#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 0.16 -0.94 2.46 1.35 -2.07 -2.87 112.91 111.00 1mwb h THR 3 Ca 0.00 -0.59 0.07 0.00 -0.55 0.00 0.00 66.41 65.34 1mwb h THR 3 Cb 0.00 1.50 -0.06 0.00 -1.73 0.00 0.00 68.15 67.85 1mwb h THR 3 CO 0.00 0.05 0.61 0.25 -0.25 0.00 0.00 175.52 176.18 1mwb h LEU 4 N 0.00 0.95 -1.48 3.87 6.46 -2.06 -0.26 115.31 122.79 1mwb h LEU 4 Ca -0.00 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1mwb h LEU 4 Cb 0.49 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1mwb h LEU 4 CO 0.01 0.60 -0.12 1.88 -0.62 0.00 0.00 178.44 180.19 1mwb h TYR 5 N 1.07 0.20 -0.97 1.25 0.05 -1.93 -2.52 116.97 114.12 1mwb h TYR 5 Ca 0.41 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 59.23 1mwb h TYR 5 Cb 0.20 -0.06 -0.06 0.00 1.01 0.00 0.00 36.73 37.82 1mwb h TYR 5 CO -0.00 0.31 0.62 1.49 -1.05 0.00 0.00 178.16 179.54 1mwb h GLU 6 N 0.18 1.11 -0.04 4.88 4.57 -1.17 1.97 114.58 126.09 1mwb h GLU 6 Ca 0.04 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1mwb h GLU 6 Cb 0.33 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1mwb h GLU 6 CO 0.02 0.74 0.02 -0.22 -1.18 0.00 0.00 179.01 178.38 1mwb h LYS 7 N 1.15 0.06 -0.00 1.92 3.64 -1.43 -2.70 116.57 119.20 1mwb h LYS 7 Ca 0.41 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.66 1mwb h LYS 7 Cb 0.14 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1mwb h LYS 7 CO -0.16 0.18 -0.57 -0.07 -2.27 0.00 0.00 179.45 176.56 1mwb h LEU 8 N -0.08 0.02 0.00 5.20 3.38 -1.37 -3.47 115.31 118.98 1mwb h LEU 8 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mwb h LEU 8 Cb 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1mwb h LEU 8 CO -0.00 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1mwb n GLY 9 N 0.11 2.08 6.44 0.83 0.00 0.66 -5.00 105.19 110.32 1mwb n GLY 9 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.85 1.74 5.76 -0.02 0.00 -0.74 -4.56 105.19 105.51 1mwb n GLY 10 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1mwb n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mwb n THR 11 N 0.00 0.00 -0.24 2.61 -1.04 -1.26 -0.53 114.28 113.83 1mwb n THR 11 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1mwb n THR 11 Cb 0.00 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.58 1mwb n THR 11 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1mwb h THR 12 N 0.00 1.08 -0.05 12.58 2.02 -1.98 0.90 112.91 127.46 1mwb h THR 12 Ca 0.00 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1mwb h THR 12 Cb 0.00 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1mwb h THR 12 CO 0.00 0.15 -0.04 0.00 0.37 0.00 0.00 175.52 175.99 1mwb h ALA 13 N 1.30 0.07 -0.54 6.16 0.00 -1.15 -1.15 119.26 123.95 1mwb h ALA 13 Ca 0.27 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1mwb h ALA 13 Cb 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1mwb h ALA 13 CO -0.11 -0.15 0.18 0.28 0.00 0.00 0.00 179.25 179.46 1mwb h VAL 14 N -0.32 1.23 -0.60 0.00 2.07 -1.63 -2.60 116.25 114.41 1mwb h VAL 14 Ca 0.01 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1mwb h VAL 14 Cb 0.53 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1mwb h VAL 14 CO 0.01 0.28 0.26 0.44 0.02 0.00 0.00 177.57 178.58 1mwb h ASP 15 N 0.73 0.78 -0.82 0.57 3.32 0.82 -2.42 116.42 119.41 1mwb h ASP 15 Ca 0.17 -0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.22 1mwb h ASP 15 Cb 0.25 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 1mwb h ASP 15 CO -0.01 0.68 0.47 0.25 -1.72 0.00 0.00 179.24 178.92 1mwb h LEU 16 N 0.85 0.69 -0.01 1.55 5.85 -0.80 1.59 115.31 125.02 1mwb h LEU 16 Ca 0.20 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1mwb h LEU 16 Cb 0.14 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1mwb h LEU 16 CO -0.02 0.40 -0.01 0.00 -0.34 0.00 0.00 178.44 178.47 1mwb h ALA 17 N 1.44 0.01 -0.32 1.25 0.00 -1.35 -2.41 119.26 117.89 1mwb h ALA 17 Ca 0.39 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1mwb h ALA 17 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1mwb h ALA 17 CO -0.23 -0.23 -0.15 0.28 0.00 0.00 0.00 179.25 178.92 1mwb h VAL 18 N -0.47 1.29 -0.22 0.00 2.07 -1.08 -1.92 116.25 115.92 1mwb h VAL 18 Ca 0.00 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.27 1mwb h VAL 18 Cb 0.52 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1mwb h VAL 18 CO 0.00 0.41 0.11 -0.78 0.02 0.00 0.00 177.57 177.33 1mwb h ASP 19 N 0.43 0.17 -0.37 0.57 3.58 0.22 -0.14 116.42 120.88 1mwb h ASP 19 Ca 0.07 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 1mwb h ASP 19 Cb 0.68 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1mwb h ASP 19 CO 0.05 0.13 0.08 0.50 -2.88 0.00 0.00 179.24 177.12 1mwb h LYS 20 N 0.24 0.60 -0.93 0.28 3.64 -1.45 -2.74 116.57 116.21 1mwb h LYS 20 Ca 0.09 -0.15 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1mwb h LYS 20 Cb 0.02 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.70 1mwb h LYS 20 CO -0.06 0.65 0.59 0.35 -2.27 0.00 0.00 179.45 178.72 1mwb h PHE 21 N 0.45 1.10 -0.56 1.91 3.57 -1.10 -1.69 116.94 120.63 1mwb h PHE 21 Ca 0.12 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1mwb h PHE 21 Cb 0.33 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1mwb h PHE 21 CO 0.02 0.57 0.35 -0.92 -2.23 0.00 0.00 178.31 176.10 1mwb h TYR 22 N 1.09 0.65 -0.72 0.41 5.03 -0.79 -2.38 116.97 120.27 1mwb h TYR 22 Ca 0.40 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.67 1mwb h TYR 22 Cb 0.15 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.19 1mwb h TYR 22 CO -0.02 0.38 0.21 0.93 -1.32 0.00 0.00 178.16 178.35 1mwb h GLU 23 N 0.70 1.12 -0.54 1.82 5.08 -1.07 -2.52 114.58 119.17 1mwb h GLU 23 Ca 0.22 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1mwb h GLU 23 Cb -0.01 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1mwb h GLU 23 CO -0.08 0.96 0.36 0.00 -1.00 0.00 0.00 179.01 179.24 1mwb h ARG 24 N 1.07 0.64 -0.30 2.33 3.08 -0.84 -1.10 114.38 119.26 1mwb h ARG 24 Ca 0.23 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1mwb h ARG 24 Cb 0.32 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1mwb h ARG 24 CO -0.01 0.42 0.18 0.28 -1.07 0.00 0.00 179.97 179.78 1mwb h VAL 25 N 0.65 1.10 -0.55 2.04 2.07 -1.03 -0.05 116.25 120.48 1mwb h VAL 25 Ca 0.21 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 1mwb h VAL 25 Cb 0.03 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1mwb h VAL 25 CO -0.05 0.10 -0.05 -0.07 0.02 0.00 0.00 177.57 177.51 1mwb h LEU 26 N 0.38 0.97 -1.48 2.57 3.38 -1.36 -2.76 115.31 117.01 1mwb h LEU 26 Ca 0.11 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1mwb h LEU 26 Cb -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1mwb h LEU 26 CO -0.02 1.05 -0.14 1.56 0.09 0.00 0.00 178.44 180.98 1mwb h GLN 27 N 0.89 0.16 -6.29 1.13 4.20 -0.84 -3.40 115.11 110.95 1mwb h GLN 27 Ca 0.15 -0.04 -0.54 0.00 0.06 0.00 0.00 58.65 58.29 1mwb h GLN 27 Cb 0.59 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 1mwb h GLN 27 CO 0.04 0.31 1.17 0.34 -0.67 0.00 0.00 178.83 180.02 1mwb s ASP 28 N -6.92 5.91 0.41 1.46 2.15 -0.07 -4.85 116.67 114.76 1mwb s ASP 28 Ca -0.05 0.33 0.10 0.00 0.43 0.00 0.00 52.55 53.36 1mwb s ASP 28 Cb 0.16 -2.54 0.87 0.00 -0.30 0.00 0.00 42.92 41.10 1mwb s ASP 28 CO 0.72 -1.87 1.98 -0.78 -0.17 0.00 0.00 175.17 175.04 1mwb h ASP 29 N 12.05 0.25 -0.99 -0.34 3.58 -1.84 0.12 116.42 129.25 1mwb h ASP 29 Ca -0.27 -0.03 0.13 0.00 0.42 0.00 0.00 57.03 57.27 1mwb h ASP 29 Cb 1.11 -0.06 -0.09 0.00 1.72 0.00 0.00 39.33 42.01 1mwb h ASP 29 CO 1.18 0.32 0.62 0.03 -2.88 0.00 0.00 179.24 178.52 1mwb h ARG 30 N 0.27 0.89 -0.01 0.28 3.08 -1.94 -2.73 114.38 114.22 1mwb h ARG 30 Ca 0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1mwb h ARG 30 Cb 0.23 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1mwb h ARG 30 CO 0.01 0.59 -0.10 0.44 -1.07 0.00 0.00 179.97 179.84 1mwb n ILE 31 N -4.63 0.00 -0.20 2.04 -5.35 -1.07 -4.62 119.36 105.54 1mwb n ILE 31 Ca 0.19 -0.45 0.08 0.00 -0.27 0.00 0.00 62.75 62.30 1mwb n ILE 31 Cb 0.40 1.13 0.37 0.00 -1.74 0.00 0.00 39.64 39.80 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 1.26 0.71 -0.79 6.28 3.64 -0.44 -0.81 116.57 126.42 1mwb h LYS 32 Ca 0.00 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1mwb h LYS 32 Cb 0.32 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1mwb h LYS 32 CO 0.00 0.47 0.51 1.12 -2.27 0.00 0.00 179.45 179.28 1mwb h HIS 33 N 0.73 0.76 -0.59 1.91 2.07 -1.82 2.41 115.15 120.61 1mwb h HIS 33 Ca 0.34 0.02 -0.11 0.00 -2.85 0.00 0.00 60.37 57.78 1mwb h HIS 33 Cb 0.38 -0.25 -0.02 0.00 2.57 0.00 0.00 27.41 30.09 1mwb h HIS 33 CO -0.00 0.35 -0.05 0.74 -3.07 0.00 0.00 177.93 175.91 1mwb h PHE 34 N 0.71 1.18 -0.68 6.12 0.04 -1.48 -2.93 116.94 119.90 1mwb h PHE 34 Ca 0.36 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1mwb h PHE 34 Cb 0.47 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1mwb h PHE 34 CO -0.00 1.05 0.00 1.19 -0.60 0.00 0.00 178.31 179.95 1mwb n PHE 35 N -4.16 0.90 -0.20 -0.55 3.72 -0.03 -4.44 117.46 112.70 1mwb n PHE 35 Ca 0.02 -0.45 0.04 0.00 -0.05 0.00 0.00 57.45 57.01 1mwb n PHE 35 Cb 0.37 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.22 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 4.36 1.59 -2.61 4.37 0.00 0.42 -3.34 119.26 124.05 1mwb h ALA 36 Ca 0.00 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.29 1mwb h ALA 36 Cb 0.98 -0.24 -0.39 0.00 0.00 0.00 0.00 17.79 18.13 1mwb h ALA 36 CO 0.00 0.33 -0.85 -0.51 0.00 0.00 0.00 179.25 178.22 1mwb s ASP 37 N -6.28 2.81 -0.11 0.00 1.01 -1.26 -5.07 116.67 107.77 1mwb s ASP 37 Ca -0.10 -2.44 -0.12 0.00 0.71 0.00 0.00 52.55 50.60 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 0.78 -0.27 0.33 -0.69 0.21 0.00 0.00 175.17 175.52 1mwb s VAL 38 N 0.73 0.01 0.04 -1.27 1.01 -1.26 -5.11 120.40 114.55 1mwb s VAL 38 Ca 0.21 -0.05 -0.34 0.00 0.00 0.00 0.00 61.98 61.79 1mwb s VAL 38 Cb -0.18 -0.48 -0.13 0.00 0.00 0.00 0.00 36.38 35.60 1mwb s VAL 38 CO -0.03 -0.03 1.72 -0.90 0.00 0.00 0.00 175.10 175.86 1mwb n ASP 39 N 2.72 3.23 -0.14 3.32 5.75 -1.26 -4.84 116.55 125.34 1mwb n ASP 39 Ca -0.14 1.03 0.08 0.00 -0.01 0.00 0.00 54.79 55.75 1mwb n ASP 39 Cb 0.58 -1.39 0.40 0.00 -1.03 0.00 0.00 41.12 39.67 1mwb n ASP 39 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 1mwb h MET 40 N 7.49 0.62 -0.26 0.11 2.86 -1.99 -2.40 114.93 121.35 1mwb h MET 40 Ca -0.47 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 1mwb h MET 40 Cb 1.26 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1mwb h MET 40 CO 0.92 0.41 0.14 0.00 1.06 0.00 0.00 176.91 179.44 1mwb h ALA 41 N 1.65 0.33 -0.61 6.32 0.00 -2.01 -2.28 119.26 122.66 1mwb h ALA 41 Ca 0.29 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1mwb h ALA 41 Cb 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1mwb h ALA 41 CO -0.09 -0.13 0.21 -0.22 0.00 0.00 0.00 179.25 179.01 1mwb h LYS 42 N 0.31 0.93 -0.77 0.00 1.63 -1.82 -2.80 116.57 114.05 1mwb h LYS 42 Ca 0.09 -0.19 0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1mwb h LYS 42 Cb 0.07 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 1mwb h LYS 42 CO -0.01 0.82 0.51 1.96 -3.45 0.00 0.00 179.45 179.27 1mwb h GLN 43 N 0.86 0.95 -0.89 1.90 4.20 -1.28 -1.87 115.11 118.99 1mwb h GLN 43 Ca 0.20 -0.06 0.11 0.00 0.06 0.00 0.00 58.65 58.96 1mwb h GLN 43 Cb 0.26 -0.21 -0.08 0.00 0.30 0.00 0.00 27.48 27.75 1mwb h GLN 43 CO -0.01 0.63 0.52 -0.09 -0.67 0.00 0.00 178.83 179.21 1mwb h ARG 44 N 0.98 0.82 -0.12 1.46 2.43 -1.13 0.74 114.38 119.57 1mwb h ARG 44 Ca 0.30 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.25 1mwb h ARG 44 Cb -0.01 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1mwb h ARG 44 CO -0.08 0.54 -0.61 0.00 -1.51 0.00 0.00 179.97 178.32 1mwb h ALA 45 N 1.49 0.23 0.10 2.80 0.00 -1.40 -2.20 119.26 120.28 1mwb h ALA 45 Ca 0.44 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1mwb h ALA 45 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mwb h ALA 45 CO -0.26 0.49 -0.05 1.25 0.00 0.00 0.00 179.25 180.67 1mwb h HIS 46 N 0.26 -0.12 -0.68 0.00 -0.00 -0.67 0.26 115.15 114.20 1mwb h HIS 46 Ca -0.04 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.27 1mwb h HIS 46 Cb 1.25 0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.67 1mwb h HIS 46 CO 0.11 -0.04 0.20 1.96 -0.00 0.00 0.00 177.93 180.16 1mwb h GLN 47 N -0.18 1.07 -0.68 5.26 1.08 -0.97 -1.79 115.11 118.89 1mwb h GLN 47 Ca -0.01 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 1mwb h GLN 47 Cb 0.14 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1mwb h GLN 47 CO 0.02 0.93 0.37 -0.22 -0.95 0.00 0.00 178.83 178.98 1mwb h LYS 48 N 1.01 0.96 -0.33 1.46 3.64 -1.21 -2.37 116.57 119.73 1mwb h LYS 48 Ca 0.22 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1mwb h LYS 48 Cb 0.32 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1mwb h LYS 48 CO -0.00 0.73 -0.12 0.00 -2.27 0.00 0.00 179.45 177.78 1mwb h ALA 49 N 1.18 1.19 -0.50 5.00 0.00 -0.69 -2.93 119.26 122.52 1mwb h ALA 49 Ca 0.24 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 49 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1mwb h ALA 49 CO -0.04 0.52 0.29 0.35 0.00 0.00 0.00 179.25 180.37 1mwb h PHE 50 N 0.51 0.53 -0.31 0.00 3.57 -0.80 0.30 116.94 120.74 1mwb h PHE 50 Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1mwb h PHE 50 Cb 0.51 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1mwb h PHE 50 CO 0.02 0.30 0.19 1.25 -2.23 0.00 0.00 178.31 177.84 1mwb h LEU 51 N 0.57 0.32 -0.59 0.59 6.46 -1.32 0.74 115.31 122.07 1mwb h LEU 51 Ca 0.20 -0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.89 1mwb h LEU 51 Cb 0.04 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 1mwb h LEU 51 CO -0.10 0.23 0.11 0.74 -0.62 0.00 0.00 178.44 178.79 1mwb h THR 52 N 0.39 1.26 -0.78 1.05 2.02 -1.34 -1.68 112.91 113.82 1mwb h THR 52 Ca 0.12 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1mwb h THR 52 Cb -0.02 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1mwb h THR 52 CO -0.04 0.36 0.36 0.22 0.37 0.00 0.00 175.52 176.78 1mwb h TYR 53 N 0.88 1.14 -0.27 3.16 3.20 0.01 -2.26 116.97 122.82 1mwb h TYR 53 Ca 0.18 -0.06 -0.15 0.00 3.14 0.00 0.00 58.73 61.84 1mwb h TYR 53 Cb 0.41 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1mwb h TYR 53 CO 0.03 0.84 -0.42 0.00 -1.64 0.00 0.00 178.16 176.96 1mwb h ALA 54 N 1.18 0.75 -0.42 1.82 0.00 -0.68 2.30 119.26 124.20 1mwb h ALA 54 Ca 0.27 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1mwb h ALA 54 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1mwb h ALA 54 CO -0.03 0.66 -0.01 0.74 0.00 0.00 0.00 179.25 180.61 1mwb h PHE 55 N 0.54 0.73 -0.45 0.00 -1.00 -1.04 -3.36 116.94 112.37 1mwb h PHE 55 Ca 0.04 -0.10 -0.26 0.00 2.81 0.00 0.00 57.97 60.46 1mwb h PHE 55 Cb 0.96 -0.20 -0.31 0.00 3.61 0.00 0.00 35.95 40.00 1mwb h PHE 55 CO 0.05 0.70 -0.86 0.41 -1.61 0.00 0.00 178.31 176.99 1mwb n GLY 56 N -0.69 1.68 0.34 -1.45 0.00 -0.87 -4.92 105.19 99.27 1mwb n GLY 56 Ca 0.02 -0.81 0.16 0.00 0.00 0.00 0.00 46.02 45.39 1mwb n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mwb h GLY 57 N 2.33 0.00 -7.28 -0.02 0.00 0.37 -3.39 103.07 95.08 1mwb h GLY 57 Ca -0.21 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.60 1mwb h GLY 57 CO 0.17 0.00 1.42 -0.51 0.00 0.00 0.00 176.54 177.62 1mwb s THR 58 N -5.00 3.26 0.02 4.70 -4.23 -1.25 -4.86 115.64 108.29 1mwb s THR 58 Ca -0.05 0.21 -0.29 0.00 -1.18 0.00 0.00 61.69 60.38 1mwb s THR 58 Cb 0.19 -3.51 0.11 0.00 1.34 0.00 0.00 72.50 70.62 1mwb s THR 58 CO 0.70 -0.44 1.21 1.51 -0.54 0.00 0.00 174.62 177.06 1mwb s ASP 59 N 8.58 -0.09 -0.49 3.99 1.47 -1.26 -5.12 116.67 123.76 1mwb s ASP 59 Ca 0.82 -0.20 -0.24 0.00 1.18 0.00 0.00 52.55 54.11 1mwb s ASP 59 Cb -0.19 0.24 0.03 0.00 -0.34 0.00 0.00 42.92 42.66 1mwb s ASP 59 CO 0.27 -0.45 0.89 -0.54 0.68 0.00 0.00 175.17 176.03 1mwb s LYS 60 N -2.64 3.43 0.00 2.11 1.02 -1.26 -5.01 119.74 117.40 1mwb s LYS 60 Ca 0.14 -0.05 -0.00 0.00 0.02 0.00 0.00 55.97 56.08 1mwb s LYS 60 Cb 0.03 -3.97 -0.01 0.00 -0.52 0.00 0.00 37.83 33.37 1mwb s LYS 60 CO -0.02 -1.28 -0.00 -0.47 -0.92 0.00 0.00 175.35 172.66 1mwb s TYR 61 N 3.69 0.07 -0.05 3.18 5.04 -1.26 -5.15 117.35 122.87 1mwb s TYR 61 Ca 0.33 -0.15 -0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1mwb s TYR 61 Cb -0.11 -0.06 0.03 0.00 0.35 0.00 0.00 41.96 42.17 1mwb s TYR 61 CO 0.23 -0.06 -0.01 0.34 -1.34 0.00 0.00 175.55 174.71 1mwb s ASP 62 N -0.44 1.15 -0.36 4.32 2.15 -1.26 -5.09 116.67 117.14 1mwb s ASP 62 Ca -0.05 -0.08 0.02 0.00 0.43 0.00 0.00 52.55 52.87 1mwb s ASP 62 Cb -0.03 -0.38 0.19 0.00 -0.30 0.00 0.00 42.92 42.39 1mwb s ASP 62 CO -0.00 -0.14 0.77 -0.83 -0.17 0.00 0.00 175.17 174.79 1mwb s GLY 63 N 1.50 -1.32 0.53 2.66 0.00 -1.26 -5.00 107.32 104.43 1mwb s GLY 63 Ca -0.02 0.75 0.23 0.00 0.00 0.00 0.00 44.72 45.68 1mwb s GLY 63 CO -0.03 3.88 2.04 3.21 0.00 0.00 0.00 173.10 182.19 1mwb h ARG 64 N 6.73 0.00 -0.95 2.90 3.08 -2.01 -0.93 114.38 123.21 1mwb h ARG 64 Ca 0.01 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.18 1mwb h ARG 64 Cb 1.20 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.16 1mwb h ARG 64 CO 0.05 0.00 0.57 -0.92 -1.07 0.00 0.00 179.97 178.60 1mwb h TYR 65 N 0.00 1.04 -0.78 3.04 5.03 -1.98 0.13 116.97 123.45 1mwb h TYR 65 Ca 0.19 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.55 1mwb h TYR 65 Cb 0.75 -0.32 -0.04 0.00 1.55 0.00 0.00 36.73 38.66 1mwb h TYR 65 CO 0.00 0.40 0.50 0.52 -1.32 0.00 0.00 178.16 178.26 1mwb h MET 66 N 0.91 0.96 -0.11 1.82 0.00 -1.56 0.48 114.93 117.43 1mwb h MET 66 Ca 0.47 -0.06 -0.10 0.00 0.00 0.00 0.00 59.70 60.02 1mwb h MET 66 Cb 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 31.60 31.87 1mwb h MET 66 CO -0.27 0.63 -0.30 0.00 0.00 0.00 0.00 176.91 176.96 1mwb h ARG 67 N 0.99 0.40 -0.92 1.72 3.08 -1.30 -0.79 114.38 117.55 1mwb h ARG 67 Ca 0.30 -0.28 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1mwb h ARG 67 Cb -0.02 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1mwb h ARG 67 CO -0.10 0.90 0.59 1.49 -1.07 0.00 0.00 179.97 181.78 1mwb h GLU 68 N -0.04 1.06 0.19 0.04 4.22 -0.50 0.61 114.58 120.16 1mwb h GLU 68 Ca -0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1mwb h GLU 68 Cb 0.92 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1mwb h GLU 68 CO 0.07 0.70 -0.09 0.00 -2.18 0.00 0.00 179.01 177.51 1mwb h ALA 69 N 1.41 -0.25 -0.85 2.92 0.00 -0.93 -2.87 119.26 118.68 1mwb h ALA 69 Ca 0.39 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1mwb h ALA 69 Cb 0.11 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1mwb h ALA 69 CO -0.15 -0.25 0.56 0.45 0.00 0.00 0.00 179.25 179.85 1mwb h HIS 70 N -1.04 1.05 -0.16 0.00 3.86 -1.11 -1.83 115.15 115.92 1mwb h HIS 70 Ca -0.03 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1mwb h HIS 70 Cb 0.30 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1mwb h HIS 70 CO 0.03 0.64 -0.14 1.57 0.86 0.00 0.00 177.93 180.89 1mwb h LYS 71 N 1.12 0.25 -0.82 2.45 5.09 0.10 -1.88 116.57 122.87 1mwb h LYS 71 Ca 0.32 -0.06 0.04 0.00 0.09 0.00 0.00 60.65 61.05 1mwb h LYS 71 Cb -0.08 -0.03 -0.05 0.00 0.10 0.00 0.00 32.23 32.17 1mwb h LYS 71 CO -0.09 0.39 0.54 1.49 -2.09 0.00 0.00 179.45 179.70 1mwb h GLU 72 N 0.23 0.97 -0.29 0.07 4.57 -1.10 -0.83 114.58 118.20 1mwb h GLU 72 Ca 0.05 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 1mwb h GLU 72 Cb 0.39 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1mwb h GLU 72 CO 0.02 0.64 -0.21 -0.07 -1.18 0.00 0.00 179.01 178.21 1mwb h LEU 73 N 1.00 0.55 -1.00 1.64 3.38 -1.20 -0.29 115.31 119.38 1mwb h LEU 73 Ca 0.33 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1mwb h LEU 73 Cb 0.07 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1mwb h LEU 73 CO -0.10 0.76 0.59 0.58 0.09 0.00 0.00 178.44 180.36 1mwb h VAL 74 N 0.49 1.25 0.07 1.22 2.07 -0.95 0.49 116.25 120.89 1mwb h VAL 74 Ca 0.08 -0.52 -0.17 0.00 0.82 0.00 0.00 66.70 66.90 1mwb h VAL 74 Cb 0.63 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1mwb h VAL 74 CO 0.04 0.26 -0.87 -0.33 0.02 0.00 0.00 177.57 176.69 1mwb h GLU 75 N 1.30 0.14 0.01 1.57 5.08 -1.29 -2.57 114.58 118.82 1mwb h GLU 75 Ca 0.34 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 1mwb h GLU 75 Cb -0.09 0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1mwb h GLU 75 CO -0.07 1.12 -0.46 -0.91 -1.00 0.00 0.00 179.01 177.68 1mwb h ASN 76 N -0.64 0.39 0.25 1.42 2.35 -1.04 -3.36 115.58 114.95 1mwb h ASN 76 Ca -0.20 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 54.77 1mwb h ASN 76 Cb 1.44 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1mwb h ASN 76 CO 0.01 1.13 -1.25 1.41 -1.65 0.00 0.00 177.43 177.08 1mwb n HIS 77 N -4.33 0.17 -2.52 1.19 8.25 0.15 -5.00 115.22 113.13 1mwb n HIS 77 Ca -0.10 0.05 -0.05 0.00 -0.26 0.00 0.00 57.72 57.36 1mwb n HIS 77 Cb 0.61 -0.37 0.02 0.00 1.12 0.00 0.00 29.99 31.37 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 1.37 0.43 3.72 -1.41 0.00 -0.20 -4.97 105.19 104.12 1mwb n GLY 78 Ca 0.01 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.73 4.43 0.40 0.99 2.96 -1.15 -4.96 118.68 118.63 1mwb s LEU 79 Ca 0.06 1.85 0.04 0.00 -0.22 0.00 0.00 54.13 55.86 1mwb s LEU 79 Cb -0.03 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 1mwb s LEU 79 CO 0.16 -0.24 0.13 0.54 -1.32 0.00 0.00 176.35 175.62 1mwb s ASN 80 N 0.54 2.74 0.50 3.68 4.22 -1.26 -4.59 114.94 120.77 1mwb s ASN 80 Ca 0.52 -1.67 0.19 0.00 -2.14 0.00 0.00 52.86 49.76 1mwb s ASN 80 Cb -0.25 0.50 1.26 0.00 1.28 0.00 0.00 41.25 44.04 1mwb s ASN 80 CO 0.30 -0.93 2.03 1.23 -2.04 0.00 0.00 177.10 177.69 1mwb h GLY 81 N 1.81 0.17 0.93 0.45 0.00 -1.99 -1.36 103.07 103.08 1mwb h GLY 81 Ca -0.35 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 46.96 1mwb h GLY 81 CO 0.56 0.03 0.66 0.83 0.00 0.00 0.00 176.54 178.62 1mwb h GLU 82 N 0.12 1.25 -0.23 4.80 5.08 -1.99 1.00 114.58 124.62 1mwb h GLU 82 Ca 0.19 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1mwb h GLU 82 Cb 0.61 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1mwb h GLU 82 CO -0.02 0.83 0.05 0.45 -1.00 0.00 0.00 179.01 179.31 1mwb h HIS 83 N 1.29 0.39 -0.71 4.33 3.86 -1.65 -2.31 115.15 120.34 1mwb h HIS 83 Ca 0.39 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1mwb h HIS 83 Cb -0.05 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.28 1mwb h HIS 83 CO -0.00 0.48 0.46 0.35 0.86 0.00 0.00 177.93 180.08 1mwb h PHE 84 N 0.18 0.91 -0.92 2.45 3.57 -1.34 -2.24 116.94 119.56 1mwb h PHE 84 Ca 0.07 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1mwb h PHE 84 Cb 0.30 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1mwb h PHE 84 CO 0.02 0.59 0.60 -0.44 -2.23 0.00 0.00 178.31 176.85 1mwb h ASP 85 N 0.97 0.97 -0.50 0.41 3.32 -0.65 0.51 116.42 121.45 1mwb h ASP 85 Ca 0.26 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.32 1mwb h ASP 85 Cb -0.08 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1mwb h ASP 85 CO -0.05 0.65 0.31 0.00 -1.72 0.00 0.00 179.24 178.43 1mwb h ALA 86 N 1.48 0.63 -0.40 3.45 0.00 -0.83 0.24 119.26 123.83 1mwb h ALA 86 Ca 0.37 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 1mwb h ALA 86 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1mwb h ALA 86 CO -0.12 0.04 -0.35 0.28 0.00 0.00 0.00 179.25 179.09 1mwb h VAL 87 N 0.64 1.27 -0.17 0.00 2.07 -1.21 -2.72 116.25 116.12 1mwb h VAL 87 Ca 0.19 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 1mwb h VAL 87 Cb -0.03 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1mwb h VAL 87 CO -0.06 0.51 0.04 0.00 0.02 0.00 0.00 177.57 178.08 1mwb h ALA 88 N 0.79 0.23 -0.51 1.67 0.00 -0.50 -2.86 119.26 118.07 1mwb h ALA 88 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mwb h ALA 88 Cb 0.95 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1mwb h ALA 88 CO 0.09 -0.12 0.32 0.93 0.00 0.00 0.00 179.25 180.47 1mwb h GLU 89 N 0.09 0.68 -0.96 0.00 5.08 -0.55 -1.79 114.58 117.13 1mwb h GLU 89 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1mwb h GLU 89 Cb 0.28 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1mwb h GLU 89 CO 0.00 0.47 0.61 -0.44 -1.00 0.00 0.00 179.01 178.64 1mwb h ASP 90 N 0.70 1.13 -0.56 1.42 3.32 -1.27 -1.58 116.42 119.58 1mwb h ASP 90 Ca 0.19 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1mwb h ASP 90 Cb -0.05 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 1mwb h ASP 90 CO -0.04 0.84 0.18 0.25 -1.72 0.00 0.00 179.24 178.76 1mwb h LEU 91 N 1.31 0.81 -1.04 1.55 5.85 -1.12 -2.71 115.31 119.97 1mwb h LEU 91 Ca 0.35 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1mwb h LEU 91 Cb -0.10 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 1mwb h LEU 91 CO -0.07 0.80 0.20 -0.07 -0.34 0.00 0.00 178.44 178.96 1mwb h LEU 92 N 0.78 0.82 -1.02 2.25 -0.00 -1.13 -2.60 115.31 114.42 1mwb h LEU 92 Ca 0.18 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1mwb h LEU 92 Cb 0.27 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 40.68 1mwb h LEU 92 CO -0.01 0.77 0.49 0.00 -0.00 0.00 0.00 178.44 179.69 1mwb h ALA 93 N 1.35 1.26 -0.65 1.53 0.00 -1.00 -2.53 119.26 119.22 1mwb h ALA 93 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mwb h ALA 93 Cb 0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1mwb h ALA 93 CO -0.01 0.62 0.35 1.15 0.00 0.00 0.00 179.25 181.36 1mwb h THR 94 N 1.19 1.21 -0.58 0.00 2.02 -1.23 -2.59 112.91 112.94 1mwb h THR 94 Ca 0.30 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1mwb h THR 94 Cb -0.01 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1mwb h THR 94 CO -0.05 0.23 0.23 -0.07 0.37 0.00 0.00 175.52 176.22 1mwb h LEU 95 N 0.89 0.76 -0.96 2.58 3.38 -1.34 -2.25 115.31 118.38 1mwb h LEU 95 Ca 0.23 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1mwb h LEU 95 Cb 0.06 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1mwb h LEU 95 CO -0.04 0.69 0.62 0.11 0.09 0.00 0.00 178.44 179.91 1mwb h LYS 96 N 0.82 1.16 -0.45 1.13 1.57 -1.07 -1.14 116.57 118.59 1mwb h LYS 96 Ca 0.20 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1mwb h LYS 96 Cb 0.17 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1mwb h LYS 96 CO -0.02 0.76 -0.11 0.93 -0.57 0.00 0.00 179.45 180.44 1mwb h GLU 97 N 1.19 0.81 -0.34 3.15 5.08 -1.28 -2.51 114.58 120.68 1mwb h GLU 97 Ca 0.39 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1mwb h GLU 97 Cb 0.03 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1mwb h GLU 97 CO -0.13 0.89 0.14 0.52 -1.00 0.00 0.00 179.01 179.43 1mwb h MET 98 N 0.73 0.47 0.00 2.33 2.86 -0.76 -3.46 114.93 117.10 1mwb h MET 98 Ca 0.12 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1mwb h MET 98 Cb 0.61 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1mwb h MET 98 CO 0.04 0.39 0.00 0.41 1.06 0.00 0.00 176.91 178.81 1mwb n GLY 99 N -1.25 1.03 3.76 8.32 0.00 -0.61 -5.06 105.19 111.39 1mwb n GLY 99 Ca 0.02 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 2.63 0.46 1.61 1.01 -1.19 -4.92 120.40 118.00 1mwb s VAL 100 Ca 0.00 0.59 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 1mwb s VAL 100 Cb 0.00 -3.37 -0.12 0.00 0.00 0.00 0.00 36.38 32.89 1mwb s VAL 100 CO 0.00 0.12 0.50 -0.81 0.00 0.00 0.00 175.10 174.91 1mwb n PRO 101 N 1.43 0.53 -0.01 2.72 -0.04 -1.26 -4.73 135.00 133.65 1mwb n PRO 101 Ca 0.03 0.20 0.04 0.00 -0.04 0.00 0.00 63.50 63.72 1mwb n PRO 101 Cb 0.41 -1.52 0.42 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.64 0.55 -0.68 0.54 4.11 -2.00 -2.28 114.58 115.46 1mwb h GLU 102 Ca -0.42 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.00 1mwb h GLU 102 Cb 1.40 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1mwb h GLU 102 CO 0.50 0.37 0.44 -0.44 0.07 0.00 0.00 179.01 179.94 1mwb h ASP 103 N 0.57 0.74 -0.18 3.06 3.32 -2.02 -2.35 116.42 119.56 1mwb h ASP 103 Ca 0.15 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 1mwb h ASP 103 Cb -0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1mwb h ASP 103 CO -0.03 0.53 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.61 1mwb h LEU 104 N 0.88 0.72 -0.61 1.55 -0.00 -1.76 -3.01 115.31 113.07 1mwb h LEU 104 Ca 0.26 -0.30 0.09 0.00 -0.00 0.00 0.00 57.88 57.94 1mwb h LEU 104 Cb -0.05 -0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 40.34 1mwb h LEU 104 CO -0.08 0.99 0.23 0.40 -0.00 0.00 0.00 178.44 179.99 1mwb h ILE 105 N 0.58 0.77 -0.55 1.22 1.08 -0.99 -0.69 117.51 118.94 1mwb h ILE 105 Ca 0.06 -0.14 -0.08 0.00 -0.39 0.00 0.00 64.86 64.31 1mwb h ILE 105 Cb 0.84 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 1mwb h ILE 105 CO 0.07 0.08 0.03 0.00 -0.69 0.00 0.00 178.15 177.64 1mwb h ALA 106 N 1.42 1.01 -0.51 1.87 0.00 -1.43 -2.87 119.26 118.76 1mwb h ALA 106 Ca 0.31 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1mwb h ALA 106 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1mwb h ALA 106 CO -0.30 0.61 0.05 0.93 0.00 0.00 0.00 179.25 180.54 1mwb h GLU 107 N 0.86 0.81 -0.76 0.00 5.08 -1.11 -2.77 114.58 116.69 1mwb h GLU 107 Ca 0.17 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1mwb h GLU 107 Cb 0.47 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1mwb h GLU 107 CO 0.02 0.79 0.40 0.28 -1.00 0.00 0.00 179.01 179.50 1mwb h VAL 108 N 0.77 1.23 -0.44 3.13 2.07 -0.95 -2.34 116.25 119.72 1mwb h VAL 108 Ca 0.16 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 1mwb h VAL 108 Cb 0.40 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1mwb h VAL 108 CO 0.01 0.26 0.03 0.00 0.02 0.00 0.00 177.57 177.90 1mwb h ALA 109 N 1.21 1.24 0.00 1.67 0.00 -1.40 -2.36 119.26 119.61 1mwb h ALA 109 Ca 0.27 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1mwb h ALA 109 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1mwb h ALA 109 CO -0.04 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.53 1mwb h ALA 110 N 1.38 1.40 -0.81 0.00 0.00 -1.16 2.13 119.26 122.20 1mwb h ALA 110 Ca 0.14 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1mwb h ALA 110 Cb 0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1mwb h ALA 110 CO 0.01 0.23 0.51 0.28 0.00 0.00 0.00 179.25 180.28 1mwb h VAL 111 N 0.00 1.09 0.00 0.00 2.07 -1.12 -3.24 116.25 115.05 1mwb h VAL 111 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1mwb h VAL 111 Cb 0.41 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1mwb h VAL 111 CO 0.02 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1mwb n ALA 112 N -2.34 2.15 1.79 1.67 0.00 -1.09 -3.79 120.51 118.89 1mwb n ALA 112 Ca 0.10 -0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.50 1mwb n ALA 112 Cb 0.12 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.39 1mwb n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mwb n GLY 113 N 0.63 -0.89 3.77 0.00 0.00 0.72 -4.65 105.19 104.76 1mwb n GLY 113 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 0.54 4.61 0.00 -1.24 -4.90 121.76 122.06 1mwb s ALA 114 Ca 0.41 1.04 0.26 0.00 0.00 0.00 0.00 51.96 53.68 1mwb s ALA 114 Cb 0.19 -3.40 1.43 0.00 0.00 0.00 0.00 23.12 21.34 1mwb s ALA 114 CO 0.32 -0.51 1.98 -1.00 0.00 0.00 0.00 175.76 176.55 1mwb h PRO 115 N 3.04 0.00 -0.74 0.00 0.13 -1.96 -1.46 132.00 131.01 1mwb h PRO 115 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1mwb h PRO 115 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1mwb h PRO 115 CO 0.64 0.00 0.42 0.00 -0.23 0.00 0.00 178.00 178.83 1mwb h ALA 116 N 1.69 0.95 -0.87 -0.56 0.00 -1.93 -2.56 119.26 115.98 1mwb h ALA 116 Ca 0.26 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1mwb h ALA 116 Cb 1.08 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1mwb h ALA 116 CO -0.00 0.45 0.55 0.45 0.00 0.00 0.00 179.25 180.70 1mwb h HIS 117 N 1.02 1.04 -0.84 0.00 3.86 -1.53 -1.89 115.15 116.80 1mwb h HIS 117 Ca 0.26 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.51 1mwb h HIS 117 Cb 0.01 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.10 1mwb h HIS 117 CO -0.00 0.57 0.56 0.87 0.86 0.00 0.00 177.93 180.79 1mwb h LYS 118 N 1.06 1.11 -0.71 2.45 1.57 -1.51 -2.42 116.57 118.12 1mwb h LYS 118 Ca 0.36 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1mwb h LYS 118 Cb 0.06 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 32.08 1mwb h LYS 118 CO -0.14 0.74 0.44 -0.09 -0.57 0.00 0.00 179.45 179.83 1mwb h ARG 119 N 1.14 0.83 -0.83 3.15 2.43 -1.13 0.60 114.38 120.57 1mwb h ARG 119 Ca 0.31 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.39 1mwb h ARG 119 Cb -0.13 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.20 1mwb h ARG 119 CO -0.07 0.55 0.38 0.22 -1.51 0.00 0.00 179.97 179.54 1mwb h ASP 120 N 0.85 1.10 0.00 -3.80 3.58 -1.32 0.14 116.42 116.97 1mwb h ASP 120 Ca 0.29 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1mwb h ASP 120 Cb 0.05 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1mwb h ASP 120 CO -0.12 0.94 -0.01 0.58 -2.88 0.00 0.00 179.24 177.74 1mwb h VAL 121 N 1.18 0.00 -0.90 2.25 2.07 -1.16 -3.39 116.25 116.30 1mwb h VAL 121 Ca 0.28 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1mwb h VAL 121 Cb 0.15 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1mwb h VAL 121 CO -0.03 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 178.01 1mwb h LEU 122 N -0.07 1.10 -1.28 2.57 3.38 0.04 -3.36 115.31 117.70 1mwb h LEU 122 Ca 0.00 -0.08 -0.44 0.00 0.09 0.00 0.00 57.88 57.45 1mwb h LEU 122 Cb 0.01 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.51 1mwb h LEU 122 CO 0.00 0.86 -0.78 0.59 0.09 0.00 0.00 178.44 179.20 1mwb n ASN 123 N -4.35 -3.56 0.00 -0.43 3.02 0.04 -4.84 115.26 105.15 1mwb n ASN 123 Ca 0.10 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1mwb n ASN 123 Cb 0.07 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64