#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwb h THR 3 N 0.00 0.66 -0.91 6.66 1.35 -2.06 -3.04 112.91 115.57 1mwb h THR 3 Ca 0.00 -1.10 0.07 0.00 -0.55 0.00 0.00 66.41 64.83 1mwb h THR 3 Cb 0.00 1.72 -0.07 0.00 -1.73 0.00 0.00 68.15 68.07 1mwb h THR 3 CO 0.00 0.24 0.57 0.25 -0.25 0.00 0.00 175.52 176.33 1mwb h LEU 4 N 0.00 0.89 -1.12 3.87 5.85 -2.06 -0.65 115.31 122.08 1mwb h LEU 4 Ca -0.00 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1mwb h LEU 4 Cb 0.70 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1mwb h LEU 4 CO 0.03 0.55 -0.22 1.88 -0.34 0.00 0.00 178.44 180.35 1mwb h TYR 5 N 1.02 0.38 -0.85 1.25 0.05 -1.97 -2.73 116.97 114.12 1mwb h TYR 5 Ca 0.40 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.12 1mwb h TYR 5 Cb 0.21 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 1mwb h TYR 5 CO -0.02 0.55 0.54 1.49 -1.05 0.00 0.00 178.16 179.67 1mwb h GLU 6 N 0.32 1.14 0.01 4.88 4.57 -1.20 1.26 114.58 125.55 1mwb h GLU 6 Ca 0.05 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1mwb h GLU 6 Cb 0.57 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1mwb h GLU 6 CO 0.04 0.77 -0.00 -0.22 -1.18 0.00 0.00 179.01 178.42 1mwb h LYS 7 N 1.16 -0.01 -0.12 1.92 3.64 -1.18 -2.97 116.57 119.01 1mwb h LYS 7 Ca 0.31 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.49 1mwb h LYS 7 Cb -0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1mwb h LYS 7 CO -0.06 0.05 -0.75 -0.07 -2.27 0.00 0.00 179.45 176.35 1mwb h LEU 8 N -0.07 0.74 0.00 5.20 -0.00 -1.45 -3.47 115.31 116.25 1mwb h LEU 8 Ca -0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1mwb h LEU 8 Cb 0.07 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 1mwb h LEU 8 CO 0.00 1.25 0.00 0.61 -0.00 0.00 0.00 178.44 180.30 1mwb n GLY 9 N 0.62 1.90 1.09 0.83 0.00 0.43 -4.95 105.19 105.12 1mwb n GLY 9 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1mwb n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwb n GLY 10 N -2.00 -1.71 2.61 -0.02 0.00 -1.21 -4.94 105.19 97.92 1mwb n GLY 10 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 1mwb n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mwb n THR 11 N -3.51 0.00 0.11 2.61 -2.24 -1.26 -4.97 114.28 105.02 1mwb n THR 11 Ca -0.03 -1.88 0.04 0.00 -2.27 0.00 0.00 64.05 59.90 1mwb n THR 11 Cb 0.58 0.75 0.20 0.00 -2.10 0.00 0.00 70.33 69.75 1mwb n THR 11 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mwb n THR 12 N -0.66 0.66 -0.15 4.28 -2.24 -1.26 0.05 114.28 114.96 1mwb n THR 12 Ca -0.02 0.66 -0.08 0.00 -2.27 0.00 0.00 64.05 62.35 1mwb n THR 12 Cb 0.48 -1.66 0.01 0.00 -2.10 0.00 0.00 70.33 67.05 1mwb n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mwb h ALA 13 N 0.99 0.58 -0.29 6.98 0.00 -1.99 0.40 119.26 125.94 1mwb h ALA 13 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1mwb h ALA 13 Cb 0.67 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1mwb h ALA 13 CO 0.00 0.12 0.01 0.28 0.00 0.00 0.00 179.25 179.65 1mwb h VAL 14 N 0.59 1.25 -0.61 0.00 2.07 -0.77 -2.82 116.25 115.96 1mwb h VAL 14 Ca 0.16 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1mwb h VAL 14 Cb 0.07 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1mwb h VAL 14 CO -0.02 0.29 0.25 0.44 0.02 0.00 0.00 177.57 178.55 1mwb h ASP 15 N 0.29 0.82 -0.98 0.57 3.32 -1.53 -2.38 116.42 116.53 1mwb h ASP 15 Ca 0.08 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.08 1mwb h ASP 15 Cb 0.42 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1mwb h ASP 15 CO 0.01 0.73 0.64 0.25 -1.72 0.00 0.00 179.24 179.15 1mwb h LEU 16 N 0.88 1.03 -0.65 1.55 6.46 0.02 -0.68 115.31 123.91 1mwb h LEU 16 Ca 0.21 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1mwb h LEU 16 Cb 0.17 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1mwb h LEU 16 CO -0.02 0.67 0.29 0.00 -0.62 0.00 0.00 178.44 178.76 1mwb h ALA 17 N 1.46 0.85 -0.31 1.25 0.00 -1.19 -0.57 119.26 120.74 1mwb h ALA 17 Ca 0.41 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1mwb h ALA 17 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1mwb h ALA 17 CO -0.15 0.43 -0.02 0.28 0.00 0.00 0.00 179.25 179.79 1mwb h VAL 18 N 0.91 1.26 -0.33 0.00 2.07 -1.24 -0.23 116.25 118.70 1mwb h VAL 18 Ca 0.22 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1mwb h VAL 18 Cb 0.16 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1mwb h VAL 18 CO -0.02 0.32 0.18 -0.78 0.02 0.00 0.00 177.57 177.28 1mwb h ASP 19 N 0.34 0.41 -0.24 0.57 3.58 -0.97 0.51 116.42 120.62 1mwb h ASP 19 Ca 0.08 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1mwb h ASP 19 Cb 0.47 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1mwb h ASP 19 CO 0.02 0.39 0.05 0.50 -2.88 0.00 0.00 179.24 177.31 1mwb h LYS 20 N 0.41 0.39 -0.91 0.28 3.64 -1.07 -2.59 116.57 116.71 1mwb h LYS 20 Ca 0.12 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1mwb h LYS 20 Cb 0.07 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 1mwb h LYS 20 CO -0.02 0.51 0.60 0.35 -2.27 0.00 0.00 179.45 178.62 1mwb h PHE 21 N 0.20 1.13 -0.56 1.91 3.57 -0.89 -1.48 116.94 120.82 1mwb h PHE 21 Ca 0.07 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1mwb h PHE 21 Cb 0.31 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1mwb h PHE 21 CO 0.02 0.68 0.31 -0.92 -2.23 0.00 0.00 178.31 176.18 1mwb h TYR 22 N 1.20 0.58 -0.38 0.41 3.20 -0.71 -2.38 116.97 118.89 1mwb h TYR 22 Ca 0.35 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.11 1mwb h TYR 22 Cb -0.08 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 1mwb h TYR 22 CO -0.01 0.31 -0.28 0.93 -1.64 0.00 0.00 178.16 177.47 1mwb h GLU 23 N 0.61 0.79 -0.86 1.82 5.08 -1.04 -3.08 114.58 117.91 1mwb h GLU 23 Ca 0.23 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1mwb h GLU 23 Cb 0.08 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1mwb h GLU 23 CO -0.13 0.97 0.55 0.00 -1.00 0.00 0.00 179.01 179.40 1mwb h ARG 24 N 0.68 1.14 -0.22 2.33 2.47 -0.85 0.27 114.38 120.20 1mwb h ARG 24 Ca 0.08 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1mwb h ARG 24 Cb 0.81 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1mwb h ARG 24 CO 0.07 0.77 0.07 0.28 0.56 0.00 0.00 179.97 181.72 1mwb h VAL 25 N 1.17 1.18 -0.37 2.04 2.07 -1.36 -1.57 116.25 119.42 1mwb h VAL 25 Ca 0.31 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 1mwb h VAL 25 Cb -0.10 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1mwb h VAL 25 CO -0.06 0.18 -0.21 -0.07 0.02 0.00 0.00 177.57 177.42 1mwb h LEU 26 N 0.19 0.73 -1.56 2.57 3.38 -1.41 -2.73 115.31 116.47 1mwb h LEU 26 Ca 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1mwb h LEU 26 Cb 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1mwb h LEU 26 CO -0.00 0.93 0.17 -0.61 0.09 0.00 0.00 178.44 179.01 1mwb h GLN 27 N 0.63 0.46 -6.33 1.13 5.75 -0.23 -3.39 115.11 113.13 1mwb h GLN 27 Ca 0.09 -0.04 -0.54 0.00 -0.15 0.00 0.00 58.65 58.01 1mwb h GLN 27 Cb 0.70 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.10 1mwb h GLN 27 CO 0.05 0.35 1.14 0.34 -2.65 0.00 0.00 178.83 178.07 1mwb s ASP 28 N -6.75 5.99 0.43 -0.69 2.15 -0.61 -4.86 116.67 112.33 1mwb s ASP 28 Ca -0.08 0.25 0.10 0.00 0.43 0.00 0.00 52.55 53.26 1mwb s ASP 28 Cb 0.17 -2.54 0.95 0.00 -0.30 0.00 0.00 42.92 41.20 1mwb s ASP 28 CO 0.73 -1.83 2.04 -0.78 -0.17 0.00 0.00 175.17 175.16 1mwb h ASP 29 N 11.63 0.26 -0.78 -0.34 3.58 -1.84 0.45 116.42 129.38 1mwb h ASP 29 Ca -0.27 -0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.27 1mwb h ASP 29 Cb 1.10 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 42.01 1mwb h ASP 29 CO 1.19 0.26 0.40 0.03 -2.88 0.00 0.00 179.24 178.24 1mwb h ARG 30 N 0.30 0.64 -0.01 0.28 3.08 -1.93 -2.69 114.38 114.03 1mwb h ARG 30 Ca 0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1mwb h ARG 30 Cb 0.09 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1mwb h ARG 30 CO -0.01 0.42 -0.20 0.44 -1.07 0.00 0.00 179.97 179.55 1mwb n ILE 31 N -4.84 0.00 -0.12 2.04 -5.35 -1.07 -4.52 119.36 105.50 1mwb n ILE 31 Ca 0.13 -0.40 0.08 0.00 -0.27 0.00 0.00 62.75 62.29 1mwb n ILE 31 Cb 0.32 1.22 0.41 0.00 -1.74 0.00 0.00 39.64 39.84 1mwb n ILE 31 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1mwb h LYS 32 N 2.03 0.60 -0.85 6.28 3.64 -0.56 -1.37 116.57 126.35 1mwb h LYS 32 Ca 0.00 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1mwb h LYS 32 Cb 0.53 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 1mwb h LYS 32 CO 0.00 0.40 0.55 1.12 -2.27 0.00 0.00 179.45 179.25 1mwb h HIS 33 N 0.62 0.77 -0.66 1.91 2.07 -1.79 0.58 115.15 118.64 1mwb h HIS 33 Ca 0.27 0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.77 1mwb h HIS 33 Cb 0.28 -0.25 -0.03 0.00 2.57 0.00 0.00 27.41 29.98 1mwb h HIS 33 CO -0.00 0.31 0.23 0.74 -3.07 0.00 0.00 177.93 176.15 1mwb h PHE 34 N 0.68 1.01 -0.61 6.12 0.04 -1.57 -2.31 116.94 120.30 1mwb h PHE 34 Ca 0.41 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 61.11 1mwb h PHE 34 Cb 0.64 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1mwb h PHE 34 CO -0.00 0.79 0.00 1.19 -0.60 0.00 0.00 178.31 179.69 1mwb n PHE 35 N -4.29 0.81 -0.24 -0.55 3.72 0.40 -4.40 117.46 112.92 1mwb n PHE 35 Ca 0.06 -0.41 0.07 0.00 -0.05 0.00 0.00 57.45 57.12 1mwb n PHE 35 Cb 0.20 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 39.06 1mwb n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mwb h ALA 36 N 4.17 1.67 -2.62 4.37 0.00 0.62 -3.33 119.26 124.13 1mwb h ALA 36 Ca 0.00 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1mwb h ALA 36 Cb 0.84 -0.20 -0.39 0.00 0.00 0.00 0.00 17.79 18.04 1mwb h ALA 36 CO 0.00 0.18 -0.85 -0.51 0.00 0.00 0.00 179.25 178.07 1mwb s ASP 37 N -6.06 2.84 -0.14 0.00 1.01 -1.26 -5.09 116.67 107.97 1mwb s ASP 37 Ca -0.10 -2.46 -0.12 0.00 0.71 0.00 0.00 52.55 50.57 1mwb s ASP 37 Cb 0.20 -0.54 0.04 0.00 1.01 0.00 0.00 42.92 43.63 1mwb s ASP 37 CO 0.78 -0.27 0.36 -0.69 0.21 0.00 0.00 175.17 175.56 1mwb s VAL 38 N 0.70 -0.00 0.28 -1.27 1.01 -1.25 -5.12 120.40 114.75 1mwb s VAL 38 Ca 0.21 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1mwb s VAL 38 Cb -0.18 -0.51 -0.10 0.00 0.00 0.00 0.00 36.38 35.59 1mwb s VAL 38 CO -0.03 0.00 1.33 1.51 0.00 0.00 0.00 175.10 177.91 1mwb s ASP 39 N 0.28 6.78 0.47 3.32 1.47 -1.26 -4.90 116.67 122.83 1mwb s ASP 39 Ca -0.01 2.62 0.15 0.00 1.18 0.00 0.00 52.55 56.49 1mwb s ASP 39 Cb -0.03 -2.63 1.13 0.00 -0.34 0.00 0.00 42.92 41.04 1mwb s ASP 39 CO -0.00 -0.56 2.07 0.24 0.68 0.00 0.00 175.17 177.59 1mwb h MET 40 N 4.19 0.23 -0.12 2.11 2.86 -2.00 -2.74 114.93 119.45 1mwb h MET 40 Ca -0.47 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1mwb h MET 40 Cb 1.22 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.78 1mwb h MET 40 CO 0.71 0.15 -0.18 0.00 1.06 0.00 0.00 176.91 178.65 1mwb h ALA 41 N 1.83 -0.12 -0.74 6.32 0.00 -2.00 -0.09 119.26 124.45 1mwb h ALA 41 Ca 0.13 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1mwb h ALA 41 Cb 0.24 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1mwb h ALA 41 CO -0.03 -0.63 0.24 0.87 0.00 0.00 0.00 179.25 179.71 1mwb h LYS 42 N -0.23 1.15 -0.94 0.00 1.57 -1.88 -2.79 116.57 113.45 1mwb h LYS 42 Ca 0.10 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1mwb h LYS 42 Cb 0.36 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 1mwb h LYS 42 CO -0.26 0.97 0.58 1.96 -0.57 0.00 0.00 179.45 182.13 1mwb h GLN 43 N 1.10 1.28 -0.72 3.15 4.20 -1.28 0.27 115.11 123.11 1mwb h GLN 43 Ca 0.24 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.89 1mwb h GLN 43 Cb 0.29 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 1mwb h GLN 43 CO -0.01 0.89 0.44 -0.09 -0.67 0.00 0.00 178.83 179.38 1mwb h ARG 44 N 1.30 0.81 0.04 1.46 2.43 -0.75 0.14 114.38 119.81 1mwb h ARG 44 Ca 0.34 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 59.23 1mwb h ARG 44 Cb -0.07 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1mwb h ARG 44 CO -0.06 0.53 -0.94 0.00 -1.51 0.00 0.00 179.97 177.99 1mwb h ALA 45 N 1.34 0.06 0.07 2.80 0.00 -1.36 -2.70 119.26 119.46 1mwb h ALA 45 Ca 0.31 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1mwb h ALA 45 Cb 0.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1mwb h ALA 45 CO -0.14 0.55 -0.03 1.25 0.00 0.00 0.00 179.25 180.88 1mwb h HIS 46 N 0.14 -0.08 -0.81 0.00 -0.00 -0.18 0.13 115.15 114.36 1mwb h HIS 46 Ca -0.13 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.21 1mwb h HIS 46 Cb 1.63 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 29.03 1mwb h HIS 46 CO 0.13 -0.03 0.37 1.96 -0.00 0.00 0.00 177.93 180.37 1mwb h GLN 47 N -0.11 1.17 -0.64 5.26 1.08 -0.84 -1.38 115.11 119.64 1mwb h GLN 47 Ca -0.01 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 1mwb h GLN 47 Cb 0.09 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1mwb h GLN 47 CO 0.01 0.90 0.32 -0.22 -0.95 0.00 0.00 178.83 178.90 1mwb h LYS 48 N 1.15 0.92 -0.49 1.46 3.64 -1.18 -2.50 116.57 119.57 1mwb h LYS 48 Ca 0.28 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1mwb h LYS 48 Cb 0.13 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1mwb h LYS 48 CO -0.03 0.72 -0.02 0.00 -2.27 0.00 0.00 179.45 177.85 1mwb h ALA 49 N 1.15 1.05 -0.42 5.00 0.00 -0.55 -2.66 119.26 122.83 1mwb h ALA 49 Ca 0.22 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1mwb h ALA 49 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1mwb h ALA 49 CO -0.03 0.59 0.25 0.35 0.00 0.00 0.00 179.25 180.41 1mwb h PHE 50 N 0.76 0.48 -0.49 0.00 3.57 -0.85 0.14 116.94 120.56 1mwb h PHE 50 Ca 0.14 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1mwb h PHE 50 Cb 0.48 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1mwb h PHE 50 CO 0.03 0.28 0.29 1.25 -2.23 0.00 0.00 178.31 177.92 1mwb h LEU 51 N 0.51 0.60 -0.60 0.59 6.46 -1.29 -0.75 115.31 120.84 1mwb h LEU 51 Ca 0.17 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1mwb h LEU 51 Cb -0.00 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.75 1mwb h LEU 51 CO -0.07 0.50 0.21 0.74 -0.62 0.00 0.00 178.44 179.20 1mwb h THR 52 N 0.65 1.24 -0.82 1.05 2.02 -1.11 -2.69 112.91 113.26 1mwb h THR 52 Ca 0.17 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1mwb h THR 52 Cb 0.02 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1mwb h THR 52 CO -0.03 0.30 0.35 0.22 0.37 0.00 0.00 175.52 176.72 1mwb h TYR 53 N 0.85 1.22 -0.21 3.16 3.20 -0.38 -2.38 116.97 122.42 1mwb h TYR 53 Ca 0.20 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1mwb h TYR 53 Cb 0.25 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1mwb h TYR 53 CO 0.01 0.91 -0.06 0.00 -1.64 0.00 0.00 178.16 177.39 1mwb h ALA 54 N 1.19 1.51 -0.12 1.82 0.00 -0.90 2.48 119.26 125.23 1mwb h ALA 54 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1mwb h ALA 54 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1mwb h ALA 54 CO -0.03 0.35 0.00 1.19 0.00 0.00 0.00 179.25 180.77 1mwb n PHE 55 N -4.30 0.15 -2.58 0.00 3.01 -0.97 -4.36 117.46 108.40 1mwb n PHE 55 Ca 0.00 -0.08 -0.02 0.00 1.01 0.00 0.00 57.45 58.37 1mwb n PHE 55 Cb 0.24 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.73 1mwb n PHE 55 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mwb n GLY 56 N 1.13 -0.32 0.00 1.37 0.00 -0.70 -4.96 105.19 101.70 1mwb n GLY 56 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1mwb n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwb n GLY 57 N -0.43 -0.53 3.70 -0.02 0.00 0.83 -4.78 105.19 103.95 1mwb n GLY 57 Ca -0.11 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1mwb n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mwb s THR 58 N -2.00 1.85 0.34 2.61 -4.23 -1.26 -4.84 115.64 108.12 1mwb s THR 58 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1mwb s THR 58 Cb 0.00 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1mwb s THR 58 CO 0.01 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.56 1mwb n ASP 59 N -4.26 -9.40 -4.74 3.99 8.00 -1.26 -4.81 116.55 104.07 1mwb n ASP 59 Ca 0.09 1.41 -0.42 0.00 0.71 0.00 0.00 54.79 56.58 1mwb n ASP 59 Cb 0.59 -5.20 -0.02 0.00 -0.02 0.00 0.00 41.12 36.46 1mwb n ASP 59 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1mwb s LYS 60 N -1.63 4.20 -0.18 -1.24 2.20 -1.26 -5.00 119.74 116.84 1mwb s LYS 60 Ca 0.00 2.42 -0.06 0.00 -0.36 0.00 0.00 55.97 57.97 1mwb s LYS 60 Cb 0.00 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 1mwb s LYS 60 CO 0.00 -0.55 0.03 -0.47 -0.36 0.00 0.00 175.35 174.01 1mwb s TYR 61 N 0.34 3.17 -0.38 4.03 5.04 -1.26 -5.07 117.35 123.22 1mwb s TYR 61 Ca 0.64 -0.08 -0.26 0.00 -2.44 0.00 0.00 57.07 54.93 1mwb s TYR 61 Cb -0.45 -2.06 0.02 0.00 0.35 0.00 0.00 41.96 39.82 1mwb s TYR 61 CO 0.41 0.05 0.92 0.34 -1.34 0.00 0.00 175.55 175.94 1mwb s ASP 62 N 0.49 6.65 -0.37 4.32 2.15 -1.26 -4.88 116.67 123.76 1mwb s ASP 62 Ca 0.01 0.52 -0.02 0.00 0.43 0.00 0.00 52.55 53.49 1mwb s ASP 62 Cb -0.13 -2.46 0.24 0.00 -0.30 0.00 0.00 42.92 40.27 1mwb s ASP 62 CO 0.01 -0.88 1.10 0.61 -0.17 0.00 0.00 175.17 175.84 1mwb n GLY 63 N 4.46 -1.39 0.36 2.66 0.00 -1.26 -4.99 105.19 105.03 1mwb n GLY 63 Ca 0.07 0.93 0.19 0.00 0.00 0.00 0.00 46.02 47.20 1mwb n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mwb h ARG 64 N 3.76 0.00 -0.94 1.61 3.08 -2.01 -0.30 114.38 119.57 1mwb h ARG 64 Ca -0.13 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.04 1mwb h ARG 64 Cb 1.16 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.13 1mwb h ARG 64 CO -0.08 0.00 0.57 -0.92 -1.07 0.00 0.00 179.97 178.48 1mwb h TYR 65 N 0.00 1.04 -0.83 3.04 5.03 -1.99 -0.89 116.97 122.36 1mwb h TYR 65 Ca 0.19 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.54 1mwb h TYR 65 Cb 0.83 -0.32 -0.04 0.00 1.55 0.00 0.00 36.73 38.75 1mwb h TYR 65 CO 0.00 0.40 0.54 0.52 -1.32 0.00 0.00 178.16 178.31 1mwb h MET 66 N 0.91 1.07 -0.55 1.82 0.00 -1.47 -1.23 114.93 115.49 1mwb h MET 66 Ca 0.47 -0.06 -0.11 0.00 0.00 0.00 0.00 59.70 59.99 1mwb h MET 66 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 31.60 31.81 1mwb h MET 66 CO -0.27 0.71 -0.09 0.00 0.00 0.00 0.00 176.91 177.26 1mwb h ARG 67 N 1.10 1.02 -0.75 1.72 3.08 -1.30 0.11 114.38 119.37 1mwb h ARG 67 Ca 0.31 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1mwb h ARG 67 Cb -0.10 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1mwb h ARG 67 CO -0.08 1.06 0.43 1.49 -1.07 0.00 0.00 179.97 181.80 1mwb h GLU 68 N 0.90 1.04 0.09 0.04 4.81 -0.67 0.32 114.58 121.11 1mwb h GLU 68 Ca 0.14 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1mwb h GLU 68 Cb 0.65 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1mwb h GLU 68 CO 0.05 0.76 -0.04 0.00 -0.73 0.00 0.00 179.01 179.04 1mwb h ALA 69 N 1.22 -0.12 -0.85 2.92 0.00 -1.12 -3.13 119.26 118.18 1mwb h ALA 69 Ca 0.27 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mwb h ALA 69 Cb 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1mwb h ALA 69 CO -0.05 -0.18 0.52 0.45 0.00 0.00 0.00 179.25 179.99 1mwb h HIS 70 N -0.90 1.11 -0.77 0.00 3.86 -0.77 -2.41 115.15 115.27 1mwb h HIS 70 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1mwb h HIS 70 Cb 0.56 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 1mwb h HIS 70 CO 0.12 0.74 0.43 1.57 0.86 0.00 0.00 177.93 181.65 1mwb h LYS 71 N 1.16 1.06 -0.90 2.45 2.10 -0.49 -0.97 116.57 120.97 1mwb h LYS 71 Ca 0.30 -0.11 0.13 0.00 -2.00 0.00 0.00 60.65 58.97 1mwb h LYS 71 Cb -0.06 -0.21 -0.07 0.00 -0.90 0.00 0.00 32.23 30.99 1mwb h LYS 71 CO -0.06 0.77 0.58 1.49 -2.00 0.00 0.00 179.45 180.23 1mwb h GLU 72 N 1.07 0.76 -0.44 0.07 4.81 -1.37 0.14 114.58 119.62 1mwb h GLU 72 Ca 0.27 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1mwb h GLU 72 Cb 0.01 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1mwb h GLU 72 CO -0.05 0.50 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.59 1mwb h LEU 73 N 0.78 0.74 -0.74 1.64 3.38 -1.07 0.21 115.31 120.25 1mwb h LEU 73 Ca 0.45 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1mwb h LEU 73 Cb 0.61 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1mwb h LEU 73 CO -0.21 0.85 0.29 0.58 0.09 0.00 0.00 178.44 180.05 1mwb h VAL 74 N 0.69 1.25 0.07 1.22 2.07 -0.36 0.16 116.25 121.36 1mwb h VAL 74 Ca 0.12 -0.80 -0.19 0.00 0.82 0.00 0.00 66.70 66.66 1mwb h VAL 74 Cb 0.54 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1mwb h VAL 74 CO 0.03 0.32 -0.96 -0.33 0.02 0.00 0.00 177.57 176.65 1mwb h GLU 75 N 1.07 0.14 -0.16 1.57 4.39 -1.23 -2.25 114.58 118.11 1mwb h GLU 75 Ca 0.25 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1mwb h GLU 75 Cb 0.22 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1mwb h GLU 75 CO -0.02 1.11 -0.24 -0.91 -1.16 0.00 0.00 179.01 177.80 1mwb h ASN 76 N -0.63 0.48 0.00 1.42 -0.26 -0.62 -3.35 115.58 112.62 1mwb h ASN 76 Ca -0.22 -0.53 0.00 0.00 -0.56 0.00 0.00 56.30 54.99 1mwb h ASN 76 Cb 1.46 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.59 1mwb h ASN 76 CO -0.00 0.91 -1.28 1.41 -1.06 0.00 0.00 177.43 177.41 1mwb n HIS 77 N -4.44 0.00 -2.47 1.19 8.25 0.47 -5.01 115.22 113.21 1mwb n HIS 77 Ca -0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.36 1mwb n HIS 77 Cb 0.43 -0.18 0.02 0.00 1.12 0.00 0.00 29.99 31.38 1mwb n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mwb n GLY 78 N 1.43 0.48 3.72 -1.41 0.00 -0.66 -4.98 105.19 103.76 1mwb n GLY 78 Ca 0.01 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1mwb n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mwb s LEU 79 N -2.49 4.42 0.41 0.99 2.96 -1.15 -4.97 118.68 118.86 1mwb s LEU 79 Ca 0.05 2.00 0.04 0.00 -0.22 0.00 0.00 54.13 56.00 1mwb s LEU 79 Cb -0.02 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1mwb s LEU 79 CO 0.13 -0.33 0.14 0.54 -1.32 0.00 0.00 176.35 175.51 1mwb s ASN 80 N 0.54 2.83 0.46 3.68 4.22 -1.26 -4.64 114.94 120.77 1mwb s ASN 80 Ca 0.54 -1.70 0.15 0.00 -2.14 0.00 0.00 52.86 49.71 1mwb s ASN 80 Cb -0.28 0.54 1.12 0.00 1.28 0.00 0.00 41.25 43.91 1mwb s ASN 80 CO 0.31 -0.95 2.02 1.23 -2.04 0.00 0.00 177.10 177.67 1mwb h GLY 81 N 1.77 0.37 0.59 0.45 0.00 -1.99 -1.62 103.07 102.64 1mwb h GLY 81 Ca -0.35 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 46.95 1mwb h GLY 81 CO 0.56 0.08 0.44 -2.09 0.00 0.00 0.00 176.54 175.53 1mwb h GLU 82 N 0.28 0.75 -0.37 4.80 4.57 -1.99 0.32 114.58 122.95 1mwb h GLU 82 Ca 0.21 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1mwb h GLU 82 Cb 0.46 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1mwb h GLU 82 CO -0.04 0.50 0.11 0.45 -1.18 0.00 0.00 179.01 178.84 1mwb h HIS 83 N 0.77 0.61 -0.44 0.92 3.86 -1.70 -1.77 115.15 117.40 1mwb h HIS 83 Ca 0.36 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 1mwb h HIS 83 Cb 0.28 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1mwb h HIS 83 CO -0.07 0.59 0.25 0.35 0.86 0.00 0.00 177.93 179.91 1mwb h PHE 84 N 0.45 0.59 -0.81 2.45 3.57 -1.17 -2.38 116.94 119.63 1mwb h PHE 84 Ca 0.12 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1mwb h PHE 84 Cb 0.27 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 1mwb h PHE 84 CO 0.01 0.43 0.53 0.22 -2.23 0.00 0.00 178.31 177.28 1mwb h ASP 85 N 0.57 0.87 -0.55 0.41 3.58 -0.23 -1.19 116.42 119.89 1mwb h ASP 85 Ca 0.16 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 1mwb h ASP 85 Cb 0.03 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.85 1mwb h ASP 85 CO -0.03 0.61 0.27 0.00 -2.88 0.00 0.00 179.24 177.21 1mwb h ALA 86 N 1.52 0.70 -0.31 -0.78 0.00 -0.83 0.38 119.26 119.94 1mwb h ALA 86 Ca 0.32 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1mwb h ALA 86 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1mwb h ALA 86 CO -0.09 0.26 0.01 0.28 0.00 0.00 0.00 179.25 179.71 1mwb h VAL 87 N 0.73 1.25 -0.63 0.00 2.07 -1.02 -2.48 116.25 116.18 1mwb h VAL 87 Ca 0.19 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 1mwb h VAL 87 Cb 0.10 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1mwb h VAL 87 CO -0.03 0.30 0.04 0.00 0.02 0.00 0.00 177.57 177.91 1mwb h ALA 88 N 0.85 0.88 -0.88 1.67 0.00 -1.04 -2.73 119.26 118.01 1mwb h ALA 88 Ca 0.09 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1mwb h ALA 88 Cb 0.43 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1mwb h ALA 88 CO 0.01 0.67 0.58 1.49 0.00 0.00 0.00 179.25 182.00 1mwb h GLU 89 N 0.99 1.04 -0.80 0.00 4.57 -0.12 -1.38 114.58 118.88 1mwb h GLU 89 Ca 0.18 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1mwb h GLU 89 Cb 0.51 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 1mwb h GLU 89 CO 0.02 0.69 0.43 -0.44 -1.18 0.00 0.00 179.01 178.53 1mwb h ASP 90 N 1.07 0.99 -0.86 1.04 3.32 -1.14 -2.42 116.42 118.43 1mwb h ASP 90 Ca 0.36 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.38 1mwb h ASP 90 Cb 0.08 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.32 1mwb h ASP 90 CO -0.12 0.81 0.54 0.25 -1.72 0.00 0.00 179.24 179.00 1mwb h LEU 91 N 1.11 0.87 -1.07 1.55 5.85 -1.14 -1.62 115.31 120.86 1mwb h LEU 91 Ca 0.28 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 1mwb h LEU 91 Cb 0.04 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1mwb h LEU 91 CO -0.04 0.57 0.38 -0.07 -0.34 0.00 0.00 178.44 178.93 1mwb h LEU 92 N 1.01 0.93 -1.03 2.25 4.07 -1.30 -2.16 115.31 119.08 1mwb h LEU 92 Ca 0.37 -0.09 0.10 0.00 0.08 0.00 0.00 57.88 58.34 1mwb h LEU 92 Cb 0.12 -0.24 -0.08 0.00 1.08 0.00 0.00 40.66 41.55 1mwb h LEU 92 CO -0.16 0.76 0.63 0.00 -1.08 0.00 0.00 178.44 178.60 1mwb h ALA 93 N 1.39 1.49 -0.22 1.53 0.00 -1.14 0.61 119.26 122.91 1mwb h ALA 93 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1mwb h ALA 93 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mwb h ALA 93 CO -0.04 0.31 -0.01 1.15 0.00 0.00 0.00 179.25 180.65 1mwb h THR 94 N 1.06 1.26 -0.24 0.00 2.02 -1.26 -0.17 112.91 115.57 1mwb h THR 94 Ca 0.46 -0.93 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 1mwb h THR 94 Cb 0.36 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1mwb h THR 94 CO -0.22 0.29 -0.14 -0.07 0.37 0.00 0.00 175.52 175.75 1mwb h LEU 95 N 0.16 0.54 -0.95 2.58 3.38 -1.05 -2.83 115.31 117.14 1mwb h LEU 95 Ca 0.06 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1mwb h LEU 95 Cb 0.43 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1mwb h LEU 95 CO 0.01 0.84 0.17 0.11 0.09 0.00 0.00 178.44 179.67 1mwb h LYS 96 N 0.24 0.93 -0.83 1.13 1.57 0.19 -2.62 116.57 117.18 1mwb h LYS 96 Ca 0.05 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1mwb h LYS 96 Cb 0.65 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1mwb h LYS 96 CO 0.04 0.82 0.43 1.49 -0.57 0.00 0.00 179.45 181.65 1mwb h GLU 97 N 0.90 1.17 -0.12 3.15 4.81 -0.97 -1.94 114.58 121.58 1mwb h GLU 97 Ca 0.20 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1mwb h GLU 97 Cb 0.29 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1mwb h GLU 97 CO -0.00 0.88 -0.09 0.52 -0.73 0.00 0.00 179.01 179.58 1mwb h MET 98 N 1.16 0.18 0.00 1.92 2.86 -1.22 -3.46 114.93 116.37 1mwb h MET 98 Ca 0.29 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1mwb h MET 98 Cb 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1mwb h MET 98 CO -0.04 0.28 0.00 0.41 1.06 0.00 0.00 176.91 178.62 1mwb n GLY 99 N -1.04 0.97 3.73 8.32 0.00 -0.73 -5.06 105.19 111.39 1mwb n GLY 99 Ca -0.01 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1mwb n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mwb n VAL 100 N -2.05 1.24 -1.53 1.61 0.31 -1.15 -4.89 118.33 111.87 1mwb n VAL 100 Ca 0.00 -0.31 -0.40 0.00 -0.01 0.00 0.00 64.34 63.62 1mwb n VAL 100 Cb 0.00 -1.81 0.02 0.00 -0.91 0.00 0.00 33.84 31.14 1mwb n VAL 100 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1mwb n PRO 101 N 1.73 0.84 0.10 5.55 -0.04 -1.26 -4.79 135.00 137.13 1mwb n PRO 101 Ca 0.08 0.31 0.02 0.00 -0.04 0.00 0.00 63.50 63.88 1mwb n PRO 101 Cb 0.36 -1.83 0.39 0.00 -0.04 0.00 0.00 33.50 32.38 1mwb n PRO 101 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1mwb h GLU 102 N 0.82 0.28 -0.69 0.54 4.11 -1.99 -2.42 114.58 115.24 1mwb h GLU 102 Ca -0.44 -0.06 0.05 0.00 0.07 0.00 0.00 59.36 58.98 1mwb h GLU 102 Cb 1.37 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 1mwb h GLU 102 CO 0.52 0.38 0.40 0.22 0.07 0.00 0.00 179.01 180.59 1mwb h ASP 103 N 0.27 0.61 -0.27 3.06 3.58 -1.99 0.57 116.42 122.26 1mwb h ASP 103 Ca 0.06 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.40 1mwb h ASP 103 Cb 0.32 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 1mwb h ASP 103 CO 0.02 0.40 -0.35 -0.07 -2.88 0.00 0.00 179.24 176.35 1mwb h LEU 104 N 0.74 0.77 -1.10 2.28 -0.00 -1.82 -2.90 115.31 113.28 1mwb h LEU 104 Ca 0.30 -0.50 -0.05 0.00 -0.00 0.00 0.00 57.88 57.63 1mwb h LEU 104 Cb 0.15 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.57 1mwb h LEU 104 CO -0.17 1.12 0.05 0.40 -0.00 0.00 0.00 178.44 179.84 1mwb h ILE 105 N 0.44 1.22 -0.70 1.22 2.04 -0.94 -1.97 117.51 118.81 1mwb h ILE 105 Ca 0.03 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1mwb h ILE 105 Cb 0.94 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1mwb h ILE 105 CO 0.08 0.30 0.39 0.00 0.00 0.00 0.00 178.15 178.92 1mwb h ALA 106 N 1.40 0.90 -0.49 1.87 0.00 0.21 0.15 119.26 123.30 1mwb h ALA 106 Ca 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1mwb h ALA 106 Cb 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1mwb h ALA 106 CO 0.01 0.40 -0.11 0.93 0.00 0.00 0.00 179.25 180.48 1mwb h GLU 107 N 0.96 0.91 -0.34 0.00 5.08 -1.27 0.58 114.58 120.50 1mwb h GLU 107 Ca 0.25 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1mwb h GLU 107 Cb 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1mwb h GLU 107 CO -0.04 0.97 -0.00 0.28 -1.00 0.00 0.00 179.01 179.22 1mwb h VAL 108 N 0.81 1.26 -0.19 3.13 2.07 -0.85 -2.63 116.25 119.85 1mwb h VAL 108 Ca 0.13 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 1mwb h VAL 108 Cb 0.64 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1mwb h VAL 108 CO 0.04 0.32 -0.32 0.00 0.02 0.00 0.00 177.57 177.64 1mwb h ALA 109 N 0.85 1.10 -0.81 1.67 0.00 -0.57 -2.98 119.26 118.53 1mwb h ALA 109 Ca 0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1mwb h ALA 109 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1mwb h ALA 109 CO 0.02 0.57 0.38 0.00 0.00 0.00 0.00 179.25 180.21 1mwb h ALA 110 N 1.33 1.15 -0.30 0.00 0.00 -0.69 0.72 119.26 121.46 1mwb h ALA 110 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1mwb h ALA 110 Cb 0.73 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1mwb h ALA 110 CO 0.06 0.64 0.14 0.28 0.00 0.00 0.00 179.25 180.37 1mwb h VAL 111 N 1.15 1.16 0.00 0.00 2.07 -1.31 -2.65 116.25 116.66 1mwb h VAL 111 Ca 0.28 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1mwb h VAL 111 Cb 0.13 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1mwb h VAL 111 CO -0.03 0.16 -0.38 0.00 0.02 0.00 0.00 177.57 177.34 1mwb h ALA 112 N 1.00 0.80 0.00 1.67 0.00 -1.46 -3.13 119.26 118.14 1mwb h ALA 112 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1mwb h ALA 112 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1mwb h ALA 112 CO -0.01 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1mwb n GLY 113 N 0.93 -0.81 3.64 0.00 0.00 0.25 -4.82 105.19 104.38 1mwb n GLY 113 Ca 0.02 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1mwb n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwb s ALA 114 N -2.00 3.29 0.57 4.61 0.00 -1.15 -4.84 121.76 122.24 1mwb s ALA 114 Ca 0.13 1.08 0.26 0.00 0.00 0.00 0.00 51.96 53.43 1mwb s ALA 114 Cb 0.06 -3.91 1.63 0.00 0.00 0.00 0.00 23.12 20.90 1mwb s ALA 114 CO 0.10 -1.97 2.19 -1.35 0.00 0.00 0.00 175.76 174.73 1mwb h PRO 115 N 11.96 0.00 -0.74 0.00 0.11 -1.93 -1.93 132.00 139.47 1mwb h PRO 115 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1mwb h PRO 115 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1mwb h PRO 115 CO 0.95 0.00 0.34 0.00 -0.21 0.00 0.00 178.00 179.08 1mwb h ALA 116 N 1.95 0.95 -0.88 -0.75 0.00 -1.97 -2.49 119.26 116.08 1mwb h ALA 116 Ca 0.03 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1mwb h ALA 116 Cb 0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1mwb h ALA 116 CO -0.00 0.53 0.58 0.45 0.00 0.00 0.00 179.25 180.81 1mwb h HIS 117 N 1.04 1.07 -0.65 0.00 3.86 -1.71 -1.80 115.15 116.96 1mwb h HIS 117 Ca 0.25 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.53 1mwb h HIS 117 Cb 0.14 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 1mwb h HIS 117 CO 0.01 0.63 0.43 0.87 0.86 0.00 0.00 177.93 180.74 1mwb h LYS 118 N 1.12 0.70 -0.88 2.45 1.57 -1.47 -1.79 116.57 118.27 1mwb h LYS 118 Ca 0.35 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.14 1mwb h LYS 118 Cb -0.01 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.08 1mwb h LYS 118 CO -0.10 0.47 0.55 0.00 -0.57 0.00 0.00 179.45 179.80 1mwb h ARG 119 N 0.72 0.99 -0.23 3.15 3.08 -1.27 2.21 114.38 123.04 1mwb h ARG 119 Ca 0.27 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1mwb h ARG 119 Cb 0.16 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1mwb h ARG 119 CO -0.08 0.65 0.02 0.22 -1.07 0.00 0.00 179.97 179.72 1mwb h ASP 120 N 1.02 0.38 -0.01 7.04 3.58 -1.38 -2.90 116.42 124.15 1mwb h ASP 120 Ca 0.38 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1mwb h ASP 120 Cb 0.15 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1mwb h ASP 120 CO -0.17 0.56 -0.05 0.58 -2.88 0.00 0.00 179.24 177.28 1mwb h VAL 121 N 0.18 1.56 -0.88 2.25 2.07 -1.11 -3.32 116.25 117.00 1mwb h VAL 121 Ca 0.07 -1.71 -0.57 0.00 0.82 0.00 0.00 66.70 65.31 1mwb h VAL 121 Cb 0.35 2.69 -0.13 0.00 -1.52 0.00 0.00 31.29 32.68 1mwb h VAL 121 CO 0.01 0.45 1.39 0.18 0.02 0.00 0.00 177.57 179.61 1mwb n LEU 122 N -4.70 7.14 -3.32 2.57 4.77 0.74 -4.49 117.00 119.71 1mwb n LEU 122 Ca -0.09 -4.31 -0.27 0.00 -0.03 0.00 0.00 56.01 51.31 1mwb n LEU 122 Cb 0.38 -1.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.08 1mwb n LEU 122 CO 0.35 1.89 1.59 0.59 -1.33 0.00 0.00 177.39 180.47 1mwb n ASN 123 N 1.62 1.57 -0.13 -1.43 3.02 -1.10 -4.72 115.26 114.11 1mwb n ASN 123 Ca 0.56 -2.35 0.15 0.00 -0.03 0.00 0.00 54.58 52.91 1mwb n ASN 123 Cb 0.45 -0.71 0.84 0.00 -0.61 0.00 0.00 39.78 39.75 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64