#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 1.07 -0.89 0.44 2.02 -2.07 -1.88 112.91 111.60 1mwb h THR 3 Ca 0.00 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.02 1mwb h THR 3 Cb 0.00 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 66.74 1mwb h THR 3 CO 0.00 0.12 0.58 -0.07 0.37 0.00 0.00 175.52 176.52 1mwb h LEU 4 N 0.63 0.90 -1.50 2.58 -0.00 -2.05 -0.87 115.31 115.00 1mwb h LEU 4 Ca 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.06 1mwb h LEU 4 Cb 0.07 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 1mwb h LEU 4 CO -0.05 0.58 -0.06 1.88 -0.00 0.00 0.00 178.44 180.79 1mwb h TYR 5 N 1.02 0.26 0.17 1.13 0.05 -1.75 -1.60 116.97 116.26 1mwb h TYR 5 Ca 0.38 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.13 1mwb h TYR 5 Cb 0.18 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1mwb h TYR 5 CO -0.00 0.32 -0.08 1.49 -1.05 0.00 0.00 178.16 178.84 1mwb h GLU 6 N 0.25 -0.22 0.04 4.88 4.81 -1.17 2.23 114.58 125.41 1mwb h GLU 6 Ca 0.06 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1mwb h GLU 6 Cb 0.27 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1mwb h GLU 6 CO 0.01 -0.12 -0.02 -0.22 -0.73 0.00 0.00 179.01 177.93 1mwb h LYS 7 N -0.26 -0.06 -0.31 1.92 3.64 -1.48 -3.28 116.57 116.74 1mwb h LYS 7 Ca -0.02 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1mwb h LYS 7 Cb 0.20 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1mwb h LYS 7 CO 0.04 0.42 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.12 1mwb h LEU 8 N -0.56 0.88 0.00 5.20 -0.00 -1.32 -3.47 115.31 116.04 1mwb h LEU 8 Ca -0.01 -0.43 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1mwb h LEU 8 Cb 0.50 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1mwb h LEU 8 CO 0.01 1.20 0.00 0.61 -0.00 0.00 0.00 178.44 180.26 1mwb n GLY 9 N 0.18 0.92 1.10 0.83 0.00 0.75 -4.90 105.19 104.07 1mwb n GLY 9 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 -2.11 3.90 -0.02 0.00 -1.21 -4.56 105.19 99.18 1mwb n GLY 10 Ca 0.00 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 1mwb n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mwb s THR 11 N -2.44 2.00 0.12 2.61 -4.23 -1.26 -4.83 115.64 107.61 1mwb s THR 11 Ca 0.00 -0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.63 1mwb s THR 11 Cb 0.00 -3.00 0.13 0.00 1.34 0.00 0.00 72.50 70.97 1mwb s THR 11 CO 0.00 0.00 1.28 0.71 -0.54 0.00 0.00 174.62 176.07 1mwb h THR 12 N -1.07 0.00 -0.16 3.99 1.35 -2.00 0.26 112.91 115.28 1mwb h THR 12 Ca -0.46 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.37 1mwb h THR 12 Cb 1.33 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 1mwb h THR 12 CO 0.65 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.91 1mwb h ALA 13 N 1.04 0.22 -0.50 6.62 0.00 -1.95 -1.90 119.26 122.79 1mwb h ALA 13 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1mwb h ALA 13 Cb 0.74 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1mwb h ALA 13 CO 0.00 -0.07 0.06 0.28 0.00 0.00 0.00 179.25 179.52 1mwb h VAL 14 N 0.02 1.25 -0.80 0.00 2.07 -0.80 -2.33 116.25 115.67 1mwb h VAL 14 Ca 0.04 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1mwb h VAL 14 Cb 0.39 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1mwb h VAL 14 CO 0.01 0.34 0.47 0.44 0.02 0.00 0.00 177.57 178.85 1mwb h ASP 15 N 0.71 0.97 -0.46 0.57 3.32 -1.52 -2.49 116.42 117.52 1mwb h ASP 15 Ca 0.15 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1mwb h ASP 15 Cb 0.43 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1mwb h ASP 15 CO 0.01 0.76 0.02 -0.07 -1.72 0.00 0.00 179.24 178.24 1mwb h LEU 16 N 1.10 0.83 -0.20 1.55 3.38 -1.19 0.22 115.31 120.99 1mwb h LEU 16 Ca 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1mwb h LEU 16 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1mwb h LEU 16 CO -0.05 0.88 0.13 0.00 0.09 0.00 0.00 178.44 179.49 1mwb h ALA 17 N 1.21 0.26 -0.14 1.53 0.00 -0.98 -2.28 119.26 118.85 1mwb h ALA 17 Ca 0.16 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 17 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1mwb h ALA 17 CO 0.02 -0.26 -0.71 0.28 0.00 0.00 0.00 179.25 178.57 1mwb h VAL 18 N 0.27 1.32 -0.26 0.00 2.07 -1.37 -3.07 116.25 115.21 1mwb h VAL 18 Ca 0.07 -1.99 0.04 0.00 0.82 0.00 0.00 66.70 65.65 1mwb h VAL 18 Cb -0.03 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1mwb h VAL 18 CO -0.02 0.62 0.04 0.44 0.02 0.00 0.00 177.57 178.68 1mwb h ASP 19 N 0.45 -0.01 -0.45 0.57 3.32 -0.77 0.12 116.42 119.64 1mwb h ASP 19 Ca -0.03 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1mwb h ASP 19 Cb 1.31 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.90 1mwb h ASP 19 CO 0.14 0.03 0.11 0.11 -1.72 0.00 0.00 179.24 177.91 1mwb h LYS 20 N 0.14 0.73 -0.88 3.56 6.56 -1.49 -2.78 116.57 122.41 1mwb h LYS 20 Ca 0.12 -0.18 0.01 0.00 -1.06 0.00 0.00 60.65 59.54 1mwb h LYS 20 Cb 0.13 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 31.65 1mwb h LYS 20 CO -0.17 0.72 0.57 0.35 -2.06 0.00 0.00 179.45 178.87 1mwb h PHE 21 N 0.61 1.11 -0.78 -1.35 3.57 -1.37 -2.33 116.94 116.38 1mwb h PHE 21 Ca 0.14 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1mwb h PHE 21 Cb 0.32 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1mwb h PHE 21 CO 0.02 0.71 0.49 -0.92 -2.23 0.00 0.00 178.31 176.38 1mwb h TYR 22 N 1.19 0.92 -0.47 0.41 3.20 -0.78 -2.32 116.97 119.12 1mwb h TYR 22 Ca 0.32 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.12 1mwb h TYR 22 Cb -0.12 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.83 1mwb h TYR 22 CO -0.01 0.52 -0.07 0.93 -1.64 0.00 0.00 178.16 177.89 1mwb h GLU 23 N 0.95 0.84 -0.78 1.82 5.08 -1.17 -2.99 114.58 118.32 1mwb h GLU 23 Ca 0.32 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1mwb h GLU 23 Cb 0.04 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1mwb h GLU 23 CO -0.12 0.88 0.41 0.00 -1.00 0.00 0.00 179.01 179.18 1mwb h ARG 24 N 0.76 1.09 0.07 2.33 3.08 -0.92 0.24 114.38 121.04 1mwb h ARG 24 Ca 0.13 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mwb h ARG 24 Cb 0.56 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1mwb h ARG 24 CO 0.03 0.82 -0.03 0.28 -1.07 0.00 0.00 179.97 180.00 1mwb h VAL 25 N 1.10 1.05 -0.39 2.04 2.07 -1.34 -0.38 116.25 120.39 1mwb h VAL 25 Ca 0.27 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 67.27 1mwb h VAL 25 Cb 0.06 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1mwb h VAL 25 CO -0.04 0.10 -0.23 -0.07 0.02 0.00 0.00 177.57 177.35 1mwb h LEU 26 N -0.28 0.80 -1.42 2.57 3.38 -1.45 -2.81 115.31 116.11 1mwb h LEU 26 Ca -0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1mwb h LEU 26 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1mwb h LEU 26 CO 0.02 1.00 0.13 -0.61 0.09 0.00 0.00 178.44 179.07 1mwb h GLN 27 N 0.68 0.52 -6.24 1.13 4.15 -0.40 -3.39 115.11 111.56 1mwb h GLN 27 Ca 0.09 -0.07 -0.53 0.00 0.77 0.00 0.00 58.65 58.92 1mwb h GLN 27 Cb 0.75 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.28 1mwb h GLN 27 CO 0.06 0.45 1.16 0.34 -1.93 0.00 0.00 178.83 178.91 1mwb s ASP 28 N -6.71 5.87 0.42 -0.69 2.15 -0.16 -4.85 116.67 112.69 1mwb s ASP 28 Ca -0.08 -0.08 0.10 0.00 0.43 0.00 0.00 52.55 52.92 1mwb s ASP 28 Cb 0.16 -2.55 0.92 0.00 -0.30 0.00 0.00 42.92 41.15 1mwb s ASP 28 CO 0.75 -1.99 2.02 -0.78 -0.17 0.00 0.00 175.17 174.99 1mwb h ASP 29 N 11.79 0.27 -0.85 -0.34 3.58 -1.84 0.22 116.42 129.25 1mwb h ASP 29 Ca -0.27 -0.03 0.11 0.00 0.42 0.00 0.00 57.03 57.26 1mwb h ASP 29 Cb 1.09 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.99 1mwb h ASP 29 CO 1.24 0.29 0.49 -0.09 -2.88 0.00 0.00 179.24 178.29 1mwb h ARG 30 N 0.30 0.76 -0.01 0.28 2.43 -1.94 -2.67 114.38 113.53 1mwb h ARG 30 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1mwb h ARG 30 Cb 0.13 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1mwb h ARG 30 CO -0.00 0.50 -0.20 0.44 -1.51 0.00 0.00 179.97 179.20 1mwb n ILE 31 N -4.75 0.00 -0.10 1.20 -5.35 -1.08 -4.52 119.36 104.77 1mwb n ILE 31 Ca 0.15 -0.40 0.10 0.00 -0.27 0.00 0.00 62.75 62.33 1mwb n ILE 31 Cb 0.32 1.21 0.46 0.00 -1.74 0.00 0.00 39.64 39.89 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 1.97 0.49 -0.86 6.28 3.64 -0.59 -0.66 116.57 126.84 1mwb h LYS 32 Ca 0.00 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.49 1mwb h LYS 32 Cb 0.52 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.16 1mwb h LYS 32 CO 0.00 0.32 0.56 1.12 -2.27 0.00 0.00 179.45 179.18 1mwb h HIS 33 N 0.50 0.78 -0.55 1.91 2.07 -1.79 1.09 115.15 119.15 1mwb h HIS 33 Ca 0.28 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.76 1mwb h HIS 33 Cb 0.43 -0.25 -0.02 0.00 2.57 0.00 0.00 27.41 30.14 1mwb h HIS 33 CO -0.00 0.30 0.10 0.74 -3.07 0.00 0.00 177.93 176.00 1mwb h PHE 34 N 0.67 0.92 -0.66 6.12 0.04 -1.44 -2.49 116.94 120.10 1mwb h PHE 34 Ca 0.43 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1mwb h PHE 34 Cb 0.69 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1mwb h PHE 34 CO -0.00 0.78 0.00 1.19 -0.60 0.00 0.00 178.31 179.68 1mwb n PHE 35 N -4.25 1.62 -0.30 -0.55 3.72 0.11 -4.53 117.46 113.28 1mwb n PHE 35 Ca 0.04 -0.63 0.11 0.00 -0.05 0.00 0.00 57.45 56.92 1mwb n PHE 35 Cb 0.26 -0.29 0.34 0.00 -0.94 0.00 0.00 39.48 38.85 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 4.18 1.75 -2.63 4.37 0.00 0.15 -3.32 119.26 123.76 1mwb h ALA 36 Ca 0.00 0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.34 1mwb h ALA 36 Cb 1.55 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.81 1mwb h ALA 36 CO 0.28 -0.00 -0.85 -0.51 0.00 0.00 0.00 179.25 178.17 1mwb s ASP 37 N -5.73 2.88 -0.02 0.00 1.01 -1.26 -5.08 116.67 108.48 1mwb s ASP 37 Ca -0.10 -2.42 -0.01 0.00 0.71 0.00 0.00 52.55 50.72 1mwb s ASP 37 Cb 0.22 -0.53 0.01 0.00 1.01 0.00 0.00 42.92 43.63 1mwb s ASP 37 CO 0.79 -0.28 0.04 -0.69 0.21 0.00 0.00 175.17 175.25 1mwb s VAL 38 N 0.76 -0.01 0.54 -1.27 1.01 -1.25 -5.15 120.40 115.03 1mwb s VAL 38 Ca 0.20 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 1mwb s VAL 38 Cb -0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 36.38 36.06 1mwb s VAL 38 CO -0.03 0.01 1.04 1.51 0.00 0.00 0.00 175.10 177.63 1mwb s ASP 39 N 0.14 6.13 0.44 3.32 1.47 -1.26 -4.94 116.67 121.97 1mwb s ASP 39 Ca -0.01 1.81 0.12 0.00 1.18 0.00 0.00 52.55 55.65 1mwb s ASP 39 Cb -0.02 -2.54 0.96 0.00 -0.34 0.00 0.00 42.92 40.98 1mwb s ASP 39 CO -0.00 -0.93 2.01 0.24 0.68 0.00 0.00 175.17 177.17 1mwb h MET 40 N 0.93 0.18 0.20 2.11 2.86 -2.01 -3.08 114.93 116.11 1mwb h MET 40 Ca -0.48 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.15 1mwb h MET 40 Cb 1.21 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.81 1mwb h MET 40 CO 0.59 0.24 -0.38 0.00 1.06 0.00 0.00 176.91 178.42 1mwb h ALA 41 N 1.78 -0.71 -0.55 6.32 0.00 -2.01 -1.22 119.26 122.87 1mwb h ALA 41 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 41 Cb 0.21 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1mwb h ALA 41 CO 0.01 -0.96 0.28 0.87 0.00 0.00 0.00 179.25 179.45 1mwb h LYS 42 N -0.66 0.77 -0.68 0.00 1.57 -1.94 -2.43 116.57 113.19 1mwb h LYS 42 Ca 0.01 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1mwb h LYS 42 Cb 0.66 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1mwb h LYS 42 CO -0.17 0.59 0.43 1.96 -0.57 0.00 0.00 179.45 181.68 1mwb h GLN 43 N 0.77 0.83 -1.00 3.15 1.08 -1.33 0.41 115.11 119.03 1mwb h GLN 43 Ca 0.19 -0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.44 1mwb h GLN 43 Cb 0.06 -0.19 -0.08 0.00 -0.05 0.00 0.00 27.48 27.22 1mwb h GLN 43 CO -0.03 0.55 0.63 -0.09 -0.95 0.00 0.00 178.83 178.95 1mwb h ARG 44 N 0.86 1.03 0.00 1.46 2.43 -0.73 0.31 114.38 119.73 1mwb h ARG 44 Ca 0.27 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1mwb h ARG 44 Cb -0.02 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1mwb h ARG 44 CO -0.09 0.68 -0.02 0.00 -1.51 0.00 0.00 179.97 179.03 1mwb h ALA 45 N 1.50 0.00 -0.11 2.80 0.00 -1.29 -2.93 119.26 119.24 1mwb h ALA 45 Ca 0.47 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1mwb h ALA 45 Cb 0.35 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1mwb h ALA 45 CO -0.23 0.02 0.06 1.25 0.00 0.00 0.00 179.25 180.35 1mwb h HIS 46 N -1.00 0.12 -0.59 0.00 -0.00 -0.09 0.14 115.15 113.72 1mwb h HIS 46 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1mwb h HIS 46 Cb 0.75 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.10 1mwb h HIS 46 CO 0.20 0.07 0.28 1.96 -0.00 0.00 0.00 177.93 180.44 1mwb h GLN 47 N 0.13 0.86 -0.68 5.26 1.08 -0.56 -1.32 115.11 119.87 1mwb h GLN 47 Ca 0.04 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.05 1mwb h GLN 47 Cb -0.01 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.24 1mwb h GLN 47 CO -0.02 0.70 0.21 -0.22 -0.95 0.00 0.00 178.83 178.55 1mwb h LYS 48 N 0.81 1.07 -0.77 1.46 3.64 -1.31 -2.51 116.57 118.95 1mwb h LYS 48 Ca 0.20 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1mwb h LYS 48 Cb 0.13 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1mwb h LYS 48 CO -0.02 0.93 0.32 0.00 -2.27 0.00 0.00 179.45 178.40 1mwb h ALA 49 N 1.09 1.10 -0.39 5.00 0.00 -0.40 -1.62 119.26 124.03 1mwb h ALA 49 Ca 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1mwb h ALA 49 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1mwb h ALA 49 CO -0.01 0.65 0.23 0.35 0.00 0.00 0.00 179.25 180.48 1mwb h PHE 50 N 1.12 0.52 -0.68 0.00 3.57 -0.95 -0.66 116.94 119.87 1mwb h PHE 50 Ca 0.26 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1mwb h PHE 50 Cb 0.20 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1mwb h PHE 50 CO 0.02 0.37 0.32 1.25 -2.23 0.00 0.00 178.31 178.04 1mwb h LEU 51 N 0.51 0.90 -0.67 0.59 6.46 -1.18 -1.14 115.31 120.79 1mwb h LEU 51 Ca 0.14 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1mwb h LEU 51 Cb 0.01 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 1mwb h LEU 51 CO -0.03 0.79 0.36 0.74 -0.62 0.00 0.00 178.44 179.69 1mwb h THR 52 N 0.95 1.21 -0.67 1.05 2.02 -0.94 0.64 112.91 117.17 1mwb h THR 52 Ca 0.23 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 1mwb h THR 52 Cb 0.14 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1mwb h THR 52 CO -0.03 0.23 0.17 0.22 0.37 0.00 0.00 175.52 176.48 1mwb h TYR 53 N 0.91 1.12 -0.28 3.16 3.20 -0.76 -1.07 116.97 123.25 1mwb h TYR 53 Ca 0.23 -0.13 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 1mwb h TYR 53 Cb 0.04 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 37.99 1mwb h TYR 53 CO -0.01 0.92 -0.28 0.00 -1.64 0.00 0.00 178.16 177.15 1mwb h ALA 54 N 1.07 0.41 0.00 1.82 0.00 -0.87 2.26 119.26 123.95 1mwb h ALA 54 Ca 0.21 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1mwb h ALA 54 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1mwb h ALA 54 CO 0.00 0.42 -0.35 0.74 0.00 0.00 0.00 179.25 180.05 1mwb h PHE 55 N 0.41 0.00 0.00 0.00 -1.00 -0.78 -3.40 116.94 112.17 1mwb h PHE 55 Ca 0.04 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.66 1mwb h PHE 55 Cb 0.85 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 40.28 1mwb h PHE 55 CO 0.07 0.35 -0.16 0.41 -1.61 0.00 0.00 178.31 177.38 1mwb n GLY 56 N -0.47 -0.64 3.75 -1.45 0.00 -0.41 -5.03 105.19 100.93 1mwb n GLY 56 Ca -0.02 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.69 2.99 0.49 -0.02 0.00 0.76 -4.73 107.32 106.11 1mwb s GLY 57 Ca 0.22 0.83 -0.07 0.00 0.00 0.00 0.00 44.72 45.70 1mwb s GLY 57 CO -0.14 1.52 0.81 -0.51 0.00 0.00 0.00 173.10 174.79 1mwb s THR 58 N -0.80 4.87 0.22 0.90 -4.23 -1.26 -4.96 115.64 110.37 1mwb s THR 58 Ca 0.46 0.35 0.05 0.00 -1.18 0.00 0.00 61.69 61.37 1mwb s THR 58 Cb -0.30 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.66 1mwb s THR 58 CO 0.37 -0.83 0.28 1.51 -0.54 0.00 0.00 174.62 175.41 1mwb s ASP 59 N -3.96 6.02 -1.08 3.99 1.47 -1.26 -4.63 116.67 117.21 1mwb s ASP 59 Ca 0.49 -0.02 -0.09 0.00 1.18 0.00 0.00 52.55 54.11 1mwb s ASP 59 Cb -0.10 -1.70 -0.05 0.00 -0.34 0.00 0.00 42.92 40.73 1mwb s ASP 59 CO 0.44 -0.03 0.89 1.17 0.68 0.00 0.00 175.17 178.32 1mwb n LYS 60 N -1.09 -2.26 -3.11 2.11 4.81 -1.26 -4.95 118.16 112.41 1mwb n LYS 60 Ca -0.08 0.77 -0.39 0.00 -0.87 0.00 0.00 58.31 57.74 1mwb n LYS 60 Cb 0.56 -5.46 -0.05 0.00 0.02 0.00 0.00 35.03 30.11 1mwb n LYS 60 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1mwb s TYR 61 N -3.41 3.58 -0.21 5.64 5.04 -1.26 -5.04 117.35 121.69 1mwb s TYR 61 Ca 0.44 1.19 -0.19 0.00 -2.44 0.00 0.00 57.07 56.07 1mwb s TYR 61 Cb -0.08 -2.74 -0.03 0.00 0.35 0.00 0.00 41.96 39.46 1mwb s TYR 61 CO 0.77 0.14 0.56 0.16 -1.34 0.00 0.00 175.55 175.83 1mwb s ASP 62 N 0.62 6.58 0.00 4.32 1.47 -1.26 -4.93 116.67 123.47 1mwb s ASP 62 Ca 0.35 0.70 0.00 0.00 1.18 0.00 0.00 52.55 54.78 1mwb s ASP 62 Cb -0.17 -2.31 0.00 0.00 -0.34 0.00 0.00 42.92 40.10 1mwb s ASP 62 CO 0.17 -0.24 0.00 0.61 0.68 0.00 0.00 175.17 176.39 1mwb n GLY 63 N 3.95 -0.91 0.32 2.12 0.00 -1.26 -5.01 105.19 104.39 1mwb n GLY 63 Ca -0.03 0.75 0.15 0.00 0.00 0.00 0.00 46.02 46.88 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 -0.69 1.61 3.08 -2.01 -0.59 114.38 115.78 1mwb h ARG 64 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1mwb h ARG 64 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1mwb h ARG 64 CO 0.00 0.00 0.46 -0.92 -1.07 0.00 0.00 179.97 178.44 1mwb h TYR 65 N 0.00 0.86 -0.60 3.04 3.20 -1.97 0.31 116.97 121.81 1mwb h TYR 65 Ca 0.08 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1mwb h TYR 65 Cb 0.37 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1mwb h TYR 65 CO 0.00 0.54 0.36 0.52 -1.64 0.00 0.00 178.16 177.94 1mwb h MET 66 N 0.93 0.69 0.16 1.82 2.86 -1.50 -0.91 114.93 118.98 1mwb h MET 66 Ca 0.26 -0.04 -0.34 0.00 -2.06 0.00 0.00 59.70 57.52 1mwb h MET 66 Cb -0.09 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.41 1mwb h MET 66 CO -0.06 0.46 -1.69 0.07 1.06 0.00 0.00 176.91 176.75 1mwb h ARG 67 N 0.71 0.33 -0.95 1.72 0.11 -1.58 -3.06 114.38 111.67 1mwb h ARG 67 Ca 0.24 -0.57 0.11 0.00 0.10 0.00 0.00 59.98 59.86 1mwb h ARG 67 Cb 0.04 0.21 -0.07 0.00 1.11 0.00 0.00 29.97 31.26 1mwb h ARG 67 CO -0.11 1.23 0.61 1.49 0.10 0.00 0.00 179.97 183.29 1mwb h GLU 68 N 0.09 0.92 0.23 0.08 4.57 -0.30 0.62 114.58 120.80 1mwb h GLU 68 Ca -0.31 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 57.80 1mwb h GLU 68 Cb 2.07 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 30.45 1mwb h GLU 68 CO 0.17 0.61 -0.11 0.00 -1.18 0.00 0.00 179.01 178.50 1mwb h ALA 69 N 1.54 -0.32 -0.97 2.92 0.00 -1.29 -3.04 119.26 118.11 1mwb h ALA 69 Ca 0.45 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.34 1mwb h ALA 69 Cb 0.43 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1mwb h ALA 69 CO -0.21 -0.29 0.63 0.45 0.00 0.00 0.00 179.25 179.83 1mwb h HIS 70 N -1.04 1.17 -0.59 0.00 3.86 -1.43 -1.71 115.15 115.42 1mwb h HIS 70 Ca -0.03 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1mwb h HIS 70 Cb 0.23 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1mwb h HIS 70 CO 0.00 0.65 0.23 1.57 0.86 0.00 0.00 177.93 181.25 1mwb h LYS 71 N 1.19 0.86 -0.90 2.45 2.10 0.17 -1.37 116.57 121.08 1mwb h LYS 71 Ca 0.40 -0.13 0.14 0.00 -2.00 0.00 0.00 60.65 59.06 1mwb h LYS 71 Cb 0.07 -0.15 -0.07 0.00 -0.90 0.00 0.00 32.23 31.18 1mwb h LYS 71 CO -0.14 0.71 0.58 1.49 -2.00 0.00 0.00 179.45 180.09 1mwb h GLU 72 N 0.85 0.68 -0.32 0.07 4.81 -1.18 0.25 114.58 119.74 1mwb h GLU 72 Ca 0.20 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1mwb h GLU 72 Cb 0.17 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1mwb h GLU 72 CO -0.02 0.45 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.56 1mwb h LEU 73 N 0.71 0.51 -0.37 1.64 3.38 -1.16 -0.92 115.31 119.09 1mwb h LEU 73 Ca 0.45 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1mwb h LEU 73 Cb 0.71 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1mwb h LEU 73 CO -0.21 0.64 0.13 0.58 0.09 0.00 0.00 178.44 179.67 1mwb h VAL 74 N 0.49 1.21 -0.01 1.22 2.07 -0.35 0.55 116.25 121.44 1mwb h VAL 74 Ca 0.10 -0.66 -0.25 0.00 0.82 0.00 0.00 66.70 66.70 1mwb h VAL 74 Cb 0.46 0.94 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1mwb h VAL 74 CO 0.02 0.23 -0.99 -0.33 0.02 0.00 0.00 177.57 176.52 1mwb h GLU 75 N 0.45 0.61 0.09 1.57 5.08 -1.31 -1.13 114.58 119.94 1mwb h GLU 75 Ca 0.12 -0.64 -0.19 0.00 -1.00 0.00 0.00 59.36 57.65 1mwb h GLU 75 Cb 0.24 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1mwb h GLU 75 CO -0.01 1.25 -0.94 -0.91 -1.00 0.00 0.00 179.01 177.41 1mwb h ASN 76 N 0.35 0.30 0.01 1.42 2.35 -1.14 -3.39 115.58 115.47 1mwb h ASN 76 Ca -0.11 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.77 1mwb h ASN 76 Cb 1.64 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.91 1mwb h ASN 76 CO 0.19 1.42 -1.22 1.41 -1.65 0.00 0.00 177.43 177.57 1mwb n HIS 77 N -4.17 0.00 -2.50 1.19 8.25 0.19 -4.99 115.22 113.18 1mwb n HIS 77 Ca -0.19 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.24 1mwb n HIS 77 Cb 0.77 -0.12 0.01 0.00 1.12 0.00 0.00 29.99 31.77 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 1.44 0.70 3.72 -1.41 0.00 -0.43 -4.98 105.19 104.24 1mwb n GLY 78 Ca 0.02 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.46 4.40 0.39 0.99 2.96 -1.19 -4.96 118.68 119.82 1mwb s LEU 79 Ca 0.05 2.24 0.04 0.00 -0.22 0.00 0.00 54.13 56.24 1mwb s LEU 79 Cb -0.02 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 1mwb s LEU 79 CO 0.06 -0.52 0.13 0.54 -1.32 0.00 0.00 176.35 175.24 1mwb s ASN 80 N 0.72 2.67 0.48 3.68 4.22 -1.26 -4.56 114.94 120.89 1mwb s ASN 80 Ca 0.59 -1.65 0.18 0.00 -2.14 0.00 0.00 52.86 49.84 1mwb s ASN 80 Cb -0.34 0.45 1.19 0.00 1.28 0.00 0.00 41.25 43.84 1mwb s ASN 80 CO 0.33 -0.91 2.02 1.23 -2.04 0.00 0.00 177.10 177.73 1mwb h GLY 81 N 1.84 0.28 0.96 0.45 0.00 -1.98 -1.13 103.07 103.50 1mwb h GLY 81 Ca -0.35 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 46.92 1mwb h GLY 81 CO 0.57 0.05 0.62 0.83 0.00 0.00 0.00 176.54 178.62 1mwb h GLU 82 N 0.20 1.17 -0.27 4.80 5.08 -1.99 -0.11 114.58 123.46 1mwb h GLU 82 Ca 0.22 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1mwb h GLU 82 Cb 0.60 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1mwb h GLU 82 CO -0.04 0.78 0.08 0.45 -1.00 0.00 0.00 179.01 179.28 1mwb h HIS 83 N 1.21 0.44 -0.75 4.33 3.86 -1.61 -2.66 115.15 119.97 1mwb h HIS 83 Ca 0.37 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.54 1mwb h HIS 83 Cb -0.02 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 1mwb h HIS 83 CO -0.00 0.48 0.50 0.35 0.86 0.00 0.00 177.93 180.11 1mwb h PHE 84 N 0.28 0.95 -0.91 2.45 3.57 -1.31 -2.07 116.94 119.90 1mwb h PHE 84 Ca 0.09 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1mwb h PHE 84 Cb 0.24 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1mwb h PHE 84 CO 0.01 0.60 0.59 -0.44 -2.23 0.00 0.00 178.31 176.83 1mwb h ASP 85 N 1.02 0.87 -0.56 0.41 3.32 -0.85 0.15 116.42 120.78 1mwb h ASP 85 Ca 0.28 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 1mwb h ASP 85 Cb -0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1mwb h ASP 85 CO -0.06 0.53 0.18 0.00 -1.72 0.00 0.00 179.24 178.17 1mwb h ALA 86 N 1.53 0.73 -0.24 3.45 0.00 -1.03 0.55 119.26 124.24 1mwb h ALA 86 Ca 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1mwb h ALA 86 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1mwb h ALA 86 CO -0.17 0.39 0.01 0.28 0.00 0.00 0.00 179.25 179.77 1mwb h VAL 87 N 0.78 1.25 -0.40 0.00 2.07 -0.96 -1.58 116.25 117.41 1mwb h VAL 87 Ca 0.18 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 1mwb h VAL 87 Cb 0.28 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1mwb h VAL 87 CO -0.01 0.27 -0.11 0.00 0.02 0.00 0.00 177.57 177.75 1mwb h ALA 88 N 0.82 0.55 -0.76 1.67 0.00 -0.87 -2.91 119.26 117.75 1mwb h ALA 88 Ca 0.07 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1mwb h ALA 88 Cb 0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1mwb h ALA 88 CO 0.01 0.43 0.51 1.49 0.00 0.00 0.00 179.25 181.68 1mwb h GLU 89 N 0.58 0.97 -0.97 0.00 4.81 0.16 -1.66 114.58 118.48 1mwb h GLU 89 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1mwb h GLU 89 Cb 0.63 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 1mwb h GLU 89 CO 0.04 0.64 0.62 -0.44 -0.73 0.00 0.00 179.01 179.14 1mwb h ASP 90 N 1.00 1.13 -0.82 1.04 3.32 -1.10 -2.22 116.42 118.78 1mwb h ASP 90 Ca 0.29 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1mwb h ASP 90 Cb -0.06 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.17 1mwb h ASP 90 CO -0.07 0.84 0.43 0.25 -1.72 0.00 0.00 179.24 178.96 1mwb h LEU 91 N 1.32 1.04 -0.88 1.55 5.85 -1.18 -2.56 115.31 120.46 1mwb h LEU 91 Ca 0.35 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1mwb h LEU 91 Cb -0.12 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.60 1mwb h LEU 91 CO -0.07 0.86 0.58 -0.07 -0.34 0.00 0.00 178.44 179.39 1mwb h LEU 92 N 1.15 1.00 -0.94 2.25 3.38 -1.15 -2.23 115.31 118.76 1mwb h LEU 92 Ca 0.29 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1mwb h LEU 92 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1mwb h LEU 92 CO -0.04 0.72 0.26 0.00 0.09 0.00 0.00 178.44 179.47 1mwb h ALA 93 N 1.32 1.16 -0.56 1.53 0.00 -1.16 -2.78 119.26 118.77 1mwb h ALA 93 Ca 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1mwb h ALA 93 Cb -0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 1mwb h ALA 93 CO -0.07 0.60 0.36 1.15 0.00 0.00 0.00 179.25 181.29 1mwb h THR 94 N 1.01 1.15 -0.66 0.00 2.02 -1.04 -2.39 112.91 113.00 1mwb h THR 94 Ca 0.23 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1mwb h THR 94 Cb 0.21 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1mwb h THR 94 CO -0.02 0.15 0.43 -0.07 0.37 0.00 0.00 175.52 176.39 1mwb h LEU 95 N 0.76 0.75 -0.95 2.58 3.38 -1.22 -1.82 115.31 118.80 1mwb h LEU 95 Ca 0.20 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1mwb h LEU 95 Cb -0.06 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 1mwb h LEU 95 CO -0.04 0.54 0.62 0.11 0.09 0.00 0.00 178.44 179.76 1mwb h LYS 96 N 0.88 1.16 -0.45 1.13 1.57 -1.24 -1.59 116.57 118.04 1mwb h LYS 96 Ca 0.24 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1mwb h LYS 96 Cb -0.10 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 31.93 1mwb h LYS 96 CO -0.05 0.77 -0.13 1.49 -0.57 0.00 0.00 179.45 180.95 1mwb h GLU 97 N 1.20 0.85 -0.09 3.15 4.57 -1.22 -2.62 114.58 120.42 1mwb h GLU 97 Ca 0.38 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1mwb h GLU 97 Cb -0.01 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1mwb h GLU 97 CO -0.12 0.93 0.02 0.52 -1.18 0.00 0.00 179.01 179.19 1mwb h MET 98 N 0.76 0.12 0.00 1.92 2.86 -0.81 -3.46 114.93 116.32 1mwb h MET 98 Ca 0.12 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1mwb h MET 98 Cb 0.65 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1mwb h MET 98 CO 0.05 0.12 0.00 0.41 1.06 0.00 0.00 176.91 178.54 1mwb n GLY 99 N -1.43 0.94 3.75 8.32 0.00 -0.85 -5.07 105.19 110.85 1mwb n GLY 99 Ca -0.02 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 2.92 0.45 1.61 1.01 -1.16 -4.94 120.40 118.30 1mwb s VAL 100 Ca 0.00 0.80 -0.22 0.00 0.00 0.00 0.00 61.98 62.56 1mwb s VAL 100 Cb 0.00 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 1mwb s VAL 100 CO 0.00 0.14 0.74 -0.81 0.00 0.00 0.00 175.10 175.17 1mwb n PRO 101 N 2.11 0.86 0.14 2.72 -0.04 -1.26 -4.78 135.00 134.75 1mwb n PRO 101 Ca 0.05 0.32 0.03 0.00 -0.04 0.00 0.00 63.50 63.85 1mwb n PRO 101 Cb 0.42 -1.77 0.42 0.00 -0.04 0.00 0.00 33.50 32.52 1mwb n PRO 101 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1mwb h GLU 102 N 0.97 0.19 -0.80 0.54 -0.00 -1.98 -2.70 114.58 110.79 1mwb h GLU 102 Ca -0.43 -0.04 0.07 0.00 -0.00 0.00 0.00 59.36 58.96 1mwb h GLU 102 Cb 1.37 -0.03 -0.06 0.00 -0.00 0.00 0.00 28.75 30.03 1mwb h GLU 102 CO 0.53 0.33 0.47 -0.44 -0.00 0.00 0.00 179.01 179.90 1mwb h ASP 103 N 0.18 0.72 -0.12 3.06 3.32 -2.02 -1.53 116.42 120.04 1mwb h ASP 103 Ca 0.04 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1mwb h ASP 103 Cb 0.35 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1mwb h ASP 103 CO 0.02 0.45 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.59 1mwb h LEU 104 N 0.85 0.64 -0.92 1.55 3.38 -1.84 -2.95 115.31 116.01 1mwb h LEU 104 Ca 0.36 -0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.21 1mwb h LEU 104 Cb 0.23 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 1mwb h LEU 104 CO -0.20 0.92 0.54 0.40 0.09 0.00 0.00 178.44 180.20 1mwb h ILE 105 N 0.52 0.83 -0.41 1.22 2.04 -1.18 0.83 117.51 121.36 1mwb h ILE 105 Ca 0.06 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1mwb h ILE 105 Cb 0.82 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1mwb h ILE 105 CO 0.07 0.15 0.08 0.00 0.00 0.00 0.00 178.15 178.45 1mwb h ALA 106 N 1.54 0.54 -0.53 1.87 0.00 -1.34 0.14 119.26 121.49 1mwb h ALA 106 Ca 0.48 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1mwb h ALA 106 Cb 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1mwb h ALA 106 CO -0.31 0.24 -0.14 0.93 0.00 0.00 0.00 179.25 179.97 1mwb h GLU 107 N 0.53 1.03 -0.69 0.00 5.08 -1.00 -2.00 114.58 117.53 1mwb h GLU 107 Ca 0.13 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1mwb h GLU 107 Cb 0.35 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1mwb h GLU 107 CO 0.01 1.09 0.17 0.28 -1.00 0.00 0.00 179.01 179.55 1mwb h VAL 108 N 0.90 1.26 -0.26 3.13 2.07 0.75 -2.42 116.25 121.69 1mwb h VAL 108 Ca 0.13 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1mwb h VAL 108 Cb 0.72 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1mwb h VAL 108 CO 0.05 0.37 -0.11 0.00 0.02 0.00 0.00 177.57 177.90 1mwb h ALA 109 N 1.08 1.33 -0.03 1.67 0.00 -0.81 -2.36 119.26 120.13 1mwb h ALA 109 Ca 0.22 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1mwb h ALA 109 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1mwb h ALA 109 CO 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 179.25 179.49 1mwb h ALA 110 N 1.49 1.59 -0.43 0.00 0.00 -0.87 2.19 119.26 123.22 1mwb h ALA 110 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 110 Cb 0.44 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1mwb h ALA 110 CO 0.02 0.31 0.19 0.28 0.00 0.00 0.00 179.25 180.05 1mwb h VAL 111 N 0.05 0.93 0.00 0.00 2.07 -1.17 -3.06 116.25 115.07 1mwb h VAL 111 Ca 0.01 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1mwb h VAL 111 Cb 0.41 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1mwb h VAL 111 CO 0.03 0.07 -1.96 0.00 0.02 0.00 0.00 177.57 175.73 1mwb n ALA 112 N -2.32 2.70 0.07 1.67 0.00 -1.09 -4.27 120.51 117.26 1mwb n ALA 112 Ca 0.03 -0.53 0.05 0.00 0.00 0.00 0.00 53.44 52.98 1mwb n ALA 112 Cb 0.13 -0.68 0.24 0.00 0.00 0.00 0.00 19.45 19.14 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 1.36 -0.63 3.42 0.00 0.00 0.74 -4.68 105.19 105.39 1mwb n GLY 113 Ca -0.05 0.08 -0.51 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.60 0.88 0.28 4.61 0.00 -1.18 -4.79 120.51 118.71 1mwb n ALA 114 Ca -0.01 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1mwb n ALA 114 Cb 0.04 -2.48 0.79 0.00 0.00 0.00 0.00 19.45 17.81 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 12.06 0.00 -0.41 0.00 0.11 -1.94 -2.47 132.00 139.34 1mwb h PRO 115 Ca -0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 1mwb h PRO 115 Cb 1.34 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 1mwb h PRO 115 CO 1.06 0.04 0.22 0.00 -0.21 0.00 0.00 178.00 179.11 1mwb h ALA 116 N 1.96 0.52 -0.77 -0.75 0.00 -1.95 -1.98 119.26 116.29 1mwb h ALA 116 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mwb h ALA 116 Cb 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1mwb h ALA 116 CO 0.01 0.05 0.47 0.45 0.00 0.00 0.00 179.25 180.23 1mwb h HIS 117 N 0.53 1.00 -0.18 0.00 3.86 -1.80 -1.82 115.15 116.74 1mwb h HIS 117 Ca 0.14 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1mwb h HIS 117 Cb 0.05 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 1mwb h HIS 117 CO -0.02 0.66 0.10 0.87 0.86 0.00 0.00 177.93 180.40 1mwb h LYS 118 N 1.05 0.24 -0.72 2.45 1.57 -1.40 -2.32 116.57 117.43 1mwb h LYS 118 Ca 0.28 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.13 1mwb h LYS 118 Cb -0.05 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.13 1mwb h LYS 118 CO -0.05 0.17 0.37 -0.09 -0.57 0.00 0.00 179.45 179.28 1mwb h ARG 119 N 0.24 0.61 -0.16 3.15 2.43 -0.58 0.24 114.38 120.32 1mwb h ARG 119 Ca 0.06 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1mwb h ARG 119 Cb 0.00 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1mwb h ARG 119 CO -0.01 0.41 -0.36 0.38 -1.51 0.00 0.00 179.97 178.87 1mwb h ASP 120 N 0.63 0.34 0.33 -3.80 3.04 -1.47 1.21 116.42 116.71 1mwb h ASP 120 Ca 0.35 -0.13 -0.02 0.00 -3.24 0.00 0.00 57.03 53.99 1mwb h ASP 120 Cb 0.36 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.56 1mwb h ASP 120 CO -0.26 0.68 -0.16 0.58 -2.04 0.00 0.00 179.24 178.04 1mwb h VAL 121 N 0.28 0.61 -0.03 4.15 2.07 -0.92 -3.30 116.25 119.10 1mwb h VAL 121 Ca 0.03 -0.64 -0.23 0.00 0.82 0.00 0.00 66.70 66.69 1mwb h VAL 121 Cb 0.77 0.90 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1mwb h VAL 121 CO 0.06 0.11 -0.91 -0.07 0.02 0.00 0.00 177.57 176.78 1mwb h LEU 122 N -0.84 0.66 -1.20 2.57 3.38 -0.61 -3.31 115.31 115.96 1mwb h LEU 122 Ca -0.05 -0.50 -0.39 0.00 0.09 0.00 0.00 57.88 57.03 1mwb h LEU 122 Cb 0.52 -0.20 0.11 0.00 0.09 0.00 0.00 40.66 41.19 1mwb h LEU 122 CO 0.07 1.29 -0.73 0.59 0.09 0.00 0.00 178.44 179.75 1mwb n ASN 123 N -3.81 -4.36 0.00 -0.43 3.02 0.42 -4.86 115.26 105.23 1mwb n ASN 123 Ca -0.07 -0.63 0.04 0.00 -0.03 0.00 0.00 54.58 53.89 1mwb n ASN 123 Cb 0.81 -4.77 0.25 0.00 -0.61 0.00 0.00 39.78 35.46 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64