 70 CO 0.00 0.36 0.75 -0.25 -0.10 0.00 0.00 175.22 175.99 1ggw n ASP 71 N -1.06 -7.02 0.00 1.36 8.00 -1.26 -4.78 116.55 111.79 1ggw n ASP 71 Ca -0.03 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1ggw n ASP 71 Cb 0.65 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.97 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 -2.43 0.00 -0.30 -1.24 1.56 -1.26 -4.99 117.12 108.46 1ggw n MET 72 Ca -0.06 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.33 1ggw n MET 72 Cb 0.56 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.93 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 -0.09 -0.49 2.12 0.11 -1.84 -3.34 132.00 128.47 1ggw h PRO 73 Ca 0.00 0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.83 1ggw h PRO 73 Cb 0.00 0.02 -0.25 0.00 0.11 0.00 0.00 31.00 30.88 1ggw h PRO 73 CO 0.00 -0.06 -0.70 0.41 -0.21 0.00 0.00 178.00 177.44 1ggw n GLY 74 N -1.43 1.49 3.80 -0.55 0.00 -1.26 -4.99 105.19 102.26 1ggw n GLY 74 Ca 0.06 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.91 7.15 0.17 1.61 1.11 -1.25 -4.99 116.67 118.56 1ggw s ASP 75 Ca 0.25 1.71 -0.14 0.00 0.18 0.00 0.00 52.55 54.55 1ggw s ASP 75 Cb 0.40 -2.53 0.07 0.00 1.07 0.00 0.00 42.92 41.92 1ggw s ASP 75 CO -0.04 -0.15 1.84 -0.65 1.18 0.00 0.00 175.17 177.35 1ggw h PRO 76 N 2.78 0.70 0.00 8.23 0.11 -2.00 -2.10 132.00 139.71 1ggw h PRO 76 Ca -0.48 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1ggw h PRO 76 Cb 1.19 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1ggw h PRO 76 CO 0.64 0.46 -0.22 1.49 -0.21 0.00 0.00 178.00 180.16 1ggw h GLU 77 N 0.72 0.00 -0.09 1.05 4.57 -1.99 -2.05 114.58 116.79 1ggw h GLU 77 Ca 0.20 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1ggw h GLU 77 Cb -0.08 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1ggw h GLU 77 CO -0.05 0.22 -0.04 1.49 -1.18 0.00 0.00 179.01 179.46 1ggw h GLU 78 N 0.00 0.18 -0.35 1.92 4.22 -1.77 -1.46 114.58 117.32 1ggw h GLU 78 Ca -0.00 -0.08 -0.14 0.00 0.08 0.00 0.00 59.36 59.23 1ggw h GLU 78 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ggw h GLU 78 CO 0.03 0.53 -0.33 0.27 -2.18 0.00 0.00 179.01 177.33 1ggw h PHE 79 N -0.18 0.91 -0.02 0.92 -5.15 -1.37 -2.37 116.94 109.67 1ggw h PHE 79 Ca 0.02 -0.25 -0.00 0.00 -0.20 0.00 0.00 57.97 57.54 1ggw h PHE 79 Cb 0.48 -0.20 -0.00 0.00 0.22 0.00 0.00 35.95 36.45 1ggw h PHE 79 CO 0.06 1.00 0.01 0.28 -2.00 0.00 0.00 178.31 177.66 1ggw h VAL 80 N 0.65 1.14 -0.11 0.88 2.07 -1.38 -2.70 116.25 116.79 1ggw h VAL 80 Ca 0.07 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1ggw h VAL 80 Cb 0.87 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1ggw h VAL 80 CO 0.08 0.11 -0.12 0.50 0.02 0.00 0.00 177.57 178.16 1ggw h LYS 81 N -0.14 0.17 0.12 1.57 1.63 -1.27 0.17 116.57 118.83 1ggw h LYS 81 Ca 0.01 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1ggw h LYS 81 Cb 0.17 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1ggw h LYS 81 CO -0.00 0.30 -0.06 0.78 -3.45 0.00 0.00 179.45 177.02 1ggw h GLY 82 N 0.63 -0.17 1.51 5.01 0.00 -1.22 -3.26 103.07 105.57 1ggw h GLY 82 Ca 0.04 0.06 -0.24 0.00 0.00 0.00 0.00 47.33 47.19 1ggw h GLY 82 CO 0.02 -0.06 -1.01 0.74 0.00 0.00 0.00 176.54 176.22 1ggw h PHE 83 N -0.42 0.65 -0.28 5.60 0.04 -1.42 -3.38 116.94 117.74 1ggw h PHE 83 Ca -0.02 -0.38 -0.68 0.00 2.80 0.00 0.00 57.97 59.70 1ggw h PHE 83 Cb 0.34 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 1ggw h PHE 83 CO 0.01 1.21 2.69 0.94 -0.60 0.00 0.00 178.31 182.56 1ggw n GLN 84 N -3.73 2.78 0.09 1.51 7.27 0.60 -4.23 117.38 121.66 1ggw n GLN 84 Ca -0.08 -2.73 0.00 0.00 0.07 0.00 0.00 57.00 54.26 1ggw n GLN 84 Cb 0.87 -3.34 0.00 0.00 2.41 0.00 0.00 30.24 30.19 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 5.69 0.52 -1.95 1.69 0.31 -1.26 -4.76 118.33 118.58 1ggw n VAL 85 Ca 0.51 0.17 -0.29 0.00 -0.01 0.00 0.00 64.34 64.71 1ggw n VAL 85 Cb 0.42 -0.95 0.03 0.00 -0.91 0.00 0.00 33.84 32.42 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 -3.38 3.05 -3.48 3.52 7.35 -1.26 -4.82 117.46 118.44 1ggw n PHE 86 Ca 0.00 -2.63 -0.27 0.00 -0.76 0.00 0.00 57.45 53.79 1ggw n PHE 86 Cb 0.00 -0.66 -0.09 0.00 0.35 0.00 0.00 39.48 39.07 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 -0.68 1.44 0.11 -2.13 9.92 -1.26 -4.90 116.55 119.04 1ggw n ASP 87 Ca 0.49 -2.88 -0.13 0.00 -0.53 0.00 0.00 54.79 51.73 1ggw n ASP 87 Cb 0.73 -0.65 -0.08 0.00 -0.64 0.00 0.00 41.12 40.48 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 4.88 -0.20 0.00 -1.24 1.63 -1.98 -3.38 116.57 116.28 1ggw h LYS 88 Ca 0.18 0.01 -0.40 0.00 -0.85 0.00 0.00 60.65 59.59 1ggw h LYS 88 Cb 0.81 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.43 1ggw h LYS 88 CO 0.58 -0.07 -2.32 -3.47 -3.45 0.00 0.00 179.45 170.71 1ggw n ASP 89 N -5.15 1.67 -3.44 4.20 -0.08 -1.26 -5.04 116.55 107.44 1ggw n ASP 89 Ca -0.09 0.28 -0.18 0.00 -1.51 0.00 0.00 54.79 53.30 1ggw n ASP 89 Cb 0.14 -0.69 0.07 0.00 2.34 0.00 0.00 41.12 42.97 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 -4.05 -2.21 -0.03 -1.67 0.00 -1.26 -4.95 120.51 106.34 1ggw n ALA 90 Ca -0.47 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 52.80 1ggw n ALA 90 Cb 0.83 -3.56 -0.11 0.00 0.00 0.00 0.00 19.45 16.62 1ggw n ALA 90 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ggw h THR 91 N -1.63 1.53 0.00 0.00 1.35 -1.97 -3.44 112.91 108.75 1ggw h THR 91 Ca -0.61 -1.81 -0.14 0.00 -0.55 0.00 0.00 66.41 63.30 1ggw h THR 91 Cb 1.34 2.66 -0.12 0.00 -1.73 0.00 0.00 68.15 70.30 1ggw h THR 91 CO 0.49 0.49 -0.07 0.61 -0.25 0.00 0.00 175.52 176.79 1ggw n GLY 92 N 0.91 -0.74 3.58 5.82 0.00 -1.26 -5.16 105.19 108.34 1ggw n GLY 92 Ca -0.09 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 0.11 0.66 0.02 1.61 0.23 -1.26 -4.33 119.30 116.34 1ggw s MET 93 Ca 0.19 0.27 0.06 0.00 -1.03 0.00 0.00 55.69 55.18 1ggw s MET 93 Cb 0.28 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.87 1ggw s MET 93 CO -0.14 -0.18 -0.19 -1.50 -2.03 0.00 0.00 175.02 170.98 1ggw s ILE 94 N -0.85 1.50 -0.94 3.16 -1.16 -1.26 -4.84 121.20 116.82 1ggw s ILE 94 Ca -0.02 -1.02 -0.05 0.00 -0.51 0.00 0.00 60.65 59.05 1ggw s ILE 94 Cb -0.01 -1.30 0.23 0.00 0.61 0.00 0.00 42.46 42.00 1ggw s ILE 94 CO 0.02 0.24 0.85 -0.83 -2.81 0.00 0.00 174.94 172.41 1ggw s GLY 95 N -0.92 3.07 0.38 1.50 0.00 -1.26 -3.26 107.32 106.84 1ggw s GLY 95 Ca 0.06 -3.78 0.21 0.00 0.00 0.00 0.00 44.72 41.22 1ggw s GLY 95 CO 0.01 1.23 1.64 -2.08 0.00 0.00 0.00 173.10 173.90 1ggw h VAL 96 N 4.07 0.20 -0.50 1.40 2.07 0.13 0.27 116.25 123.89 1ggw h VAL 96 Ca 0.15 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1ggw h VAL 96 Cb 0.85 -0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1ggw h VAL 96 CO 0.89 0.03 0.03 1.23 0.02 0.00 0.00 177.57 179.77 1ggw h GLY 97 N 0.19 0.54 1.15 2.17 0.00 -1.78 0.88 103.07 106.22 1ggw h GLY 97 Ca 0.77 0.04 -0.27 0.00 0.00 0.00 0.00 47.33 47.87 1ggw h GLY 97 CO -0.55 -0.12 -1.09 0.83 0.00 0.00 0.00 176.54 175.61 1ggw h GLU 98 N 0.15 0.62 -0.95 4.80 4.39 -0.89 -2.79 114.58 119.91 1ggw h GLU 98 Ca 0.25 -0.76 0.02 0.00 0.34 0.00 0.00 59.36 59.22 1ggw h GLU 98 Cb 0.37 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 1ggw h GLU 98 CO -0.39 1.33 0.63 1.37 -1.16 0.00 0.00 179.01 180.79 1ggw h LEU 99 N 0.25 1.06 -0.04 1.33 8.10 -0.39 -2.19 115.31 123.42 1ggw h LEU 99 Ca -0.15 -0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.81 1ggw h LEU 99 Cb 1.76 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 41.73 1ggw h LEU 99 CO 0.21 0.74 -0.00 -0.09 -4.11 0.00 0.00 178.44 175.19 1ggw h ARG 100 N 1.24 0.07 -0.96 0.17 1.12 0.71 -1.87 114.38 114.86 1ggw h ARG 100 Ca 0.37 -0.02 0.18 0.00 -1.11 0.00 0.00 59.98 59.40 1ggw h ARG 100 Cb -0.06 -0.01 -0.09 0.00 -0.01 0.00 0.00 29.97 29.80 1ggw h ARG 100 CO -0.10 0.37 0.61 -0.92 -3.11 0.00 0.00 179.97 176.82 1ggw h TYR 101 N -0.24 0.87 -0.01 2.20 3.20 -1.20 0.40 116.97 122.19 1ggw h TYR 101 Ca 0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1ggw h TYR 101 Cb 0.34 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1ggw h TYR 101 CO 0.04 0.24 -0.06 0.28 -1.64 0.00 0.00 178.16 177.01 1ggw h VAL 102 N 0.66 1.54 0.00 1.81 2.07 -1.30 -3.25 116.25 117.79 1ggw h VAL 102 Ca 0.52 -1.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.28 1ggw h VAL 102 Cb 0.93 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 1ggw h VAL 102 CO -0.28 0.44 -0.38 -0.07 0.02 0.00 0.00 177.57 177.30 1ggw h LEU 103 N -0.61 0.00 -0.87 2.57 3.38 -0.78 -3.07 115.31 115.93 1ggw h LEU 103 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ggw h LEU 103 Cb 0.76 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1ggw h LEU 103 CO 0.01 0.38 0.14 0.74 0.09 0.00 0.00 178.44 179.80 1ggw h THR 104 N 0.00 1.25 0.00 0.22 2.02 -0.31 -2.36 112.91 113.73 1ggw h THR 104 Ca -0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1ggw h THR 104 Cb 0.75 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1ggw h THR 104 CO 0.05 0.34 0.00 -1.54 0.37 0.00 0.00 175.52 174.74 1ggw n SER 105 N -4.25 0.44 0.07 4.18 3.41 -1.16 -2.25 113.62 114.06 1ggw n SER 105 Ca 0.04 0.60 -0.03 0.00 -0.26 0.00 0.00 58.87 59.22 1ggw n SER 105 Cb 0.25 -0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 1ggw n SER 105 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ggw h LEU 106 N 0.00 -0.18 -4.98 1.04 3.38 -1.50 -3.45 115.31 109.63 1ggw h LEU 106 Ca 0.00 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1ggw h LEU 106 Cb 0.35 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.01 1ggw h LEU 106 CO 0.00 -0.01 -0.28 0.61 0.09 0.00 0.00 178.44 178.85 1ggw n GLY 107 N 0.66 1.13 3.38 0.83 0.00 -1.24 -5.00 105.19 104.95 1ggw n GLY 107 Ca -0.03 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.67 -6.30 0.00 1.61 4.71 -0.95 -5.03 120.64 114.01 1ggw n GLU 108 Ca -0.07 0.84 0.00 0.00 -0.01 0.00 0.00 57.16 57.92 1ggw n GLU 108 Cb 0.83 -5.82 0.00 0.00 -1.01 0.00 0.00 31.44 25.44 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ggw n LYS 109 N -4.04 2.94 -1.85 3.49 3.00 -1.23 -4.64 118.16 115.83 1ggw n LYS 109 Ca -0.27 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.69 1ggw n LYS 109 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.64 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 3.64 0.00 3.14 4.77 -1.26 -4.89 117.00 122.39 1ggw n LEU 110 Ca 0.00 -3.20 -0.19 0.00 -0.03 0.00 0.00 56.01 52.59 1ggw n LEU 110 Cb 0.00 -1.56 0.18 0.00 -2.33 0.00 0.00 43.42 39.71 1ggw n LEU 110 CO 0.00 -1.15 0.26 -1.54 -1.33 0.00 0.00 177.39 173.63 1ggw n SER 111 N 11.68 -2.99 -0.26 -1.43 3.41 -1.26 -4.38 113.62 118.39 1ggw n SER 111 Ca 0.47 -0.65 0.17 0.00 -0.26 0.00 0.00 58.87 58.60 1ggw n SER 111 Cb 0.45 -0.63 0.46 0.00 -0.26 0.00 0.00 64.21 64.22 1ggw n SER 111 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ggw h ASN 112 N -2.82 0.50 0.08 4.04 -0.73 -1.93 -1.49 115.58 113.23 1ggw h ASN 112 Ca -0.25 0.05 -0.00 0.00 1.87 0.00 0.00 56.30 57.96 1ggw h ASN 112 Cb 0.83 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.38 1ggw h ASN 112 CO 0.16 0.21 -0.04 -0.08 -0.37 0.00 0.00 177.43 177.31 1ggw h GLU 113 N 0.50 -0.10 -0.05 6.67 4.22 -1.97 0.23 114.58 124.08 1ggw h GLU 113 Ca 0.48 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.94 1ggw h GLU 113 Cb 1.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1ggw h GLU 113 CO -0.21 0.17 -0.01 1.49 -2.18 0.00 0.00 179.01 178.27 1ggw h GLU 114 N -0.37 -0.00 0.00 1.92 4.57 -1.66 -1.90 114.58 117.14 1ggw h GLU 114 Ca -0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1ggw h GLU 114 Cb 0.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1ggw h GLU 114 CO 0.02 -0.00 -0.25 0.00 -1.18 0.00 0.00 179.01 177.60 1ggw h MET 115 N -0.00 0.00 -0.21 1.92 -0.00 -1.32 -2.68 114.93 112.64 1ggw h MET 115 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.74 1ggw h MET 115 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.62 1ggw h MET 115 CO -0.06 0.25 0.08 -0.44 -0.00 0.00 0.00 176.91 176.74 1ggw h ASP 116 N 0.00 0.11 -0.47 -0.10 3.32 0.27 0.26 116.42 119.81 1ggw h ASP 116 Ca -0.00 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1ggw h ASP 116 Cb 0.52 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1ggw h ASP 116 CO 0.03 0.09 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.27 1ggw h GLU 117 N 0.19 0.85 -0.72 3.56 5.08 -1.29 -0.98 114.58 121.27 1ggw h GLU 117 Ca 0.09 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1ggw h GLU 117 Cb 0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1ggw h GLU 117 CO -0.08 0.92 0.42 1.37 -1.00 0.00 0.00 179.01 180.64 1ggw h LEU 118 N 0.70 0.87 -0.77 1.33 8.10 -1.14 -2.39 115.31 122.01 1ggw h LEU 118 Ca 0.13 -0.07 -0.13 0.00 0.11 0.00 0.00 57.88 57.92 1ggw h LEU 118 Cb 0.56 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1ggw h LEU 118 CO 0.03 0.69 -0.50 -0.07 -4.11 0.00 0.00 178.44 174.48 1ggw h LEU 119 N 0.98 0.31 -0.94 0.17 3.38 -0.37 -2.75 115.31 116.09 1ggw h LEU 119 Ca 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ggw h LEU 119 Cb -0.01 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1ggw h LEU 119 CO -0.05 0.76 0.54 0.50 0.09 0.00 0.00 178.44 180.29 1ggw h LYS 120 N 0.22 1.28 -0.07 1.13 3.64 -0.69 -3.09 116.57 119.00 1ggw h LYS 120 Ca 0.01 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 1ggw h LYS 120 Cb 0.97 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1ggw h LYS 120 CO 0.08 0.91 -0.21 0.78 -2.27 0.00 0.00 179.45 178.75 1ggw h GLY 121 N 1.30 0.28 -6.28 5.01 0.00 -1.36 -3.43 103.07 98.60 1ggw h GLY 121 Ca 0.33 -0.37 -0.60 0.00 0.00 0.00 0.00 47.33 46.69 1ggw h GLY 121 CO -0.06 0.33 0.36 0.14 0.00 0.00 0.00 176.54 177.31 1ggw s VAL 122 N -3.78 4.83 -1.14 4.60 1.01 -1.05 -4.96 120.40 119.91 1ggw s VAL 122 Ca -0.15 1.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.90 1ggw s VAL 122 Cb 0.03 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1ggw s VAL 122 CO 0.75 -0.19 2.27 -0.81 0.00 0.00 0.00 175.10 177.12 1ggw n PRO 123 N 6.09 2.43 -4.05 2.72 -0.04 -1.26 -4.75 135.00 136.14 1ggw n PRO 123 Ca 0.03 -1.95 -0.21 0.00 -0.04 0.00 0.00 63.50 61.33 1ggw n PRO 123 Cb 0.48 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.06 1ggw n PRO 123 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ggw n VAL 124 N 4.72 0.00 -5.19 0.52 0.24 -1.26 -5.13 118.33 112.23 1ggw n VAL 124 Ca 0.55 -2.05 -0.32 0.00 -2.04 0.00 0.00 64.34 60.48 1ggw n VAL 124 Cb 0.28 0.76 -0.16 0.00 -1.47 0.00 0.00 33.84 33.24 1ggw n VAL 124 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ggw s LYS 125 N -3.32 2.59 -1.31 7.34 3.01 -1.26 -4.61 119.74 122.18 1ggw s LYS 125 Ca 0.19 -0.87 0.00 0.00 -1.01 0.00 0.00 55.97 54.28 1ggw s LYS 125 Cb 0.01 -2.21 0.00 0.00 -1.01 0.00 0.00 37.83 34.61 1ggw s LYS 125 CO 0.13 0.40 0.00 -3.47 0.51 0.00 0.00 175.35 172.93 1ggw n ASP 126 N 2.90 -5.03 -3.05 2.83 -0.08 -1.26 -3.47 116.55 109.38 1ggw n ASP 126 Ca -0.17 0.30 -0.08 0.00 -1.51 0.00 0.00 54.79 53.33 1ggw n ASP 126 Cb 0.52 -3.61 0.04 0.00 2.34 0.00 0.00 41.12 40.41 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 -0.74 -1.08 3.30 0.27 0.00 -1.26 0.10 105.19 105.78 1ggw n GLY 127 Ca -0.12 0.48 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 1ggw n GLY 127 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 128 N -3.77 3.13 0.00 1.61 0.00 -1.20 -2.23 119.30 116.84 1ggw s MET 128 Ca 0.25 -0.80 0.15 0.00 0.00 0.00 0.00 55.69 55.29 1ggw s MET 128 Cb -0.03 -3.14 0.24 0.00 0.00 0.00 0.00 34.83 31.89 1ggw s MET 128 CO 0.69 -0.34 1.07 0.28 0.00 0.00 0.00 175.02 176.72 1ggw n VAL 129 N 4.79 0.00 -2.06 10.11 0.31 -1.26 -4.83 118.33 125.38 1ggw n VAL 129 Ca -0.16 -0.56 -0.19 0.00 -0.01 0.00 0.00 64.34 63.42 1ggw n VAL 129 Cb 0.49 0.76 -0.04 0.00 -0.91 0.00 0.00 33.84 34.14 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 0.28 -5.44 -4.12 4.52 5.15 -1.26 -2.80 115.26 111.59 1ggw n ASN 130 Ca 0.01 0.16 -0.31 0.00 -0.60 0.00 0.00 54.58 53.85 1ggw n ASN 130 Cb 0.94 -4.53 -0.03 0.00 -0.53 0.00 0.00 39.78 35.63 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ggw n TYR 131 N -3.44 -1.65 0.03 1.20 9.36 -1.26 -4.74 117.16 116.66 1ggw n TYR 131 Ca -0.21 0.76 -0.00 0.00 3.32 0.00 0.00 57.90 61.76 1ggw n TYR 131 Cb 0.66 -3.28 -0.00 0.00 -0.63 0.00 0.00 39.34 36.09 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 -4.41 0.00 -0.01 2.98 -0.00 -1.12 -4.55 115.22 108.10 1ggw n HIS 132 Ca -0.13 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.08 1ggw n HIS 132 Cb 0.60 -0.02 0.40 0.00 -0.12 0.00 0.00 29.99 30.85 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 -0.02 0.50 0.34 0.26 5.19 -1.89 0.25 116.42 121.05 1ggw h ASP 133 Ca -0.01 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1ggw h ASP 133 Cb 0.42 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1ggw h ASP 133 CO -0.00 0.39 -0.16 -0.26 -3.12 0.00 0.00 179.24 176.08 1ggw h PHE 134 N 0.58 -0.42 -0.33 4.55 0.04 -1.89 -2.39 116.94 117.08 1ggw h PHE 134 Ca 0.15 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 1ggw h PHE 134 Cb -0.02 0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1ggw h PHE 134 CO 0.00 -0.09 0.05 0.28 -0.60 0.00 0.00 178.31 177.96 1ggw h VAL 135 N -0.84 1.17 0.16 -0.55 2.07 -1.76 -1.66 116.25 114.84 1ggw h VAL 135 Ca -0.05 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1ggw h VAL 135 Cb 0.53 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ggw h VAL 135 CO 0.08 0.22 -0.10 -0.61 0.02 0.00 0.00 177.57 177.18 1ggw h GLN 136 N 0.47 -0.24 -0.24 1.57 4.15 -0.48 -1.02 115.11 119.33 1ggw h GLN 136 Ca 0.11 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 1ggw h GLN 136 Cb 0.23 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1ggw h GLN 136 CO 0.00 -0.16 -0.18 1.98 -1.93 0.00 0.00 178.83 178.54 1ggw h MET 137 N -0.25 0.41 -0.01 1.69 4.05 -1.24 -1.11 114.93 118.47 1ggw h MET 137 Ca -0.02 -0.13 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 1ggw h MET 137 Cb 0.21 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1ggw h MET 137 CO 0.02 0.59 -0.28 0.82 0.23 0.00 0.00 176.91 178.29 1ggw h ILE 138 N 0.38 1.20 -0.02 1.77 2.04 -0.91 -2.63 117.51 119.34 1ggw h ILE 138 Ca 0.07 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1ggw h ILE 138 Cb 0.54 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1ggw h ILE 138 CO 0.04 0.28 -0.31 0.18 0.00 0.00 0.00 178.15 178.34 1ggw n LEU 139 N -4.21 2.26 -4.02 1.44 4.32 -0.42 -4.74 117.00 111.63 1ggw n LEU 139 Ca -0.02 -0.80 -0.33 0.00 -0.02 0.00 0.00 56.01 54.84 1ggw n LEU 139 Cb 0.33 -0.01 -0.12 0.00 -1.62 0.00 0.00 43.42 42.01 1ggw n LEU 139 CO 0.38 0.40 -0.05 0.00 -1.22 0.00 0.00 177.39 176.90 1ggw s ALA 140 N -2.32 3.49 0.00 -1.18 0.00 -0.46 -5.08 121.76 116.21 1ggw s ALA 140 Ca 0.22 -3.32 0.00 0.00 0.00 0.00 0.00 51.96 48.86 1ggw s ALA 140 Cb 0.19 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1ggw s ALA 140 CO 0.48 -2.07 0.00 0.27 0.00 0.00 0.00 175.76 174.44