#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwu s LYS 2 N 0.00 -0.02 0.01 0.03 -0.14 0.07 -1.38 119.74 118.31 1hwu s LYS 2 Ca 0.00 0.19 -0.30 0.00 -1.36 0.00 0.00 55.97 54.49 1hwu s LYS 2 Cb 0.00 -1.07 -0.04 0.00 -1.68 0.00 0.00 37.83 35.04 1hwu s LYS 2 CO 0.00 -0.47 1.17 -1.14 -0.76 0.00 0.00 175.35 174.14 1hwu s GLN 3 N 2.16 4.42 -0.19 1.68 0.74 0.04 -2.50 119.66 126.01 1hwu s GLN 3 Ca 0.04 1.68 -0.02 0.00 0.05 0.00 0.00 55.36 57.11 1hwu s GLN 3 Cb -0.14 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.53 1hwu s GLN 3 CO -0.06 -0.29 -0.09 0.08 -0.55 0.00 0.00 175.29 174.38 1hwu s VAL 4 N 1.46 3.14 -0.06 1.34 1.01 0.76 -1.63 120.40 126.41 1hwu s VAL 4 Ca 0.57 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1hwu s VAL 4 Cb -0.27 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1hwu s VAL 4 CO 0.26 0.47 -0.24 -0.89 0.00 0.00 0.00 175.10 174.70 1hwu s THR 5 N 1.09 1.98 0.02 3.92 2.01 -0.33 -1.84 115.64 122.49 1hwu s THR 5 Ca 0.01 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.03 1hwu s THR 5 Cb -0.15 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1hwu s THR 5 CO -0.02 0.55 -0.14 0.00 -0.69 0.00 0.00 174.62 174.32 1hwu s ALA 6 N -0.05 1.16 -0.22 7.40 0.00 -0.19 -0.53 121.76 129.33 1hwu s ALA 6 Ca -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1hwu s ALA 6 Cb -0.14 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1hwu s ALA 6 CO 0.04 0.25 -0.11 0.42 0.00 0.00 0.00 175.76 176.36 1hwu s ILE 7 N -0.61 2.60 0.28 0.00 -1.09 -0.09 -1.00 121.20 121.28 1hwu s ILE 7 Ca 0.03 -0.98 0.02 0.00 -2.23 0.00 0.00 60.65 57.50 1hwu s ILE 7 Cb -0.07 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.52 1hwu s ILE 7 CO 0.00 0.32 0.15 0.27 -1.23 0.00 0.00 174.94 174.46 1hwu s ILE 8 N 1.31 0.29 0.27 2.92 -4.36 -0.39 -2.69 121.20 118.56 1hwu s ILE 8 Ca 0.02 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.12 1hwu s ILE 8 Cb -0.15 -2.54 -0.09 0.00 1.25 0.00 0.00 42.46 40.93 1hwu s ILE 8 CO -0.07 0.00 1.00 -0.54 0.24 0.00 0.00 174.94 175.56 1hwu s LYS 9 N -3.91 4.71 0.24 0.37 1.02 -1.26 -0.87 119.74 120.05 1hwu s LYS 9 Ca 0.37 1.57 -0.05 0.00 0.02 0.00 0.00 55.97 57.87 1hwu s LYS 9 Cb 0.06 -3.14 0.46 0.00 -0.52 0.00 0.00 37.83 34.69 1hwu s LYS 9 CO 0.16 0.35 1.67 -1.35 -0.92 0.00 0.00 175.35 175.27 1hwu h PRO 10 N 3.81 0.23 0.00 -1.68 0.11 -1.90 -0.48 132.00 132.09 1hwu h PRO 10 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1hwu h PRO 10 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1hwu h PRO 10 CO 0.67 0.15 0.00 0.27 -0.21 0.00 0.00 178.00 178.88 1hwu h PHE 11 N 0.23 0.00 -0.00 0.65 -5.15 -1.99 -2.72 116.94 107.96 1hwu h PHE 11 Ca 0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.19 1hwu h PHE 11 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.89 1hwu h PHE 11 CO -0.29 0.00 -0.07 1.63 -2.00 0.00 0.00 178.31 177.58 1hwu n LYS 12 N -2.82 0.88 -0.18 6.09 4.76 -0.19 -4.30 118.16 122.40 1hwu n LYS 12 Ca 0.00 -0.28 -0.10 0.00 -2.87 0.00 0.00 58.31 55.06 1hwu n LYS 12 Cb 0.22 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.87 1hwu n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1hwu h LEU 13 N 0.69 -1.56 -1.17 -0.35 6.46 -1.58 -1.68 115.31 116.12 1hwu h LEU 13 Ca 0.00 0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1hwu h LEU 13 Cb 0.30 0.69 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 1hwu h LEU 13 CO 0.00 -0.36 0.39 -0.78 -0.62 0.00 0.00 178.44 177.08 1hwu h ASP 14 N -0.28 0.86 -0.42 1.25 1.82 -1.84 -1.01 116.42 116.80 1hwu h ASP 14 Ca 0.15 -0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.63 1hwu h ASP 14 Cb 0.57 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 1hwu h ASP 14 CO -0.65 0.69 -0.09 -0.08 -1.61 0.00 0.00 179.24 177.50 1hwu h GLU 15 N 0.98 0.86 -0.59 0.28 4.81 -1.70 -2.13 114.58 117.09 1hwu h GLU 15 Ca 0.25 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1hwu h GLU 15 Cb 0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1hwu h GLU 15 CO -0.04 0.92 -0.02 0.28 -0.73 0.00 0.00 179.01 179.42 1hwu h VAL 16 N 0.78 1.27 -0.42 0.32 2.07 -0.90 -1.49 116.25 117.88 1hwu h VAL 16 Ca 0.13 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1hwu h VAL 16 Cb 0.60 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1hwu h VAL 16 CO 0.04 0.42 0.26 -0.09 0.02 0.00 0.00 177.57 178.22 1hwu h ARG 17 N 0.95 0.51 -0.44 1.57 1.12 -0.68 -1.92 114.38 115.49 1hwu h ARG 17 Ca 0.17 -0.03 -0.11 0.00 -1.11 0.00 0.00 59.98 58.89 1hwu h ARG 17 Cb 0.58 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.41 1hwu h ARG 17 CO 0.03 0.34 -0.15 1.49 -3.11 0.00 0.00 179.97 178.57 1hwu h GLU 18 N 0.53 0.88 -0.24 0.20 4.57 -1.29 0.73 114.58 119.96 1hwu h GLU 18 Ca 0.16 -0.36 -0.05 0.00 -1.18 0.00 0.00 59.36 57.93 1hwu h GLU 18 Cb -0.02 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1hwu h GLU 18 CO -0.06 1.01 -0.07 1.03 -1.18 0.00 0.00 179.01 179.73 1hwu h SER 19 N 0.71 0.36 0.47 1.04 0.87 -1.11 -0.12 113.55 115.76 1hwu h SER 19 Ca 0.11 -0.07 -0.30 0.00 -1.23 0.00 0.00 61.79 60.29 1hwu h SER 19 Cb 0.71 -0.09 0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1hwu h SER 19 CO 0.05 0.47 -1.36 -0.07 -0.53 0.00 0.00 176.83 175.40 1hwu h LEU 20 N 0.36 0.61 -1.49 2.23 3.38 -1.24 -3.24 115.31 115.91 1hwu h LEU 20 Ca 0.08 -0.66 0.03 0.00 0.09 0.00 0.00 57.88 57.42 1hwu h LEU 20 Cb 0.36 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1hwu h LEU 20 CO 0.02 1.51 0.37 0.00 0.09 0.00 0.00 178.44 180.43 1hwu h ALA 21 N 0.39 1.69 -0.77 1.53 0.00 -0.31 0.12 119.26 121.91 1hwu h ALA 21 Ca -0.19 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.81 1hwu h ALA 21 Cb 2.06 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 1hwu h ALA 21 CO 0.23 0.26 0.51 0.93 0.00 0.00 0.00 179.25 181.18 1hwu h GLU 22 N 0.67 0.55 -0.41 0.00 5.08 -1.06 0.20 114.58 119.62 1hwu h GLU 22 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1hwu h GLU 22 Cb 0.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1hwu h GLU 22 CO -0.06 0.36 0.00 0.28 -1.00 0.00 0.00 179.01 178.60 1hwu n VAL 23 N -4.50 0.53 -0.74 3.13 0.31 -0.60 -4.94 118.33 111.53 1hwu n VAL 23 Ca 0.14 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1hwu n VAL 23 Cb 0.43 0.71 0.00 0.00 -0.91 0.00 0.00 33.84 34.08 1hwu n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hwu n GLY 24 N 1.43 0.60 3.48 2.92 0.00 0.72 -5.03 105.19 109.31 1hwu n GLY 24 Ca 0.19 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1hwu n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hwu s VAL 25 N -2.00 5.01 0.00 1.61 1.01 -0.07 -4.93 120.40 121.03 1hwu s VAL 25 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1hwu s VAL 25 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1hwu s VAL 25 CO 0.00 -0.04 0.00 0.35 0.00 0.00 0.00 175.10 175.41 1hwu n THR 26 N 5.06 0.00 -1.83 3.92 -2.24 -1.26 -3.38 114.28 114.55 1hwu n THR 26 Ca -0.13 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1hwu n THR 26 Cb 0.49 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1hwu n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwu n GLY 27 N 1.33 4.46 3.77 3.38 0.00 -1.26 -4.96 105.19 111.92 1hwu n GLY 27 Ca 0.00 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 1hwu n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hwu s LEU 28 N 1.84 4.60 -0.17 0.99 1.43 -1.26 -4.69 118.68 121.41 1hwu s LEU 28 Ca 0.46 1.72 -0.01 0.00 -1.03 0.00 0.00 54.13 55.27 1hwu s LEU 28 Cb 0.13 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 1hwu s LEU 28 CO -0.07 0.19 -0.11 -0.89 0.23 0.00 0.00 176.35 175.69 1hwu s THR 29 N -1.18 2.96 -0.14 5.49 2.01 -0.77 -4.97 115.64 119.06 1hwu s THR 29 Ca 0.37 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1hwu s THR 29 Cb -0.24 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.98 1hwu s THR 29 CO 0.27 0.49 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.86 1hwu s VAL 30 N 0.98 2.84 -0.00 3.82 1.01 -1.26 -0.77 120.40 127.01 1hwu s VAL 30 Ca -0.01 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1hwu s VAL 30 Cb -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1hwu s VAL 30 CO -0.01 0.52 -0.20 -0.89 0.00 0.00 0.00 175.10 174.51 1hwu s THR 31 N 0.55 1.62 -0.05 3.92 2.01 0.11 -4.99 115.64 118.80 1hwu s THR 31 Ca -0.09 -0.94 -0.25 0.00 0.31 0.00 0.00 61.69 60.72 1hwu s THR 31 Cb -0.16 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1hwu s THR 31 CO 0.04 0.41 0.77 -1.61 -0.69 0.00 0.00 174.62 173.53 1hwu s GLU 32 N -0.62 4.46 0.12 4.92 2.02 -1.26 -0.76 118.70 127.58 1hwu s GLU 32 Ca 0.08 1.01 -0.01 0.00 0.02 0.00 0.00 54.97 56.07 1hwu s GLU 32 Cb -0.08 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1hwu s GLU 32 CO -0.00 0.03 0.04 0.14 0.02 0.00 0.00 175.26 175.48 1hwu s VAL 33 N 0.88 0.14 -0.05 2.63 -7.23 -0.55 -4.92 120.40 111.30 1hwu s VAL 33 Ca 0.41 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1hwu s VAL 33 Cb -0.18 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1hwu s VAL 33 CO 0.20 -0.57 -0.21 -0.54 -0.31 0.00 0.00 175.10 173.67 1hwu s LYS 34 N -4.02 2.48 -0.21 4.82 1.02 -1.26 -1.27 119.74 121.30 1hwu s LYS 34 Ca 0.21 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.39 1hwu s LYS 34 Cb 0.08 -2.24 -0.14 0.00 -0.52 0.00 0.00 37.83 35.01 1hwu s LYS 34 CO -0.01 0.50 -0.18 0.41 -0.92 0.00 0.00 175.35 175.15 1hwu n GLY 35 N 2.64 -0.29 3.74 -3.33 0.00 -1.26 -4.94 105.19 101.74 1hwu n GLY 35 Ca -0.17 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1hwu n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hwu s PRO 57 N -2.41 4.63 0.30 1.61 0.05 -1.26 -5.26 135.00 132.66 1hwu s PRO 57 Ca -0.28 1.66 0.03 0.00 0.05 0.00 0.00 61.00 62.46 1hwu s PRO 57 Cb 0.07 -3.29 -0.05 0.00 0.05 0.00 0.00 34.50 31.28 1hwu s PRO 57 CO 0.48 0.14 0.10 0.15 0.05 0.00 0.00 177.00 177.92 1hwu s LYS 58 N -0.44 1.58 -0.08 4.56 -0.14 -0.40 -4.65 119.74 120.17 1hwu s LYS 58 Ca 0.48 -1.88 0.05 0.00 -1.36 0.00 0.00 55.97 53.26 1hwu s LYS 58 Cb -0.28 -0.45 -0.00 0.00 -1.68 0.00 0.00 37.83 35.41 1hwu s LYS 58 CO 0.34 -0.31 -0.24 0.08 -0.76 0.00 0.00 175.35 174.46 1hwu s VAL 59 N -3.53 2.00 -0.20 3.17 1.01 -0.05 -1.48 120.40 121.32 1hwu s VAL 59 Ca 0.35 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1hwu s VAL 59 Cb 0.07 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1hwu s VAL 59 CO 0.15 0.55 0.17 -0.75 0.00 0.00 0.00 175.10 175.22 1hwu s LYS 60 N 0.10 4.19 -0.09 2.72 2.20 0.06 -1.26 119.74 127.66 1hwu s LYS 60 Ca -0.11 -0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.37 1hwu s LYS 60 Cb -0.16 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1hwu s LYS 60 CO 0.06 0.26 -0.17 0.42 -0.36 0.00 0.00 175.35 175.56 1hwu s ILE 61 N 0.47 2.72 0.07 5.43 1.01 -0.17 -0.71 121.20 130.01 1hwu s ILE 61 Ca 0.10 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 60.02 1hwu s ILE 61 Cb -0.12 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1hwu s ILE 61 CO -0.00 0.56 -0.23 -1.61 0.00 0.00 0.00 174.94 173.65 1hwu s GLU 62 N -0.05 1.47 -0.06 2.79 2.02 0.05 -1.02 118.70 123.90 1hwu s GLU 62 Ca -0.04 -1.09 -0.13 0.00 0.02 0.00 0.00 54.97 53.73 1hwu s GLU 62 Cb -0.14 -1.69 0.03 0.00 0.10 0.00 0.00 34.13 32.42 1hwu s GLU 62 CO 0.04 0.42 0.31 0.14 0.02 0.00 0.00 175.26 176.20 1hwu s VAL 63 N -0.90 0.03 -0.34 2.63 -7.23 -0.77 -1.84 120.40 112.00 1hwu s VAL 63 Ca 0.10 -0.29 -0.08 0.00 -1.81 0.00 0.00 61.98 59.90 1hwu s VAL 63 Cb -0.10 -0.55 0.03 0.00 0.56 0.00 0.00 36.38 36.33 1hwu s VAL 63 CO 0.03 -0.16 0.12 -0.69 -0.31 0.00 0.00 175.10 174.09 1hwu s VAL 64 N -0.71 4.01 0.49 1.32 1.01 -1.26 -0.17 120.40 125.09 1hwu s VAL 64 Ca -0.08 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1hwu s VAL 64 Cb -0.04 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1hwu s VAL 64 CO 0.03 -0.13 0.02 0.68 0.00 0.00 0.00 175.10 175.69 1hwu s VAL 65 N 1.46 1.34 0.44 2.92 -7.23 -1.04 -4.93 120.40 113.36 1hwu s VAL 65 Ca 0.00 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.00 1hwu s VAL 65 Cb -0.19 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.33 1hwu s VAL 65 CO 0.04 0.00 0.93 -0.62 -0.31 0.00 0.00 175.10 175.13 1hwu s ASP 66 N -3.86 6.82 0.46 4.85 -1.08 -1.26 -0.75 116.67 121.85 1hwu s ASP 66 Ca 0.12 1.59 0.17 0.00 -0.52 0.00 0.00 52.55 53.91 1hwu s ASP 66 Cb 0.03 -2.50 1.12 0.00 -1.46 0.00 0.00 42.92 40.11 1hwu s ASP 66 CO 0.06 -0.40 1.98 0.44 0.52 0.00 0.00 175.17 177.77 1hwu h ASP 67 N 1.67 0.28 0.31 -0.34 5.19 -1.95 0.08 116.42 121.67 1hwu h ASP 67 Ca -0.48 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1hwu h ASP 67 Cb 1.18 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1hwu h ASP 67 CO 0.62 0.16 0.00 0.29 -3.12 0.00 0.00 179.24 177.19 1hwu n LYS 68 N -4.46 0.48 0.00 3.56 4.01 -1.26 -3.11 118.16 117.39 1hwu n LYS 68 Ca 0.10 0.04 0.03 0.00 -0.51 0.00 0.00 58.31 57.98 1hwu n LYS 68 Cb 0.44 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.45 1hwu n LYS 68 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1hwu n VAL 69 N -1.20 0.00 0.00 -0.18 0.31 0.01 -4.74 118.33 112.54 1hwu n VAL 69 Ca 0.14 -0.38 -0.10 0.00 -0.01 0.00 0.00 64.34 63.99 1hwu n VAL 69 Cb 0.16 1.05 -0.04 0.00 -0.91 0.00 0.00 33.84 34.09 1hwu n VAL 69 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1hwu h VAL 70 N 0.44 0.79 -0.69 2.52 2.07 -1.48 -1.50 116.25 118.41 1hwu h VAL 70 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1hwu h VAL 70 Cb 0.21 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1hwu h VAL 70 CO 0.00 0.00 0.20 -0.33 0.02 0.00 0.00 177.57 177.46 1hwu h GLU 71 N -0.08 1.08 -0.32 1.57 4.39 -1.85 -1.15 114.58 118.23 1hwu h GLU 71 Ca 0.06 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1hwu h GLU 71 Cb 0.17 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1hwu h GLU 71 CO -0.15 0.94 0.20 1.96 -1.16 0.00 0.00 179.01 180.80 1hwu h GLN 72 N 1.01 0.42 -0.68 2.33 4.20 -1.86 -1.37 115.11 119.17 1hwu h GLN 72 Ca 0.22 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1hwu h GLN 72 Cb 0.32 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1hwu h GLN 72 CO -0.00 0.30 0.32 0.00 -0.67 0.00 0.00 178.83 178.78 1hwu h ALA 73 N 1.10 1.28 -0.30 3.87 0.00 -0.86 -0.53 119.26 123.82 1hwu h ALA 73 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1hwu h ALA 73 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1hwu h ALA 73 CO -0.02 0.55 -0.00 0.28 0.00 0.00 0.00 179.25 180.06 1hwu h VAL 74 N 0.96 1.26 -0.19 0.00 2.07 -0.95 -2.35 116.25 117.05 1hwu h VAL 74 Ca 0.24 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1hwu h VAL 74 Cb 0.11 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1hwu h VAL 74 CO -0.03 0.30 -0.01 0.44 0.02 0.00 0.00 177.57 178.30 1hwu h ASP 75 N 0.32 -0.08 -0.81 0.57 3.32 -0.98 -1.18 116.42 117.58 1hwu h ASP 75 Ca 0.08 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1hwu h ASP 75 Cb 0.43 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1hwu h ASP 75 CO 0.02 -0.02 0.50 0.00 -1.72 0.00 0.00 179.24 178.02 1hwu h ALA 76 N 1.16 1.09 -0.22 3.45 0.00 -1.05 -0.26 119.26 123.44 1hwu h ALA 76 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1hwu h ALA 76 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1hwu h ALA 76 CO -0.15 0.24 0.07 0.82 0.00 0.00 0.00 179.25 180.23 1hwu h ILE 77 N 0.92 1.19 -0.21 0.00 2.04 -0.94 -2.80 117.51 117.71 1hwu h ILE 77 Ca 0.35 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1hwu h ILE 77 Cb 0.14 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1hwu h ILE 77 CO -0.16 0.20 0.09 0.40 0.00 0.00 0.00 178.15 178.67 1hwu h ILE 78 N 0.18 0.96 -0.54 -0.67 2.04 -0.79 0.16 117.51 118.87 1hwu h ILE 78 Ca 0.07 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1hwu h ILE 78 Cb 0.24 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1hwu h ILE 78 CO -0.00 0.04 0.36 0.11 0.00 0.00 0.00 178.15 178.65 1hwu h LYS 79 N 0.19 0.70 0.04 2.37 1.57 -0.99 -2.55 116.57 117.90 1hwu h LYS 79 Ca 0.09 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.57 1hwu h LYS 79 Cb 0.05 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1hwu h LYS 79 CO -0.08 0.46 -1.31 0.00 -0.57 0.00 0.00 179.45 177.95 1hwu h ALA 80 N 1.67 0.40 0.00 3.86 0.00 -1.20 -3.40 119.26 120.58 1hwu h ALA 80 Ca 0.20 -1.08 -0.26 0.00 0.00 0.00 0.00 54.91 53.77 1hwu h ALA 80 Cb -0.07 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1hwu h ALA 80 CO -0.04 1.27 -1.89 0.00 0.00 0.00 0.00 179.25 178.59 1hwu n ALA 81 N -2.49 1.73 -1.63 0.00 0.00 0.01 -4.75 120.51 113.39 1hwu n ALA 81 Ca -0.09 -0.88 -0.44 0.00 0.00 0.00 0.00 53.44 52.04 1hwu n ALA 81 Cb 1.00 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 1hwu n ALA 81 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1hwu n ARG 82 N -2.83 2.33 -0.04 0.00 0.63 -0.97 -4.81 116.66 110.96 1hwu n ARG 82 Ca -0.19 0.77 0.03 0.00 -0.92 0.00 0.00 57.85 57.54 1hwu n ARG 82 Cb 0.99 -3.04 -0.17 0.00 0.45 0.00 0.00 32.46 30.70 1hwu n ARG 82 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1hwu n THR 83 N 6.51 0.51 -0.57 5.15 -2.24 -1.26 -4.98 114.28 117.40 1hwu n THR 83 Ca 0.26 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1hwu n THR 83 Cb 0.40 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1hwu n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwu n GLY 84 N 1.44 0.93 3.97 3.38 0.00 -1.26 -5.03 105.19 108.62 1hwu n GLY 84 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1hwu n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hwu s LYS 85 N -0.37 1.64 0.28 1.61 1.02 -1.26 -5.08 119.74 117.58 1hwu s LYS 85 Ca 0.00 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 54.87 1hwu s LYS 85 Cb 0.00 -2.23 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 1hwu s LYS 85 CO 0.00 -1.53 1.22 0.42 -0.92 0.00 0.00 175.35 174.54 1hwu s ILE 86 N -3.26 3.16 0.00 2.17 -1.09 -1.26 -3.71 121.20 117.22 1hwu s ILE 86 Ca 0.66 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 60.20 1hwu s ILE 86 Cb -0.06 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1hwu s ILE 86 CO 0.45 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 1hwu n GLY 87 N 1.31 0.58 0.36 6.18 0.00 -1.26 -4.97 105.19 107.40 1hwu n GLY 87 Ca 0.01 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.70 1hwu n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hwu h ASP 88 N 0.00 0.84 -4.32 1.61 3.32 -1.91 -3.42 116.42 112.53 1hwu h ASP 88 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1hwu h ASP 88 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1hwu h ASP 88 CO 0.00 0.50 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 1hwu n GLY 89 N -1.40 0.02 3.29 2.75 0.00 -1.26 -4.08 105.19 104.52 1hwu n GLY 89 Ca 0.15 -2.28 -0.15 0.00 0.00 0.00 0.00 46.02 43.74 1hwu n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hwu s LYS 90 N 0.00 1.33 -0.04 1.61 3.01 -1.09 -4.99 119.74 119.56 1hwu s LYS 90 Ca 0.00 -1.70 0.02 0.00 -1.01 0.00 0.00 55.97 53.27 1hwu s LYS 90 Cb 0.00 -0.20 0.02 0.00 -1.01 0.00 0.00 37.83 36.63 1hwu s LYS 90 CO 0.00 -0.27 -0.06 0.42 0.51 0.00 0.00 175.35 175.94 1hwu s ILE 91 N -3.78 0.64 0.11 2.17 1.01 -1.26 -0.92 121.20 119.17 1hwu s ILE 91 Ca 0.35 -0.21 0.10 0.00 0.00 0.00 0.00 60.65 60.89 1hwu s ILE 91 Cb 0.07 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1hwu s ILE 91 CO 0.12 0.24 -0.26 -0.36 0.00 0.00 0.00 174.94 174.67 1hwu s PHE 92 N 0.68 2.22 -0.05 3.97 0.40 0.31 -4.97 117.98 120.54 1hwu s PHE 92 Ca -0.10 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 1hwu s PHE 92 Cb -0.13 -1.23 0.00 0.00 0.51 0.00 0.00 43.02 42.17 1hwu s PHE 92 CO 0.01 0.27 -0.15 0.08 0.70 0.00 0.00 175.22 176.13 1hwu s VAL 93 N -1.01 1.28 0.03 -0.44 1.01 -1.26 -1.19 120.40 118.82 1hwu s VAL 93 Ca 0.12 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1hwu s VAL 93 Cb -0.10 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1hwu s VAL 93 CO 0.05 0.38 -0.09 -1.10 0.00 0.00 0.00 175.10 174.34 1hwu s GLN 94 N 0.33 0.61 0.32 2.72 -0.21 -0.65 -5.00 119.66 117.78 1hwu s GLN 94 Ca -0.09 -0.66 -0.29 0.00 0.02 0.00 0.00 55.36 54.34 1hwu s GLN 94 Cb -0.13 -0.49 -0.10 0.00 1.00 0.00 0.00 33.01 33.28 1hwu s GLN 94 CO 0.03 0.11 1.38 -1.21 -2.12 0.00 0.00 175.29 173.48 1hwu s GLU 95 N -1.21 4.28 -0.11 2.91 0.41 -1.26 -0.78 118.70 122.94 1hwu s GLU 95 Ca -0.05 2.31 0.02 0.00 -0.41 0.00 0.00 54.97 56.84 1hwu s GLU 95 Cb -0.08 -3.06 -0.01 0.00 -1.78 0.00 0.00 34.13 29.20 1hwu s GLU 95 CO 0.01 -0.32 -0.18 0.08 -0.49 0.00 0.00 175.26 174.36 1hwu s VAL 96 N -0.84 2.57 -0.08 2.63 1.01 -0.48 -4.74 120.40 120.47 1hwu s VAL 96 Ca 0.52 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1hwu s VAL 96 Cb -0.42 -2.03 -0.29 0.00 0.00 0.00 0.00 36.38 33.64 1hwu s VAL 96 CO 0.52 0.54 0.64 -0.33 0.00 0.00 0.00 175.10 176.48 1hwu h GLU 97 N 6.63 0.29 -4.44 2.72 5.08 -1.97 -3.27 114.58 119.63 1hwu h GLU 97 Ca -0.24 -0.49 -0.26 0.00 -1.00 0.00 0.00 59.36 57.37 1hwu h GLU 97 Cb 1.22 0.18 -0.22 0.00 0.50 0.00 0.00 28.75 30.43 1hwu h GLU 97 CO 0.51 1.24 -0.73 -1.14 -1.00 0.00 0.00 179.01 177.89 1hwu s GLN 98 N -2.49 0.47 -0.06 2.33 2.00 -1.26 -4.95 119.66 115.70 1hwu s GLN 98 Ca -0.18 -0.65 0.00 0.00 -2.00 0.00 0.00 55.36 52.53 1hwu s GLN 98 Cb 0.04 -0.24 0.02 0.00 0.80 0.00 0.00 33.01 33.63 1hwu s GLN 98 CO 0.80 0.04 -0.04 0.08 -0.50 0.00 0.00 175.29 175.67 1hwu s VAL 99 N -1.21 0.57 -0.06 1.34 1.01 -1.26 -5.02 120.40 115.78 1hwu s VAL 99 Ca -0.09 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1hwu s VAL 99 Cb -0.09 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1hwu s VAL 99 CO 0.00 0.26 -0.14 -0.63 0.00 0.00 0.00 175.10 174.59 1hwu s ILE 100 N 1.33 1.26 -0.24 2.22 1.01 -1.26 -1.88 121.20 123.64 1hwu s ILE 100 Ca -0.04 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 1hwu s ILE 100 Cb -0.14 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1hwu s ILE 100 CO -0.02 0.38 0.35 -0.60 0.00 0.00 0.00 174.94 175.05 1hwu s ARG 101 N 0.40 4.08 0.05 2.79 3.52 0.15 -4.98 118.95 124.96 1hwu s ARG 101 Ca -0.10 0.05 -0.27 0.00 -0.13 0.00 0.00 55.73 55.28 1hwu s ARG 101 Cb -0.14 -3.60 -0.17 0.00 -1.56 0.00 0.00 34.95 29.48 1hwu s ARG 101 CO 0.03 -0.15 1.53 0.82 -0.81 0.00 0.00 175.30 176.72 1hwu h ILE 102 N 5.22 0.70 -0.69 4.11 2.04 -1.95 -0.41 117.51 126.53 1hwu h ILE 102 Ca -0.34 -0.23 0.15 0.00 1.00 0.00 0.00 64.86 65.44 1hwu h ILE 102 Cb 1.16 0.82 -0.12 0.00 -0.74 0.00 0.00 36.82 37.95 1hwu h ILE 102 CO 0.67 0.05 -0.01 -0.09 0.00 0.00 0.00 178.15 178.77 1hwu h ARG 103 N -0.57 0.10 0.00 2.37 1.12 -1.98 -3.28 114.38 112.15 1hwu h ARG 103 Ca -0.04 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.81 1hwu h ARG 103 Cb 0.42 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.35 1hwu h ARG 103 CO 0.07 0.07 -1.79 0.25 -3.11 0.00 0.00 179.97 175.46 1hwu n THR 104 N -5.32 0.03 -0.89 0.20 -2.24 -1.24 -4.97 114.28 99.85 1hwu n THR 104 Ca 0.11 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1hwu n THR 104 Cb 0.41 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1hwu n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwu n GLY 105 N 1.55 0.58 3.74 3.38 0.00 -0.17 -4.99 105.19 109.28 1hwu n GLY 105 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1hwu n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hwu s GLU 106 N -0.11 2.49 0.08 1.61 2.02 -1.20 -4.74 118.70 118.84 1hwu s GLU 106 Ca 0.00 1.63 0.02 0.00 0.02 0.00 0.00 54.97 56.64 1hwu s GLU 106 Cb 0.00 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1hwu s GLU 106 CO 0.00 -1.54 -0.07 0.99 0.02 0.00 0.00 175.26 174.66 1hwu s THR 107 N -2.06 0.65 0.00 3.63 2.01 -1.26 0.30 115.64 118.91 1hwu s THR 107 Ca 0.72 -1.60 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1hwu s THR 107 Cb -0.26 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 70.98 1hwu s THR 107 CO 0.42 -0.68 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 1hwu n GLY 108 N 0.55 3.13 0.29 4.40 0.00 -0.79 -2.95 105.19 109.82 1hwu n GLY 108 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1hwu n GLY 108 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hwu h PRO 109 N 0.00 -0.02 -0.18 1.61 0.10 -1.99 0.10 132.00 131.62 1hwu h PRO 109 Ca 0.00 0.00 0.05 0.00 0.10 0.00 0.00 66.00 66.15 1hwu h PRO 109 Cb 0.00 0.01 -0.01 0.00 0.10 0.00 0.00 31.00 31.10 1hwu h PRO 109 CO 0.00 -0.02 0.25 -0.44 0.10 0.00 0.00 178.00 177.90 1hwu h ASP 110 N -0.03 0.00 -0.02 -2.05 5.19 -1.93 -3.15 116.42 114.44 1hwu h ASP 110 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1hwu h ASP 110 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1hwu h ASP 110 CO -0.76 0.00 -0.23 0.00 -3.12 0.00 0.00 179.24 175.13 1hwu n ALA 111 N -2.23 2.96 1.60 3.45 0.00 0.35 -4.82 120.51 121.82 1hwu n ALA 111 Ca 0.02 -0.62 0.13 0.00 0.00 0.00 0.00 53.44 52.97 1hwu n ALA 111 Cb 0.37 -0.67 0.76 0.00 0.00 0.00 0.00 19.45 19.91 1hwu n ALA 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78