#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tuv s LEU 2 N 0.00 4.57 -0.12 -0.89 1.43 -0.31 -4.81 118.68 118.54 1tuv s LEU 2 Ca 0.00 1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 54.61 1tuv s LEU 2 Cb 0.00 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 1tuv s LEU 2 CO 0.00 0.22 -0.07 -0.89 0.23 0.00 0.00 176.35 175.84 1tuv s THR 3 N -1.15 3.65 -0.15 5.49 2.01 -0.77 -1.59 115.64 123.13 1tuv s THR 3 Ca 0.34 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.85 1tuv s THR 3 Cb -0.22 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 1tuv s THR 3 CO 0.24 0.53 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.94 1tuv s VAL 4 N 0.03 3.58 -0.19 3.82 1.01 -0.06 0.10 120.40 128.69 1tuv s VAL 4 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1tuv s VAL 4 Cb -0.14 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1tuv s VAL 4 CO 0.03 0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 174.82 1tuv s ILE 5 N 0.44 2.18 -0.14 2.22 1.01 -0.55 -0.92 121.20 125.44 1tuv s ILE 5 Ca -0.06 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1tuv s ILE 5 Cb -0.15 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1tuv s ILE 5 CO 0.04 0.51 -0.20 0.00 0.00 0.00 0.00 174.94 175.28 1tuv s ALA 6 N 1.30 2.15 -0.26 9.38 0.00 -0.37 -0.52 121.76 133.45 1tuv s ALA 6 Ca 0.05 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 1tuv s ALA 6 Cb -0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1tuv s ALA 6 CO -0.12 -0.10 0.24 -2.00 0.00 0.00 0.00 175.76 173.79 1tuv s GLU 7 N 0.94 4.02 -0.34 0.00 2.12 0.38 -0.00 118.70 125.82 1tuv s GLU 7 Ca -0.05 -0.18 -0.12 0.00 0.36 0.00 0.00 54.97 54.99 1tuv s GLU 7 Cb -0.15 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 1tuv s GLU 7 CO -0.04 -0.12 0.21 0.42 -0.54 0.00 0.00 175.26 175.19 1tuv s ILE 8 N 1.59 4.98 -0.20 -3.70 1.01 0.64 -0.63 121.20 124.88 1tuv s ILE 8 Ca 0.10 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 1tuv s ILE 8 Cb -0.15 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1tuv s ILE 8 CO 0.09 -0.02 0.51 -0.60 0.00 0.00 0.00 174.94 174.91 1tuv s ARG 9 N 1.67 4.19 0.23 2.79 3.52 0.24 -1.13 118.95 130.46 1tuv s ARG 9 Ca 0.05 0.39 0.05 0.00 -0.13 0.00 0.00 55.73 56.09 1tuv s ARG 9 Cb -0.17 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.62 1tuv s ARG 9 CO 0.09 -0.14 0.29 0.95 -0.81 0.00 0.00 175.30 175.68 1tuv s THR 10 N 1.61 5.00 0.25 4.11 -4.23 -0.40 -0.30 115.64 121.68 1tuv s THR 10 Ca 0.23 -1.07 -0.30 0.00 -1.18 0.00 0.00 61.69 59.37 1tuv s THR 10 Cb -0.15 -3.69 -0.10 0.00 1.34 0.00 0.00 72.50 69.89 1tuv s THR 10 CO 0.09 -0.29 1.51 -0.13 -0.54 0.00 0.00 174.62 175.27 1tuv s ARG 11 N -3.80 4.21 0.42 3.99 0.52 -0.16 -4.76 118.95 119.37 1tuv s ARG 11 Ca 0.34 2.40 -0.25 0.00 -0.52 0.00 0.00 55.73 57.70 1tuv s ARG 11 Cb -0.09 -3.09 -0.10 0.00 0.52 0.00 0.00 34.95 32.19 1tuv s ARG 11 CO 0.27 -0.52 1.15 -2.30 0.02 0.00 0.00 175.30 173.92 1tuv n PRO 12 N 2.60 1.63 0.00 3.54 -0.02 -1.26 -4.56 135.00 136.94 1tuv n PRO 12 Ca 0.09 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1tuv n PRO 12 Cb 0.39 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1tuv n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tuv n GLY 13 N 0.99 -0.03 3.77 -1.23 0.00 -1.26 -4.88 105.19 102.56 1tuv n GLY 13 Ca 0.08 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1tuv n GLY 13 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tuv n GLN 14 N -0.27 -4.03 -2.76 1.61 3.00 -1.26 -2.08 117.38 111.60 1tuv n GLN 14 Ca 0.00 0.50 -0.16 0.00 -0.01 0.00 0.00 57.00 57.32 1tuv n GLN 14 Cb 0.00 -5.28 -0.03 0.00 0.00 0.00 0.00 30.24 24.93 1tuv n GLN 14 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1tuv n HIS 15 N -4.31 -0.96 -0.19 1.08 1.44 -1.26 -4.85 115.22 106.16 1tuv n HIS 15 Ca 0.03 0.26 -0.08 0.00 -2.01 0.00 0.00 57.72 55.91 1tuv n HIS 15 Cb 0.52 -0.96 0.01 0.00 0.12 0.00 0.00 29.99 29.68 1tuv n HIS 15 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1tuv h HIS 16 N -0.33 0.86 -0.53 -1.40 3.86 -1.67 -0.98 115.15 114.96 1tuv h HIS 16 Ca -0.22 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 58.78 1tuv h HIS 16 Cb 0.79 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1tuv h HIS 16 CO 0.50 0.74 -0.12 -0.09 0.86 0.00 0.00 177.93 179.83 1tuv h ARG 17 N 0.73 1.01 -0.53 2.45 1.12 -1.81 -2.25 114.38 115.10 1tuv h ARG 17 Ca 0.17 -0.38 -0.07 0.00 -1.11 0.00 0.00 59.98 58.59 1tuv h ARG 17 Cb 0.29 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.16 1tuv h ARG 17 CO -0.00 1.06 0.05 0.37 -3.11 0.00 0.00 179.97 178.34 1tuv h GLN 18 N 0.90 0.86 -0.90 0.20 5.75 -1.92 -1.33 115.11 118.67 1tuv h GLN 18 Ca 0.14 -0.22 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1tuv h GLN 18 Cb 0.68 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 29.06 1tuv h GLN 18 CO 0.05 0.83 0.57 0.00 -2.65 0.00 0.00 178.83 177.63 1tuv h ALA 19 N 1.24 1.21 -0.18 3.38 0.00 -0.85 0.14 119.26 124.20 1tuv h ALA 19 Ca 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1tuv h ALA 19 Cb 0.41 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1tuv h ALA 19 CO 0.01 0.38 -0.09 0.28 0.00 0.00 0.00 179.25 179.83 1tuv h VAL 20 N 1.07 1.31 -0.83 0.00 2.07 -0.84 -1.82 116.25 117.21 1tuv h VAL 20 Ca 0.37 -1.14 0.08 0.00 0.82 0.00 0.00 66.70 66.83 1tuv h VAL 20 Cb 0.09 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 1tuv h VAL 20 CO -0.15 0.34 0.50 -0.07 0.02 0.00 0.00 177.57 178.21 1tuv h LEU 21 N 0.07 0.75 -1.04 2.57 3.38 -0.88 -0.10 115.31 120.06 1tuv h LEU 21 Ca 0.04 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1tuv h LEU 21 Cb 0.57 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1tuv h LEU 21 CO 0.03 0.46 0.25 0.44 0.09 0.00 0.00 178.44 179.70 1tuv h ASP 22 N 0.87 0.85 -0.64 -0.43 3.32 -0.52 0.11 116.42 119.99 1tuv h ASP 22 Ca 0.38 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1tuv h ASP 22 Cb 0.26 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1tuv h ASP 22 CO -0.21 0.77 0.16 1.56 -1.72 0.00 0.00 179.24 179.80 1tuv h GLN 23 N 0.91 1.04 -0.59 3.56 1.08 -0.56 -2.64 115.11 117.92 1tuv h GLN 23 Ca 0.21 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1tuv h GLN 23 Cb 0.19 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1tuv h GLN 23 CO -0.02 0.92 0.14 0.74 -0.95 0.00 0.00 178.83 179.66 1tuv h PHE 24 N 0.99 0.94 -0.87 2.96 0.04 -0.25 -2.90 116.94 117.86 1tuv h PHE 24 Ca 0.21 -0.09 0.07 0.00 2.80 0.00 0.00 57.97 60.96 1tuv h PHE 24 Cb 0.35 -0.27 -0.06 0.00 2.20 0.00 0.00 35.95 38.17 1tuv h PHE 24 CO 0.03 0.78 0.56 0.00 -0.60 0.00 0.00 178.31 179.08 1tuv h ALA 25 N 1.28 1.57 0.00 2.45 0.00 -0.66 0.13 119.26 124.04 1tuv h ALA 25 Ca 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1tuv h ALA 25 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1tuv h ALA 25 CO -0.00 0.29 -0.23 0.87 0.00 0.00 0.00 179.25 180.17 1tuv h LYS 26 N 0.95 0.00 0.00 0.00 1.57 -1.28 -3.34 116.57 114.46 1tuv h LYS 26 Ca 0.38 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.09 1tuv h LYS 26 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1tuv h LYS 26 CO -0.14 0.23 -1.58 1.51 -0.57 0.00 0.00 179.45 178.90 1tuv n ILE 27 N -4.23 0.27 -0.20 1.86 0.13 -0.34 -4.73 119.36 112.12 1tuv n ILE 27 Ca -0.02 -0.32 -0.05 0.00 -1.10 0.00 0.00 62.75 61.26 1tuv n ILE 27 Cb 0.29 -0.13 0.05 0.00 -0.84 0.00 0.00 39.64 39.02 1tuv n ILE 27 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 1tuv h VAL 28 N 0.00 1.05 -0.90 9.51 2.07 -0.94 -0.20 116.25 126.85 1tuv h VAL 28 Ca -0.11 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.26 1tuv h VAL 28 Cb 0.94 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1tuv h VAL 28 CO 0.01 0.12 0.58 -0.65 0.02 0.00 0.00 177.57 177.65 1tuv h PRO 29 N 0.68 0.92 -0.29 1.57 0.11 -1.85 -1.37 132.00 131.77 1tuv h PRO 29 Ca 0.23 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 1tuv h PRO 29 Cb 0.04 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1tuv h PRO 29 CO -0.11 0.61 -0.00 1.15 -0.21 0.00 0.00 178.00 179.44 1tuv h THR 30 N 0.94 1.26 -0.75 -1.15 2.02 -1.62 -2.86 112.91 110.75 1tuv h THR 30 Ca 0.40 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 1tuv h THR 30 Cb 0.32 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1tuv h THR 30 CO -0.16 0.30 0.32 0.58 0.37 0.00 0.00 175.52 176.92 1tuv h VAL 31 N 0.29 1.25 -0.21 3.16 2.07 -0.44 -2.16 116.25 120.22 1tuv h VAL 31 Ca 0.08 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.90 1tuv h VAL 31 Cb 0.43 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1tuv h VAL 31 CO 0.01 0.31 0.16 -0.07 0.02 0.00 0.00 177.57 178.01 1tuv h LEU 32 N 1.07 0.00 0.00 2.57 3.38 -1.17 -0.86 115.31 120.31 1tuv h LEU 32 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1tuv h LEU 32 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1tuv h LEU 32 CO -0.02 0.00 -0.20 0.29 0.09 0.00 0.00 178.44 178.60 1tuv n LYS 33 N -4.30 0.04 -1.84 1.13 5.02 -0.84 -4.71 118.16 112.67 1tuv n LYS 33 Ca 0.02 0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 1tuv n LYS 33 Cb 0.30 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1tuv n LYS 33 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1tuv s GLU 34 N -3.02 3.35 0.14 1.97 2.02 -0.33 -4.89 118.70 117.94 1tuv s GLU 34 Ca 0.12 2.23 -0.35 0.00 0.02 0.00 0.00 54.97 57.00 1tuv s GLU 34 Cb 0.18 -2.38 -0.15 0.00 0.10 0.00 0.00 34.13 31.88 1tuv s GLU 34 CO 0.60 -1.02 1.50 0.39 0.02 0.00 0.00 175.26 176.75 1tuv n GLU 35 N -0.75 1.86 -0.88 1.61 1.02 -1.26 -2.03 120.64 120.22 1tuv n GLU 35 Ca 0.09 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1tuv n GLU 35 Cb 0.44 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1tuv n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tuv n GLY 36 N 3.11 0.85 3.66 0.62 0.00 -1.26 -4.88 105.19 107.28 1tuv n GLY 36 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1tuv n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tuv n HIS 38 N 5.30 0.03 0.00 0.00 8.25 0.62 -4.89 115.22 124.53 1tuv n HIS 38 Ca 0.01 -1.08 0.00 0.00 -0.26 0.00 0.00 57.72 56.39 1tuv n HIS 38 Cb 0.49 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1tuv n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tuv n GLY 39 N -1.36 3.64 3.15 -1.41 0.00 -1.20 -4.65 105.19 103.36 1tuv n GLY 39 Ca 0.17 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1tuv n GLY 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1tuv s TYR 40 N -0.97 -1.66 -0.12 1.61 5.04 -1.24 -1.26 117.35 118.75 1tuv s TYR 40 Ca 0.00 0.75 -0.02 0.00 -2.44 0.00 0.00 57.07 55.37 1tuv s TYR 40 Cb 0.00 0.29 0.04 0.00 0.35 0.00 0.00 41.96 42.64 1tuv s TYR 40 CO 0.00 -1.01 -0.01 0.00 -1.34 0.00 0.00 175.55 173.19 1tuv s ALA 41 N 2.54 0.95 -0.07 3.97 0.00 -0.32 -4.94 121.76 123.90 1tuv s ALA 41 Ca 0.13 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 1tuv s ALA 41 Cb -0.07 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1tuv s ALA 41 CO -0.20 -0.68 1.00 -1.25 0.00 0.00 0.00 175.76 174.62 1tuv s PRO 42 N 1.87 4.47 0.17 0.00 0.04 -1.26 -1.57 135.00 138.72 1tuv s PRO 42 Ca 0.03 1.40 0.10 0.00 0.04 0.00 0.00 61.00 62.57 1tuv s PRO 42 Cb -0.14 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 1tuv s PRO 42 CO -0.07 -0.22 -0.21 -1.64 0.04 0.00 0.00 177.00 174.91 1tuv s MET 43 N 1.64 1.37 0.15 4.56 -1.94 0.56 -4.97 119.30 120.66 1tuv s MET 43 Ca 0.50 -1.44 0.04 0.00 -1.71 0.00 0.00 55.69 53.08 1tuv s MET 43 Cb -0.19 -1.56 -0.04 0.00 2.01 0.00 0.00 34.83 35.04 1tuv s MET 43 CO 0.22 0.33 -0.09 0.14 -0.01 0.00 0.00 175.02 175.61 1tuv s VAL 44 N -1.80 1.09 0.54 -6.03 -7.23 -1.26 -0.76 120.40 104.94 1tuv s VAL 44 Ca 0.17 -2.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.08 1tuv s VAL 44 Cb -0.07 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 1tuv s VAL 44 CO 0.08 -0.74 1.31 -1.81 -0.31 0.00 0.00 175.10 173.63 1tuv s ASP 45 N -3.16 5.41 -0.14 4.85 1.01 -1.26 -5.01 116.67 118.36 1tuv s ASP 45 Ca 0.17 2.65 -0.00 0.00 0.71 0.00 0.00 52.55 56.08 1tuv s ASP 45 Cb 0.03 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.37 1tuv s ASP 45 CO 0.00 -1.47 -0.07 0.00 0.21 0.00 0.00 175.17 173.85 1tuv s ALA 47 N 1.65 3.22 -2.28 0.00 0.00 -1.26 -4.85 121.76 118.24 1tuv s ALA 47 Ca 0.03 0.27 0.20 0.00 0.00 0.00 0.00 51.96 52.46 1tuv s ALA 47 Cb -0.14 -3.86 0.27 0.00 0.00 0.00 0.00 23.12 19.39 1tuv s ALA 47 CO -0.08 -2.03 1.23 0.00 0.00 0.00 0.00 175.76 174.87 1tuv n ALA 48 N 8.47 2.42 -3.48 0.00 0.00 -1.26 -4.97 120.51 121.70 1tuv n ALA 48 Ca 0.18 -0.83 -0.26 0.00 0.00 0.00 0.00 53.44 52.53 1tuv n ALA 48 Cb 0.46 -0.71 0.02 0.00 0.00 0.00 0.00 19.45 19.22 1tuv n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tuv n GLY 49 N 1.19 -0.50 3.63 0.00 0.00 -1.26 -4.99 105.19 103.25 1tuv n GLY 49 Ca 0.14 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1tuv n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tuv s VAL 50 N -3.12 3.78 0.23 1.61 -7.23 -1.26 -5.03 120.40 109.39 1tuv s VAL 50 Ca 0.47 -0.83 0.30 0.00 -1.81 0.00 0.00 61.98 60.11 1tuv s VAL 50 Cb -0.24 -2.69 0.32 0.00 0.56 0.00 0.00 36.38 34.33 1tuv s VAL 50 CO 0.58 0.31 1.98 0.77 -0.31 0.00 0.00 175.10 178.44 1tuv h SER 51 N 4.21 0.00 0.39 4.85 4.64 -2.07 -2.76 113.55 122.80 1tuv h SER 51 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1tuv h SER 51 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1tuv h SER 51 CO 0.55 0.11 -0.28 2.22 -0.87 0.00 0.00 176.83 178.56 1tuv n PHE 52 N -3.32 0.00 -2.85 4.77 1.16 -1.26 -4.88 117.46 111.08 1tuv n PHE 52 Ca -0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.18 1tuv n PHE 52 Cb 0.31 -0.20 -0.06 0.00 -1.61 0.00 0.00 39.48 37.93 1tuv n PHE 52 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 1tuv s GLN 53 N -2.67 4.69 -0.09 3.97 0.74 -1.05 -5.06 119.66 120.20 1tuv s GLN 53 Ca 0.21 1.32 0.00 0.00 0.05 0.00 0.00 55.36 56.94 1tuv s GLN 53 Cb 0.19 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 1tuv s GLN 53 CO 0.56 0.47 -0.07 -1.12 -0.55 0.00 0.00 175.29 174.58 1tuv s SER 54 N -0.87 4.57 0.02 6.67 0.01 -1.26 -5.00 113.70 117.84 1tuv s SER 54 Ca 0.40 -0.08 0.07 0.00 1.31 0.00 0.00 55.95 57.64 1tuv s SER 54 Cb -0.24 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.66 1tuv s SER 54 CO 0.29 0.30 -0.20 -0.04 0.41 0.00 0.00 173.24 174.00 1tuv s MET 55 N -0.46 1.46 -0.37 12.44 -1.94 -1.26 -5.03 119.30 124.14 1tuv s MET 55 Ca 0.07 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.21 1tuv s MET 55 Cb -0.12 -1.51 0.11 0.00 2.01 0.00 0.00 34.83 35.32 1tuv s MET 55 CO 0.02 0.40 0.14 0.00 -0.01 0.00 0.00 175.02 175.57 1tuv s ALA 56 N -0.67 2.10 0.59 3.03 0.00 -1.26 -5.01 121.76 120.53 1tuv s ALA 56 Ca 0.07 -2.23 0.31 0.00 0.00 0.00 0.00 51.96 50.12 1tuv s ALA 56 Cb -0.08 -1.81 1.88 0.00 0.00 0.00 0.00 23.12 23.11 1tuv s ALA 56 CO 0.01 -1.82 2.26 -1.35 0.00 0.00 0.00 175.76 174.86 1tuv h PRO 57 N 7.47 0.00 -1.41 0.00 0.11 -1.99 -2.68 132.00 133.50 1tuv h PRO 57 Ca -0.07 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.38 1tuv h PRO 57 Cb 0.98 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.83 1tuv h PRO 57 CO 0.50 0.01 0.86 -0.25 -0.21 0.00 0.00 178.00 178.90 1tuv n ASP 58 N -3.75 7.46 -3.79 -2.05 8.00 -1.26 -4.89 116.55 116.28 1tuv n ASP 58 Ca -0.03 -3.70 -0.12 0.00 0.71 0.00 0.00 54.79 51.65 1tuv n ASP 58 Cb 0.09 -1.03 -0.08 0.00 -0.02 0.00 0.00 41.12 40.07 1tuv n ASP 58 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1tuv s SER 59 N -1.27 -0.11 -0.07 -2.24 1.04 -1.01 -1.28 113.70 108.76 1tuv s SER 59 Ca 0.57 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.96 1tuv s SER 59 Cb 0.45 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.88 1tuv s SER 59 CO -0.14 -0.50 -0.21 -0.63 0.98 0.00 0.00 173.24 172.74 1tuv s ILE 60 N -1.82 1.77 -0.27 -1.02 1.01 -0.28 -4.68 121.20 115.91 1tuv s ILE 60 Ca -0.10 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.61 1tuv s ILE 60 Cb -0.04 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 1tuv s ILE 60 CO 0.01 0.50 0.05 -0.69 0.00 0.00 0.00 174.94 174.80 1tuv s VAL 61 N 0.20 3.89 -0.01 2.92 1.01 0.06 -0.26 120.40 128.21 1tuv s VAL 61 Ca -0.11 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 1tuv s VAL 61 Cb -0.15 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1tuv s VAL 61 CO 0.05 0.22 0.67 -0.04 0.00 0.00 0.00 175.10 176.00 1tuv s MET 62 N 1.52 4.40 -0.17 2.72 -1.94 1.00 -0.32 119.30 126.51 1tuv s MET 62 Ca 0.04 0.86 0.00 0.00 -1.71 0.00 0.00 55.69 54.89 1tuv s MET 62 Cb -0.16 -3.38 0.01 0.00 2.01 0.00 0.00 34.83 33.31 1tuv s MET 62 CO 0.01 0.27 -0.17 0.42 -0.01 0.00 0.00 175.02 175.54 1tuv s ILE 63 N 0.10 2.42 0.04 2.53 1.01 -0.61 -1.23 121.20 125.46 1tuv s ILE 63 Ca 0.35 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 60.16 1tuv s ILE 63 Cb -0.19 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1tuv s ILE 63 CO 0.19 0.52 -0.04 -1.61 0.00 0.00 0.00 174.94 174.00 1tuv s GLU 64 N 1.10 0.53 -0.04 2.79 2.02 -0.10 -1.17 118.70 123.83 1tuv s GLU 64 Ca 0.00 -0.99 0.01 0.00 0.02 0.00 0.00 54.97 54.01 1tuv s GLU 64 Cb -0.14 0.09 0.02 0.00 0.10 0.00 0.00 34.13 34.19 1tuv s GLU 64 CO -0.06 -0.07 -0.05 -0.65 0.02 0.00 0.00 175.26 174.45 1tuv s GLN 65 N -2.90 0.85 0.02 1.61 -0.21 -0.39 -0.88 119.66 117.77 1tuv s GLN 65 Ca -0.01 -0.14 0.06 0.00 0.02 0.00 0.00 55.36 55.28 1tuv s GLN 65 Cb 0.00 -0.83 -0.02 0.00 1.00 0.00 0.00 33.01 33.16 1tuv s GLN 65 CO -0.06 -0.04 -0.18 -1.58 -2.12 0.00 0.00 175.29 171.31 1tuv s TRP 66 N 0.76 1.59 0.37 0.91 0.52 -0.62 -0.27 118.94 122.20 1tuv s TRP 66 Ca -0.11 -0.34 0.11 0.00 0.02 0.00 0.00 56.10 55.78 1tuv s TRP 66 Cb -0.13 -0.98 0.72 0.00 -1.15 0.00 0.00 33.47 31.93 1tuv s TRP 66 CO 0.00 0.04 1.84 0.93 0.02 0.00 0.00 176.95 179.79 1tuv h GLU 67 N 5.18 0.10 -3.14 4.98 5.08 -1.12 -0.80 114.58 124.86 1tuv h GLU 67 Ca -0.39 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1tuv h GLU 67 Cb 1.16 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 1tuv h GLU 67 CO 0.45 0.40 0.15 -1.54 -1.00 0.00 0.00 179.01 177.47 1tuv s SER 68 N -6.92 -0.27 0.23 1.42 1.04 -1.26 -4.51 113.70 103.43 1tuv s SER 68 Ca -0.04 -0.57 -0.08 0.00 0.48 0.00 0.00 55.95 55.73 1tuv s SER 68 Cb 0.15 0.67 0.22 0.00 0.10 0.00 0.00 66.02 67.16 1tuv s SER 68 CO 0.73 -1.24 1.89 -0.29 0.98 0.00 0.00 173.24 175.31 1tuv h ILE 69 N 2.07 1.18 -0.99 -1.02 6.09 -2.00 -2.43 117.51 120.41 1tuv h ILE 69 Ca -0.23 -0.38 0.15 0.00 -1.37 0.00 0.00 64.86 63.03 1tuv h ILE 69 Cb 1.26 -0.01 -0.09 0.00 0.47 0.00 0.00 36.82 38.44 1tuv h ILE 69 CO 0.28 0.20 0.61 0.00 -3.07 0.00 0.00 178.15 176.17 1tuv h ALA 70 N 1.32 1.55 -0.41 0.18 0.00 -1.99 0.23 119.26 120.14 1tuv h ALA 70 Ca 0.32 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1tuv h ALA 70 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1tuv h ALA 70 CO -0.09 0.11 -0.17 0.45 0.00 0.00 0.00 179.25 179.55 1tuv h HIS 71 N 0.89 0.96 -0.19 0.00 3.86 -1.79 -0.84 115.15 118.04 1tuv h HIS 71 Ca 0.52 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1tuv h HIS 71 Cb 0.64 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1tuv h HIS 71 CO -0.01 0.99 0.11 1.25 0.86 0.00 0.00 177.93 181.13 1tuv h LEU 72 N 0.65 0.23 -0.93 2.43 5.85 -1.08 -1.44 115.31 121.02 1tuv h LEU 72 Ca 0.09 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1tuv h LEU 72 Cb 0.73 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1tuv h LEU 72 CO 0.06 0.24 0.61 -0.33 -0.34 0.00 0.00 178.44 178.68 1tuv h GLU 73 N 0.21 1.17 -0.61 1.25 5.08 -0.86 -2.37 114.58 118.44 1tuv h GLU 73 Ca 0.07 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1tuv h GLU 73 Cb 0.06 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1tuv h GLU 73 CO -0.01 0.77 0.34 0.00 -1.00 0.00 0.00 179.01 179.12 1tuv h ALA 74 N 1.37 0.78 -0.84 3.43 0.00 -1.03 -2.31 119.26 120.66 1tuv h ALA 74 Ca 0.36 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.37 1tuv h ALA 74 Cb -0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 17.79 17.38 1tuv h ALA 74 CO -0.11 0.29 0.31 1.25 0.00 0.00 0.00 179.25 181.00 1tuv h HIS 75 N 0.83 0.51 0.00 0.00 -0.00 -0.77 -1.59 115.15 114.13 1tuv h HIS 75 Ca 0.22 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 1tuv h HIS 75 Cb 0.03 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.34 1tuv h HIS 75 CO -0.01 -0.06 -0.04 -0.07 -0.00 0.00 0.00 177.93 177.76 1tuv h LEU 76 N 0.36 0.00 -1.65 0.26 3.38 -0.96 -2.77 115.31 113.93 1tuv h LEU 76 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1tuv h LEU 76 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1tuv h LEU 76 CO -0.52 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.04 1tuv n GLN 77 N -3.14 2.13 -1.97 1.13 1.13 -0.61 -4.54 117.38 111.51 1tuv n GLN 77 Ca 0.01 -1.65 -0.34 0.00 -1.94 0.00 0.00 57.00 53.08 1tuv n GLN 77 Cb 0.34 -1.47 0.03 0.00 0.11 0.00 0.00 30.24 29.25 1tuv n GLN 77 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1tuv s THR 78 N -1.95 3.31 0.37 5.09 -4.23 -1.05 -4.84 115.64 112.34 1tuv s THR 78 Ca 0.32 0.67 0.08 0.00 -1.18 0.00 0.00 61.69 61.58 1tuv s THR 78 Cb 0.20 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 71.00 1tuv s THR 78 CO 0.31 -0.31 1.90 1.55 -0.54 0.00 0.00 174.62 177.52 1tuv h PRO 79 N 0.47 0.33 -0.26 3.99 0.13 -1.93 -1.70 132.00 133.03 1tuv h PRO 79 Ca -0.48 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.52 1tuv h PRO 79 Cb 1.25 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1tuv h PRO 79 CO 0.55 0.44 -0.07 1.12 -0.23 0.00 0.00 178.00 179.81 1tuv h HIS 80 N 0.31 0.43 0.16 1.56 2.07 -1.94 0.38 115.15 118.13 1tuv h HIS 80 Ca 0.06 -0.05 -0.30 0.00 -2.85 0.00 0.00 60.37 57.24 1tuv h HIS 80 Cb 0.37 -0.12 0.02 0.00 2.57 0.00 0.00 27.41 30.26 1tuv h HIS 80 CO 0.01 0.48 -1.31 0.52 -3.07 0.00 0.00 177.93 174.56 1tuv h MET 81 N 0.39 0.46 -0.88 5.12 2.86 -1.63 -0.94 114.93 120.31 1tuv h MET 81 Ca 0.08 -0.72 0.02 0.00 -2.06 0.00 0.00 59.70 57.02 1tuv h MET 81 Cb 0.37 0.26 -0.05 0.00 0.06 0.00 0.00 31.60 32.24 1tuv h MET 81 CO 0.02 1.33 0.58 0.87 1.06 0.00 0.00 176.91 180.76 1tuv h LYS 82 N 0.16 1.11 -0.54 1.72 1.57 -1.23 -0.46 116.57 118.90 1tuv h LYS 82 Ca -0.19 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1tuv h LYS 82 Cb 2.00 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 34.04 1tuv h LYS 82 CO 0.24 0.74 -0.06 0.00 -0.57 0.00 0.00 179.45 179.79 1tuv h ALA 83 N 1.34 0.88 0.03 3.86 0.00 -0.86 -2.15 119.26 122.36 1tuv h ALA 83 Ca 0.34 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1tuv h ALA 83 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1tuv h ALA 83 CO -0.09 0.65 -0.06 -0.92 0.00 0.00 0.00 179.25 178.83 1tuv h TYR 84 N 0.87 -0.15 -0.72 0.00 3.20 -0.89 -1.70 116.97 117.58 1tuv h TYR 84 Ca 0.15 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1tuv h TYR 84 Cb 0.59 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1tuv h TYR 84 CO 0.04 -0.09 0.41 0.77 -1.64 0.00 0.00 178.16 177.64 1tuv h SER 85 N -0.12 0.89 -0.68 -2.11 0.02 -0.87 -1.28 113.55 109.41 1tuv h SER 85 Ca 0.02 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1tuv h SER 85 Cb 0.13 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1tuv h SER 85 CO -0.04 0.71 0.32 -0.08 -1.14 0.00 0.00 176.83 176.60 1tuv h GLU 86 N 0.99 0.98 0.00 3.45 4.57 -1.34 -2.69 114.58 120.53 1tuv h GLU 86 Ca 0.25 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1tuv h GLU 86 Cb 0.01 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1tuv h GLU 86 CO -0.04 0.78 -0.29 0.00 -1.18 0.00 0.00 179.01 178.27 1tuv h ALA 87 N 1.15 1.46 -0.33 2.92 0.00 -0.30 -3.14 119.26 121.02 1tuv h ALA 87 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1tuv h ALA 87 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1tuv h ALA 87 CO -0.03 0.37 0.00 1.33 0.00 0.00 0.00 179.25 180.92 1tuv n VAL 88 N -4.12 0.67 0.23 0.00 0.24 -0.66 -4.65 118.33 110.04 1tuv n VAL 88 Ca -0.02 -0.83 0.16 0.00 -2.04 0.00 0.00 64.34 61.61 1tuv n VAL 88 Cb 0.35 0.77 0.85 0.00 -1.47 0.00 0.00 33.84 34.34 1tuv n VAL 88 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1tuv h LYS 89 N 2.89 0.00 -0.03 7.34 2.10 -1.43 0.33 116.57 127.78 1tuv h LYS 89 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1tuv h LYS 89 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1tuv h LYS 89 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 1tuv n GLY 90 N -1.38 0.56 0.03 0.07 0.00 -1.26 -4.34 105.19 98.86 1tuv n GLY 90 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1tuv n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tuv n ASP 91 N 0.83 2.59 -4.74 1.61 8.00 0.05 -4.90 116.55 119.98 1tuv n ASP 91 Ca 0.16 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.31 1tuv n ASP 91 Cb 0.49 1.13 -0.08 0.00 -0.02 0.00 0.00 41.12 42.63 1tuv n ASP 91 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1tuv s VAL 92 N -2.49 4.67 -0.25 2.53 1.01 -0.88 -0.99 120.40 123.99 1tuv s VAL 92 Ca -0.04 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1tuv s VAL 92 Cb 0.05 -2.99 -0.17 0.00 0.00 0.00 0.00 36.38 33.27 1tuv s VAL 92 CO 0.42 0.61 -0.20 0.18 0.00 0.00 0.00 175.10 176.11 1tuv n LEU 93 N 2.10 2.91 -3.68 3.92 4.77 0.59 -4.85 117.00 122.77 1tuv n LEU 93 Ca -0.19 -0.10 -0.04 0.00 -0.03 0.00 0.00 56.01 55.66 1tuv n LEU 93 Cb 0.54 -0.92 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 1tuv n LEU 93 CO 0.29 0.92 0.77 -1.83 -1.33 0.00 0.00 177.39 176.21 1tuv s GLU 94 N -2.52 0.98 0.03 3.23 -1.05 -1.16 -5.02 118.70 113.20 1tuv s GLU 94 Ca -0.34 -0.51 0.04 0.00 -0.15 0.00 0.00 54.97 54.01 1tuv s GLU 94 Cb 0.09 0.36 -0.02 0.00 -0.44 0.00 0.00 34.13 34.12 1tuv s GLU 94 CO 0.61 -0.45 -0.12 -1.64 0.95 0.00 0.00 175.26 174.61 1tuv s MET 95 N -3.11 0.80 -0.19 -4.83 -1.94 -1.26 -0.59 119.30 108.19 1tuv s MET 95 Ca 0.11 -0.67 0.01 0.00 -1.71 0.00 0.00 55.69 53.43 1tuv s MET 95 Cb -0.00 -0.77 0.04 0.00 2.01 0.00 0.00 34.83 36.11 1tuv s MET 95 CO -0.01 0.19 -0.11 1.21 -0.01 0.00 0.00 175.02 176.29 1tuv s ASN 96 N -1.04 3.21 -0.19 3.03 3.04 0.19 -4.96 114.94 118.22 1tuv s ASN 96 Ca -0.00 -0.79 0.01 0.00 0.04 0.00 0.00 52.86 52.12 1tuv s ASN 96 Cb -0.07 -1.20 0.02 0.00 -1.54 0.00 0.00 41.25 38.47 1tuv s ASN 96 CO 0.01 -0.13 -0.18 -0.63 -3.04 0.00 0.00 177.10 173.13 1tuv s ILE 97 N 1.43 2.16 -0.06 -5.21 1.01 -1.26 -0.47 121.20 118.81 1tuv s ILE 97 Ca 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.65 1tuv s ILE 97 Cb -0.15 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1tuv s ILE 97 CO -0.09 0.46 -0.02 -0.13 0.00 0.00 0.00 174.94 175.16 1tuv s ARG 98 N 1.28 2.85 -0.21 2.79 1.81 0.32 -5.00 118.95 122.79 1tuv s ARG 98 Ca 0.03 -0.51 -0.02 0.00 -1.72 0.00 0.00 55.73 53.51 1tuv s ARG 98 Cb -0.14 -2.69 0.00 0.00 -0.45 0.00 0.00 34.95 31.67 1tuv s ARG 98 CO -0.11 0.67 -0.09 0.42 -0.68 0.00 0.00 175.30 175.51 1tuv s ILE 99 N -0.90 2.96 0.12 1.52 1.01 -1.26 -1.48 121.20 123.18 1tuv s ILE 99 Ca 0.14 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.23 1tuv s ILE 99 Cb -0.11 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 1tuv s ILE 99 CO 0.04 0.44 -0.23 -0.76 0.00 0.00 0.00 174.94 174.43 1tuv s LEU 100 N 1.42 2.33 0.22 2.97 1.43 0.11 -4.98 118.68 122.18 1tuv s LEU 100 Ca 0.05 -0.74 0.08 0.00 -1.03 0.00 0.00 54.13 52.49 1tuv s LEU 100 Cb -0.14 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.03 1tuv s LEU 100 CO -0.06 0.09 -0.13 0.00 0.23 0.00 0.00 176.35 176.48 1tuv s GLN 101 N -2.11 1.38 0.26 1.70 -2.07 -1.26 -1.84 119.66 115.71 1tuv s GLN 101 Ca 0.11 -1.63 -0.30 0.00 -1.82 0.00 0.00 55.36 51.71 1tuv s GLN 101 Cb -0.09 -1.13 -0.13 0.00 -1.09 0.00 0.00 33.01 30.56 1tuv s GLN 101 CO 0.05 0.15 1.34 -2.30 -1.32 0.00 0.00 175.29 173.22 1tuv n PRO 102 N -0.42 1.97 0.00 9.60 -0.02 -1.26 -5.06 135.00 139.81 1tuv n PRO 102 Ca -0.07 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.25 1tuv n PRO 102 Cb 0.61 -2.31 0.67 0.00 -0.02 0.00 0.00 33.50 32.45 1tuv n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89