#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wol s LYS 2 N 0.00 0.43 0.44 0.03 1.02 -1.26 -5.15 119.74 115.25 1wol s LYS 2 Ca 0.00 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.18 1wol s LYS 2 Cb 0.00 0.15 -0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1wol s LYS 2 CO 0.00 -0.08 0.64 1.03 -0.92 0.00 0.00 175.35 176.02 1wol s ARG 3 N -2.38 3.03 0.21 1.68 0.52 -1.26 -5.00 118.95 115.76 1wol s ARG 3 Ca -0.07 -0.61 -0.10 0.00 -0.52 0.00 0.00 55.73 54.43 1wol s ARG 3 Cb -0.03 -2.60 0.19 0.00 0.52 0.00 0.00 34.95 33.03 1wol s ARG 3 CO -0.04 -0.24 1.85 0.28 0.02 0.00 0.00 175.30 177.16 1wol h VAL 4 N 0.46 1.10 0.00 3.52 2.07 -1.95 -1.02 116.25 120.43 1wol h VAL 4 Ca -0.46 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1wol h VAL 4 Cb 1.26 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1wol h VAL 4 CO 0.56 0.16 -0.12 1.05 0.02 0.00 0.00 177.57 179.24 1wol h GLU 5 N 0.88 0.00 -0.32 1.57 4.11 -1.95 -1.76 114.58 117.10 1wol h GLU 5 Ca 0.29 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.57 1wol h GLU 5 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1wol h GLU 5 CO -0.11 0.12 -0.37 -0.44 0.07 0.00 0.00 179.01 178.29 1wol h ASP 6 N 0.00 0.88 -0.48 3.06 3.45 -1.58 -0.35 116.42 121.41 1wol h ASP 6 Ca -0.00 -0.48 0.02 0.00 0.43 0.00 0.00 57.03 57.00 1wol h ASP 6 Cb 0.25 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.73 1wol h ASP 6 CO 0.02 1.19 0.29 -0.50 -1.57 0.00 0.00 179.24 178.66 1wol h TRP 7 N 0.60 0.54 -0.55 4.55 4.06 -1.09 0.11 115.95 124.17 1wol h TRP 7 Ca 0.05 0.02 -0.10 0.00 2.06 0.00 0.00 58.89 60.91 1wol h TRP 7 Cb 0.96 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.93 1wol h TRP 7 CO 0.07 0.31 -0.06 0.82 -3.56 0.00 0.00 178.44 176.02 1wol h ILE 8 N 0.58 1.27 -0.63 1.49 1.08 -1.23 -0.30 117.51 119.76 1wol h ILE 8 Ca 0.19 -1.21 -0.02 0.00 -0.39 0.00 0.00 64.86 63.43 1wol h ILE 8 Cb 0.00 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 1wol h ILE 8 CO -0.08 0.43 0.32 0.11 -0.69 0.00 0.00 178.15 178.23 1wol h LYS 9 N 0.89 0.90 -0.95 2.37 1.57 -0.82 0.12 116.57 120.65 1wol h LYS 9 Ca 0.15 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1wol h LYS 9 Cb 0.62 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1wol h LYS 9 CO 0.04 0.71 0.63 1.96 -0.57 0.00 0.00 179.45 182.22 1wol h GLN 10 N 0.86 1.21 -0.22 3.15 4.20 -0.63 -0.03 115.11 123.66 1wol h GLN 10 Ca 0.22 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.68 1wol h GLN 10 Cb 0.10 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1wol h GLN 10 CO -0.03 0.80 -0.57 0.00 -0.67 0.00 0.00 178.83 178.36 1wol h ALA 11 N 1.42 0.57 -0.41 3.87 0.00 -0.12 -0.56 119.26 124.04 1wol h ALA 11 Ca 0.36 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1wol h ALA 11 Cb -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1wol h ALA 11 CO -0.09 0.69 -0.02 0.93 0.00 0.00 0.00 179.25 180.75 1wol h GLU 12 N 0.53 0.66 -0.08 0.00 5.08 -0.30 -1.16 114.58 119.31 1wol h GLU 12 Ca 0.01 -0.17 -0.22 0.00 -1.00 0.00 0.00 59.36 57.98 1wol h GLU 12 Cb 1.15 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.32 1wol h GLU 12 CO 0.12 0.70 -0.83 -0.09 -1.00 0.00 0.00 179.01 177.90 1wol h ARG 13 N 0.62 0.60 -0.73 2.33 9.65 -0.72 -1.75 114.38 124.39 1wol h ARG 13 Ca 0.12 -0.54 0.01 0.00 -1.10 0.00 0.00 59.98 58.48 1wol h ARG 13 Cb 0.43 0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 1wol h ARG 13 CO 0.02 1.16 0.48 -0.44 2.80 0.00 0.00 179.97 183.98 1wol h ASP 14 N 0.39 0.81 -0.23 -3.80 3.32 -0.81 0.78 116.42 116.88 1wol h ASP 14 Ca -0.06 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1wol h ASP 14 Cb 1.45 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1wol h ASP 14 CO 0.16 0.58 0.14 0.25 -1.72 0.00 0.00 179.24 178.65 1wol h LEU 15 N 0.96 0.28 -0.74 1.55 5.85 -1.00 0.81 115.31 123.03 1wol h LEU 15 Ca 0.27 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1wol h LEU 15 Cb -0.08 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1wol h LEU 15 CO -0.07 0.24 0.46 -0.08 -0.34 0.00 0.00 178.44 178.65 1wol h GLU 16 N 0.29 0.85 -0.05 1.25 4.81 -1.02 -1.22 114.58 119.49 1wol h GLU 16 Ca 0.08 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1wol h GLU 16 Cb 0.01 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1wol h GLU 16 CO -0.02 0.56 -0.51 0.93 -0.73 0.00 0.00 179.01 179.25 1wol h GLU 17 N 0.88 0.15 -0.44 1.92 5.08 -0.57 -1.48 114.58 120.11 1wol h GLU 17 Ca 0.31 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1wol h GLU 17 Cb 0.07 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1wol h GLU 17 CO -0.13 0.63 0.14 0.00 -1.00 0.00 0.00 179.01 178.65 1wol h ALA 18 N 1.36 0.57 -0.80 3.43 0.00 -0.07 0.13 119.26 123.88 1wol h ALA 18 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1wol h ALA 18 Cb 0.95 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1wol h ALA 18 CO 0.07 0.22 0.42 0.00 0.00 0.00 0.00 179.25 179.96 1wol h ARG 19 N 0.57 1.13 -0.59 0.00 3.08 -1.10 -1.08 114.38 116.40 1wol h ARG 19 Ca 0.14 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1wol h ARG 19 Cb 0.25 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1wol h ARG 19 CO -0.01 0.85 0.30 -0.92 -1.07 0.00 0.00 179.97 179.13 1wol h TYR 20 N 1.12 0.84 -0.75 3.04 5.03 -0.88 -0.65 116.97 124.72 1wol h TYR 20 Ca 0.28 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.52 1wol h TYR 20 Cb 0.06 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.04 1wol h TYR 20 CO 0.01 0.63 0.33 0.00 -1.32 0.00 0.00 178.16 177.80 1wol h ALA 21 N 1.13 0.97 -0.83 1.82 0.00 -0.48 -2.32 119.26 119.56 1wol h ALA 21 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1wol h ALA 21 Cb 0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1wol h ALA 21 CO -0.03 0.56 0.47 -0.22 0.00 0.00 0.00 179.25 180.04 1wol h LYS 22 N 1.07 1.15 0.00 0.00 3.64 -0.67 0.25 116.57 122.01 1wol h LYS 22 Ca 0.25 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1wol h LYS 22 Cb 0.17 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1wol h LYS 22 CO -0.03 0.83 -0.02 1.03 -2.27 0.00 0.00 179.45 179.00 1wol h SER 23 N 1.15 0.00 0.13 4.20 0.87 -0.65 -0.46 113.55 118.79 1wol h SER 23 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1wol h SER 23 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1wol h SER 23 CO -0.05 0.02 -0.07 0.61 -0.53 0.00 0.00 176.83 176.80 1wol n GLY 24 N -1.40 -0.51 1.27 5.77 0.00 -0.68 -4.91 105.19 104.72 1wol n GLY 24 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1wol n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wol n GLY 25 N 1.20 0.66 3.12 -0.02 0.00 -0.18 -4.99 105.19 104.99 1wol n GLY 25 Ca 0.17 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1wol n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wol n TYR 26 N -2.64 3.46 0.04 1.61 4.02 -0.01 -4.82 117.16 118.82 1wol n TYR 26 Ca 0.00 -3.07 -0.06 0.00 -0.01 0.00 0.00 57.90 54.76 1wol n TYR 26 Cb 0.00 -1.54 0.12 0.00 -0.02 0.00 0.00 39.34 37.90 1wol n TYR 26 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1wol h TYR 27 N 5.96 0.49 -0.22 -0.72 0.99 -1.90 -0.55 116.97 121.03 1wol h TYR 27 Ca 0.22 -0.16 -0.06 0.00 2.00 0.00 0.00 58.73 60.73 1wol h TYR 27 Cb 0.71 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.33 1wol h TYR 27 CO 0.97 0.83 -0.14 1.05 -0.00 0.00 0.00 178.16 180.87 1wol h GLU 28 N 0.32 0.36 -0.07 4.88 9.09 -1.88 -1.29 114.58 125.99 1wol h GLU 28 Ca 0.01 -0.09 -0.01 0.00 0.05 0.00 0.00 59.36 59.32 1wol h GLU 28 Cb 1.00 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1wol h GLU 28 CO 0.09 0.50 -0.00 1.25 0.05 0.00 0.00 179.01 180.89 1wol h LEU 29 N 0.33 0.13 -1.30 3.06 5.85 -1.84 -0.44 115.31 121.11 1wol h LEU 29 Ca 0.06 -0.33 0.14 0.00 0.84 0.00 0.00 57.88 58.60 1wol h LEU 29 Cb 0.45 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 1wol h LEU 29 CO 0.03 0.43 0.57 0.00 -0.34 0.00 0.00 178.44 179.12 1wol h ALA 30 N 0.71 1.83 -0.27 1.25 0.00 -0.87 -0.93 119.26 120.97 1wol h ALA 30 Ca 0.02 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1wol h ALA 30 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wol h ALA 30 CO 0.00 -0.06 -0.57 0.00 0.00 0.00 0.00 179.25 178.62 1wol h PHE 32 N 0.64 0.66 0.00 0.00 3.57 -0.73 -2.17 116.94 118.90 1wol h PHE 32 Ca 0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1wol h PHE 32 Cb 1.18 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1wol h PHE 32 CO 0.08 0.45 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.19 1wol h LEU 33 N 0.67 0.00 -0.40 0.59 3.38 -1.08 -1.66 115.31 116.81 1wol h LEU 33 Ca 0.18 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1wol h LEU 33 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1wol h LEU 33 CO -0.03 0.35 -0.32 0.28 0.09 0.00 0.00 178.44 178.81 1wol h SER 34 N 0.00 0.97 -0.34 -0.43 0.02 -0.83 0.16 113.55 113.10 1wol h SER 34 Ca -0.00 -0.44 -0.07 0.00 -0.84 0.00 0.00 61.79 60.43 1wol h SER 34 Cb 0.74 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1wol h SER 34 CO 0.05 1.21 -0.02 -0.61 -1.14 0.00 0.00 176.83 176.32 1wol h GLN 35 N 0.75 0.71 -0.65 3.45 4.15 -1.02 -1.72 115.11 120.78 1wol h GLN 35 Ca 0.07 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 1wol h GLN 35 Cb 0.90 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 1wol h GLN 35 CO 0.08 0.74 0.31 1.96 -1.93 0.00 0.00 178.83 179.99 1wol h GLN 36 N 0.67 0.94 -0.06 1.69 1.08 -1.04 -0.07 115.11 118.32 1wol h GLN 36 Ca 0.13 -0.14 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1wol h GLN 36 Cb 0.44 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 1wol h GLN 36 CO 0.02 0.75 -0.22 0.00 -0.95 0.00 0.00 178.83 178.43 1wol h ALA 38 N 0.60 0.50 -0.39 0.00 0.00 -0.93 -1.51 119.26 117.53 1wol h ALA 38 Ca 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wol h ALA 38 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1wol h ALA 38 CO -0.24 0.10 0.25 1.49 0.00 0.00 0.00 179.25 180.85 1wol h GLU 39 N 0.48 0.50 -0.53 0.00 4.81 -0.86 -0.66 114.58 118.32 1wol h GLU 39 Ca 0.13 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1wol h GLU 39 Cb 0.18 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1wol h GLU 39 CO -0.01 0.33 0.22 0.87 -0.73 0.00 0.00 179.01 179.69 1wol h LYS 40 N 0.52 0.79 -0.53 1.92 6.56 -1.07 -0.25 116.57 124.50 1wol h LYS 40 Ca 0.15 -0.14 0.01 0.00 -1.06 0.00 0.00 60.65 59.61 1wol h LYS 40 Cb -0.05 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.46 1wol h LYS 40 CO -0.04 0.68 0.35 0.00 -2.06 0.00 0.00 179.45 178.38 1wol h ALA 41 N 1.06 0.68 -0.18 3.86 0.00 -1.01 -0.82 119.26 122.84 1wol h ALA 41 Ca 0.18 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1wol h ALA 41 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wol h ALA 41 CO -0.02 0.10 -0.42 0.28 0.00 0.00 0.00 179.25 179.20 1wol h VAL 42 N 0.71 1.31 0.00 0.00 2.07 -0.94 -0.63 116.25 118.76 1wol h VAL 42 Ca 0.20 -1.57 -0.10 0.00 0.82 0.00 0.00 66.70 66.04 1wol h VAL 42 Cb -0.06 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1wol h VAL 42 CO -0.05 0.48 -0.48 0.11 0.02 0.00 0.00 177.57 177.65 1wol h LYS 43 N 0.35 0.00 -0.20 1.57 1.57 -0.66 -0.29 116.57 118.92 1wol h LYS 43 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1wol h LYS 43 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1wol h LYS 43 CO 0.07 0.48 0.10 0.78 -0.57 0.00 0.00 179.45 180.32 1wol h GLY 44 N 1.68 0.30 0.97 3.86 0.00 -0.58 -0.86 103.07 108.44 1wol h GLY 44 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1wol h GLY 44 CO 0.06 0.13 0.24 -2.00 0.00 0.00 0.00 176.54 174.98 1wol h LEU 45 N 0.20 0.64 -1.07 3.11 5.85 -0.41 -1.70 115.31 121.93 1wol h LEU 45 Ca 0.07 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1wol h LEU 45 Cb 0.09 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1wol h LEU 45 CO -0.01 0.59 0.41 -0.07 -0.34 0.00 0.00 178.44 179.02 1wol h LEU 46 N 0.66 0.94 -0.57 2.25 4.07 -0.95 -0.25 115.31 121.46 1wol h LEU 46 Ca 0.17 -0.08 -0.13 0.00 0.08 0.00 0.00 57.88 57.92 1wol h LEU 46 Cb 0.11 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 1wol h LEU 46 CO -0.02 0.77 -0.23 -0.61 -1.08 0.00 0.00 178.44 177.26 1wol h GLN 47 N 1.06 0.90 -0.07 1.13 4.15 -0.96 0.67 115.11 122.00 1wol h GLN 47 Ca 0.27 -0.38 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 1wol h GLN 47 Cb 0.04 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1wol h GLN 47 CO -0.04 1.04 -0.19 0.35 -1.93 0.00 0.00 178.83 178.06 1wol h PHE 48 N 0.78 0.12 -0.00 3.99 3.57 -0.54 -1.36 116.94 123.50 1wol h PHE 48 Ca 0.10 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1wol h PHE 48 Cb 0.78 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1wol h PHE 48 CO 0.05 0.30 -0.20 1.04 -2.23 0.00 0.00 178.31 177.27 1wol n GLN 49 N -4.27 0.53 -2.38 1.11 6.02 -0.18 -4.91 117.38 113.31 1wol n GLN 49 Ca -0.02 -0.23 -0.21 0.00 -0.01 0.00 0.00 57.00 56.54 1wol n GLN 49 Cb 0.28 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.03 1wol n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wol n GLY 50 N 1.36 -0.44 2.75 1.08 0.00 -0.51 -4.95 105.19 104.47 1wol n GLY 50 Ca 0.12 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1wol n GLY 50 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wol n ILE 51 N -3.98 3.84 -1.65 -0.61 2.08 0.13 -5.02 119.36 114.15 1wol n ILE 51 Ca -0.25 -5.30 -0.49 0.00 0.56 0.00 0.00 62.75 57.26 1wol n ILE 51 Cb 0.69 -1.38 -0.05 0.00 -0.75 0.00 0.00 39.64 38.15 1wol n ILE 51 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1wol n GLU 52 N -0.31 1.90 -4.32 0.38 -0.58 -1.26 -4.91 120.64 111.55 1wol n GLU 52 Ca 0.42 0.67 -0.17 0.00 -0.42 0.00 0.00 57.16 57.66 1wol n GLU 52 Cb 0.38 -2.60 -0.10 0.00 -0.57 0.00 0.00 31.44 28.55 1wol n GLU 52 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1wol s LYS 53 N 4.49 1.32 0.16 3.49 1.02 -1.26 -5.18 119.74 123.78 1wol s LYS 53 Ca 0.96 -1.67 -0.00 0.00 0.02 0.00 0.00 55.97 55.28 1wol s LYS 53 Cb -0.73 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 1wol s LYS 53 CO 0.52 -0.12 0.06 1.03 -0.92 0.00 0.00 175.35 175.92 1wol s ARG 54 N -3.89 1.03 0.00 1.68 0.52 -1.26 -5.09 118.95 111.95 1wol s ARG 54 Ca 0.29 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 1wol s ARG 54 Cb 0.06 0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.66 1wol s ARG 54 CO 0.09 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1wol n GLY 55 N -0.17 1.28 0.17 -3.53 0.00 -1.26 -4.89 105.19 96.80 1wol n GLY 55 Ca -0.04 -2.23 0.02 0.00 0.00 0.00 0.00 46.02 43.76 1wol n GLY 55 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wol n HIS 56 N -1.16 0.12 -2.71 1.61 8.25 -1.26 -4.96 115.22 115.11 1wol n HIS 56 Ca 0.00 -0.49 -0.43 0.00 -0.26 0.00 0.00 57.72 56.55 1wol n HIS 56 Cb 0.00 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 1wol n HIS 56 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wol s SER 57 N -0.98 7.09 0.24 0.41 0.15 -1.26 -4.90 113.70 114.45 1wol s SER 57 Ca 0.06 1.36 -0.01 0.00 0.70 0.00 0.00 55.95 58.06 1wol s SER 57 Cb 0.03 -2.52 0.27 0.00 -1.71 0.00 0.00 66.02 62.09 1wol s SER 57 CO 0.04 -0.58 1.65 0.40 1.20 0.00 0.00 173.24 175.95 1wol h ILE 58 N 5.35 1.28 -0.40 6.45 2.04 -1.93 -2.73 117.51 127.57 1wol h ILE 58 Ca -0.23 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 1wol h ILE 58 Cb 1.09 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1wol h ILE 58 CO 0.93 0.45 0.11 -1.28 0.00 0.00 0.00 178.15 178.36 1wol h SER 59 N 0.52 0.53 1.84 1.72 0.87 -1.91 -2.33 113.55 114.79 1wol h SER 59 Ca 0.07 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1wol h SER 59 Cb 0.77 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1wol h SER 59 CO 0.06 0.52 -0.10 0.45 -0.53 0.00 0.00 176.83 177.23 1wol h HIS 60 N 0.57 0.00 0.00 2.24 3.86 -1.91 -3.11 115.15 116.81 1wol h HIS 60 Ca 0.14 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 1wol h HIS 60 Cb 0.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1wol h HIS 60 CO 0.01 0.10 -0.48 -0.07 0.86 0.00 0.00 177.93 178.35 1wol h LEU 61 N 0.00 0.00-10.23 2.43 3.38 -1.13 -3.45 115.31 106.31 1wol h LEU 61 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1wol h LEU 61 Cb 1.05 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.82 1wol h LEU 61 CO 0.01 0.48 0.29 -0.76 0.09 0.00 0.00 178.44 178.55 1wol s LEU 62 N -6.92 3.60 -0.23 1.67 1.43 -1.10 -4.99 118.68 112.15 1wol s LEU 62 Ca 0.01 1.36 -0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1wol s LEU 62 Cb 0.10 -4.31 0.06 0.00 0.03 0.00 0.00 46.19 42.08 1wol s LEU 62 CO 0.72 -0.59 -0.02 -0.89 0.23 0.00 0.00 176.35 175.79 1wol s THR 63 N -2.68 1.22 -1.45 5.49 2.01 -1.26 -4.85 115.64 114.12 1wol s THR 63 Ca 0.55 -1.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 1wol s THR 63 Cb -0.10 -1.58 0.05 0.00 0.01 0.00 0.00 72.50 70.88 1wol s THR 63 CO 0.37 -0.16 0.80 0.59 -0.69 0.00 0.00 174.62 175.53 1wol n ASN 64 N 4.78 -2.82 -4.76 3.53 3.02 -1.26 -4.97 115.26 112.78 1wol n ASN 64 Ca -0.11 -0.84 -0.29 0.00 -0.03 0.00 0.00 54.58 53.32 1wol n ASN 64 Cb 0.45 -3.76 0.14 0.00 -0.61 0.00 0.00 39.78 35.99 1wol n ASN 64 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wol s PRO 65 N -6.41 1.16 0.81 3.52 0.04 -1.26 -5.00 135.00 127.86 1wol s PRO 65 Ca 0.35 0.42 -0.13 0.00 0.04 0.00 0.00 61.00 61.68 1wol s PRO 65 Cb -0.18 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.62 1wol s PRO 65 CO 0.84 -2.21 1.19 -2.14 0.04 0.00 0.00 177.00 174.71 1wol s PRO 66 N -5.18 1.62 0.24 0.56 0.02 -1.26 -4.69 135.00 126.32 1wol s PRO 66 Ca 0.64 1.68 -0.05 0.00 0.02 0.00 0.00 61.00 63.29 1wol s PRO 66 Cb -0.16 -1.78 0.44 0.00 0.02 0.00 0.00 34.50 33.02 1wol s PRO 66 CO 0.54 -2.21 1.71 0.00 -0.33 0.00 0.00 177.00 176.72 1wol h ALA 67 N -1.01 0.98 -0.07 -1.55 0.00 -1.99 -0.74 119.26 114.87 1wol h ALA 67 Ca -0.46 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1wol h ALA 67 Cb 1.29 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1wol h ALA 67 CO 0.46 -0.26 -0.37 0.38 0.00 0.00 0.00 179.25 179.46 1wol h ASP 68 N 0.37 0.15 -0.04 0.00 2.03 -1.99 0.10 116.42 117.04 1wol h ASP 68 Ca 0.40 -0.06 -0.04 0.00 -0.73 0.00 0.00 57.03 56.60 1wol h ASP 68 Cb 0.63 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1wol h ASP 68 CO -0.43 0.51 -0.15 0.40 -1.03 0.00 0.00 179.24 178.55 1wol h ILE 69 N 0.13 1.47 -0.92 4.15 1.08 -1.61 -2.05 117.51 119.75 1wol h ILE 69 Ca 0.01 -1.59 0.06 0.00 -0.39 0.00 0.00 64.86 62.96 1wol h ILE 69 Cb 0.71 2.41 -0.06 0.00 -3.07 0.00 0.00 36.82 36.81 1wol h ILE 69 CO 0.05 0.44 0.60 0.25 -0.69 0.00 0.00 178.15 178.80 1wol h LEU 70 N -0.40 0.93 -0.46 1.44 5.85 -0.87 0.17 115.31 121.98 1wol h LEU 70 Ca -0.01 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1wol h LEU 70 Cb 0.79 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1wol h LEU 70 CO 0.03 0.60 0.15 1.56 -0.34 0.00 0.00 178.44 180.44 1wol h GLN 71 N 1.06 0.72 -0.16 1.25 4.20 -0.76 0.11 115.11 121.52 1wol h GLN 71 Ca 0.40 -0.15 -0.19 0.00 0.06 0.00 0.00 58.65 58.76 1wol h GLN 71 Cb 0.19 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1wol h GLN 71 CO -0.15 0.68 -0.68 0.00 -0.67 0.00 0.00 178.83 178.01 1wol h ALA 73 N 0.77 0.16 -0.76 0.00 0.00 -0.43 0.28 119.26 119.28 1wol h ALA 73 Ca -0.02 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1wol h ALA 73 Cb 1.28 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1wol h ALA 73 CO 0.13 -0.35 0.42 1.15 0.00 0.00 0.00 179.25 180.61 1wol h THR 74 N 0.16 0.91 -0.19 0.00 2.02 -0.74 0.67 112.91 115.74 1wol h THR 74 Ca 0.05 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1wol h THR 74 Cb -0.01 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1wol h THR 74 CO -0.01 0.13 0.02 0.15 0.37 0.00 0.00 175.52 176.18 1wol h PHE 75 N 0.73 0.34 -0.03 3.16 3.57 -1.07 -2.90 116.94 120.74 1wol h PHE 75 Ca 0.36 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 1wol h PHE 75 Cb 0.32 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1wol h PHE 75 CO -0.08 0.49 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.01 1wol h LEU 76 N 0.09 0.07 -2.38 0.59 3.38 -0.48 -2.77 115.31 113.82 1wol h LEU 76 Ca 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1wol h LEU 76 Cb 0.34 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1wol h LEU 76 CO 0.01 0.48 -0.03 0.44 0.09 0.00 0.00 178.44 179.42 1wol h ASP 77 N 0.06 0.00 0.85 -0.43 3.32 -0.68 -0.32 116.42 119.23 1wol h ASP 77 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wol h ASP 77 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1wol h ASP 77 CO 0.06 0.03 0.00 0.29 -1.72 0.00 0.00 179.24 177.90 1wol n LYS 78 N -3.43 0.07 -1.97 3.56 4.76 -1.04 -4.79 118.16 115.31 1wol n LYS 78 Ca -0.02 0.18 -0.29 0.00 -2.87 0.00 0.00 58.31 55.31 1wol n LYS 78 Cb 0.15 -1.60 0.05 0.00 -1.84 0.00 0.00 35.03 31.78 1wol n LYS 78 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1wol s GLN 79 N -3.06 2.84 -0.25 1.97 -1.52 -0.13 -4.77 119.66 114.73 1wol s GLN 79 Ca 0.10 0.37 -0.23 0.00 -1.95 0.00 0.00 55.36 53.65 1wol s GLN 79 Cb 0.13 -2.06 -0.10 0.00 -0.22 0.00 0.00 33.01 30.76 1wol s GLN 79 CO 0.43 -1.00 1.07 0.98 -0.25 0.00 0.00 175.29 176.52 1wol n TYR 80 N -2.95 0.61 -3.90 0.91 9.36 -1.26 -4.81 117.16 115.12 1wol n TYR 80 Ca 0.07 0.41 0.01 0.00 3.32 0.00 0.00 57.90 61.70 1wol n TYR 80 Cb 0.57 -1.16 0.00 0.00 -0.63 0.00 0.00 39.34 38.12 1wol n TYR 80 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1wol n THR 81 N 3.21 0.00 -3.71 2.97 -1.04 -1.26 -5.10 114.28 109.35 1wol n THR 81 Ca 0.27 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.05 62.14 1wol n THR 81 Cb -0.02 0.09 -0.12 0.00 -1.82 0.00 0.00 70.33 68.45 1wol n THR 81 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1wol s PRO 82 N -2.00 0.24 0.06 -2.82 0.04 -1.26 -5.03 135.00 124.23 1wol s PRO 82 Ca 0.05 0.65 -0.27 0.00 0.04 0.00 0.00 61.00 61.46 1wol s PRO 82 Cb -0.00 -0.07 -0.13 0.00 0.04 0.00 0.00 34.50 34.34 1wol s PRO 82 CO -0.00 -0.19 1.42 0.66 0.04 0.00 0.00 177.00 178.93 1wol h SER 83 N 7.44 -1.02 0.00 6.66 4.64 -1.95 -3.39 113.55 125.94 1wol h SER 83 Ca -0.34 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1wol h SER 83 Cb 1.15 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1wol h SER 83 CO 0.30 -0.53 -0.17 0.54 -0.87 0.00 0.00 176.83 176.11 1wol n ARG 84 N -4.73 0.32 -3.63 4.77 3.00 -1.26 -4.84 116.66 110.30 1wol n ARG 84 Ca -0.10 -0.86 -0.04 0.00 -0.01 0.00 0.00 57.85 56.84 1wol n ARG 84 Cb 0.36 -0.60 -0.06 0.00 0.00 0.00 0.00 32.46 32.16 1wol n ARG 84 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1wol s TYR 85 N -0.24 -1.01 -0.97 -1.55 6.14 -1.26 -1.80 117.35 116.67 1wol s TYR 85 Ca 0.02 1.92 -0.25 0.00 0.64 0.00 0.00 57.07 59.40 1wol s TYR 85 Cb 0.01 0.60 -0.21 0.00 0.42 0.00 0.00 41.96 42.79 1wol s TYR 85 CO 0.00 -0.50 2.10 -2.30 0.64 0.00 0.00 175.55 175.49 1wol n PRO 86 N 4.50 0.16 0.00 4.97 -0.02 -1.26 -4.62 135.00 138.73 1wol n PRO 86 Ca -0.17 -1.43 0.00 0.00 -2.02 0.00 0.00 63.50 59.88 1wol n PRO 86 Cb 0.56 -3.68 0.00 0.00 -0.02 0.00 0.00 33.50 30.36 1wol n PRO 86 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1wol n ASP 87 N 18.70 0.00 -2.65 2.55 -0.08 -0.74 -4.49 116.55 129.83 1wol n ASP 87 Ca 0.40 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1wol n ASP 87 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1wol n ASP 87 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1wol n VAL 88 N -1.32 0.00 -2.29 5.18 0.31 -1.26 -4.77 118.33 114.18 1wol n VAL 88 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1wol n VAL 88 Cb 0.00 -1.40 -0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1wol n VAL 88 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1wol s TYR 89 N 3.26 2.74 0.41 3.52 1.13 -1.26 -5.00 117.35 122.16 1wol s TYR 89 Ca 0.00 1.55 -0.11 0.00 -1.41 0.00 0.00 57.07 57.10 1wol s TYR 89 Cb 0.00 -3.28 -0.07 0.00 -1.10 0.00 0.00 41.96 37.51 1wol s TYR 89 CO 0.00 -1.47 0.78 0.71 -2.51 0.00 0.00 175.55 173.06 1wol s TYR 90 N -1.75 3.47 0.46 -3.49 4.12 -1.26 -5.06 117.35 113.83 1wol s TYR 90 Ca 0.71 1.08 -0.17 0.00 0.02 0.00 0.00 57.07 58.71 1wol s TYR 90 Cb -0.24 -2.47 -0.09 0.00 -1.52 0.00 0.00 41.96 37.65 1wol s TYR 90 CO 0.27 -0.12 0.92 -1.21 0.02 0.00 0.00 175.55 175.43 1wol s GLU 91 N -3.84 4.00 3.75 -0.62 0.41 -1.26 -4.76 118.70 116.38 1wol s GLU 91 Ca 0.52 0.89 0.00 0.00 -0.41 0.00 0.00 54.97 55.97 1wol s GLU 91 Cb -0.10 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 1wol s GLU 91 CO 0.31 -0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.36 1wol n GLY 92 N -1.18 0.18 3.53 -1.39 0.00 -1.26 -4.53 105.19 100.54 1wol n GLY 92 Ca 0.06 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1wol n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wol s ALA 93 N -1.69 3.32 0.35 4.61 0.00 -1.26 -4.96 121.76 122.12 1wol s ALA 93 Ca 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 50.96 1wol s ALA 93 Cb 0.00 -3.39 0.75 0.00 0.00 0.00 0.00 23.12 20.47 1wol s ALA 93 CO 0.00 -1.84 1.89 -1.35 0.00 0.00 0.00 175.76 174.46 1wol h PRO 94 N 8.91 0.75 0.00 0.00 0.11 -1.86 -2.20 132.00 137.71 1wol h PRO 94 Ca -0.25 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1wol h PRO 94 Cb 1.09 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1wol h PRO 94 CO 0.93 0.49 -0.05 0.10 -0.21 0.00 0.00 178.00 179.26 1wol h TYR 95 N 0.77 0.00 0.00 0.65 -0.00 -1.96 -0.64 116.97 115.80 1wol h TYR 95 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.14 1wol h TYR 95 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.26 1wol h TYR 95 CO -0.00 0.05 0.00 0.39 -0.00 0.00 0.00 178.16 178.60 1wol n GLU 96 N -3.74 0.10 -0.08 0.10 1.02 -0.83 -2.93 120.64 114.28 1wol n GLU 96 Ca -0.02 0.37 0.04 0.00 -0.02 0.00 0.00 57.16 57.53 1wol n GLU 96 Cb 0.15 -1.71 0.09 0.00 -0.02 0.00 0.00 31.44 29.95 1wol n GLU 96 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wol n TYR 97 N -1.90 0.22 -3.20 -0.32 4.02 -0.25 -4.98 117.16 110.76 1wol n TYR 97 Ca 0.02 -0.31 -0.27 0.00 -0.01 0.00 0.00 57.90 57.33 1wol n TYR 97 Cb 0.18 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.45 1wol n TYR 97 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1wol s TYR 98 N -0.89 3.50 0.29 -0.72 1.51 -1.15 -5.10 117.35 114.78 1wol s TYR 98 Ca 0.15 0.63 0.03 0.00 -1.01 0.00 0.00 57.07 56.86 1wol s TYR 98 Cb 0.08 -2.11 -0.06 0.00 -0.11 0.00 0.00 41.96 39.77 1wol s TYR 98 CO 0.12 0.07 0.06 0.95 -1.11 0.00 0.00 175.55 175.64 1wol s THR 99 N -2.26 0.94 0.30 -0.71 -4.23 -1.26 -4.91 115.64 103.51 1wol s THR 99 Ca 0.44 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1wol s THR 99 Cb -0.10 -2.68 0.16 0.00 1.34 0.00 0.00 72.50 71.22 1wol s THR 99 CO 0.34 -0.04 1.85 -0.08 -0.54 0.00 0.00 174.62 176.14 1wol h GLU 100 N 2.26 0.73 -0.73 3.99 4.81 -1.97 -1.73 114.58 121.95 1wol h GLU 100 Ca -0.39 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 58.73 1wol h GLU 100 Cb 1.24 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1wol h GLU 100 CO 0.66 0.68 0.48 -0.09 -0.73 0.00 0.00 179.01 180.01 1wol h ARG 101 N 0.71 0.82 -0.35 1.92 2.43 -1.99 -0.12 114.38 117.79 1wol h ARG 101 Ca 0.16 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1wol h ARG 101 Cb 0.29 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1wol h ARG 101 CO 0.00 0.54 0.03 -0.44 -1.51 0.00 0.00 179.97 178.59 1wol h ASP 102 N 0.84 0.59 -0.57 -3.80 3.45 -1.73 0.16 116.42 115.36 1wol h ASP 102 Ca 0.30 -0.29 0.04 0.00 0.43 0.00 0.00 57.03 57.51 1wol h ASP 102 Cb 0.13 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.70 1wol h ASP 102 CO -0.09 0.73 0.33 0.00 -1.57 0.00 0.00 179.24 178.64 1wol h ALA 103 N 0.88 0.74 -0.44 3.45 0.00 -0.85 -0.23 119.26 122.82 1wol h ALA 103 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wol h ALA 103 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1wol h ALA 103 CO 0.01 0.02 0.26 -0.44 0.00 0.00 0.00 179.25 179.10 1wol h ASP 104 N 0.63 0.53 -0.57 0.00 3.32 -0.58 0.93 116.42 120.68 1wol h ASP 104 Ca 0.24 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1wol h ASP 104 Cb 0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1wol h ASP 104 CO -0.13 0.43 0.02 -0.33 -1.72 0.00 0.00 179.24 177.51 1wol h GLU 105 N 0.58 1.02 -0.12 3.56 5.08 -0.55 0.03 114.58 124.18 1wol h GLU 105 Ca 0.16 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1wol h GLU 105 Cb 0.01 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1wol h GLU 105 CO -0.03 0.99 -0.08 0.00 -1.00 0.00 0.00 179.01 178.88 1wol h ILE 107 N -0.10 1.04 -0.02 0.00 2.04 -0.69 -0.87 117.51 118.91 1wol h ILE 107 Ca 0.02 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 1wol h ILE 107 Cb 0.57 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1wol h ILE 107 CO 0.02 0.04 -0.29 0.78 0.00 0.00 0.00 178.15 178.71 1wol h ASN 108 N 0.17 0.04 -0.29 1.72 2.35 -0.99 0.06 115.58 118.64 1wol h ASN 108 Ca 0.05 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.65 1wol h ASN 108 Cb -0.01 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1wol h ASN 108 CO -0.01 0.32 -0.33 0.00 -1.65 0.00 0.00 177.43 175.76 1wol h ALA 110 N 0.93 1.33 -0.54 0.00 0.00 -0.45 -1.21 119.26 119.32 1wol h ALA 110 Ca 0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1wol h ALA 110 Cb 0.88 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1wol h ALA 110 CO 0.08 0.59 -0.12 0.82 0.00 0.00 0.00 179.25 180.62 1wol h ILE 111 N 1.30 1.27 -0.24 0.00 2.04 -0.85 0.55 117.51 121.57 1wol h ILE 111 Ca 0.39 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1wol h ILE 111 Cb -0.05 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1wol h ILE 111 CO -0.11 0.45 0.13 -0.09 0.00 0.00 0.00 178.15 178.53 1wol h ARG 112 N 0.91 0.34 -0.40 2.37 2.43 -0.83 0.94 114.38 120.15 1wol h ARG 112 Ca 0.14 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 1wol h ARG 112 Cb 0.69 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1wol h ARG 112 CO 0.05 0.31 -0.26 0.82 -1.51 0.00 0.00 179.97 179.39 1wol h ILE 113 N 0.28 1.28 -0.79 1.20 2.04 -0.99 -1.85 117.51 118.68 1wol h ILE 113 Ca 0.09 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 1wol h ILE 113 Cb 0.07 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1wol h ILE 113 CO -0.01 0.47 0.32 0.25 0.00 0.00 0.00 178.15 179.18 1wol h LEU 114 N 0.70 1.09 -0.40 1.44 5.85 -0.69 -0.02 115.31 123.27 1wol h LEU 114 Ca 0.08 -0.17 -0.18 0.00 0.84 0.00 0.00 57.88 58.45 1wol h LEU 114 Cb 0.83 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1wol h LEU 114 CO 0.07 0.96 -0.74 0.78 -0.34 0.00 0.00 178.44 179.17 1wol h ASN 115 N 1.15 0.46 -0.38 1.25 2.35 -0.75 -0.85 115.58 118.81 1wol h ASN 115 Ca 0.26 -0.31 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1wol h ASN 115 Cb 0.21 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1wol h ASN 115 CO -0.02 1.05 -0.20 -0.25 -1.65 0.00 0.00 177.43 176.36 1wol h TRP 116 N 0.26 0.99 -0.28 1.19 7.01 -0.92 -1.41 115.95 122.79 1wol h TRP 116 Ca -0.03 -0.22 -0.08 0.00 2.11 0.00 0.00 58.89 60.67 1wol h TRP 116 Cb 1.31 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 28.13 1wol h TRP 116 CO 0.04 0.99 -0.13 0.28 -2.79 0.00 0.00 178.44 176.84 1wol h VAL 117 N 0.76 1.29 -0.45 2.65 2.07 -0.81 -2.85 116.25 118.93 1wol h VAL 117 Ca 0.11 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.44 1wol h VAL 117 Cb 0.73 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1wol h VAL 117 CO 0.06 0.38 0.30 0.11 0.02 0.00 0.00 177.57 178.44 1wol h LYS 118 N 0.32 0.48 0.00 1.57 1.57 -0.92 -0.82 116.57 118.78 1wol h LYS 118 Ca 0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1wol h LYS 118 Cb 0.64 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1wol h LYS 118 CO 0.04 0.32 -0.06 0.78 -0.57 0.00 0.00 179.45 179.96 1wol h GLY 119 N 0.50 0.00 0.04 3.86 0.00 -1.02 -2.47 103.07 103.98 1wol h GLY 119 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1wol h GLY 119 CO -0.04 0.00 -0.80 -1.06 0.00 0.00 0.00 176.54 174.63 1wol n GLN 120 N -3.27 0.21 -3.15 4.80 6.02 -0.32 -4.59 117.38 117.07 1wol n GLN 120 Ca -0.01 -0.17 -0.45 0.00 -0.01 0.00 0.00 57.00 56.36 1wol n GLN 120 Cb 0.26 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 1wol n GLN 120 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1wol s ILE 121 N -2.90 5.31 0.00 5.09 1.01 -0.93 -5.09 121.20 123.69 1wol s ILE 121 Ca 0.11 -2.34 0.00 0.00 0.00 0.00 0.00 60.65 58.42 1wol s ILE 121 Cb 0.17 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.99 1wol s ILE 121 CO 0.78 -1.28 0.00 0.29 0.00 0.00 0.00 174.94 174.73