#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 1.81 0.00 1.61 0.01 -1.26 -5.07 113.70 110.80 1ug0 s SER 2 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1ug0 s SER 2 Cb 0.00 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.72 1ug0 s SER 2 CO 0.00 0.12 0.00 -1.20 0.41 0.00 0.00 173.24 172.57 1ug0 n SER 3 N 3.22 0.00 0.00 2.44 7.64 -1.26 -5.05 113.62 120.61 1ug0 n SER 3 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1ug0 n SER 3 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.00 0.25 3.05 0.23 0.00 -1.26 -4.96 105.19 102.50 1ug0 n GLY 4 Ca 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 46.02 45.30 1ug0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ug0 n SER 5 N 0.00 -6.68 -4.26 1.61 2.88 -1.26 -4.94 113.62 100.97 1ug0 n SER 5 Ca 0.00 0.75 -0.35 0.00 -1.33 0.00 0.00 58.87 57.94 1ug0 n SER 5 Cb 0.00 -2.50 -0.14 0.00 -0.75 0.00 0.00 64.21 60.82 1ug0 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ug0 s SER 6 N -0.93 4.54 0.00 -3.46 0.01 -1.26 -4.24 113.70 108.36 1ug0 s SER 6 Ca -0.02 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1ug0 s SER 6 Cb 0.00 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.49 1ug0 s SER 6 CO 0.20 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1ug0 n GLY 7 N 4.75 0.84 1.08 3.44 0.00 -1.26 -4.98 105.19 109.06 1ug0 n GLY 7 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.03 1.61 1.02 -1.26 -4.68 120.64 117.36 1ug0 n GLU 8 Ca 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.35 1ug0 n GLU 8 Cb 0.00 -0.48 0.59 0.00 -0.02 0.00 0.00 31.44 31.53 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 0.00 0.00 -1.56 3.49 3.07 -1.93 0.64 114.58 118.30 1ug0 h GLU 9 Ca 0.00 0.00 0.50 0.00 -0.50 0.00 0.00 59.36 59.36 1ug0 h GLU 9 Cb 0.11 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.91 1ug0 h GLU 9 CO 0.00 0.00 1.05 -0.44 -1.40 0.00 0.00 179.01 178.22 1ug0 h ASP 10 N 0.00 0.14 -0.75 1.42 3.32 -1.83 0.98 116.42 119.70 1ug0 h ASP 10 Ca 0.26 0.10 0.22 0.00 0.02 0.00 0.00 57.03 57.63 1ug0 h ASP 10 Cb 1.76 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 41.38 1ug0 h ASP 10 CO -0.00 -0.16 1.03 0.10 -1.72 0.00 0.00 179.24 178.48 1ug0 h TYR 11 N 0.02 0.00 0.00 4.55 -0.00 -1.17 1.61 116.97 121.98 1ug0 h TYR 11 Ca 0.89 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 59.43 1ug0 h TYR 11 Cb 3.09 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 39.79 1ug0 h TYR 11 CO -0.00 0.00 -1.89 -0.85 -0.00 0.00 0.00 178.16 175.42 1ug0 n GLU 12 N -3.20 1.34 0.22 0.10 0.28 0.34 -3.46 120.64 116.26 1ug0 n GLU 12 Ca 0.16 -0.04 0.15 0.00 -0.16 0.00 0.00 57.16 57.27 1ug0 n GLU 12 Cb 1.27 -1.36 0.73 0.00 1.43 0.00 0.00 31.44 33.50 1ug0 n GLU 12 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1ug0 h GLN 13 N 0.00 0.00 0.05 3.44 3.07 0.23 -0.34 115.11 121.57 1ug0 h GLN 13 Ca -0.27 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.19 1ug0 h GLN 13 Cb 1.53 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.07 1ug0 h GLN 13 CO 0.01 0.00 -1.49 -1.49 0.09 0.00 0.00 178.83 175.96 1ug0 h TRP 14 N 0.00 0.20 0.00 0.06 4.06 -1.28 -3.23 115.95 115.75 1ug0 h TRP 14 Ca 0.00 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 60.81 1ug0 h TRP 14 Cb 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1ug0 h TRP 14 CO 0.00 1.19 0.22 -0.07 -3.56 0.00 0.00 178.44 176.22 1ug0 h LEU 15 N 0.03 0.00 -0.69 -4.49 4.07 -1.24 0.35 115.31 113.33 1ug0 h LEU 15 Ca -0.21 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.63 1ug0 h LEU 15 Cb 1.96 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.68 1ug0 h LEU 15 CO 0.12 0.00 -0.29 -0.33 -1.08 0.00 0.00 178.44 176.87 1ug0 h GLU 16 N 0.00 0.70 -4.00 1.13 5.08 -1.57 -3.36 114.58 112.55 1ug0 h GLU 16 Ca 0.00 -0.30 -0.71 0.00 -1.00 0.00 0.00 59.36 57.34 1ug0 h GLU 16 Cb 0.44 -0.02 -0.32 0.00 0.50 0.00 0.00 28.75 29.35 1ug0 h GLU 16 CO 0.00 0.90 -0.36 0.42 -1.00 0.00 0.00 179.01 178.97 1ug0 s ILE 17 N -4.48 3.97 1.25 3.13 1.09 0.12 -5.08 121.20 121.21 1ug0 s ILE 17 Ca -0.09 -2.40 -0.21 0.00 -1.10 0.00 0.00 60.65 56.86 1ug0 s ILE 17 Cb 0.13 -3.60 0.31 0.00 -1.06 0.00 0.00 42.46 38.24 1ug0 s ILE 17 CO 0.83 -0.83 1.04 0.29 -0.10 0.00 0.00 174.94 176.17 1ug0 n LYS 18 N 4.16 -3.42 -4.51 2.79 4.76 -1.26 -4.95 118.16 115.73 1ug0 n LYS 18 Ca 0.02 -1.68 -0.34 0.00 -2.87 0.00 0.00 58.31 53.44 1ug0 n LYS 18 Cb 0.40 -1.66 -0.10 0.00 -1.84 0.00 0.00 35.03 31.83 1ug0 n LYS 18 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ug0 s VAL 19 N -2.81 3.95 0.29 -0.18 1.01 -1.26 -5.05 120.40 116.36 1ug0 s VAL 19 Ca 0.69 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1ug0 s VAL 19 Cb -0.08 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1ug0 s VAL 19 CO 0.54 0.59 0.45 -0.44 0.00 0.00 0.00 175.10 176.24 1ug0 s SER 20 N -0.89 6.28 1.01 3.32 0.01 -1.26 -4.39 113.70 117.78 1ug0 s SER 20 Ca 0.13 0.22 -0.15 0.00 1.31 0.00 0.00 55.95 57.46 1ug0 s SER 20 Cb -0.11 -1.89 0.20 0.00 0.21 0.00 0.00 66.02 64.42 1ug0 s SER 20 CO 0.02 -0.20 1.18 -2.16 0.41 0.00 0.00 173.24 172.50 1ug0 s PRO 21 N -4.14 0.35 0.00 12.44 0.04 -1.26 -4.66 135.00 137.76 1ug0 s PRO 21 Ca 0.37 -0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.54 1ug0 s PRO 21 Cb -0.09 -1.77 0.83 0.00 0.04 0.00 0.00 34.50 33.51 1ug0 s PRO 21 CO 0.32 -2.68 1.36 -0.35 0.04 0.00 0.00 177.00 175.69 1ug0 n PRO 22 N -4.04 0.75 0.01 0.56 -0.04 -1.26 -3.01 135.00 127.97 1ug0 n PRO 22 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1ug0 n PRO 22 Cb 0.59 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.63 0.00 0.54 4.57 -1.95 -2.93 114.58 115.44 1ug0 h GLU 23 Ca 0.00 -0.52 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1ug0 h GLU 23 Cb 0.00 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1ug0 h GLU 23 CO 0.00 1.14 0.17 0.78 -1.18 0.00 0.00 179.01 179.92 1ug0 h GLY 24 N 0.86 0.00 -0.58 1.92 0.00 -1.87 -2.42 103.07 100.99 1ug0 h GLY 24 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.43 1ug0 h GLY 24 CO 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.44 1ug0 h ALA 25 N 1.60 0.35 0.00 3.60 0.00 -1.75 1.45 119.26 124.51 1ug0 h ALA 25 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1ug0 h ALA 25 Cb 0.34 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1ug0 h ALA 25 CO 0.00 -0.49 -0.40 1.49 0.00 0.00 0.00 179.25 179.85 1ug0 h GLU 26 N -0.04 0.00 0.00 0.00 4.81 -1.68 -2.01 114.58 115.66 1ug0 h GLU 26 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1ug0 h GLU 26 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1ug0 h GLU 26 CO -0.80 0.40 0.00 2.41 -0.73 0.00 0.00 179.01 180.29 1ug0 n THR 27 N -3.86 0.71 -0.33 0.32 -1.04 0.43 -3.28 114.28 107.22 1ug0 n THR 27 Ca -0.01 -0.05 0.29 0.00 -2.04 0.00 0.00 64.05 62.23 1ug0 n THR 27 Cb 0.46 -0.85 0.62 0.00 -1.82 0.00 0.00 70.33 68.73 1ug0 n THR 27 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1ug0 h ARG 28 N 0.00 0.20 0.00 -2.82 -0.00 0.13 1.55 114.38 113.44 1ug0 h ARG 28 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.95 1ug0 h ARG 28 Cb 0.57 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 30.50 1ug0 h ARG 28 CO 0.00 0.13 -0.06 0.00 -0.00 0.00 0.00 179.97 180.04 1ug0 h ARG 29 N 0.20 0.00 0.00 0.08 3.08 -1.75 1.42 114.38 117.41 1ug0 h ARG 29 Ca 0.60 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.39 1ug0 h ARG 29 Cb 1.91 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.91 1ug0 h ARG 29 CO -0.19 0.06 -1.90 0.28 -1.07 0.00 0.00 179.97 177.15 1ug0 n VAL 30 N -4.30 1.30 -0.01 2.04 0.31 0.49 -3.84 118.33 114.33 1ug0 n VAL 30 Ca -0.03 -0.77 -0.00 0.00 -0.01 0.00 0.00 64.34 63.53 1ug0 n VAL 30 Cb 0.15 -0.68 -0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1ug0 n VAL 30 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ug0 h ILE 31 N 0.00 0.00 -1.22 2.52 2.04 0.41 -3.23 117.51 118.03 1ug0 h ILE 31 Ca -0.33 -0.41 0.44 0.00 1.00 0.00 0.00 64.86 65.57 1ug0 h ILE 31 Cb 1.91 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.84 1ug0 h ILE 31 CO 0.05 0.00 0.75 -0.33 0.00 0.00 0.00 178.15 178.61 1ug0 h GLU 32 N -0.43 0.04 -0.21 2.37 3.07 0.17 1.37 114.58 120.96 1ug0 h GLU 32 Ca -0.00 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1ug0 h GLU 32 Cb 0.02 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.89 1ug0 h GLU 32 CO 0.00 0.03 -0.02 0.87 -1.40 0.00 0.00 179.01 178.49 1ug0 h LYS 33 N 0.04 0.04 0.00 2.33 1.79 -1.66 1.47 116.57 120.57 1ug0 h LYS 33 Ca 0.85 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.32 1ug0 h LYS 33 Cb 2.52 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 33.16 1ug0 h LYS 33 CO -0.57 0.02 0.00 1.25 -1.08 0.00 0.00 179.45 179.08 1ug0 h LEU 34 N 0.04 0.00 0.00 2.94 5.85 0.18 0.27 115.31 124.59 1ug0 h LEU 34 Ca 0.10 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1ug0 h LEU 34 Cb 0.14 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1ug0 h LEU 34 CO -0.19 0.00 -0.68 0.00 -0.34 0.00 0.00 178.44 177.23 1ug0 h ALA 35 N 2.00 0.08 0.00 1.25 0.00 0.16 -2.21 119.26 120.54 1ug0 h ALA 35 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1ug0 h ALA 35 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ug0 h ALA 35 CO 0.00 0.53 0.15 -0.09 0.00 0.00 0.00 179.25 179.83 1ug0 h ARG 36 N -1.00 0.00 0.07 0.00 2.43 0.22 0.27 114.38 116.37 1ug0 h ARG 36 Ca -0.10 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.72 1ug0 h ARG 36 Cb 0.71 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1ug0 h ARG 36 CO -0.06 0.00 -2.01 0.34 -1.51 0.00 0.00 179.97 176.73 1ug0 n PHE 37 N -2.82 0.86 0.00 2.20 7.35 0.91 -3.77 117.46 122.20 1ug0 n PHE 37 Ca -0.02 0.22 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 1ug0 n PHE 37 Cb 0.20 -1.11 0.00 0.00 0.35 0.00 0.00 39.48 38.92 1ug0 n PHE 37 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1ug0 n VAL 38 N -3.67 0.00 -0.59 -2.13 0.31 -0.43 -2.87 118.33 108.95 1ug0 n VAL 38 Ca -0.37 0.63 0.46 0.00 -0.01 0.00 0.00 64.34 65.05 1ug0 n VAL 38 Cb 0.96 -1.38 0.73 0.00 -0.91 0.00 0.00 33.84 33.24 1ug0 n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ug0 n ALA 39 N -1.46 1.61 0.15 3.52 0.00 0.82 0.40 120.51 125.55 1ug0 n ALA 39 Ca 0.00 0.73 -0.07 0.00 0.00 0.00 0.00 53.44 54.10 1ug0 n ALA 39 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 1ug0 n ALA 39 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ug0 h GLU 40 N 0.00 -0.42 0.19 0.00 4.39 -1.61 -3.37 114.58 113.75 1ug0 h GLU 40 Ca 0.89 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.61 1ug0 h GLU 40 Cb 3.25 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 32.00 1ug0 h GLU 40 CO -0.21 -0.28 -0.09 0.78 -1.16 0.00 0.00 179.01 178.05 1ug0 h GLY 41 N -0.44 -0.26 0.00 -3.84 0.00 -0.22 -3.38 103.07 94.93 1ug0 h GLY 41 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ug0 h GLY 41 CO 0.03 -0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.09 1ug0 n GLY 42 N 1.11 -0.08 0.17 4.60 0.00 0.16 -4.92 105.19 106.23 1ug0 n GLY 42 Ca -0.03 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 0.45 -0.98 1.61 0.13 -1.95 -3.13 132.00 128.12 1ug0 h PRO 43 Ca 0.00 -0.44 0.27 0.00 -0.87 0.00 0.00 66.00 64.96 1ug0 h PRO 43 Cb 0.00 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.19 1ug0 h PRO 43 CO 0.00 1.09 0.69 1.49 -0.23 0.00 0.00 178.00 181.04 1ug0 h GLU 44 N 0.28 0.11 0.00 0.86 4.81 -1.94 1.71 114.58 120.40 1ug0 h GLU 44 Ca -0.07 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1ug0 h GLU 44 Cb 1.49 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 1ug0 h GLU 44 CO 0.15 0.07 -0.44 -0.07 -0.73 0.00 0.00 179.01 177.99 1ug0 h LEU 45 N 0.11 0.00 0.00 1.64 -0.00 -1.87 -1.13 115.31 114.06 1ug0 h LEU 45 Ca 0.49 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 58.25 1ug0 h LEU 45 Cb 1.74 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.38 1ug0 h LEU 45 CO -0.07 0.44 -0.55 -0.08 -0.00 0.00 0.00 178.44 178.18 1ug0 h GLU 46 N 0.00 0.00 0.00 1.13 4.81 0.24 0.14 114.58 120.90 1ug0 h GLU 46 Ca -0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1ug0 h GLU 46 Cb 0.97 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 1ug0 h GLU 46 CO 0.06 0.55 -1.16 0.87 -0.73 0.00 0.00 179.01 178.60 1ug0 h LYS 47 N 0.00 0.00 0.14 1.92 1.79 -0.77 -3.05 116.57 116.60 1ug0 h LYS 47 Ca -0.01 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 1ug0 h LYS 47 Cb 1.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 1ug0 h LYS 47 CO 0.07 0.83 -1.48 0.28 -1.08 0.00 0.00 179.45 178.08 1ug0 h VAL 48 N 0.00 1.23 -0.72 0.50 2.07 -1.20 -3.31 116.25 114.81 1ug0 h VAL 48 Ca -0.08 -2.83 0.03 0.00 0.82 0.00 0.00 66.70 64.64 1ug0 h VAL 48 Cb 1.81 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 34.36 1ug0 h VAL 48 CO 0.11 0.84 0.46 0.00 0.02 0.00 0.00 177.57 179.00 1ug0 h ALA 49 N 0.45 0.94 -0.00 1.67 0.00 -1.04 0.86 119.26 122.14 1ug0 h ALA 49 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ug0 h ALA 49 Cb 2.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 1ug0 h ALA 49 CO 0.18 0.25 0.03 0.52 0.00 0.00 0.00 179.25 180.24 1ug0 h MET 50 N 0.90 0.00 0.00 0.00 2.07 -1.62 -0.57 114.93 115.72 1ug0 h MET 50 Ca 0.29 0.00 -0.40 0.00 -2.07 0.00 0.00 59.70 57.51 1ug0 h MET 50 Cb 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 29.67 1ug0 h MET 50 CO -0.10 0.00 -2.22 0.39 1.07 0.00 0.00 176.91 176.04 1ug0 n GLU 51 N -3.14 0.58 -0.25 1.72 1.02 0.24 -3.09 120.64 117.73 1ug0 n GLU 51 Ca -0.03 0.33 0.05 0.00 -0.02 0.00 0.00 57.16 57.49 1ug0 n GLU 51 Cb 0.10 -1.54 0.17 0.00 -0.02 0.00 0.00 31.44 30.15 1ug0 n GLU 51 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1ug0 h ASP 52 N -1.00 -0.09 -0.75 1.62 1.82 0.90 0.38 116.42 119.31 1ug0 h ASP 52 Ca -0.61 0.16 -0.36 0.00 -0.39 0.00 0.00 57.03 55.84 1ug0 h ASP 52 Cb 1.53 0.24 -0.21 0.00 0.68 0.00 0.00 39.33 41.56 1ug0 h ASP 52 CO -0.37 -0.08 0.36 -1.22 -1.61 0.00 0.00 179.24 176.32 1ug0 n TYR 53 N -5.21 2.33 -0.29 0.28 4.01 -0.25 -4.65 117.16 113.39 1ug0 n TYR 53 Ca 0.14 -1.64 0.11 0.00 -0.16 0.00 0.00 57.90 56.34 1ug0 n TYR 53 Cb 0.46 -0.75 0.25 0.00 -0.31 0.00 0.00 39.34 38.99 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 1.30 0.21 -3.12 -0.72 1.63 -0.16 -2.90 116.57 112.81 1ug0 h LYS 54 Ca 0.44 -0.01 -0.62 0.00 -0.85 0.00 0.00 60.65 59.60 1ug0 h LYS 54 Cb 2.39 -0.05 -0.42 0.00 -0.60 0.00 0.00 32.23 33.56 1ug0 h LYS 54 CO 0.81 0.14 -0.59 -0.51 -3.45 0.00 0.00 179.45 175.85 1ug0 s ASP 55 N -5.14 4.65 -0.08 4.20 1.01 -1.26 -5.02 116.67 115.03 1ug0 s ASP 55 Ca -0.12 -3.68 -0.01 0.00 0.71 0.00 0.00 52.55 49.44 1ug0 s ASP 55 Cb 0.25 -1.60 0.03 0.00 1.01 0.00 0.00 42.92 42.60 1ug0 s ASP 55 CO 0.77 -0.11 -0.00 0.21 0.21 0.00 0.00 175.17 176.24 1ug0 s ASN 56 N -1.20 1.68 0.00 0.27 3.84 -1.10 -4.99 114.94 113.44 1ug0 s ASN 56 Ca 0.24 -0.13 0.23 0.00 0.21 0.00 0.00 52.86 53.41 1ug0 s ASN 56 Cb -0.08 -0.47 1.23 0.00 -0.55 0.00 0.00 41.25 41.37 1ug0 s ASN 56 CO -0.14 -0.19 1.76 -0.81 -2.79 0.00 0.00 177.10 174.93 1ug0 n PRO 57 N 5.13 0.44 -0.14 0.43 -0.04 -1.26 -2.64 135.00 136.92 1ug0 n PRO 57 Ca -0.07 0.05 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 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 -1.20 1.22 -0.00 0.55 0.00 -1.26 -4.40 120.51 115.41 1ug0 n ALA 58 Ca 0.13 -1.11 -0.09 0.00 0.00 0.00 0.00 53.44 52.37 1ug0 n ALA 58 Cb 0.15 0.13 0.05 0.00 0.00 0.00 0.00 19.45 19.78 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 -4.19 1.07 0.23 0.00 3.01 -1.20 -4.30 117.46 112.08 1ug0 n PHE 59 Ca -0.54 -1.13 0.06 0.00 1.01 0.00 0.00 57.45 56.85 1ug0 n PHE 59 Cb 0.89 -0.57 0.30 0.00 -0.01 0.00 0.00 39.48 40.09 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 0.10 1.33 0.16 4.37 -2.24 -1.08 -1.28 114.28 115.63 1ug0 n THR 60 Ca 0.21 0.45 0.02 0.00 -2.27 0.00 0.00 64.05 62.46 1ug0 n THR 60 Cb 0.83 -1.38 0.22 0.00 -2.10 0.00 0.00 70.33 67.90 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 0.00 0.00 4.78 -0.00 -1.89 -3.33 116.94 116.50 1ug0 h PHE 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1ug0 h PHE 61 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.07 1ug0 h PHE 61 CO 0.00 0.52 0.00 1.28 -0.00 0.00 0.00 178.31 180.11 1ug0 n LEU 62 N -3.60 0.00 -3.07 2.10 4.32 -0.40 -0.56 117.00 115.78 1ug0 n LEU 62 Ca -0.00 0.95 -0.26 0.00 -0.02 0.00 0.00 56.01 56.68 1ug0 n LEU 62 Cb 0.59 -0.46 -0.04 0.00 -1.62 0.00 0.00 43.42 41.90 1ug0 n LEU 62 CO 0.40 -0.46 2.55 1.41 -1.22 0.00 0.00 177.39 180.07 1ug0 n HIS 63 N -2.86 1.51 -3.15 -1.77 8.25 -1.25 -4.54 115.22 111.41 1ug0 n HIS 63 Ca 0.00 -2.20 0.05 0.00 -0.26 0.00 0.00 57.72 55.30 1ug0 n HIS 63 Cb 0.00 -1.88 -0.01 0.00 1.12 0.00 0.00 29.99 29.22 1ug0 n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ug0 s ASP 64 N 2.86 -1.09 -0.59 0.41 -1.08 0.28 -5.02 116.67 112.44 1ug0 s ASP 64 Ca 0.50 0.51 0.00 0.00 -0.52 0.00 0.00 52.55 53.05 1ug0 s ASP 64 Cb 0.14 1.84 0.51 0.00 -1.46 0.00 0.00 42.92 43.96 1ug0 s ASP 64 CO -0.04 -0.20 1.96 0.29 0.52 0.00 0.00 175.17 177.70 1ug0 n LYS 65 N 5.41 2.58 -2.47 4.34 5.02 -1.26 -4.24 118.16 127.54 1ug0 n LYS 65 Ca -0.01 -3.24 -0.03 0.00 -2.02 0.00 0.00 58.31 53.01 1ug0 n LYS 65 Cb 0.53 -2.25 0.02 0.00 -0.02 0.00 0.00 35.03 33.31 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 -0.98 -1.10 0.00 4.39 3.02 -1.26 -5.00 115.26 114.33 1ug0 n ASN 66 Ca 0.61 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1ug0 n ASN 66 Cb 0.96 0.81 0.00 0.00 -0.61 0.00 0.00 39.78 40.94 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ug0 n SER 67 N -0.53 0.00 0.00 6.41 2.88 -1.26 -5.08 113.62 116.03 1ug0 n SER 67 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1ug0 n SER 67 Cb 0.68 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 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 -0.75 0.00 0.07 -1.46 0.00 -1.26 -4.92 116.66 108.35 1ug0 n ARG 68 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1ug0 n ARG 68 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 32.46 32.63 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 0.00 0.01 2.89 5.08 -1.93 -3.09 114.58 117.54 1ug0 h GLU 69 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1ug0 h GLU 69 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1ug0 h GLU 69 CO 0.00 0.00 -1.95 0.34 -1.00 0.00 0.00 179.01 176.40 1ug0 n PHE 70 N -2.21 0.73 0.01 4.33 7.35 -1.26 -3.33 117.46 123.08 1ug0 n PHE 70 Ca 0.03 0.24 -0.12 0.00 -0.76 0.00 0.00 57.45 56.84 1ug0 n PHE 70 Cb 0.45 -1.13 -0.09 0.00 0.35 0.00 0.00 39.48 39.06 1ug0 n PHE 70 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1ug0 h LEU 71 N 0.01 -0.09 -1.61 -2.13 4.07 -1.87 -2.32 115.31 111.37 1ug0 h LEU 71 Ca -0.38 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.10 1ug0 h LEU 71 Cb 2.07 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 43.82 1ug0 h LEU 71 CO 0.06 0.48 0.24 0.22 -1.08 0.00 0.00 178.44 178.36 1ug0 h TYR 72 N -0.69 0.48 0.43 1.13 3.20 -1.73 -1.44 116.97 118.33 1ug0 h TYR 72 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1ug0 h TYR 72 Cb 0.56 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1ug0 h TYR 72 CO 0.11 0.31 -0.20 -0.92 -1.64 0.00 0.00 178.16 175.81 1ug0 h TYR 73 N 0.51 -0.53 -0.03 -3.82 3.20 -1.55 -2.35 116.97 112.40 1ug0 h TYR 73 Ca 0.14 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1ug0 h TYR 73 Cb -0.04 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1ug0 h TYR 73 CO 0.00 -0.23 0.04 0.00 -1.64 0.00 0.00 178.16 176.33 1ug0 h ARG 74 N -0.78 0.00 0.00 1.82 3.08 -1.14 -1.20 114.38 116.15 1ug0 h ARG 74 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ug0 h ARG 74 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1ug0 h ARG 74 CO 0.10 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.54 1ug0 n ARG 75 N -3.85 0.00 -0.44 0.04 3.00 -0.57 -3.17 116.66 111.67 1ug0 n ARG 75 Ca -0.02 0.06 0.36 0.00 -0.01 0.00 0.00 57.85 58.24 1ug0 n ARG 75 Cb 0.13 -0.89 0.67 0.00 0.00 0.00 0.00 32.46 32.36 1ug0 n ARG 75 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1ug0 h LYS 76 N 0.00 0.12 -0.91 5.56 1.79 -1.42 0.98 116.57 122.68 1ug0 h LYS 76 Ca 0.00 -0.01 0.25 0.00 -2.18 0.00 0.00 60.65 58.71 1ug0 h LYS 76 Cb 0.00 -0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 30.49 1ug0 h LYS 76 CO 0.00 0.08 0.37 0.28 -1.08 0.00 0.00 179.45 179.09 1ug0 h VAL 77 N 0.12 0.38 -0.50 0.50 2.07 -1.22 1.64 116.25 119.24 1ug0 h VAL 77 Ca 0.75 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 68.13 1ug0 h VAL 77 Cb 2.48 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1ug0 h VAL 77 CO -0.26 0.06 0.18 0.00 0.02 0.00 0.00 177.57 177.56 1ug0 h ALA 78 N 1.76 1.38 0.50 1.67 0.00 0.11 1.17 119.26 125.85 1ug0 h ALA 78 Ca 0.59 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1ug0 h ALA 78 Cb 1.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ug0 h ALA 78 CO -0.59 0.46 -0.24 1.49 0.00 0.00 0.00 179.25 180.37 1ug0 h GLU 79 N 0.71 -0.65 -0.96 0.00 4.57 0.22 -2.81 114.58 115.66 1ug0 h GLU 79 Ca 0.17 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1ug0 h GLU 79 Cb 0.18 0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 1ug0 h GLU 79 CO -0.01 -0.38 0.60 0.97 -1.18 0.00 0.00 179.01 179.01 1ug0 h ILE 80 N -1.11 1.26 -0.36 2.32 -0.00 -0.39 -2.90 117.51 116.32 1ug0 h ILE 80 Ca -0.07 -0.53 0.04 0.00 -0.00 0.00 0.00 64.86 64.30 1ug0 h ILE 80 Cb 0.57 -0.12 -0.07 0.00 -0.00 0.00 0.00 36.82 37.20 1ug0 h ILE 80 CO 0.11 0.26 -0.52 0.03 -0.00 0.00 0.00 178.15 178.04 1ug0 h ARG 81 N 1.32 -0.37 -6.71 2.19 2.47 0.14 -3.42 114.38 110.00 1ug0 h ARG 81 Ca 0.35 0.03 -0.54 0.00 -1.26 0.00 0.00 59.98 58.55 1ug0 h ARG 81 Cb -0.09 0.08 0.21 0.00 -1.65 0.00 0.00 29.97 28.53 1ug0 h ARG 81 CO -0.07 -0.25 -0.61 1.17 0.56 0.00 0.00 179.97 180.77 1ug0 n LYS 82 N -5.18 -0.15 -1.58 0.04 3.00 -1.06 -3.16 118.16 110.06 1ug0 n LYS 82 Ca -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1ug0 n LYS 82 Cb 0.32 -1.80 0.00 0.00 0.00 0.00 0.00 35.03 33.55 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 -0.82 -1.63 -3.16 3.14 2.88 -1.26 -4.61 113.62 108.17 1ug0 n SER 83 Ca 0.07 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1ug0 n SER 83 Cb 0.53 -0.41 -0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.86 -0.24 2.92 0.46 0.00 -1.26 -4.66 105.19 101.55 1ug0 n GLY 84 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 1.35 2.13 -2.68 1.61 -0.04 -1.19 -4.46 135.00 131.72 1ug0 n PRO 85 Ca -0.00 -2.19 -0.01 0.00 -0.04 0.00 0.00 63.50 61.26 1ug0 n PRO 85 Cb 0.44 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 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 6.80 -7.83 -2.74 3.54 2.88 -1.26 -4.66 113.62 110.36 1ug0 n SER 86 Ca 0.51 1.32 -0.04 0.00 -1.33 0.00 0.00 58.87 59.33 1ug0 n SER 86 Cb 0.40 -5.21 -0.03 0.00 -0.75 0.00 0.00 64.21 58.62 1ug0 n SER 86 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ug0 n SER 87 N 0.60 -3.23 0.00 -3.46 7.64 -1.26 -4.95 113.62 108.96 1ug0 n SER 87 Ca 0.01 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1ug0 n SER 87 Cb 0.04 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 1ug0 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64