#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azz h LEU 7 N 0.00 0.49 -1.22 1.53 5.85 -2.01 0.22 115.31 120.18 1azz h LEU 7 Ca 0.00 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1azz h LEU 7 Cb 0.00 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1azz h LEU 7 CO 0.00 -0.05 0.26 -0.33 -0.34 0.00 0.00 178.44 177.98 1azz h GLU 8 N 0.35 0.80 0.00 1.25 3.07 -1.95 0.86 114.58 118.96 1azz h GLU 8 Ca 0.70 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1azz h GLU 8 Cb 1.69 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 1azz h GLU 8 CO -0.49 0.63 0.00 0.36 -1.40 0.00 0.00 179.01 178.11 1azz n LYS 9 N -4.35 0.32 -0.09 2.33 -0.00 0.78 -2.87 118.16 114.27 1azz n LYS 9 Ca 0.05 0.09 -0.14 0.00 -0.00 0.00 0.00 58.31 58.31 1azz n LYS 9 Cb 0.14 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.61 1azz n LYS 9 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1azz n ILE 10 N -1.26 1.48 -3.58 0.58 2.08 0.25 -5.05 119.36 113.86 1azz n ILE 10 Ca 0.10 0.08 -0.06 0.00 0.56 0.00 0.00 62.75 63.43 1azz n ILE 10 Cb 0.15 -2.21 -0.02 0.00 -0.75 0.00 0.00 39.64 36.81 1azz n ILE 10 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1azz s ALA 11 N -2.58 -1.84 -1.34 -1.39 0.00 -0.91 -5.06 121.76 108.64 1azz s ALA 11 Ca -0.23 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1azz s ALA 11 Cb 0.05 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 1azz s ALA 11 CO 0.40 -0.78 2.44 -0.35 0.00 0.00 0.00 175.76 177.47 1azz n PRO 12 N -0.29 2.86 -2.02 0.00 -0.04 -1.26 -4.07 135.00 130.18 1azz n PRO 12 Ca -0.07 -2.17 -0.41 0.00 -0.04 0.00 0.00 63.50 60.81 1azz n PRO 12 Cb 0.61 -2.93 -0.01 0.00 -0.04 0.00 0.00 33.50 31.13 1azz n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1azz s TYR 13 N 3.10 2.89 0.73 0.54 2.02 -1.26 -4.94 117.35 120.42 1azz s TYR 13 Ca 0.56 1.35 -0.15 0.00 -0.37 0.00 0.00 57.07 58.45 1azz s TYR 13 Cb 0.15 -3.77 0.04 0.00 -0.40 0.00 0.00 41.96 37.97 1azz s TYR 13 CO -0.04 -2.21 1.24 -1.25 -1.57 0.00 0.00 175.55 171.72 1azz s PRO 14 N -1.94 2.08 0.58 -1.71 0.04 -1.26 -4.99 135.00 127.80 1azz s PRO 14 Ca 0.51 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 63.27 1azz s PRO 14 Cb -0.41 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1azz s PRO 14 CO 0.55 -1.91 1.03 -0.65 0.04 0.00 0.00 177.00 176.06 1azz s GLN 15 N -3.82 3.55 0.17 4.56 -1.52 -1.26 -4.99 119.66 116.36 1azz s GLN 15 Ca 0.77 1.00 -0.30 0.00 -1.95 0.00 0.00 55.36 54.88 1azz s GLN 15 Cb -0.32 -2.07 -0.07 0.00 -0.22 0.00 0.00 33.01 30.32 1azz s GLN 15 CO 0.45 -0.61 1.02 0.00 -0.25 0.00 0.00 175.29 175.91 1azz s ALA 16 N -2.71 3.33 1.23 6.09 0.00 -1.26 -5.03 121.76 123.40 1azz s ALA 16 Ca 0.60 0.70 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 1azz s ALA 16 Cb -0.13 -3.30 0.30 0.00 0.00 0.00 0.00 23.12 19.99 1azz s ALA 16 CO 0.40 -0.07 1.03 -1.21 0.00 0.00 0.00 175.76 175.92 1azz s GLU 17 N -0.47 -1.44 0.06 0.00 8.01 -1.26 -4.86 118.70 118.75 1azz s GLU 17 Ca 0.47 0.27 -0.31 0.00 0.01 0.00 0.00 54.97 55.41 1azz s GLU 17 Cb -0.27 -1.54 -0.06 0.00 -4.31 0.00 0.00 34.13 27.95 1azz s GLU 17 CO 0.33 -3.92 1.35 0.15 0.01 0.00 0.00 175.26 173.17 1azz s LYS 18 N -5.03 4.33 0.00 1.61 -0.14 -1.26 -1.40 119.74 117.85 1azz s LYS 18 Ca 0.69 1.96 0.00 0.00 -1.36 0.00 0.00 55.97 57.26 1azz s LYS 18 Cb -0.16 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.61 1azz s LYS 18 CO 0.59 -0.44 0.00 0.41 -0.76 0.00 0.00 175.35 175.14 1azz n GLY 19 N 3.48 0.83 3.69 -3.33 0.00 -1.26 -5.03 105.19 103.56 1azz n GLY 19 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1azz n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1azz s MET 20 N -0.31 2.47 -0.06 1.61 1.00 -0.50 -1.22 119.30 122.30 1azz s MET 20 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 55.69 54.54 1azz s MET 20 Cb 0.00 -2.36 0.02 0.00 0.00 0.00 0.00 34.83 32.50 1azz s MET 20 CO 0.00 0.43 -0.03 0.21 0.00 0.00 0.00 175.02 175.63 1azz s LYS 21 N -3.21 0.83 -0.29 2.03 2.20 0.11 -4.59 119.74 116.81 1azz s LYS 21 Ca 0.29 -0.05 -0.16 0.00 -0.36 0.00 0.00 55.97 55.69 1azz s LYS 21 Cb -0.09 -0.95 -0.03 0.00 -1.51 0.00 0.00 37.83 35.26 1azz s LYS 21 CO 0.20 -0.16 0.40 0.50 -0.36 0.00 0.00 175.35 175.93 1azz s ARG 22 N 1.30 3.88 -0.04 4.03 3.52 -1.26 -1.17 118.95 129.21 1azz s ARG 22 Ca -0.05 -0.05 0.05 0.00 -0.13 0.00 0.00 55.73 55.56 1azz s ARG 22 Cb -0.14 -3.71 -0.02 0.00 -1.56 0.00 0.00 34.95 29.53 1azz s ARG 22 CO -0.02 -0.38 -0.19 -0.65 -0.81 0.00 0.00 175.30 173.24 1azz s GLN 23 N 2.13 2.35 -0.03 5.12 -0.21 0.26 -4.98 119.66 124.30 1azz s GLN 23 Ca 0.15 -0.80 0.03 0.00 0.02 0.00 0.00 55.36 54.77 1azz s GLN 23 Cb -0.16 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.62 1azz s GLN 23 CO 0.11 0.59 -0.12 0.08 -2.12 0.00 0.00 175.29 173.83 1azz s VAL 24 N -0.66 1.00 -0.09 1.09 1.01 -1.26 -0.86 120.40 120.63 1azz s VAL 24 Ca 0.10 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1azz s VAL 24 Cb -0.10 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1azz s VAL 24 CO 0.00 0.30 -0.19 -0.63 0.00 0.00 0.00 175.10 174.59 1azz s ILE 25 N 0.15 2.60 -0.17 2.22 1.01 -0.30 -4.95 121.20 121.76 1azz s ILE 25 Ca -0.04 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1azz s ILE 25 Cb -0.10 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.37 1azz s ILE 25 CO 0.01 0.56 -0.20 -1.58 0.00 0.00 0.00 174.94 173.73 1azz s GLN 26 N 0.01 3.01 0.28 2.79 2.00 -1.26 -0.64 119.66 125.84 1azz s GLN 26 Ca -0.06 -0.83 -0.05 0.00 -2.00 0.00 0.00 55.36 52.41 1azz s GLN 26 Cb -0.15 -2.55 -0.05 0.00 0.80 0.00 0.00 33.01 31.06 1azz s GLN 26 CO 0.05 -0.17 0.54 -0.51 -0.50 0.00 0.00 175.29 174.70 1azz s LEU 27 N 1.19 4.08 0.06 3.68 1.43 -1.26 -5.06 118.68 122.80 1azz s LEU 27 Ca 0.03 0.73 -0.26 0.00 -1.03 0.00 0.00 54.13 53.60 1azz s LEU 27 Cb -0.14 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 1azz s LEU 27 CO -0.10 -0.17 0.80 -0.89 0.23 0.00 0.00 176.35 176.21 1azz s THR 28 N -2.03 4.68 0.27 5.49 2.01 -1.26 -4.77 115.64 120.03 1azz s THR 28 Ca 0.44 1.71 -0.30 0.00 0.31 0.00 0.00 61.69 63.85 1azz s THR 28 Cb -0.11 -4.15 -0.13 0.00 0.01 0.00 0.00 72.50 68.12 1azz s THR 28 CO 0.29 0.36 1.36 -2.65 -0.69 0.00 0.00 174.62 173.29 1azz n PRO 29 N 2.77 2.03 -4.63 4.92 -0.02 -1.26 -4.81 135.00 134.00 1azz n PRO 29 Ca -0.02 0.72 -0.28 0.00 -2.02 0.00 0.00 63.50 61.90 1azz n PRO 29 Cb 0.50 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.53 1azz n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1azz s GLN 30 N -0.83 1.97 -0.00 -0.52 -1.52 -1.26 -5.10 119.66 112.41 1azz s GLN 30 Ca 0.64 -2.13 -0.01 0.00 -1.95 0.00 0.00 55.36 51.92 1azz s GLN 30 Cb -0.63 -1.61 -0.00 0.00 -0.22 0.00 0.00 33.01 30.54 1azz s GLN 30 CO 0.53 -0.08 0.42 1.05 -0.25 0.00 0.00 175.29 176.96 1azz h GLU 31 N 1.74 -0.03 -4.67 2.91 4.11 -2.06 -3.40 114.58 113.18 1azz h GLU 31 Ca -0.44 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.30 1azz h GLU 31 Cb 1.25 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 30.26 1azz h GLU 31 CO 0.80 -0.02 -0.54 0.34 0.07 0.00 0.00 179.01 179.66 1azz s ASP 32 N -2.70 5.61 0.00 3.06 2.15 -1.26 -4.89 116.67 118.63 1azz s ASP 32 Ca -0.00 -0.85 0.27 0.00 0.43 0.00 0.00 52.55 52.40 1azz s ASP 32 Cb 0.00 -2.00 1.00 0.00 -0.30 0.00 0.00 42.92 41.62 1azz s ASP 32 CO 0.01 -0.31 1.71 -0.62 -0.17 0.00 0.00 175.17 175.79 1azz n GLU 33 N 4.97 1.68 0.17 4.34 1.02 -1.26 -3.98 120.64 127.59 1azz n GLU 33 Ca -0.13 -1.00 0.13 0.00 -0.02 0.00 0.00 57.16 56.15 1azz n GLU 33 Cb 0.47 -1.47 0.35 0.00 -0.02 0.00 0.00 31.44 30.77 1azz n GLU 33 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1azz h SER 34 N 2.36 0.00 -0.94 1.62 0.02 -1.90 -2.98 113.55 111.73 1azz h SER 34 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1azz h SER 34 Cb 0.50 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.76 1azz h SER 34 CO 0.00 0.00 0.67 0.35 -1.14 0.00 0.00 176.83 176.71 1azz n THR 35 N -2.69 3.20 -3.76 -2.27 -2.24 -1.26 -4.92 114.28 100.35 1azz n THR 35 Ca 0.04 -2.05 -0.14 0.00 -2.27 0.00 0.00 64.05 59.63 1azz n THR 35 Cb 0.44 -0.67 -0.15 0.00 -2.10 0.00 0.00 70.33 67.86 1azz n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1azz s LEU 36 N -3.24 0.87 0.31 3.22 2.96 -1.13 -0.79 118.68 120.88 1azz s LEU 36 Ca 0.56 0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.77 1azz s LEU 36 Cb 0.46 0.25 -0.06 0.00 0.50 0.00 0.00 46.19 47.34 1azz s LEU 36 CO 0.08 -0.14 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.36 1azz s LYS 37 N 1.07 1.67 -0.11 1.98 1.02 -0.18 -3.19 119.74 122.00 1azz s LYS 37 Ca -0.08 -1.86 0.02 0.00 0.02 0.00 0.00 55.97 54.07 1azz s LYS 37 Cb -0.11 -1.38 0.01 0.00 -0.52 0.00 0.00 37.83 35.83 1azz s LYS 37 CO -0.05 0.07 -0.18 0.08 -0.92 0.00 0.00 175.35 174.35 1azz s VAL 38 N -2.85 1.71 -0.21 3.17 1.01 -0.22 -1.54 120.40 121.47 1azz s VAL 38 Ca 0.31 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1azz s VAL 38 Cb 0.03 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1azz s VAL 38 CO 0.14 0.48 0.24 -0.70 0.00 0.00 0.00 175.10 175.26 1azz s GLU 39 N 0.84 4.15 -0.25 2.72 2.12 -0.15 -0.30 118.70 127.84 1azz s GLU 39 Ca -0.09 -0.08 -0.18 0.00 0.36 0.00 0.00 54.97 54.98 1azz s GLU 39 Cb -0.15 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1azz s GLU 39 CO -0.00 0.11 0.52 -0.51 -0.54 0.00 0.00 175.26 174.84 1azz s LEU 40 N 0.89 4.07 -0.45 2.70 1.43 -0.08 -1.77 118.68 125.47 1azz s LEU 40 Ca 0.12 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 53.66 1azz s LEU 40 Cb -0.13 -2.69 0.07 0.00 0.03 0.00 0.00 46.19 43.48 1azz s LEU 40 CO 0.04 -0.27 0.34 -0.76 0.23 0.00 0.00 176.35 175.93 1azz s LEU 41 N 2.16 5.42 -0.09 1.79 2.01 -0.46 -4.90 118.68 124.60 1azz s LEU 41 Ca 0.22 -1.40 0.01 0.00 0.01 0.00 0.00 54.13 52.97 1azz s LEU 41 Cb -0.16 -2.10 -0.02 0.00 0.01 0.00 0.00 46.19 43.92 1azz s LEU 41 CO 0.09 -0.60 -0.10 -0.63 1.01 0.00 0.00 176.35 176.12 1azz s ILE 42 N 1.55 3.35 0.00 -0.59 1.01 -1.26 -0.69 121.20 124.57 1azz s ILE 42 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1azz s ILE 42 Cb -0.24 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1azz s ILE 42 CO 0.05 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1azz n GLY 43 N 2.81 0.98 3.30 6.18 0.00 -0.44 -0.02 105.19 118.00 1azz n GLY 43 Ca -0.18 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 1azz n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1azz s GLN 44 N -0.91 1.19 -0.14 1.61 -0.21 -0.93 -0.78 119.66 119.49 1azz s GLN 44 Ca 0.00 -1.49 -0.23 0.00 0.02 0.00 0.00 55.36 53.66 1azz s GLN 44 Cb 0.00 -0.93 -0.03 0.00 1.00 0.00 0.00 33.01 33.06 1azz s GLN 44 CO 0.00 0.15 0.71 0.99 -2.12 0.00 0.00 175.29 175.02 1azz s THR 45 N -2.95 4.99 0.29 -0.19 2.01 -1.26 -0.48 115.64 118.06 1azz s THR 45 Ca 0.18 1.40 0.10 0.00 0.31 0.00 0.00 61.69 63.69 1azz s THR 45 Cb -0.00 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1azz s THR 45 CO 0.04 0.14 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.20 1azz s LEU 46 N 1.58 2.62 -0.38 4.42 1.43 0.13 -4.86 118.68 123.61 1azz s LEU 46 Ca 0.34 -1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.12 1azz s LEU 46 Cb -0.17 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.11 1azz s LEU 46 CO 0.14 -0.11 0.76 -1.61 0.23 0.00 0.00 176.35 175.76 1azz s GLU 47 N -3.58 3.66 0.00 1.70 2.02 -1.26 -0.23 118.70 121.00 1azz s GLU 47 Ca 0.30 0.17 0.03 0.00 0.02 0.00 0.00 54.97 55.48 1azz s GLU 47 Cb -0.01 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.35 1azz s GLU 47 CO 0.14 -0.89 -0.07 0.08 0.02 0.00 0.00 175.26 174.54 1azz s VAL 48 N 3.07 3.63 0.00 2.63 1.01 0.98 -4.88 120.40 126.84 1azz s VAL 48 Ca 0.30 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1azz s VAL 48 Cb -0.13 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1azz s VAL 48 CO 0.18 0.40 0.00 -0.90 0.00 0.00 0.00 175.10 174.78 1azz n ASP 49 N 1.59 0.00 -0.92 3.32 5.75 -1.26 -0.96 116.55 124.07 1azz n ASP 49 Ca -0.16 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.73 1azz n ASP 49 Cb 0.53 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.89 1azz n ASP 49 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1azz s ASN 51 N -1.37 6.51 0.18 0.00 0.01 -1.26 -5.04 114.94 113.98 1azz s ASN 51 Ca 0.36 1.13 -0.30 0.00 -0.71 0.00 0.00 52.86 53.33 1azz s ASN 51 Cb 0.20 -2.32 -0.09 0.00 0.41 0.00 0.00 41.25 39.45 1azz s ASN 51 CO 0.28 -0.41 1.37 -0.76 -1.51 0.00 0.00 177.10 176.07 1azz s LEU 52 N -3.90 4.39 0.08 0.60 1.43 -1.26 -4.80 118.68 115.22 1azz s LEU 52 Ca 0.51 2.44 0.08 0.00 -1.03 0.00 0.00 54.13 56.13 1azz s LEU 52 Cb -0.10 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1azz s LEU 52 CO 0.32 -0.61 -0.21 -1.00 0.23 0.00 0.00 176.35 175.08 1azz s HIS 53 N 0.45 1.80 -0.06 0.29 3.76 -1.26 -1.76 115.29 118.50 1azz s HIS 53 Ca 0.60 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.81 1azz s HIS 53 Cb -0.38 -1.01 0.09 0.00 1.11 0.00 0.00 32.58 32.39 1azz s HIS 53 CO 0.36 0.17 0.78 0.50 -0.85 0.00 0.00 174.74 175.70 1azz s ARG 54 N -1.69 0.93 0.23 1.40 6.06 -1.04 -4.92 118.95 119.91 1azz s ARG 54 Ca 0.07 0.14 0.01 0.00 -2.50 0.00 0.00 55.73 53.44 1azz s ARG 54 Cb -0.10 0.44 -0.05 0.00 0.06 0.00 0.00 34.95 35.30 1azz s ARG 54 CO 0.04 -0.31 0.09 -0.48 -2.50 0.00 0.00 175.30 172.14 1azz s LEU 55 N -1.36 1.56 0.25 -0.88 0.05 -1.25 -0.66 118.68 116.38 1azz s LEU 55 Ca -0.07 -1.36 0.03 0.00 0.05 0.00 0.00 54.13 52.78 1azz s LEU 55 Cb -0.00 0.12 -0.05 0.00 -2.05 0.00 0.00 46.19 44.21 1azz s LEU 55 CO 0.05 -0.74 0.04 -0.83 -0.55 0.00 0.00 176.35 174.31 1azz s GLY 56 N -3.25 1.67 -0.11 -3.48 0.00 -1.26 -0.92 107.32 99.97 1azz s GLY 56 Ca 0.36 -1.83 -0.33 0.00 0.00 0.00 0.00 44.72 42.93 1azz s GLY 56 CO 0.12 -1.65 1.10 -0.32 0.00 0.00 0.00 173.10 172.34 1azz s GLY 57 N -3.32 -0.35 -0.05 0.20 0.00 -1.18 -0.83 107.32 101.78 1azz s GLY 57 Ca 0.32 1.33 -0.14 0.00 0.00 0.00 0.00 44.72 46.23 1azz s GLY 57 CO 0.11 0.44 0.37 0.54 0.00 0.00 0.00 173.10 174.55 1azz s LYS 58 N -2.67 3.95 -0.30 2.90 3.01 -0.07 -4.47 119.74 122.09 1azz s LYS 58 Ca 0.08 0.31 -0.06 0.00 -1.01 0.00 0.00 55.97 55.29 1azz s LYS 58 Cb -0.01 -3.27 0.02 0.00 -1.01 0.00 0.00 37.83 33.56 1azz s LYS 58 CO -0.06 0.58 0.06 -1.17 0.51 0.00 0.00 175.35 175.27 1azz s LEU 59 N -0.67 3.83 -0.14 3.17 2.96 -1.26 -1.88 118.68 124.68 1azz s LEU 59 Ca 0.22 -0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 1azz s LEU 59 Cb -0.15 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 1azz s LEU 59 CO 0.11 -0.21 0.21 -1.61 -1.32 0.00 0.00 176.35 173.52 1azz s GLU 60 N 1.45 3.95 -0.00 1.98 2.02 0.63 -4.93 118.70 123.79 1azz s GLU 60 Ca 0.01 -0.04 -0.23 0.00 0.02 0.00 0.00 54.97 54.73 1azz s GLU 60 Cb -0.18 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.67 1azz s GLU 60 CO 0.01 0.47 0.68 1.21 0.02 0.00 0.00 175.26 177.65 1azz s ASN 61 N -0.19 7.06 0.19 -0.19 2.47 -1.26 -1.25 114.94 121.77 1azz s ASN 61 Ca 0.14 1.27 0.03 0.00 0.42 0.00 0.00 52.86 54.72 1azz s ASN 61 Cb -0.12 -2.41 -0.05 0.00 -1.45 0.00 0.00 41.25 37.22 1azz s ASN 61 CO 0.03 0.02 -0.04 -0.54 -3.72 0.00 0.00 177.10 172.86 1azz s LYS 62 N 0.07 1.19 -0.02 0.43 1.02 0.48 -4.99 119.74 117.92 1azz s LYS 62 Ca 0.35 -1.57 0.04 0.00 0.02 0.00 0.00 55.97 54.82 1azz s LYS 62 Cb -0.19 -0.54 -0.01 0.00 -0.52 0.00 0.00 37.83 36.57 1azz s LYS 62 CO 0.19 -0.04 -0.14 0.99 -0.92 0.00 0.00 175.35 175.43 1azz s THR 63 N -3.44 1.15 -0.46 2.17 2.01 -1.26 -1.51 115.64 114.29 1azz s THR 63 Ca 0.23 -0.61 -0.28 0.00 0.31 0.00 0.00 61.69 61.34 1azz s THR 63 Cb 0.05 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1azz s THR 63 CO 0.05 0.33 1.52 -0.76 -0.69 0.00 0.00 174.62 175.07 1azz s LEU 64 N -0.23 3.49 0.34 4.42 1.43 0.85 -4.93 118.68 124.05 1azz s LEU 64 Ca 0.03 0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 53.55 1azz s LEU 64 Cb -0.07 -3.29 -0.13 0.00 0.03 0.00 0.00 46.19 42.74 1azz s LEU 64 CO -0.00 -1.66 1.20 1.21 0.23 0.00 0.00 176.35 177.34 1azz n GLU 65 N 8.43 1.88 0.00 1.70 2.13 -1.26 -0.85 120.64 132.67 1azz n GLU 65 Ca 0.17 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1azz n GLU 65 Cb 0.49 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.00 1azz n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1azz n GLY 66 N 0.90 2.91 0.17 8.31 0.00 -1.26 -4.71 105.19 111.51 1azz n GLY 66 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1azz n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1azz n TRP 67 N -0.64 0.00 -2.53 1.61 7.02 -0.55 -5.05 117.44 117.29 1azz n TRP 67 Ca 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.43 1azz n TRP 67 Cb 0.00 -0.29 0.01 0.00 -2.42 0.00 0.00 31.31 28.62 1azz n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1azz n GLY 68 N 3.02 0.45 3.64 6.99 0.00 -0.03 -5.02 105.19 114.24 1azz n GLY 68 Ca -0.14 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1azz n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1azz s TYR 69 N -2.79 2.86 0.21 1.61 2.02 -1.26 -4.93 117.35 115.07 1azz s TYR 69 Ca 0.09 -0.10 0.07 0.00 -0.37 0.00 0.00 57.07 56.76 1azz s TYR 69 Cb -0.04 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1azz s TYR 69 CO 0.11 0.47 0.11 -0.51 -1.57 0.00 0.00 175.55 174.16 1azz s ASP 70 N -2.41 5.22 0.08 2.29 1.01 -1.26 -0.10 116.67 121.49 1azz s ASP 70 Ca 0.24 -0.30 -0.09 0.00 0.71 0.00 0.00 52.55 53.11 1azz s ASP 70 Cb -0.11 -1.25 -0.00 0.00 1.01 0.00 0.00 42.92 42.57 1azz s ASP 70 CO 0.17 0.03 0.19 -0.72 0.21 0.00 0.00 175.17 175.05 1azz s TYR 71 N -1.96 0.13 0.22 4.23 -0.85 -0.57 -4.58 117.35 113.96 1azz s TYR 71 Ca 0.31 -0.51 0.10 0.00 -0.52 0.00 0.00 57.07 56.44 1azz s TYR 71 Cb -0.09 -0.05 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 1azz s TYR 71 CO 0.22 -0.52 -0.19 0.71 -1.52 0.00 0.00 175.55 174.26 1azz s TYR 72 N -3.60 2.02 -0.02 -3.49 1.51 -0.04 -0.39 117.35 113.34 1azz s TYR 72 Ca 0.03 -0.43 -0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1azz s TYR 72 Cb 0.04 -0.93 0.03 0.00 -0.11 0.00 0.00 41.96 40.98 1azz s TYR 72 CO -0.10 0.50 0.04 0.54 -1.11 0.00 0.00 175.55 175.42 1azz s VAL 73 N -2.43 -0.05 -0.22 0.71 0.11 -0.38 -1.09 120.40 117.04 1azz s VAL 73 Ca 0.23 0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 59.42 1azz s VAL 73 Cb -0.04 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.70 1azz s VAL 73 CO 0.10 0.08 0.03 0.12 -3.33 0.00 0.00 175.10 172.10 1azz s PHE 74 N 0.97 3.05 0.00 1.54 5.36 -0.68 -0.27 117.98 127.95 1azz s PHE 74 Ca -0.08 -0.50 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 1azz s PHE 74 Cb -0.11 -2.16 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 1azz s PHE 74 CO -0.03 -0.33 0.00 -3.47 -1.46 0.00 0.00 175.22 169.93 1azz n ASP 75 N 4.62 0.00 -3.85 6.13 -0.08 -0.79 -4.23 116.55 118.36 1azz n ASP 75 Ca -0.17 -0.56 -0.24 0.00 -1.51 0.00 0.00 54.79 52.31 1azz n ASP 75 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1azz n ASP 75 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1azz n LYS 76 N 0.00 -3.72 -2.17 -0.67 4.76 -1.26 -0.89 118.16 114.20 1azz n LYS 76 Ca 0.00 0.48 -0.39 0.00 -2.87 0.00 0.00 58.31 55.53 1azz n LYS 76 Cb 0.00 -4.73 -0.01 0.00 -1.84 0.00 0.00 35.03 28.45 1azz n LYS 76 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1azz s VAL 77 N -3.83 2.88 0.46 -0.18 1.01 -1.26 -3.79 120.40 115.69 1azz s VAL 77 Ca 0.03 0.78 0.08 0.00 0.00 0.00 0.00 61.98 62.87 1azz s VAL 77 Cb -0.01 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1azz s VAL 77 CO 0.86 0.11 0.45 -0.94 0.00 0.00 0.00 175.10 175.57 1azz s SER 78 N -0.88 5.04 0.13 3.32 1.04 -0.01 -4.94 113.70 117.40 1azz s SER 78 Ca 0.56 -0.81 -0.31 0.00 0.48 0.00 0.00 55.95 55.86 1azz s SER 78 Cb -0.35 -0.32 -0.10 0.00 0.10 0.00 0.00 66.02 65.36 1azz s SER 78 CO 0.45 -0.82 1.63 -0.44 0.98 0.00 0.00 173.24 175.05 1azz s SER 79 N -4.23 6.56 0.73 7.02 0.01 -1.26 -4.44 113.70 118.09 1azz s SER 79 Ca 0.48 2.61 -0.16 0.00 1.31 0.00 0.00 55.95 60.19 1azz s SER 79 Cb -0.04 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.65 1azz s SER 79 CO 0.28 -0.87 1.23 -2.65 0.41 0.00 0.00 173.24 171.64 1azz n PRO 80 N 4.69 0.62 -4.39 12.44 -0.02 -1.26 -4.79 135.00 142.30 1azz n PRO 80 Ca 0.15 0.28 -0.25 0.00 -2.02 0.00 0.00 63.50 61.67 1azz n PRO 80 Cb 0.39 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 1azz n PRO 80 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1azz s VAL 81 N -1.77 2.14 -0.05 -1.45 1.01 0.16 -4.96 120.40 115.49 1azz s VAL 81 Ca 0.78 -2.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 1azz s VAL 81 Cb -0.33 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1azz s VAL 81 CO 0.46 -0.22 0.17 -0.55 0.00 0.00 0.00 175.10 174.96 1azz s SER 82 N -2.74 -0.13 0.87 3.32 0.15 -1.26 -2.50 113.70 111.42 1azz s SER 82 Ca 0.19 0.20 -0.12 0.00 0.70 0.00 0.00 55.95 56.92 1azz s SER 82 Cb -0.07 0.32 0.12 0.00 -1.71 0.00 0.00 66.02 64.68 1azz s SER 82 CO 0.09 -0.16 1.13 0.42 1.20 0.00 0.00 173.24 175.92 1azz s THR 83 N -0.35 2.33 -0.57 6.45 -4.23 -0.72 -4.98 115.64 113.58 1azz s THR 83 Ca -0.04 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 1azz s THR 83 Cb -0.03 -2.86 0.41 0.00 1.34 0.00 0.00 72.50 71.36 1azz s THR 83 CO 0.01 -0.14 1.56 0.23 -0.54 0.00 0.00 174.62 175.73 1azz n MET 84 N -3.65 3.14 -3.15 3.99 0.00 -1.26 -4.81 117.12 111.39 1azz n MET 84 Ca 0.07 -3.94 -0.28 0.00 0.00 0.00 0.00 57.70 53.55 1azz n MET 84 Cb 0.58 -2.27 -0.02 0.00 0.00 0.00 0.00 33.22 31.51 1azz n MET 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1azz s MET 85 N -3.76 3.60 -0.23 0.03 -2.45 -1.26 -5.07 119.30 110.16 1azz s MET 85 Ca 0.53 0.04 -0.09 0.00 -1.25 0.00 0.00 55.69 54.91 1azz s MET 85 Cb 0.43 -2.56 -0.04 0.00 1.25 0.00 0.00 34.83 33.91 1azz s MET 85 CO -0.18 0.09 0.12 0.00 1.05 0.00 0.00 175.02 176.10 1azz s ALA 86 N -2.30 3.45 0.44 4.11 0.00 -1.26 -4.89 121.76 121.31 1azz s ALA 86 Ca 0.45 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 1azz s ALA 86 Cb -0.10 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1azz s ALA 86 CO 0.34 -0.21 0.69 0.00 0.00 0.00 0.00 175.76 176.59 1azz s PRO 88 N -4.59 4.14 0.46 0.00 0.02 -1.26 -4.94 135.00 128.83 1azz s PRO 88 Ca 0.46 2.53 -0.22 0.00 0.02 0.00 0.00 61.00 63.79 1azz s PRO 88 Cb -0.10 -3.01 -0.08 0.00 0.02 0.00 0.00 34.50 31.33 1azz s PRO 88 CO 0.41 -0.54 1.06 0.16 -0.33 0.00 0.00 177.00 177.76 1azz s ASP 89 N 0.11 6.42 0.00 2.53 -4.77 -1.26 -4.95 116.67 114.74 1azz s ASP 89 Ca 0.57 2.03 0.00 0.00 -3.30 0.00 0.00 52.55 51.85 1azz s ASP 89 Cb -0.46 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 38.79 1azz s ASP 89 CO 0.55 -0.73 0.00 0.61 0.70 0.00 0.00 175.17 176.30 1azz n GLY 90 N 0.06 -0.55 3.82 2.12 0.00 -1.26 -5.14 105.19 104.25 1azz n GLY 90 Ca 0.08 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 1azz n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1azz s LYS 91 N -1.22 4.22 0.55 1.61 1.02 -1.26 -5.06 119.74 119.59 1azz s LYS 91 Ca 0.00 1.03 -0.16 0.00 0.02 0.00 0.00 55.97 56.85 1azz s LYS 91 Cb 0.00 -2.34 -0.06 0.00 -0.52 0.00 0.00 37.83 34.91 1azz s LYS 91 CO 0.00 0.07 1.02 0.15 -0.92 0.00 0.00 175.35 175.67 1azz s LYS 92 N -2.95 3.62 0.09 1.68 1.02 -1.26 -4.98 119.74 116.96 1azz s LYS 92 Ca 0.58 1.11 0.03 0.00 0.02 0.00 0.00 55.97 57.71 1azz s LYS 92 Cb -0.11 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1azz s LYS 92 CO 0.16 -0.55 0.07 -1.83 -0.92 0.00 0.00 175.35 172.27 1azz s GLU 93 N -4.02 2.82 0.10 1.68 4.04 -0.13 -4.86 118.70 118.33 1azz s GLU 93 Ca 0.62 -0.73 -0.23 0.00 0.04 0.00 0.00 54.97 54.67 1azz s GLU 93 Cb -0.13 -2.69 -0.07 0.00 0.02 0.00 0.00 34.13 31.26 1azz s GLU 93 CO 0.33 0.56 0.71 0.15 -1.84 0.00 0.00 175.26 175.17 1azz s LYS 94 N -2.40 4.45 0.02 -4.83 -0.14 -1.26 -0.01 119.74 115.56 1azz s LYS 94 Ca 0.29 1.01 -0.09 0.00 -1.36 0.00 0.00 55.97 55.81 1azz s LYS 94 Cb -0.12 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 1azz s LYS 94 CO 0.21 0.51 0.18 -1.59 -0.76 0.00 0.00 175.35 173.90 1azz s LYS 95 N -0.81 0.62 -0.48 1.68 0.00 0.68 -4.90 119.74 116.52 1azz s LYS 95 Ca 0.34 -0.54 -0.21 0.00 0.00 0.00 0.00 55.97 55.56 1azz s LYS 95 Cb -0.21 0.26 0.04 0.00 0.00 0.00 0.00 37.83 37.91 1azz s LYS 95 CO 0.23 -0.17 0.72 0.12 0.00 0.00 0.00 175.35 176.25 1azz s PHE 96 N -2.11 3.00 -0.32 1.78 5.36 -1.26 0.20 117.98 124.63 1azz s PHE 96 Ca -0.09 -0.14 -0.17 0.00 -0.96 0.00 0.00 56.93 55.57 1azz s PHE 96 Cb -0.03 -3.59 -0.02 0.00 -0.34 0.00 0.00 43.02 39.04 1azz s PHE 96 CO -0.02 -1.03 0.47 0.08 -1.46 0.00 0.00 175.22 173.27 1azz s VAL 97 N 3.06 5.07 0.41 3.12 1.01 0.37 -4.93 120.40 128.52 1azz s VAL 97 Ca 0.23 0.45 -0.25 0.00 0.00 0.00 0.00 61.98 62.41 1azz s VAL 97 Cb -0.15 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 1azz s VAL 97 CO 0.18 -0.08 1.16 -0.89 0.00 0.00 0.00 175.10 175.47 1azz s THR 98 N 2.27 3.18 0.03 3.92 2.01 -1.26 -2.19 115.64 123.60 1azz s THR 98 Ca 0.18 0.96 -0.20 0.00 0.31 0.00 0.00 61.69 62.94 1azz s THR 98 Cb -0.16 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1azz s THR 98 CO 0.12 0.07 0.57 0.00 -0.69 0.00 0.00 174.62 174.69 1azz s ALA 99 N -1.45 3.55 -0.25 7.40 0.00 0.97 -3.96 121.76 128.01 1azz s ALA 99 Ca 0.58 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 1azz s ALA 99 Cb -0.30 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1azz s ALA 99 CO 0.37 0.30 1.16 -0.47 0.00 0.00 0.00 175.76 177.12 1azz s TYR 100 N -0.69 3.01 -2.22 0.00 5.04 -0.09 -4.70 117.35 117.70 1azz s TYR 100 Ca 0.30 1.14 0.23 0.00 -2.44 0.00 0.00 57.07 56.30 1azz s TYR 100 Cb -0.19 -3.59 0.55 0.00 0.35 0.00 0.00 41.96 39.08 1azz s TYR 100 CO 0.18 -1.15 1.48 1.28 -1.34 0.00 0.00 175.55 176.00 1azz n LEU 101 N 6.84 3.70 0.00 6.97 4.77 -1.26 -3.11 117.00 134.91 1azz n LEU 101 Ca 0.13 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 1azz n LEU 101 Cb 0.46 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1azz n LEU 101 CO 0.57 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 1azz n GLY 102 N 1.59 0.99 0.00 -0.72 0.00 -1.26 -2.93 105.19 102.86 1azz n GLY 102 Ca 0.22 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.60 1azz n GLY 102 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1azz n ASP 103 N 1.24 0.00 -4.91 1.61 5.75 -1.26 -4.82 116.55 114.16 1azz n ASP 103 Ca 0.00 -0.47 -0.27 0.00 -0.01 0.00 0.00 54.79 54.04 1azz n ASP 103 Cb 0.00 -0.13 0.01 0.00 -1.03 0.00 0.00 41.12 39.97 1azz n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1azz s ALA 104 N -2.27 3.34 0.00 2.12 0.00 -1.15 -4.54 121.76 119.26 1azz s ALA 104 Ca 0.32 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1azz s ALA 104 Cb 0.17 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1azz s ALA 104 CO 0.34 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1azz n GLY 105 N -2.43 2.29 3.47 0.00 0.00 -1.26 -4.69 105.19 102.57 1azz n GLY 105 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1azz n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1azz s MET 106 N -0.37 3.07 0.34 1.61 1.00 -1.26 -0.91 119.30 122.79 1azz s MET 106 Ca 0.00 -0.86 0.08 0.00 0.00 0.00 0.00 55.69 54.91 1azz s MET 106 Cb 0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 34.83 30.81 1azz s MET 106 CO 0.00 -0.88 0.28 -0.51 0.00 0.00 0.00 175.02 173.92 1azz s LEU 107 N 2.06 3.54 0.40 -0.03 1.43 0.59 -4.90 118.68 121.78 1azz s LEU 107 Ca 0.11 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 52.44 1azz s LEU 107 Cb -0.18 -2.14 -0.11 0.00 0.03 0.00 0.00 46.19 43.79 1azz s LEU 107 CO 0.12 -0.38 0.94 0.00 0.23 0.00 0.00 176.35 177.26 1azz s ARG 108 N -3.99 4.29 -0.30 1.70 1.70 -1.26 -1.06 118.95 120.02 1azz s ARG 108 Ca 0.41 1.14 -0.28 0.00 -0.47 0.00 0.00 55.73 56.53 1azz s ARG 108 Cb -0.05 -2.32 0.01 0.00 -0.57 0.00 0.00 34.95 32.02 1azz s ARG 108 CO 0.26 0.04 1.02 -0.47 -1.08 0.00 0.00 175.30 175.08 1azz s TYR 109 N -2.06 3.19 -0.29 5.89 6.14 -1.19 -4.69 117.35 124.34 1azz s TYR 109 Ca 0.59 1.18 -0.04 0.00 0.64 0.00 0.00 57.07 59.45 1azz s TYR 109 Cb -0.11 -3.54 0.10 0.00 0.42 0.00 0.00 41.96 38.83 1azz s TYR 109 CO 0.15 -0.68 0.14 1.21 0.64 0.00 0.00 175.55 177.01 1azz s ASN 110 N 1.57 3.46 0.00 4.32 2.47 -1.26 -4.84 114.94 120.66 1azz s ASN 110 Ca 0.43 -1.32 0.12 0.00 0.42 0.00 0.00 52.86 52.51 1azz s ASN 110 Cb -0.13 -0.33 0.54 0.00 -1.45 0.00 0.00 41.25 39.88 1azz s ASN 110 CO 0.13 -0.43 1.38 -1.54 -3.72 0.00 0.00 177.10 172.92 1azz n SER 111 N 5.19 0.00 0.21 -4.21 3.41 -1.26 -3.18 113.62 113.78 1azz n SER 111 Ca -0.05 0.44 0.08 0.00 -0.26 0.00 0.00 58.87 59.09 1azz n SER 111 Cb 0.42 -0.47 0.45 0.00 -0.26 0.00 0.00 64.21 64.35 1azz n SER 111 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1azz h LYS 112 N 0.00 0.00 -5.06 4.33 1.57 -1.95 -3.44 116.57 112.03 1azz h LYS 112 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1azz h LYS 112 Cb 0.20 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.31 1azz h LYS 112 CO 0.00 0.27 -0.75 -0.51 -0.57 0.00 0.00 179.45 177.89 1azz s LEU 113 N -7.03 2.33 0.49 2.94 1.02 -1.19 -5.14 118.68 112.10 1azz s LEU 113 Ca -0.00 -0.70 -0.18 0.00 0.02 0.00 0.00 54.13 53.27 1azz s LEU 113 Cb 0.11 -0.37 -0.09 0.00 0.02 0.00 0.00 46.19 45.86 1azz s LEU 113 CO 0.65 -0.18 0.98 -2.16 0.02 0.00 0.00 176.35 175.66 1azz s PRO 114 N -2.21 4.02 -0.23 1.29 0.04 -1.26 -4.72 135.00 131.93 1azz s PRO 114 Ca 0.00 1.03 -0.21 0.00 0.04 0.00 0.00 61.00 61.87 1azz s PRO 114 Cb -0.07 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1azz s PRO 114 CO 0.01 -0.21 0.63 0.42 0.04 0.00 0.00 177.00 177.88 1azz s ILE 115 N -2.45 5.00 -0.21 0.56 1.01 0.18 -4.92 121.20 120.38 1azz s ILE 115 Ca 0.60 1.16 -0.02 0.00 0.00 0.00 0.00 60.65 62.39 1azz s ILE 115 Cb -0.10 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1azz s ILE 115 CO 0.25 0.07 -0.11 -0.69 0.00 0.00 0.00 174.94 174.46 1azz s VAL 116 N 2.22 2.78 -0.09 2.92 1.01 -1.26 -1.15 120.40 126.84 1azz s VAL 116 Ca 0.27 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1azz s VAL 116 Cb -0.16 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 1azz s VAL 116 CO 0.09 0.44 -0.24 -0.69 0.00 0.00 0.00 175.10 174.70 1azz s VAL 117 N 1.38 2.05 -0.16 2.92 1.01 -0.04 -0.86 120.40 126.69 1azz s VAL 117 Ca 0.05 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1azz s VAL 117 Cb -0.14 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1azz s VAL 117 CO -0.07 0.56 0.08 -0.31 0.00 0.00 0.00 175.10 175.35 1azz s TYR 118 N 0.28 3.32 0.27 5.22 1.51 -0.25 -0.57 117.35 127.12 1azz s TYR 118 Ca -0.17 0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.11 1azz s TYR 118 Cb -0.17 -2.02 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 1azz s TYR 118 CO 0.08 0.32 0.10 0.95 -1.11 0.00 0.00 175.55 175.89 1azz s THR 119 N -0.06 0.60 0.43 -0.71 -4.23 -0.32 -1.69 115.64 109.66 1azz s THR 119 Ca 0.07 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.34 1azz s THR 119 Cb -0.12 -2.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.97 1azz s THR 119 CO 0.01 0.00 0.97 -2.65 -0.54 0.00 0.00 174.62 172.41 1azz n PRO 120 N -0.49 1.26 0.30 3.99 -0.01 -1.26 0.08 135.00 138.88 1azz n PRO 120 Ca -0.00 0.45 0.20 0.00 -0.01 0.00 0.00 63.50 64.14 1azz n PRO 120 Cb 0.66 -2.00 1.01 0.00 -0.01 0.00 0.00 33.50 33.16 1azz n PRO 120 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 175.50 175.87 1azz h ASP 121 N 1.42 0.00 -0.60 2.55 3.04 -1.41 -1.97 116.42 119.45 1azz h ASP 121 Ca -0.44 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 1azz h ASP 121 Cb 1.34 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.63 1azz h ASP 121 CO 0.56 0.00 0.00 -0.46 -2.04 0.00 0.00 179.24 177.30 1azz n ASN 122 N -2.99 4.46 -4.50 4.15 6.94 -1.26 -4.91 115.26 117.16 1azz n ASN 122 Ca -0.02 -2.42 -0.26 0.00 -0.02 0.00 0.00 54.58 51.86 1azz n ASN 122 Cb 0.13 -0.56 -0.10 0.00 -2.36 0.00 0.00 39.78 36.89 1azz n ASN 122 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1azz s VAL 123 N -1.85 2.76 0.19 3.53 -7.23 -0.74 -4.73 120.40 112.33 1azz s VAL 123 Ca 0.47 -1.97 0.10 0.00 -1.81 0.00 0.00 61.98 58.77 1azz s VAL 123 Cb 0.31 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 1azz s VAL 123 CO 0.23 -0.19 -0.20 -1.81 -0.31 0.00 0.00 175.10 172.81 1azz s ASP 124 N -2.97 3.02 -0.20 4.85 1.01 0.04 -4.85 116.67 117.56 1azz s ASP 124 Ca 0.25 -0.89 0.01 0.00 0.71 0.00 0.00 52.55 52.62 1azz s ASP 124 Cb -0.08 -0.20 0.02 0.00 1.01 0.00 0.00 42.92 43.67 1azz s ASP 124 CO 0.13 0.02 -0.16 -0.69 0.21 0.00 0.00 175.17 174.68 1azz s VAL 125 N -2.02 2.28 0.47 -1.27 1.01 -1.26 -1.33 120.40 118.28 1azz s VAL 125 Ca 0.19 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1azz s VAL 125 Cb -0.06 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1azz s VAL 125 CO 0.09 0.43 0.01 -0.54 0.00 0.00 0.00 175.10 175.08 1azz s LYS 126 N 1.29 2.11 0.18 2.72 1.02 0.13 -5.01 119.74 122.17 1azz s LYS 126 Ca 0.03 -2.28 -0.20 0.00 0.02 0.00 0.00 55.97 53.54 1azz s LYS 126 Cb -0.14 -1.58 0.05 0.00 -0.52 0.00 0.00 37.83 35.63 1azz s LYS 126 CO -0.10 -0.24 0.56 1.52 -0.92 0.00 0.00 175.35 176.16 1azz s TYR 127 N -2.81 -0.34 0.00 3.18 1.13 -1.26 -1.36 117.35 115.90 1azz s TYR 127 Ca 0.18 0.05 0.01 0.00 -1.41 0.00 0.00 57.07 55.89 1azz s TYR 127 Cb 0.05 0.48 -0.00 0.00 -1.10 0.00 0.00 41.96 41.38 1azz s TYR 127 CO 0.09 -0.88 -0.03 0.50 -2.51 0.00 0.00 175.55 172.72 1azz s ARG 128 N -3.81 0.25 0.07 -3.49 3.52 -0.73 -4.95 118.95 109.81 1azz s ARG 128 Ca 0.04 -0.17 -0.09 0.00 -0.13 0.00 0.00 55.73 55.39 1azz s ARG 128 Cb -0.01 -0.21 -0.06 0.00 -1.56 0.00 0.00 34.95 33.11 1azz s ARG 128 CO -0.08 0.06 0.38 0.08 -0.81 0.00 0.00 175.30 174.93 1azz s VAL 129 N -0.21 5.12 -0.04 7.11 1.01 -1.26 -0.97 120.40 131.15 1azz s VAL 129 Ca -0.00 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.43 1azz s VAL 129 Cb -0.02 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1azz s VAL 129 CO -0.00 0.29 -0.18 0.26 0.00 0.00 0.00 175.10 175.47 1azz s TRP 130 N -1.39 2.59 -0.11 5.22 0.52 -0.59 -4.95 118.94 120.24 1azz s TRP 130 Ca 0.32 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 56.22 1azz s TRP 130 Cb -0.14 -1.59 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 1azz s TRP 130 CO 0.18 0.12 -0.18 0.21 0.02 0.00 0.00 176.95 177.30 1azz s LYS 131 N -0.70 3.16 0.27 4.98 2.36 -1.26 -1.01 119.74 127.53 1azz s LYS 131 Ca 0.11 -0.77 -0.28 0.00 -2.55 0.00 0.00 55.97 52.48 1azz s LYS 131 Cb -0.10 -2.47 -0.09 0.00 -1.05 0.00 0.00 37.83 34.12 1azz s LYS 131 CO 0.00 0.24 0.92 0.00 1.55 0.00 0.00 175.35 178.06 1azz s ALA 132 N 0.25 3.29 0.58 3.13 0.00 0.03 -5.00 121.76 124.04 1azz s ALA 132 Ca -0.12 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 1azz s ALA 132 Cb -0.16 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1azz s ALA 132 CO 0.06 0.20 1.10 -1.21 0.00 0.00 0.00 175.76 175.92 1azz s GLU 133 N -1.58 3.20 0.23 0.00 0.41 -1.26 -4.99 118.70 114.72 1azz s GLU 133 Ca 0.45 1.46 0.20 0.00 -0.41 0.00 0.00 54.97 56.67 1azz s GLU 133 Cb -0.22 -2.00 0.04 0.00 -1.78 0.00 0.00 34.13 30.17 1azz s GLU 133 CO 0.28 -0.94 1.15 1.05 -0.49 0.00 0.00 175.26 176.31 1azz h GLU 134 N 0.73 0.00 -5.68 1.61 4.11 -2.01 -3.44 114.58 109.90 1azz h GLU 134 Ca -0.48 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.34 1azz h GLU 134 Cb 1.25 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 1azz h GLU 134 CO 0.56 0.12 0.34 0.21 0.07 0.00 0.00 179.01 180.32 1azz s LYS 135 N -3.19 4.11 0.01 1.06 2.36 -1.26 -5.02 119.74 117.81 1azz s LYS 135 Ca 0.01 0.72 -0.11 0.00 -2.55 0.00 0.00 55.97 54.04 1azz s LYS 135 Cb 0.08 -3.67 -0.05 0.00 -1.05 0.00 0.00 37.83 33.14 1azz s LYS 135 CO 0.77 -0.52 0.35 0.42 1.55 0.00 0.00 175.35 177.92 1azz s ILE 136 N 2.74 5.15 0.37 5.43 1.01 -1.26 -5.09 121.20 129.55 1azz s ILE 136 Ca 0.31 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.54 1azz s ILE 136 Cb -0.15 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1azz s ILE 136 CO 0.09 0.46 0.11 -0.62 0.00 0.00 0.00 174.94 174.98 1azz s ASP 137 N -1.37 2.51 0.08 3.58 -1.08 -1.26 -5.16 116.67 113.96 1azz s ASP 137 Ca 0.26 -1.57 0.05 0.00 -0.52 0.00 0.00 52.55 50.78 1azz s ASP 137 Cb -0.15 0.32 -0.04 0.00 -1.46 0.00 0.00 42.92 41.59 1azz s ASP 137 CO 0.14 -0.83 -0.05 0.20 0.52 0.00 0.00 175.17 175.15 1azz s ASN 138 N -3.54 4.70 0.46 -0.34 -0.87 -1.26 -5.12 114.94 108.96 1azz s ASN 138 Ca 0.29 -0.25 -0.11 0.00 -1.57 0.00 0.00 52.86 51.22 1azz s ASN 138 Cb 0.05 -1.03 -0.06 0.00 -0.02 0.00 0.00 41.25 40.18 1azz s ASN 138 CO 0.15 0.20 0.84 0.00 -2.57 0.00 0.00 177.10 175.71 1azz s ALA 139 N -1.21 3.28 -0.04 0.60 0.00 -1.26 -5.09 121.76 118.05 1azz s ALA 139 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 1azz s ALA 139 Cb -0.11 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1azz s ALA 139 CO 0.14 -0.18 0.04 0.08 0.00 0.00 0.00 175.76 175.84 1azz s VAL 140 N -2.56 4.52 -0.24 0.00 1.01 -1.26 -5.07 120.40 116.80 1azz s VAL 140 Ca 0.52 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 1azz s VAL 140 Cb -0.10 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1azz s VAL 140 CO 0.36 0.47 0.73 0.54 0.00 0.00 0.00 175.10 177.20 1azz s VAL 141 N -1.05 4.91 0.00 2.92 0.11 -1.26 -5.37 120.40 120.66 1azz s VAL 141 Ca 0.18 1.37 0.00 0.00 -2.93 0.00 0.00 61.98 60.60 1azz s VAL 141 Cb -0.12 -4.03 0.00 0.00 -1.53 0.00 0.00 36.38 30.70 1azz s VAL 141 CO 0.08 -0.02 0.00 0.54 -3.33 0.00 0.00 175.10 172.38