#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 1.25 -0.84 0.44 1.03 -2.05 -2.82 112.91 109.91 1mwb h THR 3 Ca 0.00 -1.21 0.09 0.00 -0.01 0.00 0.00 66.41 65.29 1mwb h THR 3 Cb 0.00 1.60 -0.06 0.00 -1.07 0.00 0.00 68.15 68.62 1mwb h THR 3 CO 0.00 0.35 0.55 -0.07 -0.01 0.00 0.00 175.52 176.34 1mwb h LEU 4 N 0.07 0.74 -1.54 0.00 3.38 -2.04 0.39 115.31 116.30 1mwb h LEU 4 Ca 0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1mwb h LEU 4 Cb 0.62 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1mwb h LEU 4 CO 0.05 0.44 -0.23 1.88 0.09 0.00 0.00 178.44 180.66 1mwb h TYR 5 N 0.82 0.00 -0.72 1.13 0.05 -1.89 -2.45 116.97 113.91 1mwb h TYR 5 Ca 0.39 0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.26 1mwb h TYR 5 Cb 0.40 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.10 1mwb h TYR 5 CO -0.00 0.23 0.47 1.49 -1.05 0.00 0.00 178.16 179.31 1mwb h GLU 6 N 0.00 0.58 -0.82 4.88 4.57 -1.00 -0.24 114.58 122.54 1mwb h GLU 6 Ca -0.00 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1mwb h GLU 6 Cb 0.42 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.83 1mwb h GLU 6 CO 0.03 0.38 0.54 0.87 -1.18 0.00 0.00 179.01 179.65 1mwb h LYS 7 N 0.60 0.99 -0.34 1.92 1.57 -1.48 -0.94 116.57 118.88 1mwb h LYS 7 Ca 0.33 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1mwb h LYS 7 Cb 0.50 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1mwb h LYS 7 CO -0.12 0.65 0.07 -0.07 -0.57 0.00 0.00 179.45 179.41 1mwb h LEU 8 N 1.02 0.46 0.00 2.94 3.38 -1.16 -3.45 115.31 118.49 1mwb h LEU 8 Ca 0.33 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1mwb h LEU 8 Cb 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1mwb h LEU 8 CO -0.10 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1mwb n GLY 9 N -1.05 0.66 0.00 0.83 0.00 -0.37 -4.95 105.19 100.31 1mwb n GLY 9 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -0.22 0.22 -0.02 0.00 -1.17 -4.08 105.19 99.92 1mwb n GLY 10 Ca 0.00 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.33 1mwb n GLY 10 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1mwb h THR 11 N 0.00 0.69 -0.73 2.61 1.35 -1.94 -3.02 112.91 111.86 1mwb h THR 11 Ca 0.00 -1.16 -0.01 0.00 -0.55 0.00 0.00 66.41 64.69 1mwb h THR 11 Cb 0.00 1.75 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 1mwb h THR 11 CO 0.00 0.26 0.43 0.00 -0.25 0.00 0.00 175.52 175.96 1mwb h THR 12 N 0.00 1.21 -0.37 6.82 1.03 -1.97 -2.20 112.91 117.43 1mwb h THR 12 Ca -0.00 -0.48 -0.04 0.00 -0.01 0.00 0.00 66.41 65.87 1mwb h THR 12 Cb 0.72 0.21 -0.02 0.00 -1.07 0.00 0.00 68.15 68.00 1mwb h THR 12 CO 0.03 0.22 0.06 0.00 -0.01 0.00 0.00 175.52 175.82 1mwb h ALA 13 N 1.22 1.41 -0.81 0.00 0.00 -1.67 -2.51 119.26 116.89 1mwb h ALA 13 Ca 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1mwb h ALA 13 Cb -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1mwb h ALA 13 CO -0.05 0.42 0.50 0.28 0.00 0.00 0.00 179.25 180.41 1mwb h VAL 14 N 0.54 1.22 -0.80 0.00 2.07 -1.45 -1.96 116.25 115.87 1mwb h VAL 14 Ca 0.12 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1mwb h VAL 14 Cb 0.26 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 1mwb h VAL 14 CO 0.00 0.23 0.52 0.44 0.02 0.00 0.00 177.57 178.78 1mwb h ASP 15 N 1.11 0.87 -0.89 0.57 3.32 -1.24 -1.58 116.42 118.58 1mwb h ASP 15 Ca 0.29 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.35 1mwb h ASP 15 Cb -0.07 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 1mwb h ASP 15 CO -0.06 0.61 0.59 -0.07 -1.72 0.00 0.00 179.24 178.58 1mwb h LEU 16 N 1.01 0.98 -0.37 1.55 3.38 -1.26 -0.91 115.31 119.68 1mwb h LEU 16 Ca 0.31 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 1mwb h LEU 16 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1mwb h LEU 16 CO -0.08 0.69 0.04 0.00 0.09 0.00 0.00 178.44 179.17 1mwb h ALA 17 N 1.47 0.50 -0.46 1.53 0.00 -1.13 -1.97 119.26 119.21 1mwb h ALA 17 Ca 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1mwb h ALA 17 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1mwb h ALA 17 CO -0.09 0.23 0.11 0.28 0.00 0.00 0.00 179.25 179.78 1mwb h VAL 18 N 0.47 1.23 0.01 0.00 2.07 -1.11 0.25 116.25 119.17 1mwb h VAL 18 Ca 0.11 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1mwb h VAL 18 Cb 0.40 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1mwb h VAL 18 CO 0.01 0.29 -0.01 -0.78 0.02 0.00 0.00 177.57 177.11 1mwb h ASP 19 N 0.61 -0.01 -0.32 0.57 3.58 -1.12 0.95 116.42 120.68 1mwb h ASP 19 Ca 0.14 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 1mwb h ASP 19 Cb 0.32 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1mwb h ASP 19 CO 0.00 0.01 -0.01 0.50 -2.88 0.00 0.00 179.24 176.86 1mwb h LYS 20 N -0.04 0.57 -0.72 0.28 3.64 -1.29 -2.71 116.57 116.30 1mwb h LYS 20 Ca -0.00 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1mwb h LYS 20 Cb 0.03 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1mwb h LYS 20 CO 0.00 0.71 0.43 0.35 -2.27 0.00 0.00 179.45 178.67 1mwb h PHE 21 N 0.36 0.79 -0.58 1.91 3.57 -0.34 -1.77 116.94 120.89 1mwb h PHE 21 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1mwb h PHE 21 Cb 0.46 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1mwb h PHE 21 CO 0.04 0.41 0.31 -0.92 -2.23 0.00 0.00 178.31 175.92 1mwb h TYR 22 N 0.80 0.81 -0.70 0.41 3.20 -0.71 -2.63 116.97 118.15 1mwb h TYR 22 Ca 0.31 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 1mwb h TYR 22 Cb 0.13 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1mwb h TYR 22 CO -0.06 0.59 0.18 0.93 -1.64 0.00 0.00 178.16 178.16 1mwb h GLU 23 N 0.78 1.11 -0.50 1.82 5.08 -1.11 -2.75 114.58 119.01 1mwb h GLU 23 Ca 0.20 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1mwb h GLU 23 Cb 0.06 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1mwb h GLU 23 CO -0.03 0.98 0.24 0.00 -1.00 0.00 0.00 179.01 179.20 1mwb h ARG 24 N 1.04 0.69 -0.48 2.33 3.08 -1.12 -1.88 114.38 118.03 1mwb h ARG 24 Ca 0.22 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1mwb h ARG 24 Cb 0.36 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1mwb h ARG 24 CO 0.00 0.53 0.28 0.28 -1.07 0.00 0.00 179.97 180.00 1mwb h VAL 25 N 0.69 1.15 -0.53 2.04 2.07 -1.17 -1.86 116.25 118.65 1mwb h VAL 25 Ca 0.18 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1mwb h VAL 25 Cb 0.07 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1mwb h VAL 25 CO -0.02 0.16 -0.04 -0.07 0.02 0.00 0.00 177.57 177.61 1mwb h LEU 26 N 0.64 0.91 -1.52 2.57 3.38 -1.37 -2.81 115.31 117.11 1mwb h LEU 26 Ca 0.17 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1mwb h LEU 26 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1mwb h LEU 26 CO -0.03 0.99 -0.03 1.56 0.09 0.00 0.00 178.44 181.03 1mwb h GLN 27 N 0.84 0.28 -6.28 1.13 4.20 -0.97 -3.40 115.11 110.92 1mwb h GLN 27 Ca 0.15 -0.05 -0.53 0.00 0.06 0.00 0.00 58.65 58.28 1mwb h GLN 27 Cb 0.56 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 1mwb h GLN 27 CO 0.03 0.33 1.15 0.34 -0.67 0.00 0.00 178.83 180.01 1mwb s ASP 28 N -6.86 5.93 0.28 1.46 2.15 -0.74 -4.85 116.67 114.03 1mwb s ASP 28 Ca -0.06 0.07 -0.03 0.00 0.43 0.00 0.00 52.55 52.95 1mwb s ASP 28 Cb 0.16 -2.55 0.37 0.00 -0.30 0.00 0.00 42.92 40.60 1mwb s ASP 28 CO 0.72 -1.92 1.94 0.44 -0.17 0.00 0.00 175.17 176.18 1mwb h ASP 29 N 11.70 1.01 -1.00 -0.34 3.32 -1.84 0.11 116.42 129.36 1mwb h ASP 29 Ca -0.27 -0.04 0.20 0.00 0.02 0.00 0.00 57.03 56.94 1mwb h ASP 29 Cb 1.10 -0.25 -0.11 0.00 0.22 0.00 0.00 39.33 40.28 1mwb h ASP 29 CO 1.22 0.76 0.61 0.03 -1.72 0.00 0.00 179.24 180.13 1mwb h ARG 30 N 1.17 0.70 -0.01 3.56 2.47 -1.95 -2.22 114.38 118.11 1mwb h ARG 30 Ca 0.31 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1mwb h ARG 30 Cb -0.08 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.08 1mwb h ARG 30 CO -0.06 0.46 -0.03 0.44 0.56 0.00 0.00 179.97 181.34 1mwb n ILE 31 N -4.80 0.00 -0.10 2.04 -5.35 -1.07 -4.60 119.36 105.49 1mwb n ILE 31 Ca 0.24 -0.48 0.11 0.00 -0.27 0.00 0.00 62.75 62.35 1mwb n ILE 31 Cb 0.61 1.19 0.47 0.00 -1.74 0.00 0.00 39.64 40.17 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 1.75 0.46 -0.77 6.28 3.64 -0.13 -0.97 116.57 126.83 1mwb h LYS 32 Ca 0.00 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1mwb h LYS 32 Cb 0.39 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 1mwb h LYS 32 CO 0.00 0.30 0.51 1.12 -2.27 0.00 0.00 179.45 179.11 1mwb h HIS 33 N 0.47 0.72 -0.71 1.91 2.07 -1.81 0.44 115.15 118.23 1mwb h HIS 33 Ca 0.28 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.79 1mwb h HIS 33 Cb 0.49 -0.23 -0.03 0.00 2.57 0.00 0.00 27.41 30.20 1mwb h HIS 33 CO -0.00 0.33 0.32 0.74 -3.07 0.00 0.00 177.93 176.24 1mwb h PHE 34 N 0.67 1.03 -0.59 6.12 0.04 -1.51 -2.29 116.94 120.41 1mwb h PHE 34 Ca 0.36 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1mwb h PHE 34 Cb 0.50 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1mwb h PHE 34 CO -0.00 0.76 0.00 1.19 -0.60 0.00 0.00 178.31 179.66 1mwb n PHE 35 N -4.32 0.78 -0.24 -0.55 3.72 0.08 -4.40 117.46 112.53 1mwb n PHE 35 Ca 0.07 -0.39 0.05 0.00 -0.05 0.00 0.00 57.45 57.13 1mwb n PHE 35 Cb 0.15 0.00 0.29 0.00 -0.94 0.00 0.00 39.48 38.99 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 4.25 1.60 -2.60 4.37 0.00 0.37 -3.34 119.26 123.91 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 0.88 -0.23 -0.39 0.00 0.00 0.00 0.00 17.79 18.04 1mwb h ALA 36 CO 0.00 0.28 -0.85 -0.51 0.00 0.00 0.00 179.25 178.16 1mwb s ASP 37 N -6.11 2.81 -0.05 0.00 1.01 -1.26 -5.09 116.67 107.97 1mwb s ASP 37 Ca -0.11 -2.40 -0.05 0.00 0.71 0.00 0.00 52.55 50.71 1mwb s ASP 37 Cb 0.20 -0.49 0.02 0.00 1.01 0.00 0.00 42.92 43.66 1mwb s ASP 37 CO 0.79 -0.28 0.14 -0.69 0.21 0.00 0.00 175.17 175.34 1mwb s VAL 38 N 0.80 -0.00 0.18 -1.27 1.01 -1.26 -5.11 120.40 114.75 1mwb s VAL 38 Ca 0.20 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1mwb s VAL 38 Cb -0.19 -0.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.90 1mwb s VAL 38 CO -0.03 0.01 1.37 1.51 0.00 0.00 0.00 175.10 177.96 1mwb s ASP 39 N 0.18 6.82 0.46 3.32 1.47 -1.26 -4.90 116.67 122.75 1mwb s ASP 39 Ca -0.01 2.43 0.12 0.00 1.18 0.00 0.00 52.55 56.28 1mwb s ASP 39 Cb -0.02 -2.60 1.05 0.00 -0.34 0.00 0.00 42.92 41.01 1mwb s ASP 39 CO -0.00 -0.61 2.06 0.24 0.68 0.00 0.00 175.17 177.54 1mwb h MET 40 N 5.80 0.31 -0.14 2.11 2.86 -2.00 -2.76 114.93 121.12 1mwb h MET 40 Ca -0.44 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.22 1mwb h MET 40 Cb 1.21 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 1mwb h MET 40 CO 0.81 0.21 -0.16 0.00 1.06 0.00 0.00 176.91 178.82 1mwb h ALA 41 N 1.81 -0.08 -0.52 6.32 0.00 -2.01 -1.44 119.26 123.33 1mwb h ALA 41 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1mwb h ALA 41 Cb 0.16 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1mwb h ALA 41 CO -0.03 -0.61 0.12 0.87 0.00 0.00 0.00 179.25 179.60 1mwb h LYS 42 N -0.20 0.80 -0.95 0.00 1.79 -1.89 -2.63 116.57 113.49 1mwb h LYS 42 Ca 0.10 -0.16 0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1mwb h LYS 42 Cb 0.35 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.82 1mwb h LYS 42 CO -0.26 0.73 0.62 1.96 -1.08 0.00 0.00 179.45 181.42 1mwb h GLN 43 N 0.77 1.15 -0.76 3.15 4.20 -1.18 1.12 115.11 123.57 1mwb h GLN 43 Ca 0.17 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.86 1mwb h GLN 43 Cb 0.29 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 1mwb h GLN 43 CO -0.00 0.76 0.46 -0.09 -0.67 0.00 0.00 178.83 179.29 1mwb h ARG 44 N 1.19 0.85 0.14 1.46 2.43 -0.91 0.15 114.38 119.69 1mwb h ARG 44 Ca 0.38 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 59.25 1mwb h ARG 44 Cb 0.02 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1mwb h ARG 44 CO -0.12 0.56 -1.19 0.00 -1.51 0.00 0.00 179.97 177.72 1mwb h ALA 45 N 1.35 0.03 0.03 2.80 0.00 -1.35 -3.00 119.26 119.13 1mwb h ALA 45 Ca 0.32 -0.90 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1mwb h ALA 45 Cb 0.10 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1mwb h ALA 45 CO -0.14 0.63 -0.07 1.25 0.00 0.00 0.00 179.25 180.92 1mwb h HIS 46 N -0.27 -0.17 -0.70 0.00 -0.00 0.14 0.24 115.15 114.39 1mwb h HIS 46 Ca -0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.09 1mwb h HIS 46 Cb 1.77 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 29.22 1mwb h HIS 46 CO 0.15 -0.11 0.26 1.96 -0.00 0.00 0.00 177.93 180.20 1mwb h GLN 47 N -0.14 1.06 -0.61 5.26 1.08 -0.86 -1.10 115.11 119.81 1mwb h GLN 47 Ca 0.02 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 1mwb h GLN 47 Cb 0.15 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 1mwb h GLN 47 CO -0.04 0.89 0.30 -0.22 -0.95 0.00 0.00 178.83 178.80 1mwb h LYS 48 N 1.01 0.88 -0.29 1.46 3.64 -1.33 -2.38 116.57 119.57 1mwb h LYS 48 Ca 0.23 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1mwb h LYS 48 Cb 0.24 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1mwb h LYS 48 CO -0.02 0.70 -0.13 0.00 -2.27 0.00 0.00 179.45 177.74 1mwb h ALA 49 N 1.13 1.24 -0.07 5.00 0.00 -0.21 -2.42 119.26 123.94 1mwb h ALA 49 Ca 0.21 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1mwb h ALA 49 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1mwb h ALA 49 CO -0.03 0.50 0.00 0.35 0.00 0.00 0.00 179.25 180.07 1mwb h PHE 50 N 0.45 -0.00 -0.33 0.00 3.04 -0.69 0.89 116.94 120.30 1mwb h PHE 50 Ca 0.08 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1mwb h PHE 50 Cb 0.50 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1mwb h PHE 50 CO 0.02 -0.01 0.15 1.25 -2.02 0.00 0.00 178.31 177.70 1mwb h LEU 51 N 0.03 0.43 -0.59 0.59 6.46 -1.35 -0.08 115.31 120.79 1mwb h LEU 51 Ca 0.03 -0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.60 1mwb h LEU 51 Cb 0.03 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 1mwb h LEU 51 CO -0.05 0.44 0.15 0.74 -0.62 0.00 0.00 178.44 179.10 1mwb h THR 52 N 0.39 1.25 -0.81 1.05 2.02 -1.18 -2.39 112.91 113.24 1mwb h THR 52 Ca 0.11 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 1mwb h THR 52 Cb 0.13 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1mwb h THR 52 CO -0.01 0.33 0.35 0.22 0.37 0.00 0.00 175.52 176.77 1mwb h TYR 53 N 0.84 1.21 -0.45 3.16 3.20 0.11 -2.49 116.97 122.55 1mwb h TYR 53 Ca 0.18 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 1mwb h TYR 53 Cb 0.34 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1mwb h TYR 53 CO 0.02 0.90 -0.11 0.00 -1.64 0.00 0.00 178.16 177.34 1mwb h ALA 54 N 1.18 0.96 -0.13 1.82 0.00 -0.81 2.61 119.26 124.89 1mwb h ALA 54 Ca 0.27 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1mwb h ALA 54 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1mwb h ALA 54 CO -0.03 0.61 -0.42 0.74 0.00 0.00 0.00 179.25 180.16 1mwb h PHE 55 N 0.74 0.34 0.00 0.00 -1.00 -1.19 -3.38 116.94 112.45 1mwb h PHE 55 Ca 0.12 -0.10 -0.24 0.00 2.81 0.00 0.00 57.97 60.57 1mwb h PHE 55 Cb 0.60 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 40.05 1mwb h PHE 55 CO 0.03 0.67 -1.85 0.41 -1.61 0.00 0.00 178.31 175.96 1mwb n GLY 56 N -0.13 -0.23 7.00 -1.45 0.00 -0.96 -4.96 105.19 104.46 1mwb n GLY 56 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1mwb n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwb n GLY 57 N 2.34 2.11 3.75 -0.02 0.00 0.87 -4.67 105.19 109.57 1mwb n GLY 57 Ca -0.29 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 4.65 0.00 2.61 2.01 -1.26 -4.78 115.64 118.86 1mwb s THR 58 Ca 0.00 1.71 0.00 0.00 0.31 0.00 0.00 61.69 63.71 1mwb s THR 58 Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1mwb s THR 58 CO 0.00 0.38 0.00 -0.67 -0.69 0.00 0.00 174.62 173.64 1mwb n ASP 59 N 2.65 0.00 -0.14 3.53 2.03 -1.26 -4.97 116.55 118.38 1mwb n ASP 59 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1mwb n ASP 59 Cb 0.50 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 1mwb n ASP 59 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1mwb n LYS 60 N -1.69 0.00 -4.29 -0.67 2.85 -1.26 -5.11 118.16 107.99 1mwb n LYS 60 Ca 0.00 -0.10 -0.34 0.00 -1.05 0.00 0.00 58.31 56.82 1mwb n LYS 60 Cb 0.00 -0.08 -0.11 0.00 -0.65 0.00 0.00 35.03 34.19 1mwb n LYS 60 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1mwb s TYR 61 N 0.00 3.11 0.05 5.58 5.04 -1.26 -5.11 117.35 124.77 1mwb s TYR 61 Ca 0.00 -0.10 0.01 0.00 -2.44 0.00 0.00 57.07 54.53 1mwb s TYR 61 Cb 0.00 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.32 1mwb s TYR 61 CO 0.00 0.11 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.76 1mwb s ASP 62 N 0.12 0.70 0.00 4.32 1.01 -1.26 -4.95 116.67 116.61 1mwb s ASP 62 Ca 0.01 -0.78 0.00 0.00 0.71 0.00 0.00 52.55 52.50 1mwb s ASP 62 Cb -0.13 0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.91 1mwb s ASP 62 CO 0.02 -0.40 0.00 0.61 0.21 0.00 0.00 175.17 175.61 1mwb n GLY 63 N 0.75 -0.57 0.33 0.21 0.00 -1.26 -5.00 105.19 99.64 1mwb n GLY 63 Ca -0.18 0.74 0.19 0.00 0.00 0.00 0.00 46.02 46.77 1mwb n GLY 63 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1mwb h ARG 64 N 0.00 0.00 -0.92 1.61 0.11 -2.02 -1.65 114.38 111.51 1mwb h ARG 64 Ca 0.00 0.00 0.15 0.00 0.10 0.00 0.00 59.98 60.23 1mwb h ARG 64 Cb 0.00 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.00 1mwb h ARG 64 CO 0.00 0.00 0.59 -0.92 0.10 0.00 0.00 179.97 179.74 1mwb h TYR 65 N 0.00 0.85 -0.87 4.08 3.20 -2.00 -0.08 116.97 122.15 1mwb h TYR 65 Ca 0.02 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1mwb h TYR 65 Cb 0.18 -0.27 -0.08 0.00 1.54 0.00 0.00 36.73 38.11 1mwb h TYR 65 CO 0.00 0.29 0.51 0.52 -1.64 0.00 0.00 178.16 177.84 1mwb h MET 66 N 0.70 0.80 -0.37 1.82 2.86 -1.71 -0.63 114.93 118.39 1mwb h MET 66 Ca 0.47 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.92 1mwb h MET 66 Cb 0.77 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1mwb h MET 66 CO -0.23 0.53 -0.34 0.00 1.06 0.00 0.00 176.91 177.93 1mwb h ARG 67 N 0.82 0.85 -0.90 1.72 3.08 -1.21 -2.37 114.38 116.38 1mwb h ARG 67 Ca 0.43 -0.42 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1mwb h ARG 67 Cb 0.42 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1mwb h ARG 67 CO -0.26 1.06 0.55 1.49 -1.07 0.00 0.00 179.97 181.73 1mwb h GLU 68 N 0.71 0.90 0.21 0.04 4.57 -0.60 0.79 114.58 121.18 1mwb h GLU 68 Ca 0.07 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1mwb h GLU 68 Cb 0.90 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1mwb h GLU 68 CO 0.08 0.60 -0.10 0.00 -1.18 0.00 0.00 179.01 178.41 1mwb h ALA 69 N 1.47 -0.28 -0.76 2.92 0.00 -1.33 -3.10 119.26 118.18 1mwb h ALA 69 Ca 0.42 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1mwb h ALA 69 Cb 0.33 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1mwb h ALA 69 CO -0.23 -0.28 0.46 0.45 0.00 0.00 0.00 179.25 179.65 1mwb h HIS 70 N -1.02 1.00 -0.61 0.00 3.86 -1.34 -2.18 115.15 114.86 1mwb h HIS 70 Ca -0.03 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1mwb h HIS 70 Cb 0.37 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 1mwb h HIS 70 CO 0.04 0.67 0.23 1.57 0.86 0.00 0.00 177.93 181.30 1mwb h LYS 71 N 1.05 0.89 -0.90 2.45 2.10 0.48 -1.13 116.57 121.50 1mwb h LYS 71 Ca 0.27 -0.14 0.14 0.00 -2.00 0.00 0.00 60.65 58.92 1mwb h LYS 71 Cb -0.04 -0.15 -0.07 0.00 -0.90 0.00 0.00 32.23 31.06 1mwb h LYS 71 CO -0.05 0.73 0.58 1.49 -2.00 0.00 0.00 179.45 180.20 1mwb h GLU 72 N 0.87 0.70 -0.38 0.07 4.57 -1.31 0.24 114.58 119.34 1mwb h GLU 72 Ca 0.21 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1mwb h GLU 72 Cb 0.18 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1mwb h GLU 72 CO -0.02 0.46 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.11 1mwb h LEU 73 N 0.72 0.64 -0.77 1.64 3.38 -1.15 -1.13 115.31 118.64 1mwb h LEU 73 Ca 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1mwb h LEU 73 Cb 0.70 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1mwb h LEU 73 CO -0.21 0.77 0.44 0.58 0.09 0.00 0.00 178.44 180.11 1mwb h VAL 74 N 0.61 1.22 0.06 1.22 2.07 -0.24 1.40 116.25 122.59 1mwb h VAL 74 Ca 0.11 -0.53 -0.28 0.00 0.82 0.00 0.00 66.70 66.82 1mwb h VAL 74 Cb 0.52 0.18 0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1mwb h VAL 74 CO 0.03 0.24 -1.14 -0.33 0.02 0.00 0.00 177.57 176.39 1mwb h GLU 75 N 1.05 0.65 0.04 1.57 5.08 -1.22 -2.57 114.58 119.18 1mwb h GLU 75 Ca 0.27 -0.78 -0.32 0.00 -1.00 0.00 0.00 59.36 57.53 1mwb h GLU 75 Cb 0.00 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1mwb h GLU 75 CO -0.05 1.35 -1.78 0.09 -1.00 0.00 0.00 179.01 177.62 1mwb n ASN 76 N -3.82 1.96 0.04 1.42 3.02 -0.45 -4.47 115.26 112.96 1mwb n ASN 76 Ca -0.12 0.30 0.12 0.00 -0.03 0.00 0.00 54.58 54.85 1mwb n ASN 76 Cb 0.93 -0.87 0.12 0.00 -0.61 0.00 0.00 39.78 39.35 1mwb n ASN 76 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1mwb n HIS 77 N -4.04 0.36 -2.82 3.10 8.25 0.45 -4.98 115.22 115.55 1mwb n HIS 77 Ca -0.37 0.11 -0.09 0.00 -0.26 0.00 0.00 57.72 57.11 1mwb n HIS 77 Cb 0.85 -0.51 0.03 0.00 1.12 0.00 0.00 29.99 31.48 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 0.25 3.72 -1.41 0.00 0.36 -4.95 105.19 104.54 1mwb n GLY 78 Ca 0.03 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.68 4.38 0.00 0.99 2.96 -1.18 -4.95 118.68 117.20 1mwb s LEU 79 Ca 0.16 2.21 0.04 0.00 -0.22 0.00 0.00 54.13 56.32 1mwb s LEU 79 Cb -0.07 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 1mwb s LEU 79 CO 0.30 -0.55 0.15 -0.46 -1.32 0.00 0.00 176.35 174.48 1mwb n ASN 80 N 3.65 1.20 0.01 3.68 6.94 -1.26 -4.65 115.26 124.82 1mwb n ASN 80 Ca 0.09 -3.22 0.10 0.00 -0.02 0.00 0.00 54.58 51.53 1mwb n ASN 80 Cb 0.44 1.07 0.52 0.00 -2.36 0.00 0.00 39.78 39.45 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 1.67 0.42 1.05 4.83 0.00 -1.97 -1.71 103.07 107.36 1mwb h GLY 81 Ca -0.32 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 46.88 1mwb h GLY 81 CO 0.51 0.11 0.64 0.83 0.00 0.00 0.00 176.54 178.63 1mwb h GLU 82 N 0.34 1.28 -0.01 4.80 5.08 -1.98 0.49 114.58 124.58 1mwb h GLU 82 Ca 0.19 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1mwb h GLU 82 Cb 0.31 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1mwb h GLU 82 CO -0.04 0.84 -0.00 0.45 -1.00 0.00 0.00 179.01 179.26 1mwb h HIS 83 N 1.31 0.01 -0.42 4.33 3.86 -1.72 -1.63 115.15 120.90 1mwb h HIS 83 Ca 0.36 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 1mwb h HIS 83 Cb -0.15 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1mwb h HIS 83 CO -0.00 0.40 0.22 0.35 0.86 0.00 0.00 177.93 179.76 1mwb h PHE 84 N -0.38 0.58 -0.90 2.45 3.57 -1.24 -2.68 116.94 118.35 1mwb h PHE 84 Ca 0.00 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1mwb h PHE 84 Cb 0.40 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1mwb h PHE 84 CO 0.06 0.46 0.58 -0.44 -2.23 0.00 0.00 178.31 176.74 1mwb h ASP 85 N 0.54 1.04 -0.75 0.41 3.32 -0.04 -2.19 116.42 118.75 1mwb h ASP 85 Ca 0.15 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1mwb h ASP 85 Cb 0.08 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 1mwb h ASP 85 CO -0.02 0.76 0.48 0.00 -1.72 0.00 0.00 179.24 178.74 1mwb h ALA 86 N 1.43 0.95 -0.66 3.45 0.00 -0.96 -1.40 119.26 122.06 1mwb h ALA 86 Ca 0.33 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1mwb h ALA 86 Cb -0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1mwb h ALA 86 CO -0.07 0.38 0.09 0.28 0.00 0.00 0.00 179.25 179.92 1mwb h VAL 87 N 1.01 1.26 -0.56 0.00 2.07 -1.19 -2.95 116.25 115.90 1mwb h VAL 87 Ca 0.27 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1mwb h VAL 87 Cb -0.10 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1mwb h VAL 87 CO -0.06 0.40 0.26 0.00 0.02 0.00 0.00 177.57 178.19 1mwb h ALA 88 N 1.05 0.72 -0.72 1.67 0.00 -0.89 -2.50 119.26 118.58 1mwb h ALA 88 Ca 0.20 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1mwb h ALA 88 Cb 0.47 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1mwb h ALA 88 CO 0.02 0.29 0.47 0.93 0.00 0.00 0.00 179.25 180.96 1mwb h GLU 89 N 0.75 0.72 -0.90 0.00 4.39 -1.11 -1.04 114.58 117.39 1mwb h GLU 89 Ca 0.19 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1mwb h GLU 89 Cb 0.13 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 1mwb h GLU 89 CO -0.02 0.48 0.57 -0.44 -1.16 0.00 0.00 179.01 178.44 1mwb h ASP 90 N 0.74 1.05 -0.55 1.42 3.32 -1.29 -2.06 116.42 119.05 1mwb h ASP 90 Ca 0.31 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1mwb h ASP 90 Cb 0.27 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1mwb h ASP 90 CO -0.10 0.78 0.18 0.25 -1.72 0.00 0.00 179.24 178.63 1mwb h LEU 91 N 1.23 0.80 -0.95 1.55 5.85 -1.10 -2.69 115.31 119.99 1mwb h LEU 91 Ca 0.33 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1mwb h LEU 91 Cb -0.10 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 1mwb h LEU 91 CO -0.07 0.79 0.56 -0.07 -0.34 0.00 0.00 178.44 179.32 1mwb h LEU 92 N 0.77 1.14 -1.07 2.25 -0.00 -1.03 -2.30 115.31 115.07 1mwb h LEU 92 Ca 0.18 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.96 1mwb h LEU 92 Cb 0.27 -0.29 -0.03 0.00 -0.00 0.00 0.00 40.66 40.61 1mwb h LEU 92 CO -0.01 0.88 0.33 0.00 -0.00 0.00 0.00 178.44 179.64 1mwb h ALA 93 N 1.31 1.27 -0.78 1.53 0.00 -1.14 -2.54 119.26 118.92 1mwb h ALA 93 Ca 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1mwb h ALA 93 Cb -0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1mwb h ALA 93 CO -0.06 0.56 0.45 1.15 0.00 0.00 0.00 179.25 181.34 1mwb h THR 94 N 0.98 1.23 -0.55 0.00 2.02 -1.10 -2.42 112.91 113.06 1mwb h THR 94 Ca 0.24 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 1mwb h THR 94 Cb 0.11 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1mwb h THR 94 CO -0.03 0.24 0.18 -0.07 0.37 0.00 0.00 175.52 176.21 1mwb h LEU 95 N 1.07 0.75 -1.09 2.58 3.38 -1.24 -2.55 115.31 118.22 1mwb h LEU 95 Ca 0.28 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1mwb h LEU 95 Cb -0.00 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1mwb h LEU 95 CO -0.05 0.71 0.62 0.11 0.09 0.00 0.00 178.44 179.91 1mwb h LYS 96 N 0.80 1.20 -0.67 1.13 1.57 -1.14 -1.66 116.57 117.79 1mwb h LYS 96 Ca 0.18 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1mwb h LYS 96 Cb 0.22 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1mwb h LYS 96 CO -0.01 0.79 0.31 1.49 -0.57 0.00 0.00 179.45 181.46 1mwb h GLU 97 N 1.24 0.98 -0.16 3.15 4.81 -1.31 -2.25 114.58 121.05 1mwb h GLU 97 Ca 0.35 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1mwb h GLU 97 Cb -0.10 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 1mwb h GLU 97 CO -0.08 0.79 -0.15 0.52 -0.73 0.00 0.00 179.01 179.36 1mwb h MET 98 N 0.94 0.26 0.00 1.92 2.86 -1.27 -3.47 114.93 116.17 1mwb h MET 98 Ca 0.23 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1mwb h MET 98 Cb 0.15 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1mwb h MET 98 CO -0.03 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.76 1mwb n GLY 99 N -0.82 0.98 3.75 8.32 0.00 -0.69 -5.05 105.19 111.70 1mwb n GLY 99 Ca -0.01 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 2.18 0.44 1.61 1.01 -1.16 -4.90 120.40 117.57 1mwb s VAL 100 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 1mwb s VAL 100 Cb 0.00 -3.10 -0.11 0.00 0.00 0.00 0.00 36.38 33.17 1mwb s VAL 100 CO 0.00 0.03 0.83 -0.81 0.00 0.00 0.00 175.10 175.14 1mwb n PRO 101 N 1.88 1.00 0.08 2.72 -0.04 -1.26 -4.77 135.00 134.59 1mwb n PRO 101 Ca 0.06 0.36 0.04 0.00 -0.04 0.00 0.00 63.50 63.93 1mwb n PRO 101 Cb 0.38 -1.85 0.45 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.13 0.37 -0.60 0.54 5.08 -1.99 -2.34 114.58 116.76 1mwb h GLU 102 Ca -0.43 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1mwb h GLU 102 Cb 1.36 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1mwb h GLU 102 CO 0.54 0.31 0.33 0.22 -1.00 0.00 0.00 179.01 179.41 1mwb h ASP 103 N 0.37 0.49 -0.15 1.42 3.58 -2.01 -1.41 116.42 118.72 1mwb h ASP 103 Ca 0.09 0.03 -0.15 0.00 0.42 0.00 0.00 57.03 57.42 1mwb h ASP 103 Cb 0.08 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.06 1mwb h ASP 103 CO -0.01 0.32 -0.51 -0.07 -2.88 0.00 0.00 179.24 176.09 1mwb h LEU 104 N 0.62 0.70 -1.17 2.28 3.38 -1.81 -3.04 115.31 116.27 1mwb h LEU 104 Ca 0.27 -0.61 0.13 0.00 0.09 0.00 0.00 57.88 57.76 1mwb h LEU 104 Cb 0.15 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 1mwb h LEU 104 CO -0.17 1.19 0.60 0.40 0.09 0.00 0.00 178.44 180.55 1mwb h ILE 105 N 0.25 0.88 -0.28 1.22 2.04 -1.09 0.73 117.51 121.25 1mwb h ILE 105 Ca -0.02 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1mwb h ILE 105 Cb 1.14 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1mwb h ILE 105 CO 0.11 0.15 0.03 0.00 0.00 0.00 0.00 178.15 178.44 1mwb h ALA 106 N 1.58 0.38 -0.34 1.87 0.00 -1.25 -1.96 119.26 119.54 1mwb h ALA 106 Ca 0.47 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1mwb h ALA 106 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1mwb h ALA 106 CO -0.23 0.08 -0.36 0.93 0.00 0.00 0.00 179.25 179.67 1mwb h GLU 107 N 0.29 0.79 -0.95 0.00 5.08 -1.08 -2.83 114.58 115.89 1mwb h GLU 107 Ca 0.08 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1mwb h GLU 107 Cb 0.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1mwb h GLU 107 CO 0.01 1.03 0.60 0.28 -1.00 0.00 0.00 179.01 179.92 1mwb h VAL 108 N 0.66 1.25 -0.18 3.13 2.07 0.50 -1.73 116.25 121.96 1mwb h VAL 108 Ca 0.06 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1mwb h VAL 108 Cb 0.92 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1mwb h VAL 108 CO 0.08 0.25 -0.23 0.00 0.02 0.00 0.00 177.57 177.70 1mwb h ALA 109 N 1.33 1.27 0.00 1.67 0.00 -1.25 -2.55 119.26 119.73 1mwb h ALA 109 Ca 0.34 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1mwb h ALA 109 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1mwb h ALA 109 CO -0.07 0.48 -0.18 0.00 0.00 0.00 0.00 179.25 179.48 1mwb h ALA 110 N 1.47 1.42 -0.66 0.00 0.00 -1.07 1.76 119.26 122.17 1mwb h ALA 110 Ca 0.05 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 110 Cb 0.58 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1mwb h ALA 110 CO 0.04 0.23 0.27 0.28 0.00 0.00 0.00 179.25 180.07 1mwb h VAL 111 N 0.00 0.77 -0.00 0.00 2.07 -1.18 -3.17 116.25 114.73 1mwb h VAL 111 Ca -0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1mwb h VAL 111 Cb 0.39 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1mwb h VAL 111 CO 0.02 0.08 -0.02 0.00 0.02 0.00 0.00 177.57 177.68 1mwb n ALA 112 N -2.46 2.16 1.87 1.67 0.00 -1.11 -4.39 120.51 118.25 1mwb n ALA 112 Ca 0.10 -0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1mwb n ALA 112 Cb 0.30 -0.02 0.42 0.00 0.00 0.00 0.00 19.45 20.15 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 0.80 -0.94 3.74 0.00 0.00 0.60 -4.76 105.19 104.63 1mwb n GLY 113 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 3.59 0.50 4.61 0.00 -1.21 -4.90 121.76 122.35 1mwb s ALA 114 Ca 0.21 1.21 0.20 0.00 0.00 0.00 0.00 51.96 53.58 1mwb s ALA 114 Cb 0.10 -3.53 1.26 0.00 0.00 0.00 0.00 23.12 20.95 1mwb s ALA 114 CO 0.16 -0.64 2.03 -1.00 0.00 0.00 0.00 175.76 176.31 1mwb h PRO 115 N 5.55 0.12 -0.71 0.00 0.13 -1.95 -1.35 132.00 133.80 1mwb h PRO 115 Ca -0.45 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1mwb h PRO 115 Cb 1.21 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1mwb h PRO 115 CO 0.80 0.08 0.31 0.00 -0.23 0.00 0.00 178.00 178.96 1mwb h ALA 116 N 1.78 1.22 -0.78 -0.56 0.00 -1.95 -2.63 119.26 116.34 1mwb h ALA 116 Ca 0.20 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1mwb h ALA 116 Cb 0.65 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1mwb h ALA 116 CO -0.02 0.58 0.51 1.25 0.00 0.00 0.00 179.25 181.57 1mwb h HIS 117 N 1.01 0.99 -0.75 0.00 6.17 -1.55 -2.25 115.15 118.78 1mwb h HIS 117 Ca 0.24 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.37 1mwb h HIS 117 Cb 0.14 -0.33 -0.04 0.00 2.52 0.00 0.00 27.41 29.70 1mwb h HIS 117 CO 0.01 0.63 0.49 0.87 0.71 0.00 0.00 177.93 180.65 1mwb h LYS 118 N 1.06 0.90 -0.97 5.26 1.57 -1.49 -2.08 116.57 120.83 1mwb h LYS 118 Ca 0.29 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 1mwb h LYS 118 Cb -0.11 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 31.93 1mwb h LYS 118 CO -0.06 0.59 0.62 0.00 -0.57 0.00 0.00 179.45 180.03 1mwb h ARG 119 N 0.92 1.03 -0.52 3.15 3.08 -1.29 0.23 114.38 120.98 1mwb h ARG 119 Ca 0.29 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 1mwb h ARG 119 Cb 0.03 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1mwb h ARG 119 CO -0.08 0.68 0.22 -0.44 -1.07 0.00 0.00 179.97 179.28 1mwb h ASP 120 N 1.06 0.71 0.15 7.04 3.32 -1.38 0.95 116.42 128.27 1mwb h ASP 120 Ca 0.43 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1mwb h ASP 120 Cb 0.28 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1mwb h ASP 120 CO -0.19 0.67 -0.07 0.58 -1.72 0.00 0.00 179.24 178.51 1mwb h VAL 121 N 0.70 0.75 -0.25 -1.35 2.07 -1.32 -3.36 116.25 113.50 1mwb h VAL 121 Ca 0.18 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 1mwb h VAL 121 Cb 0.18 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1mwb h VAL 121 CO -0.02 0.21 -0.14 -0.07 0.02 0.00 0.00 177.57 177.57 1mwb h LEU 122 N -0.92 0.55 -1.17 2.57 4.07 -0.64 -3.37 115.31 116.40 1mwb h LEU 122 Ca -0.02 -0.42 -0.42 0.00 0.08 0.00 0.00 57.88 57.09 1mwb h LEU 122 Cb 0.50 -0.15 0.06 0.00 1.08 0.00 0.00 40.66 42.15 1mwb h LEU 122 CO 0.03 0.86 -0.75 0.59 -1.08 0.00 0.00 178.44 178.09 1mwb n ASN 123 N -4.46 -4.31 -0.93 -0.43 3.02 0.33 -4.94 115.26 103.53 1mwb n ASN 123 Ca -0.04 -0.69 0.12 0.00 -0.03 0.00 0.00 54.58 53.94 1mwb n ASN 123 Cb 0.37 -4.45 0.10 0.00 -0.61 0.00 0.00 39.78 35.18 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64