#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 -0.69 -0.44 1.61 1.04 -1.26 -5.11 113.70 108.85 1ug0 s SER 2 Ca 0.00 1.12 0.01 0.00 0.48 0.00 0.00 55.95 57.56 1ug0 s SER 2 Cb 0.00 1.27 0.20 0.00 0.10 0.00 0.00 66.02 67.59 1ug0 s SER 2 CO 0.00 -0.18 0.90 -1.54 0.98 0.00 0.00 173.24 173.40 1ug0 n SER 3 N 3.80 -2.58 -1.27 7.02 3.41 -1.26 -5.14 113.62 117.60 1ug0 n SER 3 Ca -0.19 -2.07 0.11 0.00 -0.26 0.00 0.00 58.87 56.47 1ug0 n SER 3 Cb 0.58 1.31 -0.06 0.00 -0.26 0.00 0.00 64.21 65.78 1ug0 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ug0 n GLY 4 N 2.76 -3.46 3.57 5.00 0.00 -1.26 -5.07 105.19 106.74 1ug0 n GLY 4 Ca 0.15 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 1ug0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ug0 s SER 5 N -6.35 -0.35 -0.24 1.61 1.04 -1.26 -5.14 113.70 103.00 1ug0 s SER 5 Ca 0.00 0.36 -0.13 0.00 0.48 0.00 0.00 55.95 56.66 1ug0 s SER 5 Cb 0.00 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1ug0 s SER 5 CO 0.00 -0.35 0.29 -0.94 0.98 0.00 0.00 173.24 173.22 1ug0 s SER 6 N -1.21 6.22 0.56 7.02 1.04 -1.26 -4.92 113.70 121.15 1ug0 s SER 6 Ca -0.01 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1ug0 s SER 6 Cb -0.01 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1ug0 s SER 6 CO 0.01 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1ug0 n GLY 7 N 4.42 -3.99 2.75 7.32 0.00 -1.26 -4.67 105.19 109.76 1ug0 n GLY 7 Ca -0.11 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.63 4.73 -0.06 1.61 -0.58 -1.26 -4.80 120.64 117.65 1ug0 n GLU 8 Ca -0.00 -4.68 0.24 0.00 -0.42 0.00 0.00 57.16 52.30 1ug0 n GLU 8 Cb 0.47 -2.43 0.57 0.00 -0.57 0.00 0.00 31.44 29.48 1ug0 n GLU 8 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1ug0 h GLU 9 N 4.29 0.00 -1.53 3.49 4.11 -2.02 0.26 114.58 123.18 1ug0 h GLU 9 Ca 0.38 0.00 0.46 0.00 0.07 0.00 0.00 59.36 60.27 1ug0 h GLU 9 Cb 0.43 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 1ug0 h GLU 9 CO 1.14 0.00 1.06 -0.44 0.07 0.00 0.00 179.01 180.84 1ug0 h ASP 10 N 0.00 0.11 -0.16 3.06 5.19 -1.98 1.44 116.42 124.08 1ug0 h ASP 10 Ca 0.34 0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.85 1ug0 h ASP 10 Cb 2.06 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.61 1ug0 h ASP 10 CO -0.00 -0.06 0.55 0.10 -3.12 0.00 0.00 179.24 176.71 1ug0 h TYR 11 N 0.05 0.00 0.00 4.55 -0.00 -0.80 1.33 116.97 122.10 1ug0 h TYR 11 Ca 0.80 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.50 1ug0 h TYR 11 Cb 2.92 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 39.64 1ug0 h TYR 11 CO -0.00 0.00 -2.00 -1.91 -0.00 0.00 0.00 178.16 174.25 1ug0 n GLU 12 N -3.01 0.65 0.04 0.10 2.13 0.49 -3.99 120.64 117.06 1ug0 n GLU 12 Ca 0.02 -0.18 0.05 0.00 0.66 0.00 0.00 57.16 57.72 1ug0 n GLU 12 Cb 0.63 -1.50 0.25 0.00 0.27 0.00 0.00 31.44 31.09 1ug0 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ug0 n GLN 13 N -2.28 0.05 -0.00 5.31 -0.00 0.45 -0.63 117.38 120.29 1ug0 n GLN 13 Ca -0.06 0.44 -0.11 0.00 -0.00 0.00 0.00 57.00 57.27 1ug0 n GLN 13 Cb 0.60 -1.63 -0.14 0.00 -0.00 0.00 0.00 30.24 29.08 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 0.11 -0.14 2.61 4.06 -1.68 -3.31 115.95 117.60 1ug0 h TRP 14 Ca 0.00 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 1ug0 h TRP 14 Cb 0.12 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 1ug0 h TRP 14 CO 0.00 1.14 0.06 -0.07 -3.56 0.00 0.00 178.44 176.02 1ug0 h LEU 15 N 0.02 0.17 -1.95 -4.49 4.07 -1.08 -0.48 115.31 111.56 1ug0 h LEU 15 Ca -0.27 -0.01 0.16 0.00 0.08 0.00 0.00 57.88 57.84 1ug0 h LEU 15 Cb 1.99 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 43.66 1ug0 h LEU 15 CO 0.09 0.15 0.40 -0.33 -1.08 0.00 0.00 178.44 177.68 1ug0 h GLU 16 N 0.20 0.04 -4.00 1.13 5.08 -1.62 -3.26 114.58 112.15 1ug0 h GLU 16 Ca 0.05 -0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.71 1ug0 h GLU 16 Cb 0.03 -0.01 -0.35 0.00 0.50 0.00 0.00 28.75 28.93 1ug0 h GLU 16 CO -0.01 0.03 -0.44 0.42 -1.00 0.00 0.00 179.01 178.01 1ug0 s ILE 17 N -5.06 3.58 1.17 3.13 1.09 -0.19 -5.08 121.20 119.85 1ug0 s ILE 17 Ca -0.05 -2.52 -0.16 0.00 -1.10 0.00 0.00 60.65 56.82 1ug0 s ILE 17 Cb 0.20 -3.38 0.27 0.00 -1.06 0.00 0.00 42.46 38.49 1ug0 s ILE 17 CO 0.74 -0.80 1.05 -0.75 -0.10 0.00 0.00 174.94 175.08 1ug0 s LYS 18 N 0.52 -0.98 -0.05 2.79 2.47 -1.23 -4.95 119.74 118.30 1ug0 s LYS 18 Ca 0.13 0.39 -0.09 0.00 -1.56 0.00 0.00 55.97 54.83 1ug0 s LYS 18 Cb -0.22 -1.58 -0.05 0.00 -1.46 0.00 0.00 37.83 34.52 1ug0 s LYS 18 CO -0.04 -3.65 0.26 0.08 0.16 0.00 0.00 175.35 172.16 1ug0 s VAL 19 N -2.71 5.30 0.11 4.02 1.01 -1.26 -5.09 120.40 121.78 1ug0 s VAL 19 Ca 0.68 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 63.04 1ug0 s VAL 19 Cb -0.18 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1ug0 s VAL 19 CO 0.59 0.55 0.31 -0.94 0.00 0.00 0.00 175.10 175.61 1ug0 s SER 20 N -1.20 6.44 1.00 3.32 1.04 -1.26 -4.03 113.70 119.01 1ug0 s SER 20 Ca 0.21 0.46 -0.15 0.00 0.48 0.00 0.00 55.95 56.95 1ug0 s SER 20 Cb -0.14 -2.04 0.19 0.00 0.10 0.00 0.00 66.02 64.14 1ug0 s SER 20 CO 0.10 0.10 1.18 -2.16 0.98 0.00 0.00 173.24 173.43 1ug0 s PRO 21 N -2.62 0.37 0.00 4.02 0.04 -1.26 -4.92 135.00 130.64 1ug0 s PRO 21 Ca 0.39 -0.00 0.13 0.00 0.04 0.00 0.00 61.00 61.56 1ug0 s PRO 21 Cb -0.12 -1.78 0.80 0.00 0.04 0.00 0.00 34.50 33.44 1ug0 s PRO 21 CO 0.26 -2.66 1.34 -0.35 0.04 0.00 0.00 177.00 175.62 1ug0 n PRO 22 N -4.03 0.75 0.10 0.56 -0.04 -1.26 -2.88 135.00 128.20 1ug0 n PRO 22 Ca 0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1ug0 n PRO 22 Cb 0.59 -1.28 0.06 0.00 -0.04 0.00 0.00 33.50 32.83 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 0.10 0.00 0.54 5.08 -1.95 -2.89 114.58 115.46 1ug0 h GLU 23 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ug0 h GLU 23 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ug0 h GLU 23 CO 0.00 0.81 0.00 0.41 -1.00 0.00 0.00 179.01 179.23 1ug0 n GLY 24 N 0.63 -0.93 0.34 -3.84 0.00 -1.14 -2.63 105.19 97.62 1ug0 n GLY 24 Ca -0.02 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 2.11 -0.52 -0.17 4.61 0.00 -1.74 0.31 119.26 123.86 1ug0 h ALA 25 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ug0 h ALA 25 Cb 0.11 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ug0 h ALA 25 CO 0.00 -0.86 0.14 1.49 0.00 0.00 0.00 179.25 180.03 1ug0 h GLU 26 N -0.51 0.00 0.00 0.00 4.81 -1.73 0.50 114.58 117.64 1ug0 h GLU 26 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 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 -0.23 0.00 -0.04 1.15 -0.73 0.00 0.00 179.01 179.16 1ug0 h THR 27 N 0.00 0.00 -1.09 0.32 2.02 -0.90 -3.26 112.91 109.99 1ug0 h THR 27 Ca 0.08 -0.50 0.32 0.00 0.77 0.00 0.00 66.41 67.07 1ug0 h THR 27 Cb 0.37 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 1ug0 h THR 27 CO -0.00 0.00 0.79 0.08 0.37 0.00 0.00 175.52 176.76 1ug0 h ARG 28 N 0.00 0.00 0.00 6.66 -0.00 0.35 1.56 114.38 122.95 1ug0 h ARG 28 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 1ug0 h ARG 28 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.72 1ug0 h ARG 28 CO 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 179.97 179.81 1ug0 h ARG 29 N 0.00 0.00 0.00 0.08 3.08 -1.71 1.46 114.38 117.29 1ug0 h ARG 29 Ca 0.52 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.52 1ug0 h ARG 29 Cb 2.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.14 1ug0 h ARG 29 CO -0.01 0.16 -1.59 0.28 -1.07 0.00 0.00 179.97 177.74 1ug0 n VAL 30 N -3.86 0.47 -0.07 2.04 0.31 0.52 -4.01 118.33 113.73 1ug0 n VAL 30 Ca -0.02 -0.57 -0.09 0.00 -0.01 0.00 0.00 64.34 63.65 1ug0 n VAL 30 Cb 0.25 -0.25 -0.06 0.00 -0.91 0.00 0.00 33.84 32.88 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 0.54 -1.05 2.52 2.04 -0.10 -3.31 117.51 118.15 1ug0 h ILE 31 Ca -0.06 -1.52 0.38 0.00 1.00 0.00 0.00 64.86 64.66 1ug0 h ILE 31 Cb 1.16 1.14 -0.16 0.00 -0.74 0.00 0.00 36.82 38.22 1ug0 h ILE 31 CO 0.01 0.18 0.60 -0.33 0.00 0.00 0.00 178.15 178.62 1ug0 h GLU 32 N -1.00 0.14 -0.24 2.37 5.08 0.18 1.23 114.58 122.33 1ug0 h GLU 32 Ca -0.08 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1ug0 h GLU 32 Cb 0.65 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1ug0 h GLU 32 CO -0.05 0.09 0.11 -0.22 -1.00 0.00 0.00 179.01 177.94 1ug0 h LYS 33 N 0.14 0.23 -0.60 2.33 1.63 -1.70 1.44 116.57 120.04 1ug0 h LYS 33 Ca 0.80 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.69 1ug0 h LYS 33 Cb 2.08 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 33.58 1ug0 h LYS 33 CO -0.65 0.15 0.18 1.25 -3.45 0.00 0.00 179.45 176.94 1ug0 h LEU 34 N 0.24 0.12 0.43 5.20 6.46 0.14 0.70 115.31 128.60 1ug0 h LEU 34 Ca 0.10 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1ug0 h LEU 34 Cb 0.04 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1ug0 h LEU 34 CO -0.08 0.07 -0.21 0.00 -0.62 0.00 0.00 178.44 177.60 1ug0 h ALA 35 N 1.45 -0.63 -1.02 1.25 0.00 -0.66 0.62 119.26 120.26 1ug0 h ALA 35 Ca 0.31 -0.13 0.30 0.00 0.00 0.00 0.00 54.91 55.39 1ug0 h ALA 35 Cb 0.43 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1ug0 h ALA 35 CO -0.35 -0.59 0.92 -0.09 0.00 0.00 0.00 179.25 179.14 1ug0 h ARG 36 N -1.05 0.00 0.05 0.00 2.43 0.22 0.74 114.38 116.77 1ug0 h ARG 36 Ca -0.06 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.86 1ug0 h ARG 36 Cb 0.45 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1ug0 h ARG 36 CO 0.10 0.00 -1.36 0.35 -1.51 0.00 0.00 179.97 177.54 1ug0 h PHE 37 N 0.00 0.19 0.00 2.20 3.57 0.52 -3.27 116.94 120.15 1ug0 h PHE 37 Ca 0.48 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1ug0 h PHE 37 Cb 2.33 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 41.06 1ug0 h PHE 37 CO 0.00 1.54 0.00 0.28 -2.23 0.00 0.00 178.31 177.90 1ug0 n VAL 38 N -4.15 0.00 -0.62 1.41 0.31 0.21 -2.13 118.33 113.36 1ug0 n VAL 38 Ca -0.29 0.95 0.48 0.00 -0.01 0.00 0.00 64.34 65.47 1ug0 n VAL 38 Cb 0.79 -1.86 0.76 0.00 -0.91 0.00 0.00 33.84 32.62 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 -1.70 1.69 0.18 3.52 0.00 0.22 0.53 120.51 124.95 1ug0 n ALA 39 Ca 0.00 0.70 -0.07 0.00 0.00 0.00 0.00 53.44 54.07 1ug0 n ALA 39 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.44 0.03 0.00 4.39 -1.57 -3.40 114.58 113.60 1ug0 h GLU 40 Ca 0.90 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.62 1ug0 h GLU 40 Cb 3.40 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 32.15 1ug0 h GLU 40 CO -0.14 -0.29 -0.02 0.78 -1.16 0.00 0.00 179.01 178.18 1ug0 h GLY 41 N -0.52 -0.05 0.00 -3.84 0.00 0.22 -3.51 103.07 95.37 1ug0 h GLY 41 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1ug0 h GLY 41 CO 0.08 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1ug0 n GLY 42 N 1.61 -0.26 0.14 4.60 0.00 0.19 -4.93 105.19 106.54 1ug0 n GLY 42 Ca -0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 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 0.26 -0.78 1.61 0.13 -1.97 -3.10 132.00 128.15 1ug0 h PRO 43 Ca 0.00 -0.25 0.23 0.00 -0.87 0.00 0.00 66.00 65.11 1ug0 h PRO 43 Cb 0.00 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.16 1ug0 h PRO 43 CO 0.00 0.94 0.60 1.49 -0.23 0.00 0.00 178.00 180.80 1ug0 h GLU 44 N 0.16 0.00 0.10 0.86 4.81 -1.95 0.59 114.58 119.15 1ug0 h GLU 44 Ca -0.04 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.90 1ug0 h GLU 44 Cb 1.42 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.82 1ug0 h GLU 44 CO 0.13 0.00 -1.20 -0.07 -0.73 0.00 0.00 179.01 177.14 1ug0 h LEU 45 N 0.00 0.78 -0.86 1.64 -0.00 -1.88 -2.31 115.31 112.68 1ug0 h LEU 45 Ca 0.37 -0.71 -0.02 0.00 -0.00 0.00 0.00 57.88 57.52 1ug0 h LEU 45 Cb 1.56 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 41.94 1ug0 h LEU 45 CO -0.00 1.53 0.48 -0.08 -0.00 0.00 0.00 178.44 180.36 1ug0 h GLU 46 N 0.25 1.20 -0.41 1.13 4.22 0.05 1.22 114.58 122.24 1ug0 h GLU 46 Ca -0.16 -0.14 -0.14 0.00 0.08 0.00 0.00 59.36 59.00 1ug0 h GLU 46 Cb 1.87 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1ug0 h GLU 46 CO 0.22 0.87 -0.28 0.87 -2.18 0.00 0.00 179.01 178.52 1ug0 h LYS 47 N 1.20 0.91 -0.21 1.92 1.57 -1.08 -2.62 116.57 118.26 1ug0 h LYS 47 Ca 0.30 -0.43 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 1ug0 h LYS 47 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1ug0 h LYS 47 CO -0.05 1.09 -0.47 0.28 -0.57 0.00 0.00 179.45 179.72 1ug0 h VAL 48 N 0.74 1.31 -0.74 0.50 2.07 -0.84 -2.94 116.25 116.36 1ug0 h VAL 48 Ca 0.08 -1.68 0.09 0.00 0.82 0.00 0.00 66.70 66.01 1ug0 h VAL 48 Cb 0.86 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 1ug0 h VAL 48 CO 0.08 0.53 0.39 0.00 0.02 0.00 0.00 177.57 178.58 1ug0 h ALA 49 N 1.05 1.02 0.00 1.67 0.00 0.17 0.58 119.26 123.74 1ug0 h ALA 49 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ug0 h ALA 49 Cb 0.99 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ug0 h ALA 49 CO 0.09 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 178.03 1ug0 n MET 50 N -4.81 0.09 -0.06 0.00 2.00 -1.01 -1.07 117.12 112.26 1ug0 n MET 50 Ca 0.11 0.44 -0.21 0.00 0.00 0.00 0.00 57.70 58.04 1ug0 n MET 50 Cb 0.25 -1.72 -0.13 0.00 0.00 0.00 0.00 33.22 31.62 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 -1.91 0.69 -0.17 0.03 4.07 0.18 -2.48 120.64 121.05 1ug0 n GLU 51 Ca 0.01 0.27 -0.08 0.00 -0.06 0.00 0.00 57.16 57.31 1ug0 n GLU 51 Cb 0.13 -1.64 0.07 0.00 -0.06 0.00 0.00 31.44 29.94 1ug0 n GLU 51 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1ug0 h ASP 52 N -0.18 0.94 -0.60 4.31 3.58 -0.36 -2.76 116.42 121.35 1ug0 h ASP 52 Ca -0.48 -0.27 -0.30 0.00 0.42 0.00 0.00 57.03 56.40 1ug0 h ASP 52 Cb 1.87 -0.25 -0.18 0.00 1.72 0.00 0.00 39.33 42.49 1ug0 h ASP 52 CO -0.05 1.02 0.20 -1.22 -2.88 0.00 0.00 179.24 176.31 1ug0 n TYR 53 N -4.18 1.87 -0.21 0.28 4.01 -0.24 -4.73 117.16 113.97 1ug0 n TYR 53 Ca 0.02 -1.64 -0.09 0.00 -0.16 0.00 0.00 57.90 56.03 1ug0 n TYR 53 Cb 0.35 -0.66 -0.05 0.00 -0.31 0.00 0.00 39.34 38.67 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 1.13 -0.23 -3.27 -0.72 1.63 -1.18 -3.05 116.57 110.89 1ug0 h LYS 54 Ca 0.36 0.02 -0.67 0.00 -0.85 0.00 0.00 60.65 59.51 1ug0 h LYS 54 Cb 2.12 0.05 -0.38 0.00 -0.60 0.00 0.00 32.23 33.43 1ug0 h LYS 54 CO 0.66 -0.16 -0.34 0.34 -3.45 0.00 0.00 179.45 176.50 1ug0 s ASP 55 N -5.17 5.36 -0.07 4.20 2.15 -1.26 -5.02 116.67 116.86 1ug0 s ASP 55 Ca -0.14 -3.62 -0.01 0.00 0.43 0.00 0.00 52.55 49.20 1ug0 s ASP 55 Cb 0.12 -1.78 0.03 0.00 -0.30 0.00 0.00 42.92 40.99 1ug0 s ASP 55 CO 0.65 -0.17 -0.00 0.21 -0.17 0.00 0.00 175.17 175.68 1ug0 s ASN 56 N -0.54 1.62 0.00 -0.34 3.84 -1.15 -4.99 114.94 113.38 1ug0 s ASN 56 Ca 0.24 -0.10 0.24 0.00 0.21 0.00 0.00 52.86 53.45 1ug0 s ASN 56 Cb -0.09 -0.47 1.36 0.00 -0.55 0.00 0.00 41.25 41.50 1ug0 s ASN 56 CO -0.12 -0.19 1.78 -0.81 -2.79 0.00 0.00 177.10 174.98 1ug0 n PRO 57 N 5.12 0.64 -0.13 0.43 -0.04 -1.26 -2.78 135.00 136.98 1ug0 n PRO 57 Ca -0.08 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.15 1ug0 n PRO 57 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.07 1.28 0.13 0.55 0.00 -1.26 -4.35 120.51 115.79 1ug0 n ALA 58 Ca 0.16 -1.09 -0.08 0.00 0.00 0.00 0.00 53.44 52.44 1ug0 n ALA 58 Cb 0.11 0.02 0.09 0.00 0.00 0.00 0.00 19.45 19.66 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 -3.86 1.16 0.15 0.00 3.01 -1.17 -4.30 117.46 112.46 1ug0 n PHE 59 Ca -0.51 -0.92 0.09 0.00 1.01 0.00 0.00 57.45 57.12 1ug0 n PHE 59 Cb 0.93 -0.49 0.45 0.00 -0.01 0.00 0.00 39.48 40.36 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 -0.09 1.22 0.03 4.37 -2.24 -1.12 -1.10 114.28 115.36 1ug0 n THR 60 Ca 0.22 0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 62.51 1ug0 n THR 60 Cb 0.92 -1.63 -0.01 0.00 -2.10 0.00 0.00 70.33 67.50 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 0.73 0.00 4.78 -0.00 -1.83 -2.83 116.94 117.79 1ug0 h PHE 61 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 57.97 57.64 1ug0 h PHE 61 Cb 0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 35.95 35.88 1ug0 h PHE 61 CO 0.00 1.12 0.00 -0.11 -0.00 0.00 0.00 178.31 179.32 1ug0 n LEU 62 N -3.86 0.00 0.10 2.10 7.94 -0.26 -2.62 117.00 120.41 1ug0 n LEU 62 Ca -0.06 0.91 -0.16 0.00 -1.11 0.00 0.00 56.01 55.59 1ug0 n LEU 62 Cb 0.74 -0.41 -0.10 0.00 0.53 0.00 0.00 43.42 44.19 1ug0 n LEU 62 CO 0.50 -0.41 0.51 0.45 -1.11 0.00 0.00 177.39 177.34 1ug0 h HIS 63 N 0.00 -1.48 -0.29 1.96 3.86 -1.71 -3.10 115.15 114.38 1ug0 h HIS 63 Ca 0.00 0.04 -0.53 0.00 -1.16 0.00 0.00 60.37 58.72 1ug0 h HIS 63 Cb 0.00 0.63 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 1ug0 h HIS 63 CO -0.45 -0.57 1.84 -0.25 0.86 0.00 0.00 177.93 179.36 1ug0 n ASP 64 N -5.34 3.13 -0.33 2.45 9.92 -1.07 -4.71 116.55 120.60 1ug0 n ASP 64 Ca -0.08 -2.73 0.21 0.00 -0.53 0.00 0.00 54.79 51.67 1ug0 n ASP 64 Cb 0.39 -1.49 0.43 0.00 -0.64 0.00 0.00 41.12 39.81 1ug0 n ASP 64 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1ug0 h LYS 65 N 8.47 0.27 -2.28 -1.24 1.57 -1.45 0.31 116.57 122.22 1ug0 h LYS 65 Ca 0.35 -0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 58.56 1ug0 h LYS 65 Cb 0.80 -0.06 -0.13 0.00 0.08 0.00 0.00 32.23 32.92 1ug0 h LYS 65 CO 1.59 0.18 1.22 -1.71 -0.57 0.00 0.00 179.45 180.16 1ug0 n ASN 66 N -5.11 7.01 0.00 0.86 2.85 -1.26 -4.38 115.26 115.23 1ug0 n ASN 66 Ca 0.29 -3.05 0.00 0.00 -0.11 0.00 0.00 54.58 51.72 1ug0 n ASN 66 Cb 0.91 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 40.61 1ug0 n ASN 66 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1ug0 n SER 67 N 1.56 0.00 0.00 1.20 3.41 0.11 -5.07 113.62 114.83 1ug0 n SER 67 Ca 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1ug0 n SER 67 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.27 0.00 -0.00 4.33 0.00 -1.26 -4.96 116.66 113.50 1ug0 n ARG 68 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1ug0 n ARG 68 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 32.46 32.32 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 0.08 0.00 2.89 3.07 -1.90 -3.28 114.58 115.44 1ug0 h GLU 69 Ca 0.00 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 1ug0 h GLU 69 Cb 0.00 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1ug0 h GLU 69 CO 0.00 0.73 -0.15 0.35 -1.40 0.00 0.00 179.01 178.54 1ug0 h PHE 70 N 0.02 0.00 0.06 4.33 3.57 -1.80 -0.32 116.94 122.80 1ug0 h PHE 70 Ca -0.29 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.21 1ug0 h PHE 70 Cb 2.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.74 1ug0 h PHE 70 CO 0.02 0.15 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.16 1ug0 h LEU 71 N 0.00 -0.07 -1.46 0.59 -0.00 -1.77 -2.89 115.31 109.72 1ug0 h LEU 71 Ca -0.00 -0.54 0.06 0.00 -0.00 0.00 0.00 57.88 57.40 1ug0 h LEU 71 Cb 0.27 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 40.91 1ug0 h LEU 71 CO 0.02 0.54 0.43 0.22 -0.00 0.00 0.00 178.44 179.65 1ug0 h TYR 72 N -0.72 0.66 -0.43 1.13 3.20 -1.55 -1.67 116.97 117.58 1ug0 h TYR 72 Ca -0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ug0 h TYR 72 Cb 0.60 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1ug0 h TYR 72 CO 0.13 0.36 0.25 -0.92 -1.64 0.00 0.00 178.16 176.34 1ug0 h TYR 73 N 0.66 0.57 0.00 -3.82 3.20 -1.06 -1.22 116.97 115.29 1ug0 h TYR 73 Ca 0.28 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 1ug0 h TYR 73 Cb 0.25 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1ug0 h TYR 73 CO -0.00 0.41 -0.26 0.00 -1.64 0.00 0.00 178.16 176.67 1ug0 h ARG 74 N 0.56 0.00 -0.19 1.82 3.08 -1.11 0.41 114.38 118.95 1ug0 h ARG 74 Ca 0.15 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1ug0 h ARG 74 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1ug0 h ARG 74 CO -0.03 0.26 -0.05 0.00 -1.07 0.00 0.00 179.97 179.09 1ug0 h ARG 75 N 0.00 0.37 -0.13 0.04 2.47 -0.58 -2.70 114.38 113.84 1ug0 h ARG 75 Ca -0.00 -0.14 -0.20 0.00 -1.26 0.00 0.00 59.98 58.37 1ug0 h ARG 75 Cb 0.47 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1ug0 h ARG 75 CO 0.03 0.63 -0.74 0.87 0.56 0.00 0.00 179.97 181.32 1ug0 h LYS 76 N 0.08 0.63 -0.98 0.04 1.79 -0.93 -3.05 116.57 114.15 1ug0 h LYS 76 Ca 0.05 -0.50 0.22 0.00 -2.18 0.00 0.00 60.65 58.23 1ug0 h LYS 76 Cb 0.49 0.10 -0.12 0.00 -1.58 0.00 0.00 32.23 31.13 1ug0 h LYS 76 CO 0.02 1.12 0.56 0.28 -1.08 0.00 0.00 179.45 180.35 1ug0 h VAL 77 N 0.43 0.58 0.00 0.50 2.07 -0.13 1.61 116.25 121.32 1ug0 h VAL 77 Ca -0.04 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1ug0 h VAL 77 Cb 1.34 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1ug0 h VAL 77 CO 0.14 0.11 -0.37 0.00 0.02 0.00 0.00 177.57 177.47 1ug0 h ALA 78 N 1.69 1.22 0.09 1.67 0.00 -1.38 0.74 119.26 123.29 1ug0 h ALA 78 Ca 0.60 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ug0 h ALA 78 Cb 1.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ug0 h ALA 78 CO -0.45 0.47 -0.04 1.49 0.00 0.00 0.00 179.25 180.71 1ug0 h GLU 79 N 0.00 -0.12 -0.63 0.00 4.57 0.20 -3.15 114.58 115.45 1ug0 h GLU 79 Ca -0.00 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1ug0 h GLU 79 Cb 0.74 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 1ug0 h GLU 79 CO 0.05 0.37 0.03 0.97 -1.18 0.00 0.00 179.01 179.25 1ug0 h ILE 80 N -0.92 1.27 -0.08 2.32 -0.00 0.24 -3.24 117.51 117.10 1ug0 h ILE 80 Ca -0.01 -1.13 0.01 0.00 -0.00 0.00 0.00 64.86 63.72 1ug0 h ILE 80 Cb 0.54 0.75 -0.01 0.00 -0.00 0.00 0.00 36.82 38.10 1ug0 h ILE 80 CO 0.02 0.42 -0.08 0.03 -0.00 0.00 0.00 178.15 178.53 1ug0 h ARG 81 N 1.00 -0.05 -6.38 2.19 2.47 0.40 -3.40 114.38 110.61 1ug0 h ARG 81 Ca 0.18 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 58.29 1ug0 h ARG 81 Cb 0.54 0.01 0.11 0.00 -1.65 0.00 0.00 29.97 28.97 1ug0 h ARG 81 CO 0.03 -0.03 0.02 1.17 0.56 0.00 0.00 179.97 181.71 1ug0 n LYS 82 N -3.15 1.10 0.00 0.04 0.00 -1.19 -4.76 118.16 110.20 1ug0 n LYS 82 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1ug0 n LYS 82 Cb 0.05 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.38 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 1.40 0.00 0.00 3.14 2.88 -1.26 -4.96 113.62 114.81 1ug0 n SER 83 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1ug0 n SER 83 Cb 0.30 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.38 -1.53 3.78 0.46 0.00 -1.26 -5.16 105.19 100.10 1ug0 n GLY 84 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 1ug0 n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug0 s PRO 85 N 0.00 0.30 -0.15 1.61 0.04 -1.26 -5.09 135.00 130.46 1ug0 s PRO 85 Ca 0.00 -0.03 -0.30 0.00 0.04 0.00 0.00 61.00 60.70 1ug0 s PRO 85 Cb 0.00 -1.77 0.13 0.00 0.04 0.00 0.00 34.50 32.90 1ug0 s PRO 85 CO 0.00 -2.70 1.05 0.45 0.04 0.00 0.00 177.00 175.83 1ug0 s SER 86 N -4.26 -0.30 -0.08 6.66 0.15 -1.26 -4.96 113.70 109.64 1ug0 s SER 86 Ca 0.69 0.23 -0.02 0.00 0.70 0.00 0.00 55.95 57.55 1ug0 s SER 86 Cb -0.10 0.27 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1ug0 s SER 86 CO 0.54 -0.35 0.04 -1.20 1.20 0.00 0.00 173.24 173.47 1ug0 n SER 87 N 0.40 -6.18 0.00 5.45 7.64 -1.26 -5.25 113.62 114.42 1ug0 n SER 87 Ca -0.07 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.71 1ug0 n SER 87 Cb 0.59 -2.79 0.00 0.00 -1.01 0.00 0.00 64.21 61.00 1ug0 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64