#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 0.06 -0.68 6.66 1.35 -2.04 -2.85 112.91 115.41 1mwb h THR 3 Ca 0.00 -0.53 0.04 0.00 -0.55 0.00 0.00 66.41 65.38 1mwb h THR 3 Cb 0.00 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 1mwb h THR 3 CO 0.00 0.02 0.45 -0.07 -0.25 0.00 0.00 175.52 175.67 1mwb h LEU 4 N 0.00 0.68 -2.01 3.87 3.38 -2.03 0.46 115.31 119.65 1mwb h LEU 4 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1mwb h LEU 4 Cb 0.49 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1mwb h LEU 4 CO 0.00 0.46 -0.08 1.88 0.09 0.00 0.00 178.44 180.79 1mwb h TYR 5 N 0.78 0.00 -0.91 1.13 0.05 -1.86 -2.54 116.97 113.62 1mwb h TYR 5 Ca 0.28 0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.20 1mwb h TYR 5 Cb 0.13 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.79 1mwb h TYR 5 CO -0.00 0.08 0.59 1.49 -1.05 0.00 0.00 178.16 179.26 1mwb h GLU 6 N 0.00 0.71 -0.61 4.88 4.57 -1.05 1.04 114.58 124.12 1mwb h GLU 6 Ca -0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1mwb h GLU 6 Cb 0.31 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1mwb h GLU 6 CO 0.01 0.47 0.37 -0.22 -1.18 0.00 0.00 179.01 178.46 1mwb h LYS 7 N 0.73 0.82 -0.14 1.92 3.64 -1.58 0.92 116.57 122.88 1mwb h LYS 7 Ca 0.46 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1mwb h LYS 7 Cb 0.71 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1mwb h LYS 7 CO -0.22 0.57 0.00 1.28 -2.27 0.00 0.00 179.45 178.81 1mwb n LEU 8 N -4.41 0.91 0.00 5.20 4.77 0.81 -4.81 117.00 119.46 1mwb n LEU 8 Ca 0.06 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1mwb n LEU 8 Cb 0.07 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1mwb n LEU 8 CO 0.36 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1mwb n GLY 9 N 0.87 0.85 4.85 -0.72 0.00 0.31 -4.49 105.19 106.86 1mwb n GLY 9 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.90 -1.79 0.28 -0.02 0.00 0.32 -4.09 105.19 97.98 1mwb n GLY 10 Ca 0.00 -1.57 0.16 0.00 0.00 0.00 0.00 46.02 44.61 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 0.28 -0.81 2.61 1.35 -1.92 -2.70 112.91 111.72 1mwb h THR 11 Ca 0.00 -0.51 0.02 0.00 -0.55 0.00 0.00 66.41 65.38 1mwb h THR 11 Cb 0.00 1.39 -0.05 0.00 -1.73 0.00 0.00 68.15 67.76 1mwb h THR 11 CO 0.00 0.07 0.52 0.71 -0.25 0.00 0.00 175.52 176.58 1mwb h THR 12 N 0.00 1.15 -0.19 6.82 1.35 -1.95 1.07 112.91 121.17 1mwb h THR 12 Ca -0.00 -0.36 -0.10 0.00 -0.55 0.00 0.00 66.41 65.40 1mwb h THR 12 Cb 0.38 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.83 1mwb h THR 12 CO 0.01 0.19 -0.27 0.00 -0.25 0.00 0.00 175.52 175.20 1mwb h ALA 13 N 1.32 0.28 -0.58 6.62 0.00 -1.63 -2.05 119.26 123.22 1mwb h ALA 13 Ca 0.31 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1mwb h ALA 13 Cb -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1mwb h ALA 13 CO -0.10 0.28 0.20 0.28 0.00 0.00 0.00 179.25 179.92 1mwb h VAL 14 N 0.17 1.23 -0.69 0.00 2.07 -1.38 -2.41 116.25 115.24 1mwb h VAL 14 Ca 0.02 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1mwb h VAL 14 Cb 0.85 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1mwb h VAL 14 CO 0.06 0.29 0.43 0.44 0.02 0.00 0.00 177.57 178.82 1mwb h ASP 15 N 0.81 0.81 -0.77 0.57 3.32 0.12 -1.83 116.42 119.46 1mwb h ASP 15 Ca 0.19 -0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.29 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 0.61 0.42 0.25 -1.72 0.00 0.00 179.24 178.79 1mwb h LEU 16 N 0.95 0.60 -0.23 1.55 6.46 -0.85 1.27 115.31 125.05 1mwb h LEU 16 Ca 0.25 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 58.00 1mwb h LEU 16 Cb -0.07 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1mwb h LEU 16 CO -0.05 0.35 -0.07 0.00 -0.62 0.00 0.00 178.44 178.05 1mwb h ALA 17 N 1.43 0.32 -0.42 1.25 0.00 -1.24 -2.09 119.26 118.52 1mwb h ALA 17 Ca 0.37 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1mwb h ALA 17 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1mwb h ALA 17 CO -0.24 0.13 -0.11 0.28 0.00 0.00 0.00 179.25 179.31 1mwb h VAL 18 N 0.18 1.28 0.09 0.00 2.07 -0.73 0.10 116.25 119.24 1mwb h VAL 18 Ca 0.06 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1mwb h VAL 18 Cb 0.54 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1mwb h VAL 18 CO 0.03 0.41 -0.07 -0.78 0.02 0.00 0.00 177.57 177.18 1mwb h ASP 19 N 0.63 -0.18 -0.49 0.57 3.58 0.16 0.20 116.42 120.89 1mwb h ASP 19 Ca 0.10 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 1mwb h ASP 19 Cb 0.65 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 1mwb h ASP 19 CO 0.04 -0.11 0.07 0.50 -2.88 0.00 0.00 179.24 176.86 1mwb h LYS 20 N -0.17 0.82 -0.74 0.28 3.64 -1.38 -2.72 116.57 116.29 1mwb h LYS 20 Ca -0.00 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1mwb h LYS 20 Cb 0.15 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1mwb h LYS 20 CO -0.01 0.83 0.45 0.35 -2.27 0.00 0.00 179.45 178.81 1mwb h PHE 21 N 0.69 0.85 -0.88 1.91 3.57 -0.71 -1.97 116.94 120.39 1mwb h PHE 21 Ca 0.15 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1mwb h PHE 21 Cb 0.41 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1mwb h PHE 21 CO 0.03 0.45 0.58 -0.92 -2.23 0.00 0.00 178.31 176.23 1mwb h TYR 22 N 0.86 1.10 -0.51 0.41 3.20 -0.39 -2.31 116.97 119.34 1mwb h TYR 22 Ca 0.31 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.15 1mwb h TYR 22 Cb 0.09 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 1mwb h TYR 22 CO -0.05 0.68 0.09 0.93 -1.64 0.00 0.00 178.16 178.17 1mwb h GLU 23 N 1.18 0.80 -0.78 1.82 5.08 -1.08 -2.71 114.58 118.90 1mwb h GLU 23 Ca 0.33 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1mwb h GLU 23 Cb -0.11 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 1mwb h GLU 23 CO -0.08 0.75 0.49 0.00 -1.00 0.00 0.00 179.01 179.17 1mwb h ARG 24 N 0.76 1.04 -0.30 2.33 3.08 -0.85 -0.83 114.38 119.61 1mwb h ARG 24 Ca 0.16 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1mwb h ARG 24 Cb 0.34 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1mwb h ARG 24 CO 0.01 0.71 0.12 0.28 -1.07 0.00 0.00 179.97 180.01 1mwb h VAL 25 N 1.06 1.18 -0.55 2.04 2.07 -1.32 -2.04 116.25 118.70 1mwb h VAL 25 Ca 0.28 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1mwb h VAL 25 Cb -0.09 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1mwb h VAL 25 CO -0.06 0.19 0.08 -0.07 0.02 0.00 0.00 177.57 177.73 1mwb h LEU 26 N 0.34 0.84 -1.45 2.57 3.38 -1.39 -2.42 115.31 117.19 1mwb h LEU 26 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1mwb h LEU 26 Cb 0.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1mwb h LEU 26 CO -0.01 0.86 0.32 -0.61 0.09 0.00 0.00 178.44 179.10 1mwb h GLN 27 N 0.84 0.70 -6.43 1.13 5.75 -0.87 -3.38 115.11 112.85 1mwb h GLN 27 Ca 0.17 -0.05 -0.54 0.00 -0.15 0.00 0.00 58.65 58.08 1mwb h GLN 27 Cb 0.39 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 28.71 1mwb h GLN 27 CO 0.01 0.48 1.05 0.34 -2.65 0.00 0.00 178.83 178.06 1mwb s ASP 28 N -6.58 6.22 0.42 -0.69 2.15 -0.79 -4.86 116.67 112.54 1mwb s ASP 28 Ca -0.09 -0.15 0.11 0.00 0.43 0.00 0.00 52.55 52.85 1mwb s ASP 28 Cb 0.17 -2.56 0.91 0.00 -0.30 0.00 0.00 42.92 41.14 1mwb s ASP 28 CO 0.75 -1.72 1.98 -0.78 -0.17 0.00 0.00 175.17 175.23 1mwb h ASP 29 N 10.15 0.18 -0.99 -0.34 3.58 -1.82 0.35 116.42 127.52 1mwb h ASP 29 Ca -0.27 -0.03 0.12 0.00 0.42 0.00 0.00 57.03 57.27 1mwb h ASP 29 Cb 1.06 -0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.98 1mwb h ASP 29 CO 1.24 0.28 0.62 0.03 -2.88 0.00 0.00 179.24 178.53 1mwb h ARG 30 N 0.19 0.97 -0.01 0.28 2.47 -1.93 -2.74 114.38 113.61 1mwb h ARG 30 Ca 0.04 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1mwb h ARG 30 Cb 0.26 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1mwb h ARG 30 CO 0.01 0.64 -0.12 0.44 0.56 0.00 0.00 179.97 181.50 1mwb n ILE 31 N -4.62 0.00 -0.14 2.04 -5.35 -1.08 -4.58 119.36 105.63 1mwb n ILE 31 Ca 0.18 -0.44 0.07 0.00 -0.27 0.00 0.00 62.75 62.29 1mwb n ILE 31 Cb 0.34 1.17 0.38 0.00 -1.74 0.00 0.00 39.64 39.79 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 1.62 0.67 -0.83 6.28 3.64 -0.60 -1.38 116.57 125.96 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 0.40 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 1mwb h LYS 32 CO 0.00 0.44 0.54 1.12 -2.27 0.00 0.00 179.45 179.28 1mwb h HIS 33 N 0.69 0.84 -0.69 1.91 2.07 -1.81 2.23 115.15 120.39 1mwb h HIS 33 Ca 0.29 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.77 1mwb h HIS 33 Cb 0.25 -0.27 -0.03 0.00 2.57 0.00 0.00 27.41 29.93 1mwb h HIS 33 CO -0.00 0.39 0.20 0.74 -3.07 0.00 0.00 177.93 176.19 1mwb h PHE 34 N 0.78 1.14 -0.54 6.12 0.04 -1.58 -2.80 116.94 120.10 1mwb h PHE 34 Ca 0.38 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 61.03 1mwb h PHE 34 Cb 0.44 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1mwb h PHE 34 CO -0.00 0.91 0.00 1.19 -0.60 0.00 0.00 178.31 179.81 1mwb n PHE 35 N -4.29 0.71 -0.06 -0.55 3.72 -0.17 -4.43 117.46 112.39 1mwb n PHE 35 Ca 0.05 -0.35 0.05 0.00 -0.05 0.00 0.00 57.45 57.15 1mwb n PHE 35 Cb 0.23 0.00 0.40 0.00 -0.94 0.00 0.00 39.48 39.18 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 4.46 1.72 -2.69 4.37 0.00 0.39 -3.34 119.26 124.17 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 0.99 -0.18 -0.39 0.00 0.00 0.00 0.00 17.79 18.21 1mwb h ALA 36 CO 0.00 0.23 -0.83 -0.51 0.00 0.00 0.00 179.25 178.15 1mwb s ASP 37 N -6.52 3.00 -0.12 0.00 1.01 -1.26 -5.07 116.67 107.71 1mwb s ASP 37 Ca -0.09 -2.50 -0.11 0.00 0.71 0.00 0.00 52.55 50.57 1mwb s ASP 37 Cb 0.18 -0.63 0.03 0.00 1.01 0.00 0.00 42.92 43.51 1mwb s ASP 37 CO 0.75 -0.27 0.33 -0.69 0.21 0.00 0.00 175.17 175.49 1mwb s VAL 38 N 0.63 -0.00 0.52 -1.27 1.01 -1.26 -5.11 120.40 114.93 1mwb s VAL 38 Ca 0.20 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 1mwb s VAL 38 Cb -0.19 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.67 1mwb s VAL 38 CO -0.03 0.01 1.22 1.51 0.00 0.00 0.00 175.10 177.81 1mwb s ASP 39 N 0.30 5.68 0.44 3.32 1.47 -1.26 -4.91 116.67 121.71 1mwb s ASP 39 Ca -0.01 2.42 0.10 0.00 1.18 0.00 0.00 52.55 56.24 1mwb s ASP 39 Cb -0.03 -2.61 0.97 0.00 -0.34 0.00 0.00 42.92 40.91 1mwb s ASP 39 CO -0.01 -1.26 2.08 0.24 0.68 0.00 0.00 175.17 176.90 1mwb h MET 40 N 1.56 0.37 0.01 2.11 2.86 -2.01 -2.78 114.93 117.05 1mwb h MET 40 Ca -0.50 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.13 1mwb h MET 40 Cb 1.27 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 1mwb h MET 40 CO 0.58 0.26 -0.12 0.00 1.06 0.00 0.00 176.91 178.69 1mwb h ALA 41 N 1.81 -0.14 -0.70 6.32 0.00 -2.00 -0.28 119.26 124.26 1mwb h ALA 41 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1mwb h ALA 41 Cb -0.02 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1mwb h ALA 41 CO -0.02 -0.62 0.26 0.87 0.00 0.00 0.00 179.25 179.75 1mwb h LYS 42 N -0.21 1.04 -0.74 0.00 1.79 -1.89 -2.70 116.57 113.86 1mwb h LYS 42 Ca 0.04 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1mwb h LYS 42 Cb 0.26 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 1mwb h LYS 42 CO -0.11 0.86 0.44 1.96 -1.08 0.00 0.00 179.45 181.52 1mwb h GLN 43 N 1.02 1.01 -0.58 3.15 1.08 -1.18 0.55 115.11 120.16 1mwb h GLN 43 Ca 0.23 -0.10 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1mwb h GLN 43 Cb 0.22 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1mwb h GLN 43 CO -0.02 0.72 0.38 -0.09 -0.95 0.00 0.00 178.83 178.88 1mwb h ARG 44 N 1.02 0.76 -0.11 1.46 9.65 -0.75 0.81 114.38 127.21 1mwb h ARG 44 Ca 0.27 -0.05 -0.20 0.00 -1.10 0.00 0.00 59.98 58.91 1mwb h ARG 44 Cb -0.03 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 28.39 1mwb h ARG 44 CO -0.05 0.50 -0.69 0.00 2.80 0.00 0.00 179.97 182.53 1mwb h ALA 45 N 1.22 0.23 0.08 2.80 0.00 -1.21 -2.07 119.26 120.31 1mwb h ALA 45 Ca 0.22 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1mwb h ALA 45 Cb -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1mwb h ALA 45 CO -0.05 0.55 -0.04 1.25 0.00 0.00 0.00 179.25 180.96 1mwb h HIS 46 N 0.33 -0.10 -0.64 0.00 -0.00 0.33 -0.99 115.15 114.07 1mwb h HIS 46 Ca -0.05 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.24 1mwb h HIS 46 Cb 1.34 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.75 1mwb h HIS 46 CO 0.10 -0.03 0.11 1.96 -0.00 0.00 0.00 177.93 180.07 1mwb h GLN 47 N -0.15 1.04 -0.63 5.26 1.08 -0.93 -1.93 115.11 118.85 1mwb h GLN 47 Ca -0.01 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1mwb h GLN 47 Cb 0.12 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1mwb h GLN 47 CO 0.02 0.95 0.41 -0.22 -0.95 0.00 0.00 178.83 179.04 1mwb h LYS 48 N 0.98 0.84 -0.43 1.46 3.64 -1.15 -1.44 116.57 120.47 1mwb h LYS 48 Ca 0.20 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1mwb h LYS 48 Cb 0.41 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1mwb h LYS 48 CO 0.01 0.58 -0.13 0.00 -2.27 0.00 0.00 179.45 177.64 1mwb h ALA 49 N 1.22 0.98 0.11 5.00 0.00 -0.97 -2.00 119.26 123.60 1mwb h ALA 49 Ca 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1mwb h ALA 49 Cb -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1mwb h ALA 49 CO -0.05 0.60 -0.05 0.35 0.00 0.00 0.00 179.25 180.10 1mwb h PHE 50 N 0.70 -0.14 -0.65 0.00 3.04 -0.82 -0.75 116.94 118.33 1mwb h PHE 50 Ca 0.12 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1mwb h PHE 50 Cb 0.61 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.14 1mwb h PHE 50 CO 0.03 0.01 0.35 1.25 -2.02 0.00 0.00 178.31 177.93 1mwb h LEU 51 N -0.26 0.81 -0.72 0.59 6.46 -1.24 -1.93 115.31 119.03 1mwb h LEU 51 Ca -0.02 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1mwb h LEU 51 Cb 0.21 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 1mwb h LEU 51 CO 0.03 0.67 0.40 0.74 -0.62 0.00 0.00 178.44 179.66 1mwb h THR 52 N 0.89 1.22 -0.44 1.05 2.02 -1.24 -2.62 112.91 113.79 1mwb h THR 52 Ca 0.23 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1mwb h THR 52 Cb 0.04 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1mwb h THR 52 CO -0.04 0.24 0.02 0.22 0.37 0.00 0.00 175.52 176.33 1mwb h TYR 53 N 0.99 0.73 -0.72 3.16 3.20 -0.79 -2.94 116.97 120.60 1mwb h TYR 53 Ca 0.25 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1mwb h TYR 53 Cb 0.03 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 1mwb h TYR 53 CO -0.00 0.68 0.27 0.00 -1.64 0.00 0.00 178.16 177.47 1mwb h ALA 54 N 1.36 1.12 0.00 1.82 0.00 -0.98 2.88 119.26 125.46 1mwb h ALA 54 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 54 Cb 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1mwb h ALA 54 CO 0.01 0.62 0.00 0.74 0.00 0.00 0.00 179.25 180.63 1mwb h PHE 55 N 1.05 0.00 -0.10 0.00 -1.00 -1.38 -3.37 116.94 112.14 1mwb h PHE 55 Ca 0.24 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.84 1mwb h PHE 55 Cb 0.22 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 39.57 1mwb h PHE 55 CO 0.02 0.00 -0.48 0.41 -1.61 0.00 0.00 178.31 176.65 1mwb n GLY 56 N 0.91 1.91 0.32 -1.45 0.00 -1.02 -4.93 105.19 100.94 1mwb n GLY 56 Ca 0.04 -0.38 0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 1.32 0.00 -7.03 -0.02 0.00 0.50 -3.37 103.07 94.48 1mwb h GLY 57 Ca -0.38 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.61 1mwb h GLY 57 CO -0.11 0.00 0.82 2.41 0.00 0.00 0.00 176.54 179.67 1mwb n THR 58 N -3.51 0.10 -3.53 4.70 -1.04 -1.26 -4.71 114.28 105.04 1mwb n THR 58 Ca -0.02 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.05 61.78 1mwb n THR 58 Cb 0.15 -2.01 -0.04 0.00 -1.82 0.00 0.00 70.33 66.61 1mwb n THR 58 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1mwb s ASP 59 N 7.58 -0.45 -0.14 8.00 2.15 -1.26 -5.15 116.67 127.40 1mwb s ASP 59 Ca 0.74 0.32 -0.14 0.00 0.43 0.00 0.00 52.55 53.89 1mwb s ASP 59 Cb 0.06 0.41 -0.05 0.00 -0.30 0.00 0.00 42.92 43.04 1mwb s ASP 59 CO 0.27 -0.54 0.33 -0.54 -0.17 0.00 0.00 175.17 174.52 1mwb s LYS 60 N -1.96 4.21 -0.15 4.34 1.02 -1.26 -5.06 119.74 120.89 1mwb s LYS 60 Ca -0.02 0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.17 1mwb s LYS 60 Cb -0.01 -3.40 0.02 0.00 -0.52 0.00 0.00 37.83 33.92 1mwb s LYS 60 CO -0.01 0.28 -0.18 -0.47 -0.92 0.00 0.00 175.35 174.06 1mwb s TYR 61 N 0.30 2.39 -0.06 3.18 5.04 -1.26 -5.12 117.35 121.82 1mwb s TYR 61 Ca 0.19 -1.29 -0.18 0.00 -2.44 0.00 0.00 57.07 53.35 1mwb s TYR 61 Cb -0.14 -1.69 -0.05 0.00 0.35 0.00 0.00 41.96 40.44 1mwb s TYR 61 CO 0.06 -0.65 0.49 -0.51 -1.34 0.00 0.00 175.55 173.60 1mwb s ASP 62 N 1.18 6.78 0.00 4.32 1.01 -1.26 -4.95 116.67 123.75 1mwb s ASP 62 Ca -0.00 0.93 0.00 0.00 0.71 0.00 0.00 52.55 54.19 1mwb s ASP 62 Cb -0.14 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1mwb s ASP 62 CO -0.07 0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.02 1mwb n GLY 63 N 2.73 -0.78 0.31 0.21 0.00 -1.26 -5.01 105.19 101.39 1mwb n GLY 63 Ca -0.09 0.61 0.14 0.00 0.00 0.00 0.00 46.02 46.68 1mwb n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mwb h ARG 64 N 0.00 0.00 -0.80 1.61 3.08 -2.01 -2.00 114.38 114.26 1mwb h ARG 64 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1mwb h ARG 64 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 1mwb h ARG 64 CO 0.00 0.00 0.37 -0.92 -1.07 0.00 0.00 179.97 178.35 1mwb h TYR 65 N 0.00 0.64 -0.93 3.04 3.20 -2.00 0.74 116.97 121.66 1mwb h TYR 65 Ca 0.06 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1mwb h TYR 65 Cb 0.29 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 1mwb h TYR 65 CO 0.00 0.12 0.62 0.52 -1.64 0.00 0.00 178.16 177.78 1mwb h MET 66 N 0.53 1.23 -0.78 1.82 2.86 -1.77 -1.75 114.93 117.07 1mwb h MET 66 Ca 0.44 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.97 1mwb h MET 66 Cb 0.64 -0.28 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1mwb h MET 66 CO -0.38 0.82 0.37 -0.09 1.06 0.00 0.00 176.91 178.68 1mwb h ARG 67 N 1.27 1.12 -0.74 1.72 2.43 -1.01 -2.48 114.38 116.70 1mwb h ARG 67 Ca 0.34 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1mwb h ARG 67 Cb -0.14 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.17 1mwb h ARG 67 CO -0.07 0.87 0.44 0.93 -1.51 0.00 0.00 179.97 180.63 1mwb h GLU 68 N 1.11 1.00 0.43 0.20 5.08 -0.32 0.26 114.58 122.34 1mwb h GLU 68 Ca 0.27 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1mwb h GLU 68 Cb 0.12 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1mwb h GLU 68 CO -0.03 0.70 -0.21 0.00 -1.00 0.00 0.00 179.01 178.47 1mwb h ALA 69 N 1.48 -0.58 -0.31 3.43 0.00 -1.11 -3.15 119.26 119.02 1mwb h ALA 69 Ca 0.27 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1mwb h ALA 69 Cb -0.04 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1mwb h ALA 69 CO -0.05 -0.54 -0.07 0.45 0.00 0.00 0.00 179.25 179.04 1mwb h HIS 70 N -1.14 0.53 -0.81 0.00 3.86 -1.45 -2.87 115.15 113.27 1mwb h HIS 70 Ca -0.06 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 1mwb h HIS 70 Cb 0.46 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 1mwb h HIS 70 CO 0.00 0.57 0.40 1.57 0.86 0.00 0.00 177.93 181.34 1mwb h LYS 71 N 0.47 1.14 -0.61 2.45 2.10 -0.59 -1.33 116.57 120.20 1mwb h LYS 71 Ca 0.09 -0.15 0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1mwb h LYS 71 Cb 0.42 -0.21 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 1mwb h LYS 71 CO 0.02 0.87 0.41 0.93 -2.00 0.00 0.00 179.45 179.68 1mwb h GLU 72 N 1.14 0.79 -0.44 0.07 5.08 -1.46 -0.71 114.58 119.04 1mwb h GLU 72 Ca 0.28 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1mwb h GLU 72 Cb 0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1mwb h GLU 72 CO -0.04 0.52 0.09 -0.07 -1.00 0.00 0.00 179.01 178.52 1mwb h LEU 73 N 0.81 0.62 -1.36 1.33 3.38 -1.21 1.09 115.31 119.97 1mwb h LEU 73 Ca 0.23 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1mwb h LEU 73 Cb -0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1mwb h LEU 73 CO -0.05 0.63 0.06 0.58 0.09 0.00 0.00 178.44 179.75 1mwb h VAL 74 N 0.65 1.17 0.00 1.22 2.07 -0.66 0.65 116.25 121.35 1mwb h VAL 74 Ca 0.15 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 1mwb h VAL 74 Cb 0.27 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1mwb h VAL 74 CO -0.00 0.22 -1.25 -0.62 0.02 0.00 0.00 177.57 175.93 1mwb n GLU 75 N -4.34 0.52 -0.22 1.57 1.02 -0.89 -3.08 120.64 115.22 1mwb n GLU 75 Ca 0.02 0.21 -0.06 0.00 -0.02 0.00 0.00 57.16 57.31 1mwb n GLU 75 Cb 0.19 -1.40 0.04 0.00 -0.02 0.00 0.00 31.44 30.25 1mwb n GLU 75 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1mwb h ASN 76 N -0.96 0.72 0.00 1.62 -0.26 0.11 -3.17 115.58 113.64 1mwb h ASN 76 Ca -0.13 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 1mwb h ASN 76 Cb 1.08 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 38.16 1mwb h ASN 76 CO -0.08 0.55 -1.37 1.41 -1.06 0.00 0.00 177.43 176.87 1mwb n HIS 77 N -4.63 0.00 -2.52 1.19 8.25 -0.65 -5.01 115.22 111.85 1mwb n HIS 77 Ca 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.46 1mwb n HIS 77 Cb 0.04 -0.21 0.02 0.00 1.12 0.00 0.00 29.99 30.96 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 1.42 0.43 3.73 -1.41 0.00 0.19 -4.95 105.19 104.60 1mwb n GLY 78 Ca 0.00 -0.41 -0.40 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 -2.70 4.41 0.39 0.99 2.96 0.71 -4.91 118.68 120.53 1mwb s LEU 79 Ca 0.06 1.48 0.04 0.00 -0.22 0.00 0.00 54.13 55.48 1mwb s LEU 79 Cb -0.03 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 1mwb s LEU 79 CO 0.16 -0.07 0.12 0.54 -1.32 0.00 0.00 176.35 175.78 1mwb s ASN 80 N 0.33 2.65 0.51 3.68 4.22 -1.26 -4.25 114.94 120.83 1mwb s ASN 80 Ca 0.42 -1.63 0.20 0.00 -2.14 0.00 0.00 52.86 49.72 1mwb s ASN 80 Cb -0.20 0.42 1.29 0.00 1.28 0.00 0.00 41.25 44.04 1mwb s ASN 80 CO 0.24 -0.89 2.04 1.23 -2.04 0.00 0.00 177.10 177.68 1mwb h GLY 81 N 1.86 0.11 0.82 0.45 0.00 -1.98 -1.18 103.07 103.15 1mwb h GLY 81 Ca -0.36 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 46.99 1mwb h GLY 81 CO 0.58 0.02 0.65 0.83 0.00 0.00 0.00 176.54 178.62 1mwb h GLU 82 N 0.08 1.18 -0.38 4.80 5.08 -1.99 0.67 114.58 124.02 1mwb h GLU 82 Ca 0.19 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1mwb h GLU 82 Cb 0.64 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1mwb h GLU 82 CO -0.02 0.78 0.08 0.45 -1.00 0.00 0.00 179.01 179.30 1mwb h HIS 83 N 1.22 0.66 -0.47 4.33 3.86 -1.62 -1.53 115.15 121.60 1mwb h HIS 83 Ca 0.41 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.54 1mwb h HIS 83 Cb 0.07 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1mwb h HIS 83 CO -0.00 0.65 0.31 0.35 0.86 0.00 0.00 177.93 180.09 1mwb h PHE 84 N 0.47 0.58 -0.65 2.45 3.04 -1.25 -2.26 116.94 119.32 1mwb h PHE 84 Ca 0.12 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.06 1mwb h PHE 84 Cb 0.34 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 1mwb h PHE 84 CO 0.02 0.36 0.31 -0.44 -2.02 0.00 0.00 178.31 176.54 1mwb h ASP 85 N 0.62 0.84 -0.58 0.41 3.32 -0.73 -1.73 116.42 118.57 1mwb h ASP 85 Ca 0.18 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1mwb h ASP 85 Cb -0.06 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1mwb h ASP 85 CO -0.05 0.71 0.31 0.00 -1.72 0.00 0.00 179.24 178.50 1mwb h ALA 86 N 1.42 0.74 -0.42 3.45 0.00 -0.72 0.79 119.26 124.52 1mwb h ALA 86 Ca 0.23 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1mwb h ALA 86 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1mwb h ALA 86 CO -0.03 0.27 -0.06 0.28 0.00 0.00 0.00 179.25 179.71 1mwb h VAL 87 N 0.78 1.27 -0.66 0.00 2.07 -1.11 -2.84 116.25 115.76 1mwb h VAL 87 Ca 0.20 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 1mwb h VAL 87 Cb 0.06 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1mwb h VAL 87 CO -0.03 0.38 0.19 0.00 0.02 0.00 0.00 177.57 178.14 1mwb h ALA 88 N 0.87 1.09 -0.84 1.67 0.00 -1.06 -2.53 119.26 118.46 1mwb h ALA 88 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 88 Cb 0.57 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1mwb h ALA 88 CO 0.03 0.62 0.55 1.49 0.00 0.00 0.00 179.25 181.94 1mwb h GLU 89 N 0.98 1.07 -0.91 0.00 4.57 -0.70 -1.74 114.58 117.85 1mwb h GLU 89 Ca 0.21 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1mwb h GLU 89 Cb 0.30 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1mwb h GLU 89 CO -0.01 0.71 0.53 -0.44 -1.18 0.00 0.00 179.01 178.62 1mwb h ASP 90 N 1.10 1.10 -0.90 1.04 3.32 -1.22 -2.30 116.42 118.56 1mwb h ASP 90 Ca 0.32 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1mwb h ASP 90 Cb -0.07 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.16 1mwb h ASP 90 CO -0.08 0.86 0.56 0.25 -1.72 0.00 0.00 179.24 179.11 1mwb h LEU 91 N 1.26 1.06 -1.13 1.55 5.85 -1.20 -2.26 115.31 120.44 1mwb h LEU 91 Ca 0.32 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1mwb h LEU 91 Cb -0.03 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1mwb h LEU 91 CO -0.06 0.80 0.28 -0.07 -0.34 0.00 0.00 178.44 179.05 1mwb h LEU 92 N 1.23 0.81 -0.89 2.25 3.38 -1.16 -2.58 115.31 118.35 1mwb h LEU 92 Ca 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1mwb h LEU 92 Cb -0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1mwb h LEU 92 CO -0.06 0.70 0.51 0.00 0.09 0.00 0.00 178.44 179.68 1mwb h ALA 93 N 1.42 1.13 -0.76 1.53 0.00 -1.11 -2.36 119.26 119.12 1mwb h ALA 93 Ca 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1mwb h ALA 93 Cb 0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1mwb h ALA 93 CO -0.03 0.62 0.42 1.15 0.00 0.00 0.00 179.25 181.41 1mwb h THR 94 N 1.23 1.23 -0.80 0.00 2.02 -1.29 -2.56 112.91 112.73 1mwb h THR 94 Ca 0.32 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 1mwb h THR 94 Cb -0.01 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 1mwb h THR 94 CO -0.06 0.25 0.32 -0.07 0.37 0.00 0.00 175.52 176.33 1mwb h LEU 95 N 1.04 1.11 -0.88 2.58 3.38 -1.31 -2.77 115.31 118.46 1mwb h LEU 95 Ca 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1mwb h LEU 95 Cb 0.03 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1mwb h LEU 95 CO -0.04 0.98 0.42 0.11 0.09 0.00 0.00 178.44 179.99 1mwb h LYS 96 N 1.17 1.22 -0.72 1.13 1.57 -1.08 -2.52 116.57 117.34 1mwb h LYS 96 Ca 0.27 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1mwb h LYS 96 Cb 0.22 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1mwb h LYS 96 CO -0.02 0.93 0.25 0.93 -0.57 0.00 0.00 179.45 180.97 1mwb h GLU 97 N 1.21 1.10 -0.11 3.15 5.08 -1.21 -2.25 114.58 121.55 1mwb h GLU 97 Ca 0.29 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1mwb h GLU 97 Cb 0.11 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1mwb h GLU 97 CO -0.04 0.92 -0.17 0.52 -1.00 0.00 0.00 179.01 179.24 1mwb h MET 98 N 1.06 0.18 0.00 2.33 2.86 -1.21 -3.46 114.93 116.68 1mwb h MET 98 Ca 0.24 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1mwb h MET 98 Cb 0.26 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1mwb h MET 98 CO -0.01 0.35 0.00 0.41 1.06 0.00 0.00 176.91 178.72 1mwb n GLY 99 N -0.84 0.98 3.75 8.32 0.00 -0.85 -5.06 105.19 111.50 1mwb n GLY 99 Ca -0.01 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 2.05 0.40 1.61 1.01 -1.15 -4.89 120.40 117.44 1mwb s VAL 100 Ca 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1mwb s VAL 100 Cb 0.00 -3.03 -0.12 0.00 0.00 0.00 0.00 36.38 33.23 1mwb s VAL 100 CO 0.00 0.01 0.80 -0.81 0.00 0.00 0.00 175.10 175.10 1mwb n PRO 101 N 1.92 0.96 0.08 2.72 -0.04 -1.26 -4.83 135.00 134.55 1mwb n PRO 101 Ca 0.07 0.35 0.03 0.00 -0.04 0.00 0.00 63.50 63.91 1mwb n PRO 101 Cb 0.38 -1.76 0.42 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.23 0.35 -0.81 0.54 5.08 -1.99 -2.57 114.58 116.40 1mwb h GLU 102 Ca -0.42 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 57.98 1mwb h GLU 102 Cb 1.37 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1mwb h GLU 102 CO 0.55 0.35 0.47 0.22 -1.00 0.00 0.00 179.01 179.60 1mwb h ASP 103 N 0.35 0.68 -0.22 1.42 3.58 -2.01 -1.46 116.42 118.76 1mwb h ASP 103 Ca 0.08 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.45 1mwb h ASP 103 Cb 0.17 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 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 0.80 0.77 -0.95 2.28 3.38 -1.82 -2.95 115.31 116.82 1mwb h LEU 104 Ca 0.39 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1mwb h LEU 104 Cb 0.33 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1mwb h LEU 104 CO -0.24 1.03 0.59 0.40 0.09 0.00 0.00 178.44 180.32 1mwb h ILE 105 N 0.62 0.98 -0.37 1.22 2.04 -1.17 0.72 117.51 121.55 1mwb h ILE 105 Ca 0.07 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1mwb h ILE 105 Cb 0.86 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1mwb h ILE 105 CO 0.07 0.18 0.07 0.00 0.00 0.00 0.00 178.15 178.47 1mwb h ALA 106 N 1.48 0.49 -0.42 1.87 0.00 -1.31 0.25 119.26 121.63 1mwb h ALA 106 Ca 0.45 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1mwb h ALA 106 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1mwb h ALA 106 CO -0.23 0.19 -0.24 0.93 0.00 0.00 0.00 179.25 179.91 1mwb h GLU 107 N 0.45 0.90 -0.40 0.00 5.08 -1.13 -0.95 114.58 118.54 1mwb h GLU 107 Ca 0.11 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 1mwb h GLU 107 Cb 0.35 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1mwb h GLU 107 CO 0.01 1.06 -0.04 0.28 -1.00 0.00 0.00 179.01 179.31 1mwb h VAL 108 N 0.73 1.27 -0.26 3.13 2.07 0.52 -2.86 116.25 120.85 1mwb h VAL 108 Ca 0.09 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1mwb h VAL 108 Cb 0.81 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1mwb h VAL 108 CO 0.07 0.37 -0.16 0.00 0.02 0.00 0.00 177.57 177.86 1mwb h ALA 109 N 0.86 1.25 -0.43 1.67 0.00 -0.45 -2.62 119.26 119.53 1mwb h ALA 109 Ca 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1mwb h ALA 109 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1mwb h ALA 109 CO 0.03 0.49 0.16 0.00 0.00 0.00 0.00 179.25 179.93 1mwb h ALA 110 N 1.43 1.47 -0.15 0.00 0.00 -0.95 0.22 119.26 121.27 1mwb h ALA 110 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 110 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1mwb h ALA 110 CO 0.03 0.40 0.09 0.28 0.00 0.00 0.00 179.25 180.05 1mwb h VAL 111 N 0.61 1.09 0.00 0.00 2.07 -1.25 -2.62 116.25 116.14 1mwb h VAL 111 Ca 0.15 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1mwb h VAL 111 Cb 0.15 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1mwb h VAL 111 CO -0.01 0.08 -0.44 0.00 0.02 0.00 0.00 177.57 177.22 1mwb h ALA 112 N 0.99 0.94 0.00 1.67 0.00 -1.49 -2.97 119.26 118.40 1mwb h ALA 112 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1mwb h ALA 112 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1mwb h ALA 112 CO -0.01 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1mwb n GLY 113 N 0.36 -0.61 3.43 0.00 0.00 0.04 -4.83 105.19 103.57 1mwb n GLY 113 Ca -0.00 0.00 -0.50 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 n ALA 114 N -0.47 0.88 -0.05 4.61 0.00 -1.12 -4.81 120.51 119.56 1mwb n ALA 114 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1mwb n ALA 114 Cb 0.01 -2.51 0.27 0.00 0.00 0.00 0.00 19.45 17.22 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 12.41 0.63 -0.61 0.00 0.11 -1.91 -2.61 132.00 140.01 1mwb h PRO 115 Ca -0.23 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1mwb h PRO 115 Cb 1.33 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1mwb h PRO 115 CO 1.07 0.61 0.15 0.00 -0.21 0.00 0.00 178.00 179.62 1mwb h ALA 116 N 1.46 1.13 -0.73 -0.75 0.00 -1.99 -2.62 119.26 115.76 1mwb h ALA 116 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 116 Cb 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1mwb h ALA 116 CO 0.00 0.59 0.42 1.25 0.00 0.00 0.00 179.25 181.52 1mwb h HIS 117 N 0.90 0.97 -0.64 0.00 6.17 -1.85 -2.07 115.15 118.63 1mwb h HIS 117 Ca 0.20 -0.01 0.11 0.00 0.71 0.00 0.00 60.37 61.38 1mwb h HIS 117 Cb 0.31 -0.32 -0.04 0.00 2.52 0.00 0.00 27.41 29.88 1mwb h HIS 117 CO 0.02 0.66 0.43 0.87 0.71 0.00 0.00 177.93 180.62 1mwb h LYS 118 N 1.02 0.42 -0.89 5.26 1.57 -1.39 -1.08 116.57 121.48 1mwb h LYS 118 Ca 0.26 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.13 1mwb h LYS 118 Cb -0.01 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.12 1mwb h LYS 118 CO -0.05 0.28 0.53 -0.09 -0.57 0.00 0.00 179.45 179.55 1mwb h ARG 119 N 0.44 0.82 -0.40 3.15 2.43 -1.41 0.61 114.38 120.02 1mwb h ARG 119 Ca 0.30 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.28 1mwb h ARG 119 Cb 0.59 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1mwb h ARG 119 CO -0.09 0.54 -0.31 0.22 -1.51 0.00 0.00 179.97 178.83 1mwb h ASP 120 N 0.85 0.92 0.00 -3.80 3.58 -1.31 -1.92 116.42 114.73 1mwb h ASP 120 Ca 0.44 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1mwb h ASP 120 Cb 0.44 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1mwb h ASP 120 CO -0.27 1.15 0.00 0.52 -2.88 0.00 0.00 179.24 177.76 1mwb n VAL 121 N -4.08 0.00 -0.09 2.25 0.31 -0.50 -4.46 118.33 111.77 1mwb n VAL 121 Ca -0.01 0.47 -0.01 0.00 -0.01 0.00 0.00 64.34 64.77 1mwb n VAL 121 Cb 0.50 -1.42 0.24 0.00 -0.91 0.00 0.00 33.84 32.25 1mwb n VAL 121 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1mwb h LEU 122 N 0.00 0.67 -1.54 7.52 3.38 -0.02 -3.37 115.31 121.94 1mwb h LEU 122 Ca 0.00 -0.11 -0.39 0.00 0.09 0.00 0.00 57.88 57.47 1mwb h LEU 122 Cb 0.00 -0.17 0.10 0.00 0.09 0.00 0.00 40.66 40.68 1mwb h LEU 122 CO 0.00 0.67 -0.78 0.59 0.09 0.00 0.00 178.44 179.01 1mwb n ASN 123 N -4.29 -2.47 0.00 -0.43 3.02 -0.72 -4.92 115.26 105.44 1mwb n ASN 123 Ca 0.03 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1mwb n ASN 123 Cb 0.21 -4.57 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64