#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 -1.12 -0.28 1.61 0.01 -1.26 -5.13 113.70 107.53 1ug0 s SER 2 Ca 0.00 -1.52 -0.17 0.00 1.31 0.00 0.00 55.95 55.57 1ug0 s SER 2 Cb 0.00 1.68 0.09 0.00 0.21 0.00 0.00 66.02 68.00 1ug0 s SER 2 CO 0.00 -0.11 0.75 -0.94 0.41 0.00 0.00 173.24 173.35 1ug0 s SER 3 N 1.16 -0.84 0.24 2.44 1.04 -1.26 -5.18 113.70 111.31 1ug0 s SER 3 Ca 0.25 1.37 0.08 0.00 0.48 0.00 0.00 55.95 58.13 1ug0 s SER 3 Cb -0.02 1.35 -0.05 0.00 0.10 0.00 0.00 66.02 67.40 1ug0 s SER 3 CO -0.06 -0.22 -0.11 -0.83 0.98 0.00 0.00 173.24 172.99 1ug0 s GLY 4 N 1.42 1.64 -0.30 7.32 0.00 -1.26 -5.14 107.32 111.00 1ug0 s GLY 4 Ca -0.08 -1.78 -0.18 0.00 0.00 0.00 0.00 44.72 42.67 1ug0 s GLY 4 CO -0.17 -1.81 1.19 -0.45 0.00 0.00 0.00 173.10 171.86 1ug0 s SER 5 N -3.39 -0.23 -0.33 1.64 0.15 -1.26 -5.13 113.70 105.15 1ug0 s SER 5 Ca 0.26 0.32 -0.22 0.00 0.70 0.00 0.00 55.95 57.01 1ug0 s SER 5 Cb 0.01 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 1ug0 s SER 5 CO 0.10 -0.04 0.72 -0.94 1.20 0.00 0.00 173.24 174.28 1ug0 s SER 6 N 2.14 6.56 -0.15 5.45 1.04 -1.26 -4.63 113.70 122.85 1ug0 s SER 6 Ca -0.01 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 56.76 1ug0 s SER 6 Cb -0.02 -2.37 0.04 0.00 0.10 0.00 0.00 66.02 63.76 1ug0 s SER 6 CO -0.16 -0.61 0.21 0.61 0.98 0.00 0.00 173.24 174.27 1ug0 n GLY 7 N 4.41 -5.35 3.35 7.32 0.00 -1.26 -5.08 105.19 108.59 1ug0 n GLY 7 Ca 0.02 1.51 -0.15 0.00 0.00 0.00 0.00 46.02 47.40 1ug0 n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ug0 s GLU 8 N -0.68 0.79 0.66 1.61 2.12 -1.26 -5.00 118.70 116.93 1ug0 s GLU 8 Ca -0.24 0.05 0.27 0.00 0.36 0.00 0.00 54.97 55.41 1ug0 s GLU 8 Cb 0.02 0.36 1.45 0.00 0.26 0.00 0.00 34.13 36.22 1ug0 s GLU 8 CO 0.65 -0.22 1.82 0.93 -0.54 0.00 0.00 175.26 177.91 1ug0 h GLU 9 N 3.73 0.00 0.00 4.30 5.08 -2.00 0.51 114.58 126.20 1ug0 h GLU 9 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ug0 h GLU 9 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ug0 h GLU 9 CO 0.38 0.00 0.10 -0.44 -1.00 0.00 0.00 179.01 178.04 1ug0 h ASP 10 N 0.00 0.00 -0.40 1.42 3.32 -2.00 -1.55 116.42 117.21 1ug0 h ASP 10 Ca 0.02 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.19 1ug0 h ASP 10 Cb 0.86 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1ug0 h ASP 10 CO -0.00 0.00 0.62 0.10 -1.72 0.00 0.00 179.24 178.24 1ug0 h TYR 11 N 0.00 0.00 0.00 4.55 -0.00 -0.30 1.50 116.97 122.72 1ug0 h TYR 11 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.64 1ug0 h TYR 11 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.91 1ug0 h TYR 11 CO 0.00 0.00 -1.56 -0.85 -0.00 0.00 0.00 178.16 175.75 1ug0 n GLU 12 N -3.32 0.63 0.14 0.10 0.28 -0.58 -3.94 120.64 113.95 1ug0 n GLU 12 Ca 0.08 0.04 0.10 0.00 -0.16 0.00 0.00 57.16 57.21 1ug0 n GLU 12 Cb 0.78 -1.70 0.50 0.00 1.43 0.00 0.00 31.44 32.45 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 -2.62 0.12 0.10 3.44 -0.00 0.51 0.35 117.38 119.28 1ug0 n GLN 13 Ca -0.07 0.61 -0.03 0.00 -0.00 0.00 0.00 57.00 57.51 1ug0 n GLN 13 Cb 0.70 -1.89 -0.05 0.00 -0.00 0.00 0.00 30.24 29.00 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 0.00 0.00 2.61 4.06 -1.66 -2.99 115.95 117.98 1ug0 h TRP 14 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ug0 h TRP 14 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 1ug0 h TRP 14 CO 0.00 0.77 0.00 -0.07 -3.56 0.00 0.00 178.44 175.58 1ug0 h LEU 15 N 0.00 0.00 -0.99 -4.49 3.38 -0.34 -0.57 115.31 112.30 1ug0 h LEU 15 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1ug0 h LEU 15 Cb 1.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 1ug0 h LEU 15 CO 0.10 0.00 -0.35 -0.33 0.09 0.00 0.00 178.44 177.95 1ug0 h GLU 16 N 0.00 0.28 -3.78 1.13 5.08 -1.59 -3.35 114.58 112.34 1ug0 h GLU 16 Ca 0.00 -0.12 -0.71 0.00 -1.00 0.00 0.00 59.36 57.53 1ug0 h GLU 16 Cb 0.11 -0.01 -0.34 0.00 0.50 0.00 0.00 28.75 29.02 1ug0 h GLU 16 CO 0.00 0.60 -0.33 0.42 -1.00 0.00 0.00 179.01 178.70 1ug0 s ILE 17 N -4.27 3.94 1.16 3.13 1.09 -0.22 -5.08 121.20 120.95 1ug0 s ILE 17 Ca -0.05 -2.70 -0.14 0.00 -1.10 0.00 0.00 60.65 56.66 1ug0 s ILE 17 Cb 0.14 -3.56 0.24 0.00 -1.06 0.00 0.00 42.46 38.21 1ug0 s ILE 17 CO 0.77 -0.87 0.76 1.17 -0.10 0.00 0.00 174.94 176.67 1ug0 n LYS 18 N 3.79 -2.19 -2.55 2.79 3.00 -1.26 -4.98 118.16 116.76 1ug0 n LYS 18 Ca 0.06 -0.61 -0.28 0.00 -0.00 0.00 0.00 58.31 57.48 1ug0 n LYS 18 Cb 0.40 -2.05 0.00 0.00 0.00 0.00 0.00 35.03 33.38 1ug0 n LYS 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1ug0 s VAL 19 N -2.37 4.76 0.10 3.15 -7.23 -1.26 -5.10 120.40 112.45 1ug0 s VAL 19 Ca 0.65 0.23 0.07 0.00 -1.81 0.00 0.00 61.98 61.12 1ug0 s VAL 19 Cb -0.22 -3.82 -0.03 0.00 0.56 0.00 0.00 36.38 32.86 1ug0 s VAL 19 CO 0.65 -0.83 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.00 1ug0 s SER 20 N -4.13 2.10 1.01 4.85 0.01 -1.26 -4.14 113.70 112.13 1ug0 s SER 20 Ca 0.49 -0.70 -0.15 0.00 1.31 0.00 0.00 55.95 56.89 1ug0 s SER 20 Cb -0.10 -0.09 0.20 0.00 0.21 0.00 0.00 66.02 66.23 1ug0 s SER 20 CO 0.46 -0.05 1.18 -2.16 0.41 0.00 0.00 173.24 173.08 1ug0 s PRO 21 N -2.08 0.33 0.00 12.44 0.04 -1.26 -4.26 135.00 140.20 1ug0 s PRO 21 Ca 0.04 -0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.21 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 0.03 -2.69 1.36 -0.35 0.04 0.00 0.00 177.00 175.39 1ug0 n PRO 22 N -4.05 0.75 0.20 0.56 -0.04 -1.26 -2.77 135.00 128.40 1ug0 n PRO 22 Ca 0.11 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 1ug0 n PRO 22 Cb 0.59 -1.29 0.41 0.00 -0.04 0.00 0.00 33.50 33.18 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 0.00 0.00 0.54 5.08 -1.95 -2.74 114.58 115.51 1ug0 h GLU 23 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ug0 h GLU 23 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ug0 h GLU 23 CO 0.00 0.00 -0.14 0.41 -1.00 0.00 0.00 179.01 178.28 1ug0 n GLY 24 N 0.67 -1.54 0.29 -3.84 0.00 -1.11 -3.43 105.19 96.22 1ug0 n GLY 24 Ca 0.03 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 2.74 1.15 -0.07 4.61 0.00 -1.71 0.46 119.26 126.44 1ug0 h ALA 25 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1ug0 h ALA 25 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ug0 h ALA 25 CO 0.00 -0.15 -0.75 1.49 0.00 0.00 0.00 179.25 179.84 1ug0 h GLU 26 N 0.00 0.41 0.00 0.00 4.81 -1.78 -3.20 114.58 114.82 1ug0 h GLU 26 Ca 0.00 -0.34 -0.17 0.00 -0.13 0.00 0.00 59.36 58.72 1ug0 h GLU 26 Cb 0.33 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1ug0 h GLU 26 CO 0.00 0.99 -1.33 1.15 -0.73 0.00 0.00 179.01 179.09 1ug0 h THR 27 N 0.28 0.56 -1.81 0.32 2.02 -0.47 -3.35 112.91 110.46 1ug0 h THR 27 Ca -0.03 -2.06 0.52 0.00 0.77 0.00 0.00 66.41 65.61 1ug0 h THR 27 Cb 1.33 2.10 -0.07 0.00 -1.74 0.00 0.00 68.15 69.76 1ug0 h THR 27 CO 0.13 0.32 1.34 -2.11 0.37 0.00 0.00 175.52 175.57 1ug0 n ARG 28 N -2.94 0.00 0.16 6.66 -4.01 0.37 0.13 116.66 117.04 1ug0 n ARG 28 Ca -0.09 1.02 -0.12 0.00 -1.04 0.00 0.00 57.85 57.63 1ug0 n ARG 28 Cb 0.84 -2.39 -0.07 0.00 -3.04 0.00 0.00 32.46 27.80 1ug0 n ARG 28 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ug0 h ARG 29 N 0.00 -0.43 -0.19 2.89 3.08 -1.73 0.76 114.38 118.75 1ug0 h ARG 29 Ca 0.86 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.90 1ug0 h ARG 29 Cb 3.54 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 33.67 1ug0 h ARG 29 CO -0.01 -0.10 -0.05 -0.24 -1.07 0.00 0.00 179.97 178.50 1ug0 h VAL 30 N -0.88 1.15 -0.28 2.04 3.04 0.88 -2.22 116.25 119.99 1ug0 h VAL 30 Ca -0.05 -0.61 -0.05 0.00 -1.01 0.00 0.00 66.70 64.99 1ug0 h VAL 30 Cb 0.53 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1ug0 h VAL 30 CO 0.08 0.20 -0.00 0.40 -1.01 0.00 0.00 177.57 177.23 1ug0 h ILE 31 N 0.28 1.26 -0.98 3.17 2.04 -0.36 -2.85 117.51 120.06 1ug0 h ILE 31 Ca 0.06 -0.94 0.33 0.00 1.00 0.00 0.00 64.86 65.31 1ug0 h ILE 31 Cb 0.27 1.32 -0.17 0.00 -0.74 0.00 0.00 36.82 37.49 1ug0 h ILE 31 CO 0.01 0.30 0.32 -0.33 0.00 0.00 0.00 178.15 178.45 1ug0 h GLU 32 N 0.28 0.08 -0.49 2.37 5.08 -0.19 1.64 114.58 123.35 1ug0 h GLU 32 Ca 0.08 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1ug0 h GLU 32 Cb 0.43 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1ug0 h GLU 32 CO 0.02 0.05 0.11 0.87 -1.00 0.00 0.00 179.01 179.06 1ug0 h LYS 33 N 0.08 0.79 0.02 2.33 1.79 -1.51 0.15 116.57 120.20 1ug0 h LYS 33 Ca 0.70 -0.19 0.02 0.00 -2.18 0.00 0.00 60.65 59.00 1ug0 h LYS 33 Cb 1.64 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 32.16 1ug0 h LYS 33 CO -0.78 0.77 -0.13 1.25 -1.08 0.00 0.00 179.45 179.47 1ug0 h LEU 34 N 0.67 -0.38 0.03 2.94 6.46 0.24 1.67 115.31 126.93 1ug0 h LEU 34 Ca 0.15 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1ug0 h LEU 34 Cb 0.34 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1ug0 h LEU 34 CO 0.00 -0.19 -0.06 0.00 -0.62 0.00 0.00 178.44 177.58 1ug0 h ALA 35 N 0.71 -0.08 -0.24 1.25 0.00 -0.59 1.10 119.26 121.41 1ug0 h ALA 35 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ug0 h ALA 35 Cb 0.28 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ug0 h ALA 35 CO -0.12 -0.56 0.08 -0.09 0.00 0.00 0.00 179.25 178.56 1ug0 h ARG 36 N -0.12 0.33 -0.02 0.00 2.43 -0.29 0.28 114.38 116.99 1ug0 h ARG 36 Ca 0.01 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1ug0 h ARG 36 Cb 0.13 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1ug0 h ARG 36 CO -0.04 0.29 -0.36 0.35 -1.51 0.00 0.00 179.97 178.69 1ug0 h PHE 37 N 0.33 0.41 0.00 2.20 3.57 0.35 -2.57 116.94 121.23 1ug0 h PHE 37 Ca 0.08 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1ug0 h PHE 37 Cb 0.09 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1ug0 h PHE 37 CO 0.00 0.99 0.00 0.28 -2.23 0.00 0.00 178.31 177.35 1ug0 n VAL 38 N -4.41 0.00 -0.39 1.41 0.31 0.37 -2.79 118.33 112.83 1ug0 n VAL 38 Ca -0.09 1.09 0.36 0.00 -0.01 0.00 0.00 64.34 65.69 1ug0 n VAL 38 Cb 0.55 -2.07 0.63 0.00 -0.91 0.00 0.00 33.84 32.04 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 -1.89 1.19 0.04 3.52 0.00 0.97 0.10 120.51 124.43 1ug0 n ALA 39 Ca 0.00 0.93 -0.06 0.00 0.00 0.00 0.00 53.44 54.31 1ug0 n ALA 39 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.27 0.00 0.00 4.39 -1.40 -3.36 114.58 113.95 1ug0 h GLU 40 Ca 0.85 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.57 1ug0 h GLU 40 Cb 2.52 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 31.23 1ug0 h GLU 40 CO -0.60 -0.18 -0.16 0.78 -1.16 0.00 0.00 179.01 177.69 1ug0 h GLY 41 N -0.28 0.00 0.00 -3.84 0.00 -0.39 -3.47 103.07 95.09 1ug0 h GLY 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ug0 h GLY 41 CO -0.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.04 1ug0 n GLY 42 N 1.76 -0.10 0.11 4.60 0.00 0.29 -4.90 105.19 106.95 1ug0 n GLY 42 Ca -0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 0.03 -0.66 1.61 0.13 -1.96 -3.10 132.00 128.04 1ug0 h PRO 43 Ca 0.00 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 65.24 1ug0 h PRO 43 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 1ug0 h PRO 43 CO 0.00 0.77 0.45 1.49 -0.23 0.00 0.00 178.00 180.48 1ug0 h GLU 44 N 0.02 0.31 0.12 0.86 4.81 -1.94 -1.07 114.58 117.69 1ug0 h GLU 44 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1ug0 h GLU 44 Cb 1.34 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1ug0 h GLU 44 CO 0.10 0.20 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.46 1ug0 h LEU 45 N 0.32 -0.13 -1.93 1.64 -0.00 -1.86 -1.21 115.31 112.13 1ug0 h LEU 45 Ca 0.32 -0.41 0.21 0.00 -0.00 0.00 0.00 57.88 58.00 1ug0 h LEU 45 Cb 0.80 0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.47 1ug0 h LEU 45 CO -0.08 0.39 0.60 -0.08 -0.00 0.00 0.00 178.44 179.27 1ug0 h GLU 46 N -0.71 0.00 0.01 1.13 4.22 -1.32 0.96 114.58 118.87 1ug0 h GLU 46 Ca -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 1ug0 h GLU 46 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ug0 h GLU 46 CO 0.03 0.00 -0.10 0.87 -2.18 0.00 0.00 179.01 177.63 1ug0 h LYS 47 N 0.00 0.04 -0.82 1.92 1.57 -1.09 -3.00 116.57 115.19 1ug0 h LYS 47 Ca 0.34 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1ug0 h LYS 47 Cb 1.54 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.83 1ug0 h LYS 47 CO -0.00 0.99 0.51 0.28 -0.57 0.00 0.00 179.45 180.66 1ug0 h VAL 48 N -0.88 1.22 -0.35 0.50 2.07 0.47 -2.28 116.25 116.99 1ug0 h VAL 48 Ca -0.02 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.12 1ug0 h VAL 48 Cb 1.04 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1ug0 h VAL 48 CO 0.02 0.22 -0.05 0.00 0.02 0.00 0.00 177.57 177.78 1ug0 h ALA 49 N 1.28 0.27 -0.39 1.67 0.00 0.71 0.32 119.26 123.13 1ug0 h ALA 49 Ca 0.30 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.44 1ug0 h ALA 49 Cb -0.08 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ug0 h ALA 49 CO -0.06 -0.43 0.71 0.52 0.00 0.00 0.00 179.25 179.99 1ug0 h MET 50 N 0.04 0.00 0.02 0.00 2.07 -1.26 0.99 114.93 116.79 1ug0 h MET 50 Ca 0.17 0.00 -0.36 0.00 -2.07 0.00 0.00 59.70 57.44 1ug0 h MET 50 Cb 0.25 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 29.92 1ug0 h MET 50 CO -0.33 0.00 -2.19 0.39 1.07 0.00 0.00 176.91 175.85 1ug0 n GLU 51 N -3.16 0.68 -0.16 1.72 -0.58 0.92 -2.61 120.64 117.45 1ug0 n GLU 51 Ca 0.08 0.14 -0.10 0.00 -0.42 0.00 0.00 57.16 56.85 1ug0 n GLU 51 Cb 0.86 -1.61 -0.00 0.00 -0.57 0.00 0.00 31.44 30.11 1ug0 n GLU 51 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1ug0 h ASP 52 N 0.01 0.85 -0.51 1.62 1.82 0.30 -2.98 116.42 117.53 1ug0 h ASP 52 Ca -0.48 -0.33 -0.25 0.00 -0.39 0.00 0.00 57.03 55.59 1ug0 h ASP 52 Cb 2.08 -0.23 -0.15 0.00 0.68 0.00 0.00 39.33 41.71 1ug0 h ASP 52 CO 0.02 0.98 0.11 -1.22 -1.61 0.00 0.00 179.24 177.51 1ug0 n TYR 53 N -4.31 1.59 -0.02 0.28 4.01 0.15 -4.71 117.16 114.15 1ug0 n TYR 53 Ca 0.00 -1.60 -0.10 0.00 -0.16 0.00 0.00 57.90 56.04 1ug0 n TYR 53 Cb 0.34 -0.59 -0.04 0.00 -0.31 0.00 0.00 39.34 38.73 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 -0.37 -3.12 -0.72 3.64 -1.34 -3.10 116.57 112.68 1ug0 h LYS 54 Ca 0.31 0.02 -0.70 0.00 -1.27 0.00 0.00 60.65 59.01 1ug0 h LYS 54 Cb 1.95 0.08 -0.36 0.00 -0.41 0.00 0.00 32.23 33.50 1ug0 h LYS 54 CO 0.56 -0.24 -0.07 -0.25 -2.27 0.00 0.00 179.45 177.18 1ug0 n ASP 55 N -5.41 4.37 -3.77 4.20 8.00 -1.26 -5.00 116.55 117.67 1ug0 n ASP 55 Ca -0.02 -3.21 -0.23 0.00 0.71 0.00 0.00 54.79 52.04 1ug0 n ASP 55 Cb 0.33 -1.02 -0.18 0.00 -0.02 0.00 0.00 41.12 40.24 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 -0.66 1.63 0.00 -2.24 3.84 -1.17 -4.99 114.94 111.34 1ug0 s ASN 56 Ca 0.30 -0.10 0.23 0.00 0.21 0.00 0.00 52.86 53.49 1ug0 s ASN 56 Cb -0.03 -0.46 1.26 0.00 -0.55 0.00 0.00 41.25 41.48 1ug0 s ASN 56 CO -0.09 -0.19 1.76 -0.81 -2.79 0.00 0.00 177.10 174.98 1ug0 n PRO 57 N 5.14 0.50 -0.13 0.43 -0.04 -1.26 -2.83 135.00 136.81 1ug0 n PRO 57 Ca -0.07 0.04 -0.26 0.00 -0.04 0.00 0.00 63.50 63.17 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 -1.17 1.27 -0.10 0.55 0.00 -1.26 -4.38 120.51 115.43 1ug0 n ALA 58 Ca 0.14 -1.10 -0.11 0.00 0.00 0.00 0.00 53.44 52.38 1ug0 n ALA 58 Cb 0.14 0.04 0.06 0.00 0.00 0.00 0.00 19.45 19.69 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 -3.90 1.24 0.40 0.00 3.01 -1.18 -4.26 117.46 112.77 1ug0 n PHE 59 Ca -0.51 -1.21 0.09 0.00 1.01 0.00 0.00 57.45 56.82 1ug0 n PHE 59 Cb 0.92 -0.61 0.38 0.00 -0.01 0.00 0.00 39.48 40.16 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 0.00 1.01 -0.00 4.37 -2.24 -1.13 -2.22 114.28 114.07 1ug0 n THR 60 Ca 0.24 0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 62.23 1ug0 n THR 60 Cb 0.88 -1.15 0.07 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.69 -0.07 4.78 -0.00 -1.90 -3.29 116.94 117.15 1ug0 h PHE 61 Ca 0.00 -0.23 0.01 0.00 -0.00 0.00 0.00 57.97 57.75 1ug0 h PHE 61 Cb 0.26 -0.14 -0.01 0.00 -0.00 0.00 0.00 35.95 36.07 1ug0 h PHE 61 CO 0.00 0.95 -0.04 1.28 -0.00 0.00 0.00 178.31 180.50 1ug0 n LEU 62 N -3.98 -0.07 -0.30 2.10 4.77 -0.94 -0.37 117.00 118.21 1ug0 n LEU 62 Ca -0.03 1.03 -0.04 0.00 -0.03 0.00 0.00 56.01 56.94 1ug0 n LEU 62 Cb 0.57 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1ug0 n LEU 62 CO 0.46 -0.56 0.59 0.45 -1.33 0.00 0.00 177.39 177.01 1ug0 h HIS 63 N 0.00 -1.14 -2.94 -1.77 3.86 -1.77 -3.39 115.15 107.99 1ug0 h HIS 63 Ca 0.01 0.09 -0.58 0.00 -1.16 0.00 0.00 60.37 58.73 1ug0 h HIS 63 Cb 0.03 0.61 0.11 0.00 1.06 0.00 0.00 27.41 29.23 1ug0 h HIS 63 CO -0.93 -0.40 0.30 -0.25 0.86 0.00 0.00 177.93 177.52 1ug0 n ASP 64 N -5.43 1.95 -2.75 2.45 8.00 0.50 -4.92 116.55 116.35 1ug0 n ASP 64 Ca 0.06 1.17 -0.04 0.00 0.71 0.00 0.00 54.79 56.69 1ug0 n ASP 64 Cb 0.37 -1.39 0.04 0.00 -0.02 0.00 0.00 41.12 40.12 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 0.55 1.69 0.00 -1.24 5.02 -1.26 -4.60 118.16 118.32 1ug0 n LYS 65 Ca 0.07 -3.49 0.00 0.00 -2.02 0.00 0.00 58.31 52.87 1ug0 n LYS 65 Cb 0.35 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1ug0 n LYS 65 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ug0 n ASN 66 N -0.46 0.00 0.00 4.39 2.85 -1.26 -5.02 115.26 115.76 1ug0 n ASN 66 Ca 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1ug0 n ASN 66 Cb 0.81 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.83 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ug0 n SER 67 N 0.00 0.00 0.00 1.20 2.88 -1.26 -5.07 113.62 111.37 1ug0 n SER 67 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ug0 n SER 67 Cb 0.00 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 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 -2.44 0.00 -0.06 -1.46 0.00 -1.26 -4.48 116.66 106.96 1ug0 n ARG 68 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 1ug0 n ARG 68 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 32.46 32.33 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 0.01 0.00 2.89 3.07 -1.92 -2.97 114.58 115.66 1ug0 h GLU 69 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 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 0.99 0.00 0.35 -1.40 0.00 0.00 179.01 178.95 1ug0 h PHE 70 N -0.95 0.00 0.01 4.33 3.04 -1.81 -1.06 116.94 120.48 1ug0 h PHE 70 Ca -0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1ug0 h PHE 70 Cb 1.01 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.52 1ug0 h PHE 70 CO 0.27 0.00 -0.00 -0.07 -2.02 0.00 0.00 178.31 176.49 1ug0 h LEU 71 N 0.00 -0.01 -1.29 0.59 3.38 -1.91 -3.22 115.31 112.85 1ug0 h LEU 71 Ca 0.00 -0.50 0.06 0.00 0.09 0.00 0.00 57.88 57.53 1ug0 h LEU 71 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1ug0 h LEU 71 CO 0.00 0.74 0.51 0.22 0.09 0.00 0.00 178.44 180.01 1ug0 h TYR 72 N -1.00 0.87 -0.10 1.13 3.20 -1.27 0.99 116.97 120.80 1ug0 h TYR 72 Ca -0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1ug0 h TYR 72 Cb 0.51 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 1ug0 h TYR 72 CO 0.14 0.47 -0.19 -0.92 -1.64 0.00 0.00 178.16 176.02 1ug0 h TYR 73 N 0.87 -0.51 0.00 -3.82 3.20 -1.32 0.24 116.97 115.63 1ug0 h TYR 73 Ca 0.33 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 1ug0 h TYR 73 Cb 0.20 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1ug0 h TYR 73 CO -0.00 -0.27 -0.04 0.00 -1.64 0.00 0.00 178.16 176.21 1ug0 h ARG 74 N -0.26 0.00 0.00 1.82 3.08 -1.44 -2.79 114.38 114.79 1ug0 h ARG 74 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ug0 h ARG 74 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1ug0 h ARG 74 CO -0.25 0.04 0.00 0.54 -1.07 0.00 0.00 179.97 179.23 1ug0 n ARG 75 N -3.13 0.00 0.02 0.04 5.12 0.30 -3.34 116.66 115.67 1ug0 n ARG 75 Ca 0.02 0.13 0.22 0.00 -1.93 0.00 0.00 57.85 56.29 1ug0 n ARG 75 Cb 0.43 -0.92 0.66 0.00 -1.16 0.00 0.00 32.46 31.46 1ug0 n ARG 75 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1ug0 h LYS 76 N 0.00 0.00 -0.54 5.56 1.79 -1.16 0.73 116.57 122.96 1ug0 h LYS 76 Ca 0.00 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.63 1ug0 h LYS 76 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1ug0 h LYS 76 CO 0.00 0.00 0.55 0.28 -1.08 0.00 0.00 179.45 179.20 1ug0 h VAL 77 N 0.00 0.35 0.02 0.50 2.07 -1.49 1.55 116.25 119.25 1ug0 h VAL 77 Ca 0.27 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.57 1ug0 h VAL 77 Cb 1.61 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1ug0 h VAL 77 CO -0.00 0.00 -1.07 0.00 0.02 0.00 0.00 177.57 176.52 1ug0 h ALA 78 N 1.40 0.33 0.19 1.67 0.00 0.42 -1.67 119.26 121.60 1ug0 h ALA 78 Ca 0.25 -0.93 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1ug0 h ALA 78 Cb 1.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ug0 h ALA 78 CO -0.00 1.22 -0.09 1.49 0.00 0.00 0.00 179.25 181.87 1ug0 h GLU 79 N 0.01 -0.24 -0.93 0.00 4.57 0.20 -3.00 114.58 115.18 1ug0 h GLU 79 Ca -0.04 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1ug0 h GLU 79 Cb 1.81 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 30.41 1ug0 h GLU 79 CO 0.14 0.13 0.54 0.97 -1.18 0.00 0.00 179.01 179.62 1ug0 h ILE 80 N -0.92 1.26 -0.04 2.32 -0.00 -0.85 -3.12 117.51 116.16 1ug0 h ILE 80 Ca -0.03 -0.59 0.01 0.00 -0.00 0.00 0.00 64.86 64.25 1ug0 h ILE 80 Cb 0.49 -0.04 -0.01 0.00 -0.00 0.00 0.00 36.82 37.26 1ug0 h ILE 80 CO 0.04 0.28 -0.08 0.03 -0.00 0.00 0.00 178.15 178.42 1ug0 h ARG 81 N 1.29 -0.07 -6.65 2.19 2.47 -1.36 -3.39 114.38 108.85 1ug0 h ARG 81 Ca 0.33 0.01 -0.52 0.00 -1.26 0.00 0.00 59.98 58.54 1ug0 h ARG 81 Cb -0.03 0.02 0.06 0.00 -1.65 0.00 0.00 29.97 28.36 1ug0 h ARG 81 CO -0.06 -0.05 1.00 0.15 0.56 0.00 0.00 179.97 181.57 1ug0 s LYS 82 N -3.40 4.13 0.01 0.04 3.01 -1.13 -4.50 119.74 117.90 1ug0 s LYS 82 Ca -0.02 2.58 0.00 0.00 -1.01 0.00 0.00 55.97 57.52 1ug0 s LYS 82 Cb 0.01 -3.08 0.00 0.00 -1.01 0.00 0.00 37.83 33.75 1ug0 s LYS 82 CO 0.09 -0.74 0.00 0.45 0.51 0.00 0.00 175.35 175.66 1ug0 n SER 83 N 4.00 -0.10 0.00 2.83 2.88 -1.26 -4.90 113.62 117.07 1ug0 n SER 83 Ca 0.16 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1ug0 n SER 83 Cb 0.36 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 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 -1.16 0.20 3.77 0.46 0.00 -1.26 -5.18 105.19 102.02 1ug0 n GLY 84 Ca 0.00 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 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 0.20 0.08 1.61 0.04 -1.26 -4.96 135.00 130.71 1ug0 s PRO 85 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1ug0 s PRO 85 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1ug0 s PRO 85 CO 0.00 -2.77 0.00 0.45 0.04 0.00 0.00 177.00 174.72 1ug0 n SER 86 N -4.09 -0.74 -3.69 6.66 2.88 -1.26 -5.13 113.62 108.26 1ug0 n SER 86 Ca 0.12 0.38 -0.10 0.00 -1.33 0.00 0.00 58.87 57.94 1ug0 n SER 86 Cb 0.59 0.96 -0.11 0.00 -0.75 0.00 0.00 64.21 64.90 1ug0 n SER 86 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ug0 s SER 87 N -2.00 -0.43 0.00 -3.46 0.15 -1.26 -5.35 113.70 101.34 1ug0 s SER 87 Ca 0.00 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1ug0 s SER 87 Cb 0.00 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 1ug0 s SER 87 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85