#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 1.16 -0.82 0.44 2.02 -2.04 -1.64 112.91 112.02 1mwb h THR 3 Ca 0.00 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.81 1mwb h THR 3 Cb 0.00 -0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.24 1mwb h THR 3 CO 0.00 0.22 0.54 -0.07 0.37 0.00 0.00 175.52 176.58 1mwb h LEU 4 N 1.18 0.88 -1.65 2.58 3.38 -2.05 -0.41 115.31 119.22 1mwb h LEU 4 Ca 0.38 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 1mwb h LEU 4 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1mwb h LEU 4 CO -0.12 0.61 -0.17 1.88 0.09 0.00 0.00 178.44 180.73 1mwb h TYR 5 N 1.02 0.00 -0.71 1.13 0.05 -1.73 -2.71 116.97 114.02 1mwb h TYR 5 Ca 0.32 0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.23 1mwb h TYR 5 Cb 0.02 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 1mwb h TYR 5 CO -0.00 0.17 0.48 1.49 -1.05 0.00 0.00 178.16 179.24 1mwb h GLU 6 N 0.00 0.44 -0.97 4.88 4.57 -0.87 0.66 114.58 123.30 1mwb h GLU 6 Ca -0.00 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1mwb h GLU 6 Cb 0.47 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.90 1mwb h GLU 6 CO 0.02 0.29 0.63 0.87 -1.18 0.00 0.00 179.01 179.65 1mwb h LYS 7 N 0.46 1.16 -0.01 1.92 1.57 -1.58 0.57 116.57 120.66 1mwb h LYS 7 Ca 0.34 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1mwb h LYS 7 Cb 0.70 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1mwb h LYS 7 CO -0.11 0.77 -0.15 1.28 -0.57 0.00 0.00 179.45 180.67 1mwb n LEU 8 N -4.46 1.14 0.00 2.94 4.77 -0.02 -4.91 117.00 116.46 1mwb n LEU 8 Ca 0.14 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1mwb n LEU 8 Cb 0.13 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1mwb n LEU 8 CO 0.34 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1mwb n GLY 9 N 1.27 3.34 6.43 -0.72 0.00 0.19 -5.00 105.19 110.70 1mwb n GLY 9 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.58 2.29 7.00 -0.02 0.00 0.02 -4.71 105.19 108.18 1mwb n GLY 10 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 -0.16 2.61 -2.24 -1.26 -0.23 114.28 112.99 1mwb n THR 11 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1mwb n THR 11 Cb 0.00 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 68.70 1mwb n THR 11 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mwb h THR 12 N 0.00 0.84 -0.63 4.28 2.02 -2.02 -0.17 112.91 117.24 1mwb h THR 12 Ca 0.00 -0.17 0.09 0.00 0.77 0.00 0.00 66.41 67.10 1mwb h THR 12 Cb 0.00 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 1mwb h THR 12 CO 0.00 0.09 0.42 0.00 0.37 0.00 0.00 175.52 176.40 1mwb h ALA 13 N 1.64 1.93 -0.45 6.16 0.00 -0.92 -1.38 119.26 126.25 1mwb h ALA 13 Ca 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1mwb h ALA 13 Cb 0.71 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1mwb h ALA 13 CO -0.12 -0.06 0.25 0.28 0.00 0.00 0.00 179.25 179.60 1mwb h VAL 14 N 0.50 1.16 -0.60 0.00 2.07 -1.03 -2.36 116.25 115.98 1mwb h VAL 14 Ca 0.28 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1mwb h VAL 14 Cb 0.46 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1mwb h VAL 14 CO -0.09 0.17 0.27 0.44 0.02 0.00 0.00 177.57 178.39 1mwb h ASP 15 N 0.59 0.78 -0.89 0.57 3.32 -1.32 -2.25 116.42 117.21 1mwb h ASP 15 Ca 0.16 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1mwb h ASP 15 Cb 0.05 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 1mwb h ASP 15 CO -0.03 0.67 0.55 0.25 -1.72 0.00 0.00 179.24 178.97 1mwb h LEU 16 N 0.85 0.86 -0.03 1.55 7.12 -0.89 1.14 115.31 125.91 1mwb h LEU 16 Ca 0.21 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.23 1mwb h LEU 16 Cb 0.12 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.09 1mwb h LEU 16 CO -0.02 0.54 -0.00 0.00 -0.13 0.00 0.00 178.44 178.82 1mwb h ALA 17 N 1.42 0.04 -0.30 1.25 0.00 -1.15 -0.92 119.26 119.60 1mwb h ALA 17 Ca 0.39 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1mwb h ALA 17 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1mwb h ALA 17 CO -0.18 -0.28 -0.12 0.28 0.00 0.00 0.00 179.25 178.95 1mwb h VAL 18 N -0.29 1.29 -0.02 0.00 2.07 -1.07 -0.22 116.25 118.01 1mwb h VAL 18 Ca 0.01 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1mwb h VAL 18 Cb 0.36 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1mwb h VAL 18 CO 0.00 0.38 0.01 0.44 0.02 0.00 0.00 177.57 178.43 1mwb h ASP 19 N 0.38 0.02 -0.40 0.57 3.32 0.13 0.22 116.42 120.65 1mwb h ASP 19 Ca 0.07 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1mwb h ASP 19 Cb 0.63 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1mwb h ASP 19 CO 0.04 0.03 0.08 0.50 -1.72 0.00 0.00 179.24 178.17 1mwb h LYS 20 N 0.01 0.66 -0.97 3.56 3.64 -1.18 -2.81 116.57 119.48 1mwb h LYS 20 Ca 0.01 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1mwb h LYS 20 Cb 0.01 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 1mwb h LYS 20 CO -0.00 0.70 0.64 0.35 -2.27 0.00 0.00 179.45 178.87 1mwb h PHE 21 N 0.52 1.22 -0.71 1.91 3.57 -0.84 -2.32 116.94 120.28 1mwb h PHE 21 Ca 0.12 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1mwb h PHE 21 Cb 0.35 -0.41 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 1mwb h PHE 21 CO 0.02 0.77 0.41 -0.92 -2.23 0.00 0.00 178.31 176.36 1mwb h TYR 22 N 1.32 0.75 -0.53 0.41 3.20 -0.33 -1.93 116.97 119.85 1mwb h TYR 22 Ca 0.36 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.18 1mwb h TYR 22 Cb -0.15 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 37.87 1mwb h TYR 22 CO -0.00 0.36 0.02 0.93 -1.64 0.00 0.00 178.16 177.82 1mwb h GLU 23 N 0.74 0.88 -0.85 1.82 5.08 -1.19 -2.84 114.58 118.22 1mwb h GLU 23 Ca 0.32 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1mwb h GLU 23 Cb 0.20 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1mwb h GLU 23 CO -0.19 0.87 0.55 0.00 -1.00 0.00 0.00 179.01 179.25 1mwb h ARG 24 N 0.82 0.98 -0.29 2.33 3.08 -0.96 -1.03 114.38 119.31 1mwb h ARG 24 Ca 0.16 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1mwb h ARG 24 Cb 0.46 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1mwb h ARG 24 CO 0.02 0.65 0.08 0.28 -1.07 0.00 0.00 179.97 179.93 1mwb h VAL 25 N 1.01 1.21 -0.60 2.04 2.07 -1.25 -2.32 116.25 118.41 1mwb h VAL 25 Ca 0.35 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1mwb h VAL 25 Cb 0.10 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1mwb h VAL 25 CO -0.11 0.22 0.06 -0.07 0.02 0.00 0.00 177.57 177.69 1mwb h LEU 26 N 0.31 0.96 -1.49 2.57 3.38 -1.39 -2.70 115.31 116.95 1mwb h LEU 26 Ca 0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1mwb h LEU 26 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1mwb h LEU 26 CO -0.00 0.98 0.04 1.56 0.09 0.00 0.00 178.44 181.11 1mwb h GLN 27 N 0.94 0.37 -6.25 1.13 1.08 -1.06 -3.39 115.11 107.93 1mwb h GLN 27 Ca 0.18 -0.05 -0.53 0.00 -1.45 0.00 0.00 58.65 56.80 1mwb h GLN 27 Cb 0.46 -0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.75 1mwb h GLN 27 CO 0.02 0.37 1.14 0.34 -0.95 0.00 0.00 178.83 179.74 1mwb s ASP 28 N -6.81 5.95 0.44 1.46 2.15 -0.88 -4.84 116.67 114.13 1mwb s ASP 28 Ca -0.07 -0.30 0.12 0.00 0.43 0.00 0.00 52.55 52.73 1mwb s ASP 28 Cb 0.16 -2.55 0.98 0.00 -0.30 0.00 0.00 42.92 41.21 1mwb s ASP 28 CO 0.73 -1.97 2.02 -0.78 -0.17 0.00 0.00 175.17 175.01 1mwb h ASP 29 N 11.21 0.16 -0.81 -0.34 3.58 -1.83 0.38 116.42 128.77 1mwb h ASP 29 Ca -0.26 -0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.29 1mwb h ASP 29 Cb 1.07 -0.04 -0.08 0.00 1.72 0.00 0.00 39.33 42.00 1mwb h ASP 29 CO 1.27 0.23 0.44 0.03 -2.88 0.00 0.00 179.24 178.32 1mwb h ARG 30 N 0.18 0.68 -0.01 0.28 3.08 -1.94 -2.75 114.38 113.90 1mwb h ARG 30 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mwb h ARG 30 Cb 0.18 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1mwb h ARG 30 CO 0.01 0.45 -0.13 0.44 -1.07 0.00 0.00 179.97 179.66 1mwb n ILE 31 N -4.81 0.00 -0.12 2.04 -5.35 -1.08 -4.55 119.36 105.49 1mwb n ILE 31 Ca 0.14 -0.43 0.06 0.00 -0.27 0.00 0.00 62.75 62.25 1mwb n ILE 31 Cb 0.33 1.21 0.39 0.00 -1.74 0.00 0.00 39.64 39.82 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 1.98 0.65 -0.89 6.28 3.64 -0.60 -1.32 116.57 126.30 1mwb h LYS 32 Ca 0.00 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.48 1mwb h LYS 32 Cb 0.49 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1mwb h LYS 32 CO 0.00 0.43 0.58 1.12 -2.27 0.00 0.00 179.45 179.31 1mwb h HIS 33 N 0.67 0.82 -0.59 1.91 2.07 -1.80 1.84 115.15 120.07 1mwb h HIS 33 Ca 0.26 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.75 1mwb h HIS 33 Cb 0.20 -0.26 -0.03 0.00 2.57 0.00 0.00 27.41 29.89 1mwb h HIS 33 CO -0.00 0.30 0.14 0.74 -3.07 0.00 0.00 177.93 176.05 1mwb h PHE 34 N 0.69 0.94 -0.64 6.12 0.04 -1.57 -2.59 116.94 119.94 1mwb h PHE 34 Ca 0.45 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 61.13 1mwb h PHE 34 Cb 0.72 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1mwb h PHE 34 CO -0.00 0.78 0.00 1.19 -0.60 0.00 0.00 178.31 179.68 1mwb n PHE 35 N -4.26 0.85 -0.13 -0.55 3.72 0.99 -4.45 117.46 113.63 1mwb n PHE 35 Ca 0.04 -0.43 0.07 0.00 -0.05 0.00 0.00 57.45 57.08 1mwb n PHE 35 Cb 0.23 -0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.16 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 4.39 1.75 -2.62 4.37 0.00 0.30 -3.33 119.26 124.12 1mwb h ALA 36 Ca 0.00 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.30 1mwb h ALA 36 Cb 1.00 -0.17 -0.39 0.00 0.00 0.00 0.00 17.79 18.22 1mwb h ALA 36 CO 0.00 0.15 -0.85 -0.51 0.00 0.00 0.00 179.25 178.05 1mwb s ASP 37 N -6.31 2.86 -0.09 0.00 1.01 -1.26 -5.08 116.67 107.80 1mwb s ASP 37 Ca -0.09 -2.41 -0.10 0.00 0.71 0.00 0.00 52.55 50.66 1mwb s ASP 37 Cb 0.19 -0.52 0.03 0.00 1.01 0.00 0.00 42.92 43.63 1mwb s ASP 37 CO 0.76 -0.28 0.28 -0.69 0.21 0.00 0.00 175.17 175.45 1mwb s VAL 38 N 0.77 0.01 0.51 -1.27 1.01 -1.25 -5.11 120.40 115.07 1mwb s VAL 38 Ca 0.20 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1mwb s VAL 38 Cb -0.19 -0.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 1mwb s VAL 38 CO -0.03 -0.04 1.18 1.51 0.00 0.00 0.00 175.10 177.73 1mwb s ASP 39 N -0.04 5.78 0.42 3.32 1.47 -1.26 -4.92 116.67 121.45 1mwb s ASP 39 Ca -0.02 2.33 0.10 0.00 1.18 0.00 0.00 52.55 56.15 1mwb s ASP 39 Cb -0.02 -2.60 0.91 0.00 -0.34 0.00 0.00 42.92 40.87 1mwb s ASP 39 CO 0.01 -1.19 2.01 0.24 0.68 0.00 0.00 175.17 176.92 1mwb h MET 40 N 1.55 0.29 0.31 2.11 2.86 -2.01 -2.97 114.93 117.07 1mwb h MET 40 Ca -0.50 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1mwb h MET 40 Cb 1.27 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.84 1mwb h MET 40 CO 0.58 0.29 -0.36 0.00 1.06 0.00 0.00 176.91 178.48 1mwb h ALA 41 N 1.75 -0.75 -0.42 6.32 0.00 -2.01 -1.83 119.26 122.33 1mwb h ALA 41 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 41 Cb 0.15 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1mwb h ALA 41 CO -0.00 -0.96 0.16 0.87 0.00 0.00 0.00 179.25 179.31 1mwb h LYS 42 N -0.71 0.60 -0.56 0.00 1.57 -1.94 -2.59 116.57 112.94 1mwb h LYS 42 Ca -0.01 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1mwb h LYS 42 Cb 0.66 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1mwb h LYS 42 CO -0.10 0.51 0.32 1.96 -0.57 0.00 0.00 179.45 181.57 1mwb h GLN 43 N 0.59 0.62 -0.62 3.15 1.08 -1.28 0.94 115.11 119.58 1mwb h GLN 43 Ca 0.14 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1mwb h GLN 43 Cb 0.14 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1mwb h GLN 43 CO -0.01 0.41 0.37 -0.09 -0.95 0.00 0.00 178.83 178.56 1mwb h ARG 44 N 0.63 0.85 -0.09 1.46 2.43 -0.96 -0.77 114.38 117.93 1mwb h ARG 44 Ca 0.23 -0.08 -0.18 0.00 -0.81 0.00 0.00 59.98 59.14 1mwb h ARG 44 Cb 0.06 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1mwb h ARG 44 CO -0.12 0.61 -0.63 0.00 -1.51 0.00 0.00 179.97 178.32 1mwb h ALA 45 N 1.19 0.20 0.16 2.80 0.00 -1.22 -2.20 119.26 120.19 1mwb h ALA 45 Ca 0.22 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1mwb h ALA 45 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1mwb h ALA 45 CO -0.04 0.48 -0.08 1.25 0.00 0.00 0.00 179.25 180.86 1mwb h HIS 46 N 0.22 -0.20 -0.71 0.00 -0.00 0.10 0.30 115.15 114.86 1mwb h HIS 46 Ca -0.05 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.25 1mwb h HIS 46 Cb 1.28 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.73 1mwb h HIS 46 CO 0.11 -0.11 0.20 1.96 -0.00 0.00 0.00 177.93 180.09 1mwb h GLN 47 N -0.24 1.12 -0.70 5.26 4.20 -1.24 -1.49 115.11 122.01 1mwb h GLN 47 Ca -0.02 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 1mwb h GLN 47 Cb 0.19 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1mwb h GLN 47 CO 0.04 0.97 0.38 -0.22 -0.67 0.00 0.00 178.83 179.33 1mwb h LYS 48 N 1.06 0.98 -0.56 1.46 3.64 -1.20 -1.73 116.57 120.21 1mwb h LYS 48 Ca 0.23 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1mwb h LYS 48 Cb 0.34 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1mwb h LYS 48 CO -0.00 0.74 -0.01 0.00 -2.27 0.00 0.00 179.45 177.91 1mwb h ALA 49 N 1.19 0.92 -0.06 5.00 0.00 -0.66 -1.59 119.26 124.05 1mwb h ALA 49 Ca 0.25 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 49 Cb 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1mwb h ALA 49 CO -0.04 0.64 0.04 0.35 0.00 0.00 0.00 179.25 180.24 1mwb h PHE 50 N 0.89 0.09 -0.68 0.00 3.57 -0.84 -0.25 116.94 119.71 1mwb h PHE 50 Ca 0.16 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1mwb h PHE 50 Cb 0.54 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1mwb h PHE 50 CO 0.03 0.10 0.35 1.25 -2.23 0.00 0.00 178.31 177.81 1mwb h LEU 51 N 0.05 0.87 -0.62 0.59 6.46 -1.23 -1.26 115.31 120.16 1mwb h LEU 51 Ca 0.02 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1mwb h LEU 51 Cb 0.04 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 1mwb h LEU 51 CO -0.00 0.73 0.34 0.74 -0.62 0.00 0.00 178.44 179.63 1mwb h THR 52 N 0.94 1.20 -0.66 1.05 2.02 -1.03 0.58 112.91 117.00 1mwb h THR 52 Ca 0.24 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 1mwb h THR 52 Cb 0.08 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1mwb h THR 52 CO -0.03 0.22 0.15 0.22 0.37 0.00 0.00 175.52 176.45 1mwb h TYR 53 N 0.85 1.11 -0.33 3.16 3.20 -0.72 -1.56 116.97 122.67 1mwb h TYR 53 Ca 0.22 -0.13 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 1mwb h TYR 53 Cb 0.04 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 1mwb h TYR 53 CO -0.01 0.92 -0.23 0.00 -1.64 0.00 0.00 178.16 177.20 1mwb h ALA 54 N 1.06 0.48 0.00 1.82 0.00 -0.92 0.13 119.26 121.83 1mwb h ALA 54 Ca 0.21 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1mwb h ALA 54 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mwb h ALA 54 CO 0.00 0.45 -0.26 0.74 0.00 0.00 0.00 179.25 180.18 1mwb h PHE 55 N 0.51 0.00 -0.92 0.00 -1.00 -0.78 -3.40 116.94 111.36 1mwb h PHE 55 Ca 0.07 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.75 1mwb h PHE 55 Cb 0.78 0.00 -0.17 0.00 3.61 0.00 0.00 35.95 40.17 1mwb h PHE 55 CO 0.06 0.26 -0.44 0.20 -1.61 0.00 0.00 178.31 176.79 1mwb s GLY 56 N -4.24 -1.31 -0.06 -1.45 0.00 -0.60 -4.99 107.32 94.67 1mwb s GLY 56 Ca -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.66 1mwb s GLY 56 CO 0.70 3.73 0.93 0.61 0.00 0.00 0.00 173.10 179.07 1mwb n GLY 57 N 3.54 2.07 3.77 0.20 0.00 0.44 -4.59 105.19 110.62 1mwb n GLY 57 Ca 0.14 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1mwb n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mwb s THR 58 N -0.92 2.13 0.03 2.61 2.01 -1.26 -4.40 115.64 115.83 1mwb s THR 58 Ca 0.09 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1mwb s THR 58 Cb 0.07 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1mwb s THR 58 CO 0.02 0.02 0.00 0.47 -0.69 0.00 0.00 174.62 174.44 1mwb n ASP 59 N 0.09 -7.89 -4.77 3.53 8.00 -1.26 -4.88 116.55 109.37 1mwb n ASP 59 Ca 0.03 1.70 -0.39 0.00 0.71 0.00 0.00 54.79 56.84 1mwb n ASP 59 Cb 0.41 -4.58 -0.03 0.00 -0.02 0.00 0.00 41.12 36.90 1mwb n ASP 59 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1mwb s LYS 60 N -0.49 4.24 -0.22 -1.24 1.02 -1.26 -5.01 119.74 116.78 1mwb s LYS 60 Ca 0.00 1.84 -0.16 0.00 0.02 0.00 0.00 55.97 57.66 1mwb s LYS 60 Cb 0.00 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 1mwb s LYS 60 CO 0.00 -0.16 0.43 -0.47 -0.92 0.00 0.00 175.35 174.23 1mwb s TYR 61 N -1.35 3.34 0.04 3.18 5.04 -1.26 -5.06 117.35 121.28 1mwb s TYR 61 Ca 0.53 0.62 -0.26 0.00 -2.44 0.00 0.00 57.07 55.52 1mwb s TYR 61 Cb -0.31 -2.59 -0.05 0.00 0.35 0.00 0.00 41.96 39.36 1mwb s TYR 61 CO 0.40 -0.10 0.82 -0.51 -1.34 0.00 0.00 175.55 174.82 1mwb s ASP 62 N 1.22 7.26 0.00 4.32 1.01 -1.26 -4.99 116.67 124.23 1mwb s ASP 62 Ca 0.20 1.51 0.00 0.00 0.71 0.00 0.00 52.55 54.96 1mwb s ASP 62 Cb -0.15 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1mwb s ASP 62 CO 0.09 -0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.02 1mwb n GLY 63 N 2.52 -1.49 0.35 0.21 0.00 -1.26 -5.01 105.19 100.52 1mwb n GLY 63 Ca -0.00 0.99 0.14 0.00 0.00 0.00 0.00 46.02 47.14 1mwb n GLY 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1mwb h ARG 64 N 0.00 0.26 -0.68 1.61 2.43 -2.00 -1.68 114.38 114.32 1mwb h ARG 64 Ca 0.00 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 1mwb h ARG 64 Cb 0.00 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.40 1mwb h ARG 64 CO 0.00 0.17 0.23 -0.92 -1.51 0.00 0.00 179.97 177.95 1mwb h TYR 65 N 0.27 0.39 -0.82 2.20 5.03 -1.99 0.11 116.97 122.16 1mwb h TYR 65 Ca 0.25 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.60 1mwb h TYR 65 Cb 0.63 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.80 1mwb h TYR 65 CO -0.00 0.04 0.53 0.52 -1.32 0.00 0.00 178.16 177.93 1mwb h MET 66 N 0.38 1.10 -0.59 1.82 0.00 -1.72 -1.56 114.93 114.35 1mwb h MET 66 Ca 0.37 -0.08 -0.07 0.00 0.00 0.00 0.00 59.70 59.92 1mwb h MET 66 Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 31.60 31.87 1mwb h MET 66 CO -0.39 0.74 0.10 -0.09 0.00 0.00 0.00 176.91 177.27 1mwb h ARG 67 N 1.12 0.98 -0.79 1.72 2.43 -1.13 -1.07 114.38 117.64 1mwb h ARG 67 Ca 0.30 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1mwb h ARG 67 Cb -0.11 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.29 1mwb h ARG 67 CO -0.06 0.93 0.38 1.49 -1.51 0.00 0.00 179.97 181.20 1mwb h GLU 68 N 0.89 1.15 0.17 0.20 4.81 -0.30 0.11 114.58 121.61 1mwb h GLU 68 Ca 0.18 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1mwb h GLU 68 Cb 0.42 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1mwb h GLU 68 CO 0.01 0.89 -0.08 0.00 -0.73 0.00 0.00 179.01 179.10 1mwb h ALA 69 N 1.20 -0.23 -0.92 2.92 0.00 -1.17 -3.07 119.26 117.98 1mwb h ALA 69 Ca 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1mwb h ALA 69 Cb 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1mwb h ALA 69 CO -0.03 -0.28 0.53 0.45 0.00 0.00 0.00 179.25 179.92 1mwb h HIS 70 N -0.93 1.24 -0.55 0.00 3.86 -1.23 -2.26 115.15 115.28 1mwb h HIS 70 Ca -0.02 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1mwb h HIS 70 Cb 0.48 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 1mwb h HIS 70 CO 0.08 0.84 0.25 1.57 0.86 0.00 0.00 177.93 181.53 1mwb h LYS 71 N 1.28 0.78 -0.79 2.45 2.10 -0.89 -1.16 116.57 120.35 1mwb h LYS 71 Ca 0.33 -0.10 0.07 0.00 -2.00 0.00 0.00 60.65 58.94 1mwb h LYS 71 Cb -0.01 -0.15 -0.05 0.00 -0.90 0.00 0.00 32.23 31.13 1mwb h LYS 71 CO -0.06 0.62 0.51 1.49 -2.00 0.00 0.00 179.45 180.01 1mwb h GLU 72 N 0.78 0.81 -0.45 0.07 4.57 -1.31 -0.26 114.58 118.78 1mwb h GLU 72 Ca 0.19 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1mwb h GLU 72 Cb 0.10 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1mwb h GLU 72 CO -0.02 0.54 0.07 -0.07 -1.18 0.00 0.00 179.01 178.35 1mwb h LEU 73 N 0.84 0.65 -1.00 1.64 3.38 -1.09 0.33 115.31 120.06 1mwb h LEU 73 Ca 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1mwb h LEU 73 Cb 0.26 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1mwb h LEU 73 CO -0.12 0.67 0.44 0.58 0.09 0.00 0.00 178.44 180.11 1mwb h VAL 74 N 0.67 1.24 0.12 1.22 2.07 -0.84 0.55 116.25 121.28 1mwb h VAL 74 Ca 0.15 -0.61 -0.20 0.00 0.82 0.00 0.00 66.70 66.85 1mwb h VAL 74 Cb 0.31 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1mwb h VAL 74 CO 0.00 0.27 -0.97 -0.33 0.02 0.00 0.00 177.57 176.57 1mwb h GLU 75 N 1.16 0.25 0.10 1.57 5.08 -1.24 -2.60 114.58 118.90 1mwb h GLU 75 Ca 0.29 -0.43 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1mwb h GLU 75 Cb 0.04 0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1mwb h GLU 75 CO -0.05 1.21 -0.61 -0.91 -1.00 0.00 0.00 179.01 177.65 1mwb h ASN 76 N -0.42 0.33 0.43 1.42 2.35 -0.91 -3.37 115.58 115.41 1mwb h ASN 76 Ca -0.19 -0.96 0.00 0.00 -0.55 0.00 0.00 56.30 54.60 1mwb h ASN 76 Cb 1.63 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.89 1mwb h ASN 76 CO 0.10 1.29 -1.11 1.41 -1.65 0.00 0.00 177.43 177.46 1mwb n HIS 77 N -4.26 0.29 -2.56 1.19 8.25 0.18 -4.99 115.22 113.32 1mwb n HIS 77 Ca -0.13 0.08 -0.04 0.00 -0.26 0.00 0.00 57.72 57.37 1mwb n HIS 77 Cb 0.73 -0.47 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 1.35 0.50 3.72 -1.41 0.00 -0.31 -4.97 105.19 104.06 1mwb n GLY 78 Ca 0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.55 4.41 0.38 0.99 2.96 -1.17 -4.96 118.68 118.74 1mwb s LEU 79 Ca 0.08 2.07 0.04 0.00 -0.22 0.00 0.00 54.13 56.09 1mwb s LEU 79 Cb -0.03 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1mwb s LEU 79 CO 0.15 -0.41 0.12 0.54 -1.32 0.00 0.00 176.35 175.44 1mwb s ASN 80 N 0.67 2.58 0.40 3.68 4.22 -1.26 -4.62 114.94 120.61 1mwb s ASN 80 Ca 0.56 -1.61 0.11 0.00 -2.14 0.00 0.00 52.86 49.77 1mwb s ASN 80 Cb -0.30 0.40 0.92 0.00 1.28 0.00 0.00 41.25 43.55 1mwb s ASN 80 CO 0.32 -0.88 1.95 1.23 -2.04 0.00 0.00 177.10 177.68 1mwb h GLY 81 N 1.89 0.80 1.29 0.45 0.00 -1.97 -0.91 103.07 104.61 1mwb h GLY 81 Ca -0.36 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1mwb h GLY 81 CO 0.58 0.13 0.42 0.83 0.00 0.00 0.00 176.54 178.50 1mwb h GLU 82 N 0.55 0.94 -0.14 4.80 3.07 -1.98 -0.39 114.58 121.42 1mwb h GLU 82 Ca 0.32 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 1mwb h GLU 82 Cb 0.52 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1mwb h GLU 82 CO -0.11 0.66 0.07 0.45 -1.40 0.00 0.00 179.01 178.68 1mwb h HIS 83 N 0.96 0.21 -0.54 4.33 3.86 -1.56 -1.09 115.15 121.31 1mwb h HIS 83 Ca 0.25 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1mwb h HIS 83 Cb -0.04 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1mwb h HIS 83 CO 0.00 0.25 0.29 0.35 0.86 0.00 0.00 177.93 179.68 1mwb h PHE 84 N 0.11 0.76 -0.84 2.45 3.57 -1.36 -2.43 116.94 119.20 1mwb h PHE 84 Ca 0.05 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1mwb h PHE 84 Cb 0.12 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 1mwb h PHE 84 CO -0.03 0.57 0.55 0.22 -2.23 0.00 0.00 178.31 177.39 1mwb h ASP 85 N 0.73 0.88 -0.65 0.41 3.58 -0.87 -1.22 116.42 119.27 1mwb h ASP 85 Ca 0.19 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.65 1mwb h ASP 85 Cb 0.07 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 1mwb h ASP 85 CO -0.03 0.60 0.42 0.00 -2.88 0.00 0.00 179.24 177.34 1mwb h ALA 86 N 1.52 0.84 -0.44 -0.78 0.00 -0.70 -0.66 119.26 119.04 1mwb h ALA 86 Ca 0.34 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1mwb h ALA 86 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1mwb h ALA 86 CO -0.11 0.20 -0.18 0.28 0.00 0.00 0.00 179.25 179.43 1mwb h VAL 87 N 0.83 1.27 -0.89 0.00 2.07 -1.19 -2.85 116.25 115.49 1mwb h VAL 87 Ca 0.25 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1mwb h VAL 87 Cb -0.02 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1mwb h VAL 87 CO -0.09 0.44 0.47 0.00 0.02 0.00 0.00 177.57 178.42 1mwb h ALA 88 N 1.04 1.16 -0.50 1.67 0.00 -0.55 -2.15 119.26 119.92 1mwb h ALA 88 Ca 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1mwb h ALA 88 Cb 0.71 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1mwb h ALA 88 CO 0.05 0.67 0.11 0.93 0.00 0.00 0.00 179.25 181.01 1mwb h GLU 89 N 1.25 0.76 -0.36 0.00 4.39 -0.97 0.14 114.58 119.79 1mwb h GLU 89 Ca 0.31 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 1mwb h GLU 89 Cb 0.05 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1mwb h GLU 89 CO -0.05 0.70 0.21 -0.44 -1.16 0.00 0.00 179.01 178.27 1mwb h ASP 90 N 0.74 0.44 -0.25 1.42 3.32 -1.18 0.70 116.42 121.61 1mwb h ASP 90 Ca 0.16 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1mwb h ASP 90 Cb 0.29 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1mwb h ASP 90 CO -0.00 0.38 -0.17 0.25 -1.72 0.00 0.00 179.24 177.98 1mwb h LEU 91 N 0.47 0.57 -0.85 1.55 5.85 -1.13 -1.94 115.31 119.83 1mwb h LEU 91 Ca 0.13 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1mwb h LEU 91 Cb 0.02 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1mwb h LEU 91 CO -0.02 0.89 0.37 0.25 -0.34 0.00 0.00 178.44 179.58 1mwb h LEU 92 N 0.26 1.10 -0.86 2.25 5.85 -0.49 -2.47 115.31 120.95 1mwb h LEU 92 Ca 0.05 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 1mwb h LEU 92 Cb 0.70 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1mwb h LEU 92 CO 0.05 0.95 -0.08 0.00 -0.34 0.00 0.00 178.44 179.01 1mwb h ALA 93 N 1.21 1.04 -0.75 1.25 0.00 0.48 -2.89 119.26 119.60 1mwb h ALA 93 Ca 0.28 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1mwb h ALA 93 Cb 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1mwb h ALA 93 CO -0.03 0.59 0.48 1.15 0.00 0.00 0.00 179.25 181.44 1mwb h THR 94 N 0.70 1.14 -0.58 0.00 2.02 -0.89 -1.94 112.91 113.36 1mwb h THR 94 Ca 0.12 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1mwb h THR 94 Cb 0.55 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1mwb h THR 94 CO 0.03 0.17 0.19 -0.07 0.37 0.00 0.00 175.52 176.22 1mwb h LEU 95 N 0.96 0.80 -0.85 2.58 3.38 -1.31 -2.43 115.31 118.44 1mwb h LEU 95 Ca 0.29 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1mwb h LEU 95 Cb -0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1mwb h LEU 95 CO -0.09 0.74 0.45 0.11 0.09 0.00 0.00 178.44 179.74 1mwb h LYS 96 N 0.84 1.19 -0.44 1.13 1.57 -1.19 -2.24 116.57 117.44 1mwb h LYS 96 Ca 0.19 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1mwb h LYS 96 Cb 0.23 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1mwb h LYS 96 CO -0.01 0.89 -0.00 0.93 -0.57 0.00 0.00 179.45 180.68 1mwb h GLU 97 N 1.19 0.71 -0.08 3.15 5.08 -0.98 -2.19 114.58 121.47 1mwb h GLU 97 Ca 0.30 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1mwb h GLU 97 Cb 0.05 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1mwb h GLU 97 CO -0.05 0.73 0.00 0.52 -1.00 0.00 0.00 179.01 179.22 1mwb h MET 98 N 0.67 0.10 0.00 2.33 2.86 -0.95 -3.46 114.93 116.48 1mwb h MET 98 Ca 0.13 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1mwb h MET 98 Cb 0.42 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1mwb h MET 98 CO 0.02 0.11 0.00 0.41 1.06 0.00 0.00 176.91 178.51 1mwb n GLY 99 N -1.40 0.99 3.75 8.32 0.00 -0.82 -5.07 105.19 110.96 1mwb n GLY 99 Ca -0.02 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1mwb n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mwb s VAL 100 N -2.00 2.40 0.42 1.61 1.01 -1.18 -4.91 120.40 117.74 1mwb s VAL 100 Ca 0.00 0.34 -0.24 0.00 0.00 0.00 0.00 61.98 62.09 1mwb s VAL 100 Cb 0.00 -3.22 -0.11 0.00 0.00 0.00 0.00 36.38 33.05 1mwb s VAL 100 CO 0.00 0.06 0.86 -0.81 0.00 0.00 0.00 175.10 175.21 1mwb n PRO 101 N 2.04 1.07 -0.05 2.72 -0.04 -1.26 -4.73 135.00 134.75 1mwb n PRO 101 Ca 0.06 0.39 0.03 0.00 -0.04 0.00 0.00 63.50 63.94 1mwb n PRO 101 Cb 0.39 -1.86 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 0.93 -0.04 0.00 0.00 175.50 176.39 1mwb h GLU 102 N 1.28 0.63 -0.63 0.54 5.08 -1.99 -1.49 114.58 118.00 1mwb h GLU 102 Ca -0.43 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1mwb h GLU 102 Cb 1.36 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 1mwb h GLU 102 CO 0.55 0.42 0.40 -0.44 -1.00 0.00 0.00 179.01 178.93 1mwb h ASP 103 N 0.65 0.65 -0.21 1.42 3.32 -2.00 0.12 116.42 120.37 1mwb h ASP 103 Ca 0.18 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 1mwb h ASP 103 Cb -0.06 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1mwb h ASP 103 CO -0.04 0.46 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.45 1mwb h LEU 104 N 0.78 0.73 -1.21 1.55 -0.00 -1.76 -3.02 115.31 112.39 1mwb h LEU 104 Ca 0.25 -0.55 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1mwb h LEU 104 Cb 0.00 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 40.42 1mwb h LEU 104 CO -0.10 1.14 0.47 0.40 -0.00 0.00 0.00 178.44 180.36 1mwb h ILE 105 N 0.35 1.20 -0.73 1.22 2.04 -0.95 -1.58 117.51 119.06 1mwb h ILE 105 Ca 0.01 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1mwb h ILE 105 Cb 1.02 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1mwb h ILE 105 CO 0.09 0.21 0.37 0.00 0.00 0.00 0.00 178.15 178.82 1mwb h ALA 106 N 1.49 0.94 -0.41 1.87 0.00 -0.74 -2.13 119.26 120.29 1mwb h ALA 106 Ca 0.27 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1mwb h ALA 106 Cb -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1mwb h ALA 106 CO -0.05 0.49 -0.13 0.93 0.00 0.00 0.00 179.25 180.49 1mwb h GLU 107 N 1.02 0.73 -0.84 0.00 4.39 -1.26 -2.83 114.58 115.79 1mwb h GLU 107 Ca 0.25 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1mwb h GLU 107 Cb 0.10 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1mwb h GLU 107 CO -0.03 0.83 0.42 0.28 -1.16 0.00 0.00 179.01 179.35 1mwb h VAL 108 N 0.66 1.26 -0.50 3.13 2.07 -0.81 -2.21 116.25 119.85 1mwb h VAL 108 Ca 0.11 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1mwb h VAL 108 Cb 0.60 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1mwb h VAL 108 CO 0.04 0.30 0.12 0.00 0.02 0.00 0.00 177.57 178.05 1mwb h ALA 109 N 1.26 1.28 0.00 1.67 0.00 -1.16 -2.17 119.26 120.13 1mwb h ALA 109 Ca 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1mwb h ALA 109 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1mwb h ALA 109 CO -0.04 0.51 -0.20 0.00 0.00 0.00 0.00 179.25 179.52 1mwb h ALA 110 N 1.40 1.20 -0.77 0.00 0.00 -1.22 1.74 119.26 121.62 1mwb h ALA 110 Ca 0.16 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1mwb h ALA 110 Cb 0.27 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1mwb h ALA 110 CO -0.00 0.25 0.44 0.28 0.00 0.00 0.00 179.25 180.22 1mwb h VAL 111 N 0.00 0.96 0.00 0.00 2.07 -1.06 -3.26 116.25 114.96 1mwb h VAL 111 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1mwb h VAL 111 Cb 0.53 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1mwb h VAL 111 CO 0.03 0.14 -0.74 0.00 0.02 0.00 0.00 177.57 177.02 1mwb n ALA 112 N -2.36 1.99 0.12 1.67 0.00 -1.15 -4.49 120.51 116.29 1mwb n ALA 112 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.72 1mwb n ALA 112 Cb 0.21 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.39 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 0.00 0.00 -5.59 0.00 0.00 0.26 -3.43 103.07 94.31 1mwb h GLY 113 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1mwb h GLY 113 CO 0.00 0.00 0.95 0.00 0.00 0.00 0.00 176.54 177.49 1mwb n ALA 114 N -2.50 0.74 0.33 3.60 0.00 -1.23 -4.82 120.51 116.63 1mwb n ALA 114 Ca 0.04 0.36 0.21 0.00 0.00 0.00 0.00 53.44 54.05 1mwb n ALA 114 Cb 0.41 -2.39 1.11 0.00 0.00 0.00 0.00 19.45 18.58 1mwb n ALA 114 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mwb h PRO 115 N 7.75 0.00 -0.50 0.00 0.13 -1.96 -1.70 132.00 135.71 1mwb h PRO 115 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1mwb h PRO 115 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1mwb h PRO 115 CO 0.92 0.00 0.33 0.00 -0.23 0.00 0.00 178.00 179.03 1mwb h ALA 116 N 1.85 1.72 0.00 -0.56 0.00 -1.91 -1.10 119.26 119.25 1mwb h ALA 116 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 116 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1mwb h ALA 116 CO -0.00 0.23 -0.56 0.45 0.00 0.00 0.00 179.25 179.37 1mwb h HIS 117 N 0.61 0.00 -0.00 0.00 3.86 -1.59 -3.25 115.15 114.77 1mwb h HIS 117 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1mwb h HIS 117 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1mwb h HIS 117 CO -0.00 0.29 -0.14 1.63 0.86 0.00 0.00 177.93 180.57 1mwb n LYS 118 N -3.06 0.66 -0.13 2.45 5.02 -0.50 -3.98 118.16 118.62 1mwb n LYS 118 Ca 0.01 -0.25 -0.09 0.00 -2.02 0.00 0.00 58.31 55.95 1mwb n LYS 118 Cb 0.66 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.17 1mwb n LYS 118 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1mwb h ARG 119 N 0.61 0.60 -0.86 1.97 0.11 -1.38 -0.02 114.38 115.42 1mwb h ARG 119 Ca 0.00 -0.13 -0.03 0.00 0.10 0.00 0.00 59.98 59.93 1mwb h ARG 119 Cb 0.39 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.34 1mwb h ARG 119 CO 0.00 0.60 0.43 0.22 0.10 0.00 0.00 179.97 181.32 1mwb h ASP 120 N 0.48 1.11 0.48 0.08 3.58 -1.80 1.30 116.42 121.64 1mwb h ASP 120 Ca 0.13 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1mwb h ASP 120 Cb 0.25 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1mwb h ASP 120 CO -0.01 0.92 -0.23 0.58 -2.88 0.00 0.00 179.24 177.63 1mwb h VAL 121 N 1.22 0.00 -0.32 2.25 2.07 -1.72 -3.35 116.25 116.40 1mwb h VAL 121 Ca 0.30 -0.50 -0.18 0.00 0.82 0.00 0.00 66.70 67.14 1mwb h VAL 121 Cb 0.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1mwb h VAL 121 CO -0.04 0.00 -0.51 -0.07 0.02 0.00 0.00 177.57 176.97 1mwb h LEU 122 N -1.14 1.00 -1.37 2.57 3.38 -1.03 -3.38 115.31 115.33 1mwb h LEU 122 Ca -0.07 -0.52 -0.44 0.00 0.09 0.00 0.00 57.88 56.95 1mwb h LEU 122 Cb 0.49 -0.28 0.03 0.00 0.09 0.00 0.00 40.66 40.98 1mwb h LEU 122 CO 0.11 1.32 -0.79 0.59 0.09 0.00 0.00 178.44 179.76 1mwb n ASN 123 N -4.02 -3.11 0.00 -0.43 3.02 0.44 -4.89 115.26 106.27 1mwb n ASN 123 Ca -0.04 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1mwb n ASN 123 Cb 0.61 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64