#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 1.06 -0.98 0.44 2.02 -2.07 -1.38 112.91 112.00 1mwb h THR 3 Ca 0.00 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.87 1mwb h THR 3 Cb 0.00 -0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 66.31 1mwb h THR 3 CO 0.00 0.19 0.64 -0.07 0.37 0.00 0.00 175.52 176.65 1mwb h LEU 4 N 1.02 1.07 -1.17 2.58 4.07 -2.07 -1.24 115.31 119.57 1mwb h LEU 4 Ca 0.39 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.27 1mwb h LEU 4 Cb 0.21 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1mwb h LEU 4 CO -0.15 0.73 -0.19 1.88 -1.08 0.00 0.00 178.44 179.64 1mwb h TYR 5 N 1.24 0.37 -0.79 1.13 0.05 -1.71 -2.66 116.97 114.60 1mwb h TYR 5 Ca 0.39 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 59.12 1mwb h TYR 5 Cb -0.00 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.60 1mwb h TYR 5 CO -0.00 0.52 0.52 1.49 -1.05 0.00 0.00 178.16 179.64 1mwb h GLU 6 N 0.31 1.02 -0.19 4.88 4.81 -0.82 0.28 114.58 124.89 1mwb h GLU 6 Ca 0.06 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1mwb h GLU 6 Cb 0.52 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1mwb h GLU 6 CO 0.03 0.68 0.11 -0.22 -0.73 0.00 0.00 179.01 178.88 1mwb h LYS 7 N 1.06 0.22 -0.16 1.92 3.64 -1.28 -2.35 116.57 119.62 1mwb h LYS 7 Ca 0.29 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1mwb h LYS 7 Cb -0.11 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1mwb h LYS 7 CO -0.07 0.15 -0.48 -0.07 -2.27 0.00 0.00 179.45 176.71 1mwb h LEU 8 N 0.23 0.45 0.00 5.20 3.38 -1.47 -3.47 115.31 119.64 1mwb h LEU 8 Ca 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1mwb h LEU 8 Cb -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1mwb h LEU 8 CO -0.04 0.87 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1mwb n GLY 9 N 0.07 3.26 0.82 0.83 0.00 0.96 -4.97 105.19 106.15 1mwb n GLY 9 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.55 -1.06 2.64 -0.02 0.00 -1.23 -4.92 105.19 99.06 1mwb n GLY 10 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1mwb n GLY 10 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1mwb n THR 11 N -2.69 0.00 0.18 2.61 5.66 -1.26 -4.98 114.28 113.80 1mwb n THR 11 Ca -0.01 -1.21 0.03 0.00 -3.05 0.00 0.00 64.05 59.81 1mwb n THR 11 Cb 0.58 0.82 0.15 0.00 -1.55 0.00 0.00 70.33 70.33 1mwb n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mwb h THR 12 N 1.77 0.00 -0.48 1.09 1.03 -2.00 0.47 112.91 114.80 1mwb h THR 12 Ca -0.22 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.16 1mwb h THR 12 Cb 0.91 0.12 -0.02 0.00 -1.07 0.00 0.00 68.15 68.10 1mwb h THR 12 CO 0.29 0.00 0.23 0.00 -0.01 0.00 0.00 175.52 176.04 1mwb h ALA 13 N 0.45 0.62 -0.34 0.00 0.00 -1.99 0.92 119.26 118.92 1mwb h ALA 13 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1mwb h ALA 13 Cb 1.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1mwb h ALA 13 CO 0.00 0.17 0.07 0.28 0.00 0.00 0.00 179.25 179.77 1mwb h VAL 14 N 0.63 1.23 -0.67 0.00 2.07 -0.43 -2.73 116.25 116.34 1mwb h VAL 14 Ca 0.16 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1mwb h VAL 14 Cb 0.11 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1mwb h VAL 14 CO -0.02 0.27 0.35 0.44 0.02 0.00 0.00 177.57 178.62 1mwb h ASP 15 N 0.39 0.85 -0.99 0.57 3.32 -1.56 -2.29 116.42 116.71 1mwb h ASP 15 Ca 0.10 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1mwb h ASP 15 Cb 0.33 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 1mwb h ASP 15 CO 0.00 0.70 0.65 0.25 -1.72 0.00 0.00 179.24 179.12 1mwb h LEU 16 N 0.95 1.08 -0.20 1.55 5.85 -0.53 0.26 115.31 124.27 1mwb h LEU 16 Ca 0.24 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1mwb h LEU 16 Cb 0.06 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1mwb h LEU 16 CO -0.03 0.73 -0.01 0.00 -0.34 0.00 0.00 178.44 178.79 1mwb h ALA 17 N 1.41 0.27 -0.26 1.25 0.00 -1.15 -0.73 119.26 120.04 1mwb h ALA 17 Ca 0.40 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1mwb h ALA 17 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1mwb h ALA 17 CO -0.13 -0.00 -0.07 0.28 0.00 0.00 0.00 179.25 179.33 1mwb h VAL 18 N 0.10 1.28 -0.36 0.00 2.07 -1.17 -0.23 116.25 117.95 1mwb h VAL 18 Ca 0.05 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 1mwb h VAL 18 Cb 0.41 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1mwb h VAL 18 CO 0.01 0.34 0.21 -0.78 0.02 0.00 0.00 177.57 177.37 1mwb h ASP 19 N 0.25 0.44 -0.29 0.57 3.58 -0.49 0.13 116.42 120.61 1mwb h ASP 19 Ca 0.07 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1mwb h ASP 19 Cb 0.54 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1mwb h ASP 19 CO 0.03 0.38 0.04 0.50 -2.88 0.00 0.00 179.24 177.31 1mwb h LYS 20 N 0.47 0.48 -0.87 0.28 3.64 -1.11 -2.95 116.57 116.50 1mwb h LYS 20 Ca 0.13 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1mwb h LYS 20 Cb 0.03 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1mwb h LYS 20 CO -0.02 0.59 0.49 0.35 -2.27 0.00 0.00 179.45 178.59 1mwb h PHE 21 N 0.29 1.18 -0.80 1.91 3.57 -0.85 -2.52 116.94 119.72 1mwb h PHE 21 Ca 0.09 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1mwb h PHE 21 Cb 0.34 -0.38 -0.07 0.00 2.79 0.00 0.00 35.95 38.63 1mwb h PHE 21 CO 0.02 0.80 0.46 -0.92 -2.23 0.00 0.00 178.31 176.45 1mwb h TYR 22 N 1.21 0.84 -0.28 0.41 3.20 -0.58 -1.23 116.97 120.54 1mwb h TYR 22 Ca 0.31 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.13 1mwb h TYR 22 Cb 0.00 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1mwb h TYR 22 CO 0.01 0.37 -0.15 0.93 -1.64 0.00 0.00 178.16 177.67 1mwb h GLU 23 N 0.80 0.49 -0.71 1.82 5.08 -1.31 -2.84 114.58 117.91 1mwb h GLU 23 Ca 0.38 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1mwb h GLU 23 Cb 0.31 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1mwb h GLU 23 CO -0.23 0.64 0.47 0.00 -1.00 0.00 0.00 179.01 178.89 1mwb h ARG 24 N 0.45 0.81 -0.07 2.33 2.47 -1.00 -1.03 114.38 118.34 1mwb h ARG 24 Ca 0.08 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 1mwb h ARG 24 Cb 0.53 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1mwb h ARG 24 CO 0.03 0.54 -0.11 0.28 0.56 0.00 0.00 179.97 181.27 1mwb h VAL 25 N 0.84 1.40 -0.56 2.04 2.07 -1.34 -2.55 116.25 118.14 1mwb h VAL 25 Ca 0.29 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 1mwb h VAL 25 Cb 0.10 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1mwb h VAL 25 CO -0.08 0.38 0.02 -0.07 0.02 0.00 0.00 177.57 177.84 1mwb h LEU 26 N -0.26 0.96 -1.21 2.57 3.38 -1.45 -2.85 115.31 116.44 1mwb h LEU 26 Ca 0.01 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1mwb h LEU 26 Cb 0.67 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1mwb h LEU 26 CO 0.03 1.02 -0.28 0.06 0.09 0.00 0.00 178.44 179.36 1mwb h GLN 27 N 0.86 0.00 -6.29 1.13 3.07 -1.28 -3.41 115.11 109.20 1mwb h GLN 27 Ca 0.16 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.37 1mwb h GLN 27 Cb 0.51 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.01 1mwb h GLN 27 CO 0.02 0.28 1.13 0.34 0.09 0.00 0.00 178.83 180.69 1mwb s ASP 28 N -6.34 5.96 0.44 0.06 2.15 -0.96 -4.84 116.67 113.13 1mwb s ASP 28 Ca -0.01 -0.12 0.12 0.00 0.43 0.00 0.00 52.55 52.97 1mwb s ASP 28 Cb 0.11 -2.55 0.97 0.00 -0.30 0.00 0.00 42.92 41.16 1mwb s ASP 28 CO 0.65 -1.93 2.01 -0.78 -0.17 0.00 0.00 175.17 174.95 1mwb h ASP 29 N 11.33 0.13 -0.94 -0.34 3.58 -1.84 0.81 116.42 129.16 1mwb h ASP 29 Ca -0.27 -0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.28 1mwb h ASP 29 Cb 1.08 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 42.02 1mwb h ASP 29 CO 1.25 0.23 0.57 0.03 -2.88 0.00 0.00 179.24 178.43 1mwb h ARG 30 N 0.15 0.87 -0.01 0.28 2.47 -1.94 -2.83 114.38 113.37 1mwb h ARG 30 Ca 0.03 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1mwb h ARG 30 Cb 0.22 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1mwb h ARG 30 CO 0.01 0.58 -0.01 0.44 0.56 0.00 0.00 179.97 181.55 1mwb n ILE 31 N -4.68 0.00 -0.11 2.04 -5.35 -1.06 -4.62 119.36 105.58 1mwb n ILE 31 Ca 0.17 -0.50 0.08 0.00 -0.27 0.00 0.00 62.75 62.23 1mwb n ILE 31 Cb 0.34 1.18 0.42 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 1.70 0.58 -0.79 6.28 3.64 -0.57 -1.47 116.57 125.94 1mwb h LYS 32 Ca 0.00 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1mwb h LYS 32 Cb 0.36 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1mwb h LYS 32 CO 0.00 0.39 0.51 1.12 -2.27 0.00 0.00 179.45 179.20 1mwb h HIS 33 N 0.60 0.72 -0.64 1.91 2.07 -1.82 0.29 115.15 118.28 1mwb h HIS 33 Ca 0.27 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.78 1mwb h HIS 33 Cb 0.29 -0.23 -0.03 0.00 2.57 0.00 0.00 27.41 30.01 1mwb h HIS 33 CO -0.00 0.32 0.27 0.74 -3.07 0.00 0.00 177.93 176.18 1mwb h PHE 34 N 0.65 0.93 -0.62 6.12 0.04 -1.61 -2.08 116.94 120.38 1mwb h PHE 34 Ca 0.37 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1mwb h PHE 34 Cb 0.55 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1mwb h PHE 34 CO -0.00 0.71 0.00 1.19 -0.60 0.00 0.00 178.31 179.60 1mwb n PHE 35 N -4.32 1.37 -0.29 -0.55 3.72 0.29 -4.48 117.46 113.21 1mwb n PHE 35 Ca 0.06 -0.55 0.08 0.00 -0.05 0.00 0.00 57.45 56.98 1mwb n PHE 35 Cb 0.16 -0.22 0.30 0.00 -0.94 0.00 0.00 39.48 38.79 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 4.09 1.65 -2.60 4.37 0.00 0.19 -3.33 119.26 123.62 1mwb h ALA 36 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1mwb h ALA 36 Cb 1.35 -0.20 -0.39 0.00 0.00 0.00 0.00 17.79 18.55 1mwb h ALA 36 CO 0.20 0.16 -0.85 -0.51 0.00 0.00 0.00 179.25 178.25 1mwb s ASP 37 N -5.87 2.78 -0.14 0.00 1.01 -1.26 -5.09 116.67 108.10 1mwb s ASP 37 Ca -0.11 -2.45 -0.11 0.00 0.71 0.00 0.00 52.55 50.59 1mwb s ASP 37 Cb 0.21 -0.51 0.04 0.00 1.01 0.00 0.00 42.92 43.67 1mwb s ASP 37 CO 0.79 -0.27 0.36 -0.69 0.21 0.00 0.00 175.17 175.57 1mwb s VAL 38 N 0.73 -0.01 0.27 -1.27 1.01 -1.25 -5.14 120.40 114.73 1mwb s VAL 38 Ca 0.21 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 1mwb s VAL 38 Cb -0.17 -0.51 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 1mwb s VAL 38 CO -0.04 0.01 1.25 1.51 0.00 0.00 0.00 175.10 177.84 1mwb s ASP 39 N 0.46 6.95 0.45 3.32 1.47 -1.26 -4.91 116.67 123.14 1mwb s ASP 39 Ca -0.02 2.47 0.13 0.00 1.18 0.00 0.00 52.55 56.31 1mwb s ASP 39 Cb -0.04 -2.63 1.04 0.00 -0.34 0.00 0.00 42.92 40.96 1mwb s ASP 39 CO -0.02 -0.43 2.04 0.24 0.68 0.00 0.00 175.17 177.67 1mwb h MET 40 N 4.26 0.34 -0.09 2.11 2.86 -2.01 -2.71 114.93 119.69 1mwb h MET 40 Ca -0.47 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.19 1mwb h MET 40 Cb 1.22 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 1mwb h MET 40 CO 0.70 0.23 -0.19 0.00 1.06 0.00 0.00 176.91 178.71 1mwb h ALA 41 N 1.77 -0.16 -0.58 6.32 0.00 -2.01 -1.10 119.26 123.50 1mwb h ALA 41 Ca 0.18 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1mwb h ALA 41 Cb 0.28 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1mwb h ALA 41 CO -0.04 -0.65 0.15 0.87 0.00 0.00 0.00 179.25 179.58 1mwb h LYS 42 N -0.26 0.88 -0.92 0.00 1.79 -1.88 -2.65 116.57 113.53 1mwb h LYS 42 Ca 0.09 -0.18 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1mwb h LYS 42 Cb 0.38 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.85 1mwb h LYS 42 CO -0.24 0.78 0.61 1.96 -1.08 0.00 0.00 179.45 181.48 1mwb h GLN 43 N 0.85 1.15 -0.81 3.15 4.20 -1.17 0.03 115.11 122.52 1mwb h GLN 43 Ca 0.19 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.88 1mwb h GLN 43 Cb 0.29 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 1mwb h GLN 43 CO -0.00 0.76 0.51 -0.09 -0.67 0.00 0.00 178.83 179.33 1mwb h ARG 44 N 1.19 0.92 -0.13 1.46 2.43 -0.85 0.13 114.38 119.53 1mwb h ARG 44 Ca 0.36 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.33 1mwb h ARG 44 Cb -0.04 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1mwb h ARG 44 CO -0.10 0.61 -0.49 0.00 -1.51 0.00 0.00 179.97 178.49 1mwb h ALA 45 N 1.37 0.23 -0.12 2.80 0.00 -1.35 -2.44 119.26 119.75 1mwb h ALA 45 Ca 0.34 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1mwb h ALA 45 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1mwb h ALA 45 CO -0.15 0.40 0.07 1.25 0.00 0.00 0.00 179.25 180.83 1mwb h HIS 46 N 0.17 0.16 -0.84 0.00 -0.00 -0.62 -1.50 115.15 112.53 1mwb h HIS 46 Ca -0.02 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 1mwb h HIS 46 Cb 1.12 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.44 1mwb h HIS 46 CO 0.11 0.14 0.40 1.96 -0.00 0.00 0.00 177.93 180.54 1mwb h GLN 47 N 0.13 1.21 -0.77 5.26 1.08 -0.83 -1.75 115.11 119.45 1mwb h GLN 47 Ca 0.04 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 1mwb h GLN 47 Cb 0.03 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.20 1mwb h GLN 47 CO -0.01 0.93 0.44 -0.22 -0.95 0.00 0.00 178.83 179.03 1mwb h LYS 48 N 1.20 1.05 -0.59 1.46 3.64 -1.15 -1.63 116.57 120.55 1mwb h LYS 48 Ca 0.29 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1mwb h LYS 48 Cb 0.12 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1mwb h LYS 48 CO -0.04 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 177.91 1mwb h ALA 49 N 1.23 0.88 -0.01 5.00 0.00 -0.88 -0.72 119.26 124.76 1mwb h ALA 49 Ca 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mwb h ALA 49 Cb -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1mwb h ALA 49 CO -0.05 0.66 0.01 0.35 0.00 0.00 0.00 179.25 180.22 1mwb h PHE 50 N 0.95 0.02 -0.55 0.00 3.57 -0.89 0.13 116.94 120.16 1mwb h PHE 50 Ca 0.17 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1mwb h PHE 50 Cb 0.54 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1mwb h PHE 50 CO 0.04 0.13 0.18 1.25 -2.23 0.00 0.00 178.31 177.68 1mwb h LEU 51 N -0.09 0.79 -0.55 0.59 6.46 -1.25 -0.40 115.31 120.87 1mwb h LEU 51 Ca 0.01 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1mwb h LEU 51 Cb 0.12 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 1mwb h LEU 51 CO -0.00 0.78 0.30 0.74 -0.62 0.00 0.00 178.44 179.64 1mwb h THR 52 N 0.76 1.18 -0.64 1.05 2.02 -0.97 -0.03 112.91 116.28 1mwb h THR 52 Ca 0.18 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1mwb h THR 52 Cb 0.26 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1mwb h THR 52 CO -0.01 0.20 0.10 0.22 0.37 0.00 0.00 175.52 176.40 1mwb h TYR 53 N 0.73 1.13 -0.49 3.16 3.20 -0.51 -1.58 116.97 122.61 1mwb h TYR 53 Ca 0.19 -0.16 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1mwb h TYR 53 Cb 0.05 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 1mwb h TYR 53 CO -0.01 0.96 -0.11 0.00 -1.64 0.00 0.00 178.16 177.35 1mwb h ALA 54 N 1.04 0.87 -0.24 1.82 0.00 -0.75 2.34 119.26 124.34 1mwb h ALA 54 Ca 0.19 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1mwb h ALA 54 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1mwb h ALA 54 CO 0.01 0.64 -0.39 0.74 0.00 0.00 0.00 179.25 180.26 1mwb h PHE 55 N 0.82 0.66 0.00 0.00 -1.00 -0.82 -3.40 116.94 113.20 1mwb h PHE 55 Ca 0.13 -0.19 -0.21 0.00 2.81 0.00 0.00 57.97 60.52 1mwb h PHE 55 Cb 0.64 -0.14 -0.14 0.00 3.61 0.00 0.00 35.95 39.92 1mwb h PHE 55 CO 0.04 0.86 -0.32 0.41 -1.61 0.00 0.00 178.31 177.70 1mwb n GLY 56 N -0.05 0.45 0.15 -1.45 0.00 -0.61 -4.96 105.19 98.72 1mwb n GLY 56 Ca -0.02 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 0.09 -0.66 3.52 -0.02 0.00 0.79 -4.69 105.19 104.22 1mwb n GLY 57 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1mwb n GLY 57 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1mwb n THR 58 N -0.54 0.20 -3.63 2.61 5.66 -1.26 -4.75 114.28 112.57 1mwb n THR 58 Ca 0.18 -0.19 -0.13 0.00 -3.05 0.00 0.00 64.05 60.86 1mwb n THR 58 Cb 0.16 -2.03 -0.06 0.00 -1.55 0.00 0.00 70.33 66.85 1mwb n THR 58 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1mwb s ASP 59 N 7.54 -0.33 0.01 1.09 2.15 -1.26 -5.15 116.67 120.72 1mwb s ASP 59 Ca 0.74 0.02 -0.23 0.00 0.43 0.00 0.00 52.55 53.50 1mwb s ASP 59 Cb 0.06 0.45 -0.05 0.00 -0.30 0.00 0.00 42.92 43.08 1mwb s ASP 59 CO 0.26 -0.71 0.71 -0.54 -0.17 0.00 0.00 175.17 174.71 1mwb s LYS 60 N -2.65 4.43 0.03 4.34 3.01 -1.26 -5.07 119.74 122.58 1mwb s LYS 60 Ca -0.04 0.94 0.02 0.00 -1.01 0.00 0.00 55.97 55.87 1mwb s LYS 60 Cb -0.00 -3.37 -0.02 0.00 -1.01 0.00 0.00 37.83 33.42 1mwb s LYS 60 CO -0.03 0.27 -0.06 -0.47 0.51 0.00 0.00 175.35 175.56 1mwb s TYR 61 N 0.06 0.54 0.04 3.18 6.14 -1.26 -5.17 117.35 120.89 1mwb s TYR 61 Ca 0.36 -0.50 -0.02 0.00 0.64 0.00 0.00 57.07 57.56 1mwb s TYR 61 Cb -0.19 -0.34 -0.03 0.00 0.42 0.00 0.00 41.96 41.82 1mwb s TYR 61 CO 0.20 -0.11 -0.00 0.16 0.64 0.00 0.00 175.55 176.44 1mwb s ASP 62 N -1.51 0.34 0.00 4.32 1.47 -1.26 -5.11 116.67 114.91 1mwb s ASP 62 Ca -0.12 -0.73 0.00 0.00 1.18 0.00 0.00 52.55 52.88 1mwb s ASP 62 Cb -0.10 0.17 0.00 0.00 -0.34 0.00 0.00 42.92 42.65 1mwb s ASP 62 CO -0.00 -0.48 0.00 0.61 0.68 0.00 0.00 175.17 175.98 1mwb n GLY 63 N 0.76 2.12 0.35 2.12 0.00 -1.26 -4.98 105.19 104.29 1mwb n GLY 63 Ca -0.18 -0.09 0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.00 -0.87 1.61 3.08 -2.00 -1.64 114.38 114.56 1mwb h ARG 64 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 1mwb h ARG 64 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 1mwb h ARG 64 CO 0.00 0.00 0.42 -0.92 -1.07 0.00 0.00 179.97 178.40 1mwb h TYR 65 N 0.00 0.73 -0.69 3.04 3.20 -1.99 0.26 116.97 121.51 1mwb h TYR 65 Ca 0.12 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1mwb h TYR 65 Cb 0.64 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 1mwb h TYR 65 CO 0.00 0.09 0.33 0.52 -1.64 0.00 0.00 178.16 177.46 1mwb h MET 66 N 0.54 1.00 -0.35 1.82 2.86 -1.68 -2.63 114.93 116.49 1mwb h MET 66 Ca 0.50 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.86 1mwb h MET 66 Cb 0.82 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1mwb h MET 66 CO -0.43 0.80 -0.31 0.00 1.06 0.00 0.00 176.91 178.03 1mwb h ARG 67 N 0.97 0.76 -0.85 1.72 3.08 -1.04 -2.64 114.38 116.38 1mwb h ARG 67 Ca 0.24 -0.35 0.10 0.00 0.07 0.00 0.00 59.98 60.04 1mwb h ARG 67 Cb 0.13 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.09 1mwb h ARG 67 CO -0.03 0.96 0.49 1.49 -1.07 0.00 0.00 179.97 181.82 1mwb h GLU 68 N 0.64 0.79 0.19 0.04 4.57 -0.23 0.65 114.58 121.23 1mwb h GLU 68 Ca 0.07 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1mwb h GLU 68 Cb 0.84 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1mwb h GLU 68 CO 0.07 0.52 -0.09 0.00 -1.18 0.00 0.00 179.01 178.33 1mwb h ALA 69 N 1.47 -0.25 -0.94 2.92 0.00 -1.46 -3.03 119.26 117.97 1mwb h ALA 69 Ca 0.41 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1mwb h ALA 69 Cb 0.39 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1mwb h ALA 69 CO -0.25 -0.24 0.61 0.45 0.00 0.00 0.00 179.25 179.82 1mwb h HIS 70 N -1.05 1.15 -0.39 0.00 3.86 -1.42 -1.84 115.15 115.45 1mwb h HIS 70 Ca -0.03 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1mwb h HIS 70 Cb 0.24 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1mwb h HIS 70 CO 0.01 0.65 0.06 1.57 0.86 0.00 0.00 177.93 181.09 1mwb h LYS 71 N 1.18 0.58 -0.79 2.45 5.09 0.19 -1.81 116.57 123.46 1mwb h LYS 71 Ca 0.38 -0.11 0.04 0.00 0.09 0.00 0.00 60.65 61.05 1mwb h LYS 71 Cb 0.02 -0.09 -0.05 0.00 0.10 0.00 0.00 32.23 32.21 1mwb h LYS 71 CO -0.13 0.56 0.52 1.49 -2.09 0.00 0.00 179.45 179.80 1mwb h GLU 72 N 0.57 0.92 -0.37 0.07 4.57 -1.20 -0.97 114.58 118.16 1mwb h GLU 72 Ca 0.13 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 1mwb h GLU 72 Cb 0.26 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1mwb h GLU 72 CO 0.00 0.61 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.27 1mwb h LEU 73 N 0.94 0.62 -1.07 1.64 3.38 -1.18 0.62 115.31 120.26 1mwb h LEU 73 Ca 0.32 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1mwb h LEU 73 Cb 0.08 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1mwb h LEU 73 CO -0.10 0.76 0.63 0.58 0.09 0.00 0.00 178.44 180.40 1mwb h VAL 74 N 0.59 1.17 0.00 1.22 2.07 -0.92 0.49 116.25 120.86 1mwb h VAL 74 Ca 0.11 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 1mwb h VAL 74 Cb 0.52 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1mwb h VAL 74 CO 0.03 0.22 -0.89 -0.33 0.02 0.00 0.00 177.57 176.62 1mwb h GLU 75 N 1.21 0.00 -0.20 1.57 5.08 -1.34 -2.68 114.58 118.22 1mwb h GLU 75 Ca 0.38 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1mwb h GLU 75 Cb -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1mwb h GLU 75 CO -0.11 0.87 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.70 1mwb h ASN 76 N -1.00 0.49 0.08 1.42 -0.26 -0.90 -3.33 115.58 112.09 1mwb h ASN 76 Ca -0.23 -0.45 0.00 0.00 -0.56 0.00 0.00 56.30 55.06 1mwb h ASN 76 Cb 1.13 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 1mwb h ASN 76 CO -0.14 0.84 -1.42 1.41 -1.06 0.00 0.00 177.43 177.06 1mwb n HIS 77 N -4.49 0.05 -2.47 1.19 8.25 0.15 -5.01 115.22 112.89 1mwb n HIS 77 Ca -0.05 0.02 -0.04 0.00 -0.26 0.00 0.00 57.72 57.39 1mwb n HIS 77 Cb 0.37 -0.29 0.02 0.00 1.12 0.00 0.00 29.99 31.21 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 1.38 0.47 3.71 -1.41 0.00 0.20 -4.97 105.19 104.57 1mwb n GLY 78 Ca 0.00 -0.44 -0.41 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 -2.51 4.35 0.42 0.99 2.96 -1.11 -4.95 118.68 118.82 1mwb s LEU 79 Ca 0.05 1.53 0.04 0.00 -0.22 0.00 0.00 54.13 55.53 1mwb s LEU 79 Cb -0.02 -3.44 -0.02 0.00 0.50 0.00 0.00 46.19 43.21 1mwb s LEU 79 CO 0.14 -0.23 0.15 0.54 -1.32 0.00 0.00 176.35 175.62 1mwb s ASN 80 N 0.96 2.84 0.49 3.68 4.22 -1.26 -4.52 114.94 121.35 1mwb s ASN 80 Ca 0.48 -1.72 0.19 0.00 -2.14 0.00 0.00 52.86 49.67 1mwb s ASN 80 Cb -0.20 0.58 1.22 0.00 1.28 0.00 0.00 41.25 44.13 1mwb s ASN 80 CO 0.25 -0.98 2.02 1.23 -2.04 0.00 0.00 177.10 177.59 1mwb h GLY 81 N 1.75 0.23 1.01 0.45 0.00 -1.98 -1.42 103.07 103.11 1mwb h GLY 81 Ca -0.34 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 46.93 1mwb h GLY 81 CO 0.54 0.04 0.62 0.83 0.00 0.00 0.00 176.54 178.57 1mwb h GLU 82 N 0.16 1.27 -0.17 4.80 5.08 -1.98 0.34 114.58 124.08 1mwb h GLU 82 Ca 0.21 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1mwb h GLU 82 Cb 0.60 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1mwb h GLU 82 CO -0.03 0.85 0.07 0.45 -1.00 0.00 0.00 179.01 179.35 1mwb h HIS 83 N 1.30 0.26 -0.45 4.33 3.86 -1.66 -0.86 115.15 121.93 1mwb h HIS 83 Ca 0.35 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.52 1mwb h HIS 83 Cb -0.13 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 1mwb h HIS 83 CO -0.00 0.33 0.19 0.35 0.86 0.00 0.00 177.93 179.66 1mwb h PHE 84 N 0.12 0.67 -1.00 2.45 3.57 -1.36 -2.58 116.94 118.81 1mwb h PHE 84 Ca 0.06 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1mwb h PHE 84 Cb 0.18 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 1mwb h PHE 84 CO -0.01 0.56 0.66 -0.44 -2.23 0.00 0.00 178.31 176.85 1mwb h ASP 85 N 0.58 1.10 -0.80 0.41 3.32 -0.18 -1.10 116.42 119.75 1mwb h ASP 85 Ca 0.15 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1mwb h ASP 85 Cb 0.16 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1mwb h ASP 85 CO -0.02 0.76 0.41 0.00 -1.72 0.00 0.00 179.24 178.67 1mwb h ALA 86 N 1.41 1.03 -0.55 3.45 0.00 -0.84 -1.75 119.26 122.01 1mwb h ALA 86 Ca 0.40 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1mwb h ALA 86 Cb -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1mwb h ALA 86 CO -0.12 0.57 -0.06 0.28 0.00 0.00 0.00 179.25 179.92 1mwb h VAL 87 N 1.13 1.27 -0.75 0.00 2.07 -0.98 -2.88 116.25 116.10 1mwb h VAL 87 Ca 0.28 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1mwb h VAL 87 Cb 0.08 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1mwb h VAL 87 CO -0.04 0.43 0.33 0.00 0.02 0.00 0.00 177.57 178.31 1mwb h ALA 88 N 1.01 0.97 -0.56 1.67 0.00 -0.79 -2.48 119.26 119.08 1mwb h ALA 88 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1mwb h ALA 88 Cb 0.62 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1mwb h ALA 88 CO 0.04 0.56 0.26 0.93 0.00 0.00 0.00 179.25 181.03 1mwb h GLU 89 N 1.06 0.78 -0.96 0.00 5.08 -1.19 -2.00 114.58 117.36 1mwb h GLU 89 Ca 0.25 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1mwb h GLU 89 Cb 0.16 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1mwb h GLU 89 CO -0.03 0.62 0.62 -0.44 -1.00 0.00 0.00 179.01 178.79 1mwb h ASP 90 N 0.78 1.12 -0.80 1.42 3.32 -1.24 -1.73 116.42 119.29 1mwb h ASP 90 Ca 0.19 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1mwb h ASP 90 Cb 0.10 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 1mwb h ASP 90 CO -0.02 0.82 0.43 0.25 -1.72 0.00 0.00 179.24 179.00 1mwb h LEU 91 N 1.31 1.02 -1.31 1.55 5.85 -1.19 -1.79 115.31 120.75 1mwb h LEU 91 Ca 0.35 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1mwb h LEU 91 Cb -0.13 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.62 1mwb h LEU 91 CO -0.07 0.83 0.17 -0.07 -0.34 0.00 0.00 178.44 178.96 1mwb h LEU 92 N 1.14 0.59 -1.00 2.25 3.38 -1.09 -2.13 115.31 118.45 1mwb h LEU 92 Ca 0.28 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1mwb h LEU 92 Cb 0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1mwb h LEU 92 CO -0.04 0.54 0.66 0.00 0.09 0.00 0.00 178.44 179.68 1mwb h ALA 93 N 1.55 1.28 -0.21 1.53 0.00 -0.87 0.97 119.26 123.51 1mwb h ALA 93 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1mwb h ALA 93 Cb 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1mwb h ALA 93 CO -0.01 0.63 0.11 1.15 0.00 0.00 0.00 179.25 181.12 1mwb h THR 94 N 1.33 1.12 -0.24 0.00 2.02 -1.25 0.02 112.91 115.91 1mwb h THR 94 Ca 0.37 -0.32 -0.18 0.00 0.77 0.00 0.00 66.41 67.05 1mwb h THR 94 Cb -0.12 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1mwb h THR 94 CO -0.09 0.11 -0.57 -0.07 0.37 0.00 0.00 175.52 175.28 1mwb h LEU 95 N 0.22 0.85 -0.67 2.58 3.38 -1.24 -3.00 115.31 117.43 1mwb h LEU 95 Ca 0.07 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1mwb h LEU 95 Cb 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1mwb h LEU 95 CO -0.01 1.23 0.39 0.50 0.09 0.00 0.00 178.44 180.64 1mwb h LYS 96 N 0.58 0.91 -0.76 1.13 3.64 0.12 -2.28 116.57 119.91 1mwb h LYS 96 Ca 0.01 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1mwb h LYS 96 Cb 1.15 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1mwb h LYS 96 CO 0.12 0.66 0.29 1.49 -2.27 0.00 0.00 179.45 179.74 1mwb h GLU 97 N 0.91 1.13 -0.14 1.90 4.81 -0.99 -2.13 114.58 120.08 1mwb h GLU 97 Ca 0.24 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1mwb h GLU 97 Cb -0.01 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1mwb h GLU 97 CO -0.04 0.92 -0.03 0.52 -0.73 0.00 0.00 179.01 179.65 1mwb h MET 98 N 1.10 0.21 0.00 1.92 2.86 -1.31 -3.46 114.93 116.25 1mwb h MET 98 Ca 0.25 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1mwb h MET 98 Cb 0.22 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1mwb h MET 98 CO -0.02 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.62 1mwb n GLY 99 N -1.16 1.08 3.75 8.32 0.00 -0.80 -5.05 105.19 111.33 1mwb n GLY 99 Ca -0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.06 1.37 -1.48 1.61 0.31 -1.12 -4.88 118.33 112.08 1mwb n VAL 100 Ca 0.00 -0.34 -0.41 0.00 -0.01 0.00 0.00 64.34 63.58 1mwb n VAL 100 Cb 0.03 -1.92 0.01 0.00 -0.91 0.00 0.00 33.84 31.05 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 1.54 0.68 0.04 5.55 -0.04 -1.26 -4.81 135.00 136.70 1mwb n PRO 101 Ca 0.06 0.25 0.03 0.00 -0.04 0.00 0.00 63.50 63.80 1mwb n PRO 101 Cb 0.37 -1.63 0.39 0.00 -0.04 0.00 0.00 33.50 32.59 1mwb n PRO 101 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1mwb h GLU 102 N 0.81 0.45 -0.70 0.54 4.39 -2.00 -2.68 114.58 115.39 1mwb h GLU 102 Ca -0.42 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.29 1mwb h GLU 102 Cb 1.39 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.90 1mwb h GLU 102 CO 0.52 0.40 0.39 0.22 -1.16 0.00 0.00 179.01 179.37 1mwb h ASP 103 N 0.44 0.57 -0.34 1.42 3.58 -2.01 -2.15 116.42 117.93 1mwb h ASP 103 Ca 0.11 0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.45 1mwb h ASP 103 Cb 0.14 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1mwb h ASP 103 CO -0.01 0.36 -0.33 -0.07 -2.88 0.00 0.00 179.24 176.31 1mwb h LEU 104 N 0.70 0.92 -1.03 2.28 3.38 -1.83 -3.00 115.31 116.73 1mwb h LEU 104 Ca 0.32 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 57.99 1mwb h LEU 104 Cb 0.22 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 1mwb h LEU 104 CO -0.20 1.16 0.64 0.40 0.09 0.00 0.00 178.44 180.53 1mwb h ILE 105 N 0.73 0.99 -0.38 1.22 2.04 -1.24 0.73 117.51 121.60 1mwb h ILE 105 Ca 0.07 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1mwb h ILE 105 Cb 0.90 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1mwb h ILE 105 CO 0.08 0.19 0.10 0.00 0.00 0.00 0.00 178.15 178.53 1mwb h ALA 106 N 1.51 0.50 -0.40 1.87 0.00 -1.33 0.14 119.26 121.55 1mwb h ALA 106 Ca 0.47 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1mwb h ALA 106 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1mwb h ALA 106 CO -0.22 0.17 -0.35 0.93 0.00 0.00 0.00 179.25 179.77 1mwb h GLU 107 N 0.47 0.95 -0.62 0.00 5.08 -1.12 -2.12 114.58 117.23 1mwb h GLU 107 Ca 0.12 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1mwb h GLU 107 Cb 0.29 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1mwb h GLU 107 CO -0.00 1.14 0.21 0.28 -1.00 0.00 0.00 179.01 179.64 1mwb h VAL 108 N 0.78 1.24 -0.23 3.13 2.07 0.56 -2.40 116.25 121.40 1mwb h VAL 108 Ca 0.07 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1mwb h VAL 108 Cb 0.95 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1mwb h VAL 108 CO 0.09 0.31 -0.17 0.00 0.02 0.00 0.00 177.57 177.82 1mwb h ALA 109 N 1.07 1.28 0.00 1.67 0.00 -0.91 -2.39 119.26 119.99 1mwb h ALA 109 Ca 0.20 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1mwb h ALA 109 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1mwb h ALA 109 CO -0.01 0.47 -0.20 0.00 0.00 0.00 0.00 179.25 179.51 1mwb h ALA 110 N 1.46 1.50 -0.52 0.00 0.00 -0.89 2.16 119.26 122.97 1mwb h ALA 110 Ca 0.07 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 110 Cb 0.52 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1mwb h ALA 110 CO 0.03 0.25 0.24 0.28 0.00 0.00 0.00 179.25 180.06 1mwb h VAL 111 N 0.00 0.91 0.00 0.00 2.07 -1.11 -2.92 116.25 115.20 1mwb h VAL 111 Ca -0.00 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1mwb h VAL 111 Cb 0.40 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1mwb h VAL 111 CO 0.03 0.08 -1.84 0.00 0.02 0.00 0.00 177.57 175.86 1mwb n ALA 112 N -2.36 2.45 0.32 1.67 0.00 -1.08 -4.36 120.51 117.14 1mwb n ALA 112 Ca 0.05 -0.53 0.19 0.00 0.00 0.00 0.00 53.44 53.16 1mwb n ALA 112 Cb 0.16 -0.50 1.03 0.00 0.00 0.00 0.00 19.45 20.15 1mwb n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1mwb h GLY 113 N 3.13 0.00 -6.80 0.00 0.00 0.36 -3.43 103.07 96.34 1mwb h GLY 113 Ca -0.08 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.56 1mwb h GLY 113 CO 0.00 0.00 1.29 0.00 0.00 0.00 0.00 176.54 177.83 1mwb n ALA 114 N -2.06 0.71 0.26 3.60 0.00 -1.11 -4.80 120.51 117.12 1mwb n ALA 114 Ca -0.02 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.61 1mwb n ALA 114 Cb 0.21 -2.42 0.75 0.00 0.00 0.00 0.00 19.45 17.98 1mwb n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1mwb h PRO 115 N 10.79 0.00 -0.77 0.00 0.11 -1.94 -2.06 132.00 138.13 1mwb h PRO 115 Ca -0.30 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1mwb h PRO 115 Cb 1.33 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 1mwb h PRO 115 CO 1.01 0.00 0.42 0.00 -0.21 0.00 0.00 178.00 179.23 1mwb h ALA 116 N 1.98 0.99 -0.67 -0.75 0.00 -1.94 -2.56 119.26 116.31 1mwb h ALA 116 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1mwb h ALA 116 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1mwb h ALA 116 CO -0.00 0.50 0.37 0.45 0.00 0.00 0.00 179.25 180.57 1mwb h HIS 117 N 1.07 0.92 0.00 0.00 3.86 -1.70 -2.29 115.15 117.01 1mwb h HIS 117 Ca 0.27 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1mwb h HIS 117 Cb 0.03 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.21 1mwb h HIS 117 CO 0.00 0.66 -0.00 0.87 0.86 0.00 0.00 177.93 180.31 1mwb h LYS 118 N 0.92 0.00 -0.83 2.45 1.57 -1.44 -2.50 116.57 116.74 1mwb h LYS 118 Ca 0.24 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.16 1mwb h LYS 118 Cb 0.04 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.26 1mwb h LYS 118 CO -0.04 0.00 0.42 0.00 -0.57 0.00 0.00 179.45 179.27 1mwb h ARG 119 N 0.00 0.60 -0.66 3.15 2.47 -1.13 1.35 114.38 120.16 1mwb h ARG 119 Ca -0.00 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1mwb h ARG 119 Cb 0.01 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.16 1mwb h ARG 119 CO 0.00 0.40 0.31 0.22 0.56 0.00 0.00 179.97 181.46 1mwb h ASP 120 N 0.62 0.87 0.16 7.04 3.58 -1.57 1.78 116.42 128.90 1mwb h ASP 120 Ca 0.45 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1mwb h ASP 120 Cb 0.62 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1mwb h ASP 120 CO -0.36 0.77 -0.08 0.58 -2.88 0.00 0.00 179.24 177.27 1mwb h VAL 121 N 0.92 0.67 -0.30 2.25 2.07 -1.06 -3.35 116.25 117.45 1mwb h VAL 121 Ca 0.23 -1.13 -0.16 0.00 0.82 0.00 0.00 66.70 66.46 1mwb h VAL 121 Cb 0.13 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1mwb h VAL 121 CO -0.03 0.19 -0.44 -0.07 0.02 0.00 0.00 177.57 177.24 1mwb h LEU 122 N -0.94 0.82 -1.34 2.57 3.38 0.17 -3.38 115.31 116.59 1mwb h LEU 122 Ca -0.02 -0.39 -0.46 0.00 0.09 0.00 0.00 57.88 57.10 1mwb h LEU 122 Cb 0.48 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1mwb h LEU 122 CO 0.04 1.14 -0.79 0.59 0.09 0.00 0.00 178.44 179.50 1mwb n ASN 123 N -4.03 -3.16 0.00 -0.43 3.02 0.60 -4.83 115.26 106.44 1mwb n ASN 123 Ca -0.02 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1mwb n ASN 123 Cb 0.56 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64