#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 1.18 -0.90 0.44 1.03 -2.03 -2.54 112.91 110.08 1mwb h THR 3 Ca 0.00 -0.82 0.14 0.00 -0.01 0.00 0.00 66.41 65.72 1mwb h THR 3 Cb 0.00 1.38 -0.07 0.00 -1.07 0.00 0.00 68.15 68.38 1mwb h THR 3 CO 0.00 0.24 0.58 0.25 -0.01 0.00 0.00 175.52 176.58 1mwb h LEU 4 N 0.07 0.70 -2.03 0.00 5.85 -2.03 0.27 115.31 118.13 1mwb h LEU 4 Ca 0.01 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1mwb h LEU 4 Cb 0.41 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1mwb h LEU 4 CO 0.03 0.36 -0.09 1.88 -0.34 0.00 0.00 178.44 180.28 1mwb h TYR 5 N 0.74 0.00 -0.95 1.25 0.05 -1.80 -2.44 116.97 113.82 1mwb h TYR 5 Ca 0.45 0.00 0.18 0.00 0.05 0.00 0.00 58.73 59.41 1mwb h TYR 5 Cb 0.66 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.32 1mwb h TYR 5 CO -0.00 0.09 0.60 1.49 -1.05 0.00 0.00 178.16 179.30 1mwb h GLU 6 N 0.00 0.61 -0.41 4.88 4.22 -0.57 0.62 114.58 123.92 1mwb h GLU 6 Ca -0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 1mwb h GLU 6 Cb 0.26 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1mwb h GLU 6 CO 0.01 0.40 0.22 0.87 -2.18 0.00 0.00 179.01 178.34 1mwb h LYS 7 N 0.62 0.56 -0.17 1.92 1.57 -1.55 0.66 116.57 120.17 1mwb h LYS 7 Ca 0.51 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1mwb h LYS 7 Cb 0.96 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1mwb h LYS 7 CO -0.26 0.41 0.00 1.28 -0.57 0.00 0.00 179.45 180.31 1mwb n LEU 8 N -4.43 1.24 0.00 2.94 4.77 0.17 -4.83 117.00 116.85 1mwb n LEU 8 Ca 0.03 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1mwb n LEU 8 Cb 0.10 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1mwb n LEU 8 CO 0.36 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1mwb n GLY 9 N 0.97 0.88 0.00 -0.72 0.00 0.22 -4.76 105.19 101.79 1mwb n GLY 9 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mwb n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwb n GLY 10 N -2.20 1.85 0.17 -0.02 0.00 0.15 -4.41 105.19 100.74 1mwb n GLY 10 Ca 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.09 1mwb n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwb h THR 11 N 0.00 1.37 -1.01 2.61 1.03 -1.84 -3.08 112.91 112.00 1mwb h THR 11 Ca 0.00 -1.90 0.03 0.00 -0.01 0.00 0.00 66.41 64.54 1mwb h THR 11 Cb 0.00 1.94 -0.06 0.00 -1.07 0.00 0.00 68.15 68.96 1mwb h THR 11 CO 0.00 0.56 0.66 0.71 -0.01 0.00 0.00 175.52 177.44 1mwb h THR 12 N 0.19 1.19 -0.55 0.00 1.35 -1.95 0.38 112.91 113.51 1mwb h THR 12 Ca -0.00 -0.44 -0.11 0.00 -0.55 0.00 0.00 66.41 65.30 1mwb h THR 12 Cb 1.05 -0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.24 1mwb h THR 12 CO 0.09 0.24 -0.09 0.00 -0.25 0.00 0.00 175.52 175.50 1mwb h ALA 13 N 1.40 0.79 -0.28 6.62 0.00 -1.75 -1.39 119.26 124.66 1mwb h ALA 13 Ca 0.40 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1mwb h ALA 13 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1mwb h ALA 13 CO -0.12 0.67 0.07 0.28 0.00 0.00 0.00 179.25 180.15 1mwb h VAL 14 N 0.92 1.22 -0.74 0.00 2.07 -1.27 -2.22 116.25 116.23 1mwb h VAL 14 Ca 0.15 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1mwb h VAL 14 Cb 0.65 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1mwb h VAL 14 CO 0.05 0.24 0.37 -0.78 0.02 0.00 0.00 177.57 177.46 1mwb h ASP 15 N 0.29 0.94 -0.85 0.57 3.58 -0.86 -2.10 116.42 117.99 1mwb h ASP 15 Ca 0.09 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1mwb h ASP 15 Cb 0.30 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 1mwb h ASP 15 CO 0.00 0.79 0.52 0.25 -2.88 0.00 0.00 179.24 177.91 1mwb h LEU 16 N 1.04 1.03 -0.70 2.28 7.12 -1.00 -1.51 115.31 123.57 1mwb h LEU 16 Ca 0.26 -0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.17 1mwb h LEU 16 Cb 0.08 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 39.92 1mwb h LEU 16 CO -0.04 0.79 0.31 0.00 -0.13 0.00 0.00 178.44 179.38 1mwb h ALA 17 N 1.38 0.91 -0.33 1.25 0.00 -0.77 -1.32 119.26 120.38 1mwb h ALA 17 Ca 0.31 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1mwb h ALA 17 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1mwb h ALA 17 CO -0.06 0.51 0.02 0.28 0.00 0.00 0.00 179.25 180.00 1mwb h VAL 18 N 0.99 1.25 -0.54 0.00 2.07 -1.11 0.27 116.25 119.19 1mwb h VAL 18 Ca 0.24 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1mwb h VAL 18 Cb 0.17 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1mwb h VAL 18 CO -0.02 0.30 0.35 -0.78 0.02 0.00 0.00 177.57 177.43 1mwb h ASP 19 N 0.38 0.63 -0.14 0.57 3.58 -1.10 0.25 116.42 120.59 1mwb h ASP 19 Ca 0.10 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 1mwb h ASP 19 Cb 0.41 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1mwb h ASP 19 CO 0.01 0.48 -0.02 0.50 -2.88 0.00 0.00 179.24 177.33 1mwb h LYS 20 N 0.73 0.27 -0.82 0.28 3.64 -1.15 -2.96 116.57 116.55 1mwb h LYS 20 Ca 0.20 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1mwb h LYS 20 Cb -0.06 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1mwb h LYS 20 CO -0.04 0.53 0.53 0.35 -2.27 0.00 0.00 179.45 178.55 1mwb h PHE 21 N -0.02 1.04 -0.64 1.91 3.57 -0.73 -2.37 116.94 119.70 1mwb h PHE 21 Ca 0.04 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1mwb h PHE 21 Cb 0.42 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 1mwb h PHE 21 CO 0.04 0.66 0.31 -0.92 -2.23 0.00 0.00 178.31 176.18 1mwb h TYR 22 N 1.11 0.56 -0.43 0.41 3.20 -0.38 -1.85 116.97 119.60 1mwb h TYR 22 Ca 0.30 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 1mwb h TYR 22 Cb -0.11 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1mwb h TYR 22 CO 0.00 0.22 -0.07 0.93 -1.64 0.00 0.00 178.16 177.60 1mwb h GLU 23 N 0.56 0.75 -0.81 1.82 4.39 -1.28 -2.80 114.58 117.21 1mwb h GLU 23 Ca 0.30 -0.23 0.06 0.00 0.34 0.00 0.00 59.36 59.84 1mwb h GLU 23 Cb 0.28 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 1mwb h GLU 23 CO -0.24 0.81 0.53 0.00 -1.16 0.00 0.00 179.01 178.96 1mwb h ARG 24 N 0.69 0.87 -0.17 2.33 2.47 -1.08 0.14 114.38 119.62 1mwb h ARG 24 Ca 0.12 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 1mwb h ARG 24 Cb 0.53 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1mwb h ARG 24 CO 0.03 0.57 0.03 0.28 0.56 0.00 0.00 179.97 181.45 1mwb h VAL 25 N 0.89 1.22 -0.51 2.04 2.07 -1.25 -1.30 116.25 119.40 1mwb h VAL 25 Ca 0.35 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 1mwb h VAL 25 Cb 0.22 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1mwb h VAL 25 CO -0.12 0.21 -0.10 -0.07 0.02 0.00 0.00 177.57 177.51 1mwb h LEU 26 N 0.08 0.98 -1.48 2.57 3.38 -1.36 -2.88 115.31 116.60 1mwb h LEU 26 Ca 0.05 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1mwb h LEU 26 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1mwb h LEU 26 CO 0.00 1.10 -0.10 1.56 0.09 0.00 0.00 178.44 181.09 1mwb h GLN 27 N 0.84 0.21 -6.28 1.13 4.20 -0.68 -3.40 115.11 111.13 1mwb h GLN 27 Ca 0.13 -0.04 -0.53 0.00 0.06 0.00 0.00 58.65 58.27 1mwb h GLN 27 Cb 0.66 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 1mwb h GLN 27 CO 0.05 0.33 1.15 0.34 -0.67 0.00 0.00 178.83 180.02 1mwb s ASP 28 N -6.90 5.92 0.43 1.46 2.15 -0.50 -4.85 116.67 114.39 1mwb s ASP 28 Ca -0.05 0.07 0.11 0.00 0.43 0.00 0.00 52.55 53.10 1mwb s ASP 28 Cb 0.16 -2.55 0.94 0.00 -0.30 0.00 0.00 42.92 41.17 1mwb s ASP 28 CO 0.72 -1.92 2.01 -0.78 -0.17 0.00 0.00 175.17 175.04 1mwb h ASP 29 N 11.71 0.21 -0.93 -0.34 3.58 -1.84 0.77 116.42 129.59 1mwb h ASP 29 Ca -0.27 -0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.27 1mwb h ASP 29 Cb 1.10 -0.05 -0.08 0.00 1.72 0.00 0.00 39.33 42.01 1mwb h ASP 29 CO 1.22 0.26 0.56 0.03 -2.88 0.00 0.00 179.24 178.43 1mwb h ARG 30 N 0.23 0.85 -0.01 0.28 2.47 -1.93 -2.73 114.38 113.53 1mwb h ARG 30 Ca 0.06 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1mwb h ARG 30 Cb 0.17 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1mwb h ARG 30 CO 0.00 0.56 -0.12 0.44 0.56 0.00 0.00 179.97 181.41 1mwb n ILE 31 N -4.70 0.00 -0.13 2.04 -5.35 -1.07 -4.56 119.36 105.60 1mwb n ILE 31 Ca 0.17 -0.44 0.07 0.00 -0.27 0.00 0.00 62.75 62.28 1mwb n ILE 31 Cb 0.35 1.18 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 1.68 0.65 -0.90 6.28 3.64 -0.52 -1.30 116.57 126.10 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 0.42 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 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 0.94 -0.74 1.91 2.07 -1.81 1.05 115.15 119.24 1mwb h HIS 33 Ca 0.27 0.03 -0.05 0.00 -2.85 0.00 0.00 60.37 57.77 1mwb h HIS 33 Cb 0.22 -0.30 -0.03 0.00 2.57 0.00 0.00 27.41 29.87 1mwb h HIS 33 CO -0.00 0.41 0.27 0.74 -3.07 0.00 0.00 177.93 176.27 1mwb h PHE 34 N 0.85 1.13 -0.54 6.12 0.04 -1.56 -2.59 116.94 120.39 1mwb h PHE 34 Ca 0.43 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 61.07 1mwb h PHE 34 Cb 0.49 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1mwb h PHE 34 CO -0.00 0.87 0.04 1.19 -0.60 0.00 0.00 178.31 179.82 1mwb n PHE 35 N -4.27 1.91 -0.34 -0.55 3.72 0.25 -4.60 117.46 113.56 1mwb n PHE 35 Ca 0.06 -0.85 0.10 0.00 -0.05 0.00 0.00 57.45 56.72 1mwb n PHE 35 Cb 0.20 -0.50 0.30 0.00 -0.94 0.00 0.00 39.48 38.53 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 3.29 1.65 -2.59 4.37 0.00 0.14 -3.32 119.26 122.80 1mwb h ALA 36 Ca 0.05 0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.41 1mwb h ALA 36 Cb 1.93 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 19.19 1mwb h ALA 36 CO 0.48 0.06 -0.86 -0.51 0.00 0.00 0.00 179.25 178.42 1mwb s ASP 37 N -5.60 2.80 -0.02 0.00 1.01 -1.26 -5.07 116.67 108.53 1mwb s ASP 37 Ca -0.11 -2.37 -0.02 0.00 0.71 0.00 0.00 52.55 50.76 1mwb s ASP 37 Cb 0.23 -0.47 0.01 0.00 1.01 0.00 0.00 42.92 43.71 1mwb s ASP 37 CO 0.80 -0.28 0.06 -0.69 0.21 0.00 0.00 175.17 175.27 1mwb s VAL 38 N 0.83 -0.01 0.62 -1.27 1.01 -1.25 -5.15 120.40 115.18 1mwb s VAL 38 Ca 0.20 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 1mwb s VAL 38 Cb -0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1mwb s VAL 38 CO -0.02 0.01 1.10 1.51 0.00 0.00 0.00 175.10 177.70 1mwb s ASP 39 N 0.16 5.39 0.40 3.32 1.47 -1.26 -4.93 116.67 121.23 1mwb s ASP 39 Ca -0.01 2.01 0.13 0.00 1.18 0.00 0.00 52.55 55.87 1mwb s ASP 39 Cb -0.02 -2.56 0.84 0.00 -0.34 0.00 0.00 42.92 40.85 1mwb s ASP 39 CO -0.00 -1.44 1.90 0.00 0.68 0.00 0.00 175.17 176.30 1mwb h MET 40 N 0.42 0.00 0.27 2.11 -0.00 -2.01 -3.01 114.93 112.71 1mwb h MET 40 Ca -0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.22 1mwb h MET 40 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.84 1mwb h MET 40 CO 0.55 0.29 -0.20 0.00 -0.00 0.00 0.00 176.91 177.55 1mwb h ALA 41 N 1.71 -0.46 -0.42 -3.00 0.00 -2.01 -2.30 119.26 112.78 1mwb h ALA 41 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1mwb h ALA 41 Cb 0.52 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1mwb h ALA 41 CO 0.04 -0.78 0.14 0.87 0.00 0.00 0.00 179.25 179.52 1mwb h LYS 42 N -0.48 0.61 -0.96 0.00 1.79 -1.94 -2.47 116.57 113.11 1mwb h LYS 42 Ca -0.02 -0.09 0.05 0.00 -2.18 0.00 0.00 60.65 58.41 1mwb h LYS 42 Cb 0.42 -0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 1mwb h LYS 42 CO -0.00 0.53 0.62 1.96 -1.08 0.00 0.00 179.45 181.48 1mwb h GLN 43 N 0.60 1.15 -0.88 3.15 1.08 -1.33 -1.52 115.11 117.36 1mwb h GLN 43 Ca 0.14 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.33 1mwb h GLN 43 Cb 0.17 -0.26 -0.06 0.00 -0.05 0.00 0.00 27.48 27.28 1mwb h GLN 43 CO -0.01 0.76 0.55 -0.09 -0.95 0.00 0.00 178.83 179.09 1mwb h ARG 44 N 1.18 0.98 -0.03 1.46 2.43 -0.93 0.32 114.38 119.80 1mwb h ARG 44 Ca 0.39 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1mwb h ARG 44 Cb 0.06 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1mwb h ARG 44 CO -0.14 0.65 -0.03 0.00 -1.51 0.00 0.00 179.97 178.94 1mwb h ALA 45 N 1.41 0.04 0.01 2.80 0.00 -1.37 -1.54 119.26 120.61 1mwb h ALA 45 Ca 0.38 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mwb h ALA 45 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1mwb h ALA 45 CO -0.17 -0.18 -0.00 1.25 0.00 0.00 0.00 179.25 180.15 1mwb h HIS 46 N -0.41 -0.01 -0.55 0.00 -0.00 -1.06 -1.18 115.15 111.94 1mwb h HIS 46 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1mwb h HIS 46 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.94 1mwb h HIS 46 CO 0.10 0.26 0.25 1.96 -0.00 0.00 0.00 177.93 180.51 1mwb h GLN 47 N -0.28 0.80 -0.75 5.26 1.08 -0.48 -1.87 115.11 118.87 1mwb h GLN 47 Ca -0.00 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.03 1mwb h GLN 47 Cb 0.28 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1mwb h GLN 47 CO 0.00 0.67 0.31 -0.22 -0.95 0.00 0.00 178.83 178.64 1mwb h LYS 48 N 0.74 1.12 -0.74 1.46 3.64 -1.27 -2.46 116.57 119.06 1mwb h LYS 48 Ca 0.19 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1mwb h LYS 48 Cb 0.14 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1mwb h LYS 48 CO -0.02 0.91 0.31 0.00 -2.27 0.00 0.00 179.45 178.38 1mwb h ALA 49 N 1.15 1.15 -0.15 5.00 0.00 -0.93 -1.17 119.26 124.32 1mwb h ALA 49 Ca 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mwb h ALA 49 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1mwb h ALA 49 CO -0.02 0.62 0.07 0.35 0.00 0.00 0.00 179.25 180.27 1mwb h PHE 50 N 1.06 0.21 -0.63 0.00 3.57 -0.98 -0.31 116.94 119.86 1mwb h PHE 50 Ca 0.25 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1mwb h PHE 50 Cb 0.18 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1mwb h PHE 50 CO 0.02 0.25 0.30 1.25 -2.23 0.00 0.00 178.31 177.89 1mwb h LEU 51 N 0.12 0.83 -0.76 0.59 6.46 -1.24 -1.78 115.31 119.53 1mwb h LEU 51 Ca 0.05 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1mwb h LEU 51 Cb 0.11 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.79 1mwb h LEU 51 CO -0.01 0.73 0.40 0.74 -0.62 0.00 0.00 178.44 179.68 1mwb h THR 52 N 0.87 1.24 -0.75 1.05 2.02 -1.02 -1.07 112.91 115.24 1mwb h THR 52 Ca 0.22 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1mwb h THR 52 Cb 0.12 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1mwb h THR 52 CO -0.03 0.27 0.31 0.22 0.37 0.00 0.00 175.52 176.67 1mwb h TYR 53 N 1.06 1.14 -0.12 3.16 3.20 -0.68 -0.42 116.97 124.31 1mwb h TYR 53 Ca 0.27 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1mwb h TYR 53 Cb 0.07 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 1mwb h TYR 53 CO 0.00 0.86 -0.09 0.00 -1.64 0.00 0.00 178.16 177.29 1mwb h ALA 54 N 1.16 0.17 0.00 1.82 0.00 -0.99 0.64 119.26 122.06 1mwb h ALA 54 Ca 0.25 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 54 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1mwb h ALA 54 CO -0.02 -0.01 -0.26 0.74 0.00 0.00 0.00 179.25 179.70 1mwb h PHE 55 N -0.12 0.00 -0.04 0.00 -1.00 -1.14 -3.40 116.94 111.25 1mwb h PHE 55 Ca 0.02 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 1mwb h PHE 55 Cb 0.59 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.01 1mwb h PHE 55 CO 0.08 0.26 -0.04 0.41 -1.61 0.00 0.00 178.31 177.41 1mwb n GLY 56 N -0.55 -1.85 3.95 -1.45 0.00 -0.17 -5.06 105.19 100.06 1mwb n GLY 56 Ca -0.02 1.17 -0.27 0.00 0.00 0.00 0.00 46.02 46.91 1mwb n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mwb s GLY 57 N 0.24 1.74 0.38 -0.02 0.00 0.22 -4.63 107.32 105.25 1mwb s GLY 57 Ca 0.25 -1.26 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 1mwb s GLY 57 CO -0.09 -0.68 0.71 -0.51 0.00 0.00 0.00 173.10 172.53 1mwb s THR 58 N -3.45 4.86 -0.15 0.90 -4.23 -1.26 -5.05 115.64 107.26 1mwb s THR 58 Ca 0.67 0.43 -0.13 0.00 -1.18 0.00 0.00 61.69 61.48 1mwb s THR 58 Cb -0.07 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 1mwb s THR 58 CO 0.48 -0.48 0.27 -1.81 -0.54 0.00 0.00 174.62 172.53 1mwb s ASP 59 N -3.22 6.43 -1.20 3.99 1.01 -1.26 -4.43 116.67 117.99 1mwb s ASP 59 Ca 0.49 0.50 -0.04 0.00 0.71 0.00 0.00 52.55 54.21 1mwb s ASP 59 Cb -0.10 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 1mwb s ASP 59 CO 0.32 0.15 0.85 0.29 0.21 0.00 0.00 175.17 176.99 1mwb n LYS 60 N 3.31 -4.43 -2.25 8.23 5.02 -1.26 -4.92 118.16 121.86 1mwb n LYS 60 Ca -0.13 0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 56.47 1mwb n LYS 60 Cb 0.52 -5.43 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 1mwb n LYS 60 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1mwb s TYR 61 N -3.49 3.30 0.15 2.13 6.14 -1.26 -5.03 117.35 119.29 1mwb s TYR 61 Ca 0.16 1.20 0.06 0.00 0.64 0.00 0.00 57.07 59.13 1mwb s TYR 61 Cb -0.03 -3.58 -0.04 0.00 0.42 0.00 0.00 41.96 38.73 1mwb s TYR 61 CO 0.78 -1.83 0.06 0.16 0.64 0.00 0.00 175.55 175.36 1mwb s ASP 62 N 0.55 5.14 0.00 4.32 1.47 -1.26 -5.06 116.67 121.83 1mwb s ASP 62 Ca 0.58 -0.23 0.00 0.00 1.18 0.00 0.00 52.55 54.08 1mwb s ASP 62 Cb -0.35 -1.24 0.00 0.00 -0.34 0.00 0.00 42.92 40.99 1mwb s ASP 62 CO 0.35 0.10 0.00 0.61 0.68 0.00 0.00 175.17 176.91 1mwb n GLY 63 N -0.06 0.78 0.36 2.12 0.00 -1.26 -5.00 105.19 102.13 1mwb n GLY 63 Ca -0.09 0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 0.42 -0.87 1.61 2.43 -2.00 -1.27 114.38 114.70 1mwb h ARG 64 Ca 0.00 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.28 1mwb h ARG 64 Cb 0.00 -0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 29.37 1mwb h ARG 64 CO 0.00 0.28 0.48 -0.92 -1.51 0.00 0.00 179.97 178.30 1mwb h TYR 65 N 0.43 0.86 -0.52 2.20 3.20 -1.99 0.14 116.97 121.28 1mwb h TYR 65 Ca 0.30 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 1mwb h TYR 65 Cb 0.59 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1mwb h TYR 65 CO -0.00 0.26 0.23 0.52 -1.64 0.00 0.00 178.16 177.54 1mwb h MET 66 N 0.72 0.76 -0.52 1.82 0.00 -1.62 -2.78 114.93 113.31 1mwb h MET 66 Ca 0.46 -0.12 -0.06 0.00 0.00 0.00 0.00 59.70 59.98 1mwb h MET 66 Cb 0.57 -0.13 -0.02 0.00 0.00 0.00 0.00 31.60 32.02 1mwb h MET 66 CO -0.32 0.65 0.11 -0.09 0.00 0.00 0.00 176.91 177.26 1mwb h ARG 67 N 0.69 0.85 -1.00 1.72 2.43 -1.20 -2.41 114.38 115.46 1mwb h ARG 67 Ca 0.18 -0.21 0.13 0.00 -0.81 0.00 0.00 59.98 59.26 1mwb h ARG 67 Cb 0.15 -0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 29.51 1mwb h ARG 67 CO -0.02 0.82 0.63 1.49 -1.51 0.00 0.00 179.97 181.38 1mwb h GLU 68 N 0.74 0.94 0.16 0.20 4.81 -0.55 0.51 114.58 121.39 1mwb h GLU 68 Ca 0.16 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1mwb h GLU 68 Cb 0.36 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1mwb h GLU 68 CO 0.01 0.62 -0.08 0.00 -0.73 0.00 0.00 179.01 178.83 1mwb h ALA 69 N 1.55 -0.34 -0.85 2.92 0.00 -1.32 -2.92 119.26 118.30 1mwb h ALA 69 Ca 0.51 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.42 1mwb h ALA 69 Cb 0.54 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1mwb h ALA 69 CO -0.28 -0.32 0.53 0.45 0.00 0.00 0.00 179.25 179.63 1mwb h HIS 70 N -0.62 0.99 -0.32 0.00 3.86 -1.40 -1.54 115.15 116.13 1mwb h HIS 70 Ca -0.02 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1mwb h HIS 70 Cb 0.17 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1mwb h HIS 70 CO 0.03 0.53 0.09 1.57 0.86 0.00 0.00 177.93 181.01 1mwb h LYS 71 N 1.00 0.46 -0.68 2.45 5.09 -0.11 -1.46 116.57 123.32 1mwb h LYS 71 Ca 0.36 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 61.04 1mwb h LYS 71 Cb 0.11 -0.08 -0.03 0.00 0.10 0.00 0.00 32.23 32.32 1mwb h LYS 71 CO -0.15 0.42 0.44 1.49 -2.09 0.00 0.00 179.45 179.55 1mwb h GLU 72 N 0.45 0.89 -0.53 0.07 4.81 -1.08 -1.26 114.58 117.95 1mwb h GLU 72 Ca 0.11 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1mwb h GLU 72 Cb 0.16 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1mwb h GLU 72 CO -0.01 0.60 0.15 -0.07 -0.73 0.00 0.00 179.01 178.96 1mwb h LEU 73 N 0.92 0.73 -0.53 1.64 3.38 -1.10 -1.16 115.31 119.20 1mwb h LEU 73 Ca 0.25 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1mwb h LEU 73 Cb -0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1mwb h LEU 73 CO -0.05 0.71 0.18 0.58 0.09 0.00 0.00 178.44 179.94 1mwb h VAL 74 N 0.77 1.23 -0.10 1.22 2.07 -1.08 0.57 116.25 120.93 1mwb h VAL 74 Ca 0.18 -0.75 -0.23 0.00 0.82 0.00 0.00 66.70 66.72 1mwb h VAL 74 Cb 0.25 0.73 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1mwb h VAL 74 CO -0.01 0.28 -0.84 -0.33 0.02 0.00 0.00 177.57 176.69 1mwb h GLU 75 N 0.72 0.71 0.06 1.57 5.08 -1.21 -1.70 114.58 119.82 1mwb h GLU 75 Ca 0.17 -0.62 -0.26 0.00 -1.00 0.00 0.00 59.36 57.65 1mwb h GLU 75 Cb 0.25 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1mwb h GLU 75 CO -0.01 1.23 -1.39 -0.91 -1.00 0.00 0.00 179.01 176.93 1mwb h ASN 76 N 0.46 0.20 0.17 1.42 2.35 -1.18 -3.40 115.58 115.61 1mwb h ASN 76 Ca -0.07 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 1mwb h ASN 76 Cb 1.47 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1mwb h ASN 76 CO 0.17 1.58 -1.01 1.41 -1.65 0.00 0.00 177.43 177.92 1mwb n HIS 77 N -4.09 0.05 -2.62 1.19 8.25 0.19 -4.98 115.22 113.21 1mwb n HIS 77 Ca -0.29 0.02 -0.05 0.00 -0.26 0.00 0.00 57.72 57.13 1mwb n HIS 77 Cb 0.81 -0.18 0.01 0.00 1.12 0.00 0.00 29.99 31.76 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 1.45 0.53 3.71 -1.41 0.00 -0.64 -4.97 105.19 103.87 1mwb n GLY 78 Ca 0.03 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.21 4.37 0.00 0.99 2.96 -1.18 -4.95 118.68 118.67 1mwb s LEU 79 Ca 0.11 2.41 0.04 0.00 -0.22 0.00 0.00 54.13 56.47 1mwb s LEU 79 Cb -0.05 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 1mwb s LEU 79 CO 0.13 -0.73 0.16 -0.46 -1.32 0.00 0.00 176.35 174.13 1mwb n ASN 80 N 4.16 1.18 0.04 3.68 6.94 -1.26 -4.56 115.26 125.44 1mwb n ASN 80 Ca 0.13 -3.25 0.14 0.00 -0.02 0.00 0.00 54.58 51.57 1mwb n ASN 80 Cb 0.41 1.09 0.61 0.00 -2.36 0.00 0.00 39.78 39.52 1mwb n ASN 80 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1mwb h GLY 81 N 1.70 0.21 0.97 4.83 0.00 -1.97 -1.35 103.07 107.46 1mwb h GLY 81 Ca -0.33 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 46.97 1mwb h GLY 81 CO 0.52 0.04 0.62 0.83 0.00 0.00 0.00 176.54 178.55 1mwb h GLU 82 N 0.16 1.17 -0.09 4.80 4.39 -1.98 0.21 114.58 123.23 1mwb h GLU 82 Ca 0.19 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1mwb h GLU 82 Cb 0.57 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1mwb h GLU 82 CO -0.03 0.78 0.02 0.45 -1.16 0.00 0.00 179.01 179.07 1mwb h HIS 83 N 1.21 0.16 -0.45 4.33 3.86 -1.65 -1.74 115.15 120.88 1mwb h HIS 83 Ca 0.37 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 1mwb h HIS 83 Cb -0.02 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 1mwb h HIS 83 CO -0.00 0.35 0.23 0.35 0.86 0.00 0.00 177.93 179.72 1mwb h PHE 84 N -0.07 0.63 -0.94 2.45 3.57 -1.38 -2.66 116.94 118.55 1mwb h PHE 84 Ca 0.03 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1mwb h PHE 84 Cb 0.27 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1mwb h PHE 84 CO 0.01 0.49 0.62 -0.44 -2.23 0.00 0.00 178.31 176.76 1mwb h ASP 85 N 0.59 1.03 -0.71 0.41 3.32 -0.53 -1.73 116.42 118.81 1mwb h ASP 85 Ca 0.16 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1mwb h ASP 85 Cb 0.08 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1mwb h ASP 85 CO -0.02 0.72 0.38 0.00 -1.72 0.00 0.00 179.24 178.59 1mwb h ALA 86 N 1.44 0.91 -0.56 3.45 0.00 -0.98 -1.59 119.26 121.94 1mwb h ALA 86 Ca 0.37 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1mwb h ALA 86 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1mwb h ALA 86 CO -0.10 0.44 -0.03 0.28 0.00 0.00 0.00 179.25 179.83 1mwb h VAL 87 N 0.98 1.27 -0.51 0.00 2.07 -1.14 -2.76 116.25 116.16 1mwb h VAL 87 Ca 0.25 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1mwb h VAL 87 Cb 0.06 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1mwb h VAL 87 CO -0.04 0.42 0.20 0.00 0.02 0.00 0.00 177.57 178.17 1mwb h ALA 88 N 0.95 0.67 -0.53 1.67 0.00 -1.02 -2.63 119.26 118.37 1mwb h ALA 88 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 88 Cb 0.59 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1mwb h ALA 88 CO 0.04 0.28 0.28 0.93 0.00 0.00 0.00 179.25 180.78 1mwb h GLU 89 N 0.69 0.72 -0.97 0.00 5.08 -1.22 -1.92 114.58 116.96 1mwb h GLU 89 Ca 0.17 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1mwb h GLU 89 Cb 0.20 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1mwb h GLU 89 CO -0.01 0.54 0.64 -0.44 -1.00 0.00 0.00 179.01 178.74 1mwb h ASP 90 N 0.73 1.09 -0.70 1.42 3.32 -1.17 -1.98 116.42 119.13 1mwb h ASP 90 Ca 0.19 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1mwb h ASP 90 Cb 0.03 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1mwb h ASP 90 CO -0.03 0.77 0.26 0.25 -1.72 0.00 0.00 179.24 178.78 1mwb h LEU 91 N 1.28 0.98 -1.13 1.55 5.85 -1.20 -2.61 115.31 120.03 1mwb h LEU 91 Ca 0.37 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1mwb h LEU 91 Cb -0.09 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 1mwb h LEU 91 CO -0.10 0.90 0.28 -0.07 -0.34 0.00 0.00 178.44 179.10 1mwb h LEU 92 N 1.01 0.80 -0.99 2.25 3.38 -1.11 -2.42 115.31 118.23 1mwb h LEU 92 Ca 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1mwb h LEU 92 Cb 0.23 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1mwb h LEU 92 CO -0.02 0.70 0.51 0.00 0.09 0.00 0.00 178.44 179.72 1mwb h ALA 93 N 1.42 1.23 -0.69 1.53 0.00 -1.01 -2.32 119.26 119.43 1mwb h ALA 93 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1mwb h ALA 93 Cb 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1mwb h ALA 93 CO -0.02 0.64 0.37 1.15 0.00 0.00 0.00 179.25 181.39 1mwb h THR 94 N 1.22 1.21 -0.69 0.00 2.02 -1.25 -2.55 112.91 112.88 1mwb h THR 94 Ca 0.31 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1mwb h THR 94 Cb -0.01 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1mwb h THR 94 CO -0.05 0.24 0.23 -0.07 0.37 0.00 0.00 175.52 176.23 1mwb h LEU 95 N 0.94 0.97 -0.75 2.58 3.38 -1.28 -2.45 115.31 118.71 1mwb h LEU 95 Ca 0.24 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1mwb h LEU 95 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1mwb h LEU 95 CO -0.04 0.90 0.39 0.11 0.09 0.00 0.00 178.44 179.89 1mwb h LYS 96 N 1.01 1.05 -0.66 1.13 1.57 -1.07 -2.35 116.57 117.25 1mwb h LYS 96 Ca 0.22 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1mwb h LYS 96 Cb 0.27 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1mwb h LYS 96 CO -0.01 0.79 0.18 1.49 -0.57 0.00 0.00 179.45 181.33 1mwb h GLU 97 N 1.04 1.04 -0.16 3.15 4.81 -1.18 -2.23 114.58 121.05 1mwb h GLU 97 Ca 0.26 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1mwb h GLU 97 Cb 0.06 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1mwb h GLU 97 CO -0.04 0.90 -0.01 0.52 -0.73 0.00 0.00 179.01 179.65 1mwb h MET 98 N 0.99 0.22 0.00 1.92 2.86 -0.99 -3.46 114.93 116.47 1mwb h MET 98 Ca 0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1mwb h MET 98 Cb 0.32 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1mwb h MET 98 CO -0.00 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.63 1mwb n GLY 99 N -1.20 0.92 3.76 8.32 0.00 -0.84 -5.06 105.19 111.09 1mwb n GLY 99 Ca -0.01 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 2.15 0.35 1.61 1.01 -1.14 -4.89 120.40 117.49 1mwb s VAL 100 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 1mwb s VAL 100 Cb 0.00 -3.08 -0.13 0.00 0.00 0.00 0.00 36.38 33.17 1mwb s VAL 100 CO 0.00 0.02 0.83 -0.81 0.00 0.00 0.00 175.10 175.14 1mwb n PRO 101 N 1.74 1.00 0.08 2.72 -0.04 -1.26 -4.82 135.00 134.42 1mwb n PRO 101 Ca 0.06 0.36 0.04 0.00 -0.04 0.00 0.00 63.50 63.91 1mwb n PRO 101 Cb 0.38 -1.71 0.43 0.00 -0.04 0.00 0.00 33.50 32.56 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 1.45 0.36 -0.82 0.54 5.08 -1.98 -2.53 114.58 116.67 1mwb h GLU 102 Ca -0.40 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.01 1mwb h GLU 102 Cb 1.37 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1mwb h GLU 102 CO 0.57 0.33 0.47 0.22 -1.00 0.00 0.00 179.01 179.60 1mwb h ASP 103 N 0.36 0.68 -0.18 1.42 3.58 -2.02 -1.36 116.42 118.90 1mwb h ASP 103 Ca 0.09 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.46 1mwb h ASP 103 Cb 0.14 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1mwb h ASP 103 CO -0.00 0.39 -0.33 -0.07 -2.88 0.00 0.00 179.24 176.35 1mwb h LEU 104 N 0.79 0.71 -0.87 2.28 3.38 -1.81 -2.99 115.31 116.81 1mwb h LEU 104 Ca 0.40 -0.29 0.14 0.00 0.09 0.00 0.00 57.88 58.21 1mwb h LEU 104 Cb 0.36 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1mwb h LEU 104 CO -0.24 0.98 0.48 0.40 0.09 0.00 0.00 178.44 180.15 1mwb h ILE 105 N 0.58 0.79 -0.46 1.22 2.04 -1.15 0.68 117.51 121.20 1mwb h ILE 105 Ca 0.06 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1mwb h ILE 105 Cb 0.84 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1mwb h ILE 105 CO 0.07 0.13 0.04 0.00 0.00 0.00 0.00 178.15 178.39 1mwb h ALA 106 N 1.54 0.61 -0.50 1.87 0.00 -1.36 -1.61 119.26 119.82 1mwb h ALA 106 Ca 0.46 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1mwb h ALA 106 Cb 0.59 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1mwb h ALA 106 CO -0.33 0.38 -0.15 0.93 0.00 0.00 0.00 179.25 180.08 1mwb h GLU 107 N 0.64 0.98 -0.78 0.00 5.08 -0.96 -2.31 114.58 117.22 1mwb h GLU 107 Ca 0.13 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1mwb h GLU 107 Cb 0.45 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1mwb h GLU 107 CO 0.02 1.05 0.32 0.28 -1.00 0.00 0.00 179.01 179.68 1mwb h VAL 108 N 0.86 1.26 -0.21 3.13 2.07 0.42 -2.18 116.25 121.59 1mwb h VAL 108 Ca 0.13 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 1mwb h VAL 108 Cb 0.71 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1mwb h VAL 108 CO 0.05 0.33 -0.16 0.00 0.02 0.00 0.00 177.57 177.81 1mwb h ALA 109 N 1.17 1.34 -0.03 1.67 0.00 -1.13 -2.45 119.26 119.82 1mwb h ALA 109 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1mwb h ALA 109 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1mwb h ALA 109 CO -0.02 0.45 -0.18 0.00 0.00 0.00 0.00 179.25 179.49 1mwb h ALA 110 N 1.51 1.63 -0.46 0.00 0.00 -0.83 1.92 119.26 123.04 1mwb h ALA 110 Ca 0.06 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1mwb h ALA 110 Cb 0.48 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1mwb h ALA 110 CO 0.03 0.27 0.18 0.28 0.00 0.00 0.00 179.25 180.01 1mwb h VAL 111 N 0.05 0.88 0.00 0.00 2.07 -1.20 -2.92 116.25 115.12 1mwb h VAL 111 Ca 0.01 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1mwb h VAL 111 Cb 0.36 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1mwb h VAL 111 CO 0.03 0.07 -1.29 0.00 0.02 0.00 0.00 177.57 176.39 1mwb n ALA 112 N -2.38 3.64 0.25 1.67 0.00 -1.07 -4.34 120.51 118.28 1mwb n ALA 112 Ca 0.04 -0.48 0.15 0.00 0.00 0.00 0.00 53.44 53.14 1mwb n ALA 112 Cb 0.16 -0.65 0.78 0.00 0.00 0.00 0.00 19.45 19.75 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 3.90 0.00 -7.02 0.00 0.00 0.32 -3.43 103.07 96.85 1mwb h GLY 113 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1mwb h GLY 113 CO 0.00 0.00 1.43 0.00 0.00 0.00 0.00 176.54 177.97 1mwb n ALA 114 N -1.85 0.87 0.30 3.60 0.00 -1.22 -4.78 120.51 117.43 1mwb n ALA 114 Ca -0.02 -0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.53 1mwb n ALA 114 Cb 0.17 -2.48 0.98 0.00 0.00 0.00 0.00 19.45 18.12 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 12.08 0.00 -0.26 0.00 0.11 -1.96 -2.68 132.00 139.30 1mwb h PRO 115 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1mwb h PRO 115 Cb 1.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1mwb h PRO 115 CO 1.06 0.03 0.17 0.00 -0.21 0.00 0.00 178.00 179.05 1mwb h ALA 116 N 1.97 0.33 -0.62 -0.75 0.00 -1.94 -1.23 119.26 117.02 1mwb h ALA 116 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1mwb h ALA 116 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1mwb h ALA 116 CO 0.00 -0.20 0.27 0.45 0.00 0.00 0.00 179.25 179.77 1mwb h HIS 117 N 0.35 0.92 -0.38 0.00 3.86 -1.83 -2.38 115.15 115.69 1mwb h HIS 117 Ca 0.09 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1mwb h HIS 117 Cb -0.04 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 1mwb h HIS 117 CO -0.06 0.72 0.25 0.87 0.86 0.00 0.00 177.93 180.57 1mwb h LYS 118 N 0.85 0.44 -0.76 2.45 1.57 -1.45 -2.07 116.57 117.60 1mwb h LYS 118 Ca 0.21 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.07 1mwb h LYS 118 Cb 0.17 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 1mwb h LYS 118 CO -0.02 0.29 0.39 -0.09 -0.57 0.00 0.00 179.45 179.45 1mwb h ARG 119 N 0.45 0.61 -0.61 3.15 2.43 -0.68 0.46 114.38 120.19 1mwb h ARG 119 Ca 0.15 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1mwb h ARG 119 Cb 0.04 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1mwb h ARG 119 CO -0.03 0.41 0.21 -0.44 -1.51 0.00 0.00 179.97 178.60 1mwb h ASP 120 N 0.63 0.83 0.40 -3.80 3.32 -1.43 1.46 116.42 117.84 1mwb h ASP 120 Ca 0.39 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1mwb h ASP 120 Cb 0.44 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1mwb h ASP 120 CO -0.29 0.77 -0.19 0.58 -1.72 0.00 0.00 179.24 178.39 1mwb h VAL 121 N 0.88 0.00 -0.23 -1.35 2.07 -0.88 -3.36 116.25 113.39 1mwb h VAL 121 Ca 0.20 -0.58 -0.17 0.00 0.82 0.00 0.00 66.70 66.97 1mwb h VAL 121 Cb 0.22 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1mwb h VAL 121 CO -0.01 0.00 -0.55 -0.07 0.02 0.00 0.00 177.57 176.95 1mwb h LEU 122 N -1.12 0.79 -1.36 2.57 3.38 -0.22 -3.36 115.31 115.98 1mwb h LEU 122 Ca -0.06 -0.42 -0.42 0.00 0.09 0.00 0.00 57.88 57.07 1mwb h LEU 122 Cb 0.41 -0.23 0.05 0.00 0.09 0.00 0.00 40.66 40.99 1mwb h LEU 122 CO 0.09 1.18 -0.78 0.59 0.09 0.00 0.00 178.44 179.61 1mwb n ASN 123 N -3.98 -3.26 0.00 -0.43 3.02 0.50 -4.91 115.26 106.20 1mwb n ASN 123 Ca -0.04 -0.74 0.01 0.00 -0.03 0.00 0.00 54.58 53.78 1mwb n ASN 123 Cb 0.62 -4.27 0.07 0.00 -0.61 0.00 0.00 39.78 35.60 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64