#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug0 s SER 2 N 0.00 -0.15 -0.23 1.61 1.04 -1.26 -5.17 113.70 109.54 1ug0 s SER 2 Ca 0.00 0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.38 1ug0 s SER 2 Cb 0.00 0.14 0.07 0.00 0.10 0.00 0.00 66.02 66.33 1ug0 s SER 2 CO 0.00 -0.19 0.58 -0.94 0.98 0.00 0.00 173.24 173.67 1ug0 s SER 3 N -1.62 -0.77 0.25 7.02 1.04 -1.26 -5.17 113.70 113.20 1ug0 s SER 3 Ca 0.07 1.26 -0.21 0.00 0.48 0.00 0.00 55.95 57.55 1ug0 s SER 3 Cb -0.01 1.15 0.04 0.00 0.10 0.00 0.00 66.02 67.30 1ug0 s SER 3 CO -0.05 -0.22 0.81 -0.83 0.98 0.00 0.00 173.24 173.94 1ug0 s GLY 4 N 1.46 -0.06 0.00 7.32 0.00 -1.26 -5.19 107.32 109.60 1ug0 s GLY 4 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1ug0 s GLY 4 CO -0.16 0.03 0.00 1.44 0.00 0.00 0.00 173.10 174.41 1ug0 n SER 5 N -0.62 0.00 -4.16 1.64 7.64 -1.26 -5.15 113.62 111.71 1ug0 n SER 5 Ca -0.05 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.50 1ug0 n SER 5 Cb 0.60 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.64 1ug0 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ug0 s SER 6 N 0.00 3.27 0.00 6.43 1.04 -1.26 -4.73 113.70 118.45 1ug0 s SER 6 Ca 0.00 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1ug0 s SER 6 Cb 0.00 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.62 1ug0 s SER 6 CO 0.00 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1ug0 n GLY 7 N 4.47 0.56 3.54 7.32 0.00 -1.26 -5.11 105.19 114.71 1ug0 n GLY 7 Ca -0.20 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1ug0 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ug0 n GLU 8 N 0.00 0.24 0.28 1.61 1.02 -1.26 -4.76 120.64 117.77 1ug0 n GLU 8 Ca 0.00 0.14 0.14 0.00 -0.02 0.00 0.00 57.16 57.42 1ug0 n GLU 8 Cb 0.00 -2.05 0.68 0.00 -0.02 0.00 0.00 31.44 30.04 1ug0 n GLU 8 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ug0 h GLU 9 N -0.63 0.00 -0.03 3.49 5.08 -2.00 0.33 114.58 120.83 1ug0 h GLU 9 Ca -0.46 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1ug0 h GLU 9 Cb 1.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1ug0 h GLU 9 CO 0.43 0.00 0.36 -0.44 -1.00 0.00 0.00 179.01 178.36 1ug0 h ASP 10 N 0.00 0.00 -0.88 1.42 5.19 -1.95 -0.09 116.42 120.11 1ug0 h ASP 10 Ca 0.04 0.00 0.26 0.00 -0.62 0.00 0.00 57.03 56.71 1ug0 h ASP 10 Cb 1.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.47 1ug0 h ASP 10 CO -0.00 0.00 0.79 0.10 -3.12 0.00 0.00 179.24 177.01 1ug0 h TYR 11 N 0.00 0.00 0.00 4.55 -0.00 -0.62 1.66 116.97 122.56 1ug0 h TYR 11 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.62 1ug0 h TYR 11 Cb 0.73 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.44 1ug0 h TYR 11 CO 0.00 0.00 -1.25 1.05 -0.00 0.00 0.00 178.16 177.96 1ug0 h GLU 12 N 0.00 0.00 0.00 0.10 4.11 -1.26 -3.31 114.58 114.22 1ug0 h GLU 12 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1ug0 h GLU 12 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1ug0 h GLU 12 CO -0.00 0.23 0.07 -0.56 0.07 0.00 0.00 179.01 178.81 1ug0 h GLN 13 N 0.00 0.00 0.00 1.06 -0.00 0.23 0.79 115.11 117.19 1ug0 h GLN 13 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 1ug0 h GLN 13 Cb 1.43 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.91 1ug0 h GLN 13 CO 0.04 0.00 -0.05 -1.49 -0.00 0.00 0.00 178.83 177.32 1ug0 h TRP 14 N 0.00 0.00 -0.33 0.06 4.06 -1.62 -2.89 115.95 115.23 1ug0 h TRP 14 Ca 0.00 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 1ug0 h TRP 14 Cb 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 1ug0 h TRP 14 CO 0.00 0.05 -0.43 -0.07 -3.56 0.00 0.00 178.44 174.43 1ug0 h LEU 15 N 0.00 0.91 -1.32 -4.49 3.38 0.38 -2.92 115.31 111.25 1ug0 h LEU 15 Ca -0.00 -0.44 0.30 0.00 0.09 0.00 0.00 57.88 57.84 1ug0 h LEU 15 Cb 0.78 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.17 1ug0 h LEU 15 CO 0.01 1.21 0.69 -0.33 0.09 0.00 0.00 178.44 180.11 1ug0 h GLU 16 N 0.68 0.33 -4.00 1.13 5.08 -1.56 -3.14 114.58 113.10 1ug0 h GLU 16 Ca 0.05 -0.02 -0.69 0.00 -1.00 0.00 0.00 59.36 57.69 1ug0 h GLU 16 Cb 1.02 -0.07 -0.35 0.00 0.50 0.00 0.00 28.75 29.84 1ug0 h GLU 16 CO 0.10 0.22 -0.47 0.96 -1.00 0.00 0.00 179.01 178.81 1ug0 s ILE 17 N -5.48 3.41 0.95 3.13 -5.25 -1.10 -5.09 121.20 111.77 1ug0 s ILE 17 Ca -0.09 -2.57 -0.16 0.00 -0.99 0.00 0.00 60.65 56.84 1ug0 s ILE 17 Cb 0.27 -3.29 0.24 0.00 2.95 0.00 0.00 42.46 42.63 1ug0 s ILE 17 CO 0.80 -0.78 0.75 1.17 -1.79 0.00 0.00 174.94 175.09 1ug0 n LYS 18 N 3.97 -3.01 -3.36 0.37 3.00 -1.19 -4.92 118.16 113.02 1ug0 n LYS 18 Ca 0.03 -1.21 -0.21 0.00 -0.00 0.00 0.00 58.31 56.92 1ug0 n LYS 18 Cb 0.39 -1.24 -0.00 0.00 0.00 0.00 0.00 35.03 34.17 1ug0 n LYS 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1ug0 s VAL 19 N -2.26 4.24 0.19 3.15 -7.23 -1.26 -5.10 120.40 112.14 1ug0 s VAL 19 Ca 0.51 -0.80 0.09 0.00 -1.81 0.00 0.00 61.98 59.97 1ug0 s VAL 19 Cb -0.06 -3.51 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 1ug0 s VAL 19 CO 0.40 -0.26 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.31 1ug0 s SER 20 N -4.16 2.89 1.01 4.85 0.01 -1.26 -4.26 113.70 112.77 1ug0 s SER 20 Ca 0.45 -0.92 -0.15 0.00 1.31 0.00 0.00 55.95 56.63 1ug0 s SER 20 Cb -0.10 -0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.14 1ug0 s SER 20 CO 0.33 -0.03 1.18 -2.16 0.41 0.00 0.00 173.24 172.97 1ug0 s PRO 21 N -3.05 0.33 0.00 12.44 0.04 -1.26 -4.64 135.00 138.87 1ug0 s PRO 21 Ca 0.20 -0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.37 1ug0 s PRO 21 Cb -0.05 -1.77 0.83 0.00 0.04 0.00 0.00 34.50 33.55 1ug0 s PRO 21 CO 0.08 -2.69 1.36 -0.35 0.04 0.00 0.00 177.00 175.44 1ug0 n PRO 22 N -4.05 0.75 0.24 0.56 -0.04 -1.26 -2.80 135.00 128.41 1ug0 n PRO 22 Ca 0.11 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 1ug0 n PRO 22 Cb 0.59 -1.29 0.41 0.00 -0.04 0.00 0.00 33.50 33.17 1ug0 n PRO 22 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ug0 h GLU 23 N 0.00 0.00 0.00 0.54 4.57 -1.95 -2.87 114.58 114.87 1ug0 h GLU 23 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ug0 h GLU 23 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ug0 h GLU 23 CO 0.00 0.05 0.00 0.41 -1.18 0.00 0.00 179.01 178.29 1ug0 n GLY 24 N 0.56 -1.05 0.31 1.92 0.00 -1.12 -2.93 105.19 102.88 1ug0 n GLY 24 Ca 0.02 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1ug0 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug0 h ALA 25 N 2.16 0.82 -1.04 4.61 0.00 -1.77 1.77 119.26 125.81 1ug0 h ALA 25 Ca 0.00 0.30 0.31 0.00 0.00 0.00 0.00 54.91 55.52 1ug0 h ALA 25 Cb 0.19 0.55 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 1ug0 h ALA 25 CO 0.00 -0.45 0.62 0.93 0.00 0.00 0.00 179.25 180.34 1ug0 h GLU 26 N 0.04 0.36 0.00 0.00 5.08 -1.81 0.32 114.58 118.57 1ug0 h GLU 26 Ca 0.47 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.54 1ug0 h GLU 26 Cb 0.84 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1ug0 h GLU 26 CO -0.82 0.24 -1.82 2.41 -1.00 0.00 0.00 179.01 178.03 1ug0 n THR 27 N -4.92 1.36 -0.33 1.13 -1.04 0.43 -4.29 114.28 106.61 1ug0 n THR 27 Ca 0.30 -0.77 0.03 0.00 -2.04 0.00 0.00 64.05 61.57 1ug0 n THR 27 Cb 0.95 -0.76 0.10 0.00 -1.82 0.00 0.00 70.33 68.81 1ug0 n THR 27 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1ug0 h ARG 28 N 0.00 -0.01 -0.72 -2.82 1.12 0.60 1.84 114.38 114.39 1ug0 h ARG 28 Ca -0.30 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.57 1ug0 h ARG 28 Cb 1.90 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.83 1ug0 h ARG 28 CO 0.05 -0.01 0.48 0.00 -3.11 0.00 0.00 179.97 177.38 1ug0 h ARG 29 N -0.01 0.95 0.06 0.20 3.08 -1.67 0.19 114.38 117.19 1ug0 h ARG 29 Ca 0.41 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 1ug0 h ARG 29 Cb 0.65 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1ug0 h ARG 29 CO -0.94 0.63 -0.03 0.28 -1.07 0.00 0.00 179.97 178.84 1ug0 h VAL 30 N 0.98 1.26 -0.81 2.04 2.07 0.18 -3.19 116.25 118.78 1ug0 h VAL 30 Ca 0.26 -1.25 0.13 0.00 0.82 0.00 0.00 66.70 66.66 1ug0 h VAL 30 Cb -0.11 2.05 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 1ug0 h VAL 30 CO -0.06 0.30 0.41 0.40 0.02 0.00 0.00 177.57 178.65 1ug0 h ILE 31 N -0.66 0.77 -0.97 4.57 2.04 0.24 0.05 117.51 123.55 1ug0 h ILE 31 Ca -0.01 -0.21 0.31 0.00 1.00 0.00 0.00 64.86 65.95 1ug0 h ILE 31 Cb 0.56 0.09 -0.17 0.00 -0.74 0.00 0.00 36.82 36.56 1ug0 h ILE 31 CO 0.01 0.11 0.27 -0.08 0.00 0.00 0.00 178.15 178.47 1ug0 h GLU 32 N 0.63 0.07 -0.22 2.37 4.81 -0.60 1.64 114.58 123.27 1ug0 h GLU 32 Ca 0.43 -0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.45 1ug0 h GLU 32 Cb 0.55 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1ug0 h GLU 32 CO -0.33 0.04 -0.64 0.87 -0.73 0.00 0.00 179.01 178.22 1ug0 h LYS 33 N 0.07 0.81 0.37 1.92 1.79 -1.07 0.28 116.57 120.74 1ug0 h LYS 33 Ca 0.68 -0.57 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1ug0 h LYS 33 Cb 1.56 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 32.30 1ug0 h LYS 33 CO -0.80 1.19 -0.26 1.25 -1.08 0.00 0.00 179.45 179.76 1ug0 h LEU 34 N 0.59 -0.67 -0.51 2.94 5.85 0.26 1.19 115.31 124.97 1ug0 h LEU 34 Ca -0.01 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1ug0 h LEU 34 Cb 1.25 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 1ug0 h LEU 34 CO 0.14 -0.38 0.19 0.00 -0.34 0.00 0.00 178.44 178.05 1ug0 h ALA 35 N -1.47 0.62 -0.85 1.25 0.00 -0.44 1.20 119.26 119.58 1ug0 h ALA 35 Ca -0.05 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1ug0 h ALA 35 Cb 0.49 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1ug0 h ALA 35 CO 0.03 -0.20 0.55 -0.09 0.00 0.00 0.00 179.25 179.55 1ug0 h ARG 36 N 0.38 0.87 0.15 0.00 2.43 -0.72 0.18 114.38 117.67 1ug0 h ARG 36 Ca 0.24 -0.05 -0.30 0.00 -0.81 0.00 0.00 59.98 59.05 1ug0 h ARG 36 Cb 0.24 -0.20 0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1ug0 h ARG 36 CO -0.23 0.58 -1.29 0.35 -1.51 0.00 0.00 179.97 177.86 1ug0 h PHE 37 N 0.90 0.96 0.00 2.20 3.57 0.34 -2.94 116.94 121.97 1ug0 h PHE 37 Ca 0.37 -0.63 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1ug0 h PHE 37 Cb 0.29 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1ug0 h PHE 37 CO -0.00 1.47 0.00 0.28 -2.23 0.00 0.00 178.31 177.83 1ug0 n VAL 38 N -3.75 0.00 -0.60 1.41 0.31 0.40 -1.70 118.33 114.39 1ug0 n VAL 38 Ca -0.14 0.99 0.48 0.00 -0.01 0.00 0.00 64.34 65.67 1ug0 n VAL 38 Cb 1.01 -1.87 0.77 0.00 -0.91 0.00 0.00 33.84 32.84 1ug0 n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ug0 h ALA 39 N -2.00 3.68 0.45 3.52 0.00 -0.87 0.70 119.26 124.73 1ug0 h ALA 39 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ug0 h ALA 39 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ug0 h ALA 39 CO 0.00 -2.25 -0.21 0.93 0.00 0.00 0.00 179.25 177.71 1ug0 h GLU 40 N 0.00 -0.58 0.00 0.00 4.39 -1.32 -3.39 114.58 113.68 1ug0 h GLU 40 Ca 0.84 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.58 1ug0 h GLU 40 Cb 3.51 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 32.29 1ug0 h GLU 40 CO -0.01 -0.38 -0.05 0.78 -1.16 0.00 0.00 179.01 178.18 1ug0 h GLY 41 N -0.65 0.00 0.00 -3.84 0.00 0.48 -3.51 103.07 95.55 1ug0 h GLY 41 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1ug0 h GLY 41 CO 0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.25 1ug0 n GLY 42 N 1.81 -0.18 0.15 4.60 0.00 0.20 -4.92 105.19 106.86 1ug0 n GLY 42 Ca -0.01 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1ug0 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug0 h PRO 43 N 0.00 0.31 -0.84 1.61 0.13 -1.97 -3.11 132.00 128.13 1ug0 h PRO 43 Ca 0.00 -0.30 0.24 0.00 -0.87 0.00 0.00 66.00 65.07 1ug0 h PRO 43 Cb 0.00 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.17 1ug0 h PRO 43 CO 0.00 0.98 0.60 0.93 -0.23 0.00 0.00 178.00 180.28 1ug0 h GLU 44 N 0.19 0.04 0.19 0.86 3.07 -1.94 -0.53 114.58 116.44 1ug0 h GLU 44 Ca -0.05 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1ug0 h GLU 44 Cb 1.44 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.34 1ug0 h GLU 44 CO 0.14 0.03 -0.09 -0.07 -1.40 0.00 0.00 179.01 177.61 1ug0 h LEU 45 N 0.04 -0.21 -1.28 1.33 -0.00 -1.87 -1.92 115.31 111.39 1ug0 h LEU 45 Ca 0.40 -0.28 0.33 0.00 -0.00 0.00 0.00 57.88 58.32 1ug0 h LEU 45 Cb 1.55 0.05 -0.12 0.00 -0.00 0.00 0.00 40.66 42.15 1ug0 h LEU 45 CO -0.02 0.34 0.70 -0.08 -0.00 0.00 0.00 178.44 179.37 1ug0 h GLU 46 N -0.93 0.29 0.32 1.13 4.22 -1.19 1.27 114.58 119.68 1ug0 h GLU 46 Ca -0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 1ug0 h GLU 46 Cb 0.48 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ug0 h GLU 46 CO 0.04 0.19 -0.15 0.87 -2.18 0.00 0.00 179.01 177.78 1ug0 h LYS 47 N 0.30 -0.41 -0.95 1.92 1.57 -1.22 -2.98 116.57 114.80 1ug0 h LYS 47 Ca 0.69 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.62 1ug0 h LYS 47 Cb 1.84 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 34.16 1ug0 h LYS 47 CO -0.41 -0.08 0.61 0.28 -0.57 0.00 0.00 179.45 179.28 1ug0 h VAL 48 N -0.93 0.91 -0.46 0.50 2.07 0.01 -0.83 116.25 117.51 1ug0 h VAL 48 Ca -0.04 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.26 1ug0 h VAL 48 Cb 0.51 -0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 1ug0 h VAL 48 CO 0.07 0.16 -0.19 0.00 0.02 0.00 0.00 177.57 177.64 1ug0 h ALA 49 N 1.56 0.18 0.00 1.67 0.00 0.15 1.21 119.26 124.02 1ug0 h ALA 49 Ca 0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1ug0 h ALA 49 Cb 0.53 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ug0 h ALA 49 CO -0.23 -0.53 0.14 0.52 0.00 0.00 0.00 179.25 179.15 1ug0 h MET 50 N -0.09 0.00 0.07 0.00 2.07 -0.99 0.24 114.93 116.23 1ug0 h MET 50 Ca 0.22 0.00 -0.36 0.00 -2.07 0.00 0.00 59.70 57.49 1ug0 h MET 50 Cb 0.43 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.12 1ug0 h MET 50 CO -0.52 0.00 -2.13 -1.91 1.07 0.00 0.00 176.91 173.42 1ug0 n GLU 51 N -2.73 0.71 0.14 1.72 4.07 0.36 -1.91 120.64 123.00 1ug0 n GLU 51 Ca -0.02 0.22 0.03 0.00 -0.06 0.00 0.00 57.16 57.33 1ug0 n GLU 51 Cb 0.19 -1.65 0.43 0.00 -0.06 0.00 0.00 31.44 30.34 1ug0 n GLU 51 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1ug0 h ASP 52 N 0.04 0.18 -0.10 4.31 3.32 0.19 -2.68 116.42 121.69 1ug0 h ASP 52 Ca -0.46 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 1ug0 h ASP 52 Cb 2.01 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 41.42 1ug0 h ASP 52 CO 0.03 0.32 -0.59 -1.22 -1.72 0.00 0.00 179.24 176.06 1ug0 n TYR 53 N -4.31 0.36 -0.31 4.55 4.01 -0.14 -4.77 117.16 116.54 1ug0 n TYR 53 Ca -0.01 -1.51 0.14 0.00 -0.16 0.00 0.00 57.90 56.36 1ug0 n TYR 53 Cb 0.24 -0.25 0.38 0.00 -0.31 0.00 0.00 39.34 39.40 1ug0 n TYR 53 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ug0 h LYS 54 N 1.17 0.64 -2.19 -0.72 3.11 -1.02 -2.61 116.57 114.95 1ug0 h LYS 54 Ca 0.02 -0.04 -0.60 0.00 -2.81 0.00 0.00 60.65 57.23 1ug0 h LYS 54 Cb 1.15 -0.14 -0.42 0.00 -1.00 0.00 0.00 32.23 31.81 1ug0 h LYS 54 CO 0.10 0.42 -0.63 -0.25 -2.81 0.00 0.00 179.45 176.29 1ug0 n ASP 55 N -4.64 3.61 -3.78 4.20 9.92 -1.26 -5.02 116.55 119.59 1ug0 n ASP 55 Ca 0.21 -3.42 -0.23 0.00 -0.53 0.00 0.00 54.79 50.82 1ug0 n ASP 55 Cb 0.58 -0.66 -0.18 0.00 -0.64 0.00 0.00 41.12 40.23 1ug0 n ASP 55 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1ug0 s ASN 56 N -2.49 1.62 0.00 -2.24 0.01 -0.99 -4.99 114.94 105.87 1ug0 s ASN 56 Ca 0.40 -0.10 0.23 0.00 -0.71 0.00 0.00 52.86 52.68 1ug0 s ASN 56 Cb 0.16 -0.46 1.27 0.00 0.41 0.00 0.00 41.25 42.63 1ug0 s ASN 56 CO -0.03 -0.19 1.76 -0.81 -1.51 0.00 0.00 177.10 176.33 1ug0 n PRO 57 N 5.14 0.50 -0.11 -0.60 -0.04 -1.26 -2.71 135.00 135.92 1ug0 n PRO 57 Ca -0.07 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.27 1ug0 n PRO 57 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 1ug0 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ug0 n ALA 58 N -1.16 1.44 -0.49 0.55 0.00 -1.26 -4.30 120.51 115.28 1ug0 n ALA 58 Ca 0.14 -1.15 -0.15 0.00 0.00 0.00 0.00 53.44 52.28 1ug0 n ALA 58 Cb 0.14 -0.16 0.13 0.00 0.00 0.00 0.00 19.45 19.56 1ug0 n ALA 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ug0 n PHE 59 N -3.11 2.04 0.41 0.00 3.01 -1.10 -4.31 117.46 114.40 1ug0 n PHE 59 Ca -0.41 -1.35 0.10 0.00 1.01 0.00 0.00 57.45 56.80 1ug0 n PHE 59 Cb 1.05 -0.70 0.44 0.00 -0.01 0.00 0.00 39.48 40.25 1ug0 n PHE 59 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ug0 n THR 60 N -0.55 0.91 -0.13 4.37 -2.24 -1.15 -2.53 114.28 112.97 1ug0 n THR 60 Ca 0.39 0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 62.31 1ug0 n THR 60 Cb 1.27 -1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 1ug0 n THR 60 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1ug0 h PHE 61 N 0.00 0.94 0.00 4.78 -0.00 -1.89 -3.18 116.94 117.59 1ug0 h PHE 61 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 57.97 57.73 1ug0 h PHE 61 Cb 0.31 -0.21 0.00 0.00 -0.00 0.00 0.00 35.95 36.05 1ug0 h PHE 61 CO 0.00 1.00 0.00 1.28 -0.00 0.00 0.00 178.31 180.59 1ug0 n LEU 62 N -4.25 0.00 -0.33 2.10 4.77 -1.05 -0.84 117.00 117.41 1ug0 n LEU 62 Ca -0.02 0.94 -0.07 0.00 -0.03 0.00 0.00 56.01 56.82 1ug0 n LEU 62 Cb 0.43 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1ug0 n LEU 62 CO 0.45 -0.44 0.54 0.45 -1.33 0.00 0.00 177.39 177.06 1ug0 h HIS 63 N 0.00 -1.47 -2.37 -1.77 3.86 -1.76 -3.38 115.15 108.26 1ug0 h HIS 63 Ca 0.00 0.11 -0.57 0.00 -1.16 0.00 0.00 60.37 58.75 1ug0 h HIS 63 Cb 0.00 0.76 0.06 0.00 1.06 0.00 0.00 27.41 29.29 1ug0 h HIS 63 CO -0.81 -0.40 0.89 -0.25 0.86 0.00 0.00 177.93 178.21 1ug0 n ASP 64 N -5.37 3.40 -0.02 2.45 8.00 -0.02 -4.92 116.55 120.08 1ug0 n ASP 64 Ca 0.04 1.07 -0.01 0.00 0.71 0.00 0.00 54.79 56.59 1ug0 n ASP 64 Cb 0.33 -1.47 -0.00 0.00 -0.02 0.00 0.00 41.12 39.96 1ug0 n ASP 64 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ug0 n LYS 65 N 3.86 0.14 -3.30 -1.24 4.76 -1.26 -4.57 118.16 116.55 1ug0 n LYS 65 Ca 0.17 0.34 -0.46 0.00 -2.87 0.00 0.00 58.31 55.49 1ug0 n LYS 65 Cb 0.31 -1.05 -0.01 0.00 -1.84 0.00 0.00 35.03 32.44 1ug0 n LYS 65 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ug0 s ASN 66 N -4.21 7.07 0.00 4.39 2.20 -1.26 -4.43 114.94 118.69 1ug0 s ASN 66 Ca -0.05 -3.16 0.00 0.00 -0.94 0.00 0.00 52.86 48.71 1ug0 s ASN 66 Cb 0.01 -2.23 0.00 0.00 -2.00 0.00 0.00 41.25 37.03 1ug0 s ASN 66 CO 0.07 -0.45 0.00 -0.24 -2.94 0.00 0.00 177.10 173.54 1ug0 n SER 67 N 3.47 0.00 0.00 3.54 2.88 -1.26 -5.08 113.62 117.18 1ug0 n SER 67 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1ug0 n SER 67 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1ug0 n SER 67 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ug0 n ARG 68 N -2.28 0.00 -0.07 -1.46 0.00 -1.26 -4.92 116.66 106.67 1ug0 n ARG 68 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 1ug0 n ARG 68 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 32.46 32.34 1ug0 n ARG 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1ug0 h GLU 69 N 0.00 0.09 0.00 2.89 5.08 -1.91 -3.33 114.58 117.40 1ug0 h GLU 69 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ug0 h GLU 69 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ug0 h GLU 69 CO 0.00 1.07 0.17 0.35 -1.00 0.00 0.00 179.01 179.59 1ug0 h PHE 70 N -0.67 0.00 0.03 4.33 3.04 -1.80 -1.01 116.94 120.86 1ug0 h PHE 70 Ca -0.37 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.58 1ug0 h PHE 70 Cb 1.53 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.04 1ug0 h PHE 70 CO 0.09 0.00 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.30 1ug0 h LEU 71 N 0.00 -0.03 -0.74 0.59 3.38 -1.78 -3.34 115.31 113.38 1ug0 h LEU 71 Ca 0.00 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.64 1ug0 h LEU 71 Cb 0.33 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1ug0 h LEU 71 CO 0.00 0.65 0.43 0.22 0.09 0.00 0.00 178.44 179.83 1ug0 h TYR 72 N -0.99 0.78 -1.54 1.13 3.20 -1.34 -0.70 116.97 117.51 1ug0 h TYR 72 Ca -0.00 0.03 0.45 0.00 3.14 0.00 0.00 58.73 62.34 1ug0 h TYR 72 Cb 0.42 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.38 1ug0 h TYR 72 CO 0.11 0.36 1.10 -0.92 -1.64 0.00 0.00 178.16 177.17 1ug0 h TYR 73 N 0.76 0.08 0.01 -3.82 3.20 -1.36 1.17 116.97 117.00 1ug0 h TYR 73 Ca 0.34 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.89 1ug0 h TYR 73 Cb 0.23 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 1ug0 h TYR 73 CO -0.07 -0.02 -1.98 0.54 -1.64 0.00 0.00 178.16 175.00 1ug0 n ARG 74 N -4.14 0.66 -0.17 1.82 3.00 -0.35 -2.90 116.66 114.58 1ug0 n ARG 74 Ca 0.35 0.19 0.05 0.00 -0.01 0.00 0.00 57.85 58.44 1ug0 n ARG 74 Cb 1.59 -1.69 0.34 0.00 0.00 0.00 0.00 32.46 32.70 1ug0 n ARG 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ug0 h ARG 75 N 0.01 0.75 0.10 5.56 2.47 0.22 -1.97 114.38 121.52 1ug0 h ARG 75 Ca -0.39 -0.05 -0.32 0.00 -1.26 0.00 0.00 59.98 57.97 1ug0 h ARG 75 Cb 2.08 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 30.22 1ug0 h ARG 75 CO 0.06 0.50 -1.65 0.87 0.56 0.00 0.00 179.97 180.30 1ug0 h LYS 76 N 0.77 0.22 -1.00 0.04 1.79 -1.18 -3.33 116.57 113.88 1ug0 h LYS 76 Ca 0.29 -0.37 0.38 0.00 -2.18 0.00 0.00 60.65 58.78 1ug0 h LYS 76 Cb 0.17 0.14 -0.17 0.00 -1.58 0.00 0.00 32.23 30.79 1ug0 h LYS 76 CO -0.09 1.04 0.51 0.28 -1.08 0.00 0.00 179.45 180.11 1ug0 h VAL 77 N 0.06 0.08 -0.23 0.50 2.07 -1.23 1.78 116.25 119.28 1ug0 h VAL 77 Ca -0.28 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1ug0 h VAL 77 Cb 2.02 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1ug0 h VAL 77 CO 0.14 0.02 0.06 0.00 0.02 0.00 0.00 177.57 177.80 1ug0 h ALA 78 N 1.96 0.31 0.63 1.67 0.00 -1.62 1.19 119.26 123.40 1ug0 h ALA 78 Ca 0.80 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 1ug0 h ALA 78 Cb 2.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1ug0 h ALA 78 CO -0.74 -0.04 -0.47 1.49 0.00 0.00 0.00 179.25 179.49 1ug0 h GLU 79 N 0.20 -1.02 -0.79 0.00 4.57 0.24 -2.14 114.58 115.65 1ug0 h GLU 79 Ca 0.07 0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1ug0 h GLU 79 Cb 0.28 0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 1ug0 h GLU 79 CO 0.00 -0.68 0.45 0.97 -1.18 0.00 0.00 179.01 178.57 1ug0 h ILE 80 N -1.05 1.23 -0.76 2.32 -0.00 -0.85 -3.00 117.51 115.39 1ug0 h ILE 80 Ca -0.08 -0.54 0.07 0.00 -0.00 0.00 0.00 64.86 64.31 1ug0 h ILE 80 Cb 0.87 0.16 -0.10 0.00 -0.00 0.00 0.00 36.82 37.76 1ug0 h ILE 80 CO 0.03 0.25 -0.49 0.03 -0.00 0.00 0.00 178.15 177.97 1ug0 h ARG 81 N 1.08 -0.05 0.00 2.19 2.47 0.18 -2.35 114.38 117.90 1ug0 h ARG 81 Ca 0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1ug0 h ARG 81 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1ug0 h ARG 81 CO -0.05 -0.03 0.00 1.17 0.56 0.00 0.00 179.97 181.62 1ug0 n LYS 82 N -4.88 0.00 -3.65 0.04 3.00 -0.83 -4.79 118.16 107.05 1ug0 n LYS 82 Ca 0.01 0.67 -0.15 0.00 -0.00 0.00 0.00 58.31 58.84 1ug0 n LYS 82 Cb 0.23 -1.18 -0.08 0.00 0.00 0.00 0.00 35.03 33.99 1ug0 n LYS 82 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1ug0 s SER 83 N -2.97 -0.51 -0.44 3.14 0.01 -0.89 -5.10 113.70 106.95 1ug0 s SER 83 Ca 0.00 0.73 0.04 0.00 1.31 0.00 0.00 55.95 58.03 1ug0 s SER 83 Cb 0.00 0.73 0.27 0.00 0.21 0.00 0.00 66.02 67.23 1ug0 s SER 83 CO 0.00 -0.39 1.05 0.61 0.41 0.00 0.00 173.24 174.92 1ug0 n GLY 84 N 1.78 -0.31 0.00 3.44 0.00 -1.25 -4.60 105.19 104.26 1ug0 n GLY 84 Ca -0.17 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ug0 n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug0 n PRO 85 N 1.23 0.00 0.00 1.61 -0.04 -1.26 -5.08 135.00 131.46 1ug0 n PRO 85 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ug0 n PRO 85 Cb 0.67 -0.27 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1ug0 n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug0 n SER 86 N -0.15 0.00 -4.55 3.54 2.88 -1.26 -5.09 113.62 108.99 1ug0 n SER 86 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1ug0 n SER 86 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1ug0 n SER 86 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ug0 s SER 87 N 0.00 5.98 0.00 -3.46 0.15 -1.26 -5.33 113.70 109.78 1ug0 s SER 87 Ca 0.00 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1ug0 s SER 87 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1ug0 s SER 87 CO 0.00 -1.95 0.00 0.61 1.20 0.00 0.00 173.24 173.10