#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 3.82 0.39 1.61 0.01 -1.26 -5.09 113.70 113.18 1ug0 s SER 2 Ca 0.00 -0.49 -0.21 0.00 1.31 0.00 0.00 55.95 56.56 1ug0 s SER 2 Cb 0.00 -0.57 -0.15 0.00 0.21 0.00 0.00 66.02 65.51 1ug0 s SER 2 CO 0.00 0.22 0.09 -0.24 0.41 0.00 0.00 173.24 173.72 1ug0 n SER 3 N 1.21 -2.81 0.00 2.44 2.88 -1.26 -4.52 113.62 111.56 1ug0 n SER 3 Ca -0.16 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1ug0 n SER 3 Cb 0.52 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1ug0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug0 n GLY 4 N 2.30 0.83 3.13 0.46 0.00 -1.26 -4.49 105.19 106.16 1ug0 n GLY 4 Ca 0.11 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.00 3.59 -0.55 1.61 0.01 -1.26 -5.06 113.70 108.04 1ug0 s SER 5 Ca 0.00 -0.82 0.04 0.00 1.31 0.00 0.00 55.95 56.48 1ug0 s SER 5 Cb 0.00 -1.53 0.14 0.00 0.21 0.00 0.00 66.02 64.84 1ug0 s SER 5 CO 0.00 -0.05 0.30 -0.94 0.41 0.00 0.00 173.24 172.96 1ug0 s SER 6 N 1.26 4.39 -0.37 2.44 1.04 -1.26 -5.07 113.70 116.14 1ug0 s SER 6 Ca 0.02 -3.16 -0.19 0.00 0.48 0.00 0.00 55.95 53.10 1ug0 s SER 6 Cb -0.15 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1ug0 s SER 6 CO -0.10 -0.20 0.55 -0.83 0.98 0.00 0.00 173.24 173.63 1ug0 s GLY 7 N -0.50 1.80 0.00 7.32 0.00 -1.26 -4.85 107.32 109.83 1ug0 s GLY 7 Ca 0.18 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1ug0 s GLY 7 CO -0.03 1.33 0.00 1.18 0.00 0.00 0.00 173.10 175.58 1ug0 n GLU 8 N 5.85 0.00 0.02 2.90 1.02 -1.26 -4.91 120.64 124.26 1ug0 n GLU 8 Ca -0.04 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.23 1ug0 n GLU 8 Cb 0.49 0.00 0.34 0.00 -0.02 0.00 0.00 31.44 32.25 1ug0 n GLU 8 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1ug0 n GLU 9 N -0.82 0.08 0.22 3.49 0.28 -1.26 -3.56 120.64 119.06 1ug0 n GLU 9 Ca 0.00 0.03 0.15 0.00 -0.16 0.00 0.00 57.16 57.18 1ug0 n GLU 9 Cb 0.00 -1.56 0.79 0.00 1.43 0.00 0.00 31.44 32.10 1ug0 n GLU 9 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1ug0 h ASP 10 N 0.00 0.00 -0.65 -1.84 3.32 -1.91 -2.14 116.42 113.20 1ug0 h ASP 10 Ca 0.00 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.24 1ug0 h ASP 10 Cb 0.57 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1ug0 h ASP 10 CO 0.00 0.00 0.74 0.10 -1.72 0.00 0.00 179.24 178.36 1ug0 h TYR 11 N 0.00 0.00 0.00 4.55 -0.00 -1.91 1.44 116.97 121.05 1ug0 h TYR 11 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.63 1ug0 h TYR 11 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.72 1ug0 h TYR 11 CO 0.00 0.00 -1.77 -0.85 -0.00 0.00 0.00 178.16 175.54 1ug0 n GLU 12 N -3.53 0.65 0.32 0.10 0.28 -0.81 -3.88 120.64 113.77 1ug0 n GLU 12 Ca 0.13 -0.03 0.20 0.00 -0.16 0.00 0.00 57.16 57.31 1ug0 n GLU 12 Cb 0.96 -1.63 1.09 0.00 1.43 0.00 0.00 31.44 33.29 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 -0.09 3.44 -0.00 0.19 0.28 115.11 118.93 1ug0 h GLN 13 Ca -0.13 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.32 1ug0 h GLN 13 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.81 1ug0 h GLN 13 CO 0.01 0.00 -0.80 -1.49 -0.00 0.00 0.00 178.83 176.56 1ug0 h TRP 14 N 0.00 0.77 -0.14 0.06 4.06 -1.66 -2.73 115.95 116.31 1ug0 h TRP 14 Ca 0.00 -0.36 0.04 0.00 2.06 0.00 0.00 58.89 60.63 1ug0 h TRP 14 Cb 0.14 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.19 1ug0 h TRP 14 CO 0.00 1.15 0.27 -0.07 -3.56 0.00 0.00 178.44 176.24 1ug0 h LEU 15 N 0.37 0.00 -0.59 -4.49 3.38 -0.66 0.15 115.31 113.46 1ug0 h LEU 15 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1ug0 h LEU 15 Cb 1.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 1ug0 h LEU 15 CO 0.15 0.00 0.25 -0.33 0.09 0.00 0.00 178.44 178.60 1ug0 h GLU 16 N 0.00 0.88 -3.95 1.13 5.08 -1.50 -3.35 114.58 112.88 1ug0 h GLU 16 Ca 0.06 -0.15 -0.76 0.00 -1.00 0.00 0.00 59.36 57.51 1ug0 h GLU 16 Cb 0.61 -0.15 -0.27 0.00 0.50 0.00 0.00 28.75 29.45 1ug0 h GLU 16 CO -0.00 0.75 -0.12 0.42 -1.00 0.00 0.00 179.01 179.06 1ug0 s ILE 17 N -5.58 5.09 0.72 3.13 1.09 0.53 -5.06 121.20 121.12 1ug0 s ILE 17 Ca -0.13 -2.13 -0.11 0.00 -1.10 0.00 0.00 60.65 57.18 1ug0 s ILE 17 Cb 0.13 -4.22 0.02 0.00 -1.06 0.00 0.00 42.46 37.33 1ug0 s ILE 17 CO 0.79 -0.93 1.07 -0.75 -0.10 0.00 0.00 174.94 175.02 1ug0 s LYS 18 N 0.75 2.75 0.43 2.79 2.47 -1.26 -4.95 119.74 122.71 1ug0 s LYS 18 Ca 0.12 0.99 -0.08 0.00 -1.56 0.00 0.00 55.97 55.44 1ug0 s LYS 18 Cb -0.20 -1.97 -0.05 0.00 -1.46 0.00 0.00 37.83 34.16 1ug0 s LYS 18 CO -0.04 -1.24 0.76 0.14 0.16 0.00 0.00 175.35 175.13 1ug0 s VAL 19 N -3.02 4.86 0.16 4.02 -7.23 -1.26 -5.08 120.40 112.85 1ug0 s VAL 19 Ca 0.59 0.38 0.07 0.00 -1.81 0.00 0.00 61.98 61.21 1ug0 s VAL 19 Cb -0.15 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 32.96 1ug0 s VAL 19 CO 0.55 -0.64 -0.02 -0.94 -0.31 0.00 0.00 175.10 173.74 1ug0 s SER 20 N -3.57 4.72 1.00 4.85 1.04 -1.26 -4.13 113.70 116.35 1ug0 s SER 20 Ca 0.49 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 56.38 1ug0 s SER 20 Cb -0.10 -0.99 0.20 0.00 0.10 0.00 0.00 66.02 65.22 1ug0 s SER 20 CO 0.37 0.11 1.18 -2.16 0.98 0.00 0.00 173.24 173.72 1ug0 s PRO 21 N -2.77 0.36 0.00 4.02 0.04 -1.26 -4.80 135.00 130.58 1ug0 s PRO 21 Ca 0.26 -0.00 0.13 0.00 0.04 0.00 0.00 61.00 61.44 1ug0 s PRO 21 Cb -0.10 -1.77 0.81 0.00 0.04 0.00 0.00 34.50 33.47 1ug0 s PRO 21 CO 0.18 -2.67 1.34 -0.35 0.04 0.00 0.00 177.00 175.53 1ug0 n PRO 22 N -4.04 0.75 -0.11 0.56 -0.04 -1.26 -3.22 135.00 127.64 1ug0 n PRO 22 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1ug0 n PRO 22 Cb 0.59 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 1ug0 n PRO 22 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ug0 h GLU 23 N 0.00 0.69 0.00 0.54 5.08 -1.95 -2.58 114.58 116.36 1ug0 h GLU 23 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1ug0 h GLU 23 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1ug0 h GLU 23 CO 0.00 0.92 0.16 0.78 -1.00 0.00 0.00 179.01 179.86 1ug0 h GLY 24 N 0.45 0.00 -0.41 -3.84 0.00 -1.90 -2.22 103.07 95.16 1ug0 h GLY 24 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.55 1ug0 h GLY 24 CO 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.48 1ug0 h ALA 25 N 1.66 0.58 -0.43 3.60 0.00 -1.69 0.39 119.26 123.37 1ug0 h ALA 25 Ca 0.00 0.27 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1ug0 h ALA 25 Cb 0.31 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ug0 h ALA 25 CO 0.00 -0.42 -0.17 0.93 0.00 0.00 0.00 179.25 179.59 1ug0 h GLU 26 N 0.03 0.88 0.00 0.00 5.08 -1.61 -2.26 114.58 116.71 1ug0 h GLU 26 Ca 0.37 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ug0 h GLU 26 Cb 0.60 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ug0 h GLU 26 CO -0.71 1.02 0.00 2.41 -1.00 0.00 0.00 179.01 180.72 1ug0 n THR 27 N -4.22 1.02 -0.36 1.13 -1.04 0.10 -2.21 114.28 108.71 1ug0 n THR 27 Ca -0.01 0.71 0.27 0.00 -2.04 0.00 0.00 64.05 62.98 1ug0 n THR 27 Cb 0.42 -1.71 0.54 0.00 -1.82 0.00 0.00 70.33 67.76 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 0.30 -0.34 -2.82 -0.00 0.01 1.53 114.38 113.06 1ug0 h ARG 28 Ca 0.00 -0.02 0.10 0.00 -0.00 0.00 0.00 59.98 60.06 1ug0 h ARG 28 Cb 0.02 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.97 29.91 1ug0 h ARG 28 CO 0.00 0.20 0.30 0.00 -0.00 0.00 0.00 179.97 180.47 1ug0 h ARG 29 N 0.31 0.00 0.00 0.08 3.08 -1.66 1.46 114.38 117.65 1ug0 h ARG 29 Ca 0.67 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.46 1ug0 h ARG 29 Cb 1.80 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.80 1ug0 h ARG 29 CO -0.36 0.00 -1.95 0.28 -1.07 0.00 0.00 179.97 176.88 1ug0 n VAL 30 N -4.05 1.24 0.05 2.04 0.31 0.51 -4.10 118.33 114.32 1ug0 n VAL 30 Ca 0.05 -0.76 -0.08 0.00 -0.01 0.00 0.00 64.34 63.54 1ug0 n VAL 30 Cb 0.47 -0.61 -0.06 0.00 -0.91 0.00 0.00 33.84 32.73 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 0.55 -1.10 2.52 2.04 0.99 -3.17 117.51 119.33 1ug0 h ILE 31 Ca -0.33 -1.08 0.42 0.00 1.00 0.00 0.00 64.86 64.86 1ug0 h ILE 31 Cb 1.89 0.95 -0.16 0.00 -0.74 0.00 0.00 36.82 38.76 1ug0 h ILE 31 CO 0.04 0.16 0.64 -0.33 0.00 0.00 0.00 178.15 178.66 1ug0 h GLU 32 N -0.97 0.06 -0.24 2.37 5.08 0.17 1.65 114.58 122.69 1ug0 h GLU 32 Ca -0.02 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ug0 h GLU 32 Cb 0.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1ug0 h GLU 32 CO 0.04 0.04 0.15 0.87 -1.00 0.00 0.00 179.01 179.11 1ug0 h LYS 33 N 0.06 0.33 0.08 2.33 1.79 -1.71 1.48 116.57 120.94 1ug0 h LYS 33 Ca 0.83 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 59.27 1ug0 h LYS 33 Cb 2.29 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.87 1ug0 h LYS 33 CO -0.65 0.25 -0.04 1.25 -1.08 0.00 0.00 179.45 179.18 1ug0 h LEU 34 N 0.31 -0.10 -0.99 2.94 6.46 0.23 0.51 115.31 124.67 1ug0 h LEU 34 Ca 0.09 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1ug0 h LEU 34 Cb 0.00 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 1ug0 h LEU 34 CO -0.02 0.09 0.66 0.00 -0.62 0.00 0.00 178.44 178.55 1ug0 h ALA 35 N 0.62 1.26 0.15 1.25 0.00 -0.45 0.10 119.26 122.19 1ug0 h ALA 35 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ug0 h ALA 35 Cb 0.24 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ug0 h ALA 35 CO 0.02 0.64 -0.07 -0.09 0.00 0.00 0.00 179.25 179.75 1ug0 h ARG 36 N 1.34 -0.19 -0.91 0.00 2.43 0.24 0.10 114.38 117.39 1ug0 h ARG 36 Ca 0.36 0.01 0.26 0.00 -0.81 0.00 0.00 59.98 59.80 1ug0 h ARG 36 Cb -0.15 0.04 -0.15 0.00 -0.42 0.00 0.00 29.97 29.30 1ug0 h ARG 36 CO -0.08 -0.13 0.29 0.35 -1.51 0.00 0.00 179.97 178.89 1ug0 h PHE 37 N -0.25 0.44 0.00 2.20 3.57 0.04 1.35 116.94 124.29 1ug0 h PHE 37 Ca -0.02 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ug0 h PHE 37 Cb 0.15 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1ug0 h PHE 37 CO 0.14 -0.23 0.00 0.28 -2.23 0.00 0.00 178.31 176.27 1ug0 n VAL 38 N -5.22 0.00 -0.19 1.41 0.31 0.35 -0.86 118.33 114.13 1ug0 n VAL 38 Ca 0.24 1.09 0.30 0.00 -0.01 0.00 0.00 64.34 65.95 1ug0 n VAL 38 Cb 0.76 -2.03 0.63 0.00 -0.91 0.00 0.00 33.84 32.29 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 2.83 0.58 3.52 0.00 -0.56 1.03 119.26 124.67 1ug0 h ALA 39 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ug0 h ALA 39 Cb 0.00 0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ug0 h ALA 39 CO 0.00 -1.44 -0.28 1.49 0.00 0.00 0.00 179.25 179.01 1ug0 h GLU 40 N 0.00 -0.76 0.00 0.00 4.81 0.21 -3.39 114.58 115.45 1ug0 h GLU 40 Ca 0.46 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1ug0 h GLU 40 Cb 2.34 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.90 1ug0 h GLU 40 CO -0.00 -0.50 -0.18 0.78 -0.73 0.00 0.00 179.01 178.37 1ug0 h GLY 41 N -0.95 0.00 0.00 1.92 0.00 0.13 -3.51 103.07 100.66 1ug0 h GLY 41 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ug0 h GLY 41 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.28 1ug0 n GLY 42 N 1.73 -0.13 0.11 4.60 0.00 0.33 -4.95 105.19 106.88 1ug0 n GLY 42 Ca -0.03 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 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 0.23 -1.63 1.61 0.13 -1.97 -3.19 132.00 127.18 1ug0 h PRO 43 Ca 0.00 -0.22 0.48 0.00 -0.87 0.00 0.00 66.00 65.39 1ug0 h PRO 43 Cb 0.00 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 31.10 1ug0 h PRO 43 CO 0.00 0.92 1.15 1.49 -0.23 0.00 0.00 178.00 181.32 1ug0 h GLU 44 N -0.38 0.03 -0.16 0.86 4.81 -1.95 1.61 114.58 119.40 1ug0 h GLU 44 Ca -0.03 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1ug0 h GLU 44 Cb 1.01 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1ug0 h GLU 44 CO 0.06 0.02 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.22 1ug0 h LEU 45 N 0.03 0.33 -1.81 1.64 -0.00 -1.88 -0.36 115.31 113.25 1ug0 h LEU 45 Ca 0.82 -0.40 -0.00 0.00 -0.00 0.00 0.00 57.88 58.30 1ug0 h LEU 45 Cb 3.11 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 43.67 1ug0 h LEU 45 CO -0.11 0.65 0.09 -0.08 -0.00 0.00 0.00 178.44 178.99 1ug0 h GLU 46 N 0.00 0.21 -0.06 1.13 4.22 0.22 1.47 114.58 121.78 1ug0 h GLU 46 Ca 0.04 -0.02 -0.21 0.00 0.08 0.00 0.00 59.36 59.25 1ug0 h GLU 46 Cb 0.52 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ug0 h GLU 46 CO 0.02 0.16 -0.84 0.87 -2.18 0.00 0.00 179.01 177.04 1ug0 h LYS 47 N 0.22 0.50 0.08 1.92 1.79 -0.92 -2.85 116.57 117.30 1ug0 h LYS 47 Ca 0.06 -0.46 -0.27 0.00 -2.18 0.00 0.00 60.65 57.79 1ug0 h LYS 47 Cb 0.00 0.11 0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1ug0 h LYS 47 CO -0.01 1.10 -1.15 0.28 -1.08 0.00 0.00 179.45 178.59 1ug0 h VAL 48 N 0.32 1.35 -0.76 0.50 2.07 0.33 -3.22 116.25 116.84 1ug0 h VAL 48 Ca -0.06 -2.53 0.12 0.00 0.82 0.00 0.00 66.70 65.05 1ug0 h VAL 48 Cb 1.46 2.63 -0.08 0.00 -1.52 0.00 0.00 31.29 33.77 1ug0 h VAL 48 CO 0.15 0.76 0.36 0.00 0.02 0.00 0.00 177.57 178.86 1ug0 h ALA 49 N 0.47 1.07 0.00 1.67 0.00 0.20 1.00 119.26 123.66 1ug0 h ALA 49 Ca -0.15 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ug0 h ALA 49 Cb 1.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1ug0 h ALA 49 CO 0.21 -0.09 0.00 -1.33 0.00 0.00 0.00 179.25 178.04 1ug0 n MET 50 N -4.90 0.10 -0.11 0.00 2.00 -1.08 -1.61 117.12 111.53 1ug0 n MET 50 Ca 0.13 0.38 -0.19 0.00 0.00 0.00 0.00 57.70 58.03 1ug0 n MET 50 Cb 0.34 -1.70 -0.12 0.00 0.00 0.00 0.00 33.22 31.74 1ug0 n MET 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1ug0 n GLU 51 N -1.89 0.67 -0.24 0.03 4.07 0.27 -2.87 120.64 120.67 1ug0 n GLU 51 Ca 0.02 0.17 -0.06 0.00 -0.06 0.00 0.00 57.16 57.23 1ug0 n GLU 51 Cb 0.17 -1.55 0.04 0.00 -0.06 0.00 0.00 31.44 30.04 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 -0.01 0.90 -0.59 4.31 5.19 0.88 -2.64 116.42 124.46 1ug0 h ASP 52 Ca -0.55 -0.14 -0.33 0.00 -0.62 0.00 0.00 57.03 55.39 1ug0 h ASP 52 Cb 1.92 -0.23 -0.19 0.00 0.18 0.00 0.00 39.33 41.00 1ug0 h ASP 52 CO -0.06 0.79 0.14 -1.22 -3.12 0.00 0.00 179.24 175.76 1ug0 n TYR 53 N -4.44 1.85 -0.07 4.55 4.01 -0.63 -4.70 117.16 117.73 1ug0 n TYR 53 Ca 0.05 -1.80 -0.07 0.00 -0.16 0.00 0.00 57.90 55.92 1ug0 n TYR 53 Cb 0.14 -0.67 -0.01 0.00 -0.31 0.00 0.00 39.34 38.49 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 1.12 -0.16 -2.58 -0.72 3.64 -1.32 -2.60 116.57 113.95 1ug0 h LYS 54 Ca 0.37 0.01 -0.78 0.00 -1.27 0.00 0.00 60.65 58.98 1ug0 h LYS 54 Cb 1.94 0.04 -0.30 0.00 -0.41 0.00 0.00 32.23 33.49 1ug0 h LYS 54 CO 0.68 -0.11 0.66 -0.25 -2.27 0.00 0.00 179.45 178.16 1ug0 n ASP 55 N -5.35 6.40 -3.78 4.20 8.00 -1.26 -4.94 116.55 119.81 1ug0 n ASP 55 Ca -0.00 -3.53 -0.23 0.00 0.71 0.00 0.00 54.79 51.74 1ug0 n ASP 55 Cb 0.26 -1.13 -0.18 0.00 -0.02 0.00 0.00 41.12 40.05 1ug0 n ASP 55 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ug0 s ASN 56 N -1.82 1.62 0.07 -2.24 3.84 -0.98 -5.00 114.94 110.43 1ug0 s ASN 56 Ca 0.36 -0.10 0.23 0.00 0.21 0.00 0.00 52.86 53.56 1ug0 s ASN 56 Cb 0.12 -0.47 0.92 0.00 -0.55 0.00 0.00 41.25 41.28 1ug0 s ASN 56 CO 0.00 -0.19 1.71 -0.81 -2.79 0.00 0.00 177.10 175.02 1ug0 n PRO 57 N 5.13 0.06 -0.04 0.43 -0.04 -1.26 -0.67 135.00 138.61 1ug0 n PRO 57 Ca -0.08 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1ug0 n PRO 57 Cb 0.50 -1.60 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.58 0.94 -0.88 0.55 0.00 -1.26 -4.15 120.51 114.12 1ug0 n ALA 58 Ca 0.05 -0.65 0.04 0.00 0.00 0.00 0.00 53.44 52.88 1ug0 n ALA 58 Cb 0.28 -0.55 0.38 0.00 0.00 0.00 0.00 19.45 19.55 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 -3.69 2.14 0.33 0.00 3.72 -1.17 -4.36 117.46 114.43 1ug0 n PHE 59 Ca -0.35 -0.81 0.09 0.00 -0.05 0.00 0.00 57.45 56.33 1ug0 n PHE 59 Cb 0.96 -0.55 0.38 0.00 -0.94 0.00 0.00 39.48 39.34 1ug0 n PHE 59 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1ug0 n THR 60 N 0.45 1.08 0.01 4.37 5.66 0.15 -2.14 114.28 123.87 1ug0 n THR 60 Ca 0.30 0.36 -0.00 0.00 -3.05 0.00 0.00 64.05 61.66 1ug0 n THR 60 Cb 1.23 -1.26 0.30 0.00 -1.55 0.00 0.00 70.33 69.04 1ug0 n THR 60 CO 0.00 0.00 0.00 2.19 -3.05 0.00 0.00 175.07 174.21 1ug0 h PHE 61 N 0.00 0.52 -0.70 1.09 -5.15 -1.85 -2.95 116.94 107.90 1ug0 h PHE 61 Ca 0.00 -0.06 0.12 0.00 -0.20 0.00 0.00 57.97 57.83 1ug0 h PHE 61 Cb 0.22 -0.15 -0.13 0.00 0.22 0.00 0.00 35.95 36.11 1ug0 h PHE 61 CO 0.00 0.53 -0.36 -0.07 -2.00 0.00 0.00 178.31 176.41 1ug0 h LEU 62 N 0.48 -1.26 -5.15 2.10 3.38 -1.80 -0.78 115.31 112.28 1ug0 h LEU 62 Ca 0.10 0.25 -0.40 0.00 0.09 0.00 0.00 57.88 57.92 1ug0 h LEU 62 Cb 0.35 0.63 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1ug0 h LEU 62 CO 0.01 -0.30 2.44 1.41 0.09 0.00 0.00 178.44 182.09 1ug0 n HIS 63 N -5.44 1.37 0.00 1.13 -0.00 -1.11 -4.46 115.22 106.70 1ug0 n HIS 63 Ca 0.06 -2.06 0.00 0.00 -0.00 0.00 0.00 57.72 55.72 1ug0 n HIS 63 Cb 0.37 -1.78 0.00 0.00 -0.00 0.00 0.00 29.99 28.58 1ug0 n HIS 63 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1ug0 n ASP 64 N 3.80 0.00 0.00 0.41 -0.08 -0.30 -5.09 116.55 115.29 1ug0 n ASP 64 Ca 0.50 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 1ug0 n ASP 64 Cb 0.24 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.70 1ug0 n ASP 64 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ug0 n LYS 65 N 0.00 0.00 -1.93 -0.67 4.76 -1.26 -3.97 118.16 115.08 1ug0 n LYS 65 Ca 0.00 0.44 -0.42 0.00 -2.87 0.00 0.00 58.31 55.46 1ug0 n LYS 65 Cb 0.00 -1.24 -0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1ug0 n LYS 65 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ug0 n ASN 66 N -1.81 4.09 0.00 4.39 3.02 -1.26 -4.25 115.26 119.44 1ug0 n ASN 66 Ca 0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.70 1ug0 n ASN 66 Cb 0.00 -1.67 0.00 0.00 -0.61 0.00 0.00 39.78 37.50 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 6.81 0.00 0.00 6.41 2.88 -1.26 -5.08 113.62 123.38 1ug0 n SER 67 Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1ug0 n SER 67 Cb 0.41 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -1.95 0.00 -0.06 -1.46 1.85 -1.26 -4.96 116.66 108.83 1ug0 n ARG 68 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 1ug0 n ARG 68 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 1ug0 n ARG 68 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1ug0 n GLU 69 N 0.00 0.67 -0.15 2.89 1.02 -1.26 -3.98 120.64 119.83 1ug0 n GLU 69 Ca 0.00 0.17 -0.01 0.00 -0.02 0.00 0.00 57.16 57.30 1ug0 n GLU 69 Cb 0.00 -1.66 0.23 0.00 -0.02 0.00 0.00 31.44 29.99 1ug0 n GLU 69 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ug0 h PHE 70 N 0.01 0.86 0.68 -0.32 3.57 -1.82 0.09 116.94 120.00 1ug0 h PHE 70 Ca -0.43 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.01 1ug0 h PHE 70 Cb 2.09 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 40.56 1ug0 h PHE 70 CO 0.01 0.63 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.33 1ug0 h LEU 71 N 0.86 -0.78 -2.01 0.59 -0.00 -1.74 -0.41 115.31 111.82 1ug0 h LEU 71 Ca 0.21 0.03 0.16 0.00 -0.00 0.00 0.00 57.88 58.28 1ug0 h LEU 71 Cb 0.10 0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 1ug0 h LEU 71 CO -0.03 -0.48 0.42 0.22 -0.00 0.00 0.00 178.44 178.57 1ug0 h TYR 72 N -1.06 0.00 0.00 1.13 3.20 -1.66 0.88 116.97 119.46 1ug0 h TYR 72 Ca -0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1ug0 h TYR 72 Cb 0.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1ug0 h TYR 72 CO 0.04 0.00 0.00 -0.92 -1.64 0.00 0.00 178.16 175.64 1ug0 h TYR 73 N 0.00 0.00 0.07 -3.82 3.20 -0.70 -2.43 116.97 113.29 1ug0 h TYR 73 Ca 0.26 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.77 1ug0 h TYR 73 Cb 1.10 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 1ug0 h TYR 73 CO 0.00 0.00 -2.12 0.54 -1.64 0.00 0.00 178.16 174.94 1ug0 n ARG 74 N -2.49 0.72 -0.13 1.82 5.12 0.28 -2.75 116.66 119.22 1ug0 n ARG 74 Ca 0.05 0.22 -0.11 0.00 -1.93 0.00 0.00 57.85 56.08 1ug0 n ARG 74 Cb 0.43 -1.66 -0.02 0.00 -1.16 0.00 0.00 32.46 30.06 1ug0 n ARG 74 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ug0 h ARG 75 N 0.04 0.78 -0.03 5.56 3.08 -0.83 -2.93 114.38 120.05 1ug0 h ARG 75 Ca -0.46 -0.31 -0.17 0.00 0.07 0.00 0.00 59.98 59.11 1ug0 h ARG 75 Cb 2.01 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.01 1ug0 h ARG 75 CO 0.04 0.93 -0.74 0.87 -1.07 0.00 0.00 179.97 179.99 1ug0 h LYS 76 N 0.59 0.20 -0.38 0.04 1.79 -1.62 -2.90 116.57 114.28 1ug0 h LYS 76 Ca 0.10 -0.17 0.11 0.00 -2.18 0.00 0.00 60.65 58.50 1ug0 h LYS 76 Cb 0.66 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 1ug0 h LYS 76 CO 0.05 0.85 0.61 0.28 -1.08 0.00 0.00 179.45 180.16 1ug0 h VAL 77 N 0.13 0.17 0.07 0.50 2.07 -1.32 1.67 116.25 119.53 1ug0 h VAL 77 Ca -0.02 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.20 1ug0 h VAL 77 Cb 1.31 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1ug0 h VAL 77 CO 0.11 0.00 -1.60 0.00 0.02 0.00 0.00 177.57 176.10 1ug0 h ALA 78 N 1.13 0.45 -0.54 1.67 0.00 -1.53 -1.81 119.26 118.63 1ug0 h ALA 78 Ca 0.18 -1.24 -0.12 0.00 0.00 0.00 0.00 54.91 53.73 1ug0 h ALA 78 Cb 1.41 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1ug0 h ALA 78 CO -0.00 1.31 -0.12 1.49 0.00 0.00 0.00 179.25 181.93 1ug0 h GLU 79 N 0.04 1.03 0.16 0.00 4.57 0.23 -2.94 114.58 117.66 1ug0 h GLU 79 Ca -0.26 -0.39 -0.31 0.00 -1.18 0.00 0.00 59.36 57.22 1ug0 h GLU 79 Cb 1.99 -0.06 0.03 0.00 -0.16 0.00 0.00 28.75 30.55 1ug0 h GLU 79 CO 0.12 1.08 -1.31 0.97 -1.18 0.00 0.00 179.01 178.69 1ug0 h ILE 80 N 0.91 1.28 -0.71 2.32 -0.00 -0.83 -3.33 117.51 117.15 1ug0 h ILE 80 Ca 0.14 -2.52 0.07 0.00 -0.00 0.00 0.00 64.86 62.55 1ug0 h ILE 80 Cb 0.69 2.79 -0.10 0.00 -0.00 0.00 0.00 36.82 40.21 1ug0 h ILE 80 CO 0.05 0.76 -0.56 0.03 -0.00 0.00 0.00 178.15 178.43 1ug0 h ARG 81 N 0.24 -0.17 -5.96 2.19 2.47 -1.24 -3.41 114.38 108.50 1ug0 h ARG 81 Ca -0.21 0.01 -0.62 0.00 -1.26 0.00 0.00 59.98 57.91 1ug0 h ARG 81 Cb 1.99 0.04 0.16 0.00 -1.65 0.00 0.00 29.97 30.50 1ug0 h ARG 81 CO 0.25 -0.11 -0.95 1.17 0.56 0.00 0.00 179.97 180.88 1ug0 n LYS 82 N -5.24 0.00 0.00 0.04 0.00 -1.12 -4.94 118.16 106.90 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 0.29 -0.99 0.00 0.00 0.00 0.00 0.00 35.03 34.33 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 2.33 0.00 -3.93 3.14 2.88 -1.26 -5.03 113.62 111.74 1ug0 n SER 83 Ca 0.11 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.31 1ug0 n SER 83 Cb 0.40 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.00 -0.43 2.33 0.46 0.00 -1.26 -4.68 105.19 101.61 1ug0 n GLY 84 Ca 0.00 0.90 -0.20 0.00 0.00 0.00 0.00 46.02 46.72 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 7.14 2.22 -3.44 1.61 -0.04 -1.26 -4.68 135.00 136.55 1ug0 n PRO 85 Ca 0.58 -1.33 -0.32 0.00 -0.04 0.00 0.00 63.50 62.38 1ug0 n PRO 85 Cb 0.04 -2.29 0.03 0.00 -0.04 0.00 0.00 33.50 31.24 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 3.37 -5.73 0.04 3.54 2.88 -1.26 -4.93 113.62 111.53 1ug0 n SER 86 Ca 0.47 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1ug0 n SER 86 Cb 0.39 -1.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 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 0.05 0.04 0.00 -3.46 7.64 -1.26 -5.31 113.62 111.32 1ug0 n SER 87 Ca -0.07 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1ug0 n SER 87 Cb 0.65 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 1ug0 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64