#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azz s PRO 6 N 0.00 4.16 0.42 -1.09 0.04 -1.26 -4.85 135.00 132.43 1azz s PRO 6 Ca 0.00 2.50 0.19 0.00 0.04 0.00 0.00 61.00 63.73 1azz s PRO 6 Cb 0.00 -3.33 1.13 0.00 0.04 0.00 0.00 34.50 32.34 1azz s PRO 6 CO 0.00 -0.74 1.82 1.25 0.04 0.00 0.00 177.00 179.37 1azz h LEU 7 N 7.60 0.39 -2.02 -3.56 5.85 -2.02 0.28 115.31 121.82 1azz h LEU 7 Ca -0.44 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.42 1azz h LEU 7 Cb 1.21 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1azz h LEU 7 CO 0.94 0.12 0.21 -0.33 -0.34 0.00 0.00 178.44 179.04 1azz h GLU 8 N 0.37 0.00 0.00 1.25 3.07 -1.89 0.20 114.58 117.58 1azz h GLU 8 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1azz h GLU 8 Cb 1.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 1azz h GLU 8 CO -0.21 0.00 0.00 0.36 -1.40 0.00 0.00 179.01 177.76 1azz n LYS 9 N -4.38 0.16 -0.05 2.33 2.85 0.09 -3.76 118.16 115.39 1azz n LYS 9 Ca 0.04 0.27 -0.03 0.00 -1.05 0.00 0.00 58.31 57.54 1azz n LYS 9 Cb 0.38 -1.74 -0.01 0.00 -0.65 0.00 0.00 35.03 33.00 1azz n LYS 9 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1azz n ILE 10 N -2.03 0.97 -3.81 0.58 5.41 0.04 -5.06 119.36 115.47 1azz n ILE 10 Ca 0.04 0.31 -0.10 0.00 1.00 0.00 0.00 62.75 64.00 1azz n ILE 10 Cb 0.30 -2.11 -0.05 0.00 -0.71 0.00 0.00 39.64 37.06 1azz n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1azz s ALA 11 N -2.82 -0.55 -1.50 -1.39 0.00 -1.12 -5.04 121.76 109.34 1azz s ALA 11 Ca -0.10 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 1azz s ALA 11 Cb 0.01 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1azz s ALA 11 CO 0.15 -0.71 2.48 -0.35 0.00 0.00 0.00 175.76 177.33 1azz n PRO 12 N -0.26 3.34 -2.17 0.00 -0.04 -1.26 -4.31 135.00 130.29 1azz n PRO 12 Ca -0.10 -2.59 -0.41 0.00 -0.04 0.00 0.00 63.50 60.36 1azz n PRO 12 Cb 0.63 -3.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.02 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 2.30 3.17 0.72 0.54 2.02 -1.26 -4.91 117.35 119.92 1azz s TYR 13 Ca 0.55 1.33 -0.16 0.00 -0.37 0.00 0.00 57.07 58.41 1azz s TYR 13 Cb 0.15 -3.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.04 1azz s TYR 13 CO -0.07 -1.84 0.49 -2.30 -1.57 0.00 0.00 175.55 170.26 1azz n PRO 14 N 1.67 0.29 -2.54 -1.71 -0.02 -1.26 -4.96 135.00 126.47 1azz n PRO 14 Ca 0.03 0.14 -0.38 0.00 -2.02 0.00 0.00 63.50 61.27 1azz n PRO 14 Cb 0.42 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 1azz n PRO 14 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1azz s GLN 15 N -2.67 4.38 0.33 -0.52 -1.52 -1.26 -4.99 119.66 113.40 1azz s GLN 15 Ca 0.65 1.60 -0.27 0.00 -1.95 0.00 0.00 55.36 55.39 1azz s GLN 15 Cb -0.35 -2.81 -0.09 0.00 -0.22 0.00 0.00 33.01 29.53 1azz s GLN 15 CO 0.58 0.03 1.09 0.00 -0.25 0.00 0.00 175.29 176.74 1azz s ALA 16 N -1.46 3.28 1.13 6.09 0.00 -1.26 -5.02 121.76 124.51 1azz s ALA 16 Ca 0.52 0.84 -0.17 0.00 0.00 0.00 0.00 51.96 53.15 1azz s ALA 16 Cb -0.25 -3.31 0.25 0.00 0.00 0.00 0.00 23.12 19.80 1azz s ALA 16 CO 0.32 -0.21 1.11 -1.21 0.00 0.00 0.00 175.76 175.78 1azz s GLU 17 N -1.86 -0.61 -0.06 0.00 8.01 -1.26 -4.87 118.70 118.06 1azz s GLU 17 Ca 0.50 0.12 -0.30 0.00 0.01 0.00 0.00 54.97 55.30 1azz s GLU 17 Cb -0.29 -1.65 -0.06 0.00 -4.31 0.00 0.00 34.13 27.82 1azz s GLU 17 CO 0.36 -3.34 1.78 0.15 0.01 0.00 0.00 175.26 174.22 1azz s LYS 18 N -5.27 4.06 0.00 1.61 -0.14 -1.26 -1.30 119.74 117.45 1azz s LYS 18 Ca 0.69 2.25 0.00 0.00 -1.36 0.00 0.00 55.97 57.55 1azz s LYS 18 Cb -0.13 -4.07 0.00 0.00 -1.68 0.00 0.00 37.83 31.95 1azz s LYS 18 CO 0.56 -1.01 0.00 0.41 -0.76 0.00 0.00 175.35 174.56 1azz n GLY 19 N 4.42 0.82 3.53 -3.33 0.00 -1.26 -5.06 105.19 104.31 1azz n GLY 19 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.68 1.81 0.06 1.61 1.00 -0.42 -1.37 119.30 121.31 1azz s MET 20 Ca 0.00 -1.88 -0.00 0.00 0.00 0.00 0.00 55.69 53.81 1azz s MET 20 Cb 0.00 -1.74 -0.04 0.00 0.00 0.00 0.00 34.83 33.05 1azz s MET 20 CO 0.00 0.19 -0.04 -1.59 0.00 0.00 0.00 175.02 173.58 1azz s LYS 21 N -3.59 0.64 -0.10 2.03 -2.85 -0.33 -4.53 119.74 111.02 1azz s LYS 21 Ca 0.32 -1.19 0.01 0.00 -1.00 0.00 0.00 55.97 54.11 1azz s LYS 21 Cb 0.00 0.08 -0.02 0.00 -2.06 0.00 0.00 37.83 35.83 1azz s LYS 21 CO 0.16 -0.08 -0.13 0.50 0.10 0.00 0.00 175.35 175.91 1azz s ARG 22 N -3.63 3.07 0.01 1.78 3.52 -1.26 -1.90 118.95 120.54 1azz s ARG 22 Ca 0.06 -0.67 0.07 0.00 -0.13 0.00 0.00 55.73 55.06 1azz s ARG 22 Cb 0.05 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.86 1azz s ARG 22 CO -0.08 0.38 -0.21 -0.65 -0.81 0.00 0.00 175.30 173.93 1azz s GLN 23 N -0.08 1.58 -0.02 5.12 -0.21 0.51 -4.98 119.66 121.58 1azz s GLN 23 Ca -0.02 -0.84 0.05 0.00 0.02 0.00 0.00 55.36 54.57 1azz s GLN 23 Cb -0.14 -1.60 -0.01 0.00 1.00 0.00 0.00 33.01 32.26 1azz s GLN 23 CO 0.04 0.43 -0.18 0.08 -2.12 0.00 0.00 175.29 173.53 1azz s VAL 24 N -0.63 1.42 -0.02 1.09 1.01 -1.26 -0.71 120.40 121.29 1azz s VAL 24 Ca 0.08 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1azz s VAL 24 Cb -0.08 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1azz s VAL 24 CO 0.00 0.40 -0.20 -0.63 0.00 0.00 0.00 175.10 174.68 1azz s ILE 25 N -0.38 2.61 -0.10 2.22 1.01 0.22 -4.97 121.20 121.81 1azz s ILE 25 Ca 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1azz s ILE 25 Cb -0.07 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.43 1azz s ILE 25 CO -0.00 0.55 -0.09 -1.58 0.00 0.00 0.00 174.94 173.82 1azz s GLN 26 N -0.79 1.56 0.06 2.79 2.00 -1.26 -1.27 119.66 122.74 1azz s GLN 26 Ca 0.11 -0.29 -0.00 0.00 -2.00 0.00 0.00 55.36 53.18 1azz s GLN 26 Cb -0.10 -1.53 -0.04 0.00 0.80 0.00 0.00 33.01 32.13 1azz s GLN 26 CO 0.01 -0.19 0.20 -0.51 -0.50 0.00 0.00 175.29 174.30 1azz s LEU 27 N 1.43 4.34 0.40 3.68 1.43 -1.26 -5.07 118.68 123.63 1azz s LEU 27 Ca -0.00 0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 53.10 1azz s LEU 27 Cb -0.13 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.08 1azz s LEU 27 CO -0.05 0.18 1.35 0.42 0.23 0.00 0.00 176.35 178.47 1azz s THR 28 N -1.49 2.46 0.30 5.49 -4.23 -1.26 -4.72 115.64 112.19 1azz s THR 28 Ca 0.34 0.43 -0.29 0.00 -1.18 0.00 0.00 61.69 60.99 1azz s THR 28 Cb -0.13 -3.26 -0.10 0.00 1.34 0.00 0.00 72.50 70.35 1azz s THR 28 CO 0.27 0.08 1.40 -2.84 -0.54 0.00 0.00 174.62 172.98 1azz s PRO 29 N -2.18 4.28 0.36 3.99 0.02 -1.26 -4.69 135.00 135.51 1azz s PRO 29 Ca 0.56 2.31 0.04 0.00 0.02 0.00 0.00 61.00 63.93 1azz s PRO 29 Cb -0.40 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 30.99 1azz s PRO 29 CO 0.53 -0.35 0.07 -0.65 -0.33 0.00 0.00 177.00 176.27 1azz s GLN 30 N -1.22 1.76 0.00 5.54 -1.52 -1.26 -5.11 119.66 117.84 1azz s GLN 30 Ca 0.54 -2.01 0.00 0.00 -1.95 0.00 0.00 55.36 51.94 1azz s GLN 30 Cb -0.42 -0.85 0.00 0.00 -0.22 0.00 0.00 33.01 31.52 1azz s GLN 30 CO 0.50 -0.27 0.14 -0.85 -0.25 0.00 0.00 175.29 174.56 1azz n GLU 31 N -0.78 0.00 -3.37 2.91 0.28 -1.26 -4.53 120.64 113.89 1azz n GLU 31 Ca -0.04 0.02 -0.43 0.00 -0.16 0.00 0.00 57.16 56.54 1azz n GLU 31 Cb 0.66 -0.65 -0.09 0.00 1.43 0.00 0.00 31.44 32.79 1azz n GLU 31 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1azz s ASP 32 N -1.32 6.16 0.00 -1.84 1.47 -1.26 -4.84 116.67 115.04 1azz s ASP 32 Ca 0.00 -0.95 0.29 0.00 1.18 0.00 0.00 52.55 53.06 1azz s ASP 32 Cb 0.00 -2.20 1.23 0.00 -0.34 0.00 0.00 42.92 41.61 1azz s ASP 32 CO 0.00 -0.59 1.90 -0.62 0.68 0.00 0.00 175.17 176.54 1azz n GLU 33 N 5.41 0.16 0.22 2.11 1.02 -1.26 -3.59 120.64 124.71 1azz n GLU 33 Ca -0.10 -0.02 0.07 0.00 -0.02 0.00 0.00 57.16 57.09 1azz n GLU 33 Cb 0.46 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.90 1azz n GLU 33 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1azz h SER 34 N 0.05 0.00 -0.82 1.62 4.64 -1.88 -1.38 113.55 115.78 1azz h SER 34 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1azz h SER 34 Cb 0.44 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.33 1azz h SER 34 CO 0.00 0.23 0.41 0.35 -0.87 0.00 0.00 176.83 176.96 1azz n THR 35 N -3.96 2.97 -4.15 2.95 -2.24 -1.24 -4.92 114.28 103.69 1azz n THR 35 Ca -0.02 -1.67 -0.16 0.00 -2.27 0.00 0.00 64.05 59.93 1azz n THR 35 Cb 0.31 -0.42 -0.12 0.00 -2.10 0.00 0.00 70.33 68.00 1azz n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1azz s LEU 36 N -3.00 2.20 0.04 3.22 1.43 -0.52 -1.15 118.68 120.90 1azz s LEU 36 Ca 0.54 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1azz s LEU 36 Cb 0.44 -0.31 -0.03 0.00 0.03 0.00 0.00 46.19 46.32 1azz s LEU 36 CO 0.12 -0.09 -0.01 -0.54 0.23 0.00 0.00 176.35 176.06 1azz s LYS 37 N -1.24 0.52 -0.16 1.70 1.02 -0.44 -3.15 119.74 117.99 1azz s LYS 37 Ca -0.05 -0.98 -0.01 0.00 0.02 0.00 0.00 55.97 54.95 1azz s LYS 37 Cb -0.08 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 37.40 1azz s LYS 37 CO 0.01 -0.10 -0.10 0.08 -0.92 0.00 0.00 175.35 174.32 1azz s VAL 38 N -3.03 3.13 -0.18 3.17 1.01 0.06 -0.47 120.40 124.10 1azz s VAL 38 Ca -0.01 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1azz s VAL 38 Cb 0.01 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1azz s VAL 38 CO -0.07 0.49 0.31 -0.70 0.00 0.00 0.00 175.10 175.14 1azz s GLU 39 N 0.77 4.23 -0.18 2.72 2.12 0.24 -0.27 118.70 128.34 1azz s GLU 39 Ca -0.04 0.10 -0.19 0.00 0.36 0.00 0.00 54.97 55.19 1azz s GLU 39 Cb -0.15 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1azz s GLU 39 CO 0.01 0.15 0.56 -0.51 -0.54 0.00 0.00 175.26 174.94 1azz s LEU 40 N 0.73 4.18 -0.49 2.70 1.43 -0.50 -1.73 118.68 124.99 1azz s LEU 40 Ca 0.16 0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 53.96 1azz s LEU 40 Cb -0.13 -2.79 0.12 0.00 0.03 0.00 0.00 46.19 43.42 1azz s LEU 40 CO 0.05 -0.18 0.36 -0.76 0.23 0.00 0.00 176.35 176.05 1azz s LEU 41 N 1.51 5.70 -0.08 1.79 1.43 0.12 -4.86 118.68 124.29 1azz s LEU 41 Ca 0.27 -1.99 -0.04 0.00 -1.03 0.00 0.00 54.13 51.33 1azz s LEU 41 Cb -0.16 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1azz s LEU 41 CO 0.10 -0.67 0.11 -0.63 0.23 0.00 0.00 176.35 175.49 1azz s ILE 42 N 1.25 5.11 -0.01 -0.59 1.01 -1.26 -0.61 121.20 126.10 1azz s ILE 42 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 1azz s ILE 42 Cb -0.25 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 38.98 1azz s ILE 42 CO -0.01 0.53 0.21 0.61 0.00 0.00 0.00 174.94 176.28 1azz n GLY 43 N 1.74 0.51 3.43 6.18 0.00 -0.38 -0.31 105.19 116.36 1azz n GLY 43 Ca -0.17 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 1.66 -0.22 1.61 -0.21 -0.83 -0.50 119.66 119.17 1azz s GLN 44 Ca 0.05 -1.22 -0.18 0.00 0.02 0.00 0.00 55.36 54.04 1azz s GLN 44 Cb -0.00 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.96 1azz s GLN 44 CO -0.00 0.48 0.48 0.99 -2.12 0.00 0.00 175.29 175.12 1azz s THR 45 N -1.05 5.12 0.17 -0.19 2.01 -1.26 -0.41 115.64 120.03 1azz s THR 45 Ca 0.15 0.86 -0.05 0.00 0.31 0.00 0.00 61.69 62.97 1azz s THR 45 Cb -0.10 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1azz s THR 45 CO 0.07 0.17 0.19 -1.48 -0.69 0.00 0.00 174.62 172.88 1azz s LEU 46 N 1.76 1.20 -0.25 4.42 0.05 0.66 -4.89 118.68 121.63 1azz s LEU 46 Ca 0.22 -1.13 -0.27 0.00 0.05 0.00 0.00 54.13 53.00 1azz s LEU 46 Cb -0.15 0.75 0.01 0.00 -2.05 0.00 0.00 46.19 44.75 1azz s LEU 46 CO 0.09 -0.86 0.95 -1.83 -0.55 0.00 0.00 176.35 174.16 1azz s GLU 47 N -4.05 4.19 0.08 1.48 4.04 -1.26 -0.50 118.70 122.68 1azz s GLU 47 Ca 0.26 1.13 0.08 0.00 0.04 0.00 0.00 54.97 56.48 1azz s GLU 47 Cb 0.05 -3.66 -0.03 0.00 0.02 0.00 0.00 34.13 30.51 1azz s GLU 47 CO 0.05 -0.63 -0.20 0.08 -1.84 0.00 0.00 175.26 172.72 1azz s VAL 48 N 3.11 1.67 0.00 1.83 1.01 0.73 -4.88 120.40 123.87 1azz s VAL 48 Ca 0.40 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1azz s VAL 48 Cb -0.15 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1azz s VAL 48 CO 0.08 0.01 0.00 -0.90 0.00 0.00 0.00 175.10 174.29 1azz n ASP 49 N 1.33 0.00 -0.36 3.32 5.75 -1.26 -0.91 116.55 124.42 1azz n ASP 49 Ca -0.19 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.72 1azz n ASP 49 Cb 0.54 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 40.98 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 -2.36 5.77 0.10 0.00 0.01 -1.26 -4.99 114.94 112.21 1azz s ASN 51 Ca 0.27 1.65 -0.31 0.00 -0.71 0.00 0.00 52.86 53.76 1azz s ASN 51 Cb 0.20 -2.51 -0.07 0.00 0.41 0.00 0.00 41.25 39.28 1azz s ASN 51 CO 0.47 -1.18 1.23 -0.76 -1.51 0.00 0.00 177.10 175.35 1azz s LEU 52 N -4.98 4.39 0.03 0.60 1.02 -1.26 -4.82 118.68 113.65 1azz s LEU 52 Ca 0.59 2.11 0.09 0.00 0.02 0.00 0.00 54.13 56.94 1azz s LEU 52 Cb -0.14 -3.59 -0.03 0.00 0.02 0.00 0.00 46.19 42.46 1azz s LEU 52 CO 0.46 -0.47 -0.25 -1.00 0.02 0.00 0.00 176.35 175.11 1azz s HIS 53 N 0.80 2.21 0.22 0.29 3.76 -1.26 -1.50 115.29 119.81 1azz s HIS 53 Ca 0.58 -0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 54.99 1azz s HIS 53 Cb -0.31 -1.35 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 1azz s HIS 53 CO 0.31 0.08 0.37 0.50 -0.85 0.00 0.00 174.74 175.15 1azz s ARG 54 N -1.07 1.39 -0.21 1.40 6.06 -1.08 -4.91 118.95 120.54 1azz s ARG 54 Ca 0.10 -1.30 -0.15 0.00 -2.50 0.00 0.00 55.73 51.88 1azz s ARG 54 Cb -0.10 0.41 0.06 0.00 0.06 0.00 0.00 34.95 35.39 1azz s ARG 54 CO 0.01 -0.55 0.54 -1.17 -2.50 0.00 0.00 175.30 171.64 1azz s LEU 55 N -3.03 -0.29 0.23 -0.88 2.96 -1.26 -0.70 118.68 115.72 1azz s LEU 55 Ca 0.24 1.13 0.06 0.00 -0.22 0.00 0.00 54.13 55.35 1azz s LEU 55 Cb 0.02 1.83 -0.03 0.00 0.50 0.00 0.00 46.19 48.51 1azz s LEU 55 CO 0.07 -0.20 0.23 -0.83 -1.32 0.00 0.00 176.35 174.30 1azz s GLY 56 N 0.93 1.43 0.02 7.98 0.00 -1.26 -0.96 107.32 115.45 1azz s GLY 56 Ca -0.05 -1.32 -0.28 0.00 0.00 0.00 0.00 44.72 43.07 1azz s GLY 56 CO -0.08 -1.35 0.95 -0.32 0.00 0.00 0.00 173.10 172.30 1azz s GLY 57 N -3.72 -0.39 -0.11 0.20 0.00 -1.16 -1.26 107.32 100.88 1azz s GLY 57 Ca 0.33 0.83 0.01 0.00 0.00 0.00 0.00 44.72 45.89 1azz s GLY 57 CO 0.26 0.26 -0.14 0.54 0.00 0.00 0.00 173.10 174.02 1azz s LYS 58 N -3.07 3.19 -0.22 2.90 1.02 -0.02 -4.41 119.74 119.13 1azz s LYS 58 Ca 0.07 -0.70 -0.08 0.00 0.02 0.00 0.00 55.97 55.29 1azz s LYS 58 Cb -0.01 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1azz s LYS 58 CO -0.06 0.30 0.08 -1.17 -0.92 0.00 0.00 175.35 173.58 1azz s LEU 59 N 0.12 3.67 -0.10 3.17 0.20 -1.26 -1.38 118.68 123.10 1azz s LEU 59 Ca -0.07 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.70 1azz s LEU 59 Cb -0.15 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.63 1azz s LEU 59 CO 0.05 0.06 -0.12 -1.83 -0.29 0.00 0.00 176.35 174.22 1azz s GLU 60 N 1.07 3.09 -0.07 1.98 4.04 0.47 -4.94 118.70 124.33 1azz s GLU 60 Ca 0.05 -0.66 -0.18 0.00 0.04 0.00 0.00 54.97 54.22 1azz s GLU 60 Cb -0.14 -2.58 -0.05 0.00 0.02 0.00 0.00 34.13 31.38 1azz s GLU 60 CO 0.03 0.38 0.49 1.21 -1.84 0.00 0.00 175.26 175.53 1azz s ASN 61 N -0.08 6.77 0.03 0.83 3.84 -1.26 -1.15 114.94 123.92 1azz s ASN 61 Ca -0.02 0.91 0.05 0.00 0.21 0.00 0.00 52.86 54.01 1azz s ASN 61 Cb -0.14 -2.29 -0.02 0.00 -0.55 0.00 0.00 41.25 38.25 1azz s ASN 61 CO 0.04 0.09 -0.14 -0.54 -2.79 0.00 0.00 177.10 173.75 1azz s LYS 62 N 0.12 0.95 -0.06 0.43 -0.14 -0.16 -5.00 119.74 115.88 1azz s LYS 62 Ca 0.26 -0.70 -0.01 0.00 -1.36 0.00 0.00 55.97 54.16 1azz s LYS 62 Cb -0.16 -0.95 -0.03 0.00 -1.68 0.00 0.00 37.83 35.01 1azz s LYS 62 CO 0.12 0.24 0.02 0.99 -0.76 0.00 0.00 175.35 175.96 1azz s THR 63 N -0.75 4.40 -0.56 2.17 2.01 -1.26 -1.22 115.64 120.43 1azz s THR 63 Ca 0.02 -0.30 -0.28 0.00 0.31 0.00 0.00 61.69 61.44 1azz s THR 63 Cb -0.07 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.58 1azz s THR 63 CO 0.01 0.54 1.16 -0.22 -0.69 0.00 0.00 174.62 175.42 1azz s LEU 64 N -1.11 3.54 0.28 4.42 0.20 0.34 -4.95 118.68 121.40 1azz s LEU 64 Ca 0.16 0.11 -0.29 0.00 0.69 0.00 0.00 54.13 54.80 1azz s LEU 64 Cb -0.11 -3.18 -0.14 0.00 -0.43 0.00 0.00 46.19 42.32 1azz s LEU 64 CO 0.05 -1.42 1.15 -0.62 -0.29 0.00 0.00 176.35 175.22 1azz n GLU 65 N 8.26 1.61 0.00 1.98 1.02 -1.26 -0.87 120.64 131.38 1azz n GLU 65 Ca 0.08 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1azz n GLU 65 Cb 0.49 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1azz n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1azz n GLY 66 N 1.34 3.22 0.03 0.62 0.00 -1.26 -4.72 105.19 104.42 1azz n GLY 66 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.90 0.00 -2.09 1.61 7.02 -0.78 -5.05 117.44 116.25 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 -0.04 -0.00 0.00 -2.42 0.00 0.00 31.31 28.85 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 3.44 0.16 3.61 6.99 0.00 -0.05 -5.02 105.19 114.31 1azz n GLY 68 Ca -0.02 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.27 2.89 -0.06 1.61 2.02 -1.26 -4.90 117.35 115.38 1azz s TYR 69 Ca 0.00 -0.05 -0.04 0.00 -0.37 0.00 0.00 57.07 56.61 1azz s TYR 69 Cb 0.00 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1azz s TYR 69 CO 0.00 0.40 0.13 -0.51 -1.57 0.00 0.00 175.55 174.00 1azz s ASP 70 N -1.64 6.15 0.16 2.29 1.01 -1.26 -0.50 116.67 122.87 1azz s ASP 70 Ca 0.19 0.34 0.02 0.00 0.71 0.00 0.00 52.55 53.81 1azz s ASP 70 Cb -0.11 -1.91 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 1azz s ASP 70 CO 0.10 0.33 -0.03 -0.72 0.21 0.00 0.00 175.17 175.06 1azz s TYR 71 N -1.14 1.19 0.01 4.23 1.13 -0.35 -4.42 117.35 117.99 1azz s TYR 71 Ca 0.20 -0.95 0.06 0.00 -1.41 0.00 0.00 57.07 54.97 1azz s TYR 71 Cb -0.12 -0.67 -0.02 0.00 -1.10 0.00 0.00 41.96 40.05 1azz s TYR 71 CO 0.10 -0.14 -0.19 0.71 -2.51 0.00 0.00 175.55 173.53 1azz s TYR 72 N -3.58 1.66 -0.13 -3.49 1.51 -0.05 -0.98 117.35 112.29 1azz s TYR 72 Ca 0.21 -0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1azz s TYR 72 Cb 0.05 -1.03 0.03 0.00 -0.11 0.00 0.00 41.96 40.90 1azz s TYR 72 CO 0.02 0.02 -0.07 0.54 -1.11 0.00 0.00 175.55 174.95 1azz s VAL 73 N -0.59 1.07 -0.24 0.71 0.11 -0.30 -0.37 120.40 120.78 1azz s VAL 73 Ca 0.07 -0.39 -0.13 0.00 -2.93 0.00 0.00 61.98 58.59 1azz s VAL 73 Cb -0.08 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1azz s VAL 73 CO 0.00 0.31 0.29 0.12 -3.33 0.00 0.00 175.10 172.49 1azz s PHE 74 N 1.68 3.30 0.00 1.54 5.36 -0.15 -0.40 117.98 129.31 1azz s PHE 74 Ca 0.04 0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 1azz s PHE 74 Cb -0.13 -2.45 0.00 0.00 -0.34 0.00 0.00 43.02 40.10 1azz s PHE 74 CO -0.08 -0.08 0.00 -3.47 -1.46 0.00 0.00 175.22 170.13 1azz n ASP 75 N 4.77 0.00 -3.77 6.13 -0.08 -0.48 -3.99 116.55 119.13 1azz n ASP 75 Ca -0.11 -0.31 -0.28 0.00 -1.51 0.00 0.00 54.79 52.58 1azz n ASP 75 Cb 0.51 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.99 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 -2.52 -1.98 -0.67 4.76 -1.26 -0.84 118.16 115.64 1azz n LYS 76 Ca 0.00 0.47 -0.32 0.00 -2.87 0.00 0.00 58.31 55.58 1azz n LYS 76 Cb 0.00 -4.44 0.02 0.00 -1.84 0.00 0.00 35.03 28.77 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 -3.67 3.85 0.49 -0.18 1.01 -1.26 -3.85 120.40 116.79 1azz s VAL 77 Ca 0.24 0.84 0.06 0.00 0.00 0.00 0.00 61.98 63.11 1azz s VAL 77 Cb -0.08 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1azz s VAL 77 CO 0.86 -0.56 0.29 -0.44 0.00 0.00 0.00 175.10 175.25 1azz s SER 78 N -2.94 4.56 0.04 3.32 0.01 -0.39 -4.94 113.70 113.37 1azz s SER 78 Ca 0.63 -1.20 -0.30 0.00 1.31 0.00 0.00 55.95 56.38 1azz s SER 78 Cb -0.16 0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.12 1azz s SER 78 CO 0.39 -0.88 1.15 -0.44 0.41 0.00 0.00 173.24 173.87 1azz s SER 79 N -4.12 7.15 0.71 2.44 0.01 -1.26 -4.62 113.70 114.01 1azz s SER 79 Ca 0.34 1.92 -0.16 0.00 1.31 0.00 0.00 55.95 59.36 1azz s SER 79 Cb -0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1azz s SER 79 CO 0.20 -0.42 1.00 -2.65 0.41 0.00 0.00 173.24 171.78 1azz n PRO 80 N 3.95 0.57 -4.44 12.44 -0.02 -1.26 -4.72 135.00 141.53 1azz n PRO 80 Ca 0.08 0.25 -0.24 0.00 -2.02 0.00 0.00 63.50 61.58 1azz n PRO 80 Cb 0.47 -2.25 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 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 2.66 -0.09 -1.45 1.01 0.12 -4.95 120.40 115.92 1azz s VAL 81 Ca 0.74 -2.29 -0.08 0.00 0.00 0.00 0.00 61.98 60.35 1azz s VAL 81 Cb -0.35 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1azz s VAL 81 CO 0.49 -0.38 0.25 -0.55 0.00 0.00 0.00 175.10 174.91 1azz s SER 82 N -3.55 -0.26 1.05 3.32 0.15 -1.26 -2.64 113.70 110.51 1azz s SER 82 Ca 0.31 0.50 -0.15 0.00 0.70 0.00 0.00 55.95 57.31 1azz s SER 82 Cb -0.05 0.50 0.22 0.00 -1.71 0.00 0.00 66.02 64.97 1azz s SER 82 CO 0.16 -0.10 1.12 0.42 1.20 0.00 0.00 173.24 176.05 1azz s THR 83 N 0.28 1.87 -0.36 6.45 -4.23 -0.56 -4.97 115.64 114.12 1azz s THR 83 Ca -0.01 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.56 1azz s THR 83 Cb -0.03 -2.57 0.47 0.00 1.34 0.00 0.00 72.50 71.71 1azz s THR 83 CO -0.01 0.00 1.43 0.23 -0.54 0.00 0.00 174.62 175.73 1azz n MET 84 N -4.29 2.83 -2.90 3.99 0.00 -1.26 -4.81 117.12 110.68 1azz n MET 84 Ca 0.08 -3.69 -0.36 0.00 0.00 0.00 0.00 57.70 53.73 1azz n MET 84 Cb 0.59 -2.11 -0.06 0.00 0.00 0.00 0.00 33.22 31.63 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 -3.53 4.43 -0.04 0.03 0.00 -1.26 -5.05 119.30 113.88 1azz s MET 85 Ca 0.51 1.14 -0.17 0.00 0.00 0.00 0.00 55.69 57.17 1azz s MET 85 Cb 0.43 -2.78 -0.05 0.00 0.00 0.00 0.00 34.83 32.43 1azz s MET 85 CO 0.01 0.30 0.47 0.00 0.00 0.00 0.00 175.02 175.80 1azz s ALA 86 N -1.63 3.57 0.33 4.11 0.00 -1.26 -4.84 121.76 122.05 1azz s ALA 86 Ca 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 1azz s ALA 86 Cb -0.17 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1azz s ALA 86 CO 0.22 0.24 0.54 0.00 0.00 0.00 0.00 175.76 176.76 1azz h PRO 88 N 1.00 -0.14 0.00 0.00 0.13 -2.02 -3.46 132.00 127.50 1azz h PRO 88 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1azz h PRO 88 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1azz h PRO 88 CO 0.63 -0.09 0.00 -3.47 -0.23 0.00 0.00 178.00 174.83 1azz n ASP 89 N -5.43 0.00 0.00 1.44 -0.08 -1.26 -5.19 116.55 106.03 1azz n ASP 89 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1azz n ASP 89 Cb 0.35 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.81 1azz n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1azz n GLY 90 N -0.90 -0.75 3.76 0.27 0.00 -1.26 -5.09 105.19 101.21 1azz n GLY 90 Ca 0.00 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.46 4.19 -0.47 1.61 -0.14 -1.26 -4.96 119.74 117.24 1azz s LYS 91 Ca 0.00 2.46 -0.23 0.00 -1.36 0.00 0.00 55.97 56.84 1azz s LYS 91 Cb 0.00 -3.04 0.03 0.00 -1.68 0.00 0.00 37.83 33.14 1azz s LYS 91 CO 0.00 -0.50 0.78 0.15 -0.76 0.00 0.00 175.35 175.02 1azz s LYS 92 N -0.95 3.35 0.56 1.68 3.01 -1.26 -4.76 119.74 121.37 1azz s LYS 92 Ca 0.58 -0.23 -0.08 0.00 -1.01 0.00 0.00 55.97 55.23 1azz s LYS 92 Cb -0.45 -3.98 -0.03 0.00 -1.01 0.00 0.00 37.83 32.37 1azz s LYS 92 CO 0.50 -1.18 0.92 -1.21 0.51 0.00 0.00 175.35 174.89 1azz s GLU 93 N 3.30 3.42 -0.08 1.68 0.41 -0.08 -4.55 118.70 122.80 1azz s GLU 93 Ca 0.28 0.39 -0.25 0.00 -0.41 0.00 0.00 54.97 54.98 1azz s GLU 93 Cb -0.13 -2.22 -0.03 0.00 -1.78 0.00 0.00 34.13 29.97 1azz s GLU 93 CO 0.21 -0.47 0.78 0.15 -0.49 0.00 0.00 175.26 175.44 1azz s LYS 94 N -4.99 4.42 0.04 1.61 1.02 -1.26 -0.19 119.74 120.39 1azz s LYS 94 Ca 0.52 1.00 -0.04 0.00 0.02 0.00 0.00 55.97 57.47 1azz s LYS 94 Cb -0.11 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 1azz s LYS 94 CO 0.49 -0.06 0.05 0.15 -0.92 0.00 0.00 175.35 175.06 1azz s LYS 95 N 1.19 0.57 -0.10 1.68 -0.14 0.34 -4.93 119.74 118.35 1azz s LYS 95 Ca 0.40 -0.85 -0.21 0.00 -1.36 0.00 0.00 55.97 53.95 1azz s LYS 95 Cb -0.18 0.21 -0.04 0.00 -1.68 0.00 0.00 37.83 36.15 1azz s LYS 95 CO 0.18 -0.13 0.62 0.12 -0.76 0.00 0.00 175.35 175.38 1azz s PHE 96 N -2.81 3.53 -0.25 3.18 5.36 -1.26 -0.24 117.98 125.48 1azz s PHE 96 Ca -0.03 1.09 -0.01 0.00 -0.96 0.00 0.00 56.93 57.02 1azz s PHE 96 Cb 0.00 -2.73 0.03 0.00 -0.34 0.00 0.00 43.02 39.99 1azz s PHE 96 CO -0.06 0.07 -0.08 0.08 -1.46 0.00 0.00 175.22 173.78 1azz s VAL 97 N 0.92 2.67 0.39 3.12 1.01 0.45 -4.97 120.40 124.00 1azz s VAL 97 Ca 0.33 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 1azz s VAL 97 Cb -0.17 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 1azz s VAL 97 CO 0.14 0.15 1.20 -0.89 0.00 0.00 0.00 175.10 175.70 1azz s THR 98 N 1.27 3.04 0.17 3.92 2.01 -1.26 -1.97 115.64 122.82 1azz s THR 98 Ca -0.02 0.90 -0.17 0.00 0.31 0.00 0.00 61.69 62.71 1azz s THR 98 Cb -0.17 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 1azz s THR 98 CO -0.05 0.10 0.62 0.00 -0.69 0.00 0.00 174.62 174.60 1azz s ALA 99 N -1.36 3.51 -0.31 7.40 0.00 0.57 -4.01 121.76 127.57 1azz s ALA 99 Ca 0.56 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.26 1azz s ALA 99 Cb -0.33 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.15 1azz s ALA 99 CO 0.41 0.40 0.88 -0.47 0.00 0.00 0.00 175.76 176.99 1azz s TYR 100 N -1.47 3.19 -1.24 0.00 5.04 -0.14 -4.72 117.35 118.01 1azz s TYR 100 Ca 0.39 0.95 0.19 0.00 -2.44 0.00 0.00 57.07 56.16 1azz s TYR 100 Cb -0.16 -3.36 0.71 0.00 0.35 0.00 0.00 41.96 39.50 1azz s TYR 100 CO 0.20 -0.62 1.62 1.28 -1.34 0.00 0.00 175.55 176.68 1azz n LEU 101 N 6.40 4.64 0.00 6.97 4.77 -1.26 -2.97 117.00 135.54 1azz n LEU 101 Ca 0.06 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1azz n LEU 101 Cb 0.48 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1azz n LEU 101 CO 0.53 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 1azz n GLY 102 N 1.18 1.45 0.19 -0.72 0.00 -1.26 -2.49 105.19 103.54 1azz n GLY 102 Ca 0.26 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 3.21 0.77 0.15 1.61 5.68 -1.26 -4.49 116.55 122.22 1azz n ASP 103 Ca 0.00 -0.77 0.13 0.00 -0.50 0.00 0.00 54.79 53.65 1azz n ASP 103 Cb 0.00 0.02 0.47 0.00 -1.14 0.00 0.00 41.12 40.47 1azz n ASP 103 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1azz h ALA 104 N 3.69 1.00 0.00 2.12 0.00 -1.87 -3.36 119.26 120.84 1azz h ALA 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1azz h ALA 104 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1azz h ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1azz n GLY 105 N 0.48 -0.84 3.23 0.00 0.00 -1.26 -4.73 105.19 102.06 1azz n GLY 105 Ca 0.03 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1azz n GLY 105 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1azz s MET 106 N -2.00 2.62 0.15 1.61 -2.45 -1.26 -1.41 119.30 116.56 1azz s MET 106 Ca 0.05 -1.15 0.05 0.00 -1.25 0.00 0.00 55.69 53.39 1azz s MET 106 Cb 0.02 -3.27 -0.04 0.00 1.25 0.00 0.00 34.83 32.79 1azz s MET 106 CO 0.04 -0.59 0.09 -0.51 1.05 0.00 0.00 175.02 175.10 1azz s LEU 107 N 1.34 3.66 0.24 4.11 1.02 0.63 -4.92 118.68 124.76 1azz s LEU 107 Ca -0.03 -0.19 -0.31 0.00 0.02 0.00 0.00 54.13 53.63 1azz s LEU 107 Cb -0.19 -2.30 -0.11 0.00 0.02 0.00 0.00 46.19 43.61 1azz s LEU 107 CO 0.00 0.09 1.61 -0.60 0.02 0.00 0.00 176.35 177.47 1azz s ARG 108 N -2.95 4.16 -0.10 1.70 3.52 -1.26 -0.76 118.95 123.25 1azz s ARG 108 Ca 0.30 2.51 -0.28 0.00 -0.13 0.00 0.00 55.73 58.13 1azz s ARG 108 Cb -0.10 -3.07 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 1azz s ARG 108 CO 0.22 -0.64 0.94 -0.47 -0.81 0.00 0.00 175.30 174.54 1azz s TYR 109 N 0.58 3.52 -0.31 5.12 6.14 -1.19 -4.70 117.35 126.51 1azz s TYR 109 Ca 0.68 1.51 0.02 0.00 0.64 0.00 0.00 57.07 59.91 1azz s TYR 109 Cb -0.47 -3.11 0.15 0.00 0.42 0.00 0.00 41.96 38.95 1azz s TYR 109 CO 0.39 -0.17 0.37 1.21 0.64 0.00 0.00 175.55 177.99 1azz s ASN 110 N 1.07 0.93 0.60 4.32 2.47 -1.26 -4.75 114.94 118.32 1azz s ASN 110 Ca 0.46 -0.72 0.38 0.00 0.42 0.00 0.00 52.86 53.40 1azz s ASN 110 Cb -0.18 0.83 1.84 0.00 -1.45 0.00 0.00 41.25 42.28 1azz s ASN 110 CO 0.18 -0.35 2.16 0.77 -3.72 0.00 0.00 177.10 176.14 1azz h SER 111 N 7.99 0.00 -0.45 -4.21 4.64 -1.84 -3.18 113.55 116.49 1azz h SER 111 Ca -0.08 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.37 1azz h SER 111 Cb 1.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1azz h SER 111 CO 0.28 0.00 0.33 0.11 -0.87 0.00 0.00 176.83 176.68 1azz h LYS 112 N 0.00 0.00 -4.96 4.77 1.79 -1.96 -3.43 116.57 112.78 1azz h LYS 112 Ca -0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 1azz h LYS 112 Cb 0.29 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 30.70 1azz h LYS 112 CO 0.00 0.00 -0.77 -1.17 -1.08 0.00 0.00 179.45 176.43 1azz s LEU 113 N -8.63 2.17 0.47 2.94 2.96 -1.20 -5.15 118.68 112.24 1azz s LEU 113 Ca -0.05 -0.43 -0.22 0.00 -0.22 0.00 0.00 54.13 53.21 1azz s LEU 113 Cb 0.19 -0.43 -0.08 0.00 0.50 0.00 0.00 46.19 46.37 1azz s LEU 113 CO 0.70 -0.03 1.12 -2.16 -1.32 0.00 0.00 176.35 174.66 1azz s PRO 114 N -1.10 3.76 -0.15 0.98 0.04 -1.26 -4.80 135.00 132.47 1azz s PRO 114 Ca -0.01 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 1azz s PRO 114 Cb -0.08 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1azz s PRO 114 CO 0.01 -0.52 0.61 0.42 0.04 0.00 0.00 177.00 177.56 1azz s ILE 115 N -1.68 5.06 -0.19 0.56 1.01 -0.40 -4.92 121.20 120.65 1azz s ILE 115 Ca 0.65 1.20 0.01 0.00 0.00 0.00 0.00 60.65 62.51 1azz s ILE 115 Cb -0.25 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.31 1azz s ILE 115 CO 0.29 0.19 -0.17 -0.69 0.00 0.00 0.00 174.94 174.57 1azz s VAL 116 N 1.34 1.95 -0.08 2.92 1.01 -1.26 -0.61 120.40 125.67 1azz s VAL 116 Ca 0.30 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1azz s VAL 116 Cb -0.16 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1azz s VAL 116 CO 0.12 0.42 -0.23 -0.69 0.00 0.00 0.00 175.10 174.72 1azz s VAL 117 N 1.31 2.21 -0.18 2.92 1.01 0.11 -0.87 120.40 126.91 1azz s VAL 117 Ca 0.03 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1azz s VAL 117 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1azz s VAL 117 CO -0.11 0.56 0.02 -0.31 0.00 0.00 0.00 175.10 175.26 1azz s TYR 118 N -0.01 3.14 0.29 5.22 1.51 0.50 -0.37 117.35 127.63 1azz s TYR 118 Ca -0.08 -0.14 0.06 0.00 -1.01 0.00 0.00 57.07 55.91 1azz s TYR 118 Cb -0.15 -2.04 -0.06 0.00 -0.11 0.00 0.00 41.96 39.60 1azz s TYR 118 CO 0.05 0.02 -0.04 0.95 -1.11 0.00 0.00 175.55 175.42 1azz s THR 119 N 0.49 1.61 0.50 -0.71 -4.23 -0.80 -0.98 115.64 111.53 1azz s THR 119 Ca 0.00 -2.11 -0.19 0.00 -1.18 0.00 0.00 61.69 58.21 1azz s THR 119 Cb -0.13 -2.50 -0.12 0.00 1.34 0.00 0.00 72.50 71.08 1azz s THR 119 CO 0.02 -0.26 0.33 -2.65 -0.54 0.00 0.00 174.62 171.52 1azz n PRO 120 N -0.61 0.36 0.02 3.99 -0.02 -1.26 -1.19 135.00 136.31 1azz n PRO 120 Ca -0.05 0.14 0.04 0.00 -2.02 0.00 0.00 63.50 61.60 1azz n PRO 120 Cb 0.64 -1.42 0.42 0.00 -0.02 0.00 0.00 33.50 33.12 1azz n PRO 120 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1azz h ASP 121 N 0.34 0.43 0.15 2.55 2.03 -1.45 -2.46 116.42 118.00 1azz h ASP 121 Ca -0.42 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1azz h ASP 121 Cb 1.42 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1azz h ASP 121 CO 0.47 0.34 -0.01 -0.46 -1.03 0.00 0.00 179.24 178.56 1azz n ASN 122 N -4.45 0.09 -4.59 4.15 6.94 -1.26 -4.83 115.26 111.31 1azz n ASN 122 Ca 0.02 -0.80 -0.29 0.00 -0.02 0.00 0.00 54.58 53.49 1azz n ASN 122 Cb 0.09 -0.07 -0.09 0.00 -2.36 0.00 0.00 39.78 37.35 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 -2.15 3.43 0.27 3.53 -7.23 -0.93 -4.70 120.40 112.62 1azz s VAL 123 Ca 0.42 -1.29 0.12 0.00 -1.81 0.00 0.00 61.98 59.42 1azz s VAL 123 Cb 0.21 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 1azz s VAL 123 CO 0.39 0.08 -0.21 -1.81 -0.31 0.00 0.00 175.10 173.25 1azz s ASP 124 N -2.32 3.57 -0.13 4.85 1.01 0.34 -4.81 116.67 119.18 1azz s ASP 124 Ca 0.22 -1.01 0.03 0.00 0.71 0.00 0.00 52.55 52.50 1azz s ASP 124 Cb -0.11 -0.29 0.00 0.00 1.01 0.00 0.00 42.92 43.53 1azz s ASP 124 CO 0.15 0.05 -0.22 -0.69 0.21 0.00 0.00 175.17 174.67 1azz s VAL 125 N -2.40 2.19 0.40 -1.27 1.01 -1.26 -1.25 120.40 117.82 1azz s VAL 125 Ca 0.29 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1azz s VAL 125 Cb -0.05 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1azz s VAL 125 CO 0.14 0.55 0.05 -0.54 0.00 0.00 0.00 175.10 175.30 1azz s LYS 126 N 0.60 1.90 0.15 2.72 1.02 0.23 -5.00 119.74 121.36 1azz s LYS 126 Ca -0.12 -2.11 -0.21 0.00 0.02 0.00 0.00 55.97 53.55 1azz s LYS 126 Cb -0.17 -1.18 0.06 0.00 -0.52 0.00 0.00 37.83 36.03 1azz s LYS 126 CO 0.03 -0.23 0.55 1.52 -0.92 0.00 0.00 175.35 176.29 1azz s TYR 127 N -3.03 -0.43 0.11 3.18 1.13 -1.26 -0.70 117.35 116.34 1azz s TYR 127 Ca 0.28 0.18 -0.09 0.00 -1.41 0.00 0.00 57.07 56.03 1azz s TYR 127 Cb 0.07 0.48 -0.00 0.00 -1.10 0.00 0.00 41.96 41.40 1azz s TYR 127 CO 0.14 -0.82 0.21 -0.98 -2.51 0.00 0.00 175.55 171.59 1azz s ARG 128 N -3.77 0.92 0.03 -3.49 1.70 -0.71 -4.94 118.95 108.69 1azz s ARG 128 Ca 0.02 -1.02 -0.01 0.00 -0.47 0.00 0.00 55.73 54.25 1azz s ARG 128 Cb -0.00 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1azz s ARG 128 CO -0.12 -0.30 0.17 0.08 -1.08 0.00 0.00 175.30 174.04 1azz s VAL 129 N -3.89 5.21 -0.01 4.99 1.01 -1.26 -0.59 120.40 125.87 1azz s VAL 129 Ca 0.08 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.80 1azz s VAL 129 Cb 0.05 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1azz s VAL 129 CO -0.08 0.24 -0.26 0.26 0.00 0.00 0.00 175.10 175.26 1azz s TRP 130 N -1.38 2.34 -0.06 5.22 0.52 0.38 -4.92 118.94 121.03 1azz s TRP 130 Ca 0.30 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 56.03 1azz s TRP 130 Cb -0.13 -1.48 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1azz s TRP 130 CO 0.22 0.00 -0.18 0.21 0.02 0.00 0.00 176.95 177.22 1azz s LYS 131 N -0.76 2.64 0.27 4.98 2.20 -1.26 -1.33 119.74 126.49 1azz s LYS 131 Ca 0.10 -0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 1azz s LYS 131 Cb -0.10 -2.34 -0.09 0.00 -1.51 0.00 0.00 37.83 33.79 1azz s LYS 131 CO -0.00 0.48 1.06 0.00 -0.36 0.00 0.00 175.35 176.53 1azz s ALA 132 N -0.37 3.39 0.74 3.13 0.00 -0.30 -5.01 121.76 123.33 1azz s ALA 132 Ca 0.03 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 1azz s ALA 132 Cb -0.12 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1azz s ALA 132 CO 0.02 -0.08 1.09 -1.83 0.00 0.00 0.00 175.76 174.95 1azz s GLU 133 N -1.42 2.58 0.12 0.00 -1.05 -1.26 -5.00 118.70 112.67 1azz s GLU 133 Ca 0.44 0.62 -0.02 0.00 -0.15 0.00 0.00 54.97 55.86 1azz s GLU 133 Cb -0.30 -1.98 -0.14 0.00 -0.44 0.00 0.00 34.13 31.27 1azz s GLU 133 CO 0.39 -1.27 1.27 1.05 0.95 0.00 0.00 175.26 177.65 1azz h GLU 134 N -0.83 0.28 -6.49 -4.83 4.11 -2.01 -3.46 114.58 101.35 1azz h GLU 134 Ca -0.46 -0.37 -0.53 0.00 0.07 0.00 0.00 59.36 58.08 1azz h GLU 134 Cb 1.25 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1azz h GLU 134 CO 0.61 1.10 0.41 -1.59 0.07 0.00 0.00 179.01 179.61 1azz s LYS 135 N -3.02 4.58 -0.20 1.06 -2.85 -1.26 -5.02 119.74 113.03 1azz s LYS 135 Ca -0.04 1.52 -0.04 0.00 -1.00 0.00 0.00 55.97 56.42 1azz s LYS 135 Cb 0.09 -3.40 -0.02 0.00 -2.06 0.00 0.00 37.83 32.44 1azz s LYS 135 CO 0.86 0.00 -0.03 0.42 0.10 0.00 0.00 175.35 176.70 1azz s ILE 136 N 0.59 3.61 0.43 3.79 1.01 -1.26 -5.11 121.20 124.26 1azz s ILE 136 Ca 0.51 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.80 1azz s ILE 136 Cb -0.24 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1azz s ILE 136 CO 0.30 0.44 0.16 -0.62 0.00 0.00 0.00 174.94 175.21 1azz s ASP 137 N 1.09 4.34 0.06 3.58 -1.08 -1.26 -5.14 116.67 118.25 1azz s ASP 137 Ca 0.02 -1.17 0.03 0.00 -0.52 0.00 0.00 52.55 50.90 1azz s ASP 137 Cb -0.15 -0.34 -0.04 0.00 -1.46 0.00 0.00 42.92 40.94 1azz s ASP 137 CO 0.00 -0.59 0.03 0.20 0.52 0.00 0.00 175.17 175.34 1azz s ASN 138 N -3.90 5.27 0.51 -0.34 -0.87 -1.26 -5.11 114.94 109.24 1azz s ASN 138 Ca 0.37 -0.05 -0.14 0.00 -1.57 0.00 0.00 52.86 51.47 1azz s ASN 138 Cb 0.04 -1.36 -0.07 0.00 -0.02 0.00 0.00 41.25 39.84 1azz s ASN 138 CO 0.20 0.21 0.95 0.00 -2.57 0.00 0.00 177.10 175.89 1azz s ALA 139 N -1.27 3.13 0.09 0.60 0.00 -1.26 -5.07 121.76 117.98 1azz s ALA 139 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 1azz s ALA 139 Cb -0.12 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1azz s ALA 139 CO 0.17 -0.28 0.25 0.08 0.00 0.00 0.00 175.76 175.99 1azz s VAL 140 N -2.68 5.33 -0.36 0.00 1.01 -1.26 -5.06 120.40 117.38 1azz s VAL 140 Ca 0.56 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 1azz s VAL 140 Cb -0.10 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1azz s VAL 140 CO 0.36 0.09 0.24 0.54 0.00 0.00 0.00 175.10 176.33 1azz s VAL 141 N -1.57 4.99 0.00 2.92 0.11 -1.26 -5.36 120.40 120.23 1azz s VAL 141 Ca 0.36 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1azz s VAL 141 Cb -0.13 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 1azz s VAL 141 CO 0.27 -0.14 0.00 -2.11 -3.33 0.00 0.00 175.10 169.79