#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 -0.61 0.03 1.61 7.64 -1.26 -4.92 113.62 116.11 1ug0 n SER 2 Ca 0.00 1.05 -0.01 0.00 1.01 0.00 0.00 58.87 60.93 1ug0 n SER 2 Cb 0.00 -1.08 -0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1ug0 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ug0 n SER 3 N 1.63 1.09 -0.45 6.43 7.64 -1.26 -5.15 113.62 123.55 1ug0 n SER 3 Ca 0.13 0.14 0.06 0.00 1.01 0.00 0.00 58.87 60.21 1ug0 n SER 3 Cb 0.32 -0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 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 3.29 -2.68 3.39 0.23 0.00 -1.26 -4.67 105.19 103.49 1ug0 n GLY 4 Ca -0.01 -1.34 -0.45 0.00 0.00 0.00 0.00 46.02 44.22 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 -5.20 6.84 -0.17 1.61 0.01 -1.26 -4.98 113.70 110.55 1ug0 s SER 5 Ca 0.00 -2.65 0.01 0.00 1.31 0.00 0.00 55.95 54.61 1ug0 s SER 5 Cb 0.00 -2.30 0.02 0.00 0.21 0.00 0.00 66.02 63.96 1ug0 s SER 5 CO 0.00 -0.71 -0.16 -0.44 0.41 0.00 0.00 173.24 172.34 1ug0 s SER 6 N 2.61 2.94 0.00 2.44 0.01 -1.26 -4.93 113.70 115.51 1ug0 s SER 6 Ca 0.28 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1ug0 s SER 6 Cb -0.07 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1ug0 s SER 6 CO -0.08 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1ug0 n GLY 7 N 4.70 -1.56 5.10 3.44 0.00 -1.26 -5.06 105.19 110.55 1ug0 n GLY 7 Ca -0.18 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1ug0 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ug0 n GLU 8 N 0.00 0.00 0.01 1.61 4.07 -1.26 -4.01 120.64 121.06 1ug0 n GLU 8 Ca 0.00 0.00 0.22 0.00 -0.06 0.00 0.00 57.16 57.32 1ug0 n GLU 8 Cb 0.00 0.00 0.56 0.00 -0.06 0.00 0.00 31.44 31.94 1ug0 n GLU 8 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1ug0 h GLU 9 N 0.00 0.00 -0.70 5.31 4.11 -2.02 0.41 114.58 121.69 1ug0 h GLU 9 Ca 0.00 0.00 0.20 0.00 0.07 0.00 0.00 59.36 59.63 1ug0 h GLU 9 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1ug0 h GLU 9 CO 0.00 0.00 0.82 -0.44 0.07 0.00 0.00 179.01 179.46 1ug0 h ASP 10 N 0.00 0.00 -0.30 3.06 5.19 -1.98 0.47 116.42 122.86 1ug0 h ASP 10 Ca 0.28 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.78 1ug0 h ASP 10 Cb 1.89 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.39 1ug0 h ASP 10 CO -0.00 0.00 0.63 0.10 -3.12 0.00 0.00 179.24 176.85 1ug0 h TYR 11 N 0.00 0.00 0.00 4.55 -0.00 -0.54 1.61 116.97 122.59 1ug0 h TYR 11 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.98 1ug0 h TYR 11 Cb 1.97 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.69 1ug0 h TYR 11 CO 0.00 0.00 -1.85 -0.85 -0.00 0.00 0.00 178.16 175.46 1ug0 n GLU 12 N -3.13 0.65 0.20 0.10 0.28 0.16 -3.86 120.64 115.05 1ug0 n GLU 12 Ca 0.05 -0.07 0.14 0.00 -0.16 0.00 0.00 57.16 57.12 1ug0 n GLU 12 Cb 0.75 -1.60 0.73 0.00 1.43 0.00 0.00 31.44 32.75 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 0.00 3.44 -0.00 0.23 0.63 115.11 119.41 1ug0 h GLN 13 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 1ug0 h GLN 13 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 1ug0 h GLN 13 CO 0.01 0.00 0.00 -1.49 -0.00 0.00 0.00 178.83 177.35 1ug0 h TRP 14 N 0.00 0.00 0.00 0.06 4.06 -1.67 -2.65 115.95 115.75 1ug0 h TRP 14 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 1ug0 h TRP 14 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1ug0 h TRP 14 CO 0.00 0.00 -0.21 -0.07 -3.56 0.00 0.00 178.44 174.60 1ug0 h LEU 15 N 0.00 0.00 -1.50 -4.49 3.38 0.03 -2.78 115.31 109.94 1ug0 h LEU 15 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ug0 h LEU 15 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1ug0 h LEU 15 CO 0.00 0.21 -0.04 -0.33 0.09 0.00 0.00 178.44 178.37 1ug0 h GLU 16 N 0.00 0.27 -3.96 1.13 5.08 -1.54 -3.33 114.58 112.23 1ug0 h GLU 16 Ca -0.00 -0.05 -0.69 0.00 -1.00 0.00 0.00 59.36 57.62 1ug0 h GLU 16 Cb 0.80 -0.05 -0.35 0.00 0.50 0.00 0.00 28.75 29.65 1ug0 h GLU 16 CO 0.03 0.33 -0.46 0.42 -1.00 0.00 0.00 179.01 178.33 1ug0 s ILE 17 N -4.92 3.44 1.01 3.13 1.09 -1.05 -5.09 121.20 118.82 1ug0 s ILE 17 Ca -0.06 -2.61 -0.11 0.00 -1.10 0.00 0.00 60.65 56.77 1ug0 s ILE 17 Cb 0.16 -3.30 0.20 0.00 -1.06 0.00 0.00 42.46 38.46 1ug0 s ILE 17 CO 0.73 -0.79 1.09 -0.54 -0.10 0.00 0.00 174.94 175.33 1ug0 s LYS 18 N 0.42 0.26 -0.09 2.79 -0.14 -1.25 -4.95 119.74 116.77 1ug0 s LYS 18 Ca 0.13 1.21 -0.23 0.00 -1.36 0.00 0.00 55.97 55.72 1ug0 s LYS 18 Cb -0.22 -1.66 -0.03 0.00 -1.68 0.00 0.00 37.83 34.24 1ug0 s LYS 18 CO -0.04 -3.04 0.69 0.08 -0.76 0.00 0.00 175.35 172.28 1ug0 s VAL 19 N -2.60 5.04 0.23 3.17 1.01 -1.26 -5.05 120.40 120.95 1ug0 s VAL 19 Ca 0.67 1.40 -0.13 0.00 0.00 0.00 0.00 61.98 63.92 1ug0 s VAL 19 Cb -0.23 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 1ug0 s VAL 19 CO 0.61 0.22 0.61 -0.44 0.00 0.00 0.00 175.10 176.10 1ug0 s SER 20 N 0.87 6.75 1.01 3.32 0.01 -1.26 -4.03 113.70 120.36 1ug0 s SER 20 Ca 0.36 1.09 -0.15 0.00 1.31 0.00 0.00 55.95 58.56 1ug0 s SER 20 Cb -0.17 -2.29 0.20 0.00 0.21 0.00 0.00 66.02 63.96 1ug0 s SER 20 CO 0.16 -0.06 1.18 -2.16 0.41 0.00 0.00 173.24 172.78 1ug0 s PRO 21 N -2.60 0.34 0.00 12.44 0.04 -1.26 -4.81 135.00 139.15 1ug0 s PRO 21 Ca 0.47 -0.02 0.13 0.00 0.04 0.00 0.00 61.00 61.62 1ug0 s PRO 21 Cb -0.12 -1.77 0.79 0.00 0.04 0.00 0.00 34.50 33.43 1ug0 s PRO 21 CO 0.20 -2.68 1.33 -0.35 0.04 0.00 0.00 177.00 175.53 1ug0 n PRO 22 N -4.04 0.75 -0.03 0.56 -0.04 -1.26 -3.13 135.00 127.82 1ug0 n PRO 22 Ca 0.11 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.51 1ug0 n PRO 22 Cb 0.59 -1.28 0.13 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.61 0.00 0.54 4.81 -1.95 -2.18 114.58 116.41 1ug0 h GLU 23 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1ug0 h GLU 23 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1ug0 h GLU 23 CO 0.00 0.84 0.00 0.41 -0.73 0.00 0.00 179.01 179.53 1ug0 n GLY 24 N -0.19 -0.89 0.00 1.92 0.00 -1.18 -3.67 105.19 101.18 1ug0 n GLY 24 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ug0 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug0 n ALA 25 N -1.65 0.00 -0.38 4.61 0.00 -0.82 -0.72 120.51 121.55 1ug0 n ALA 25 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 1ug0 n ALA 25 Cb 0.10 0.35 0.03 0.00 0.00 0.00 0.00 19.45 19.93 1ug0 n ALA 25 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ug0 n GLU 26 N -1.91 -0.24 -0.37 0.00 1.02 -1.24 0.19 120.64 118.09 1ug0 n GLU 26 Ca 0.00 1.52 0.31 0.00 -0.02 0.00 0.00 57.16 58.97 1ug0 n GLU 26 Cb 0.00 -2.26 0.57 0.00 -0.02 0.00 0.00 31.44 29.74 1ug0 n GLU 26 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1ug0 h THR 27 N 0.00 0.16 -1.68 2.62 2.02 -1.12 0.72 112.91 115.63 1ug0 h THR 27 Ca 0.33 -0.05 0.49 0.00 0.77 0.00 0.00 66.41 67.95 1ug0 h THR 27 Cb 0.58 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 1ug0 h THR 27 CO -0.98 0.03 1.36 0.08 0.37 0.00 0.00 175.52 176.38 1ug0 h ARG 28 N 0.15 0.00 -0.22 6.66 -0.00 0.40 1.67 114.38 123.04 1ug0 h ARG 28 Ca 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.77 1ug0 h ARG 28 Cb 2.16 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 32.12 1ug0 h ARG 28 CO -0.57 0.00 0.11 0.00 -0.00 0.00 0.00 179.97 179.52 1ug0 h ARG 29 N 0.00 0.32 0.09 0.08 3.08 0.34 0.67 114.38 118.96 1ug0 h ARG 29 Ca 0.80 -0.04 -0.27 0.00 0.07 0.00 0.00 59.98 60.53 1ug0 h ARG 29 Cb 3.51 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 33.52 1ug0 h ARG 29 CO -0.01 0.31 -1.16 -0.24 -1.07 0.00 0.00 179.97 177.80 1ug0 h VAL 30 N 0.24 1.37 0.70 2.04 3.04 0.21 -3.25 116.25 120.60 1ug0 h VAL 30 Ca 0.08 -2.62 -0.03 0.00 -1.01 0.00 0.00 66.70 63.11 1ug0 h VAL 30 Cb 0.10 2.69 0.01 0.00 -2.01 0.00 0.00 31.29 32.07 1ug0 h VAL 30 CO -0.01 0.78 -0.33 0.40 -1.01 0.00 0.00 177.57 177.40 1ug0 h ILE 31 N 0.21 0.31 -1.22 3.17 2.04 -0.64 -1.47 117.51 119.91 1ug0 h ILE 31 Ca -0.14 -0.02 0.35 0.00 1.00 0.00 0.00 64.86 66.05 1ug0 h ILE 31 Cb 1.84 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1ug0 h ILE 31 CO 0.21 0.00 1.00 -0.33 0.00 0.00 0.00 178.15 179.03 1ug0 h GLU 32 N -0.95 0.00 -0.02 2.37 5.08 0.26 1.66 114.58 122.98 1ug0 h GLU 32 Ca -0.10 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.08 1ug0 h GLU 32 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.99 1ug0 h GLU 32 CO 0.16 0.00 -0.70 -0.22 -1.00 0.00 0.00 179.01 177.24 1ug0 h LYS 33 N 0.00 0.50 -0.28 2.33 1.63 -1.33 -1.99 116.57 117.43 1ug0 h LYS 33 Ca 0.58 -0.52 -0.16 0.00 -0.85 0.00 0.00 60.65 59.70 1ug0 h LYS 33 Cb 2.58 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 34.35 1ug0 h LYS 33 CO -0.01 1.16 -0.43 1.25 -3.45 0.00 0.00 179.45 177.97 1ug0 h LEU 34 N 0.06 0.87 -0.44 5.20 5.85 0.28 -0.97 115.31 126.15 1ug0 h LEU 34 Ca -0.08 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.15 1ug0 h LEU 34 Cb 1.39 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1ug0 h LEU 34 CO 0.14 1.22 0.23 0.00 -0.34 0.00 0.00 178.44 179.68 1ug0 h ALA 35 N 0.68 0.55 0.85 1.25 0.00 0.77 0.14 119.26 123.50 1ug0 h ALA 35 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ug0 h ALA 35 Cb 1.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ug0 h ALA 35 CO 0.10 -0.12 -0.41 -0.09 0.00 0.00 0.00 179.25 178.73 1ug0 h ARG 36 N 0.46 -1.10 -0.82 0.00 2.43 -1.28 0.23 114.38 114.29 1ug0 h ARG 36 Ca 0.19 0.08 0.20 0.00 -0.81 0.00 0.00 59.98 59.63 1ug0 h ARG 36 Cb 0.08 0.25 -0.13 0.00 -0.42 0.00 0.00 29.97 29.75 1ug0 h ARG 36 CO -0.12 -0.73 0.16 0.35 -1.51 0.00 0.00 179.97 178.11 1ug0 h PHE 37 N -1.30 0.22 0.00 2.20 3.57 -1.04 0.89 116.94 121.48 1ug0 h PHE 37 Ca -0.12 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1ug0 h PHE 37 Cb 0.88 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1ug0 h PHE 37 CO -0.00 -0.19 0.00 0.28 -2.23 0.00 0.00 178.31 176.17 1ug0 n VAL 38 N -5.25 0.00 -0.62 1.41 0.31 0.48 -2.11 118.33 112.55 1ug0 n VAL 38 Ca 0.18 0.94 0.48 0.00 -0.01 0.00 0.00 64.34 65.92 1ug0 n VAL 38 Cb 0.58 -1.78 0.75 0.00 -0.91 0.00 0.00 33.84 32.47 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 -1.34 1.68 0.32 3.52 0.00 0.79 0.55 120.51 126.02 1ug0 n ALA 39 Ca 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 53.44 53.98 1ug0 n ALA 39 Cb 0.00 -1.06 -0.06 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 -0.79 0.00 0.00 4.39 0.93 -3.41 114.58 115.70 1ug0 h GLU 40 Ca 0.88 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.63 1ug0 h GLU 40 Cb 3.37 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 32.20 1ug0 h GLU 40 CO -0.11 -0.52 -0.01 0.78 -1.16 0.00 0.00 179.01 177.98 1ug0 h GLY 41 N -0.86 0.00 0.00 -3.84 0.00 0.65 -3.45 103.07 95.58 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 0.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.29 1ug0 n GLY 42 N 1.84 -0.48 0.12 4.60 0.00 0.11 -4.93 105.19 106.45 1ug0 n GLY 42 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 -0.63 1.61 0.13 -1.98 -3.09 132.00 128.04 1ug0 h PRO 43 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.27 1ug0 h PRO 43 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1ug0 h PRO 43 CO 0.00 0.68 0.43 1.49 -0.23 0.00 0.00 178.00 180.37 1ug0 h GLU 44 N 0.00 0.21 0.04 0.86 4.81 -1.95 0.10 114.58 118.66 1ug0 h GLU 44 Ca -0.01 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 1ug0 h GLU 44 Cb 1.27 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 30.63 1ug0 h GLU 44 CO 0.09 0.14 -1.02 -0.07 -0.73 0.00 0.00 179.01 177.42 1ug0 h LEU 45 N 0.22 0.83 -0.70 1.64 -0.00 -1.88 -2.24 115.31 113.18 1ug0 h LEU 45 Ca 0.30 -0.78 0.05 0.00 -0.00 0.00 0.00 57.88 57.45 1ug0 h LEU 45 Cb 0.88 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 41.24 1ug0 h LEU 45 CO -0.06 1.50 0.41 -0.08 -0.00 0.00 0.00 178.44 180.22 1ug0 h GLU 46 N 0.25 0.75 0.20 1.13 4.22 -0.91 1.04 114.58 121.26 1ug0 h GLU 46 Ca -0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.25 1ug0 h GLU 46 Cb 1.70 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1ug0 h GLU 46 CO 0.20 0.50 -0.09 0.87 -2.18 0.00 0.00 179.01 178.30 1ug0 h LYS 47 N 0.77 -0.25 -0.76 1.92 1.57 -1.08 -2.40 116.57 116.34 1ug0 h LYS 47 Ca 0.30 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.16 1ug0 h LYS 47 Cb 0.12 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1ug0 h LYS 47 CO -0.15 0.05 0.50 0.28 -0.57 0.00 0.00 179.45 179.55 1ug0 h VAL 48 N -0.57 1.03 -0.31 0.50 2.07 -1.01 -1.25 116.25 116.71 1ug0 h VAL 48 Ca -0.03 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1ug0 h VAL 48 Cb 0.42 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1ug0 h VAL 48 CO 0.04 0.15 -0.01 0.00 0.02 0.00 0.00 177.57 177.77 1ug0 h ALA 49 N 1.59 0.27 -0.09 1.67 0.00 0.14 0.27 119.26 123.11 1ug0 h ALA 49 Ca 0.33 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.35 1ug0 h ALA 49 Cb 0.25 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ug0 h ALA 49 CO -0.11 -0.41 0.14 0.52 0.00 0.00 0.00 179.25 179.38 1ug0 h MET 50 N 0.08 0.00 0.05 0.00 2.07 -0.73 -1.44 114.93 114.96 1ug0 h MET 50 Ca 0.15 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.65 1ug0 h MET 50 Cb 0.20 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.93 1ug0 h MET 50 CO -0.25 0.00 -0.63 1.49 1.07 0.00 0.00 176.91 178.59 1ug0 h GLU 51 N 0.00 0.10 -0.69 1.72 4.57 -0.37 -1.04 114.58 118.87 1ug0 h GLU 51 Ca 0.04 -0.17 0.13 0.00 -1.18 0.00 0.00 59.36 58.17 1ug0 h GLU 51 Cb 0.31 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.88 1ug0 h GLU 51 CO -0.00 1.08 0.25 0.22 -1.18 0.00 0.00 179.01 179.38 1ug0 h ASP 52 N -0.76 0.20 -0.62 1.04 3.58 0.20 0.14 116.42 120.20 1ug0 h ASP 52 Ca -0.14 0.10 -0.18 0.00 0.42 0.00 0.00 57.03 57.23 1ug0 h ASP 52 Cb 1.31 0.10 -0.11 0.00 1.72 0.00 0.00 39.33 42.35 1ug0 h ASP 52 CO 0.00 0.09 0.19 -1.22 -2.88 0.00 0.00 179.24 175.42 1ug0 n TYR 53 N -5.03 2.07 -0.40 0.28 4.01 -0.63 -4.63 117.16 112.82 1ug0 n TYR 53 Ca 0.12 -1.22 0.35 0.00 -0.16 0.00 0.00 57.90 56.99 1ug0 n TYR 53 Cb 0.37 -0.61 0.62 0.00 -0.31 0.00 0.00 39.34 39.41 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 2.30 0.06 -2.18 -0.72 3.64 0.69 0.12 116.57 120.48 1ug0 h LYS 54 Ca 0.23 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 59.03 1ug0 h LYS 54 Cb 2.13 -0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 33.52 1ug0 h LYS 54 CO 0.62 0.04 -0.78 -0.25 -2.27 0.00 0.00 179.45 176.81 1ug0 n ASP 55 N -4.91 3.16 -3.79 4.20 8.00 -1.26 -5.02 116.55 116.93 1ug0 n ASP 55 Ca 0.38 -3.39 -0.23 0.00 0.71 0.00 0.00 54.79 52.26 1ug0 n ASP 55 Cb 1.38 -0.61 -0.17 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.78 1.54 0.43 -2.24 3.84 0.42 -5.00 114.94 111.15 1ug0 s ASN 56 Ca 0.43 -0.09 0.28 0.00 0.21 0.00 0.00 52.86 53.69 1ug0 s ASN 56 Cb 0.25 -0.45 0.87 0.00 -0.55 0.00 0.00 41.25 41.37 1ug0 s ASN 56 CO -0.09 -0.18 1.79 1.55 -2.79 0.00 0.00 177.10 177.38 1ug0 h PRO 57 N 8.22 0.00 0.17 0.43 0.13 -1.96 -1.42 132.00 137.58 1ug0 h PRO 57 Ca -0.22 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.65 1ug0 h PRO 57 Cb 1.13 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.29 1ug0 h PRO 57 CO 0.28 0.00 -1.14 0.00 -0.23 0.00 0.00 178.00 176.92 1ug0 h ALA 58 N 2.10 -0.09 -0.67 -0.56 0.00 -1.95 -3.26 119.26 114.82 1ug0 h ALA 58 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 54.91 54.00 1ug0 h ALA 58 Cb 0.70 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.53 1ug0 h ALA 58 CO 0.00 0.55 0.18 1.19 0.00 0.00 0.00 179.25 181.18 1ug0 n PHE 59 N -3.92 2.29 0.43 0.00 3.72 -1.17 -4.34 117.46 114.47 1ug0 n PHE 59 Ca -0.15 -1.02 0.10 0.00 -0.05 0.00 0.00 57.45 56.34 1ug0 n PHE 59 Cb 0.95 -0.62 0.42 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.11 0.90 -0.25 4.37 5.66 -0.54 -2.61 114.28 121.92 1ug0 n THR 60 Ca 0.36 0.24 -0.03 0.00 -3.05 0.00 0.00 64.05 61.57 1ug0 n THR 60 Cb 1.30 -1.10 0.14 0.00 -1.55 0.00 0.00 70.33 69.12 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 1.08 -0.10 1.09 -5.15 -1.85 -3.04 116.94 108.97 1ug0 h PHE 61 Ca 0.00 -0.05 0.01 0.00 -0.20 0.00 0.00 57.97 57.73 1ug0 h PHE 61 Cb 0.32 -0.34 -0.01 0.00 0.22 0.00 0.00 35.95 36.14 1ug0 h PHE 61 CO 0.00 0.79 -0.06 -0.07 -2.00 0.00 0.00 178.31 176.97 1ug0 h LEU 62 N 1.07 -0.23 0.00 2.10 3.38 -1.87 -2.83 115.31 116.93 1ug0 h LEU 62 Ca 0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ug0 h LEU 62 Cb 0.12 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ug0 h LEU 62 CO -0.03 -0.03 0.00 1.41 0.09 0.00 0.00 178.44 179.88 1ug0 n HIS 63 N -3.22 0.00 -1.53 1.13 8.25 -1.20 -4.10 115.22 114.54 1ug0 n HIS 63 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 1ug0 n HIS 63 Cb 0.03 -0.29 -0.10 0.00 1.12 0.00 0.00 29.99 30.75 1ug0 n HIS 63 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1ug0 n ASP 64 N -1.72 1.17 0.00 0.41 8.00 -1.07 -4.80 116.55 118.55 1ug0 n ASP 64 Ca 0.00 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1ug0 n ASP 64 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 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 8.40 0.00 -0.94 -1.24 4.01 -1.26 -3.75 118.16 123.39 1ug0 n LYS 65 Ca 0.51 0.27 -0.38 0.00 -0.51 0.00 0.00 58.31 58.19 1ug0 n LYS 65 Cb 0.33 -1.14 -0.06 0.00 -0.51 0.00 0.00 35.03 33.65 1ug0 n LYS 65 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1ug0 n ASN 66 N -1.30 2.55 0.00 4.39 3.02 -1.26 -4.25 115.26 118.41 1ug0 n ASN 66 Ca 0.00 -2.57 0.00 0.00 -0.03 0.00 0.00 54.58 51.98 1ug0 n ASN 66 Cb 0.00 -0.99 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 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 7.08 0.00 0.00 6.41 2.88 -1.25 -5.07 113.62 123.67 1ug0 n SER 67 Ca 0.46 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1ug0 n SER 67 Cb 0.35 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -2.22 0.00 -0.03 -1.46 1.85 -1.26 -4.97 116.66 108.57 1ug0 n ARG 68 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.68 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 0.71 -0.35 2.89 1.02 -1.26 -4.06 120.64 119.58 1ug0 n GLU 69 Ca 0.00 0.23 0.07 0.00 -0.02 0.00 0.00 57.16 57.44 1ug0 n GLU 69 Cb 0.00 -1.68 0.25 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 0.04 1.12 -0.61 -0.32 3.57 -1.82 0.14 116.94 119.06 1ug0 h PHE 70 Ca -0.43 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 1ug0 h PHE 70 Cb 2.02 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 40.38 1ug0 h PHE 70 CO 0.05 0.44 0.37 -0.07 -2.23 0.00 0.00 178.31 176.87 1ug0 h LEU 71 N 0.97 0.74 -0.16 0.59 -0.00 -1.78 -2.75 115.31 112.92 1ug0 h LEU 71 Ca 0.49 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 58.29 1ug0 h LEU 71 Cb 0.50 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 1ug0 h LEU 71 CO -0.26 0.58 0.03 0.22 -0.00 0.00 0.00 178.44 179.01 1ug0 h TYR 72 N 0.83 0.29 -0.85 1.13 3.20 -1.18 -2.69 116.97 117.69 1ug0 h TYR 72 Ca 0.22 -0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.19 1ug0 h TYR 72 Cb -0.02 -0.08 -0.15 0.00 1.54 0.00 0.00 36.73 38.03 1ug0 h TYR 72 CO -0.02 0.44 -0.33 -0.92 -1.64 0.00 0.00 178.16 175.68 1ug0 h TYR 73 N 0.05 -0.90 -0.32 -3.82 3.20 -0.53 1.12 116.97 115.77 1ug0 h TYR 73 Ca 0.05 0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1ug0 h TYR 73 Cb 0.30 0.52 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1ug0 h TYR 73 CO 0.02 -0.39 0.05 0.00 -1.64 0.00 0.00 178.16 176.19 1ug0 h ARG 74 N -0.05 0.47 0.00 1.82 2.47 -1.45 0.25 114.38 117.89 1ug0 h ARG 74 Ca 0.33 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 1ug0 h ARG 74 Cb 0.59 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1ug0 h ARG 74 CO -0.88 0.46 0.00 -2.13 0.56 0.00 0.00 179.97 177.98 1ug0 n ARG 75 N -4.33 0.00 -0.24 0.04 0.63 0.37 -2.71 116.66 110.42 1ug0 n ARG 75 Ca 0.01 0.27 0.20 0.00 -0.92 0.00 0.00 57.85 57.42 1ug0 n ARG 75 Cb 0.20 -1.21 0.54 0.00 0.45 0.00 0.00 32.46 32.44 1ug0 n ARG 75 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1ug0 h LYS 76 N 0.00 0.34 -0.60 -0.14 1.79 -1.28 0.53 116.57 117.21 1ug0 h LYS 76 Ca 0.00 -0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.62 1ug0 h LYS 76 Cb 0.00 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1ug0 h LYS 76 CO 0.00 0.22 0.78 0.28 -1.08 0.00 0.00 179.45 179.65 1ug0 h VAL 77 N 0.35 0.16 0.20 0.50 2.07 -0.73 1.50 116.25 120.31 1ug0 h VAL 77 Ca 0.47 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.70 1ug0 h VAL 77 Cb 1.25 0.35 0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1ug0 h VAL 77 CO -0.16 0.00 -1.27 0.00 0.02 0.00 0.00 177.57 176.16 1ug0 h ALA 78 N 1.01 -0.10 -0.35 1.67 0.00 0.22 -0.81 119.26 120.90 1ug0 h ALA 78 Ca 0.29 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ug0 h ALA 78 Cb 1.84 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 1ug0 h ALA 78 CO -0.00 0.61 0.22 1.49 0.00 0.00 0.00 179.25 181.57 1ug0 h GLU 79 N -0.07 0.47 -0.22 0.00 4.57 0.20 -2.18 114.58 117.36 1ug0 h GLU 79 Ca -0.23 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 57.73 1ug0 h GLU 79 Cb 1.96 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 30.45 1ug0 h GLU 79 CO 0.21 0.35 -0.60 0.97 -1.18 0.00 0.00 179.01 178.76 1ug0 h ILE 80 N 0.46 1.30 -0.06 2.32 -0.00 -1.06 -3.12 117.51 117.35 1ug0 h ILE 80 Ca 0.13 -1.83 0.01 0.00 -0.00 0.00 0.00 64.86 63.17 1ug0 h ILE 80 Cb -0.01 1.77 -0.02 0.00 -0.00 0.00 0.00 36.82 38.57 1ug0 h ILE 80 CO -0.02 0.58 -0.12 0.03 -0.00 0.00 0.00 178.15 178.61 1ug0 h ARG 81 N 0.54 -0.11 -0.69 2.19 2.47 -0.73 0.33 114.38 118.38 1ug0 h ARG 81 Ca -0.00 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.84 1ug0 h ARG 81 Cb 1.19 0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 29.41 1ug0 h ARG 81 CO 0.12 -0.07 -0.38 -0.22 0.56 0.00 0.00 179.97 179.98 1ug0 h LYS 82 N -0.11 -0.14 -3.13 0.04 3.11 -1.49 -2.60 116.57 112.25 1ug0 h LYS 82 Ca 0.01 0.01 -0.74 0.00 -2.81 0.00 0.00 60.65 57.12 1ug0 h LYS 82 Cb 0.14 0.03 -0.33 0.00 -1.00 0.00 0.00 32.23 31.08 1ug0 h LYS 82 CO -0.11 -0.09 0.17 0.43 -2.81 0.00 0.00 179.45 177.04 1ug0 n SER 83 N -5.43 4.97 0.00 4.20 7.64 -0.72 -4.86 113.62 119.42 1ug0 n SER 83 Ca 0.05 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.71 1ug0 n SER 83 Cb 0.36 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1ug0 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug0 n GLY 84 N 1.95 1.76 0.00 0.23 0.00 0.11 -4.61 105.19 104.63 1ug0 n GLY 84 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 1.61 -0.04 -1.26 -5.08 135.00 130.22 1ug0 n PRO 85 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ug0 n PRO 85 Cb 0.00 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.27 1ug0 n PRO 85 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ug0 n SER 86 N -0.07 0.00 -3.64 3.54 3.41 -1.26 -5.18 113.62 110.42 1ug0 n SER 86 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1ug0 n SER 86 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1ug0 n SER 86 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ug0 s SER 87 N 0.00 -0.44 0.00 4.04 1.04 -1.26 -5.21 113.70 111.87 1ug0 s SER 87 Ca 0.00 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1ug0 s SER 87 Cb 0.00 0.91 0.00 0.00 0.10 0.00 0.00 66.02 67.03 1ug0 s SER 87 CO 0.00 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.69