#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pww s LEU 1 N 0.00 1.54 0.26 2.46 2.96 -0.43 -4.97 118.68 120.50 2pww s LEU 1 Ca 0.00 -0.41 -0.15 0.00 -0.22 0.00 0.00 54.13 53.35 2pww s LEU 1 Cb 0.00 -1.04 -0.08 0.00 0.50 0.00 0.00 46.19 45.57 2pww s LEU 1 CO 0.00 -0.06 0.67 -0.54 -1.32 0.00 0.00 176.35 175.10 2pww s LYS 2 N 1.41 4.01 -0.66 1.98 -0.14 -1.26 -0.01 119.74 125.06 2pww s LYS 2 Ca 0.02 0.60 0.01 0.00 -1.36 0.00 0.00 55.97 55.24 2pww s LYS 2 Cb -0.13 -2.64 0.16 0.00 -1.68 0.00 0.00 37.83 33.54 2pww s LYS 2 CO -0.07 0.28 0.46 -0.06 -0.76 0.00 0.00 175.35 175.20 2pww s PHE 3 N -1.78 3.47 -2.05 3.18 0.08 -0.60 -4.95 117.98 115.32 2pww s PHE 3 Ca 0.48 -3.08 0.29 0.00 0.12 0.00 0.00 56.93 54.75 2pww s PHE 3 Cb -0.12 -2.97 1.37 0.00 -0.57 0.00 0.00 43.02 40.73 2pww s PHE 3 CO 0.19 -0.72 1.93 -0.35 -0.10 0.00 0.00 175.22 176.17 2pww n PRO 4 N 2.77 1.12 -0.97 0.24 -0.04 -1.26 -4.10 135.00 132.75 2pww n PRO 4 Ca 0.12 -0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 63.05 2pww n PRO 4 Cb 0.35 -1.49 0.19 0.00 -0.04 0.00 0.00 33.50 32.51 2pww n PRO 4 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2pww n ASP 5 N -0.58 2.93 0.06 3.54 8.00 -1.26 -4.59 116.55 124.65 2pww n ASP 5 Ca 0.19 -3.74 0.05 0.00 0.71 0.00 0.00 54.79 52.00 2pww n ASP 5 Cb 0.25 -0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 40.59 2pww n ASP 5 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2pww n THR 6 N -1.13 0.96 -1.04 -3.53 -2.24 -1.26 -4.95 114.28 101.08 2pww n THR 6 Ca 0.43 -0.63 -0.01 0.00 -2.27 0.00 0.00 64.05 61.56 2pww n THR 6 Cb 1.26 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 2pww n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pww n GLY 7 N 1.31 0.34 0.25 3.38 0.00 -1.26 -4.87 105.19 104.34 2pww n GLY 7 Ca -0.06 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2pww n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pww h LEU 8 N 0.00 0.00 0.00 0.99 3.38 -1.93 -2.79 115.31 114.96 2pww h LEU 8 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pww h LEU 8 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2pww h LEU 8 CO 0.04 0.16 -0.01 -0.33 0.09 0.00 0.00 178.44 178.40 2pww h GLU 9 N 0.00 0.00 -0.37 1.13 3.07 -1.90 -3.38 114.58 113.13 2pww h GLU 9 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 2pww h GLU 9 Cb 0.39 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 2pww h GLU 9 CO 0.02 0.00 -0.14 0.93 -1.40 0.00 0.00 179.01 178.42 2pww h GLU 10 N 0.00 0.67 -4.97 2.33 4.39 -1.81 -3.43 114.58 111.76 2pww h GLU 10 Ca 0.00 -0.23 -0.52 0.00 0.34 0.00 0.00 59.36 58.96 2pww h GLU 10 Cb 0.76 -0.05 -0.32 0.00 -0.10 0.00 0.00 28.75 29.04 2pww h GLU 10 CO 0.00 0.79 -0.82 -1.59 -1.16 0.00 0.00 179.01 176.23 2pww s LYS 11 N -4.72 1.55 0.41 2.33 -2.85 -1.26 -5.12 119.74 110.08 2pww s LYS 11 Ca -0.08 -0.49 -0.26 0.00 -1.00 0.00 0.00 55.97 54.13 2pww s LYS 11 Cb 0.14 -1.35 -0.09 0.00 -2.06 0.00 0.00 37.83 34.47 2pww s LYS 11 CO 0.81 0.17 1.34 -1.21 0.10 0.00 0.00 175.35 176.55 2pww s GLU 12 N 0.20 3.96 0.04 1.78 2.02 -1.26 -4.75 118.70 120.68 2pww s GLU 12 Ca -0.06 2.23 -0.03 0.00 0.02 0.00 0.00 54.97 57.13 2pww s GLU 12 Cb -0.12 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 2pww s GLU 12 CO 0.02 -0.53 0.04 0.54 0.02 0.00 0.00 175.26 175.35 2pww s VAL 13 N -1.23 0.15 0.41 2.63 0.11 -0.77 -4.93 120.40 116.76 2pww s VAL 13 Ca 0.57 -1.22 -0.27 0.00 -2.93 0.00 0.00 61.98 58.13 2pww s VAL 13 Cb -0.40 -0.91 -0.10 0.00 -1.53 0.00 0.00 36.38 33.45 2pww s VAL 13 CO 0.51 -0.67 1.45 0.00 -3.33 0.00 0.00 175.10 173.07 2pww s ALA 14 N -2.68 3.42 0.20 1.54 0.00 -1.26 -0.23 121.76 122.75 2pww s ALA 14 Ca -0.04 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 2pww s ALA 14 Cb -0.01 -3.60 0.24 0.00 0.00 0.00 0.00 23.12 19.75 2pww s ALA 14 CO -0.05 -1.10 1.77 0.35 0.00 0.00 0.00 175.76 176.73 2pww h PHE 15 N 2.71 0.51 -0.73 0.00 3.57 -0.03 -2.59 116.94 120.38 2pww h PHE 15 Ca -0.51 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.15 2pww h PHE 15 Cb 1.25 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 2pww h PHE 15 CO 0.52 0.20 0.48 0.66 -2.23 0.00 0.00 178.31 177.94 2pww h SER 16 N 0.51 0.43 -0.03 0.41 4.64 -1.29 0.11 113.55 118.33 2pww h SER 16 Ca 0.29 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 2pww h SER 16 Cb 0.27 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2pww h SER 16 CO -0.23 0.23 -0.01 0.40 -0.87 0.00 0.00 176.83 176.35 2pww h ILE 17 N 0.46 1.32 -0.30 0.95 2.04 -1.73 -0.48 117.51 119.77 2pww h ILE 17 Ca 0.35 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2pww h ILE 17 Cb 0.72 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2pww h ILE 17 CO -0.11 0.26 0.17 0.58 0.00 0.00 0.00 178.15 179.05 2pww h VAL 18 N -0.33 1.12 0.12 1.67 2.07 -1.37 -1.63 116.25 117.90 2pww h VAL 18 Ca 0.01 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.23 2pww h VAL 18 Cb 0.43 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2pww h VAL 18 CO 0.00 0.12 -0.15 -1.13 0.02 0.00 0.00 177.57 176.43 2pww h ASN 19 N 0.38 -0.41 -0.13 0.57 -1.24 -0.94 0.61 115.58 114.42 2pww h ASN 19 Ca 0.11 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 2pww h ASN 19 Cb 0.04 0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.24 2pww h ASN 19 CO -0.02 -0.22 0.02 -0.74 -1.29 0.00 0.00 177.43 175.17 2pww h HIS 20 N -0.31 0.23 -0.05 0.67 2.76 -1.04 -1.84 115.15 115.56 2pww h HIS 20 Ca 0.01 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 2pww h HIS 20 Cb 0.31 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 2pww h HIS 20 CO -0.15 0.41 -0.07 0.00 -1.30 0.00 0.00 177.93 176.82 2pww h ALA 21 N 0.79 -0.03 -0.26 5.26 0.00 -1.25 -0.68 119.26 123.09 2pww h ALA 21 Ca 0.04 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2pww h ALA 21 Cb 0.31 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2pww h ALA 21 CO 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 179.25 178.67 2pww h ALA 22 N 0.93 0.20 -0.18 0.00 0.00 -0.86 -2.43 119.26 116.93 2pww h ALA 22 Ca 0.05 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2pww h ALA 22 Cb 0.17 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2pww h ALA 22 CO -0.11 -0.44 -0.13 0.87 0.00 0.00 0.00 179.25 179.43 2pww h LYS 23 N 0.04 0.29 0.00 0.00 1.79 -1.15 -1.50 116.57 116.04 2pww h LYS 23 Ca 0.13 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 2pww h LYS 23 Cb 0.18 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2pww h LYS 23 CO -0.24 0.43 -0.13 0.66 -1.08 0.00 0.00 179.45 179.08 2pww h SER 24 N 0.27 0.00 -0.64 0.86 4.64 -0.69 -2.48 113.55 115.51 2pww h SER 24 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2pww h SER 24 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2pww h SER 24 CO 0.02 0.13 0.00 0.18 -0.87 0.00 0.00 176.83 176.30 2pww n LEU 25 N -3.29 4.32 0.00 5.97 4.77 -0.78 -4.95 117.00 123.04 2pww n LEU 25 Ca 0.00 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 2pww n LEU 25 Cb 0.38 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2pww n LEU 25 CO 0.31 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 2pww n GLY 26 N 1.20 0.76 3.78 -0.72 0.00 -0.93 -5.06 105.19 104.22 2pww n GLY 26 Ca 0.24 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2pww n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pww s PHE 27 N -2.00 3.19 0.03 1.61 0.08 -0.64 -4.73 117.98 115.53 2pww s PHE 27 Ca 0.00 1.62 0.05 0.00 0.12 0.00 0.00 56.93 58.72 2pww s PHE 27 Cb 0.00 -3.21 -0.03 0.00 -0.57 0.00 0.00 43.02 39.21 2pww s PHE 27 CO 0.00 -0.86 -0.10 0.42 -0.10 0.00 0.00 175.22 174.58 2pww s ILE 28 N -1.59 3.37 0.38 0.64 1.09 0.24 -4.31 121.20 121.03 2pww s ILE 28 Ca 0.58 -0.98 -0.17 0.00 -1.10 0.00 0.00 60.65 58.98 2pww s ILE 28 Cb -0.25 -2.48 -0.10 0.00 -1.06 0.00 0.00 42.46 38.58 2pww s ILE 28 CO 0.31 0.32 0.84 -1.38 -0.10 0.00 0.00 174.94 174.92 2pww s HIS 29 N -1.02 3.35 0.30 3.97 -3.43 -1.26 0.03 115.29 117.22 2pww s HIS 29 Ca 0.17 1.39 -0.28 0.00 -0.80 0.00 0.00 55.06 55.54 2pww s HIS 29 Cb -0.11 -2.67 -0.09 0.00 -1.43 0.00 0.00 32.58 28.27 2pww s HIS 29 CO 0.08 -0.01 1.01 0.08 -2.00 0.00 0.00 174.74 173.90 2pww s VAL 30 N -2.10 3.84 -1.06 -5.38 1.01 -1.26 -4.86 120.40 110.59 2pww s VAL 30 Ca 0.58 1.70 -0.07 0.00 0.00 0.00 0.00 61.98 64.18 2pww s VAL 30 Cb -0.10 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 2pww s VAL 30 CO 0.16 0.29 2.55 -0.67 0.00 0.00 0.00 175.10 177.43 2pww n ASP 31 N 0.91 6.27 -3.78 3.32 2.03 -1.26 -4.68 116.55 119.37 2pww n ASP 31 Ca 0.00 -2.40 -0.26 0.00 0.52 0.00 0.00 54.79 52.65 2pww n ASP 31 Cb 0.47 -1.27 -0.17 0.00 -0.72 0.00 0.00 41.12 39.44 2pww n ASP 31 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2pww s GLN 32 N 2.66 0.79 -0.27 -0.67 -0.44 -1.26 -5.12 119.66 115.35 2pww s GLN 32 Ca 0.53 -0.27 -0.10 0.00 -2.50 0.00 0.00 55.36 53.01 2pww s GLN 32 Cb 0.15 -1.74 -0.05 0.00 -1.64 0.00 0.00 33.01 29.74 2pww s GLN 32 CO -0.04 -0.50 0.16 -1.58 0.50 0.00 0.00 175.29 173.84 2pww s TRP 33 N 1.85 3.20 -0.18 1.67 0.52 -1.26 -4.94 118.94 119.80 2pww s TRP 33 Ca 0.01 0.01 -0.07 0.00 0.02 0.00 0.00 56.10 56.08 2pww s TRP 33 Cb -0.15 -2.34 0.08 0.00 -1.15 0.00 0.00 33.47 29.91 2pww s TRP 33 CO -0.07 -0.18 0.39 0.34 0.02 0.00 0.00 176.95 177.45 2pww s ASP 34 N 1.65 -0.23 0.36 2.95 -1.08 -1.26 -5.02 116.67 114.04 2pww s ASP 34 Ca 0.07 0.89 0.24 0.00 -0.52 0.00 0.00 52.55 53.23 2pww s ASP 34 Cb -0.16 1.07 1.29 0.00 -1.46 0.00 0.00 42.92 43.67 2pww s ASP 34 CO 0.09 -0.22 1.72 1.88 0.52 0.00 0.00 175.17 179.16 2pww h TYR 35 N 7.88 0.00 0.00 -5.34 0.05 -1.97 -3.19 116.97 114.41 2pww h TYR 35 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.56 2pww h TYR 35 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 2pww h TYR 35 CO 0.29 0.00 -0.80 0.39 -1.05 0.00 0.00 178.16 176.99 2pww n GLU 36 N -2.34 2.59 -3.75 4.88 1.02 -1.26 -0.44 120.64 121.33 2pww n GLU 36 Ca -0.02 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 2pww n GLU 36 Cb 0.05 -1.06 -0.10 0.00 -0.02 0.00 0.00 31.44 30.32 2pww n GLU 36 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2pww s ARG 37 N -2.19 0.49 0.00 3.49 3.52 -1.21 -0.85 118.95 122.21 2pww s ARG 37 Ca 0.01 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 2pww s ARG 37 Cb 0.07 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 2pww s ARG 37 CO 0.41 -0.09 0.00 1.55 -0.81 0.00 0.00 175.30 176.35 2pww n VAL 38 N 2.39 0.00 -3.47 7.11 3.14 -0.40 -4.25 118.33 122.84 2pww n VAL 38 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 2pww n VAL 38 Cb 0.57 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.30 2pww n VAL 38 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2pww s PHE 40 N -0.37 -0.69 -0.06 1.45 0.08 -0.61 -0.71 117.98 117.08 2pww s PHE 40 Ca 0.00 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.29 2pww s PHE 40 Cb 0.00 0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 42.83 2pww s PHE 40 CO 0.00 -0.34 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.24 2pww s ASP 41 N 2.21 4.93 -0.27 1.36 1.01 0.10 -0.61 116.67 125.40 2pww s ASP 41 Ca -0.04 0.03 -0.05 0.00 0.71 0.00 0.00 52.55 53.20 2pww s ASP 41 Cb -0.06 -1.30 0.01 0.00 1.01 0.00 0.00 42.92 42.59 2pww s ASP 41 CO -0.17 0.35 0.02 -0.47 0.21 0.00 0.00 175.17 175.11 2pww s TYR 42 N -0.89 3.10 -0.20 4.23 5.04 0.89 -0.59 117.35 128.92 2pww s TYR 42 Ca 0.14 -1.12 -0.29 0.00 -2.44 0.00 0.00 57.07 53.36 2pww s TYR 42 Cb -0.11 -2.18 0.00 0.00 0.35 0.00 0.00 41.96 40.02 2pww s TYR 42 CO 0.03 -0.61 1.09 0.21 -1.34 0.00 0.00 175.55 174.94 2pww s LYS 43 N 1.45 4.27 -0.29 4.97 2.20 -1.26 -1.16 119.74 129.91 2pww s LYS 43 Ca 0.02 1.44 -0.03 0.00 -0.36 0.00 0.00 55.97 57.04 2pww s LYS 43 Cb -0.17 -3.66 0.04 0.00 -1.51 0.00 0.00 37.83 32.54 2pww s LYS 43 CO -0.00 -0.62 0.01 0.42 -0.36 0.00 0.00 175.35 174.80 2pww s ILE 44 N 3.15 3.16 -0.24 5.43 1.01 0.38 -4.99 121.20 129.10 2pww s ILE 44 Ca 0.47 -1.22 -0.13 0.00 0.00 0.00 0.00 60.65 59.76 2pww s ILE 44 Cb -0.17 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2pww s ILE 44 CO 0.09 -0.04 0.30 -0.69 0.00 0.00 0.00 174.94 174.60 2pww s VAL 45 N 1.31 5.25 0.10 2.92 1.01 -1.26 -0.04 120.40 129.68 2pww s VAL 45 Ca -0.03 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.43 2pww s VAL 45 Cb -0.19 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2pww s VAL 45 CO -0.01 0.25 -0.08 -2.28 0.00 0.00 0.00 175.10 172.98 2pww s HIS 46 N 1.50 0.95 0.29 5.22 5.04 0.44 -5.01 115.29 123.72 2pww s HIS 46 Ca 0.13 -0.79 0.01 0.00 -1.54 0.00 0.00 55.06 52.88 2pww s HIS 46 Cb -0.15 -0.53 0.70 0.00 0.04 0.00 0.00 32.58 32.64 2pww s HIS 46 CO 0.08 -0.08 1.63 1.25 -2.34 0.00 0.00 174.74 175.28 2pww h HIS 47 N 3.25 0.24 0.00 3.88 -0.00 -2.04 0.55 115.15 121.03 2pww h HIS 47 Ca -0.36 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 2pww h HIS 47 Cb 1.18 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 2pww h HIS 47 CO 0.61 -0.27 0.00 0.39 -0.00 0.00 0.00 177.93 178.67 2pww n GLU 48 N -5.29 0.89 -0.76 5.26 1.02 -1.26 -4.99 120.64 115.51 2pww n GLU 48 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2pww n GLU 48 Cb 0.69 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2pww n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pww n GLY 49 N 1.01 0.44 3.52 0.62 0.00 0.18 -5.09 105.19 105.88 2pww n GLY 49 Ca 0.22 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 2pww n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pww s THR 50 N -1.80 3.95 0.26 2.61 2.01 -1.26 -0.42 115.64 120.99 2pww s THR 50 Ca 0.00 -0.34 0.12 0.00 0.31 0.00 0.00 61.69 61.77 2pww s THR 50 Cb 0.00 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 2pww s THR 50 CO 0.00 0.51 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.88 2pww s PHE 51 N 0.21 2.33 -0.06 4.92 0.08 0.94 -1.81 117.98 124.59 2pww s PHE 51 Ca -0.02 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.73 2pww s PHE 51 Cb -0.14 -1.05 0.01 0.00 -0.57 0.00 0.00 43.02 41.28 2pww s PHE 51 CO 0.03 0.66 -0.12 1.52 -0.10 0.00 0.00 175.22 177.20 2pww s TYR 52 N -2.28 1.43 -0.29 0.36 -0.85 -0.33 -0.47 117.35 114.93 2pww s TYR 52 Ca 0.28 -0.51 -0.13 0.00 -0.52 0.00 0.00 57.07 56.18 2pww s TYR 52 Cb -0.06 -1.05 -0.04 0.00 0.38 0.00 0.00 41.96 41.20 2pww s TYR 52 CO 0.14 -0.26 0.28 -1.17 -1.52 0.00 0.00 175.55 173.03 2pww s LEU 53 N 0.61 4.13 -0.12 -3.49 2.96 -0.31 -0.56 118.68 121.90 2pww s LEU 53 Ca -0.13 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2pww s LEU 53 Cb -0.15 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 2pww s LEU 53 CO 0.03 -0.16 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.15 2pww s ARG 54 N 1.90 3.28 -0.32 1.98 3.52 0.59 -0.08 118.95 129.82 2pww s ARG 54 Ca 0.10 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 2pww s ARG 54 Cb -0.16 -2.54 0.09 0.00 -1.56 0.00 0.00 34.95 30.78 2pww s ARG 54 CO 0.11 0.19 0.02 0.08 -0.81 0.00 0.00 175.30 174.89 2pww s VAL 55 N 0.38 2.22 0.28 7.11 1.01 0.22 -1.38 120.40 130.24 2pww s VAL 55 Ca -0.13 -2.19 -0.16 0.00 0.00 0.00 0.00 61.98 59.51 2pww s VAL 55 Cb -0.16 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 2pww s VAL 55 CO 0.06 -0.49 0.70 -2.16 0.00 0.00 0.00 175.10 173.21 2pww s PRO 56 N 0.96 4.04 0.04 2.72 0.04 -1.26 -1.57 135.00 139.97 2pww s PRO 56 Ca 0.07 0.67 0.02 0.00 0.04 0.00 0.00 61.00 61.80 2pww s PRO 56 Cb -0.19 -2.59 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 2pww s PRO 56 CO -0.08 0.25 -0.08 0.00 0.04 0.00 0.00 177.00 177.13 2pww s ALA 57 N -1.83 0.61 -0.02 8.56 0.00 0.12 -4.53 121.76 124.67 2pww s ALA 57 Ca 0.50 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.76 2pww s ALA 57 Cb -0.12 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2pww s ALA 57 CO 0.19 -0.00 -0.18 0.71 0.00 0.00 0.00 175.76 176.48 2pww s TYR 58 N -1.30 1.60 0.19 0.00 1.51 0.40 -1.28 117.35 118.47 2pww s TYR 58 Ca -0.09 -0.32 -0.31 0.00 -1.01 0.00 0.00 57.07 55.34 2pww s TYR 58 Cb -0.10 -1.03 -0.10 0.00 -0.11 0.00 0.00 41.96 40.62 2pww s TYR 58 CO 0.00 -0.04 1.54 0.00 -1.11 0.00 0.00 175.55 175.95 2pww s ALA 59 N -0.37 3.74 -0.08 3.71 0.00 -0.03 -0.08 121.76 128.64 2pww s ALA 59 Ca 0.06 1.38 -0.07 0.00 0.00 0.00 0.00 51.96 53.32 2pww s ALA 59 Cb -0.07 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2pww s ALA 59 CO -0.00 -0.79 -0.17 0.28 0.00 0.00 0.00 175.76 175.08 2pww n VAL 60 N 3.48 1.01 -3.77 0.00 0.31 0.48 -4.84 118.33 115.01 2pww n VAL 60 Ca 0.12 0.03 -0.26 0.00 -0.01 0.00 0.00 64.34 64.22 2pww n VAL 60 Cb 0.39 -1.80 -0.17 0.00 -0.91 0.00 0.00 33.84 31.35 2pww n VAL 60 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2pww s LYS 61 N -2.32 0.76 0.00 5.55 1.02 -0.98 -4.99 119.74 118.78 2pww s LYS 61 Ca -0.16 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.56 2pww s LYS 61 Cb 0.05 -1.73 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 2pww s LYS 61 CO 0.22 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 2pww n GLY 62 N 5.06 1.27 3.88 -3.33 0.00 -1.26 -1.74 105.19 109.07 2pww n GLY 62 Ca -0.09 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 2pww n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pww s GLU 63 N -2.35 3.58 0.31 1.61 1.03 -1.26 -4.82 118.70 116.80 2pww s GLU 63 Ca 0.00 -0.06 -0.28 0.00 0.03 0.00 0.00 54.97 54.65 2pww s GLU 63 Cb 0.00 -3.09 -0.09 0.00 -0.80 0.00 0.00 34.13 30.14 2pww s GLU 63 CO 0.00 0.66 1.11 0.42 -1.33 0.00 0.00 175.26 176.12 2pww s ILE 64 N -1.27 3.44 -0.55 1.83 1.01 0.42 -1.84 121.20 124.24 2pww s ILE 64 Ca 0.26 1.39 0.01 0.00 0.00 0.00 0.00 60.65 62.31 2pww s ILE 64 Cb -0.13 -3.85 0.45 0.00 0.01 0.00 0.00 42.46 38.94 2pww s ILE 64 CO 0.15 0.28 1.78 -0.81 0.00 0.00 0.00 174.94 176.34 2pww n PRO 65 N 0.90 2.97 -1.90 2.79 -0.04 -1.26 -4.27 135.00 134.19 2pww n PRO 65 Ca 0.00 -3.55 -0.42 0.00 -0.04 0.00 0.00 63.50 59.49 2pww n PRO 65 Cb 0.45 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 2pww n PRO 65 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2pww s ARG 66 N -3.76 4.19 0.31 0.54 3.52 -0.76 -4.88 118.95 118.11 2pww s ARG 66 Ca 0.61 2.38 0.07 0.00 -0.13 0.00 0.00 55.73 58.66 2pww s ARG 66 Cb 0.48 -3.42 0.79 0.00 -1.56 0.00 0.00 34.95 31.24 2pww s ARG 66 CO 0.01 -0.70 1.76 -1.35 -0.81 0.00 0.00 175.30 174.20 2pww h PRO 67 N 7.76 0.67 -0.01 5.12 0.11 -1.95 -1.75 132.00 141.96 2pww h PRO 67 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pww h PRO 67 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pww h PRO 67 CO 0.93 0.44 -0.15 0.43 -0.21 0.00 0.00 178.00 179.44 2pww n SER 68 N -4.82 0.89 -4.65 -2.05 7.64 -1.26 -0.95 113.62 108.42 2pww n SER 68 Ca 0.25 -0.90 -0.47 0.00 1.01 0.00 0.00 58.87 58.76 2pww n SER 68 Cb 0.64 0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.84 2pww n SER 68 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2pww n THR 69 N -0.61 0.51 -3.05 0.44 -1.04 -0.66 -4.69 114.28 105.17 2pww n THR 69 Ca 0.15 -0.13 -0.40 0.00 -2.04 0.00 0.00 64.05 61.63 2pww n THR 69 Cb 0.32 -1.31 -0.05 0.00 -1.82 0.00 0.00 70.33 67.47 2pww n THR 69 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2pww s ILE 70 N 0.30 5.03 0.21 12.58 1.01 -0.71 0.21 121.20 139.83 2pww s ILE 70 Ca 0.74 1.40 0.11 0.00 0.00 0.00 0.00 60.65 62.91 2pww s ILE 70 Cb -0.73 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 37.67 2pww s ILE 70 CO 0.46 0.21 -0.23 0.68 0.00 0.00 0.00 174.94 176.06 2pww s VAL 71 N 1.09 2.33 -0.29 2.92 -7.23 0.68 -0.39 120.40 119.52 2pww s VAL 71 Ca 0.36 -2.10 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 2pww s VAL 71 Cb -0.17 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.63 2pww s VAL 71 CO 0.16 -0.20 0.08 -1.58 -0.31 0.00 0.00 175.10 173.26 2pww s GLN 72 N -2.86 3.18 0.98 4.82 2.00 0.88 -1.85 119.66 126.81 2pww s GLN 72 Ca 0.22 -0.80 -0.16 0.00 -2.00 0.00 0.00 55.36 52.63 2pww s GLN 72 Cb -0.07 -3.37 0.21 0.00 0.80 0.00 0.00 33.01 30.57 2pww s GLN 72 CO 0.11 -0.41 1.31 0.42 -0.50 0.00 0.00 175.29 176.22 2pww s ILE 73 N 1.52 1.97 -0.27 -2.34 1.01 -1.26 -0.45 121.20 121.38 2pww s ILE 73 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.49 2pww s ILE 73 Cb -0.17 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 2pww s ILE 73 CO 0.03 0.00 0.60 -0.89 0.00 0.00 0.00 174.94 174.68 2pww s THR 75 N -3.83 4.99 0.68 2.92 2.01 -1.26 -4.17 115.64 116.98 2pww s THR 75 Ca 0.74 0.99 -0.17 0.00 0.31 0.00 0.00 61.69 63.56 2pww s THR 75 Cb -0.04 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.54 2pww s THR 75 CO 0.53 -0.01 1.17 -2.65 -0.69 0.00 0.00 174.62 172.98 2pww n PRO 76 N 5.72 0.85 -4.28 4.92 -0.02 -1.26 -4.80 135.00 136.13 2pww n PRO 76 Ca -0.02 0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 61.61 2pww n PRO 76 Cb 0.49 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 2pww n PRO 76 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pww s ILE 77 N -1.57 0.68 -0.20 4.25 1.01 -0.48 -1.55 121.20 123.34 2pww s ILE 77 Ca 0.79 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 2pww s ILE 77 Cb -0.37 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 2pww s ILE 77 CO 0.44 0.25 0.15 -0.22 0.00 0.00 0.00 174.94 175.56 2pww s LEU 78 N 0.74 4.21 0.17 2.97 2.96 0.99 -0.30 118.68 130.42 2pww s LEU 78 Ca -0.11 0.25 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 2pww s LEU 78 Cb -0.14 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 2pww s LEU 78 CO 0.01 0.16 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.25 2pww s GLY 79 N 0.44 1.24 -0.08 7.98 0.00 0.27 -1.31 107.32 115.85 2pww s GLY 79 Ca 0.09 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.25 2pww s GLY 79 CO -0.01 -1.67 -0.11 1.25 0.00 0.00 0.00 173.10 172.57 2pww s LYS 80 N -3.71 2.88 0.05 2.90 2.20 -1.26 -1.19 119.74 121.61 2pww s LYS 80 Ca 0.20 -0.63 -0.27 0.00 -0.36 0.00 0.00 55.97 54.91 2pww s LYS 80 Cb 0.01 -2.55 -0.05 0.00 -1.51 0.00 0.00 37.83 33.73 2pww s LYS 80 CO 0.03 0.51 0.85 0.71 -0.36 0.00 0.00 175.35 177.09 2pww s TYR 81 N -0.42 3.73 -0.72 4.03 2.02 -0.75 -4.97 117.35 120.28 2pww s TYR 81 Ca 0.05 1.58 0.03 0.00 -0.37 0.00 0.00 57.07 58.36 2pww s TYR 81 Cb -0.12 -2.93 0.33 0.00 -0.40 0.00 0.00 41.96 38.84 2pww s TYR 81 CO 0.02 0.19 1.20 0.66 -1.57 0.00 0.00 175.55 176.05 2pww n TYR 82 N 3.07 3.66 -2.00 2.71 4.01 -1.26 -4.71 117.16 122.64 2pww n TYR 82 Ca 0.00 -3.58 -0.36 0.00 -0.16 0.00 0.00 57.90 53.80 2pww n TYR 82 Cb 0.50 -0.71 0.03 0.00 -0.31 0.00 0.00 39.34 38.86 2pww n TYR 82 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2pww s TYR 83 N -3.67 2.39 -0.93 -0.72 2.02 -1.26 0.21 117.35 115.38 2pww s TYR 83 Ca 0.46 1.50 0.26 0.00 -0.37 0.00 0.00 57.07 58.92 2pww s TYR 83 Cb 0.25 -3.51 0.67 0.00 -0.40 0.00 0.00 41.96 38.96 2pww s TYR 83 CO -0.13 -2.27 1.54 -0.35 -1.57 0.00 0.00 175.55 172.77 2pww n PRO 84 N -1.52 0.06 0.00 -1.71 -0.04 -1.26 -4.76 135.00 125.77 2pww n PRO 84 Ca 0.13 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2pww n PRO 84 Cb 0.49 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2pww n PRO 84 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2pww n HIS 85 N -1.62 0.00 -0.43 0.54 1.44 -1.12 -5.01 115.22 109.01 2pww n HIS 85 Ca 0.06 -0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2pww n HIS 85 Cb 0.36 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.46 2pww n HIS 85 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2pww n GLY 86 N -0.07 1.33 3.68 -1.39 0.00 0.13 -5.02 105.19 103.85 2pww n GLY 86 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2pww n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pww s VAL 87 N -3.13 4.63 -0.27 1.61 1.01 -1.25 -4.82 120.40 118.19 2pww s VAL 87 Ca 0.00 1.93 -0.16 0.00 0.00 0.00 0.00 61.98 63.74 2pww s VAL 87 Cb 0.00 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2pww s VAL 87 CO 0.00 -0.04 0.43 -1.61 0.00 0.00 0.00 175.10 173.88 2pww s GLU 88 N 2.37 4.04 -0.26 2.72 2.02 -1.26 -4.93 118.70 123.39 2pww s GLU 88 Ca 0.49 0.16 -0.03 0.00 0.02 0.00 0.00 54.97 55.61 2pww s GLU 88 Cb -0.19 -3.65 -0.15 0.00 0.10 0.00 0.00 34.13 30.24 2pww s GLU 88 CO 0.16 -0.31 -0.26 0.66 0.02 0.00 0.00 175.26 175.53 2pww n TYR 89 N 5.41 0.00 -1.68 1.61 4.01 -1.26 -4.45 117.16 120.81 2pww n TYR 89 Ca -0.07 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.38 2pww n TYR 89 Cb 0.50 -0.97 0.05 0.00 -0.31 0.00 0.00 39.34 38.61 2pww n TYR 89 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2pww n GLU 90 N -3.55 3.15 0.00 -0.72 0.28 -1.26 -5.08 120.64 113.46 2pww n GLU 90 Ca -0.47 -3.73 0.00 0.00 -0.16 0.00 0.00 57.16 52.79 2pww n GLU 90 Cb 0.94 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.53 2pww n GLU 90 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2pww n GLY 91 N -0.82 2.14 3.18 -1.84 0.00 -1.26 -4.74 105.19 101.85 2pww n GLY 91 Ca 0.53 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 2pww n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pww s GLU 92 N 0.00 0.30 0.15 1.61 -1.05 -1.26 -4.95 118.70 113.50 2pww s GLU 92 Ca 0.00 0.77 0.07 0.00 -0.15 0.00 0.00 54.97 55.66 2pww s GLU 92 Cb 0.00 0.02 -0.04 0.00 -0.44 0.00 0.00 34.13 33.67 2pww s GLU 92 CO 0.00 -0.20 -0.16 0.99 0.95 0.00 0.00 175.26 176.84 2pww s THR 93 N 1.76 1.59 -0.18 1.83 2.01 -1.26 -5.13 115.64 116.26 2pww s THR 93 Ca -0.06 -1.88 0.01 0.00 0.31 0.00 0.00 61.69 60.07 2pww s THR 93 Cb -0.10 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.69 2pww s THR 93 CO -0.11 -0.40 -0.20 -0.36 -0.69 0.00 0.00 174.62 172.86 2pww s PHE 94 N -2.23 2.78 0.45 4.92 0.08 -1.26 -5.07 117.98 117.64 2pww s PHE 94 Ca 0.14 -1.62 -0.24 0.00 0.12 0.00 0.00 56.93 55.33 2pww s PHE 94 Cb -0.05 -1.92 -0.10 0.00 -0.57 0.00 0.00 43.02 40.39 2pww s PHE 94 CO 0.05 -0.80 1.05 -2.30 -0.10 0.00 0.00 175.22 173.12 2pww n PRO 95 N 4.60 1.39 -0.33 0.24 -0.02 -1.26 -4.80 135.00 134.82 2pww n PRO 95 Ca -0.21 0.50 0.03 0.00 -2.02 0.00 0.00 63.50 61.81 2pww n PRO 95 Cb 0.50 -2.12 0.21 0.00 -0.02 0.00 0.00 33.50 32.07 2pww n PRO 95 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2pww h GLN 96 N 1.48 1.07 -0.86 -0.52 5.75 -1.99 -2.05 115.11 117.99 2pww h GLN 96 Ca -0.46 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.01 2pww h GLN 96 Cb 1.33 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 29.59 2pww h GLN 96 CO 0.56 0.71 0.57 0.00 -2.65 0.00 0.00 178.83 178.02 2pww h ALA 97 N 1.48 1.46 -0.05 3.38 0.00 -1.99 0.19 119.26 123.74 2pww h ALA 97 Ca 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2pww h ALA 97 Cb 0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2pww h ALA 97 CO -0.15 0.45 -0.02 0.28 0.00 0.00 0.00 179.25 179.81 2pww h VAL 98 N 1.07 1.32 -0.78 0.00 2.07 -1.75 -1.57 116.25 116.61 2pww h VAL 98 Ca 0.34 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.94 2pww h VAL 98 Cb 0.03 1.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 2pww h VAL 98 CO -0.10 0.27 0.45 0.40 0.02 0.00 0.00 177.57 178.61 2pww h ILE 99 N -0.27 0.97 -0.22 4.57 2.04 -0.89 -0.99 117.51 122.71 2pww h ILE 99 Ca 0.01 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2pww h ILE 99 Cb 0.44 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2pww h ILE 99 CO 0.01 0.15 0.08 0.44 0.00 0.00 0.00 178.15 178.83 2pww h ASP 100 N 0.81 0.31 -0.71 1.72 3.32 -0.61 0.26 116.42 121.50 2pww h ASP 100 Ca 0.35 -0.18 0.14 0.00 0.02 0.00 0.00 57.03 57.37 2pww h ASP 100 Cb 0.24 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 2pww h ASP 100 CO -0.20 0.40 0.21 0.50 -1.72 0.00 0.00 179.24 178.43 2pww h LYS 101 N 0.19 0.32 -0.06 3.56 1.63 -0.98 -1.06 116.57 120.17 2pww h LYS 101 Ca 0.07 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2pww h LYS 101 Cb 0.19 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 2pww h LYS 101 CO -0.00 0.21 0.02 0.00 -3.45 0.00 0.00 179.45 176.22 2pww h ASN 103 N -0.11 0.63 -0.32 0.00 2.35 -0.67 -0.72 115.58 116.74 2pww h ASN 103 Ca 0.02 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2pww h ASN 103 Cb 0.23 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2pww h ASN 103 CO -0.00 0.42 0.13 0.78 -1.65 0.00 0.00 177.43 177.11 2pww h ASN 104 N 0.76 0.44 -0.27 5.81 2.35 -1.13 -1.19 115.58 122.36 2pww h ASN 104 Ca 0.30 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2pww h ASN 104 Cb 0.13 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2pww h ASN 104 CO -0.15 0.49 0.06 0.50 -1.65 0.00 0.00 177.43 176.68 2pww h LYS 105 N 0.37 0.43 -0.30 0.81 1.63 -1.01 -2.32 116.57 116.19 2pww h LYS 105 Ca 0.11 -0.11 -0.06 0.00 -0.85 0.00 0.00 60.65 59.75 2pww h LYS 105 Cb 0.18 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 2pww h LYS 105 CO -0.01 0.53 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.40 2pww h LEU 106 N 0.27 0.45 -0.44 5.20 3.38 -1.12 0.16 115.31 123.20 2pww h LEU 106 Ca 0.08 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2pww h LEU 106 Cb 0.29 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2pww h LEU 106 CO 0.00 0.56 0.13 0.00 0.09 0.00 0.00 178.44 179.22 2pww h ALA 107 N 1.50 0.58 -0.27 1.53 0.00 -1.00 -0.29 119.26 121.31 2pww h ALA 107 Ca 0.09 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2pww h ALA 107 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2pww h ALA 107 CO 0.02 0.24 -0.58 1.25 0.00 0.00 0.00 179.25 180.17 2pww h LEU 108 N 0.57 0.97 -0.20 0.00 5.85 -1.01 -1.91 115.31 119.59 2pww h LEU 108 Ca 0.14 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.34 2pww h LEU 108 Cb 0.28 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2pww h LEU 108 CO -0.00 1.34 0.04 0.25 -0.34 0.00 0.00 178.44 179.73 2pww h LEU 109 N 0.64 0.02 -1.15 2.25 5.85 -0.54 0.28 115.31 122.66 2pww h LEU 109 Ca 0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2pww h LEU 109 Cb 1.20 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2pww h LEU 109 CO 0.13 0.04 0.58 0.00 -0.34 0.00 0.00 178.44 178.85 2pww h ALA 110 N 1.14 1.40 -0.01 1.25 0.00 -0.94 -0.76 119.26 121.34 2pww h ALA 110 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pww h ALA 110 Cb 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2pww h ALA 110 CO -0.11 0.55 -0.00 0.87 0.00 0.00 0.00 179.25 180.55 2pww h LYS 111 N 1.16 0.02 -0.00 0.00 6.56 -1.03 -2.85 116.57 120.44 2pww h LYS 111 Ca 0.33 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.91 2pww h LYS 111 Cb -0.09 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.57 2pww h LYS 111 CO -0.08 0.40 0.00 1.15 -2.06 0.00 0.00 179.45 178.86 2pww h THR 112 N -0.35 1.06 -0.57 -0.16 2.02 -0.25 -2.55 112.91 112.11 2pww h THR 112 Ca 0.00 -0.18 0.10 0.00 0.77 0.00 0.00 66.41 67.10 2pww h THR 112 Cb 0.39 1.18 -0.08 0.00 -1.74 0.00 0.00 68.15 67.90 2pww h THR 112 CO 0.00 0.05 0.14 0.40 0.37 0.00 0.00 175.52 176.48 2pww h ILE 113 N -0.07 0.69 0.00 3.11 2.04 -1.27 -3.49 117.51 118.51 2pww h ILE 113 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2pww h ILE 113 Cb 0.08 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2pww h ILE 113 CO -0.00 0.05 0.00 1.17 0.00 0.00 0.00 178.15 179.37