#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 0.00 -0.74 2.46 1.35 -2.07 -3.09 112.91 110.82 1mwb h THR 3 Ca 0.00 -0.55 0.05 0.00 -0.55 0.00 0.00 66.41 65.37 1mwb h THR 3 Cb 0.00 1.50 -0.04 0.00 -1.73 0.00 0.00 68.15 67.88 1mwb h THR 3 CO 0.00 0.00 0.48 0.25 -0.25 0.00 0.00 175.52 176.00 1mwb h LEU 4 N 0.00 0.72 -2.08 3.87 5.85 -2.05 -0.58 115.31 121.03 1mwb h LEU 4 Ca 0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1mwb h LEU 4 Cb 0.58 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1mwb h LEU 4 CO 0.00 0.48 -0.08 1.88 -0.34 0.00 0.00 178.44 180.38 1mwb h TYR 5 N 0.83 0.00 -0.45 1.25 0.05 -1.97 -2.40 116.97 114.28 1mwb h TYR 5 Ca 0.31 0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.13 1mwb h TYR 5 Cb 0.17 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1mwb h TYR 5 CO -0.00 0.08 0.30 0.93 -1.05 0.00 0.00 178.16 178.42 1mwb h GLU 6 N 0.00 0.40 -0.92 4.88 4.39 -1.28 0.35 114.58 122.40 1mwb h GLU 6 Ca -0.00 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.72 1mwb h GLU 6 Cb 0.25 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 1mwb h GLU 6 CO 0.01 0.27 0.60 0.87 -1.16 0.00 0.00 179.01 179.60 1mwb h LYS 7 N 0.42 1.08 -0.01 2.33 1.79 -1.56 0.17 116.57 120.79 1mwb h LYS 7 Ca 0.19 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1mwb h LYS 7 Cb 0.23 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1mwb h LYS 7 CO -0.05 0.71 -0.12 1.28 -1.08 0.00 0.00 179.45 180.20 1mwb n LEU 8 N -4.46 0.90 0.00 2.94 7.99 -0.36 -4.89 117.00 119.11 1mwb n LEU 8 Ca 0.13 -0.22 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 1mwb n LEU 8 Cb 0.14 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 1mwb n LEU 8 CO 0.34 0.16 0.00 0.61 -1.51 0.00 0.00 177.39 176.99 1mwb n GLY 9 N 1.25 2.25 7.00 -0.72 0.00 0.60 -4.85 105.19 110.72 1mwb n GLY 9 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 2.68 6.91 -0.02 0.00 0.11 -4.64 105.19 108.23 1mwb n GLY 10 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1mwb n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mwb n THR 11 N 0.00 0.00 -0.26 2.61 -2.24 -1.26 0.17 114.28 113.30 1mwb n THR 11 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1mwb n THR 11 Cb 0.00 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.50 1mwb n THR 11 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mwb h THR 12 N 0.00 1.09 -0.91 4.28 2.02 -1.97 -1.81 112.91 115.61 1mwb h THR 12 Ca 0.00 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1mwb h THR 12 Cb 0.00 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.40 1mwb h THR 12 CO 0.00 0.18 0.59 0.00 0.37 0.00 0.00 175.52 176.66 1mwb h ALA 13 N 1.53 1.16 -0.42 6.16 0.00 0.14 -1.17 119.26 126.65 1mwb h ALA 13 Ca 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1mwb h ALA 13 Cb 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1mwb h ALA 13 CO -0.11 0.57 0.04 0.28 0.00 0.00 0.00 179.25 180.03 1mwb h VAL 14 N 1.24 1.25 -0.78 0.00 2.07 -1.39 -2.86 116.25 115.77 1mwb h VAL 14 Ca 0.33 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1mwb h VAL 14 Cb -0.13 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1mwb h VAL 14 CO -0.07 0.33 0.46 0.44 0.02 0.00 0.00 177.57 178.74 1mwb h ASP 15 N 0.57 0.94 -0.96 0.57 3.32 -1.00 -2.20 116.42 117.66 1mwb h ASP 15 Ca 0.13 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1mwb h ASP 15 Cb 0.42 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1mwb h ASP 15 CO 0.01 0.73 0.62 0.25 -1.72 0.00 0.00 179.24 179.14 1mwb h LEU 16 N 1.08 1.04 0.16 1.55 6.46 -1.01 1.37 115.31 125.97 1mwb h LEU 16 Ca 0.28 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.02 1mwb h LEU 16 Cb -0.02 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.67 1mwb h LEU 16 CO -0.05 0.72 -0.08 0.00 -0.62 0.00 0.00 178.44 178.41 1mwb h ALA 17 N 1.39 -0.22 -0.17 1.25 0.00 -1.26 0.11 119.26 120.35 1mwb h ALA 17 Ca 0.38 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1mwb h ALA 17 Cb -0.01 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1mwb h ALA 17 CO -0.12 -0.46 -0.16 0.28 0.00 0.00 0.00 179.25 178.79 1mwb h VAL 18 N -0.55 1.33 -0.15 0.00 2.07 -1.23 -0.74 116.25 116.99 1mwb h VAL 18 Ca -0.02 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1mwb h VAL 18 Cb 0.42 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1mwb h VAL 18 CO 0.04 0.39 0.07 -0.78 0.02 0.00 0.00 177.57 177.31 1mwb h ASP 19 N 0.07 0.20 -0.24 0.57 3.58 0.18 0.16 116.42 120.94 1mwb h ASP 19 Ca 0.03 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.33 1mwb h ASP 19 Cb 0.69 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1mwb h ASP 19 CO 0.04 0.27 0.04 0.50 -2.88 0.00 0.00 179.24 177.21 1mwb h LYS 20 N 0.12 0.39 -0.80 0.28 3.64 -0.83 -2.84 116.57 116.53 1mwb h LYS 20 Ca 0.05 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1mwb h LYS 20 Cb 0.12 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1mwb h LYS 20 CO -0.01 0.52 0.46 0.35 -2.27 0.00 0.00 179.45 178.50 1mwb h PHE 21 N 0.20 1.07 -0.56 1.91 3.57 -1.05 -2.54 116.94 119.54 1mwb h PHE 21 Ca 0.07 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1mwb h PHE 21 Cb 0.31 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 1mwb h PHE 21 CO 0.02 0.73 0.25 -0.92 -2.23 0.00 0.00 178.31 176.15 1mwb h TYR 22 N 1.11 0.45 -0.43 0.41 3.20 -0.47 -1.89 116.97 119.35 1mwb h TYR 22 Ca 0.29 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 1mwb h TYR 22 Cb -0.01 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1mwb h TYR 22 CO 0.01 0.18 -0.07 0.93 -1.64 0.00 0.00 178.16 177.56 1mwb h GLU 23 N 0.47 0.75 -0.81 1.82 4.39 -1.24 -2.77 114.58 117.19 1mwb h GLU 23 Ca 0.26 -0.23 0.05 0.00 0.34 0.00 0.00 59.36 59.79 1mwb h GLU 23 Cb 0.23 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.76 1mwb h GLU 23 CO -0.22 0.81 0.53 0.00 -1.16 0.00 0.00 179.01 178.97 1mwb h ARG 24 N 0.69 0.90 -0.39 2.33 2.47 -0.99 -1.24 114.38 118.15 1mwb h ARG 24 Ca 0.12 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1mwb h ARG 24 Cb 0.53 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 1mwb h ARG 24 CO 0.03 0.60 0.13 0.28 0.56 0.00 0.00 179.97 181.56 1mwb h VAL 25 N 0.93 1.21 -0.62 2.04 2.07 -1.18 -2.53 116.25 118.17 1mwb h VAL 25 Ca 0.34 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1mwb h VAL 25 Cb 0.15 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1mwb h VAL 25 CO -0.11 0.24 0.14 -0.07 0.02 0.00 0.00 177.57 177.79 1mwb h LEU 26 N 0.48 0.92 -1.58 2.57 3.38 -1.33 -2.51 115.31 117.24 1mwb h LEU 26 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1mwb h LEU 26 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1mwb h LEU 26 CO -0.00 0.89 0.06 1.56 0.09 0.00 0.00 178.44 181.04 1mwb h GLN 27 N 0.93 0.33 -6.26 1.13 4.20 -1.03 -3.39 115.11 111.03 1mwb h GLN 27 Ca 0.20 -0.04 -0.53 0.00 0.06 0.00 0.00 58.65 58.34 1mwb h GLN 27 Cb 0.34 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 1mwb h GLN 27 CO 0.00 0.31 1.15 0.34 -0.67 0.00 0.00 178.83 179.96 1mwb s ASP 28 N -6.83 5.90 0.44 1.46 2.15 -0.94 -4.84 116.67 114.01 1mwb s ASP 28 Ca -0.07 -0.13 0.13 0.00 0.43 0.00 0.00 52.55 52.92 1mwb s ASP 28 Cb 0.16 -2.55 0.99 0.00 -0.30 0.00 0.00 42.92 41.23 1mwb s ASP 28 CO 0.72 -1.98 2.01 -0.78 -0.17 0.00 0.00 175.17 174.97 1mwb h ASP 29 N 11.59 0.07 -0.94 -0.34 3.58 -1.83 -0.05 116.42 128.50 1mwb h ASP 29 Ca -0.27 -0.01 0.12 0.00 0.42 0.00 0.00 57.03 57.28 1mwb h ASP 29 Cb 1.09 -0.02 -0.08 0.00 1.72 0.00 0.00 39.33 42.04 1mwb h ASP 29 CO 1.25 0.20 0.57 0.03 -2.88 0.00 0.00 179.24 178.41 1mwb h ARG 30 N 0.08 0.87 -0.01 0.28 2.47 -1.94 -2.74 114.38 113.40 1mwb h ARG 30 Ca 0.02 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1mwb h ARG 30 Cb 0.25 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1mwb h ARG 30 CO 0.02 0.58 -0.19 0.44 0.56 0.00 0.00 179.97 181.38 1mwb n ILE 31 N -4.68 0.00 -0.12 2.04 -5.35 -1.08 -4.56 119.36 105.61 1mwb n ILE 31 Ca 0.17 -0.41 0.09 0.00 -0.27 0.00 0.00 62.75 62.33 1mwb n ILE 31 Cb 0.35 1.16 0.43 0.00 -1.74 0.00 0.00 39.64 39.83 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 1.50 0.56 -0.82 6.28 3.64 -0.68 -1.22 116.57 125.83 1mwb h LYS 32 Ca 0.00 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1mwb h LYS 32 Cb 0.41 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1mwb h LYS 32 CO 0.00 0.37 0.54 1.12 -2.27 0.00 0.00 179.45 179.21 1mwb h HIS 33 N 0.58 0.80 -0.59 1.91 2.07 -1.81 0.40 115.15 118.51 1mwb h HIS 33 Ca 0.28 0.02 -0.05 0.00 -2.85 0.00 0.00 60.37 57.77 1mwb h HIS 33 Cb 0.35 -0.26 -0.03 0.00 2.57 0.00 0.00 27.41 30.04 1mwb h HIS 33 CO -0.00 0.36 0.17 0.74 -3.07 0.00 0.00 177.93 176.12 1mwb h PHE 34 N 0.73 0.93 -0.59 6.12 0.04 -1.55 -2.23 116.94 120.40 1mwb h PHE 34 Ca 0.39 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1mwb h PHE 34 Cb 0.51 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1mwb h PHE 34 CO -0.00 0.76 0.00 1.19 -0.60 0.00 0.00 178.31 179.66 1mwb n PHE 35 N -4.28 0.96 -0.30 -0.55 3.72 0.22 -4.42 117.46 112.81 1mwb n PHE 35 Ca 0.05 -0.44 0.06 0.00 -0.05 0.00 0.00 57.45 57.07 1mwb n PHE 35 Cb 0.22 -0.07 0.27 0.00 -0.94 0.00 0.00 39.48 38.96 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 4.04 1.59 -2.59 4.37 0.00 0.32 -3.34 119.26 123.65 1mwb h ALA 36 Ca 0.00 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1mwb h ALA 36 Cb 0.96 -0.22 -0.39 0.00 0.00 0.00 0.00 17.79 18.13 1mwb h ALA 36 CO 0.06 0.23 -0.86 -0.51 0.00 0.00 0.00 179.25 178.18 1mwb s ASP 37 N -5.91 2.78 -0.12 0.00 1.01 -1.26 -5.09 116.67 108.08 1mwb s ASP 37 Ca -0.11 -2.40 -0.10 0.00 0.71 0.00 0.00 52.55 50.65 1mwb s ASP 37 Cb 0.21 -0.47 0.03 0.00 1.01 0.00 0.00 42.92 43.70 1mwb s ASP 37 CO 0.80 -0.28 0.31 -0.69 0.21 0.00 0.00 175.17 175.52 1mwb s VAL 38 N 0.80 -0.00 0.39 -1.27 1.01 -1.26 -5.13 120.40 114.95 1mwb s VAL 38 Ca 0.21 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 1mwb s VAL 38 Cb -0.18 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 1mwb s VAL 38 CO -0.03 0.01 1.26 1.51 0.00 0.00 0.00 175.10 177.85 1mwb s ASP 39 N 0.32 6.44 0.52 3.32 1.47 -1.26 -4.90 116.67 122.58 1mwb s ASP 39 Ca -0.01 2.56 0.17 0.00 1.18 0.00 0.00 52.55 56.44 1mwb s ASP 39 Cb -0.03 -2.63 1.28 0.00 -0.34 0.00 0.00 42.92 41.20 1mwb s ASP 39 CO -0.01 -0.75 2.15 0.00 0.68 0.00 0.00 175.17 177.23 1mwb h MET 40 N 2.76 0.00 0.18 2.11 -0.00 -2.01 -2.88 114.93 115.09 1mwb h MET 40 Ca -0.49 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.22 1mwb h MET 40 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.82 1mwb h MET 40 CO 0.63 0.01 -0.23 0.00 -0.00 0.00 0.00 176.91 177.32 1mwb h ALA 41 N 1.99 -0.43 -0.77 -3.00 0.00 -2.00 -0.29 119.26 114.76 1mwb h ALA 41 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1mwb h ALA 41 Cb 0.02 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1mwb h ALA 41 CO 0.00 -0.78 0.31 0.87 0.00 0.00 0.00 179.25 179.66 1mwb h LYS 42 N -0.46 1.14 -0.94 0.00 1.57 -1.91 -2.65 116.57 113.32 1mwb h LYS 42 Ca 0.01 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1mwb h LYS 42 Cb 0.45 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1mwb h LYS 42 CO -0.08 0.92 0.60 1.96 -0.57 0.00 0.00 179.45 182.28 1mwb h GLN 43 N 1.11 1.26 -0.77 3.15 4.20 -1.29 0.12 115.11 122.89 1mwb h GLN 43 Ca 0.26 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.92 1mwb h GLN 43 Cb 0.20 -0.28 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 1mwb h GLN 43 CO -0.02 0.85 0.48 -0.09 -0.67 0.00 0.00 178.83 179.37 1mwb h ARG 44 N 1.29 0.88 -0.08 1.46 9.65 -0.69 0.12 114.38 127.01 1mwb h ARG 44 Ca 0.34 -0.05 -0.17 0.00 -1.10 0.00 0.00 59.98 59.00 1mwb h ARG 44 Cb -0.11 -0.20 0.01 0.00 -1.39 0.00 0.00 29.97 28.28 1mwb h ARG 44 CO -0.07 0.58 -0.63 0.00 2.80 0.00 0.00 179.97 182.65 1mwb h ALA 45 N 1.34 0.18 0.06 2.80 0.00 -1.32 -2.23 119.26 120.09 1mwb h ALA 45 Ca 0.32 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1mwb h ALA 45 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1mwb h ALA 45 CO -0.14 0.46 -0.03 1.25 0.00 0.00 0.00 179.25 180.80 1mwb h HIS 46 N 0.18 -0.07 -0.70 0.00 -0.00 -0.44 0.77 115.15 114.88 1mwb h HIS 46 Ca -0.06 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.27 1mwb h HIS 46 Cb 1.28 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.69 1mwb h HIS 46 CO 0.11 -0.02 0.27 1.96 -0.00 0.00 0.00 177.93 180.25 1mwb h GLN 47 N -0.10 1.06 -0.60 5.26 1.08 -0.87 -1.35 115.11 119.60 1mwb h GLN 47 Ca -0.01 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 56.96 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 0.01 0.88 0.26 -0.22 -0.95 0.00 0.00 178.83 178.82 1mwb h LYS 48 N 1.01 0.87 -0.55 1.46 3.11 -1.17 -2.31 116.57 118.99 1mwb h LYS 48 Ca 0.23 -0.14 -0.09 0.00 -2.81 0.00 0.00 60.65 57.84 1mwb h LYS 48 Cb 0.23 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.29 1mwb h LYS 48 CO -0.02 0.73 -0.00 0.00 -2.81 0.00 0.00 179.45 177.35 1mwb h ALA 49 N 1.10 0.96 -0.13 5.00 0.00 -0.59 -2.23 119.26 123.37 1mwb h ALA 49 Ca 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 49 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1mwb h ALA 49 CO -0.02 0.63 0.08 0.35 0.00 0.00 0.00 179.25 180.29 1mwb h PHE 50 N 0.87 0.17 -0.65 0.00 3.57 -0.96 0.29 116.94 120.23 1mwb h PHE 50 Ca 0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1mwb h PHE 50 Cb 0.51 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1mwb h PHE 50 CO 0.03 0.16 0.37 1.25 -2.23 0.00 0.00 178.31 177.89 1mwb h LEU 51 N 0.14 0.80 -0.68 0.59 6.46 -1.34 -1.17 115.31 120.12 1mwb h LEU 51 Ca 0.05 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1mwb h LEU 51 Cb 0.03 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.73 1mwb h LEU 51 CO -0.01 0.65 0.32 0.74 -0.62 0.00 0.00 178.44 179.52 1mwb h THR 52 N 0.89 1.23 -0.76 1.05 2.02 -1.15 -2.20 112.91 114.00 1mwb h THR 52 Ca 0.23 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 1mwb h THR 52 Cb 0.02 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1mwb h THR 52 CO -0.04 0.27 0.25 0.22 0.37 0.00 0.00 175.52 176.59 1mwb h TYR 53 N 0.95 1.21 -0.57 3.16 3.20 -0.52 -2.48 116.97 121.92 1mwb h TYR 53 Ca 0.23 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1mwb h TYR 53 Cb 0.13 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 1mwb h TYR 53 CO 0.01 0.94 0.03 0.00 -1.64 0.00 0.00 178.16 177.50 1mwb h ALA 54 N 1.13 0.77 0.00 1.82 0.00 -0.95 2.56 119.26 124.60 1mwb h ALA 54 Ca 0.25 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1mwb h ALA 54 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1mwb h ALA 54 CO -0.01 0.58 -0.32 0.74 0.00 0.00 0.00 179.25 180.24 1mwb h PHE 55 N 0.88 0.00 -0.13 0.00 -1.00 -1.25 -3.37 116.94 112.07 1mwb h PHE 55 Ca 0.17 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.70 1mwb h PHE 55 Cb 0.51 0.00 -0.17 0.00 3.61 0.00 0.00 35.95 39.90 1mwb h PHE 55 CO 0.04 0.32 -0.47 0.41 -1.61 0.00 0.00 178.31 176.99 1mwb n GLY 56 N -0.50 1.02 3.75 -1.45 0.00 -0.95 -5.03 105.19 102.04 1mwb n GLY 56 Ca -0.02 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.36 2.17 0.18 -0.02 0.00 0.86 -4.81 107.32 104.33 1mwb s GLY 57 Ca 0.23 1.56 -0.25 0.00 0.00 0.00 0.00 44.72 46.26 1mwb s GLY 57 CO -0.06 2.52 0.78 -1.59 0.00 0.00 0.00 173.10 174.74 1mwb s THR 58 N -0.06 4.38 0.33 0.90 2.01 -1.26 -4.95 115.64 116.99 1mwb s THR 58 Ca 0.62 1.67 0.05 0.00 0.31 0.00 0.00 61.69 64.35 1mwb s THR 58 Cb -0.47 -4.11 0.30 0.00 0.01 0.00 0.00 72.50 68.23 1mwb s THR 58 CO 0.48 0.49 1.89 0.44 -0.69 0.00 0.00 174.62 177.23 1mwb h ASP 59 N 4.21 0.76 -3.43 3.53 3.32 -1.96 -3.40 116.42 119.45 1mwb h ASP 59 Ca -0.47 0.03 -0.43 0.00 0.02 0.00 0.00 57.03 56.18 1mwb h ASP 59 Cb 1.20 -0.13 -0.34 0.00 0.22 0.00 0.00 39.33 40.28 1mwb h ASP 59 CO 0.66 0.43 -0.78 -0.75 -1.72 0.00 0.00 179.24 177.08 1mwb s LYS 60 N -5.77 0.92 -0.13 3.56 2.20 -1.26 -4.61 119.74 114.65 1mwb s LYS 60 Ca -0.11 -0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.39 1mwb s LYS 60 Cb 0.21 -0.93 -0.01 0.00 -1.51 0.00 0.00 37.83 35.59 1mwb s LYS 60 CO 0.79 -0.09 -0.16 -0.47 -0.36 0.00 0.00 175.35 175.05 1mwb s TYR 61 N 1.00 2.74 0.14 4.03 5.04 -1.26 -5.11 117.35 123.92 1mwb s TYR 61 Ca -0.10 -0.86 -0.28 0.00 -2.44 0.00 0.00 57.07 53.40 1mwb s TYR 61 Cb -0.14 -1.82 -0.07 0.00 0.35 0.00 0.00 41.96 40.28 1mwb s TYR 61 CO -0.00 -0.34 0.87 -0.51 -1.34 0.00 0.00 175.55 174.23 1mwb s ASP 62 N 0.48 7.44 0.00 4.32 1.01 -1.26 -4.72 116.67 123.94 1mwb s ASP 62 Ca -0.11 1.71 0.00 0.00 0.71 0.00 0.00 52.55 54.86 1mwb s ASP 62 Cb -0.16 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1mwb s ASP 62 CO 0.05 0.08 0.00 0.61 0.21 0.00 0.00 175.17 176.11 1mwb n GLY 63 N 1.94 0.09 0.20 0.21 0.00 -1.26 -4.97 105.19 101.39 1mwb n GLY 63 Ca -0.02 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.51 1mwb n GLY 63 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1mwb h ARG 64 N 0.00 0.00 -0.96 1.61 0.11 -2.03 0.75 114.38 113.86 1mwb h ARG 64 Ca 0.00 0.00 0.13 0.00 0.10 0.00 0.00 59.98 60.21 1mwb h ARG 64 Cb 0.00 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.00 1mwb h ARG 64 CO 0.00 0.00 0.61 -0.92 0.10 0.00 0.00 179.97 179.76 1mwb h TYR 65 N 0.00 1.02 -0.93 4.08 3.20 -1.98 0.01 116.97 122.36 1mwb h TYR 65 Ca 0.00 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1mwb h TYR 65 Cb 1.01 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 1mwb h TYR 65 CO 0.00 0.38 0.61 0.52 -1.64 0.00 0.00 178.16 178.03 1mwb h MET 66 N 0.86 1.13 -0.90 1.82 2.86 -1.24 -1.31 114.93 118.15 1mwb h MET 66 Ca 0.48 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1mwb h MET 66 Cb 0.60 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1mwb h MET 66 CO -0.25 0.75 0.56 -0.09 1.06 0.00 0.00 176.91 178.94 1mwb h ARG 67 N 1.16 1.21 -0.75 1.72 2.43 -1.18 -0.38 114.38 118.59 1mwb h ARG 67 Ca 0.37 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1mwb h ARG 67 Cb 0.02 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 1mwb h ARG 67 CO -0.11 0.83 0.28 0.93 -1.51 0.00 0.00 179.97 180.39 1mwb h GLU 68 N 1.24 1.14 0.12 0.20 5.08 -1.02 0.29 114.58 121.63 1mwb h GLU 68 Ca 0.33 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1mwb h GLU 68 Cb -0.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1mwb h GLU 68 CO -0.06 0.94 -0.06 0.00 -1.00 0.00 0.00 179.01 178.83 1mwb h ALA 69 N 1.19 -0.16 -0.52 3.43 0.00 -1.02 -3.16 119.26 119.02 1mwb h ALA 69 Ca 0.25 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1mwb h ALA 69 Cb 0.25 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1mwb h ALA 69 CO -0.02 -0.27 0.02 0.45 0.00 0.00 0.00 179.25 179.44 1mwb h HIS 70 N -0.81 0.91 -0.76 0.00 3.86 -1.08 -2.88 115.15 114.39 1mwb h HIS 70 Ca -0.02 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1mwb h HIS 70 Cb 0.55 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 1mwb h HIS 70 CO 0.10 0.82 0.42 1.57 0.86 0.00 0.00 177.93 181.70 1mwb h LYS 71 N 0.80 1.05 -0.61 2.45 2.10 -0.52 -1.32 116.57 120.52 1mwb h LYS 71 Ca 0.16 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1mwb h LYS 71 Cb 0.45 -0.21 -0.03 0.00 -0.90 0.00 0.00 32.23 31.54 1mwb h LYS 71 CO 0.02 0.77 0.39 0.93 -2.00 0.00 0.00 179.45 179.56 1mwb h GLU 72 N 1.06 0.81 -0.72 0.07 5.08 -1.47 -1.10 114.58 118.31 1mwb h GLU 72 Ca 0.27 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1mwb h GLU 72 Cb 0.02 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1mwb h GLU 72 CO -0.04 0.54 0.40 -0.07 -1.00 0.00 0.00 179.01 178.84 1mwb h LEU 73 N 0.83 0.89 -0.59 1.33 3.38 -1.18 0.11 115.31 120.07 1mwb h LEU 73 Ca 0.22 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1mwb h LEU 73 Cb -0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1mwb h LEU 73 CO -0.05 0.71 0.16 0.58 0.09 0.00 0.00 178.44 179.93 1mwb h VAL 74 N 1.00 1.25 0.06 1.22 2.07 -0.92 0.42 116.25 121.36 1mwb h VAL 74 Ca 0.26 -0.88 -0.28 0.00 0.82 0.00 0.00 66.70 66.62 1mwb h VAL 74 Cb 0.02 0.69 0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1mwb h VAL 74 CO -0.04 0.33 -1.12 -0.33 0.02 0.00 0.00 177.57 176.43 1mwb h GLU 75 N 0.85 0.64 0.07 1.57 5.08 -1.05 -2.10 114.58 119.65 1mwb h GLU 75 Ca 0.19 -0.78 -0.22 0.00 -1.00 0.00 0.00 59.36 57.55 1mwb h GLU 75 Cb 0.33 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1mwb h GLU 75 CO -0.00 1.34 -1.15 -0.91 -1.00 0.00 0.00 179.01 177.29 1mwb h ASN 76 N 0.29 0.25 0.19 1.42 2.35 -0.79 -3.39 115.58 115.89 1mwb h ASN 76 Ca -0.16 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 54.79 1mwb h ASN 76 Cb 1.79 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.08 1mwb h ASN 76 CO 0.22 1.49 -1.02 1.41 -1.65 0.00 0.00 177.43 177.88 1mwb n HIS 77 N -4.14 0.06 -2.74 1.19 8.25 0.14 -4.99 115.22 113.00 1mwb n HIS 77 Ca -0.24 0.02 -0.06 0.00 -0.26 0.00 0.00 57.72 57.18 1mwb n HIS 77 Cb 0.79 -0.20 0.02 0.00 1.12 0.00 0.00 29.99 31.73 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 0.49 3.72 -1.41 0.00 -0.70 -4.97 105.19 103.76 1mwb n GLY 78 Ca 0.03 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.84 4.37 0.42 0.99 2.96 -1.17 -4.96 118.68 118.46 1mwb s LEU 79 Ca 0.14 2.23 0.04 0.00 -0.22 0.00 0.00 54.13 56.32 1mwb s LEU 79 Cb -0.06 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 1mwb s LEU 79 CO 0.20 -0.59 0.15 0.54 -1.32 0.00 0.00 176.35 175.34 1mwb s ASN 80 N 1.05 2.88 0.52 3.68 4.22 -1.26 -4.60 114.94 121.43 1mwb s ASN 80 Ca 0.62 -1.74 0.21 0.00 -2.14 0.00 0.00 52.86 49.81 1mwb s ASN 80 Cb -0.34 0.61 1.32 0.00 1.28 0.00 0.00 41.25 44.12 1mwb s ASN 80 CO 0.30 -1.00 2.05 1.23 -2.04 0.00 0.00 177.10 177.65 1mwb h GLY 81 N 1.73 0.04 1.25 0.45 0.00 -1.99 -0.95 103.07 103.61 1mwb h GLY 81 Ca -0.34 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.03 1mwb h GLY 81 CO 0.53 0.01 0.38 0.83 0.00 0.00 0.00 176.54 178.30 1mwb h GLU 82 N 0.03 0.58 -0.02 4.80 4.39 -1.99 -0.23 114.58 122.14 1mwb h GLU 82 Ca 0.16 -0.04 -0.25 0.00 0.34 0.00 0.00 59.36 59.57 1mwb h GLU 82 Cb 0.60 -0.13 0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1mwb h GLU 82 CO -0.01 0.39 -0.96 0.45 -1.16 0.00 0.00 179.01 177.72 1mwb h HIS 83 N 0.60 1.01 0.18 4.33 3.86 -1.58 -2.61 115.15 120.94 1mwb h HIS 83 Ca 0.24 -0.54 -0.01 0.00 -1.16 0.00 0.00 60.37 58.91 1mwb h HIS 83 Cb 0.20 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1mwb h HIS 83 CO -0.00 1.37 -0.09 0.35 0.86 0.00 0.00 177.93 180.42 1mwb h PHE 84 N 0.37 -0.23 -0.09 2.45 3.04 -1.25 -2.95 116.94 118.29 1mwb h PHE 84 Ca -0.11 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.78 1mwb h PHE 84 Cb 1.62 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 40.19 1mwb h PHE 84 CO 0.11 0.01 -0.20 0.38 -2.02 0.00 0.00 178.31 176.58 1mwb h ASP 85 N -0.43 0.13 -0.74 0.41 3.04 -1.19 -2.68 116.42 114.97 1mwb h ASP 85 Ca -0.02 -0.03 0.03 0.00 -3.24 0.00 0.00 57.03 53.76 1mwb h ASP 85 Cb 0.33 -0.04 -0.04 0.00 -1.04 0.00 0.00 39.33 38.54 1mwb h ASP 85 CO 0.04 0.35 0.47 0.00 -2.04 0.00 0.00 179.24 178.06 1mwb h ALA 86 N 1.67 0.96 -0.44 4.15 0.00 -1.33 -0.84 119.26 123.43 1mwb h ALA 86 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1mwb h ALA 86 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1mwb h ALA 86 CO 0.03 0.27 -0.20 0.28 0.00 0.00 0.00 179.25 179.62 1mwb h VAL 87 N 0.92 1.27 -0.90 0.00 2.07 -1.32 -2.95 116.25 115.34 1mwb h VAL 87 Ca 0.29 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1mwb h VAL 87 Cb 0.00 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1mwb h VAL 87 CO -0.10 0.46 0.49 0.00 0.02 0.00 0.00 177.57 178.43 1mwb h ALA 88 N 1.00 1.16 -0.52 1.67 0.00 -1.10 -2.24 119.26 119.22 1mwb h ALA 88 Ca 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1mwb h ALA 88 Cb 0.74 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1mwb h ALA 88 CO 0.06 0.67 0.15 0.93 0.00 0.00 0.00 179.25 181.06 1mwb h GLU 89 N 1.26 0.77 -0.54 0.00 5.08 -1.04 -0.10 114.58 120.01 1mwb h GLU 89 Ca 0.32 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1mwb h GLU 89 Cb 0.04 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1mwb h GLU 89 CO -0.05 0.68 0.32 -0.44 -1.00 0.00 0.00 179.01 178.51 1mwb h ASP 90 N 0.75 0.65 -0.30 1.42 3.32 -1.25 0.11 116.42 121.13 1mwb h ASP 90 Ca 0.17 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1mwb h ASP 90 Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1mwb h ASP 90 CO -0.01 0.53 -0.22 0.25 -1.72 0.00 0.00 179.24 178.07 1mwb h LEU 91 N 0.72 0.71 -1.00 1.55 5.85 -1.19 -2.58 115.31 119.37 1mwb h LEU 91 Ca 0.19 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1mwb h LEU 91 Cb -0.00 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1mwb h LEU 91 CO -0.03 1.00 0.66 0.25 -0.34 0.00 0.00 178.44 179.97 1mwb h LEU 92 N 0.42 1.15 -0.88 2.25 5.85 -0.73 -2.09 115.31 121.28 1mwb h LEU 92 Ca 0.06 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1mwb h LEU 92 Cb 0.77 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1mwb h LEU 92 CO 0.06 0.84 -0.00 0.00 -0.34 0.00 0.00 178.44 178.99 1mwb h ALA 93 N 1.36 1.06 -0.77 1.25 0.00 -0.70 -2.85 119.26 118.62 1mwb h ALA 93 Ca 0.36 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1mwb h ALA 93 Cb -0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 1mwb h ALA 93 CO -0.08 0.59 0.51 1.15 0.00 0.00 0.00 179.25 181.41 1mwb h THR 94 N 0.77 1.17 -0.57 0.00 2.02 -0.97 -2.16 112.91 113.17 1mwb h THR 94 Ca 0.15 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1mwb h THR 94 Cb 0.47 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1mwb h THR 94 CO 0.02 0.19 0.14 -0.07 0.37 0.00 0.00 175.52 176.17 1mwb h LEU 95 N 1.02 0.82 -0.96 2.58 3.38 -1.27 -2.69 115.31 118.19 1mwb h LEU 95 Ca 0.29 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1mwb h LEU 95 Cb -0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1mwb h LEU 95 CO -0.08 0.80 0.46 0.11 0.09 0.00 0.00 178.44 179.83 1mwb h LYS 96 N 0.85 1.20 -0.64 1.13 1.57 -1.18 -2.39 116.57 117.10 1mwb h LYS 96 Ca 0.19 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1mwb h LYS 96 Cb 0.30 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1mwb h LYS 96 CO -0.00 0.88 0.23 0.93 -0.57 0.00 0.00 179.45 180.92 1mwb h GLU 97 N 1.20 0.95 -0.13 3.15 5.08 -1.13 -1.98 114.58 121.71 1mwb h GLU 97 Ca 0.30 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1mwb h GLU 97 Cb 0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1mwb h GLU 97 CO -0.05 0.79 -0.06 0.52 -1.00 0.00 0.00 179.01 179.22 1mwb h MET 98 N 0.93 0.20 0.00 2.33 2.86 -1.28 -3.46 114.93 116.50 1mwb h MET 98 Ca 0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1mwb h MET 98 Cb 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1mwb h MET 98 CO -0.02 0.27 0.00 0.41 1.06 0.00 0.00 176.91 178.64 1mwb n GLY 99 N -1.11 1.18 3.75 8.32 0.00 -0.75 -5.07 105.19 111.51 1mwb n GLY 99 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 2.34 0.44 1.61 1.01 -1.18 -4.91 120.40 117.72 1mwb s VAL 100 Ca 0.00 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.04 1mwb s VAL 100 Cb 0.00 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 1mwb s VAL 100 CO 0.00 0.04 0.88 -0.81 0.00 0.00 0.00 175.10 175.21 1mwb n PRO 101 N 2.34 1.08 -0.04 2.72 -0.04 -1.26 -4.74 135.00 135.06 1mwb n PRO 101 Ca 0.08 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.97 1mwb n PRO 101 Cb 0.39 -1.91 0.40 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.21 0.61 -0.56 0.54 5.08 -1.99 -1.53 114.58 117.93 1mwb h GLU 102 Ca -0.44 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1mwb h GLU 102 Cb 1.36 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1mwb h GLU 102 CO 0.55 0.40 0.37 -0.44 -1.00 0.00 0.00 179.01 178.88 1mwb h ASP 103 N 0.62 0.63 -0.27 1.42 3.32 -2.00 -0.17 116.42 119.98 1mwb h ASP 103 Ca 0.18 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 1mwb h ASP 103 Cb -0.03 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1mwb h ASP 103 CO -0.04 0.45 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.42 1mwb h LEU 104 N 0.75 0.86 -1.20 1.55 -0.00 -1.77 -3.01 115.31 112.48 1mwb h LEU 104 Ca 0.21 -0.52 0.01 0.00 -0.00 0.00 0.00 57.88 57.57 1mwb h LEU 104 Cb -0.07 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.30 1mwb h LEU 104 CO -0.05 1.22 0.54 0.40 -0.00 0.00 0.00 178.44 180.55 1mwb h ILE 105 N 0.52 1.21 -0.77 1.22 2.04 -1.01 -1.62 117.51 119.10 1mwb h ILE 105 Ca 0.02 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1mwb h ILE 105 Cb 1.05 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1mwb h ILE 105 CO 0.10 0.20 0.37 0.00 0.00 0.00 0.00 178.15 178.82 1mwb h ALA 106 N 1.49 0.99 -0.45 1.87 0.00 -0.97 -1.85 119.26 120.35 1mwb h ALA 106 Ca 0.30 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1mwb h ALA 106 Cb -0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 1mwb h ALA 106 CO -0.07 0.55 -0.07 0.93 0.00 0.00 0.00 179.25 180.59 1mwb h GLU 107 N 1.08 0.79 -0.72 0.00 5.08 -1.24 -2.71 114.58 116.85 1mwb h GLU 107 Ca 0.26 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1mwb h GLU 107 Cb 0.12 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1mwb h GLU 107 CO -0.03 0.84 0.21 0.28 -1.00 0.00 0.00 179.01 179.31 1mwb h VAL 108 N 0.72 1.26 -0.66 3.13 2.07 -0.85 -2.48 116.25 119.44 1mwb h VAL 108 Ca 0.13 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1mwb h VAL 108 Cb 0.54 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1mwb h VAL 108 CO 0.03 0.36 0.27 0.00 0.02 0.00 0.00 177.57 178.25 1mwb h ALA 109 N 1.10 1.24 -0.32 1.67 0.00 -1.12 -2.32 119.26 119.51 1mwb h ALA 109 Ca 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 109 Cb 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1mwb h ALA 109 CO -0.00 0.56 -0.11 0.00 0.00 0.00 0.00 179.25 179.70 1mwb h ALA 110 N 1.35 1.21 -0.10 0.00 0.00 -1.16 0.10 119.26 120.66 1mwb h ALA 110 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1mwb h ALA 110 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mwb h ALA 110 CO -0.02 0.51 0.06 0.28 0.00 0.00 0.00 179.25 180.08 1mwb h VAL 111 N 0.51 1.04 0.00 0.00 2.07 -0.98 -2.39 116.25 116.49 1mwb h VAL 111 Ca 0.09 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1mwb h VAL 111 Cb 0.50 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1mwb h VAL 111 CO 0.03 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1mwb h ALA 112 N 1.01 1.00 0.00 1.67 0.00 -1.39 -3.19 119.26 118.37 1mwb h ALA 112 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1mwb h ALA 112 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mwb h ALA 112 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1mwb n GLY 113 N 1.15 -0.73 3.43 0.00 0.00 0.35 -4.83 105.19 104.56 1mwb n GLY 113 Ca 0.05 -0.02 -0.50 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.58 0.88 0.01 4.61 0.00 -1.20 -4.81 120.51 119.42 1mwb n ALA 114 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 1mwb n ALA 114 Cb 0.01 -2.52 0.30 0.00 0.00 0.00 0.00 19.45 17.25 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 12.55 0.50 -0.46 0.00 0.11 -1.93 -2.53 132.00 140.24 1mwb h PRO 115 Ca -0.23 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 1mwb h PRO 115 Cb 1.33 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1mwb h PRO 115 CO 1.08 0.54 0.15 0.00 -0.21 0.00 0.00 178.00 179.56 1mwb h ALA 116 N 1.51 0.60 -0.43 -0.75 0.00 -1.91 -2.02 119.26 116.25 1mwb h ALA 116 Ca 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 116 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1mwb h ALA 116 CO 0.01 0.24 0.18 1.25 0.00 0.00 0.00 179.25 180.94 1mwb h HIS 117 N 0.60 0.65 -0.62 0.00 6.17 -1.76 -2.58 115.15 117.61 1mwb h HIS 117 Ca 0.15 -0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.21 1mwb h HIS 117 Cb 0.25 -0.20 -0.03 0.00 2.52 0.00 0.00 27.41 29.95 1mwb h HIS 117 CO 0.01 0.55 0.41 0.87 0.71 0.00 0.00 177.93 180.48 1mwb h LYS 118 N 0.55 0.73 -0.79 5.26 1.57 -1.30 -1.94 116.57 120.65 1mwb h LYS 118 Ca 0.14 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1mwb h LYS 118 Cb 0.17 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 1mwb h LYS 118 CO -0.01 0.48 0.47 -0.09 -0.57 0.00 0.00 179.45 179.73 1mwb h ARG 119 N 0.75 0.82 -0.93 3.15 2.43 -0.95 0.13 114.38 119.78 1mwb h ARG 119 Ca 0.24 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1mwb h ARG 119 Cb 0.04 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 1mwb h ARG 119 CO -0.06 0.54 0.56 0.22 -1.51 0.00 0.00 179.97 179.72 1mwb h ASP 120 N 0.84 1.11 0.46 -3.80 3.58 -1.30 2.05 116.42 119.37 1mwb h ASP 120 Ca 0.35 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 1mwb h ASP 120 Cb 0.20 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1mwb h ASP 120 CO -0.19 0.85 -0.22 0.58 -2.88 0.00 0.00 179.24 177.39 1mwb h VAL 121 N 1.28 0.05 -0.35 2.25 2.07 -1.13 -3.34 116.25 117.07 1mwb h VAL 121 Ca 0.33 -0.55 -0.16 0.00 0.82 0.00 0.00 66.70 67.14 1mwb h VAL 121 Cb -0.05 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1mwb h VAL 121 CO -0.06 0.01 -0.40 -0.07 0.02 0.00 0.00 177.57 177.06 1mwb h LEU 122 N -1.15 0.93 -1.33 2.57 3.38 -0.78 -3.37 115.31 115.56 1mwb h LEU 122 Ca -0.06 -0.43 -0.44 0.00 0.09 0.00 0.00 57.88 57.03 1mwb h LEU 122 Cb 0.49 -0.26 0.03 0.00 0.09 0.00 0.00 40.66 41.01 1mwb h LEU 122 CO 0.10 1.21 -0.78 0.59 0.09 0.00 0.00 178.44 179.66 1mwb n ASN 123 N -4.05 -3.31 0.00 -0.43 3.02 0.69 -4.92 115.26 106.26 1mwb n ASN 123 Ca -0.02 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1mwb n ASN 123 Cb 0.55 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64