#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug0 n SER 2 N 0.00 -6.75 -1.63 1.61 2.88 -1.26 -4.85 113.62 103.62 1ug0 n SER 2 Ca 0.00 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1ug0 n SER 2 Cb 0.00 -4.46 0.00 0.00 -0.75 0.00 0.00 64.21 59.00 1ug0 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ug0 n SER 3 N 0.17 -8.55 0.00 -3.46 7.64 -1.26 -4.92 113.62 103.24 1ug0 n SER 3 Ca 0.04 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1ug0 n SER 3 Cb 0.15 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 1ug0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug0 n GLY 4 N 0.25 2.15 3.50 0.23 0.00 -1.26 -4.97 105.19 105.09 1ug0 n GLY 4 Ca 0.00 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 1ug0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug0 s SER 5 N -3.22 6.94 0.01 1.61 0.01 -1.26 -4.98 113.70 112.81 1ug0 s SER 5 Ca 0.00 -2.68 -0.26 0.00 1.31 0.00 0.00 55.95 54.33 1ug0 s SER 5 Cb 0.00 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 1ug0 s SER 5 CO 0.00 -0.93 0.80 -0.94 0.41 0.00 0.00 173.24 172.58 1ug0 s SER 6 N 3.40 7.20 0.03 2.44 1.04 -1.26 -4.97 113.70 121.58 1ug0 s SER 6 Ca 0.45 1.44 0.01 0.00 0.48 0.00 0.00 55.95 58.33 1ug0 s SER 6 Cb -0.01 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 1ug0 s SER 6 CO 0.01 -0.07 -0.06 -0.83 0.98 0.00 0.00 173.24 173.27 1ug0 s GLY 7 N 0.33 0.41 0.00 7.32 0.00 -1.26 -5.03 107.32 109.10 1ug0 s GLY 7 Ca 0.41 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1ug0 s GLY 7 CO 0.23 -0.75 0.00 -2.21 0.00 0.00 0.00 173.10 170.37 1ug0 n GLU 8 N 1.53 0.00 -0.21 2.90 2.13 -1.26 -4.93 120.64 120.80 1ug0 n GLU 8 Ca -0.23 0.00 0.30 0.00 0.66 0.00 0.00 57.16 57.89 1ug0 n GLU 8 Cb 0.55 0.00 0.61 0.00 0.27 0.00 0.00 31.44 32.87 1ug0 n GLU 8 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ug0 h GLU 9 N 0.00 0.00 -0.75 5.31 4.81 -2.02 0.70 114.58 122.63 1ug0 h GLU 9 Ca 0.00 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 1ug0 h GLU 9 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1ug0 h GLU 9 CO 0.00 0.00 0.80 -0.44 -0.73 0.00 0.00 179.01 178.64 1ug0 h ASP 10 N 0.00 0.00 -0.61 1.04 5.19 -1.98 0.47 116.42 120.53 1ug0 h ASP 10 Ca 0.48 0.00 0.18 0.00 -0.62 0.00 0.00 57.03 57.07 1ug0 h ASP 10 Cb 2.47 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.96 1ug0 h ASP 10 CO -0.01 0.00 0.71 0.10 -3.12 0.00 0.00 179.24 176.93 1ug0 h TYR 11 N 0.00 0.00 0.00 4.55 -0.00 0.06 1.51 116.97 123.09 1ug0 h TYR 11 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 59.00 1ug0 h TYR 11 Cb 1.96 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.67 1ug0 h TYR 11 CO 0.00 0.00 -1.62 -0.85 -0.00 0.00 0.00 178.16 175.69 1ug0 n GLU 12 N -3.51 0.64 0.10 0.10 0.28 0.16 -3.96 120.64 114.45 1ug0 n GLU 12 Ca 0.12 0.02 0.08 0.00 -0.16 0.00 0.00 57.16 57.22 1ug0 n GLU 12 Cb 0.93 -1.68 0.39 0.00 1.43 0.00 0.00 31.44 32.51 1ug0 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ug0 n GLN 13 N -2.59 0.10 -0.07 3.44 -0.00 0.52 -1.46 117.38 117.31 1ug0 n GLN 13 Ca -0.08 0.55 -0.18 0.00 -0.00 0.00 0.00 57.00 57.29 1ug0 n GLN 13 Cb 0.70 -1.78 -0.13 0.00 -0.00 0.00 0.00 30.24 29.03 1ug0 n GLN 13 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1ug0 h TRP 14 N 0.00 0.07 -1.03 2.61 4.06 -1.65 -3.28 115.95 116.73 1ug0 h TRP 14 Ca 0.00 -0.05 0.30 0.00 2.06 0.00 0.00 58.89 61.20 1ug0 h TRP 14 Cb 0.06 -0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 1ug0 h TRP 14 CO 0.00 1.25 0.98 -0.07 -3.56 0.00 0.00 178.44 177.05 1ug0 h LEU 15 N -0.90 0.00 -1.24 -4.49 4.07 -1.44 1.61 115.31 112.91 1ug0 h LEU 15 Ca -0.17 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.82 1ug0 h LEU 15 Cb 1.22 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.92 1ug0 h LEU 15 CO -0.07 0.00 0.52 -0.33 -1.08 0.00 0.00 178.44 177.49 1ug0 h GLU 16 N 0.00 0.98 -4.12 1.13 5.08 -1.60 -3.32 114.58 112.72 1ug0 h GLU 16 Ca 0.49 -0.06 -0.69 0.00 -1.00 0.00 0.00 59.36 58.10 1ug0 h GLU 16 Cb 2.45 -0.22 -0.35 0.00 0.50 0.00 0.00 28.75 31.13 1ug0 h GLU 16 CO -0.01 0.65 -0.48 0.42 -1.00 0.00 0.00 179.01 178.59 1ug0 s ILE 17 N -5.85 3.44 1.20 3.13 1.09 0.55 -5.09 121.20 119.67 1ug0 s ILE 17 Ca -0.11 -2.43 -0.16 0.00 -1.10 0.00 0.00 60.65 56.85 1ug0 s ILE 17 Cb 0.18 -3.31 0.29 0.00 -1.06 0.00 0.00 42.46 38.56 1ug0 s ILE 17 CO 0.79 -0.77 1.03 -0.54 -0.10 0.00 0.00 174.94 175.35 1ug0 s LYS 18 N 0.65 -1.20 0.11 2.79 -0.14 -1.25 -4.94 119.74 115.76 1ug0 s LYS 18 Ca 0.12 0.43 -0.22 0.00 -1.36 0.00 0.00 55.97 54.95 1ug0 s LYS 18 Cb -0.22 -1.55 -0.07 0.00 -1.68 0.00 0.00 37.83 34.31 1ug0 s LYS 18 CO -0.04 -3.81 0.64 0.08 -0.76 0.00 0.00 175.35 171.47 1ug0 s VAL 19 N -2.62 4.60 0.22 3.17 1.01 -1.26 -5.08 120.40 120.44 1ug0 s VAL 19 Ca 0.68 1.40 0.07 0.00 0.00 0.00 0.00 61.98 64.13 1ug0 s VAL 19 Cb -0.18 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1ug0 s VAL 19 CO 0.60 0.54 0.08 -0.55 0.00 0.00 0.00 175.10 175.78 1ug0 s SER 20 N -1.12 5.07 1.00 3.32 0.15 -1.26 -4.27 113.70 116.59 1ug0 s SER 20 Ca 0.31 -0.37 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 1ug0 s SER 20 Cb -0.21 -1.16 0.20 0.00 -1.71 0.00 0.00 66.02 63.14 1ug0 s SER 20 CO 0.22 0.03 1.18 -2.16 1.20 0.00 0.00 173.24 173.71 1ug0 s PRO 21 N -3.42 0.36 0.00 5.44 0.04 -1.26 -4.71 135.00 131.44 1ug0 s PRO 21 Ca 0.31 -0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.47 1ug0 s PRO 21 Cb -0.08 -1.78 0.82 0.00 0.04 0.00 0.00 34.50 33.50 1ug0 s PRO 21 CO 0.22 -2.67 1.35 -0.35 0.04 0.00 0.00 177.00 175.59 1ug0 n PRO 22 N -4.03 0.75 0.24 0.56 -0.04 -1.26 -2.90 135.00 128.32 1ug0 n PRO 22 Ca 0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1ug0 n PRO 22 Cb 0.59 -1.29 0.49 0.00 -0.04 0.00 0.00 33.50 33.26 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 -2.51 114.58 115.23 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 0.14 0.00 0.41 -1.18 0.00 0.00 179.01 178.38 1ug0 n GLY 24 N 0.24 -1.18 0.47 1.92 0.00 -1.14 -3.23 105.19 102.28 1ug0 n GLY 24 Ca 0.01 0.04 0.40 0.00 0.00 0.00 0.00 46.02 46.46 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 2.35 2.81 0.48 4.61 0.00 -1.71 1.16 119.26 128.96 1ug0 h ALA 25 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ug0 h ALA 25 Cb 0.32 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ug0 h ALA 25 CO 0.00 -1.51 -0.46 0.93 0.00 0.00 0.00 179.25 178.21 1ug0 h GLU 26 N 0.01 -0.91 0.00 0.00 5.08 -1.82 -2.60 114.58 114.34 1ug0 h GLU 26 Ca 0.88 0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 59.18 1ug0 h GLU 26 Cb 2.81 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 32.25 1ug0 h GLU 26 CO -0.48 -0.60 -0.61 1.15 -1.00 0.00 0.00 179.01 177.47 1ug0 h THR 27 N -0.94 1.34 -1.47 1.13 2.02 0.01 -3.13 112.91 111.87 1ug0 h THR 27 Ca -0.05 -2.15 0.43 0.00 0.77 0.00 0.00 66.41 65.41 1ug0 h THR 27 Cb 0.82 2.19 -0.06 0.00 -1.74 0.00 0.00 68.15 69.36 1ug0 h THR 27 CO -0.05 0.59 1.25 -0.09 0.37 0.00 0.00 175.52 177.59 1ug0 h ARG 28 N 0.00 0.00 0.08 6.66 1.12 0.14 1.01 114.38 123.40 1ug0 h ARG 28 Ca -0.01 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1ug0 h ARG 28 Cb 1.14 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 1ug0 h ARG 28 CO 0.08 0.00 -0.04 0.00 -3.11 0.00 0.00 179.97 176.90 1ug0 h ARG 29 N 0.00 -0.11 0.00 0.20 3.08 -1.53 -1.60 114.38 114.43 1ug0 h ARG 29 Ca 0.70 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.75 1ug0 h ARG 29 Cb 3.19 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 33.27 1ug0 h ARG 29 CO -0.01 0.43 -0.03 -0.24 -1.07 0.00 0.00 179.97 179.05 1ug0 h VAL 30 N -0.81 0.92 -0.18 2.04 3.04 0.69 -1.39 116.25 120.55 1ug0 h VAL 30 Ca -0.01 -0.11 -0.10 0.00 -1.01 0.00 0.00 66.70 65.46 1ug0 h VAL 30 Cb 0.59 1.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1ug0 h VAL 30 CO 0.02 0.03 -0.29 0.40 -1.01 0.00 0.00 177.57 176.72 1ug0 h ILE 31 N 0.00 1.34 -1.41 3.17 2.04 -0.56 -1.96 117.51 120.14 1ug0 h ILE 31 Ca -0.00 -1.51 0.41 0.00 1.00 0.00 0.00 64.86 64.75 1ug0 h ILE 31 Cb 0.06 1.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 1ug0 h ILE 31 CO 0.00 0.46 1.04 -0.33 0.00 0.00 0.00 178.15 179.32 1ug0 h GLU 32 N 0.17 0.00 0.04 2.37 5.08 -0.21 1.65 114.58 123.68 1ug0 h GLU 32 Ca 0.02 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.06 1ug0 h GLU 32 Cb 0.87 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1ug0 h GLU 32 CO 0.07 0.00 -1.83 1.63 -1.00 0.00 0.00 179.01 177.87 1ug0 n LYS 33 N -4.06 0.68 0.00 2.33 4.76 -1.10 -2.85 118.16 117.91 1ug0 n LYS 33 Ca 0.31 0.28 -0.13 0.00 -2.87 0.00 0.00 58.31 55.90 1ug0 n LYS 33 Cb 1.49 -1.76 -0.09 0.00 -1.84 0.00 0.00 35.03 32.83 1ug0 n LYS 33 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1ug0 h LEU 34 N 0.02 0.02 -1.39 -0.35 5.85 0.27 1.39 115.31 121.12 1ug0 h LEU 34 Ca -0.34 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.00 1ug0 h LEU 34 Cb 2.03 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.04 1ug0 h LEU 34 CO 0.08 0.34 -0.26 0.00 -0.34 0.00 0.00 178.44 178.25 1ug0 h ALA 35 N 0.69 1.50 0.02 1.25 0.00 0.90 -1.36 119.26 122.25 1ug0 h ALA 35 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ug0 h ALA 35 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ug0 h ALA 35 CO 0.00 0.37 -0.01 -0.09 0.00 0.00 0.00 179.25 179.52 1ug0 h ARG 36 N 0.06 -0.02 -0.65 0.00 2.43 -1.34 -1.49 114.38 113.37 1ug0 h ARG 36 Ca 0.01 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.37 1ug0 h ARG 36 Cb 0.50 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1ug0 h ARG 36 CO 0.04 -0.01 0.86 0.35 -1.51 0.00 0.00 179.97 179.69 1ug0 h PHE 37 N -0.18 0.00 0.00 2.20 3.57 0.18 1.07 116.94 123.78 1ug0 h PHE 37 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ug0 h PHE 37 Cb 0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1ug0 h PHE 37 CO 0.02 0.00 0.00 0.28 -2.23 0.00 0.00 178.31 176.38 1ug0 n VAL 38 N -3.32 0.00 -0.11 1.41 0.31 -0.51 -2.77 118.33 113.34 1ug0 n VAL 38 Ca 0.14 0.22 0.26 0.00 -0.01 0.00 0.00 64.34 64.94 1ug0 n VAL 38 Cb 1.07 -0.73 0.60 0.00 -0.91 0.00 0.00 33.84 33.87 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 2.64 0.32 3.52 0.00 -0.70 1.46 119.26 124.50 1ug0 h ALA 39 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ug0 h ALA 39 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ug0 h ALA 39 CO 0.00 -1.30 -0.15 1.49 0.00 0.00 0.00 179.25 179.29 1ug0 h GLU 40 N 0.00 -0.41 0.00 0.00 4.57 0.10 -3.40 114.58 115.44 1ug0 h GLU 40 Ca 0.38 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1ug0 h GLU 40 Cb 2.15 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.83 1ug0 h GLU 40 CO -0.00 -0.08 -0.50 0.41 -1.18 0.00 0.00 179.01 177.65 1ug0 n GLY 41 N -0.16 -0.82 0.00 1.92 0.00 0.16 -5.07 105.19 101.22 1ug0 n GLY 41 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1ug0 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug0 n GLY 42 N 1.61 -0.08 0.13 -0.02 0.00 0.45 -4.91 105.19 102.37 1ug0 n GLY 42 Ca -0.07 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 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 0.17 -0.96 1.61 0.13 -1.96 -3.13 132.00 127.86 1ug0 h PRO 43 Ca 0.00 -0.17 0.25 0.00 -0.87 0.00 0.00 66.00 65.21 1ug0 h PRO 43 Cb 0.00 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.11 1ug0 h PRO 43 CO 0.00 0.88 0.65 0.93 -0.23 0.00 0.00 178.00 180.23 1ug0 h GLU 44 N 0.10 0.23 -0.01 0.86 5.08 -1.94 0.31 114.58 119.21 1ug0 h GLU 44 Ca -0.03 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 1ug0 h GLU 44 Cb 1.39 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.60 1ug0 h GLU 44 CO 0.12 0.15 -0.61 -0.07 -1.00 0.00 0.00 179.01 177.60 1ug0 h LEU 45 N 0.24 0.56 -1.14 1.33 -0.00 -1.85 -1.80 115.31 112.65 1ug0 h LEU 45 Ca 0.49 -0.75 0.09 0.00 -0.00 0.00 0.00 57.88 57.72 1ug0 h LEU 45 Cb 1.52 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 41.95 1ug0 h LEU 45 CO -0.13 1.23 0.60 -0.08 -0.00 0.00 0.00 178.44 180.05 1ug0 h GLU 46 N -0.06 0.94 0.43 1.13 4.81 -0.54 0.66 114.58 121.94 1ug0 h GLU 46 Ca -0.07 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1ug0 h GLU 46 Cb 1.31 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1ug0 h GLU 46 CO 0.12 0.62 -0.21 0.87 -0.73 0.00 0.00 179.01 179.68 1ug0 h LYS 47 N 0.97 -0.56 -0.87 1.92 1.57 -0.87 -2.96 116.57 115.77 1ug0 h LYS 47 Ca 0.42 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.43 1ug0 h LYS 47 Cb 0.35 0.13 -0.11 0.00 0.08 0.00 0.00 32.23 32.68 1ug0 h LYS 47 CO -0.18 -0.31 0.41 0.28 -0.57 0.00 0.00 179.45 179.07 1ug0 h VAL 48 N -1.10 0.59 -0.23 0.50 2.07 -1.00 -0.78 116.25 116.30 1ug0 h VAL 48 Ca -0.06 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1ug0 h VAL 48 Cb 0.50 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 1ug0 h VAL 48 CO 0.10 0.09 -0.55 0.00 0.02 0.00 0.00 177.57 177.23 1ug0 h ALA 49 N 1.64 -0.86 -0.69 1.67 0.00 0.33 1.00 119.26 122.36 1ug0 h ALA 49 Ca 0.52 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.58 1ug0 h ALA 49 Cb 0.88 1.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 1ug0 h ALA 49 CO -0.45 -1.08 0.77 0.52 0.00 0.00 0.00 179.25 179.01 1ug0 h MET 50 N -0.52 0.00 0.10 0.00 2.07 -0.97 0.89 114.93 116.50 1ug0 h MET 50 Ca 0.05 0.00 -0.34 0.00 -2.07 0.00 0.00 59.70 57.34 1ug0 h MET 50 Cb 0.65 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.37 1ug0 h MET 50 CO -0.49 0.00 -1.82 1.49 1.07 0.00 0.00 176.91 177.16 1ug0 h GLU 51 N 0.00 0.22 -0.71 1.72 4.57 0.65 -1.72 114.58 119.30 1ug0 h GLU 51 Ca 0.33 -0.37 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1ug0 h GLU 51 Cb 1.87 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 30.57 1ug0 h GLU 51 CO -0.00 1.05 0.19 0.22 -1.18 0.00 0.00 179.01 179.28 1ug0 h ASP 52 N 0.06 1.06 -0.42 1.04 1.82 0.76 -2.71 116.42 118.03 1ug0 h ASP 52 Ca -0.35 -0.22 -0.16 0.00 -0.39 0.00 0.00 57.03 55.91 1ug0 h ASP 52 Cb 2.03 -0.28 -0.10 0.00 0.68 0.00 0.00 39.33 41.67 1ug0 h ASP 52 CO 0.11 1.01 0.05 -1.22 -1.61 0.00 0.00 179.24 177.58 1ug0 n TYR 53 N -4.24 1.37 -0.35 0.28 4.01 0.88 -4.66 117.16 114.45 1ug0 n TYR 53 Ca 0.05 -1.36 0.15 0.00 -0.16 0.00 0.00 57.90 56.58 1ug0 n TYR 53 Cb 0.25 -0.50 0.34 0.00 -0.31 0.00 0.00 39.34 39.12 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 1.41 0.66 -2.27 -0.72 3.11 -0.96 -2.05 116.57 115.75 1ug0 h LYS 54 Ca 0.20 -0.04 -0.62 0.00 -2.81 0.00 0.00 60.65 57.38 1ug0 h LYS 54 Cb 1.78 -0.15 -0.41 0.00 -1.00 0.00 0.00 32.23 32.45 1ug0 h LYS 54 CO 0.44 0.44 -0.47 -3.47 -2.81 0.00 0.00 179.45 173.58 1ug0 n ASP 55 N -4.82 4.43 -3.80 4.20 -0.08 -1.26 -5.00 116.55 110.22 1ug0 n ASP 55 Ca 0.25 -3.57 -0.24 0.00 -1.51 0.00 0.00 54.79 49.71 1ug0 n ASP 55 Cb 0.64 -0.67 -0.17 0.00 2.34 0.00 0.00 41.12 43.25 1ug0 n ASP 55 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1ug0 s ASN 56 N -2.87 1.75 0.00 1.67 0.02 -0.77 -4.99 114.94 109.74 1ug0 s ASN 56 Ca 0.44 -0.15 0.22 0.00 -1.02 0.00 0.00 52.86 52.35 1ug0 s ASN 56 Cb 0.21 -0.53 1.07 0.00 0.02 0.00 0.00 41.25 42.01 1ug0 s ASN 56 CO -0.07 -0.18 1.72 -0.81 0.02 0.00 0.00 177.10 177.78 1ug0 n PRO 57 N 5.10 0.20 0.03 -0.60 -0.04 -1.26 -2.21 135.00 136.23 1ug0 n PRO 57 Ca -0.08 0.09 0.09 0.00 -0.04 0.00 0.00 63.50 63.56 1ug0 n PRO 57 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.36 2.58 -1.21 0.55 0.00 -1.26 -4.06 120.51 115.74 1ug0 n ALA 58 Ca 0.09 -0.45 -0.07 0.00 0.00 0.00 0.00 53.44 53.00 1ug0 n ALA 58 Cb 0.21 -0.87 0.24 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.48 1.92 0.42 0.00 3.72 -0.94 -4.50 117.46 115.60 1ug0 n PHE 59 Ca -0.04 -1.43 0.09 0.00 -0.05 0.00 0.00 57.45 56.02 1ug0 n PHE 59 Cb 0.61 -0.63 0.40 0.00 -0.94 0.00 0.00 39.48 38.92 1ug0 n PHE 59 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ug0 n THR 60 N -0.76 0.96 -0.09 4.37 -2.24 -1.17 -2.41 114.28 112.93 1ug0 n THR 60 Ca 0.40 0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 62.32 1ug0 n THR 60 Cb 1.27 -1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 1.04 -0.25 4.78 -0.00 -1.89 -3.20 116.94 117.43 1ug0 h PHE 61 Ca 0.00 -0.32 0.02 0.00 -0.00 0.00 0.00 57.97 57.67 1ug0 h PHE 61 Cb 0.29 -0.22 -0.03 0.00 -0.00 0.00 0.00 35.95 35.99 1ug0 h PHE 61 CO 0.00 1.13 -0.14 1.28 -0.00 0.00 0.00 178.31 180.58 1ug0 n LEU 62 N -4.04 -0.26 -0.20 2.10 4.77 -1.01 0.03 117.00 118.38 1ug0 n LEU 62 Ca -0.02 1.17 -0.02 0.00 -0.03 0.00 0.00 56.01 57.11 1ug0 n LEU 62 Cb 0.56 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1ug0 n LEU 62 CO 0.48 -0.72 0.71 0.45 -1.33 0.00 0.00 177.39 176.98 1ug0 h HIS 63 N 0.00 -0.48 -2.18 -1.77 3.86 -1.76 -3.36 115.15 109.46 1ug0 h HIS 63 Ca 0.04 0.06 -0.58 0.00 -1.16 0.00 0.00 60.37 58.72 1ug0 h HIS 63 Cb 0.10 0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1ug0 h HIS 63 CO -0.94 -0.30 1.43 -0.51 0.86 0.00 0.00 177.93 178.46 1ug0 s ASP 64 N -5.21 5.60 -0.41 2.45 1.11 0.10 -4.82 116.67 115.49 1ug0 s ASP 64 Ca -0.14 1.76 0.05 0.00 0.18 0.00 0.00 52.55 54.40 1ug0 s ASP 64 Cb 0.18 -2.52 0.54 0.00 1.07 0.00 0.00 42.92 42.20 1ug0 s ASP 64 CO 0.73 -1.87 1.69 0.29 1.18 0.00 0.00 175.17 177.19 1ug0 n LYS 65 N 8.63 2.32 -2.66 8.23 5.02 -1.26 -4.34 118.16 134.10 1ug0 n LYS 65 Ca 0.28 -3.27 -0.04 0.00 -2.02 0.00 0.00 58.31 53.26 1ug0 n LYS 65 Cb 0.45 -2.07 0.03 0.00 -0.02 0.00 0.00 35.03 33.42 1ug0 n LYS 65 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ug0 n ASN 66 N -1.05 -1.23 0.00 4.39 3.02 -1.26 -4.98 115.26 114.16 1ug0 n ASN 66 Ca 0.48 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 1ug0 n ASN 66 Cb 1.15 1.06 0.00 0.00 -0.61 0.00 0.00 39.78 41.38 1ug0 n ASN 66 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ug0 n SER 67 N -0.27 0.00 0.00 6.41 3.41 -1.26 -5.07 113.62 116.83 1ug0 n SER 67 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1ug0 n SER 67 Cb 0.69 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1ug0 n SER 67 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1ug0 n ARG 68 N -2.37 0.00 -0.05 4.33 0.00 -1.26 -4.90 116.66 112.41 1ug0 n ARG 68 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 1ug0 n ARG 68 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.36 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 -0.03 -0.01 2.89 3.07 -1.91 -2.99 114.58 115.61 1ug0 h GLU 69 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ug0 h GLU 69 Cb 0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1ug0 h GLU 69 CO 0.00 0.68 0.03 0.35 -1.40 0.00 0.00 179.01 178.67 1ug0 h PHE 70 N -0.95 0.00 -0.01 4.33 3.57 -1.78 -0.58 116.94 121.52 1ug0 h PHE 70 Ca -0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1ug0 h PHE 70 Cb 0.72 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.46 1ug0 h PHE 70 CO 0.19 0.00 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.89 1ug0 h LEU 71 N 0.00 0.29 -0.25 0.59 3.38 -1.88 -3.19 115.31 114.26 1ug0 h LEU 71 Ca 0.00 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.21 1ug0 h LEU 71 Cb 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ug0 h LEU 71 CO -0.00 1.00 0.07 0.22 0.09 0.00 0.00 178.44 179.81 1ug0 h TYR 72 N -0.38 0.42 -1.08 1.13 3.20 -1.07 -2.66 116.97 116.52 1ug0 h TYR 72 Ca -0.03 -0.05 0.30 0.00 3.14 0.00 0.00 58.73 62.08 1ug0 h TYR 72 Cb 1.03 -0.12 -0.10 0.00 1.54 0.00 0.00 36.73 39.08 1ug0 h TYR 72 CO 0.16 0.48 0.69 -0.92 -1.64 0.00 0.00 178.16 176.93 1ug0 h TYR 73 N 0.23 0.68 -0.01 -3.82 3.20 -1.25 1.08 116.97 117.08 1ug0 h TYR 73 Ca 0.08 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.81 1ug0 h TYR 73 Cb 0.27 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1ug0 h TYR 73 CO 0.01 0.00 -0.74 0.00 -1.64 0.00 0.00 178.16 175.79 1ug0 h ARG 74 N 0.35 0.11 0.00 1.82 2.47 -1.46 -2.97 114.38 114.70 1ug0 h ARG 74 Ca 0.64 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 59.27 1ug0 h ARG 74 Cb 1.67 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.02 1ug0 h ARG 74 CO -0.35 0.80 0.00 0.54 0.56 0.00 0.00 179.97 181.52 1ug0 n ARG 75 N -3.72 0.00 -0.29 0.04 1.74 0.36 -3.49 116.66 111.30 1ug0 n ARG 75 Ca -0.02 0.31 0.16 0.00 -0.77 0.00 0.00 57.85 57.54 1ug0 n ARG 75 Cb 0.71 -1.10 0.32 0.00 -1.02 0.00 0.00 32.46 31.36 1ug0 n ARG 75 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ug0 n LYS 76 N -1.43 -0.06 -0.34 5.56 4.76 -0.35 0.23 118.16 126.52 1ug0 n LYS 76 Ca 0.00 1.26 0.15 0.00 -2.87 0.00 0.00 58.31 56.85 1ug0 n LYS 76 Cb 0.00 -2.07 0.30 0.00 -1.84 0.00 0.00 35.03 31.43 1ug0 n LYS 76 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ug0 h VAL 77 N 0.00 0.02 -0.33 -0.18 2.07 -1.56 1.57 116.25 117.83 1ug0 h VAL 77 Ca 0.57 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.14 1ug0 h VAL 77 Cb 1.29 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1ug0 h VAL 77 CO -0.77 0.00 0.05 0.00 0.02 0.00 0.00 177.57 176.87 1ug0 h ALA 78 N 1.99 0.34 0.14 1.67 0.00 0.28 1.52 119.26 125.20 1ug0 h ALA 78 Ca 0.61 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.59 1ug0 h ALA 78 Cb 1.28 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ug0 h ALA 78 CO -0.92 -0.36 -0.12 1.49 0.00 0.00 0.00 179.25 179.34 1ug0 h GLU 79 N 0.16 -0.24 -1.00 0.00 4.57 0.22 -0.32 114.58 117.96 1ug0 h GLU 79 Ca 0.16 0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.51 1ug0 h GLU 79 Cb 0.19 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 28.74 1ug0 h GLU 79 CO -0.22 -0.16 0.62 0.97 -1.18 0.00 0.00 179.01 179.03 1ug0 h ILE 80 N -0.25 0.80 -0.32 2.32 -0.00 -1.01 -0.96 117.51 118.09 1ug0 h ILE 80 Ca -0.02 -0.30 0.07 0.00 -0.00 0.00 0.00 64.86 64.62 1ug0 h ILE 80 Cb 0.21 -0.13 -0.08 0.00 -0.00 0.00 0.00 36.82 36.82 1ug0 h ILE 80 CO -0.00 0.16 -0.27 0.03 -0.00 0.00 0.00 178.15 178.07 1ug0 h ARG 81 N 0.86 -0.23 -6.00 2.19 2.47 0.26 -3.42 114.38 110.51 1ug0 h ARG 81 Ca 0.54 0.02 -0.64 0.00 -1.26 0.00 0.00 59.98 58.64 1ug0 h ARG 81 Cb 0.72 0.05 0.14 0.00 -1.65 0.00 0.00 29.97 29.23 1ug0 h ARG 81 CO -0.32 -0.15 -0.82 1.17 0.56 0.00 0.00 179.97 180.40 1ug0 n LYS 82 N -5.40 0.00 -1.12 0.04 0.00 -0.17 -3.90 118.16 107.62 1ug0 n LYS 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1ug0 n LYS 82 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 35.03 34.34 1ug0 n LYS 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ug0 n SER 83 N 2.24 -1.43 0.00 3.14 2.88 -1.26 -5.02 113.62 114.17 1ug0 n SER 83 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1ug0 n SER 83 Cb 0.35 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ug0 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug0 n GLY 84 N -1.01 2.55 3.45 0.46 0.00 -1.25 -5.12 105.19 104.26 1ug0 n GLY 84 Ca 0.00 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 -2.09 -3.57 1.61 -0.04 -1.26 -5.07 135.00 124.57 1ug0 n PRO 85 Ca 0.00 -1.78 -0.29 0.00 -0.04 0.00 0.00 63.50 61.39 1ug0 n PRO 85 Cb 0.00 -1.40 -0.15 0.00 -0.04 0.00 0.00 33.50 31.90 1ug0 n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug0 s SER 86 N -4.92 3.43 -0.13 3.54 0.15 -1.26 -5.12 113.70 109.39 1ug0 s SER 86 Ca 0.68 -1.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.08 1ug0 s SER 86 Cb -0.04 -0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.85 1ug0 s SER 86 CO 0.50 -0.42 -0.08 -0.55 1.20 0.00 0.00 173.24 173.89 1ug0 s SER 87 N 2.05 4.49 0.00 5.45 0.15 -1.26 -5.35 113.70 119.23 1ug0 s SER 87 Ca 0.08 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1ug0 s SER 87 Cb -0.16 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1ug0 s SER 87 CO -0.32 0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.93