#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ch3 s VAL 1 N 0.00 0.49 0.31 3.17 1.01 -1.26 -5.06 120.40 119.06 1ch3 s VAL 1 Ca 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1ch3 s VAL 1 Cb 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 1ch3 s VAL 1 CO 0.00 0.21 0.72 -0.76 0.00 0.00 0.00 175.10 175.27 1ch3 s LEU 2 N 0.86 4.09 0.78 3.92 1.02 -1.26 -5.07 118.68 123.02 1ch3 s LEU 2 Ca -0.11 1.27 -0.11 0.00 0.02 0.00 0.00 54.13 55.20 1ch3 s LEU 2 Cb -0.14 -4.01 0.08 0.00 0.02 0.00 0.00 46.19 42.14 1ch3 s LEU 2 CO 0.00 -0.18 1.14 -0.94 0.02 0.00 0.00 176.35 176.39 1ch3 s SER 3 N -2.22 4.58 0.23 2.29 1.04 -1.26 -4.90 113.70 113.45 1ch3 s SER 3 Ca 0.53 0.69 -0.07 0.00 0.48 0.00 0.00 55.95 57.58 1ch3 s SER 3 Cb -0.11 -1.22 0.20 0.00 0.10 0.00 0.00 66.02 64.99 1ch3 s SER 3 CO 0.18 -1.83 1.81 -0.08 0.98 0.00 0.00 173.24 174.31 1ch3 h GLU 4 N -0.94 1.20 -0.68 4.02 4.57 -1.99 -1.59 114.58 119.17 1ch3 h GLU 4 Ca -0.46 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 57.57 1ch3 h GLU 4 Cb 1.33 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 1ch3 h GLU 4 CO 0.64 0.93 0.45 0.78 -1.18 0.00 0.00 179.01 180.64 1ch3 h GLY 5 N 1.19 0.94 0.86 1.92 0.00 -1.99 0.76 103.07 106.75 1ch3 h GLY 5 Ca 0.28 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1ch3 h GLY 5 CO -0.03 0.30 -0.10 0.83 0.00 0.00 0.00 176.54 177.54 1ch3 h GLU 6 N 0.85 0.52 -0.95 4.80 5.08 -1.79 -2.22 114.58 120.86 1ch3 h GLU 6 Ca 0.27 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1ch3 h GLU 6 Cb 0.03 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1ch3 h GLU 6 CO -0.07 0.76 0.63 -1.49 -1.00 0.00 0.00 179.01 177.84 1ch3 h TRP 7 N 0.25 1.19 -0.47 4.33 4.06 -0.81 -2.15 115.95 122.34 1ch3 h TRP 7 Ca 0.06 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.98 1ch3 h TRP 7 Cb 0.59 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 1ch3 h TRP 7 CO 0.06 0.74 0.05 1.96 -3.56 0.00 0.00 178.44 177.69 1ch3 h GLN 8 N 1.28 0.75 -0.61 0.49 1.08 -0.65 0.87 115.11 118.32 1ch3 h GLN 8 Ca 0.35 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 1ch3 h GLN 8 Cb -0.13 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.17 1ch3 h GLN 8 CO -0.08 0.73 0.27 -0.07 -0.95 0.00 0.00 178.83 178.72 1ch3 h LEU 9 N 0.71 0.82 0.05 1.46 3.38 -0.96 0.07 115.31 120.85 1ch3 h LEU 9 Ca 0.15 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ch3 h LEU 9 Cb 0.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ch3 h LEU 9 CO 0.01 0.75 -0.02 0.58 0.09 0.00 0.00 178.44 179.84 1ch3 h VAL 10 N 0.84 1.11 0.00 1.22 2.07 -0.87 -2.85 116.25 117.78 1ch3 h VAL 10 Ca 0.21 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1ch3 h VAL 10 Cb 0.16 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1ch3 h VAL 10 CO -0.02 0.13 -0.23 -0.07 0.02 0.00 0.00 177.57 177.40 1ch3 h LEU 11 N -0.30 0.00 -0.33 2.57 3.38 -0.78 -1.03 115.31 118.81 1ch3 h LEU 11 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1ch3 h LEU 11 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ch3 h LEU 11 CO 0.01 0.23 -0.47 -0.74 0.09 0.00 0.00 178.44 177.57 1ch3 h HIS 12 N 0.00 1.11 -0.03 1.13 2.76 -0.87 -1.67 115.15 117.58 1ch3 h HIS 12 Ca -0.00 -0.37 -0.15 0.00 -2.20 0.00 0.00 60.37 57.65 1ch3 h HIS 12 Cb 0.75 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 1ch3 h HIS 12 CO 0.00 1.20 -0.67 -0.24 -1.30 0.00 0.00 177.93 176.92 1ch3 h VAL 13 N 0.71 1.44 -0.20 5.26 3.04 -1.29 -3.10 116.25 122.12 1ch3 h VAL 13 Ca 0.04 -2.19 -0.05 0.00 -1.01 0.00 0.00 66.70 63.48 1ch3 h VAL 13 Cb 1.07 2.16 -0.01 0.00 -2.01 0.00 0.00 31.29 32.50 1ch3 h VAL 13 CO 0.11 0.64 -0.12 -0.25 -1.01 0.00 0.00 177.57 176.94 1ch3 h TRP 14 N 0.09 0.34 -0.23 3.17 2.91 -1.01 -1.82 115.95 119.40 1ch3 h TRP 14 Ca -0.01 -0.04 -0.00 0.00 1.13 0.00 0.00 58.89 59.97 1ch3 h TRP 14 Cb 1.19 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.74 1ch3 h TRP 14 CO 0.01 0.44 0.14 0.00 -1.03 0.00 0.00 178.44 178.00 1ch3 h ALA 15 N 1.58 1.81 -0.05 2.65 0.00 -1.22 -1.30 119.26 122.72 1ch3 h ALA 15 Ca 0.06 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1ch3 h ALA 15 Cb 0.40 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ch3 h ALA 15 CO 0.02 0.17 -0.64 0.87 0.00 0.00 0.00 179.25 179.67 1ch3 h LYS 16 N 0.31 0.52 -0.82 0.00 1.79 -1.44 -3.16 116.57 113.79 1ch3 h LYS 16 Ca 0.08 -0.50 0.12 0.00 -2.18 0.00 0.00 60.65 58.18 1ch3 h LYS 16 Cb -0.01 0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.68 1ch3 h LYS 16 CO -0.02 1.13 0.43 0.28 -1.08 0.00 0.00 179.45 180.19 1ch3 h VAL 17 N 0.10 0.80 0.00 0.50 2.07 -0.81 -1.68 116.25 117.23 1ch3 h VAL 17 Ca -0.07 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1ch3 h VAL 17 Cb 1.31 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ch3 h VAL 17 CO 0.13 0.12 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 1ch3 n GLU 18 N -4.83 0.01 0.28 1.57 1.02 -0.55 -1.16 120.64 116.99 1ch3 n GLU 18 Ca 0.15 0.26 0.17 0.00 -0.02 0.00 0.00 57.16 57.72 1ch3 n GLU 18 Cb 0.36 -1.52 0.80 0.00 -0.02 0.00 0.00 31.44 31.06 1ch3 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ch3 h ALA 19 N 2.48 1.07 -1.66 0.62 0.00 -1.29 -3.37 119.26 117.11 1ch3 h ALA 19 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 1ch3 h ALA 19 Cb 0.26 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 17.76 1ch3 h ALA 19 CO 0.00 0.06 -0.75 -3.47 0.00 0.00 0.00 179.25 175.09 1ch3 n ASP 20 N -3.25 -1.88 -0.07 0.00 2.03 -0.30 -5.00 116.55 108.07 1ch3 n ASP 20 Ca -0.01 -2.66 -0.13 0.00 0.52 0.00 0.00 54.79 52.51 1ch3 n ASP 20 Cb 0.25 0.56 -0.06 0.00 -0.72 0.00 0.00 41.12 41.14 1ch3 n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1ch3 h VAL 21 N 4.63 1.33 -0.80 5.18 2.07 -1.73 -2.64 116.25 124.29 1ch3 h VAL 21 Ca 0.15 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 1ch3 h VAL 21 Cb 1.00 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 1ch3 h VAL 21 CO 0.21 0.39 0.33 0.00 0.02 0.00 0.00 177.57 178.53 1ch3 h ALA 22 N 0.65 1.04 -0.41 1.67 0.00 -1.91 -1.05 119.26 119.25 1ch3 h ALA 22 Ca 0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1ch3 h ALA 22 Cb 0.69 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ch3 h ALA 22 CO 0.04 0.66 -0.14 0.78 0.00 0.00 0.00 179.25 180.58 1ch3 h GLY 23 N 1.16 0.88 1.03 0.00 0.00 -1.93 -2.33 103.07 101.88 1ch3 h GLY 23 Ca 0.27 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1ch3 h GLY 23 CO -0.02 0.69 0.09 0.45 0.00 0.00 0.00 176.54 177.75 1ch3 h HIS 24 N 0.63 1.03 -0.51 5.60 3.86 -1.40 -1.97 115.15 122.38 1ch3 h HIS 24 Ca 0.10 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1ch3 h HIS 24 Cb 0.69 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 1ch3 h HIS 24 CO 0.05 0.90 0.33 0.78 0.86 0.00 0.00 177.93 180.85 1ch3 h GLY 25 N 0.87 0.73 0.99 2.45 0.00 -1.10 -0.99 103.07 106.01 1ch3 h GLY 25 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1ch3 h GLY 25 CO 0.01 0.27 0.05 -1.61 0.00 0.00 0.00 176.54 175.26 1ch3 h GLN 26 N 0.69 0.10 -0.85 4.80 4.15 -1.40 -1.75 115.11 120.86 1ch3 h GLN 26 Ca 0.19 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.63 1ch3 h GLN 26 Cb -0.07 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.55 1ch3 h GLN 26 CO -0.04 0.08 0.55 -0.44 -1.93 0.00 0.00 178.83 177.04 1ch3 h ASP 27 N 0.10 0.90 -0.17 -0.69 3.32 -1.09 -0.87 116.42 117.91 1ch3 h ASP 27 Ca 0.03 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1ch3 h ASP 27 Cb -0.00 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1ch3 h ASP 27 CO -0.01 0.62 -0.15 0.40 -1.72 0.00 0.00 179.24 178.39 1ch3 h ILE 28 N 1.06 1.33 -0.23 0.35 2.04 -1.00 -1.76 117.51 119.30 1ch3 h ILE 28 Ca 0.34 -1.28 -0.13 0.00 1.00 0.00 0.00 64.86 64.79 1ch3 h ILE 28 Cb 0.01 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1ch3 h ILE 28 CO -0.12 0.38 -0.41 -0.07 0.00 0.00 0.00 178.15 177.93 1ch3 h LEU 29 N 0.07 0.57 -0.46 1.44 3.38 -1.21 -1.48 115.31 117.61 1ch3 h LEU 29 Ca 0.03 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1ch3 h LEU 29 Cb 0.67 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1ch3 h LEU 29 CO 0.04 0.91 -0.12 0.40 0.09 0.00 0.00 178.44 179.76 1ch3 h ILE 30 N 0.44 1.27 -0.46 1.22 2.04 -1.15 -1.63 117.51 119.24 1ch3 h ILE 30 Ca 0.04 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.67 1ch3 h ILE 30 Cb 0.90 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1ch3 h ILE 30 CO 0.08 0.43 0.27 -0.09 0.00 0.00 0.00 178.15 178.84 1ch3 h ARG 31 N 0.73 0.53 -0.07 2.37 9.65 -1.16 -0.50 114.38 125.94 1ch3 h ARG 31 Ca 0.11 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.00 1ch3 h ARG 31 Cb 0.67 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 1ch3 h ARG 31 CO 0.05 0.35 -0.16 1.25 2.80 0.00 0.00 179.97 184.26 1ch3 h LEU 32 N 0.55 -0.48 -0.71 3.80 5.85 -1.09 -0.90 115.31 122.33 1ch3 h LEU 32 Ca 0.19 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 1ch3 h LEU 32 Cb 0.02 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1ch3 h LEU 32 CO -0.09 -0.21 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.22 1ch3 h PHE 33 N -0.23 0.73 -0.21 1.25 0.04 -1.05 0.35 116.94 117.82 1ch3 h PHE 33 Ca 0.07 -0.19 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 1ch3 h PHE 33 Cb 0.33 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 1ch3 h PHE 33 CO -0.25 0.87 -0.14 0.87 -0.60 0.00 0.00 178.31 179.06 1ch3 h LYS 34 N 0.54 0.47 -0.02 1.51 1.57 -1.01 -2.74 116.57 116.89 1ch3 h LYS 34 Ca 0.06 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.45 1ch3 h LYS 34 Cb 0.81 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1ch3 h LYS 34 CO 0.07 0.78 -0.75 0.77 -0.57 0.00 0.00 179.45 179.74 1ch3 h SER 35 N 0.16 0.16 -2.12 0.86 0.02 -1.02 -3.39 113.55 108.22 1ch3 h SER 35 Ca 0.04 -0.12 -0.53 0.00 -0.84 0.00 0.00 61.79 60.34 1ch3 h SER 35 Cb 0.66 -0.05 -0.35 0.00 0.14 0.00 0.00 62.40 62.80 1ch3 h SER 35 CO 0.04 0.85 -0.94 1.41 -1.14 0.00 0.00 176.83 177.06 1ch3 n HIS 36 N -3.72 -1.22 0.32 3.45 8.25 0.10 -4.98 115.22 117.42 1ch3 n HIS 36 Ca -0.02 -3.10 0.19 0.00 -0.26 0.00 0.00 57.72 54.53 1ch3 n HIS 36 Cb 0.72 0.34 1.07 0.00 1.12 0.00 0.00 29.99 33.24 1ch3 n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ch3 h PRO 37 N 5.31 0.00 0.00 -0.41 0.11 -1.67 0.10 132.00 135.44 1ch3 h PRO 37 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1ch3 h PRO 37 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1ch3 h PRO 37 CO 0.34 0.00 -0.06 1.05 -0.21 0.00 0.00 178.00 179.13 1ch3 h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -2.16 114.58 120.64 1ch3 h GLU 38 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.33 1ch3 h GLU 38 Cb 0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 1ch3 h GLU 38 CO -0.00 0.06 -0.41 1.79 0.05 0.00 0.00 179.01 180.49 1ch3 h THR 39 N 0.00 1.04 0.00 -1.06 1.35 -1.30 -2.60 112.91 110.33 1ch3 h THR 39 Ca -0.00 -1.56 -0.00 0.00 -0.55 0.00 0.00 66.41 64.29 1ch3 h THR 39 Cb 0.20 1.91 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1ch3 h THR 39 CO 0.01 0.41 -0.01 0.25 -0.25 0.00 0.00 175.52 175.93 1ch3 h LEU 40 N 0.00 0.00 -2.31 3.87 5.85 -1.55 -2.21 115.31 118.96 1ch3 h LEU 40 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ch3 h LEU 40 Cb 0.88 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1ch3 h LEU 40 CO 0.05 0.01 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.80 1ch3 h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.57 -2.29 114.58 117.06 1ch3 h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ch3 h GLU 41 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ch3 h GLU 41 CO 0.00 0.03 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 1ch3 n LYS 42 N -3.26 0.08 -3.55 2.33 4.76 -0.83 -4.51 118.16 113.17 1ch3 n LYS 42 Ca -0.02 0.11 -0.41 0.00 -2.87 0.00 0.00 58.31 55.13 1ch3 n LYS 42 Cb 0.17 -1.60 -0.08 0.00 -1.84 0.00 0.00 35.03 31.69 1ch3 n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ch3 s PHE 43 N -3.04 3.49 0.51 2.13 0.40 -0.86 -4.90 117.98 115.71 1ch3 s PHE 43 Ca 0.12 -2.11 0.16 0.00 -0.60 0.00 0.00 56.93 54.49 1ch3 s PHE 43 Cb 0.15 -3.48 1.26 0.00 0.51 0.00 0.00 43.02 41.46 1ch3 s PHE 43 CO 0.50 -0.96 2.14 -0.44 0.70 0.00 0.00 175.22 177.16 1ch3 h ASP 44 N 7.96 0.00 -0.49 1.36 3.32 -1.83 -1.10 116.42 125.64 1ch3 h ASP 44 Ca -0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ch3 h ASP 44 Cb 1.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1ch3 h ASP 44 CO 0.80 0.02 0.30 0.03 -1.72 0.00 0.00 179.24 178.67 1ch3 h ARG 45 N 0.00 0.68 -0.00 3.56 3.08 -1.94 -3.32 114.38 116.44 1ch3 h ARG 45 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ch3 h ARG 45 Cb 0.03 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1ch3 h ARG 45 CO 0.00 0.49 -0.13 1.19 -1.07 0.00 0.00 179.97 180.46 1ch3 n PHE 46 N -4.42 0.00 -0.43 3.04 3.72 -0.52 -4.76 117.46 114.08 1ch3 n PHE 46 Ca 0.04 0.00 0.36 0.00 -0.05 0.00 0.00 57.45 57.80 1ch3 n PHE 46 Cb 0.08 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.29 1ch3 n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1ch3 h LYS 47 N 0.48 0.12 0.00 -1.08 3.64 -1.39 -0.85 116.57 117.49 1ch3 h LYS 47 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ch3 h LYS 47 Cb 0.16 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1ch3 h LYS 47 CO 0.00 0.08 -0.04 -2.39 -2.27 0.00 0.00 179.45 174.83 1ch3 n HIS 48 N -4.46 0.51 -2.40 1.91 1.44 -1.26 -4.86 115.22 106.08 1ch3 n HIS 48 Ca 0.33 0.15 -0.43 0.00 -2.01 0.00 0.00 57.72 55.77 1ch3 n HIS 48 Cb 1.36 -0.73 -0.02 0.00 0.12 0.00 0.00 29.99 30.72 1ch3 n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ch3 s LEU 49 N -3.84 4.24 -0.24 2.39 1.43 -0.33 -4.92 118.68 117.41 1ch3 s LEU 49 Ca 0.12 1.80 0.08 0.00 -1.03 0.00 0.00 54.13 55.10 1ch3 s LEU 49 Cb 0.15 -3.55 -0.20 0.00 0.03 0.00 0.00 46.19 42.62 1ch3 s LEU 49 CO 0.58 -0.69 -0.11 0.29 0.23 0.00 0.00 176.35 176.65 1ch3 n LYS 50 N 5.93 0.67 -4.37 1.70 5.02 -1.26 -4.99 118.16 120.86 1ch3 n LYS 50 Ca 0.13 0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 56.31 1ch3 n LYS 50 Cb 0.45 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 1ch3 n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ch3 s THR 51 N -2.51 1.60 0.34 -0.18 -4.23 -1.26 -5.02 115.64 104.38 1ch3 s THR 51 Ca -0.25 -2.15 0.06 0.00 -1.18 0.00 0.00 61.69 58.16 1ch3 s THR 51 Cb 0.08 -2.23 0.30 0.00 1.34 0.00 0.00 72.50 71.99 1ch3 s THR 51 CO 0.69 -0.46 1.92 -0.08 -0.54 0.00 0.00 174.62 176.15 1ch3 h GLU 52 N 2.45 0.78 -0.62 3.99 4.81 -1.99 -0.98 114.58 123.02 1ch3 h GLU 52 Ca -0.39 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1ch3 h GLU 52 Cb 1.22 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1ch3 h GLU 52 CO 0.64 0.52 0.39 0.00 -0.73 0.00 0.00 179.01 179.83 1ch3 h ALA 53 N 1.58 0.79 -0.36 2.92 0.00 -1.99 0.34 119.26 122.55 1ch3 h ALA 53 Ca 0.37 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1ch3 h ALA 53 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ch3 h ALA 53 CO -0.14 0.16 -0.21 0.93 0.00 0.00 0.00 179.25 179.99 1ch3 h GLU 54 N 0.79 0.68 -0.20 0.00 5.08 -1.63 -2.16 114.58 117.14 1ch3 h GLU 54 Ca 0.24 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1ch3 h GLU 54 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ch3 h GLU 54 CO -0.08 0.84 0.08 0.52 -1.00 0.00 0.00 179.01 179.37 1ch3 h MET 55 N 0.60 0.30 0.00 2.33 2.86 -0.55 -2.61 114.93 117.86 1ch3 h MET 55 Ca 0.09 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1ch3 h MET 55 Cb 0.68 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1ch3 h MET 55 CO 0.05 0.37 -0.09 0.87 1.06 0.00 0.00 176.91 179.17 1ch3 h LYS 56 N 0.16 0.00 -0.01 1.72 1.57 -0.20 -2.49 116.57 117.33 1ch3 h LYS 56 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ch3 h LYS 56 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ch3 h LYS 56 CO -0.01 0.09 -0.17 0.00 -0.57 0.00 0.00 179.45 178.79 1ch3 n ALA 57 N -2.49 2.90 -2.62 3.86 0.00 -0.82 -4.81 120.51 116.53 1ch3 n ALA 57 Ca -0.03 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1ch3 n ALA 57 Cb 0.17 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 1ch3 n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ch3 s SER 58 N -2.46 6.73 0.31 0.00 0.15 -0.94 -4.89 113.70 112.59 1ch3 s SER 58 Ca 0.27 0.74 0.02 0.00 0.70 0.00 0.00 55.95 57.68 1ch3 s SER 58 Cb 0.20 -2.44 0.50 0.00 -1.71 0.00 0.00 66.02 62.56 1ch3 s SER 58 CO 0.49 -0.70 1.83 -0.08 1.20 0.00 0.00 173.24 175.98 1ch3 h GLU 59 N 8.15 0.63 -0.46 5.44 4.57 -1.88 -2.65 114.58 128.38 1ch3 h GLU 59 Ca -0.23 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 57.73 1ch3 h GLU 59 Cb 1.09 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 1ch3 h GLU 59 CO 0.93 0.65 0.02 0.22 -1.18 0.00 0.00 179.01 179.65 1ch3 h ASP 60 N 0.60 0.77 -0.58 1.04 3.58 -1.96 -0.07 116.42 119.79 1ch3 h ASP 60 Ca 0.12 -0.29 -0.08 0.00 0.42 0.00 0.00 57.03 57.20 1ch3 h ASP 60 Cb 0.37 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1ch3 h ASP 60 CO 0.01 0.87 0.07 0.25 -2.88 0.00 0.00 179.24 177.57 1ch3 h LEU 61 N 0.64 0.97 -0.65 2.28 7.12 -1.87 -1.76 115.31 122.04 1ch3 h LEU 61 Ca 0.13 -0.23 -0.10 0.00 0.13 0.00 0.00 57.88 57.80 1ch3 h LEU 61 Cb 0.46 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.32 1ch3 h LEU 61 CO 0.02 0.99 -0.08 0.50 -0.13 0.00 0.00 178.44 179.73 1ch3 h LYS 62 N 0.94 0.97 -0.68 1.25 3.64 -1.16 -1.07 116.57 120.46 1ch3 h LYS 62 Ca 0.18 -0.34 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1ch3 h LYS 62 Cb 0.45 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1ch3 h LYS 62 CO 0.02 1.00 0.20 -0.22 -2.27 0.00 0.00 179.45 178.18 1ch3 h LYS 63 N 0.87 1.07 -0.49 1.90 3.64 -0.79 -2.64 116.57 120.13 1ch3 h LYS 63 Ca 0.14 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1ch3 h LYS 63 Cb 0.63 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1ch3 h LYS 63 CO 0.04 0.93 0.01 1.25 -2.27 0.00 0.00 179.45 179.41 1ch3 h HIS 64 N 1.00 0.86 -0.79 1.91 2.76 -0.91 -2.46 115.15 117.52 1ch3 h HIS 64 Ca 0.22 -0.12 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 1ch3 h HIS 64 Cb 0.32 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.00 1ch3 h HIS 64 CO 0.02 0.79 0.52 0.78 -1.30 0.00 0.00 177.93 178.75 1ch3 h GLY 65 N 0.98 1.11 0.98 5.26 0.00 -1.01 0.13 103.07 110.52 1ch3 h GLY 65 Ca 0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1ch3 h GLY 65 CO 0.02 0.39 0.16 -2.08 0.00 0.00 0.00 176.54 175.02 1ch3 h VAL 66 N 1.04 1.23 -0.40 4.60 2.07 -1.17 -1.43 116.25 122.20 1ch3 h VAL 66 Ca 0.30 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1ch3 h VAL 66 Cb -0.08 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1ch3 h VAL 66 CO -0.07 0.29 0.25 0.74 0.02 0.00 0.00 177.57 178.80 1ch3 h THR 67 N 0.71 1.12 -0.07 2.57 2.02 -0.92 -0.44 112.91 117.90 1ch3 h THR 67 Ca 0.17 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1ch3 h THR 67 Cb 0.28 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1ch3 h THR 67 CO -0.00 0.12 0.04 0.58 0.37 0.00 0.00 175.52 176.63 1ch3 h VAL 68 N 0.53 1.04 -0.02 3.16 2.07 -0.64 -2.02 116.25 120.37 1ch3 h VAL 68 Ca 0.14 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.40 1ch3 h VAL 68 Cb -0.02 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1ch3 h VAL 68 CO -0.03 0.03 -0.76 -0.07 0.02 0.00 0.00 177.57 176.76 1ch3 h LEU 69 N 0.07 0.22 -0.73 2.57 3.38 -1.08 -1.81 115.31 117.93 1ch3 h LEU 69 Ca 0.03 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1ch3 h LEU 69 Cb 0.02 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1ch3 h LEU 69 CO -0.01 0.90 0.48 0.74 0.09 0.00 0.00 178.44 180.64 1ch3 h THR 70 N 0.12 1.19 -0.50 0.22 2.02 -1.08 0.21 112.91 115.08 1ch3 h THR 70 Ca -0.03 -0.35 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 1ch3 h THR 70 Cb 1.34 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1ch3 h THR 70 CO 0.11 0.18 -0.14 0.00 0.37 0.00 0.00 175.52 176.05 1ch3 h ALA 71 N 1.26 0.80 -0.34 6.16 0.00 -0.94 -2.29 119.26 123.91 1ch3 h ALA 71 Ca 0.27 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1ch3 h ALA 71 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ch3 h ALA 71 CO -0.06 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 180.98 1ch3 h LEU 72 N 0.85 0.69 -0.96 0.00 5.85 -1.19 -2.12 115.31 118.43 1ch3 h LEU 72 Ca 0.13 -0.39 0.10 0.00 0.84 0.00 0.00 57.88 58.56 1ch3 h LEU 72 Cb 0.70 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 1ch3 h LEU 72 CO 0.05 0.92 0.60 1.23 -0.34 0.00 0.00 178.44 180.91 1ch3 h GLY 73 N 0.46 1.54 1.33 3.75 0.00 -0.54 0.41 103.07 110.02 1ch3 h GLY 73 Ca 0.08 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1ch3 h GLY 73 CO 0.04 0.20 -0.12 0.00 0.00 0.00 0.00 176.54 176.66 1ch3 h ALA 74 N 1.50 0.97 -0.15 3.60 0.00 -1.04 -1.78 119.26 122.37 1ch3 h ALA 74 Ca 0.46 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ch3 h ALA 74 Cb 0.38 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ch3 h ALA 74 CO -0.24 0.61 -0.07 0.82 0.00 0.00 0.00 179.25 180.37 1ch3 h ILE 75 N 0.71 1.31 -0.54 0.00 2.04 -0.70 -3.17 117.51 117.16 1ch3 h ILE 75 Ca 0.12 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.88 1ch3 h ILE 75 Cb 0.61 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1ch3 h ILE 75 CO 0.04 0.32 0.36 -0.07 0.00 0.00 0.00 178.15 178.80 1ch3 h LEU 76 N -0.03 0.61 0.00 1.44 3.38 -0.80 -1.75 115.31 118.17 1ch3 h LEU 76 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ch3 h LEU 76 Cb 0.53 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ch3 h LEU 76 CO 0.02 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.28 1ch3 n LYS 77 N -4.46 0.04 0.05 1.13 5.02 -0.68 -1.60 118.16 117.67 1ch3 n LYS 77 Ca 0.05 0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.62 1ch3 n LYS 77 Cb 0.05 -1.50 0.50 0.00 -0.02 0.00 0.00 35.03 34.06 1ch3 n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ch3 n LYS 78 N -1.47 0.11 -3.93 1.97 4.76 -0.66 -4.95 118.16 114.00 1ch3 n LYS 78 Ca 0.05 0.14 -0.25 0.00 -2.87 0.00 0.00 58.31 55.39 1ch3 n LYS 78 Cb 0.22 -1.64 -0.01 0.00 -1.84 0.00 0.00 35.03 31.76 1ch3 n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ch3 n LYS 79 N -1.83 -3.58 0.00 1.97 5.02 -0.63 -1.62 118.16 117.50 1ch3 n LYS 79 Ca 0.06 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1ch3 n LYS 79 Cb 0.34 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.68 1ch3 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ch3 n GLY 80 N -1.89 1.52 2.76 0.72 0.00 -1.26 -4.99 105.19 102.05 1ch3 n GLY 80 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1ch3 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ch3 n HIS 81 N -2.00 2.58 -0.47 1.61 8.25 -0.64 -4.70 115.22 119.84 1ch3 n HIS 81 Ca 0.00 -2.64 0.05 0.00 -0.26 0.00 0.00 57.72 54.86 1ch3 n HIS 81 Cb 0.00 -1.45 0.08 0.00 1.12 0.00 0.00 29.99 29.74 1ch3 n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1ch3 n HIS 82 N 1.35 0.10 -0.23 4.41 1.44 -1.26 -4.76 115.22 116.27 1ch3 n HIS 82 Ca 0.42 -0.71 0.02 0.00 -2.01 0.00 0.00 57.72 55.44 1ch3 n HIS 82 Cb 0.30 -0.10 0.11 0.00 0.12 0.00 0.00 29.99 30.41 1ch3 n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1ch3 h GLU 83 N 0.29 0.08 -0.27 -1.40 3.07 -2.00 -1.20 114.58 113.15 1ch3 h GLU 83 Ca 0.00 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 1ch3 h GLU 83 Cb 0.77 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1ch3 h GLU 83 CO 0.01 0.05 -0.26 0.00 -1.40 0.00 0.00 179.01 177.41 1ch3 h ALA 84 N 1.63 1.04 -0.18 3.43 0.00 -2.01 -2.87 119.26 120.30 1ch3 h ALA 84 Ca 0.35 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1ch3 h ALA 84 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ch3 h ALA 84 CO -0.61 0.58 -0.55 0.93 0.00 0.00 0.00 179.25 179.59 1ch3 h GLU 85 N 0.47 0.53 0.00 0.00 3.07 -1.75 -3.24 114.58 113.66 1ch3 h GLU 85 Ca 0.07 -0.34 -0.11 0.00 -0.50 0.00 0.00 59.36 58.47 1ch3 h GLU 85 Cb 0.70 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 1ch3 h GLU 85 CO 0.05 0.95 -0.54 1.25 -1.40 0.00 0.00 179.01 179.32 1ch3 h LEU 86 N 0.41 0.00 0.42 1.33 5.85 -1.07 -3.31 115.31 118.94 1ch3 h LEU 86 Ca 0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ch3 h LEU 86 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1ch3 h LEU 86 CO 0.10 0.54 -0.20 0.11 -0.34 0.00 0.00 178.44 178.65 1ch3 h LYS 87 N 0.00 -0.55 0.00 1.25 1.57 -1.54 -1.21 116.57 116.10 1ch3 h LYS 87 Ca -0.01 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1ch3 h LYS 87 Cb 1.03 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1ch3 h LYS 87 CO 0.07 -0.30 -0.30 -1.00 -0.57 0.00 0.00 179.45 177.34 1ch3 h PRO 88 N -0.69 0.00 -0.12 3.15 0.13 -1.75 -2.27 132.00 130.45 1ch3 h PRO 88 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1ch3 h PRO 88 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1ch3 h PRO 88 CO 0.10 0.30 0.04 2.35 -0.23 0.00 0.00 178.00 180.56 1ch3 h TRP 89 N 0.00 0.18 -0.56 1.56 7.01 -1.60 -2.53 115.95 120.01 1ch3 h TRP 89 Ca -0.00 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 1ch3 h TRP 89 Cb 0.69 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.67 1ch3 h TRP 89 CO 0.00 0.29 0.19 0.00 -2.79 0.00 0.00 178.44 176.13 1ch3 h ALA 90 N 0.87 0.73 -0.30 2.65 0.00 -1.15 -1.47 119.26 120.59 1ch3 h ALA 90 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ch3 h ALA 90 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ch3 h ALA 90 CO -0.00 0.38 0.15 0.37 0.00 0.00 0.00 179.25 180.15 1ch3 h GLN 91 N 0.78 0.43 -0.32 0.00 4.15 -1.33 0.24 115.11 119.06 1ch3 h GLN 91 Ca 0.18 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.37 1ch3 h GLN 91 Cb 0.26 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1ch3 h GLN 91 CO -0.01 0.40 -0.49 0.66 -1.93 0.00 0.00 178.83 177.46 1ch3 h SER 92 N 0.35 0.97 0.78 -0.69 4.64 -1.36 -1.07 113.55 117.16 1ch3 h SER 92 Ca 0.10 -0.49 -0.07 0.00 -0.47 0.00 0.00 61.79 60.86 1ch3 h SER 92 Cb 0.11 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1ch3 h SER 92 CO -0.01 1.29 -0.33 0.45 -0.87 0.00 0.00 176.83 177.36 1ch3 h HIS 93 N 0.69 0.00 0.00 4.77 3.86 -1.18 0.93 115.15 124.22 1ch3 h HIS 93 Ca 0.03 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 1ch3 h HIS 93 Cb 1.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.55 1ch3 h HIS 93 CO 0.07 0.33 -0.46 0.00 0.86 0.00 0.00 177.93 178.73 1ch3 h ALA 94 N 1.67 0.09 0.00 2.45 0.00 -0.90 0.15 119.26 122.73 1ch3 h ALA 94 Ca -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1ch3 h ALA 94 Cb 0.80 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ch3 h ALA 94 CO 0.04 0.27 -1.87 -2.37 0.00 0.00 0.00 179.25 175.32 1ch3 n THR 95 N -4.57 0.09 -0.11 0.00 5.66 -0.41 -3.70 114.28 111.24 1ch3 n THR 95 Ca -0.16 -0.44 -0.20 0.00 -3.05 0.00 0.00 64.05 60.19 1ch3 n THR 95 Cb 0.49 0.03 -0.08 0.00 -1.55 0.00 0.00 70.33 69.21 1ch3 n THR 95 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ch3 n LYS 96 N -2.18 0.55 0.06 1.09 3.00 -0.52 -4.68 118.16 115.48 1ch3 n LYS 96 Ca -0.05 0.44 0.11 0.00 -0.00 0.00 0.00 58.31 58.81 1ch3 n LYS 96 Cb 0.53 -1.63 -0.01 0.00 0.00 0.00 0.00 35.03 33.92 1ch3 n LYS 96 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ch3 n HIS 97 N -4.41 0.59 -3.15 5.64 -0.00 0.21 -5.01 115.22 109.09 1ch3 n HIS 97 Ca -0.33 0.17 -0.04 0.00 -0.00 0.00 0.00 57.72 57.52 1ch3 n HIS 97 Cb 0.66 -0.73 0.01 0.00 -0.00 0.00 0.00 29.99 29.93 1ch3 n HIS 97 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1ch3 n LYS 98 N -2.38 -1.44 -3.60 -0.41 4.01 -0.52 -5.00 118.16 108.82 1ch3 n LYS 98 Ca 0.00 1.35 -0.40 0.00 -0.51 0.00 0.00 58.31 58.74 1ch3 n LYS 98 Cb 0.52 -5.46 -0.11 0.00 -0.51 0.00 0.00 35.03 29.46 1ch3 n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1ch3 s ILE 99 N -3.05 4.56 0.58 -0.18 -1.09 0.43 -5.01 121.20 117.43 1ch3 s ILE 99 Ca 0.06 -0.86 -0.18 0.00 -2.23 0.00 0.00 60.65 57.44 1ch3 s ILE 99 Cb -0.01 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1ch3 s ILE 99 CO 0.76 -0.23 1.14 -2.16 -1.23 0.00 0.00 174.94 173.22 1ch3 s PRO 100 N 1.55 3.13 0.49 2.79 0.04 -1.26 -4.82 135.00 136.92 1ch3 s PRO 100 Ca 0.02 1.60 0.24 0.00 0.04 0.00 0.00 61.00 62.90 1ch3 s PRO 100 Cb -0.19 -1.98 1.30 0.00 0.04 0.00 0.00 34.50 33.67 1ch3 s PRO 100 CO 0.07 -1.03 1.90 0.82 0.04 0.00 0.00 177.00 178.80 1ch3 h ILE 101 N 0.83 0.65 -0.86 0.56 1.08 -1.71 -1.43 117.51 116.63 1ch3 h ILE 101 Ca -0.49 -0.06 0.07 0.00 -0.39 0.00 0.00 64.86 63.99 1ch3 h ILE 101 Cb 1.26 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 35.42 1ch3 h ILE 101 CO 0.56 0.03 0.53 0.50 -0.69 0.00 0.00 178.15 179.08 1ch3 h LYS 102 N 0.17 0.93 0.00 2.37 1.63 -1.91 -1.63 116.57 118.13 1ch3 h LYS 102 Ca 0.40 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 60.06 1ch3 h LYS 102 Cb 1.32 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1ch3 h LYS 102 CO -0.07 0.61 -0.39 1.88 -3.45 0.00 0.00 179.45 178.03 1ch3 h TYR 103 N 0.95 0.00 -0.03 1.91 -1.99 -1.62 -1.70 116.97 114.49 1ch3 h TYR 103 Ca 0.38 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.98 1ch3 h TYR 103 Cb 0.19 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 1ch3 h TYR 103 CO -0.03 0.39 -0.59 -0.07 -0.00 0.00 0.00 178.16 177.86 1ch3 h LEU 104 N 0.00 0.11 -0.45 3.88 3.38 -1.30 -1.53 115.31 119.41 1ch3 h LEU 104 Ca -0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1ch3 h LEU 104 Cb 0.84 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1ch3 h LEU 104 CO 0.05 0.67 -0.04 -0.33 0.09 0.00 0.00 178.44 178.88 1ch3 h GLU 105 N 0.08 0.82 -0.73 1.13 5.08 -0.68 -2.39 114.58 117.88 1ch3 h GLU 105 Ca -0.01 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1ch3 h GLU 105 Cb 1.06 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1ch3 h GLU 105 CO 0.08 0.90 0.31 0.74 -1.00 0.00 0.00 179.01 180.04 1ch3 h PHE 106 N 0.66 1.09 0.00 4.33 0.04 -0.97 -1.77 116.94 120.31 1ch3 h PHE 106 Ca 0.12 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 1ch3 h PHE 106 Cb 0.56 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1ch3 h PHE 106 CO 0.04 0.83 -0.39 0.97 -0.60 0.00 0.00 178.31 179.16 1ch3 h ILE 107 N 1.04 0.90 -0.45 -0.55 2.10 -1.21 -2.34 117.51 117.00 1ch3 h ILE 107 Ca 0.25 -1.60 -0.01 0.00 1.08 0.00 0.00 64.86 64.58 1ch3 h ILE 107 Cb 0.18 1.98 -0.02 0.00 -1.09 0.00 0.00 36.82 37.87 1ch3 h ILE 107 CO -0.02 0.39 0.26 0.28 -1.08 0.00 0.00 178.15 177.97 1ch3 h SER 108 N 0.00 0.55 -0.74 2.19 0.02 -0.92 -0.65 113.55 114.00 1ch3 h SER 108 Ca -0.00 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1ch3 h SER 108 Cb 0.94 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 1ch3 h SER 108 CO 0.05 0.47 0.37 -0.08 -1.14 0.00 0.00 176.83 176.50 1ch3 h GLU 109 N 0.59 1.06 -0.61 3.45 4.81 -1.10 -2.11 114.58 120.67 1ch3 h GLU 109 Ca 0.16 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1ch3 h GLU 109 Cb 0.03 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1ch3 h GLU 109 CO -0.03 0.81 0.06 0.00 -0.73 0.00 0.00 179.01 179.13 1ch3 h ALA 110 N 1.19 0.96 -0.16 2.92 0.00 -1.02 -1.48 119.26 121.66 1ch3 h ALA 110 Ca 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ch3 h ALA 110 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ch3 h ALA 110 CO -0.04 0.64 0.06 0.82 0.00 0.00 0.00 179.25 180.74 1ch3 h ILE 111 N 0.95 1.16 -0.85 0.00 2.04 -0.92 -1.73 117.51 118.16 1ch3 h ILE 111 Ca 0.18 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1ch3 h ILE 111 Cb 0.46 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1ch3 h ILE 111 CO 0.02 0.15 0.43 0.40 0.00 0.00 0.00 178.15 179.15 1ch3 h ILE 112 N 0.10 1.26 -0.10 -0.67 2.04 -1.26 -0.87 117.51 118.02 1ch3 h ILE 112 Ca 0.05 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1ch3 h ILE 112 Cb 0.18 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1ch3 h ILE 112 CO -0.00 0.30 0.06 -0.74 0.00 0.00 0.00 178.15 177.77 1ch3 h HIS 113 N 1.20 0.12 -0.45 1.37 2.76 -1.13 -0.62 115.15 118.41 1ch3 h HIS 113 Ca 0.30 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.38 1ch3 h HIS 113 Cb 0.08 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1ch3 h HIS 113 CO 0.01 0.08 -0.06 0.28 -1.30 0.00 0.00 177.93 176.94 1ch3 h VAL 114 N 0.13 1.27 -0.79 5.26 2.07 -1.09 -1.52 116.25 121.57 1ch3 h VAL 114 Ca 0.04 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1ch3 h VAL 114 Cb -0.01 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1ch3 h VAL 114 CO -0.01 0.39 0.38 -0.07 0.02 0.00 0.00 177.57 178.29 1ch3 h LEU 115 N 0.67 1.03 -0.84 2.57 3.38 -1.05 -1.00 115.31 120.08 1ch3 h LEU 115 Ca 0.12 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1ch3 h LEU 115 Cb 0.58 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1ch3 h LEU 115 CO 0.03 0.87 0.15 -0.74 0.09 0.00 0.00 178.44 178.84 1ch3 h HIS 116 N 1.12 1.06 -0.19 1.13 2.76 -0.92 -0.19 115.15 119.92 1ch3 h HIS 116 Ca 0.27 -0.12 -0.18 0.00 -2.20 0.00 0.00 60.37 58.14 1ch3 h HIS 116 Cb 0.11 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 1ch3 h HIS 116 CO 0.01 0.88 -0.61 1.03 -1.30 0.00 0.00 177.93 177.93 1ch3 h SER 117 N 0.97 0.75 0.55 3.26 0.87 -0.72 -3.25 113.55 115.98 1ch3 h SER 117 Ca 0.20 -0.43 -0.05 0.00 -1.23 0.00 0.00 61.79 60.28 1ch3 h SER 117 Cb 0.36 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1ch3 h SER 117 CO 0.00 1.19 -1.49 0.54 -0.53 0.00 0.00 176.83 176.54 1ch3 n ARG 118 N -3.95 0.63 -2.69 2.24 1.74 -0.43 -4.59 116.66 109.61 1ch3 n ARG 118 Ca -0.04 0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 56.88 1ch3 n ARG 118 Cb 0.65 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1ch3 n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ch3 n HIS 119 N -2.58 2.11 -0.13 -1.55 8.25 -0.09 -4.96 115.22 116.28 1ch3 n HIS 119 Ca -0.05 -3.16 0.05 0.00 -0.26 0.00 0.00 57.72 54.29 1ch3 n HIS 119 Cb 0.64 -0.29 0.36 0.00 1.12 0.00 0.00 29.99 31.82 1ch3 n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ch3 h PRO 120 N 2.85 0.72 0.00 -0.41 0.13 -1.73 -0.52 132.00 133.04 1ch3 h PRO 120 Ca 0.09 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.15 1ch3 h PRO 120 Cb 0.99 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1ch3 h PRO 120 CO 0.65 0.47 -0.12 0.78 -0.23 0.00 0.00 178.00 179.55 1ch3 h GLY 121 N 0.74 0.00 -1.58 1.56 0.00 -1.92 -2.93 103.07 98.93 1ch3 h GLY 121 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1ch3 h GLY 121 CO -0.07 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.17 1ch3 n ASN 122 N -3.17 3.24 -3.07 0.19 3.02 -0.76 -4.68 115.26 110.02 1ch3 n ASN 122 Ca 0.02 -2.10 -0.18 0.00 -0.03 0.00 0.00 54.58 52.29 1ch3 n ASN 122 Cb 0.49 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.33 1ch3 n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1ch3 n PHE 123 N 0.62 0.71 -1.24 3.10 7.35 -0.28 -4.68 117.46 123.05 1ch3 n PHE 123 Ca 0.15 -3.66 -0.11 0.00 -0.76 0.00 0.00 57.45 53.06 1ch3 n PHE 123 Cb 0.51 -0.41 0.08 0.00 0.35 0.00 0.00 39.48 40.01 1ch3 n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ch3 n GLY 124 N 0.17 -1.51 0.23 7.13 0.00 -1.24 -4.66 105.19 105.31 1ch3 n GLY 124 Ca 0.23 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 1ch3 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ch3 h ALA 125 N -1.99 0.72 -0.54 4.61 0.00 -1.98 -0.87 119.26 119.21 1ch3 h ALA 125 Ca -0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1ch3 h ALA 125 Cb 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ch3 h ALA 125 CO 0.12 0.15 0.07 -0.44 0.00 0.00 0.00 179.25 179.15 1ch3 h ASP 126 N 0.77 0.88 -0.01 0.00 3.32 -1.99 -0.50 116.42 118.89 1ch3 h ASP 126 Ca 0.21 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1ch3 h ASP 126 Cb -0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1ch3 h ASP 126 CO -0.05 0.93 -0.33 0.00 -1.72 0.00 0.00 179.24 178.08 1ch3 h ALA 127 N 0.98 1.00 -0.46 3.45 0.00 -1.81 -1.68 119.26 120.74 1ch3 h ALA 127 Ca 0.16 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1ch3 h ALA 127 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ch3 h ALA 127 CO 0.01 0.60 -0.12 0.37 0.00 0.00 0.00 179.25 180.12 1ch3 h GLN 128 N 0.41 0.90 -0.91 0.00 4.15 -0.99 -1.47 115.11 117.20 1ch3 h GLN 128 Ca 0.05 -0.35 0.01 0.00 0.77 0.00 0.00 58.65 59.13 1ch3 h GLN 128 Cb 0.78 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.37 1ch3 h GLN 128 CO 0.06 0.99 0.60 0.78 -1.93 0.00 0.00 178.83 179.33 1ch3 h GLY 129 N 0.74 1.28 1.03 2.39 0.00 -0.88 -0.24 103.07 107.40 1ch3 h GLY 129 Ca 0.12 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1ch3 h GLY 129 CO 0.05 0.48 -0.01 0.00 0.00 0.00 0.00 176.54 177.05 1ch3 h ALA 130 N 1.33 0.70 -0.61 3.60 0.00 -1.12 -1.96 119.26 121.21 1ch3 h ALA 130 Ca 0.33 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1ch3 h ALA 130 Cb -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1ch3 h ALA 130 CO -0.07 0.53 0.13 1.98 0.00 0.00 0.00 179.25 181.82 1ch3 h MET 131 N 0.80 0.98 -0.49 0.00 -1.53 -1.03 -1.18 114.93 112.48 1ch3 h MET 131 Ca 0.15 -0.25 0.00 0.00 -3.44 0.00 0.00 59.70 56.16 1ch3 h MET 131 Cb 0.55 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.45 1ch3 h MET 131 CO 0.03 0.91 0.32 -0.97 0.14 0.00 0.00 176.91 177.34 1ch3 h ASN 132 N 0.89 0.57 -0.54 1.39 -1.24 -0.97 -1.27 115.58 114.41 1ch3 h ASN 132 Ca 0.19 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.11 1ch3 h ASN 132 Cb 0.38 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 1ch3 h ASN 132 CO 0.01 0.42 0.10 0.50 -1.29 0.00 0.00 177.43 177.17 1ch3 h LYS 133 N 0.66 0.93 -0.58 6.67 3.64 -1.20 -0.14 116.57 126.55 1ch3 h LYS 133 Ca 0.18 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1ch3 h LYS 133 Cb -0.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1ch3 h LYS 133 CO -0.04 0.86 0.11 0.00 -2.27 0.00 0.00 179.45 178.11 1ch3 h ALA 134 N 1.22 0.77 -0.15 5.00 0.00 -0.93 -0.55 119.26 124.62 1ch3 h ALA 134 Ca 0.18 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1ch3 h ALA 134 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ch3 h ALA 134 CO 0.01 0.51 -0.58 -0.07 0.00 0.00 0.00 179.25 179.11 1ch3 h LEU 135 N 0.85 0.55 -0.47 0.00 3.38 -1.06 -1.51 115.31 117.06 1ch3 h LEU 135 Ca 0.18 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1ch3 h LEU 135 Cb 0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ch3 h LEU 135 CO 0.01 1.01 0.24 -0.33 0.09 0.00 0.00 178.44 179.46 1ch3 h GLU 136 N 0.37 0.66 -0.07 1.13 5.08 -0.93 -0.66 114.58 120.16 1ch3 h GLU 136 Ca -0.00 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1ch3 h GLU 136 Cb 1.12 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 1ch3 h GLU 136 CO 0.11 0.55 -0.19 1.25 -1.00 0.00 0.00 179.01 179.73 1ch3 h LEU 137 N 0.61 -0.56 -0.31 1.33 5.85 -0.96 -0.87 115.31 120.39 1ch3 h LEU 137 Ca 0.16 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.04 1ch3 h LEU 137 Cb 0.09 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 1ch3 h LEU 137 CO -0.02 -0.24 -0.13 0.15 -0.34 0.00 0.00 178.44 177.85 1ch3 h PHE 138 N -0.27 -0.32 -0.60 1.25 3.57 -1.15 -1.90 116.94 117.52 1ch3 h PHE 138 Ca 0.08 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1ch3 h PHE 138 Cb 0.38 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1ch3 h PHE 138 CO -0.27 -0.20 0.23 0.00 -2.23 0.00 0.00 178.31 175.84 1ch3 h ARG 139 N -0.08 0.88 -0.18 1.11 3.08 -0.82 -1.19 114.38 117.19 1ch3 h ARG 139 Ca 0.16 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ch3 h ARG 139 Cb 0.32 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1ch3 h ARG 139 CO -0.37 0.72 0.09 -0.22 -1.07 0.00 0.00 179.97 179.13 1ch3 h LYS 140 N 0.86 0.25 -0.54 0.04 3.64 -1.01 0.86 116.57 120.67 1ch3 h LYS 140 Ca 0.20 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1ch3 h LYS 140 Cb 0.18 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1ch3 h LYS 140 CO -0.02 0.26 0.03 -0.44 -2.27 0.00 0.00 179.45 177.01 1ch3 h ASP 141 N 0.17 0.87 -0.12 4.20 3.32 -1.15 -2.11 116.42 121.60 1ch3 h ASP 141 Ca 0.06 -0.21 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 1ch3 h ASP 141 Cb 0.09 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1ch3 h ASP 141 CO -0.01 0.92 -0.40 0.40 -1.72 0.00 0.00 179.24 178.42 1ch3 h ILE 142 N 0.84 1.29 -0.93 0.35 1.08 -1.06 -2.11 117.51 116.98 1ch3 h ILE 142 Ca 0.16 -1.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1ch3 h ILE 142 Cb 0.46 1.52 -0.05 0.00 -3.07 0.00 0.00 36.82 35.68 1ch3 h ILE 142 CO 0.02 0.50 0.59 0.00 -0.69 0.00 0.00 178.15 178.58 1ch3 h ALA 143 N 1.02 1.18 -0.30 1.87 0.00 -0.53 0.27 119.26 122.76 1ch3 h ALA 143 Ca 0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1ch3 h ALA 143 Cb 0.93 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ch3 h ALA 143 CO 0.08 0.60 -0.33 0.00 0.00 0.00 0.00 179.25 179.60 1ch3 h ALA 144 N 1.33 0.85 -0.31 0.00 0.00 -1.22 -2.78 119.26 117.13 1ch3 h ALA 144 Ca 0.34 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1ch3 h ALA 144 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ch3 h ALA 144 CO -0.07 0.64 -0.22 0.87 0.00 0.00 0.00 179.25 180.46 1ch3 h LYS 145 N 0.56 0.70 -0.69 0.00 1.79 -0.84 -2.51 116.57 115.57 1ch3 h LYS 145 Ca 0.06 -0.34 0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1ch3 h LYS 145 Cb 0.84 -0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.39 1ch3 h LYS 145 CO 0.07 0.94 0.21 1.88 -1.08 0.00 0.00 179.45 181.47 1ch3 h TYR 146 N 0.45 0.34 -0.30 -1.35 -1.99 -0.89 -0.83 116.97 112.41 1ch3 h TYR 146 Ca 0.06 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.80 1ch3 h TYR 146 Cb 0.78 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.45 1ch3 h TYR 146 CO 0.07 -0.01 0.07 -0.22 -0.00 0.00 0.00 178.16 178.07 1ch3 h LYS 147 N 0.33 0.48 -0.60 4.88 3.64 -1.37 0.14 116.57 124.08 1ch3 h LYS 147 Ca 0.38 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1ch3 h LYS 147 Cb 0.59 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1ch3 h LYS 147 CO -0.43 0.56 0.40 0.93 -2.27 0.00 0.00 179.45 178.64 1ch3 h GLU 148 N 0.32 0.69 0.00 1.90 5.08 -0.91 -2.25 114.58 119.41 1ch3 h GLU 148 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1ch3 h GLU 148 Cb 0.30 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ch3 h GLU 148 CO 0.00 0.45 -0.29 1.28 -1.00 0.00 0.00 179.01 179.46 1ch3 n LEU 149 N -4.46 0.50 0.00 1.33 4.77 -0.39 -4.94 117.00 113.81 1ch3 n LEU 149 Ca 0.07 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1ch3 n LEU 149 Cb 0.13 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1ch3 n LEU 149 CO 0.35 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1ch3 n GLY 150 N 1.41 0.83 0.42 -0.72 0.00 -0.14 -4.99 105.19 102.00 1ch3 n GLY 150 Ca 0.05 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1ch3 n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ch3 n TYR 151 N -2.28 0.00 -2.72 1.61 9.36 -0.20 -5.01 117.16 117.92 1ch3 n TYR 151 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 1ch3 n TYR 151 Cb 0.00 -0.61 0.00 0.00 -0.63 0.00 0.00 39.34 38.10 1ch3 n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1ch3 n GLN 152 N -3.89 -0.21 0.00 2.98 -0.06 -1.13 -4.94 117.38 110.13 1ch3 n GLN 152 Ca -0.32 -0.01 0.01 0.00 -2.00 0.00 0.00 57.00 54.68 1ch3 n GLN 152 Cb 0.69 -0.05 0.01 0.00 -4.06 0.00 0.00 30.24 26.83 1ch3 n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27