#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1le6 h ILE 2 N 0.00 0.90 -0.09 -0.61 6.09 -1.43 -0.35 117.51 122.01 1le6 h ILE 2 Ca 0.00 -0.20 -0.00 0.00 -1.37 0.00 0.00 64.86 63.29 1le6 h ILE 2 Cb 0.00 0.28 -0.00 0.00 0.47 0.00 0.00 36.82 37.56 1le6 h ILE 2 CO 0.00 0.10 0.04 -0.07 -3.07 0.00 0.00 178.15 175.15 1le6 h LEU 3 N 0.57 0.12 -0.50 2.19 3.38 -1.94 -0.77 115.31 118.37 1le6 h LEU 3 Ca 0.34 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1le6 h LEU 3 Cb 0.57 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1le6 h LEU 3 CO -0.12 0.24 0.16 -0.33 0.09 0.00 0.00 178.44 178.48 1le6 h GLU 4 N -0.00 0.77 -0.02 1.13 3.07 -1.76 -0.94 114.58 116.82 1le6 h GLU 4 Ca 0.03 -0.16 0.03 0.00 -0.50 0.00 0.00 59.36 58.76 1le6 h GLU 4 Cb 0.15 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 1le6 h GLU 4 CO -0.00 0.72 -0.17 1.25 -1.40 0.00 0.00 179.01 179.40 1le6 h LEU 5 N 0.67 -0.50 -0.64 1.33 5.85 -0.93 0.29 115.31 121.37 1le6 h LEU 5 Ca 0.16 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1le6 h LEU 5 Cb 0.27 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1le6 h LEU 5 CO -0.01 -0.23 0.41 0.00 -0.34 0.00 0.00 178.44 178.28 1le6 h ALA 6 N 0.68 0.83 -0.36 1.25 0.00 -1.05 -2.20 119.26 118.41 1le6 h ALA 6 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1le6 h ALA 6 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1le6 h ALA 6 CO -0.18 0.20 0.13 0.78 0.00 0.00 0.00 179.25 180.18 1le6 h GLY 7 N 0.83 0.58 0.98 0.00 0.00 -0.46 -0.89 103.07 104.12 1le6 h GLY 7 Ca 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1le6 h GLY 7 CO -0.07 0.31 0.25 -0.91 0.00 0.00 0.00 176.54 176.11 1le6 h THR 8 N 0.43 1.21 -0.83 4.70 1.35 -0.31 -0.77 112.91 118.68 1le6 h THR 8 Ca 0.12 -0.60 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 1le6 h THR 8 Cb 0.21 0.59 -0.04 0.00 -1.73 0.00 0.00 68.15 67.19 1le6 h THR 8 CO -0.01 0.24 0.47 0.58 -0.25 0.00 0.00 175.52 176.55 1le6 h VAL 9 N 0.74 1.24 -0.22 6.82 2.07 -1.30 -2.10 116.25 123.50 1le6 h VAL 9 Ca 0.19 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 1le6 h VAL 9 Cb 0.14 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1le6 h VAL 9 CO -0.02 0.26 -0.16 1.23 0.02 0.00 0.00 177.57 178.90 1le6 h GLY 10 N 1.15 0.40 0.91 2.17 0.00 -0.68 -2.01 103.07 105.01 1le6 h GLY 10 Ca 0.29 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1le6 h GLY 10 CO -0.05 0.26 0.09 0.00 0.00 0.00 0.00 176.54 176.84 1le6 h VAL 12 N 0.34 0.89 -3.81 0.00 2.07 -1.41 -3.40 116.25 110.93 1le6 h VAL 12 Ca 0.10 -1.97 -0.44 0.00 0.82 0.00 0.00 66.70 65.20 1le6 h VAL 12 Cb 0.25 1.99 0.16 0.00 -1.52 0.00 0.00 31.29 32.18 1le6 h VAL 12 CO -0.00 0.30 0.18 -0.83 0.02 0.00 0.00 177.57 177.24 1le6 s GLY 13 N -4.58 1.57 0.00 2.17 0.00 -0.76 -4.86 107.32 100.85 1le6 s GLY 13 Ca -0.23 -0.50 0.25 0.00 0.00 0.00 0.00 44.72 44.24 1le6 s GLY 13 CO 0.52 0.17 1.44 -1.55 0.00 0.00 0.00 173.10 173.69 1le6 n PRO 14 N -4.29 0.26 -4.30 2.90 -0.04 -1.26 -4.90 135.00 123.37 1le6 n PRO 14 Ca 0.06 -0.15 -0.16 0.00 -0.04 0.00 0.00 63.50 63.21 1le6 n PRO 14 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 1le6 n PRO 14 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1le6 s ARG 15 N -2.85 1.24 0.38 0.54 1.70 -1.26 -5.13 118.95 113.57 1le6 s ARG 15 Ca 0.15 -1.60 -0.27 0.00 -0.47 0.00 0.00 55.73 53.54 1le6 s ARG 15 Cb 0.18 -0.60 -0.11 0.00 -0.57 0.00 0.00 34.95 33.85 1le6 s ARG 15 CO 0.65 -0.04 1.26 -2.37 -1.08 0.00 0.00 175.30 173.72 1le6 n THR 16 N -0.34 2.24 0.22 4.99 5.66 -1.26 -4.75 114.28 121.04 1le6 n THR 16 Ca -0.07 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.55 1le6 n THR 16 Cb 0.63 -1.54 0.72 0.00 -1.55 0.00 0.00 70.33 68.59 1le6 n THR 16 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1le6 h PRO 17 N 2.30 0.00 0.00 1.09 0.11 -1.90 -1.68 132.00 131.92 1le6 h PRO 17 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1le6 h PRO 17 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1le6 h PRO 17 CO 0.61 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.37 1le6 h ILE 18 N 0.00 0.00 0.00 4.15 2.10 -1.95 -1.81 117.51 120.00 1le6 h ILE 18 Ca 0.05 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1le6 h ILE 18 Cb 0.20 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 1le6 h ILE 18 CO -0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1le6 h ALA 19 N 2.12 1.00 -0.12 0.18 0.00 -1.66 -2.17 119.26 118.60 1le6 h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1le6 h ALA 19 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1le6 h ALA 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1le6 n TYR 20 N -2.51 0.16 -0.25 0.00 4.02 -0.68 -4.69 117.16 113.21 1le6 n TYR 20 Ca -0.00 -0.26 0.04 0.00 -0.01 0.00 0.00 57.90 57.67 1le6 n TYR 20 Cb 0.14 -0.02 0.17 0.00 -0.02 0.00 0.00 39.34 39.61 1le6 n TYR 20 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1le6 h MET 21 N 1.40 0.45 -2.14 -0.72 4.05 -1.46 -3.37 114.93 113.13 1le6 h MET 21 Ca 0.00 -0.03 -0.30 0.00 -0.28 0.00 0.00 59.70 59.09 1le6 h MET 21 Cb 0.49 -0.10 -0.33 0.00 -0.80 0.00 0.00 31.60 30.86 1le6 h MET 21 CO 0.00 0.30 -0.62 0.21 0.23 0.00 0.00 176.91 177.03 1le6 s LYS 22 N -6.04 0.32 -0.13 0.39 2.36 -1.25 -3.88 119.74 111.51 1le6 s LYS 22 Ca -0.12 -0.04 -0.12 0.00 -2.55 0.00 0.00 55.97 53.14 1le6 s LYS 22 Cb 0.20 -0.68 0.03 0.00 -1.05 0.00 0.00 37.83 36.33 1le6 s LYS 22 CO 0.76 -0.96 0.35 -0.47 1.55 0.00 0.00 175.35 176.58 1le6 s TYR 23 N 2.38 -0.37 0.00 4.03 6.14 -0.36 -0.19 117.35 128.98 1le6 s TYR 23 Ca 0.09 0.90 0.00 0.00 0.64 0.00 0.00 57.07 58.71 1le6 s TYR 23 Cb -0.14 0.13 0.00 0.00 0.42 0.00 0.00 41.96 42.37 1le6 s TYR 23 CO -0.29 -0.19 0.00 0.41 0.64 0.00 0.00 175.55 176.11 1le6 n GLY 24 N 2.81 1.00 0.03 8.97 0.00 -0.11 -1.46 105.19 116.43 1le6 n GLY 24 Ca -0.13 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.34 1le6 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1le6 n PHE 26 N -1.91 0.00 -2.42 0.00 3.01 -1.25 -3.10 117.46 111.80 1le6 n PHE 26 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 1le6 n PHE 26 Cb 0.42 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.85 1le6 n PHE 26 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1le6 n GLY 28 N 5.14 0.82 3.65 0.00 0.00 -1.25 -1.22 105.19 112.33 1le6 n GLY 28 Ca 0.13 -2.13 -0.49 0.00 0.00 0.00 0.00 46.02 43.54 1le6 n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1le6 n LEU 29 N 0.00 2.64 0.00 0.99 7.94 -1.26 -4.65 117.00 122.66 1le6 n LEU 29 Ca 0.00 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 1le6 n LEU 29 Cb 0.00 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 42.62 1le6 n LEU 29 CO 0.00 -0.51 0.00 0.61 -1.11 0.00 0.00 177.39 176.38 1le6 n GLY 30 N 3.30 0.70 0.00 -3.96 0.00 -1.26 -5.02 105.19 98.96 1le6 n GLY 30 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1le6 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1le6 n GLY 31 N 0.00 4.61 3.46 -0.02 0.00 -1.26 -4.75 105.19 107.23 1le6 n GLY 31 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 1le6 n GLY 31 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1le6 s HIS 32 N -0.56 -0.46 0.00 1.61 -3.43 -1.18 -4.97 115.29 106.30 1le6 s HIS 32 Ca 0.00 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 1le6 s HIS 32 Cb 0.00 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 1le6 s HIS 32 CO 0.00 -0.75 0.00 0.41 -2.00 0.00 0.00 174.74 172.40 1le6 n GLY 33 N -0.34 -1.68 3.62 -1.38 0.00 -0.90 -4.38 105.19 100.14 1le6 n GLY 33 Ca -0.14 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 1le6 n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1le6 s GLN 34 N 0.00 3.94 0.17 1.61 2.00 -1.26 -4.23 119.66 121.89 1le6 s GLN 34 Ca 0.00 0.81 -0.33 0.00 -2.00 0.00 0.00 55.36 53.84 1le6 s GLN 34 Cb 0.00 -3.78 -0.13 0.00 0.80 0.00 0.00 33.01 29.89 1le6 s GLN 34 CO 0.00 -0.98 1.62 -2.30 -0.50 0.00 0.00 175.29 173.13 1le6 n PRO 35 N 6.97 2.34 0.21 1.67 -0.02 -1.26 -4.78 135.00 140.13 1le6 n PRO 35 Ca 0.10 0.85 0.07 0.00 -2.02 0.00 0.00 63.50 62.50 1le6 n PRO 35 Cb 0.48 -2.64 0.43 0.00 -0.02 0.00 0.00 33.50 31.75 1le6 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1le6 h ARG 36 N 6.20 0.00 0.00 -0.52 2.47 -1.94 -3.47 114.38 117.12 1le6 h ARG 36 Ca -0.44 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.28 1le6 h ARG 36 Cb 1.24 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1le6 h ARG 36 CO 0.91 0.31 0.02 -0.40 0.56 0.00 0.00 179.97 181.37 1le6 n ASP 37 N -3.60 -0.08 -0.08 7.04 5.75 -1.26 -5.01 116.55 119.31 1le6 n ASP 37 Ca -0.01 -1.04 -0.07 0.00 -0.01 0.00 0.00 54.79 53.66 1le6 n ASP 37 Cb 0.44 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1le6 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1le6 h ALA 38 N 2.00 0.27 -0.37 2.12 0.00 -1.92 -1.20 119.26 120.16 1le6 h ALA 38 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1le6 h ALA 38 Cb 0.05 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1le6 h ALA 38 CO 0.02 -0.41 0.10 0.82 0.00 0.00 0.00 179.25 179.78 1le6 h ILE 39 N 0.09 0.84 -0.63 0.00 2.04 -1.93 -1.27 117.51 116.66 1le6 h ILE 39 Ca 0.15 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1le6 h ILE 39 Cb 0.19 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1le6 h ILE 39 CO -0.24 0.04 0.42 -0.78 0.00 0.00 0.00 178.15 177.58 1le6 h ASP 40 N 0.23 0.68 -0.40 1.72 3.58 -1.79 -0.59 116.42 119.84 1le6 h ASP 40 Ca 0.17 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.51 1le6 h ASP 40 Cb 0.18 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1le6 h ASP 40 CO -0.21 0.48 -0.11 -0.50 -2.88 0.00 0.00 179.24 176.02 1le6 h TRP 41 N 0.79 0.95 -0.68 0.28 4.06 -0.16 -0.30 115.95 120.89 1le6 h TRP 41 Ca 0.24 -0.18 0.01 0.00 2.06 0.00 0.00 58.89 61.02 1le6 h TRP 41 Cb -0.00 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 27.88 1le6 h TRP 41 CO -0.00 0.92 0.44 0.00 -3.56 0.00 0.00 178.44 176.24 1le6 h HIS 44 N 0.44 -0.22 -0.53 0.00 6.17 -0.37 0.59 115.15 121.23 1le6 h HIS 44 Ca 0.07 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.14 1le6 h HIS 44 Cb 0.59 0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.57 1le6 h HIS 44 CO 0.02 -0.10 0.28 0.78 0.71 0.00 0.00 177.93 179.63 1le6 h GLY 45 N -0.29 0.77 1.09 5.26 0.00 -1.10 -1.75 103.07 107.04 1le6 h GLY 45 Ca -0.02 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 1le6 h GLY 45 CO 0.04 0.32 -0.12 0.84 0.00 0.00 0.00 176.54 177.62 1le6 h HIS 46 N 0.73 1.13 -0.72 5.60 6.17 -0.86 -1.61 115.15 125.58 1le6 h HIS 46 Ca 0.19 -0.24 0.01 0.00 0.71 0.00 0.00 60.37 61.03 1le6 h HIS 46 Cb 0.03 -0.28 -0.04 0.00 2.52 0.00 0.00 27.41 29.64 1le6 h HIS 46 CO 0.00 1.06 0.48 -0.44 0.71 0.00 0.00 177.93 179.74 1le6 h ASP 47 N 0.87 0.82 -0.86 3.26 3.45 -0.27 -0.10 116.42 123.60 1le6 h ASP 47 Ca 0.13 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1le6 h ASP 47 Cb 0.69 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 39.22 1le6 h ASP 47 CO 0.05 0.59 0.55 0.00 -1.57 0.00 0.00 179.24 178.86 1le6 h TYR 50 N 0.14 0.67 -0.54 0.00 -1.99 -0.80 -1.12 116.97 113.33 1le6 h TYR 50 Ca 0.06 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1le6 h TYR 50 Cb 0.40 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.91 1le6 h TYR 50 CO 0.03 0.59 0.34 1.15 -0.00 0.00 0.00 178.16 180.28 1le6 h THR 51 N 0.63 1.15 -0.76 -2.88 2.02 -0.87 0.13 112.91 112.33 1le6 h THR 51 Ca 0.14 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1le6 h THR 51 Cb 0.28 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1le6 h THR 51 CO 0.00 0.15 0.27 0.03 0.37 0.00 0.00 175.52 176.34 1le6 h ARG 52 N 0.73 1.16 -0.52 6.66 3.08 -0.93 -1.52 114.38 123.05 1le6 h ARG 52 Ca 0.20 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1le6 h ARG 52 Cb -0.05 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1le6 h ARG 52 CO -0.04 0.97 0.32 0.00 -1.07 0.00 0.00 179.97 180.15 1le6 h ALA 53 N 1.14 0.66 -0.78 0.04 0.00 -0.40 -1.54 119.26 118.39 1le6 h ALA 53 Ca 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1le6 h ALA 53 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1le6 h ALA 53 CO -0.01 0.13 0.31 0.93 0.00 0.00 0.00 179.25 180.61 1le6 h GLU 54 N 0.70 1.16 0.00 0.00 5.08 -0.43 -0.79 114.58 120.29 1le6 h GLU 54 Ca 0.19 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1le6 h GLU 54 Cb -0.04 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1le6 h GLU 54 CO -0.04 0.94 -0.02 0.93 -1.00 0.00 0.00 179.01 179.83 1le6 h GLU 55 N 1.12 0.00 -0.01 2.33 5.08 -0.90 0.96 114.58 123.17 1le6 h GLU 55 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1le6 h GLU 55 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1le6 h GLU 55 CO -0.02 0.02 -0.08 0.00 -1.00 0.00 0.00 179.01 177.93 1le6 n ALA 56 N -2.10 2.74 -0.38 3.43 0.00 -0.55 -4.91 120.51 118.74 1le6 n ALA 56 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1le6 n ALA 56 Cb 0.23 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1le6 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1le6 n GLY 57 N 1.21 0.80 3.91 0.00 0.00 0.33 -5.01 105.19 106.43 1le6 n GLY 57 Ca 0.17 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1le6 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1le6 s SER 59 N -4.17 5.10 0.44 0.00 0.01 -1.26 -4.26 113.70 109.56 1le6 s SER 59 Ca 0.49 -3.56 0.25 0.00 1.31 0.00 0.00 55.95 54.44 1le6 s SER 59 Cb -0.10 -1.74 1.26 0.00 0.21 0.00 0.00 66.02 65.65 1le6 s SER 59 CO 0.45 -0.17 1.77 -0.65 0.41 0.00 0.00 173.24 175.05 1le6 h PRO 60 N 5.94 0.24 0.00 12.44 0.11 -1.92 0.13 132.00 148.95 1le6 h PRO 60 Ca 0.09 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 1le6 h PRO 60 Cb 0.82 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1le6 h PRO 60 CO 0.75 0.16 -0.45 0.87 -0.21 0.00 0.00 178.00 179.12 1le6 h LYS 61 N 0.25 0.00 0.00 1.05 1.57 -1.93 -3.27 116.57 114.24 1le6 h LYS 61 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1le6 h LYS 61 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1le6 h LYS 61 CO -0.22 0.45 -0.47 0.25 -0.57 0.00 0.00 179.45 178.89 1le6 n THR 62 N -3.37 0.00 -1.63 -0.16 -2.24 -0.86 -1.67 114.28 104.35 1le6 n THR 62 Ca 0.01 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 1le6 n THR 62 Cb 0.63 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1le6 n THR 62 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1le6 n GLU 63 N -0.91 2.28 -2.30 -0.78 2.13 -0.02 -4.50 120.64 116.55 1le6 n GLU 63 Ca 0.00 0.76 -0.32 0.00 0.66 0.00 0.00 57.16 58.26 1le6 n GLU 63 Cb 0.09 -2.97 -0.02 0.00 0.27 0.00 0.00 31.44 28.81 1le6 n GLU 63 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1le6 s ARG 64 N 5.20 3.72 0.06 5.31 1.81 -1.26 0.18 118.95 133.97 1le6 s ARG 64 Ca 0.96 1.08 -0.23 0.00 -1.72 0.00 0.00 55.73 55.81 1le6 s ARG 64 Cb -0.49 -2.10 0.05 0.00 -0.45 0.00 0.00 34.95 31.97 1le6 s ARG 64 CO 0.42 -0.47 0.53 1.52 -0.68 0.00 0.00 175.30 176.63 1le6 s TYR 65 N -2.51 -0.44 0.25 -0.53 -0.85 -1.26 -4.83 117.35 107.18 1le6 s TYR 65 Ca 0.61 0.48 -0.17 0.00 -0.52 0.00 0.00 57.07 57.47 1le6 s TYR 65 Cb -0.12 0.37 -0.08 0.00 0.38 0.00 0.00 41.96 42.50 1le6 s TYR 65 CO 0.32 -0.67 0.70 -1.12 -1.52 0.00 0.00 175.55 173.26 1le6 s SER 66 N -2.04 6.91 0.03 -0.18 0.01 -1.26 -5.00 113.70 112.18 1le6 s SER 66 Ca -0.05 1.31 -0.28 0.00 1.31 0.00 0.00 55.95 58.24 1le6 s SER 66 Cb -0.01 -2.38 0.10 0.00 0.21 0.00 0.00 66.02 63.94 1le6 s SER 66 CO -0.03 -0.05 1.06 -1.66 0.41 0.00 0.00 173.24 172.97 1le6 s TRP 67 N -1.69 -0.16 0.11 2.43 1.48 -1.25 -1.74 118.94 118.13 1le6 s TRP 67 Ca 0.47 -0.03 -0.10 0.00 -1.06 0.00 0.00 56.10 55.37 1le6 s TRP 67 Cb -0.14 0.58 0.00 0.00 -1.16 0.00 0.00 33.47 32.75 1le6 s TRP 67 CO 0.19 -0.55 0.26 1.14 -4.06 0.00 0.00 176.95 173.93 1le6 s GLN 68 N -2.93 0.96 -0.19 3.25 -2.07 -0.58 -4.97 119.66 113.13 1le6 s GLN 68 Ca 0.11 -0.95 -0.04 0.00 -1.82 0.00 0.00 55.36 52.66 1le6 s GLN 68 Cb 0.00 0.38 -0.02 0.00 -1.09 0.00 0.00 33.01 32.28 1le6 s GLN 68 CO -0.03 -0.33 -0.03 0.00 -1.32 0.00 0.00 175.29 173.58 1le6 s VAL 70 N 0.93 0.63 -1.37 0.00 1.01 -0.13 -4.83 120.40 116.64 1le6 s VAL 70 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1le6 s VAL 70 Cb -0.14 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.31 1le6 s VAL 70 CO 0.01 0.02 0.84 -3.20 0.00 0.00 0.00 175.10 172.77 1le6 n ASN 71 N 5.03 -2.63 -1.59 3.32 4.05 -1.26 -0.94 115.26 121.24 1le6 n ASN 71 Ca -0.09 -0.77 -0.19 0.00 0.45 0.00 0.00 54.58 53.98 1le6 n ASN 71 Cb 0.48 -4.15 -0.07 0.00 1.23 0.00 0.00 39.78 37.27 1le6 n ASN 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1le6 n GLN 72 N -4.43 -1.35 -4.99 1.20 6.02 -1.26 -4.99 117.38 107.58 1le6 n GLN 72 Ca -0.18 1.11 -0.31 0.00 -0.01 0.00 0.00 57.00 57.61 1le6 n GLN 72 Cb 0.63 -5.46 -0.15 0.00 1.02 0.00 0.00 30.24 26.28 1le6 n GLN 72 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1le6 s SER 73 N -2.66 3.31 -0.20 1.08 0.01 -0.11 -4.08 113.70 111.04 1le6 s SER 73 Ca 0.00 -0.50 -0.18 0.00 1.31 0.00 0.00 55.95 56.59 1le6 s SER 73 Cb 0.00 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 1le6 s SER 73 CO 0.00 0.28 0.49 -0.69 0.41 0.00 0.00 173.24 173.74 1le6 s VAL 74 N -0.76 5.12 -0.26 3.43 1.01 -1.26 -0.96 120.40 126.72 1le6 s VAL 74 Ca 0.12 0.90 -0.06 0.00 0.00 0.00 0.00 61.98 62.94 1le6 s VAL 74 Cb -0.10 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1le6 s VAL 74 CO 0.02 0.18 0.03 -0.76 0.00 0.00 0.00 175.10 174.57 1le6 s LEU 75 N 1.63 3.47 0.09 3.92 2.01 -0.22 -4.99 118.68 124.59 1le6 s LEU 75 Ca 0.23 -0.55 -0.23 0.00 0.01 0.00 0.00 54.13 53.58 1le6 s LEU 75 Cb -0.15 -1.83 -0.07 0.00 0.01 0.00 0.00 46.19 44.15 1le6 s LEU 75 CO 0.09 -0.11 0.70 0.00 1.01 0.00 0.00 176.35 178.04 1le6 n GLY 77 N 1.96 -2.42 3.77 0.00 0.00 -0.71 -4.84 105.19 102.95 1le6 n GLY 77 Ca -0.06 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.40 1le6 n GLY 77 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1le6 s PRO 78 N -0.95 3.69 0.01 1.61 0.02 -1.26 -3.77 135.00 134.35 1le6 s PRO 78 Ca 0.00 1.78 -0.15 0.00 0.02 0.00 0.00 61.00 62.65 1le6 s PRO 78 Cb 0.00 -2.36 -0.06 0.00 0.02 0.00 0.00 34.50 32.10 1le6 s PRO 78 CO 0.00 -0.61 0.43 0.00 -0.33 0.00 0.00 177.00 176.49 1le6 s ALA 79 N -1.55 3.68 -0.12 -1.55 0.00 -1.26 -4.47 121.76 116.49 1le6 s ALA 79 Ca 0.65 -0.18 0.17 0.00 0.00 0.00 0.00 51.96 52.59 1le6 s ALA 79 Cb -0.29 -2.42 -0.20 0.00 0.00 0.00 0.00 23.12 20.21 1le6 s ALA 79 CO 0.35 0.47 0.59 0.39 0.00 0.00 0.00 175.76 177.55 1le6 n GLU 80 N 1.82 0.64 -4.04 0.00 -0.58 -1.26 -5.00 120.64 112.22 1le6 n GLU 80 Ca -0.13 0.14 -0.12 0.00 -0.42 0.00 0.00 57.16 56.63 1le6 n GLU 80 Cb 0.52 -1.71 -0.04 0.00 -0.57 0.00 0.00 31.44 29.64 1le6 n GLU 80 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1le6 s ASN 81 N -5.64 0.43 0.36 1.62 2.20 -1.26 -5.06 114.94 107.59 1le6 s ASN 81 Ca -0.05 -1.25 0.04 0.00 -0.94 0.00 0.00 52.86 50.65 1le6 s ASN 81 Cb 0.08 0.64 0.66 0.00 -2.00 0.00 0.00 41.25 40.63 1le6 s ASN 81 CO 0.83 -1.25 1.97 0.11 -2.94 0.00 0.00 177.10 175.82 1le6 h LYS 82 N 2.18 0.68 -0.37 3.55 1.57 -1.99 -2.72 116.57 119.48 1le6 h LYS 82 Ca -0.28 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 1le6 h LYS 82 Cb 1.25 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1le6 h LYS 82 CO 0.39 0.52 0.06 0.00 -0.57 0.00 0.00 179.45 179.85 1le6 h GLN 84 N 0.44 0.97 -0.07 0.00 4.20 -1.85 0.71 115.11 119.52 1le6 h GLN 84 Ca 0.11 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1le6 h GLN 84 Cb 0.35 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1le6 h GLN 84 CO 0.01 0.66 0.01 1.49 -0.67 0.00 0.00 178.83 180.33 1le6 h GLU 85 N 0.99 0.12 -0.24 1.46 4.81 -1.14 -2.38 114.58 118.20 1le6 h GLU 85 Ca 0.26 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1le6 h GLU 85 Cb -0.07 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1le6 h GLU 85 CO -0.05 0.34 0.09 1.25 -0.73 0.00 0.00 179.01 179.91 1le6 h LEU 86 N -0.13 0.35 -0.46 1.64 5.85 -0.35 -2.79 115.31 119.42 1le6 h LEU 86 Ca 0.02 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1le6 h LEU 86 Cb 0.28 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1le6 h LEU 86 CO 0.00 0.44 0.10 -0.07 -0.34 0.00 0.00 178.44 178.57 1le6 h LEU 87 N 0.23 0.71 -1.11 2.25 3.38 -0.90 -2.01 115.31 117.86 1le6 h LEU 87 Ca 0.08 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1le6 h LEU 87 Cb 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1le6 h LEU 87 CO -0.00 0.77 -0.14 0.00 0.09 0.00 0.00 178.44 179.15 1le6 h LYS 89 N 0.42 0.75 -0.32 0.00 1.57 -1.24 0.25 116.57 118.01 1le6 h LYS 89 Ca 0.08 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1le6 h LYS 89 Cb 0.50 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1le6 h LYS 89 CO 0.03 0.73 0.19 0.00 -0.57 0.00 0.00 179.45 179.83 1le6 h ASP 91 N 0.41 0.85 -0.82 0.00 3.32 -1.08 -1.89 116.42 117.21 1le6 h ASP 91 Ca 0.11 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 1le6 h ASP 91 Cb 0.01 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 1le6 h ASP 91 CO -0.02 1.21 0.39 -0.61 -1.72 0.00 0.00 179.24 178.48 1le6 h GLN 92 N 0.60 1.19 -0.20 3.56 4.15 -0.38 -1.15 115.11 122.88 1le6 h GLN 92 Ca 0.02 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 1le6 h GLN 92 Cb 1.10 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1le6 h GLN 92 CO 0.11 0.92 0.06 1.49 -1.93 0.00 0.00 178.83 179.48 1le6 h GLU 93 N 1.17 0.30 -0.15 1.69 4.81 -0.85 -1.90 114.58 119.66 1le6 h GLU 93 Ca 0.28 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 1le6 h GLU 93 Cb 0.13 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1le6 h GLU 93 CO -0.03 0.41 -0.41 0.97 -0.73 0.00 0.00 179.01 179.22 1le6 h ILE 94 N 0.14 1.31 -0.62 2.32 2.10 -1.20 -1.98 117.51 119.58 1le6 h ILE 94 Ca 0.06 -1.54 -0.02 0.00 1.08 0.00 0.00 64.86 64.44 1le6 h ILE 94 Cb 0.23 1.65 -0.03 0.00 -1.09 0.00 0.00 36.82 37.58 1le6 h ILE 94 CO -0.00 0.47 0.30 0.00 -1.08 0.00 0.00 178.15 177.83 1le6 h ALA 95 N 1.30 0.80 -0.45 0.18 0.00 -1.07 -0.68 119.26 119.35 1le6 h ALA 95 Ca 0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1le6 h ALA 95 Cb 0.84 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1le6 h ALA 95 CO 0.07 0.37 -0.22 -0.91 0.00 0.00 0.00 179.25 178.56 1le6 h ASN 96 N 0.86 0.93 -0.61 0.00 2.35 -1.18 -2.38 115.58 115.55 1le6 h ASN 96 Ca 0.21 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 1le6 h ASN 96 Cb 0.13 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1le6 h ASN 96 CO -0.03 1.11 0.23 0.00 -1.65 0.00 0.00 177.43 177.09 1le6 h LEU 98 N 0.85 0.29 -1.87 0.00 3.38 -1.10 -3.30 115.31 113.56 1le6 h LEU 98 Ca 0.20 -0.17 0.26 0.00 0.09 0.00 0.00 57.88 58.26 1le6 h LEU 98 Cb 0.22 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1le6 h LEU 98 CO -0.01 0.85 0.66 0.00 0.09 0.00 0.00 178.44 180.03 1le6 h ALA 99 N 1.15 2.73 -0.59 1.53 0.00 -1.32 -1.26 119.26 121.51 1le6 h ALA 99 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1le6 h ALA 99 Cb 1.16 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1le6 h ALA 99 CO 0.10 -1.01 0.14 0.00 0.00 0.00 0.00 179.25 178.47 1le6 n GLN 100 N -4.32 3.69 -4.09 0.00 10.64 -1.24 -4.58 117.38 117.47 1le6 n GLN 100 Ca 0.20 -3.07 -0.24 0.00 -1.83 0.00 0.00 57.00 52.06 1le6 n GLN 100 Cb 0.95 -2.13 -0.05 0.00 -0.86 0.00 0.00 30.24 28.15 1le6 n GLN 100 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1le6 s THR 101 N -2.94 4.52 0.01 -0.39 -4.23 -0.48 -5.12 115.64 107.02 1le6 s THR 101 Ca 0.52 -1.24 -0.01 0.00 -1.18 0.00 0.00 61.69 59.77 1le6 s THR 101 Cb 0.42 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 1le6 s THR 101 CO 0.12 -0.25 0.17 -1.61 -0.54 0.00 0.00 174.62 172.51 1le6 s GLU 102 N -3.54 3.34 -0.09 3.99 2.02 -1.26 -5.03 118.70 118.13 1le6 s GLU 102 Ca 0.32 -0.40 -0.18 0.00 0.02 0.00 0.00 54.97 54.73 1le6 s GLU 102 Cb -0.09 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.08 1le6 s GLU 102 CO 0.25 0.65 0.47 -0.47 0.02 0.00 0.00 175.26 176.17 1le6 s TYR 103 N -1.35 3.56 -0.48 1.61 6.14 -1.26 -4.80 117.35 120.76 1le6 s TYR 103 Ca 0.29 0.92 -0.04 0.00 0.64 0.00 0.00 57.07 58.87 1le6 s TYR 103 Cb -0.13 -2.51 0.13 0.00 0.42 0.00 0.00 41.96 39.87 1le6 s TYR 103 CO 0.20 0.25 0.30 -0.80 0.64 0.00 0.00 175.55 176.15 1le6 s ASN 104 N 0.30 5.34 0.56 4.32 0.02 -1.26 -4.97 114.94 119.26 1le6 s ASN 104 Ca 0.26 -2.25 0.31 0.00 -1.02 0.00 0.00 52.86 50.16 1le6 s ASN 104 Cb -0.15 -1.87 1.46 0.00 0.02 0.00 0.00 41.25 40.71 1le6 s ASN 104 CO 0.11 -0.52 1.86 0.25 0.02 0.00 0.00 177.10 178.81 1le6 h LEU 105 N 7.83 0.00 -0.63 0.60 5.85 -1.99 -1.23 115.31 125.74 1le6 h LEU 105 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1le6 h LEU 105 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1le6 h LEU 105 CO 0.73 0.00 0.00 2.29 -0.34 0.00 0.00 178.44 181.12 1le6 n LYS 106 N -4.00 0.10 0.00 1.25 2.85 -1.26 -2.34 118.16 114.76 1le6 n LYS 106 Ca 0.16 0.46 0.09 0.00 -1.05 0.00 0.00 58.31 57.97 1le6 n LYS 106 Cb 0.91 -1.75 0.04 0.00 -0.65 0.00 0.00 35.03 33.58 1le6 n LYS 106 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1le6 n TYR 107 N -1.96 0.00 -2.04 5.58 0.53 -0.46 -4.78 117.16 114.03 1le6 n TYR 107 Ca 0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.47 1le6 n TYR 107 Cb 0.12 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.40 1le6 n TYR 107 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1le6 s LEU 108 N -1.82 4.36 -1.46 7.72 2.96 -0.99 -0.93 118.68 128.51 1le6 s LEU 108 Ca 0.18 2.39 -0.11 0.00 -0.22 0.00 0.00 54.13 56.38 1le6 s LEU 108 Cb 0.15 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.32 1le6 s LEU 108 CO 0.33 -0.79 1.00 0.49 -1.32 0.00 0.00 176.35 176.06 1le6 n PHE 109 N 4.91 -2.40 -2.12 5.38 3.01 0.73 -4.94 117.46 122.03 1le6 n PHE 109 Ca 0.14 0.93 -0.40 0.00 1.01 0.00 0.00 57.45 59.13 1le6 n PHE 109 Cb 0.41 -4.29 -0.01 0.00 -0.01 0.00 0.00 39.48 35.57 1le6 n PHE 109 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1le6 s TYR 110 N -3.35 2.97 -0.11 1.38 6.14 -0.94 -4.93 117.35 118.52 1le6 s TYR 110 Ca 0.56 1.44 -0.29 0.00 0.64 0.00 0.00 57.07 59.41 1le6 s TYR 110 Cb -0.27 -3.63 -0.04 0.00 0.42 0.00 0.00 41.96 38.43 1le6 s TYR 110 CO 0.80 -1.85 1.60 -2.14 0.64 0.00 0.00 175.55 174.60 1le6 s PRO 111 N -2.03 4.09 0.51 4.97 0.02 -1.26 -4.80 135.00 136.49 1le6 s PRO 111 Ca 0.53 2.00 0.15 0.00 0.02 0.00 0.00 61.00 63.70 1le6 s PRO 111 Cb -0.38 -3.97 1.22 0.00 0.02 0.00 0.00 34.50 31.39 1le6 s PRO 111 CO 0.49 -0.94 2.13 0.37 -0.33 0.00 0.00 177.00 178.71 1le6 h GLN 112 N 9.69 0.07 0.00 5.54 5.75 -1.91 -2.07 115.11 132.18 1le6 h GLN 112 Ca -0.36 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.13 1le6 h GLN 112 Cb 1.16 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1le6 h GLN 112 CO 0.97 0.05 0.00 1.97 -2.65 0.00 0.00 178.83 179.17 1le6 n PHE 113 N -4.52 0.00 1.19 3.99 1.16 -1.26 -1.41 117.46 116.61 1le6 n PHE 113 Ca -0.01 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.69 1le6 n PHE 113 Cb 0.12 -0.23 0.25 0.00 -1.61 0.00 0.00 39.48 38.01 1le6 n PHE 113 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1le6 n LEU 114 N -1.23 2.04 -4.79 5.98 4.77 -0.78 -4.93 117.00 118.07 1le6 n LEU 114 Ca 0.07 -0.68 -0.39 0.00 -0.03 0.00 0.00 56.01 54.98 1le6 n LEU 114 Cb 0.09 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1le6 n LEU 114 CO 0.09 0.35 0.42 0.00 -1.33 0.00 0.00 177.39 176.92 1le6 s GLU 116 N -1.20 1.53 0.14 0.00 8.01 -1.26 -4.83 118.70 121.10 1le6 s GLU 116 Ca 0.34 1.29 -0.09 0.00 0.01 0.00 0.00 54.97 56.52 1le6 s GLU 116 Cb -0.22 -1.81 -0.04 0.00 -4.31 0.00 0.00 34.13 27.76 1le6 s GLU 116 CO 0.24 -2.19 1.43 -1.35 0.01 0.00 0.00 175.26 173.40 1le6 h PRO 117 N -1.53 0.81 -6.21 0.39 0.11 -1.96 -2.38 132.00 121.23 1le6 h PRO 117 Ca -0.44 -0.51 -0.56 0.00 0.11 0.00 0.00 66.00 64.60 1le6 h PRO 117 Cb 1.25 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.38 1le6 h PRO 117 CO 0.47 1.14 0.05 -0.51 -0.21 0.00 0.00 178.00 178.94 1le6 s ASP 118 N -6.94 7.09 0.30 -2.05 -0.00 -1.26 -4.45 116.67 109.36 1le6 s ASP 118 Ca -0.10 1.30 0.10 0.00 -0.00 0.00 0.00 52.55 53.86 1le6 s ASP 118 Cb 0.10 -2.40 -0.06 0.00 -0.00 0.00 0.00 42.92 40.56 1le6 s ASP 118 CO 0.88 0.12 -0.15 -0.44 -0.00 0.00 0.00 175.17 175.58 1le6 s SER 119 N -0.40 3.56 0.75 0.27 0.01 -1.26 -3.09 113.70 113.55 1le6 s SER 119 Ca 0.33 -1.11 -0.14 0.00 1.31 0.00 0.00 55.95 56.35 1le6 s SER 119 Cb -0.20 -0.31 0.05 0.00 0.21 0.00 0.00 66.02 65.78 1le6 s SER 119 CO 0.20 -0.09 1.17 -2.84 0.41 0.00 0.00 173.24 172.09 1le6 s PRO 120 N -3.57 2.06 0.28 12.44 0.02 -1.26 -4.96 135.00 140.02 1le6 s PRO 120 Ca 0.31 1.61 -0.28 0.00 0.02 0.00 0.00 61.00 62.65 1le6 s PRO 120 Cb -0.01 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.57 1le6 s PRO 120 CO 0.15 -1.86 0.98 0.21 -0.33 0.00 0.00 177.00 176.15 1le6 s LYS 121 N -4.16 4.68 0.15 5.54 2.20 -1.26 -5.02 119.74 121.87 1le6 s LYS 121 Ca 0.71 1.51 -0.30 0.00 -0.36 0.00 0.00 55.97 57.53 1le6 s LYS 121 Cb -0.25 -3.07 -0.07 0.00 -1.51 0.00 0.00 37.83 32.92 1le6 s LYS 121 CO 0.48 0.34 1.08 0.00 -0.36 0.00 0.00 175.35 176.88