#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 0.92 -0.54 6.66 1.35 -2.07 -2.67 112.91 116.56 1mwb h THR 3 Ca 0.00 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1mwb h THR 3 Cb 0.00 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 1mwb h THR 3 CO 0.00 0.28 0.36 -0.07 -0.25 0.00 0.00 175.52 175.83 1mwb h LEU 4 N 0.00 0.63 -1.31 3.87 3.38 -2.04 -1.49 115.31 118.34 1mwb h LEU 4 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1mwb h LEU 4 Cb 0.62 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1mwb h LEU 4 CO 0.04 0.46 0.14 1.88 0.09 0.00 0.00 178.44 181.05 1mwb h TYR 5 N 0.74 0.62 -0.65 1.13 0.05 -1.85 -2.15 116.97 114.85 1mwb h TYR 5 Ca 0.20 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 1mwb h TYR 5 Cb -0.08 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 1mwb h TYR 5 CO 0.00 0.50 0.28 0.93 -1.05 0.00 0.00 178.16 178.82 1mwb h GLU 6 N 0.61 0.95 -0.35 4.88 5.08 -1.37 1.28 114.58 125.66 1mwb h GLU 6 Ca 0.15 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1mwb h GLU 6 Cb 0.17 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1mwb h GLU 6 CO -0.01 0.76 0.16 0.87 -1.00 0.00 0.00 179.01 179.79 1mwb h LYS 7 N 0.94 0.49 -0.09 2.33 1.57 -1.32 0.51 116.57 121.00 1mwb h LYS 7 Ca 0.22 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1mwb h LYS 7 Cb 0.16 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1mwb h LYS 7 CO -0.02 0.39 0.00 1.28 -0.57 0.00 0.00 179.45 180.53 1mwb n LEU 8 N -4.41 0.79 0.00 2.94 4.77 -0.70 -4.83 117.00 115.55 1mwb n LEU 8 Ca 0.02 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1mwb n LEU 8 Cb 0.12 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1mwb n LEU 8 CO 0.36 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1mwb n GLY 9 N 0.92 0.82 0.00 -0.72 0.00 0.17 -4.62 105.19 101.75 1mwb n GLY 9 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.32 1.10 0.34 -0.02 0.00 0.43 -4.44 105.19 100.28 1mwb n GLY 10 Ca 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.27 1mwb n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1mwb h THR 11 N 0.00 1.02 -0.90 2.61 2.02 -1.92 -2.30 112.91 113.43 1mwb h THR 11 Ca 0.00 -0.20 0.23 0.00 0.77 0.00 0.00 66.41 67.21 1mwb h THR 11 Cb 0.00 0.37 -0.13 0.00 -1.74 0.00 0.00 68.15 66.65 1mwb h THR 11 CO 0.00 0.11 0.37 0.00 0.37 0.00 0.00 175.52 176.37 1mwb h THR 12 N 0.59 0.43 0.06 3.16 1.03 -1.94 -0.26 112.91 115.99 1mwb h THR 12 Ca 0.25 -0.12 -0.26 0.00 -0.01 0.00 0.00 66.41 66.27 1mwb h THR 12 Cb 0.22 0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 67.33 1mwb h THR 12 CO -0.07 0.06 -1.27 0.00 -0.01 0.00 0.00 175.52 174.24 1mwb h ALA 13 N 1.73 0.33 -0.63 0.00 0.00 -1.63 -3.35 119.26 115.71 1mwb h ALA 13 Ca 0.57 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1mwb h ALA 13 Cb 1.11 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1mwb h ALA 13 CO -0.56 1.20 0.40 0.28 0.00 0.00 0.00 179.25 180.57 1mwb h VAL 14 N 0.03 1.17 -0.30 0.00 2.07 -0.89 -2.42 116.25 115.92 1mwb h VAL 14 Ca -0.13 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1mwb h VAL 14 Cb 1.90 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1mwb h VAL 14 CO 0.15 0.17 0.05 -2.24 0.02 0.00 0.00 177.57 175.72 1mwb h ASP 15 N 0.85 0.40 -0.76 0.57 3.04 -1.48 -1.62 116.42 117.42 1mwb h ASP 15 Ca 0.23 -0.05 0.01 0.00 -3.24 0.00 0.00 57.03 53.98 1mwb h ASP 15 Cb -0.06 -0.10 -0.04 0.00 -1.04 0.00 0.00 39.33 38.09 1mwb h ASP 15 CO -0.05 0.43 0.50 -0.07 -2.04 0.00 0.00 179.24 178.01 1mwb h LEU 16 N 0.43 0.85 -0.30 0.15 3.38 -1.56 0.20 115.31 118.45 1mwb h LEU 16 Ca 0.10 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1mwb h LEU 16 Cb 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1mwb h LEU 16 CO 0.00 0.61 -0.44 0.00 0.09 0.00 0.00 178.44 178.69 1mwb h ALA 17 N 1.29 0.46 -0.38 1.53 0.00 -1.31 -2.51 119.26 118.34 1mwb h ALA 17 Ca 0.28 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1mwb h ALA 17 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1mwb h ALA 17 CO -0.07 0.60 0.10 0.28 0.00 0.00 0.00 179.25 180.15 1mwb h VAL 18 N 0.60 1.22 -0.11 0.00 2.07 -0.89 0.22 116.25 119.37 1mwb h VAL 18 Ca 0.03 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1mwb h VAL 18 Cb 1.04 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1mwb h VAL 18 CO 0.10 0.26 0.06 -0.78 0.02 0.00 0.00 177.57 177.23 1mwb h ASP 19 N 0.47 0.13 -0.27 0.57 3.58 -0.64 0.16 116.42 120.42 1mwb h ASP 19 Ca 0.12 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1mwb h ASP 19 Cb 0.29 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1mwb h ASP 19 CO 0.00 0.17 0.07 0.11 -2.88 0.00 0.00 179.24 176.71 1mwb h LYS 20 N 0.09 0.42 -0.84 0.28 1.57 -1.38 -2.63 116.57 114.08 1mwb h LYS 20 Ca 0.04 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1mwb h LYS 20 Cb 0.07 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1mwb h LYS 20 CO -0.01 0.51 0.56 0.35 -0.57 0.00 0.00 179.45 180.29 1mwb h PHE 21 N 0.26 1.05 -0.73 -1.35 3.57 -0.43 -2.57 116.94 116.74 1mwb h PHE 21 Ca 0.08 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1mwb h PHE 21 Cb 0.27 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1mwb h PHE 21 CO 0.01 0.66 0.48 -0.92 -2.23 0.00 0.00 178.31 176.31 1mwb h TYR 22 N 1.13 0.92 -0.74 0.41 3.20 -0.53 -2.63 116.97 118.72 1mwb h TYR 22 Ca 0.31 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.15 1mwb h TYR 22 Cb -0.12 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 37.81 1mwb h TYR 22 CO -0.01 0.58 0.27 0.93 -1.64 0.00 0.00 178.16 178.29 1mwb h GLU 23 N 0.99 1.12 -0.62 1.82 5.08 -1.10 -2.63 114.58 119.24 1mwb h GLU 23 Ca 0.27 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1mwb h GLU 23 Cb -0.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 28.93 1mwb h GLU 23 CO -0.06 0.93 0.41 0.00 -1.00 0.00 0.00 179.01 179.29 1mwb h ARG 24 N 1.09 0.77 -0.26 2.33 3.08 -1.13 -0.70 114.38 119.56 1mwb h ARG 24 Ca 0.25 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1mwb h ARG 24 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1mwb h ARG 24 CO -0.02 0.51 0.12 0.28 -1.07 0.00 0.00 179.97 179.80 1mwb h VAL 25 N 0.80 1.15 -0.54 2.04 2.07 -1.28 -0.67 116.25 119.82 1mwb h VAL 25 Ca 0.24 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 1mwb h VAL 25 Cb -0.02 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1mwb h VAL 25 CO -0.06 0.16 -0.09 -0.07 0.02 0.00 0.00 177.57 177.53 1mwb h LEU 26 N 0.28 1.02 -1.46 2.57 3.38 -1.38 -2.84 115.31 116.88 1mwb h LEU 26 Ca 0.09 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1mwb h LEU 26 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1mwb h LEU 26 CO -0.01 1.12 -0.04 1.56 0.09 0.00 0.00 178.44 181.16 1mwb h GLN 27 N 0.89 0.30 -6.31 1.13 4.20 -0.96 -3.39 115.11 110.97 1mwb h GLN 27 Ca 0.14 -0.05 -0.53 0.00 0.06 0.00 0.00 58.65 58.26 1mwb h GLN 27 Cb 0.66 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.32 1mwb h GLN 27 CO 0.05 0.36 1.12 0.34 -0.67 0.00 0.00 178.83 180.02 1mwb s ASP 28 N -6.85 6.01 0.42 1.46 2.15 -0.27 -4.85 116.67 114.74 1mwb s ASP 28 Ca -0.06 -0.14 0.11 0.00 0.43 0.00 0.00 52.55 52.89 1mwb s ASP 28 Cb 0.16 -2.55 0.90 0.00 -0.30 0.00 0.00 42.92 41.13 1mwb s ASP 28 CO 0.73 -1.89 1.98 -0.78 -0.17 0.00 0.00 175.17 175.04 1mwb h ASP 29 N 11.08 0.17 -0.99 -0.34 3.58 -1.83 -0.24 116.42 127.85 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 1.08 -0.04 -0.08 0.00 1.72 0.00 0.00 39.33 42.00 1mwb h ASP 29 CO 1.24 0.28 0.63 0.03 -2.88 0.00 0.00 179.24 178.54 1mwb h ARG 30 N 0.18 0.93 -0.01 0.28 3.08 -1.93 -2.65 114.38 114.27 1mwb h ARG 30 Ca 0.04 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1mwb h ARG 30 Cb 0.27 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1mwb h ARG 30 CO 0.01 0.62 -0.17 0.44 -1.07 0.00 0.00 179.97 179.80 1mwb n ILE 31 N -4.61 0.00 -0.10 2.04 -5.35 -1.09 -4.55 119.36 105.70 1mwb n ILE 31 Ca 0.19 -0.42 0.07 0.00 -0.27 0.00 0.00 62.75 62.32 1mwb n ILE 31 Cb 0.37 1.16 0.41 0.00 -1.74 0.00 0.00 39.64 39.84 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 1.55 0.59 -0.86 6.28 3.64 -0.66 -1.33 116.57 125.79 1mwb h LYS 32 Ca 0.00 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.46 1mwb h LYS 32 Cb 0.41 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1mwb h LYS 32 CO 0.00 0.39 0.55 1.12 -2.27 0.00 0.00 179.45 179.24 1mwb h HIS 33 N 0.61 0.83 -0.58 1.91 2.07 -1.80 0.32 115.15 118.51 1mwb h HIS 33 Ca 0.26 0.02 -0.05 0.00 -2.85 0.00 0.00 60.37 57.75 1mwb h HIS 33 Cb 0.24 -0.27 -0.03 0.00 2.57 0.00 0.00 27.41 29.93 1mwb h HIS 33 CO -0.00 0.35 0.16 0.74 -3.07 0.00 0.00 177.93 176.11 1mwb h PHE 34 N 0.74 0.90 -0.57 6.12 0.04 -1.57 -2.32 116.94 120.29 1mwb h PHE 34 Ca 0.41 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 61.10 1mwb h PHE 34 Cb 0.56 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1mwb h PHE 34 CO -0.00 0.74 0.00 1.19 -0.60 0.00 0.00 178.31 179.63 1mwb n PHE 35 N -4.28 1.32 -0.35 -0.55 3.72 0.44 -4.48 117.46 113.28 1mwb n PHE 35 Ca 0.04 -0.52 0.06 0.00 -0.05 0.00 0.00 57.45 56.98 1mwb n PHE 35 Cb 0.22 -0.23 0.22 0.00 -0.94 0.00 0.00 39.48 38.75 1mwb n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mwb h ALA 36 N 3.95 1.43 -2.54 4.37 0.00 0.08 -3.34 119.26 123.22 1mwb h ALA 36 Ca 0.00 0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.35 1mwb h ALA 36 Cb 1.31 -0.19 -0.39 0.00 0.00 0.00 0.00 17.79 18.52 1mwb h ALA 36 CO 0.21 0.19 -0.87 -0.51 0.00 0.00 0.00 179.25 178.27 1mwb s ASP 37 N -5.66 2.67 -0.05 0.00 1.01 -1.26 -5.09 116.67 108.28 1mwb s ASP 37 Ca -0.12 -2.34 -0.04 0.00 0.71 0.00 0.00 52.55 50.76 1mwb s ASP 37 Cb 0.22 -0.40 0.02 0.00 1.01 0.00 0.00 42.92 43.77 1mwb s ASP 37 CO 0.80 -0.28 0.13 -0.69 0.21 0.00 0.00 175.17 175.33 1mwb s VAL 38 N 0.90 -0.01 0.38 -1.27 1.01 -1.26 -5.14 120.40 115.01 1mwb s VAL 38 Ca 0.21 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 1mwb s VAL 38 Cb -0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 36.38 35.92 1mwb s VAL 38 CO -0.03 0.01 1.18 1.51 0.00 0.00 0.00 175.10 177.77 1mwb s ASP 39 N 0.28 6.61 0.44 3.32 1.47 -1.26 -4.92 116.67 122.61 1mwb s ASP 39 Ca -0.02 2.37 0.10 0.00 1.18 0.00 0.00 52.55 56.18 1mwb s ASP 39 Cb -0.03 -2.62 0.98 0.00 -0.34 0.00 0.00 42.92 40.91 1mwb s ASP 39 CO -0.01 -0.61 2.08 0.24 0.68 0.00 0.00 175.17 177.55 1mwb h MET 40 N 2.81 0.37 0.11 2.11 2.86 -2.01 -2.86 114.93 118.33 1mwb h MET 40 Ca -0.49 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.15 1mwb h MET 40 Cb 1.23 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 1mwb h MET 40 CO 0.63 0.25 -0.25 0.00 1.06 0.00 0.00 176.91 178.60 1mwb h ALA 41 N 1.82 -0.42 -0.45 6.32 0.00 -2.01 -1.60 119.26 122.93 1mwb h ALA 41 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1mwb h ALA 41 Cb -0.04 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1mwb h ALA 41 CO -0.02 -0.78 0.12 0.87 0.00 0.00 0.00 179.25 179.43 1mwb h LYS 42 N -0.45 0.66 -0.87 0.00 1.79 -1.92 -2.60 116.57 113.18 1mwb h LYS 42 Ca 0.03 -0.12 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1mwb h LYS 42 Cb 0.48 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 1mwb h LYS 42 CO -0.15 0.60 0.56 1.96 -1.08 0.00 0.00 179.45 181.34 1mwb h GLN 43 N 0.65 1.06 -0.89 3.15 1.08 -1.18 -0.35 115.11 118.63 1mwb h GLN 43 Ca 0.15 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 1mwb h GLN 43 Cb 0.23 -0.24 -0.06 0.00 -0.05 0.00 0.00 27.48 27.36 1mwb h GLN 43 CO -0.00 0.70 0.56 -0.09 -0.95 0.00 0.00 178.83 179.05 1mwb h ARG 44 N 1.09 1.00 -0.12 1.46 2.43 -0.91 0.87 114.38 120.21 1mwb h ARG 44 Ca 0.35 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1mwb h ARG 44 Cb 0.01 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1mwb h ARG 44 CO -0.12 0.66 -0.23 0.00 -1.51 0.00 0.00 179.97 178.78 1mwb h ALA 45 N 1.41 0.19 -0.01 2.80 0.00 -1.33 -1.58 119.26 120.74 1mwb h ALA 45 Ca 0.38 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mwb h ALA 45 Cb 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1mwb h ALA 45 CO -0.16 0.15 0.01 1.25 0.00 0.00 0.00 179.25 180.49 1mwb h HIS 46 N -0.06 0.01 -0.68 0.00 -0.00 -0.74 0.67 115.15 114.35 1mwb h HIS 46 Ca 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 1mwb h HIS 46 Cb 0.81 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.19 1mwb h HIS 46 CO 0.10 0.09 0.29 1.96 -0.00 0.00 0.00 177.93 180.37 1mwb h GLN 47 N -0.06 1.01 -0.60 5.26 1.08 -0.92 -0.77 115.11 120.10 1mwb h GLN 47 Ca 0.00 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 1mwb h GLN 47 Cb 0.08 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 1mwb h GLN 47 CO -0.00 0.83 0.25 -0.22 -0.95 0.00 0.00 178.83 178.74 1mwb h LYS 48 N 0.96 0.89 -0.62 1.46 3.64 -1.10 -1.95 116.57 119.87 1mwb h LYS 48 Ca 0.23 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1mwb h LYS 48 Cb 0.18 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1mwb h LYS 48 CO -0.02 0.75 0.03 0.00 -2.27 0.00 0.00 179.45 177.94 1mwb h ALA 49 N 1.09 0.88 -0.09 5.00 0.00 -0.57 -1.74 119.26 123.83 1mwb h ALA 49 Ca 0.20 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mwb h ALA 49 Cb 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1mwb h ALA 49 CO -0.02 0.66 0.05 0.35 0.00 0.00 0.00 179.25 180.30 1mwb h PHE 50 N 0.98 0.13 -0.79 0.00 3.57 -0.87 -1.14 116.94 118.82 1mwb h PHE 50 Ca 0.18 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1mwb h PHE 50 Cb 0.52 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1mwb h PHE 50 CO 0.04 0.15 0.44 1.25 -2.23 0.00 0.00 178.31 177.96 1mwb h LEU 51 N 0.07 0.97 -0.60 0.59 6.46 -1.27 -1.59 115.31 119.94 1mwb h LEU 51 Ca 0.03 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1mwb h LEU 51 Cb 0.07 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 1mwb h LEU 51 CO -0.01 0.78 0.35 0.74 -0.62 0.00 0.00 178.44 179.68 1mwb h THR 52 N 1.09 1.18 -0.72 1.05 2.02 -1.05 -0.76 112.91 115.71 1mwb h THR 52 Ca 0.28 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1mwb h THR 52 Cb 0.01 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1mwb h THR 52 CO -0.05 0.19 0.22 0.22 0.37 0.00 0.00 175.52 176.47 1mwb h TYR 53 N 0.81 1.17 -0.38 3.16 3.20 -0.85 -1.59 116.97 122.48 1mwb h TYR 53 Ca 0.21 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1mwb h TYR 53 Cb -0.00 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 1mwb h TYR 53 CO -0.02 0.93 -0.03 0.00 -1.64 0.00 0.00 178.16 177.41 1mwb h ALA 54 N 1.11 0.52 -0.45 1.82 0.00 -0.95 2.17 119.26 123.47 1mwb h ALA 54 Ca 0.23 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1mwb h ALA 54 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1mwb h ALA 54 CO -0.01 0.32 -0.01 0.74 0.00 0.00 0.00 179.25 180.29 1mwb h PHE 55 N 0.51 0.80 0.00 0.00 -1.00 -1.02 -3.40 116.94 112.84 1mwb h PHE 55 Ca 0.10 -0.11 -0.20 0.00 2.81 0.00 0.00 57.97 60.58 1mwb h PHE 55 Cb 0.52 -0.22 -0.14 0.00 3.61 0.00 0.00 35.95 39.72 1mwb h PHE 55 CO 0.04 0.75 -0.35 0.41 -1.61 0.00 0.00 178.31 177.56 1mwb n GLY 56 N -0.65 -0.13 3.94 -1.45 0.00 -0.61 -5.01 105.19 101.28 1mwb n GLY 56 Ca 0.02 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.17 1.78 0.18 -0.02 0.00 0.73 -4.75 107.32 104.07 1mwb s GLY 57 Ca 0.26 -1.24 0.09 0.00 0.00 0.00 0.00 44.72 43.83 1mwb s GLY 57 CO -0.14 -0.48 -0.19 -0.51 0.00 0.00 0.00 173.10 171.77 1mwb s THR 58 N -3.83 1.96 0.19 0.90 -4.23 -1.26 -5.01 115.64 104.36 1mwb s THR 58 Ca 0.73 -1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 58.98 1mwb s THR 58 Cb -0.04 -1.94 -0.08 0.00 1.34 0.00 0.00 72.50 71.78 1mwb s THR 58 CO 0.52 -0.29 0.86 -1.81 -0.54 0.00 0.00 174.62 173.35 1mwb s ASP 59 N -2.75 7.50 -0.73 3.99 1.01 -1.26 -4.28 116.67 120.15 1mwb s ASP 59 Ca 0.18 1.78 -0.01 0.00 0.71 0.00 0.00 52.55 55.21 1mwb s ASP 59 Cb -0.06 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1mwb s ASP 59 CO 0.08 0.17 0.69 1.17 0.21 0.00 0.00 175.17 177.48 1mwb n LYS 60 N 1.64 -1.40 -2.02 8.23 4.81 -1.26 -4.89 118.16 123.27 1mwb n LYS 60 Ca -0.04 1.46 -0.42 0.00 -0.87 0.00 0.00 58.31 58.44 1mwb n LYS 60 Cb 0.48 -5.41 -0.03 0.00 0.02 0.00 0.00 35.03 30.09 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 -2.97 3.10 0.42 5.64 5.04 -1.26 -4.99 117.35 122.34 1mwb s TYR 61 Ca 0.01 0.82 -0.21 0.00 -2.44 0.00 0.00 57.07 55.25 1mwb s TYR 61 Cb -0.00 -3.83 -0.11 0.00 0.35 0.00 0.00 41.96 38.37 1mwb s TYR 61 CO 0.77 -2.94 0.95 0.16 -1.34 0.00 0.00 175.55 173.15 1mwb s ASP 62 N 0.92 6.95 0.00 4.32 1.47 -1.26 -4.80 116.67 124.27 1mwb s ASP 62 Ca 0.66 1.69 0.00 0.00 1.18 0.00 0.00 52.55 56.08 1mwb s ASP 62 Cb -0.41 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.63 1mwb s ASP 62 CO 0.34 -0.35 0.00 0.61 0.68 0.00 0.00 175.17 176.45 1mwb n GLY 63 N -0.59 0.79 0.33 2.12 0.00 -1.26 -4.95 105.19 101.62 1mwb n GLY 63 Ca 0.07 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.82 1.61 3.08 -2.02 -1.70 114.38 114.53 1mwb h ARG 64 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 1mwb h ARG 64 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 1mwb h ARG 64 CO 0.00 0.00 0.31 -0.92 -1.07 0.00 0.00 179.97 178.29 1mwb h TYR 65 N 0.00 0.51 -0.90 3.04 5.03 -1.99 0.18 116.97 122.85 1mwb h TYR 65 Ca 0.00 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1mwb h TYR 65 Cb 0.71 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.85 1mwb h TYR 65 CO 0.00 -0.03 0.50 0.52 -1.32 0.00 0.00 178.16 177.83 1mwb h MET 66 N 0.38 1.24 -0.91 1.82 0.00 -1.68 -2.40 114.93 113.38 1mwb h MET 66 Ca 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 59.70 60.04 1mwb h MET 66 Cb 0.85 -0.25 -0.04 0.00 0.00 0.00 0.00 31.60 32.16 1mwb h MET 66 CO -0.50 0.90 0.55 -0.09 0.00 0.00 0.00 176.91 177.78 1mwb h ARG 67 N 1.25 1.24 -0.79 1.72 2.43 -0.84 -1.43 114.38 117.95 1mwb h ARG 67 Ca 0.32 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1mwb h ARG 67 Cb 0.01 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.27 1mwb h ARG 67 CO -0.05 0.86 0.33 1.49 -1.51 0.00 0.00 179.97 181.10 1mwb h GLU 68 N 1.25 1.18 0.37 0.20 4.81 -0.82 -0.18 114.58 121.39 1mwb h GLU 68 Ca 0.33 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1mwb h GLU 68 Cb -0.05 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.13 1mwb h GLU 68 CO -0.06 0.94 -0.18 0.00 -0.73 0.00 0.00 179.01 178.98 1mwb h ALA 69 N 1.18 -0.50 -0.87 2.92 0.00 -1.16 -3.11 119.26 117.71 1mwb h ALA 69 Ca 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1mwb h ALA 69 Cb 0.19 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1mwb h ALA 69 CO -0.02 -0.48 0.50 0.45 0.00 0.00 0.00 179.25 179.69 1mwb h HIS 70 N -1.09 1.18 -0.67 0.00 3.86 -1.33 -2.34 115.15 114.76 1mwb h HIS 70 Ca -0.05 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1mwb h HIS 70 Cb 0.44 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1mwb h HIS 70 CO 0.01 0.80 0.41 1.57 0.86 0.00 0.00 177.93 181.58 1mwb h LYS 71 N 1.22 0.90 -0.86 2.45 2.10 -1.15 -0.83 116.57 120.40 1mwb h LYS 71 Ca 0.31 -0.07 0.05 0.00 -2.00 0.00 0.00 60.65 58.94 1mwb h LYS 71 Cb -0.01 -0.19 -0.05 0.00 -0.90 0.00 0.00 32.23 31.08 1mwb h LYS 71 CO -0.05 0.63 0.56 1.49 -2.00 0.00 0.00 179.45 180.08 1mwb h GLU 72 N 0.92 0.99 -0.40 0.07 4.81 -1.34 -0.76 114.58 118.87 1mwb h GLU 72 Ca 0.24 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1mwb h GLU 72 Cb -0.05 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1mwb h GLU 72 CO -0.05 0.66 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.79 1mwb h LEU 73 N 1.02 0.61 -0.70 1.64 3.38 -1.05 -0.25 115.31 119.96 1mwb h LEU 73 Ca 0.35 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1mwb h LEU 73 Cb 0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1mwb h LEU 73 CO -0.12 0.70 0.31 0.58 0.09 0.00 0.00 178.44 180.01 1mwb h VAL 74 N 0.61 1.24 0.17 1.22 2.07 -0.70 0.62 116.25 121.48 1mwb h VAL 74 Ca 0.12 -0.71 -0.29 0.00 0.82 0.00 0.00 66.70 66.64 1mwb h VAL 74 Cb 0.42 0.40 0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1mwb h VAL 74 CO 0.02 0.29 -1.25 -0.33 0.02 0.00 0.00 177.57 176.31 1mwb h GLU 75 N 0.99 0.54 0.08 1.57 4.39 -1.21 -2.11 114.58 118.84 1mwb h GLU 75 Ca 0.24 -0.82 -0.18 0.00 0.34 0.00 0.00 59.36 58.94 1mwb h GLU 75 Cb 0.16 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1mwb h GLU 75 CO -0.02 1.38 -0.90 -0.91 -1.16 0.00 0.00 179.01 177.39 1mwb h ASN 76 N 0.12 0.28 0.20 1.42 2.35 -1.00 -3.38 115.58 115.56 1mwb h ASN 76 Ca -0.21 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.67 1mwb h ASN 76 Cb 1.96 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 40.24 1mwb h ASN 76 CO 0.24 1.40 -1.07 1.41 -1.65 0.00 0.00 177.43 177.76 1mwb n HIS 77 N -4.20 0.08 -2.70 1.19 8.25 0.21 -4.99 115.22 113.06 1mwb n HIS 77 Ca -0.19 0.02 -0.05 0.00 -0.26 0.00 0.00 57.72 57.24 1mwb n HIS 77 Cb 0.76 -0.23 0.02 0.00 1.12 0.00 0.00 29.99 31.66 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 1.43 0.61 3.71 -1.41 0.00 -0.62 -4.97 105.19 103.93 1mwb n GLY 78 Ca 0.03 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.40 4.37 0.43 0.99 2.96 -1.18 -4.96 118.68 118.89 1mwb s LEU 79 Ca 0.12 2.02 0.04 0.00 -0.22 0.00 0.00 54.13 56.09 1mwb s LEU 79 Cb -0.05 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 1mwb s LEU 79 CO 0.16 -0.48 0.15 0.54 -1.32 0.00 0.00 176.35 175.40 1mwb s ASN 80 N 1.08 2.91 0.47 3.68 4.22 -1.26 -4.56 114.94 121.48 1mwb s ASN 80 Ca 0.59 -1.75 0.16 0.00 -2.14 0.00 0.00 52.86 49.72 1mwb s ASN 80 Cb -0.29 0.62 1.15 0.00 1.28 0.00 0.00 41.25 44.01 1mwb s ASN 80 CO 0.29 -1.01 2.03 1.23 -2.04 0.00 0.00 177.10 177.61 1mwb h GLY 81 N 1.72 0.30 0.96 0.45 0.00 -1.98 -1.25 103.07 103.26 1mwb h GLY 81 Ca -0.33 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 46.94 1mwb h GLY 81 CO 0.53 0.07 0.61 0.83 0.00 0.00 0.00 176.54 178.57 1mwb h GLU 82 N 0.23 1.12 -0.19 4.80 5.08 -1.99 0.13 114.58 123.75 1mwb h GLU 82 Ca 0.19 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1mwb h GLU 82 Cb 0.45 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1mwb h GLU 82 CO -0.04 0.74 0.05 0.45 -1.00 0.00 0.00 179.01 179.21 1mwb h HIS 83 N 1.15 0.32 -0.49 4.33 3.86 -1.63 -1.86 115.15 120.83 1mwb h HIS 83 Ca 0.37 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1mwb h HIS 83 Cb 0.03 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1mwb h HIS 83 CO -0.00 0.43 0.30 0.35 0.86 0.00 0.00 177.93 179.86 1mwb h PHE 84 N 0.13 0.65 -0.92 2.45 3.57 -1.31 -2.22 116.94 119.29 1mwb h PHE 84 Ca 0.06 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1mwb h PHE 84 Cb 0.27 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 1mwb h PHE 84 CO 0.01 0.46 0.61 0.22 -2.23 0.00 0.00 178.31 177.37 1mwb h ASP 85 N 0.66 0.98 -0.45 0.41 3.58 -0.65 0.12 116.42 121.07 1mwb h ASP 85 Ca 0.18 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 1mwb h ASP 85 Cb -0.00 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1mwb h ASP 85 CO -0.03 0.66 0.14 0.00 -2.88 0.00 0.00 179.24 177.12 1mwb h ALA 86 N 1.47 0.60 -0.32 -0.78 0.00 -0.84 0.36 119.26 119.75 1mwb h ALA 86 Ca 0.38 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1mwb h ALA 86 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1mwb h ALA 86 CO -0.12 0.25 -0.06 0.28 0.00 0.00 0.00 179.25 179.59 1mwb h VAL 87 N 0.60 1.28 -0.52 0.00 2.07 -0.81 -2.27 116.25 116.60 1mwb h VAL 87 Ca 0.15 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 1mwb h VAL 87 Cb 0.27 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1mwb h VAL 87 CO -0.00 0.35 -0.05 0.00 0.02 0.00 0.00 177.57 177.89 1mwb h ALA 88 N 0.81 0.94 -0.63 1.67 0.00 -0.65 -2.67 119.26 118.72 1mwb h ALA 88 Ca 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1mwb h ALA 88 Cb 0.55 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1mwb h ALA 88 CO 0.03 0.63 0.33 1.49 0.00 0.00 0.00 179.25 181.72 1mwb h GLU 89 N 0.84 0.88 -0.62 0.00 4.81 -0.16 -1.70 114.58 118.62 1mwb h GLU 89 Ca 0.15 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1mwb h GLU 89 Cb 0.56 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1mwb h GLU 89 CO 0.03 0.67 0.38 -0.44 -0.73 0.00 0.00 179.01 178.92 1mwb h ASP 90 N 0.89 0.74 -0.59 1.04 3.32 -1.06 -0.76 116.42 120.00 1mwb h ASP 90 Ca 0.22 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 1mwb h ASP 90 Cb 0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1mwb h ASP 90 CO -0.03 0.58 0.09 0.25 -1.72 0.00 0.00 179.24 178.40 1mwb h LEU 91 N 0.84 0.95 -0.97 1.55 5.85 -1.31 -2.43 115.31 119.80 1mwb h LEU 91 Ca 0.22 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1mwb h LEU 91 Cb -0.04 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 1mwb h LEU 91 CO -0.04 0.98 0.59 0.25 -0.34 0.00 0.00 178.44 179.87 1mwb h LEU 92 N 0.89 1.14 -0.71 2.25 5.85 -0.83 -2.44 115.31 121.46 1mwb h LEU 92 Ca 0.18 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1mwb h LEU 92 Cb 0.44 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1mwb h LEU 92 CO 0.01 0.86 0.04 0.00 -0.34 0.00 0.00 178.44 179.02 1mwb h ALA 93 N 1.33 0.92 -0.51 1.25 0.00 -0.89 -2.46 119.26 118.91 1mwb h ALA 93 Ca 0.34 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1mwb h ALA 93 Cb -0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1mwb h ALA 93 CO -0.07 0.65 0.28 1.15 0.00 0.00 0.00 179.25 181.26 1mwb h THR 94 N 0.96 0.99 -0.48 0.00 2.02 -0.96 -0.70 112.91 114.74 1mwb h THR 94 Ca 0.18 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1mwb h THR 94 Cb 0.49 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1mwb h THR 94 CO 0.02 0.10 0.01 -0.07 0.37 0.00 0.00 175.52 175.95 1mwb h LEU 95 N 0.54 0.76 -0.70 2.58 3.38 -1.38 -2.60 115.31 117.89 1mwb h LEU 95 Ca 0.22 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1mwb h LEU 95 Cb 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1mwb h LEU 95 CO -0.13 0.82 0.28 0.50 0.09 0.00 0.00 178.44 180.00 1mwb h LYS 96 N 0.75 1.05 -0.45 1.13 3.64 -0.87 -2.56 116.57 119.26 1mwb h LYS 96 Ca 0.15 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1mwb h LYS 96 Cb 0.44 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1mwb h LYS 96 CO 0.02 0.87 0.02 0.93 -2.27 0.00 0.00 179.45 179.02 1mwb h GLU 97 N 1.00 0.71 -0.13 1.90 5.08 -0.89 -2.16 114.58 120.09 1mwb h GLU 97 Ca 0.23 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1mwb h GLU 97 Cb 0.21 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1mwb h GLU 97 CO -0.02 0.71 0.09 0.52 -1.00 0.00 0.00 179.01 179.31 1mwb h MET 98 N 0.67 0.13 0.00 2.33 2.86 -1.09 -3.46 114.93 116.38 1mwb h MET 98 Ca 0.14 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1mwb h MET 98 Cb 0.39 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1mwb h MET 98 CO 0.01 0.09 0.00 0.41 1.06 0.00 0.00 176.91 178.48 1mwb n GLY 99 N -1.53 0.91 3.76 8.32 0.00 -0.81 -5.06 105.19 110.78 1mwb n GLY 99 Ca -0.01 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1mwb n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mwb n VAL 100 N -2.14 1.68 -1.47 1.61 0.31 -1.19 -4.88 118.33 112.24 1mwb n VAL 100 Ca 0.00 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 1mwb n VAL 100 Cb 0.00 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 1mwb n VAL 100 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1mwb n PRO 101 N 1.01 0.67 0.12 5.55 -0.04 -1.26 -4.80 135.00 136.24 1mwb n PRO 101 Ca 0.04 0.24 0.05 0.00 -0.04 0.00 0.00 63.50 63.79 1mwb n PRO 101 Cb 0.38 -1.54 0.49 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.99 0.29 -0.76 0.54 4.11 -2.01 -2.51 114.58 115.23 1mwb h GLU 102 Ca -0.40 -0.03 0.07 0.00 0.07 0.00 0.00 59.36 59.08 1mwb h GLU 102 Cb 1.39 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.52 1mwb h GLU 102 CO 0.53 0.24 0.44 0.22 0.07 0.00 0.00 179.01 180.50 1mwb h ASP 103 N 0.29 0.65 0.07 3.06 3.58 -2.02 -1.72 116.42 120.33 1mwb h ASP 103 Ca 0.08 0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.42 1mwb h ASP 103 Cb 0.05 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1mwb h ASP 103 CO -0.01 0.40 -0.49 -0.07 -2.88 0.00 0.00 179.24 176.19 1mwb h LEU 104 N 0.78 0.52 -0.71 2.28 3.38 -1.80 -3.05 115.31 116.71 1mwb h LEU 104 Ca 0.35 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1mwb h LEU 104 Cb 0.25 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1mwb h LEU 104 CO -0.21 0.92 0.30 0.40 0.09 0.00 0.00 178.44 179.95 1mwb h ILE 105 N 0.38 0.74 -0.54 1.22 2.04 -1.18 0.61 117.51 120.79 1mwb h ILE 105 Ca 0.02 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 1mwb h ILE 105 Cb 0.99 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1mwb h ILE 105 CO 0.09 0.09 -0.02 0.00 0.00 0.00 0.00 178.15 178.30 1mwb h ALA 106 N 1.48 0.73 -0.40 1.87 0.00 -1.45 -1.77 119.26 119.71 1mwb h ALA 106 Ca 0.37 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1mwb h ALA 106 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1mwb h ALA 106 CO -0.34 0.57 -0.19 0.93 0.00 0.00 0.00 179.25 180.22 1mwb h GLU 107 N 0.84 0.84 -0.59 0.00 5.08 -1.06 -2.22 114.58 117.46 1mwb h GLU 107 Ca 0.15 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1mwb h GLU 107 Cb 0.57 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1mwb h GLU 107 CO 0.03 1.00 0.12 0.28 -1.00 0.00 0.00 179.01 179.44 1mwb h VAL 108 N 0.65 1.25 -0.31 3.13 2.07 0.23 -2.62 116.25 120.64 1mwb h VAL 108 Ca 0.09 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1mwb h VAL 108 Cb 0.74 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1mwb h VAL 108 CO 0.06 0.35 -0.07 0.00 0.02 0.00 0.00 177.57 177.93 1mwb h ALA 109 N 1.02 1.31 0.00 1.67 0.00 -1.28 -2.47 119.26 119.51 1mwb h ALA 109 Ca 0.18 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1mwb h ALA 109 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1mwb h ALA 109 CO 0.01 0.47 -0.27 0.00 0.00 0.00 0.00 179.25 179.45 1mwb h ALA 110 N 1.46 1.51 -0.32 0.00 0.00 -1.04 1.24 119.26 122.11 1mwb h ALA 110 Ca 0.10 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1mwb h ALA 110 Cb 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1mwb h ALA 110 CO 0.02 0.34 0.07 0.28 0.00 0.00 0.00 179.25 179.96 1mwb h VAL 111 N 0.00 0.85 0.00 0.00 2.07 -1.17 -3.06 116.25 114.93 1mwb h VAL 111 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1mwb h VAL 111 Cb 0.50 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1mwb h VAL 111 CO 0.04 0.03 -1.82 0.00 0.02 0.00 0.00 177.57 175.83 1mwb n ALA 112 N -2.37 2.99 0.17 1.67 0.00 -1.15 -4.27 120.51 117.55 1mwb n ALA 112 Ca 0.01 -0.50 0.11 0.00 0.00 0.00 0.00 53.44 53.06 1mwb n ALA 112 Cb 0.14 -0.71 0.59 0.00 0.00 0.00 0.00 19.45 19.47 1mwb n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1mwb h GLY 113 N 3.89 0.00 -7.00 0.00 0.00 0.17 -3.43 103.07 96.70 1mwb h GLY 113 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1mwb h GLY 113 CO 0.00 0.00 1.41 0.00 0.00 0.00 0.00 176.54 177.95 1mwb n ALA 114 N -1.76 0.93 0.30 3.60 0.00 -1.19 -4.79 120.51 117.60 1mwb n ALA 114 Ca -0.01 -0.04 0.17 0.00 0.00 0.00 0.00 53.44 53.55 1mwb n ALA 114 Cb 0.08 -2.48 0.95 0.00 0.00 0.00 0.00 19.45 18.00 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 11.98 0.00 -0.82 0.00 0.11 -1.95 -2.04 132.00 139.27 1mwb h PRO 115 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 1mwb h PRO 115 Cb 1.34 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 1mwb h PRO 115 CO 1.04 0.02 0.49 0.00 -0.21 0.00 0.00 178.00 179.34 1mwb h ALA 116 N 1.98 1.31 -0.78 -0.75 0.00 -1.95 -2.05 119.26 117.02 1mwb h ALA 116 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1mwb h ALA 116 Cb 0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1mwb h ALA 116 CO 0.00 0.59 0.38 1.25 0.00 0.00 0.00 179.25 181.47 1mwb h HIS 117 N 1.14 1.11 -0.58 0.00 6.17 -1.71 -2.28 115.15 118.99 1mwb h HIS 117 Ca 0.30 -0.05 0.06 0.00 0.71 0.00 0.00 60.37 61.39 1mwb h HIS 117 Cb -0.03 -0.35 -0.03 0.00 2.52 0.00 0.00 27.41 29.51 1mwb h HIS 117 CO 0.01 0.80 0.39 0.87 0.71 0.00 0.00 177.93 180.71 1mwb h LYS 118 N 1.11 0.53 -0.54 5.26 1.57 -1.44 -2.04 116.57 121.02 1mwb h LYS 118 Ca 0.27 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 1mwb h LYS 118 Cb 0.10 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 1mwb h LYS 118 CO -0.04 0.35 0.20 -0.09 -0.57 0.00 0.00 179.45 179.31 1mwb h ARG 119 N 0.55 0.37 -0.58 3.15 9.65 -1.30 1.51 114.38 127.72 1mwb h ARG 119 Ca 0.25 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 59.02 1mwb h ARG 119 Cb 0.30 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1mwb h ARG 119 CO -0.07 0.25 -0.01 -0.44 2.80 0.00 0.00 179.97 182.49 1mwb h ASP 120 N 0.38 1.00 0.31 -3.80 3.32 -1.47 0.66 116.42 116.82 1mwb h ASP 120 Ca 0.26 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1mwb h ASP 120 Cb 0.29 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1mwb h ASP 120 CO -0.26 1.05 -0.15 0.58 -1.72 0.00 0.00 179.24 178.74 1mwb h VAL 121 N 0.93 0.01 -0.23 -1.35 2.07 -0.94 -3.38 116.25 113.37 1mwb h VAL 121 Ca 0.17 -0.70 -0.17 0.00 0.82 0.00 0.00 66.70 66.81 1mwb h VAL 121 Cb 0.55 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1mwb h VAL 121 CO 0.03 0.00 -0.53 -0.07 0.02 0.00 0.00 177.57 177.02 1mwb h LEU 122 N -1.11 0.87 -1.55 2.57 3.38 0.20 -3.37 115.31 116.29 1mwb h LEU 122 Ca -0.04 -0.56 -0.42 0.00 0.09 0.00 0.00 57.88 56.95 1mwb h LEU 122 Cb 0.32 -0.25 0.05 0.00 0.09 0.00 0.00 40.66 40.87 1mwb h LEU 122 CO 0.07 1.27 -0.80 0.59 0.09 0.00 0.00 178.44 179.65 1mwb n ASN 123 N -4.09 -2.27 0.00 -0.43 3.02 0.23 -4.84 115.26 106.89 1mwb n ASN 123 Ca -0.06 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1mwb n ASN 123 Cb 0.62 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.63 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64