#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mud s GLY 0 N 0.00 2.23 0.23 5.00 0.00 -1.26 -4.69 107.32 108.83 3mud s GLY 0 Ca 0.00 -2.01 0.05 0.00 0.00 0.00 0.00 44.72 42.76 3mud s GLY 0 CO 0.00 -1.83 -0.04 -0.54 0.00 0.00 0.00 173.10 170.69 3mud s GLU 2 N -3.97 1.37 0.12 2.90 2.02 0.17 -5.00 118.70 116.32 3mud s GLU 2 Ca 0.43 -1.68 -0.09 0.00 0.02 0.00 0.00 54.97 53.65 3mud s GLU 2 Cb 0.01 -0.80 -0.00 0.00 0.10 0.00 0.00 34.13 33.44 3mud s GLU 2 CO 0.24 -0.02 0.25 -0.98 0.02 0.00 0.00 175.26 174.77 3mud s ARG 3 N -3.80 1.00 -0.02 1.61 1.70 -1.26 -1.29 118.95 116.89 3mud s ARG 3 Ca 0.27 -1.03 -0.00 0.00 -0.47 0.00 0.00 55.73 54.50 3mud s ARG 3 Cb 0.04 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.82 3mud s ARG 3 CO 0.09 -0.35 0.04 0.21 -1.08 0.00 0.00 175.30 174.21 3mud s LYS 4 N -3.90 -0.03 -0.17 3.89 2.47 0.49 -4.98 119.74 117.51 3mud s LYS 4 Ca 0.10 0.21 -0.05 0.00 -1.56 0.00 0.00 55.97 54.67 3mud s LYS 4 Cb 0.04 -0.25 -0.03 0.00 -1.46 0.00 0.00 37.83 36.13 3mud s LYS 4 CO -0.06 -0.17 0.01 0.42 0.16 0.00 0.00 175.35 175.70 3mud s ILE 5 N 1.10 4.25 0.05 5.43 1.01 -1.26 -1.09 121.20 130.69 3mud s ILE 5 Ca -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 3mud s ILE 5 Cb -0.13 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 3mud s ILE 5 CO -0.03 0.47 0.01 -0.94 0.00 0.00 0.00 174.94 174.45 3mud s SER 6 N 0.45 0.40 -0.05 3.58 1.04 0.07 -4.98 113.70 114.20 3mud s SER 6 Ca -0.01 -0.87 -0.14 0.00 0.48 0.00 0.00 55.95 55.41 3mud s SER 6 Cb -0.14 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 3mud s SER 6 CO 0.02 -0.58 0.38 -0.13 0.98 0.00 0.00 173.24 173.91 3mud s ARG 7 N -3.56 3.98 0.10 4.02 0.52 -1.26 -0.52 118.95 122.22 3mud s ARG 7 Ca 0.04 0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.58 3mud s ARG 7 Cb 0.05 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 3mud s ARG 7 CO -0.09 0.57 -0.05 0.96 0.02 0.00 0.00 175.30 176.71 3mud s ILE 8 N -0.64 0.60 -0.12 1.52 -4.36 -0.64 -4.93 121.20 112.63 3mud s ILE 8 Ca 0.22 -1.92 -0.00 0.00 -0.26 0.00 0.00 60.65 58.69 3mud s ILE 8 Cb -0.16 -1.71 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 3mud s ILE 8 CO 0.11 -0.84 -0.11 -1.00 0.24 0.00 0.00 174.94 173.34 3mud s HIS 9 N -3.69 2.85 0.29 1.37 3.76 -1.26 -1.27 115.29 117.34 3mud s HIS 9 Ca 0.13 -0.47 -0.26 0.00 -0.15 0.00 0.00 55.06 54.31 3mud s HIS 9 Cb 0.06 -1.83 -0.09 0.00 1.11 0.00 0.00 32.58 31.82 3mud s HIS 9 CO -0.05 -0.09 0.90 -0.51 -0.85 0.00 0.00 174.74 174.14 3mud s LEU 10 N 0.14 4.40 0.25 0.89 1.43 -1.26 -4.24 118.68 120.29 3mud s LEU 10 Ca -0.05 1.77 -0.03 0.00 -1.03 0.00 0.00 54.13 54.79 3mud s LEU 10 Cb -0.15 -3.85 0.49 0.00 0.03 0.00 0.00 46.19 42.71 3mud s LEU 10 CO 0.04 -0.00 1.74 0.58 0.23 0.00 0.00 176.35 178.94 3mud h VAL 11 N 2.75 0.67 0.00 -1.59 2.07 -1.22 -2.24 116.25 116.68 3mud h VAL 11 Ca -0.47 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3mud h VAL 11 Cb 1.19 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3mud h VAL 11 CO 0.65 0.09 0.00 0.77 0.02 0.00 0.00 177.57 179.10 3mud h SER 12 N 0.49 0.00 -2.11 0.57 4.64 -1.90 -3.36 113.55 111.87 3mud h SER 12 Ca 0.43 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.19 3mud h SER 12 Cb 0.65 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.33 3mud h SER 12 CO -0.40 0.00 -0.87 -0.62 -0.87 0.00 0.00 176.83 174.07 3mud n GLU 13 N -3.06 1.80 0.26 4.77 1.02 -0.85 -4.96 120.64 119.62 3mud n GLU 13 Ca 0.03 -4.02 0.13 0.00 -0.02 0.00 0.00 57.16 53.28 3mud n GLU 13 Cb 0.47 -1.82 0.71 0.00 -0.02 0.00 0.00 31.44 30.78 3mud n GLU 13 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3mud h PRO 14 N 3.72 0.00 0.00 3.49 0.13 -1.69 -3.11 132.00 134.55 3mud h PRO 14 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3mud h PRO 14 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3mud h PRO 14 CO 0.66 0.12 -0.13 -1.13 -0.23 0.00 0.00 178.00 177.29 3mud n SER 15 N -3.55 0.14 -4.36 1.44 3.41 -1.26 -4.87 113.62 104.57 3mud n SER 15 Ca -0.01 0.31 -0.19 0.00 -0.26 0.00 0.00 58.87 58.72 3mud n SER 15 Cb 0.26 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 63.80 3mud n SER 15 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3mud s ILE 16 N -3.00 1.69 -0.18 -1.33 -4.36 -1.17 -5.13 121.20 107.72 3mud s ILE 16 Ca 0.13 -2.19 -0.15 0.00 -0.26 0.00 0.00 60.65 58.19 3mud s ILE 16 Cb 0.19 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.73 3mud s ILE 16 CO 0.57 -0.54 0.34 -0.89 0.24 0.00 0.00 174.94 174.66 3mud s THR 17 N -3.00 5.26 0.32 8.37 2.01 -1.26 -4.62 115.64 122.72 3mud s THR 17 Ca 0.24 0.62 0.07 0.00 0.31 0.00 0.00 61.69 62.92 3mud s THR 17 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3mud s THR 17 CO 0.08 0.33 0.37 -1.00 -0.69 0.00 0.00 174.62 173.71 3mud s HIS 18 N 0.80 3.08 -0.05 4.92 3.76 -0.39 -4.86 115.29 122.55 3mud s HIS 18 Ca 0.18 -0.22 0.05 0.00 -0.15 0.00 0.00 55.06 54.92 3mud s HIS 18 Cb -0.14 -1.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.71 3mud s HIS 18 CO 0.06 0.15 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.83 3mud s PHE 19 N -2.19 2.52 -0.17 1.40 0.08 -0.33 -1.62 117.98 117.67 3mud s PHE 19 Ca 0.41 -0.48 -0.06 0.00 0.12 0.00 0.00 56.93 56.93 3mud s PHE 19 Cb -0.08 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 3mud s PHE 19 CO 0.29 -0.05 0.02 -0.51 -0.10 0.00 0.00 175.22 174.86 3mud s LEU 20 N -0.39 3.57 -0.19 -0.37 1.43 0.32 -1.48 118.68 121.58 3mud s LEU 20 Ca 0.04 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3mud s LEU 20 Cb -0.12 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.24 3mud s LEU 20 CO 0.02 0.18 -0.18 -1.58 0.23 0.00 0.00 176.35 175.02 3mud s GLN 21 N 0.34 2.76 -0.08 1.70 0.74 0.14 -0.75 119.66 124.51 3mud s GLN 21 Ca 0.00 -0.86 0.05 0.00 0.05 0.00 0.00 55.36 54.60 3mud s GLN 21 Cb -0.13 -2.54 -0.00 0.00 1.10 0.00 0.00 33.01 31.43 3mud s GLN 21 CO 0.01 -0.27 -0.24 0.08 -0.55 0.00 0.00 175.29 174.33 3mud s VAL 22 N 1.30 1.99 0.03 1.34 1.01 -0.25 0.08 120.40 125.89 3mud s VAL 22 Ca 0.03 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3mud s VAL 22 Cb -0.14 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3mud s VAL 22 CO -0.11 0.55 -0.09 -0.94 0.00 0.00 0.00 175.10 174.51 3mud s SER 23 N 0.11 1.01 0.29 3.32 1.04 -0.20 -0.38 113.70 118.89 3mud s SER 23 Ca -0.11 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 55.82 3mud s SER 23 Cb -0.16 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 65.93 3mud s SER 23 CO 0.06 -0.05 0.54 -1.66 0.98 0.00 0.00 173.24 173.11 3mud s TRP 24 N -0.83 0.42 -0.18 5.02 -2.14 -0.41 -0.82 118.94 120.00 3mud s TRP 24 Ca -0.03 -0.81 -0.14 0.00 2.66 0.00 0.00 56.10 57.77 3mud s TRP 24 Cb -0.07 0.27 -0.08 0.00 -3.10 0.00 0.00 33.47 30.50 3mud s TRP 24 CO 0.00 -1.13 -0.18 -1.91 -2.66 0.00 0.00 176.95 171.08 3mud n GLU 25 N -0.45 0.51 0.00 3.25 4.07 -1.26 -0.65 120.64 126.11 3mud n GLU 25 Ca -0.02 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 3mud n GLU 25 Cb 0.61 -1.61 0.00 0.00 -0.06 0.00 0.00 31.44 30.39 3mud n GLU 25 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3mud n LYS 26 N -4.50 0.00 -4.15 5.31 5.02 -1.26 -4.35 118.16 114.24 3mud n LYS 26 Ca -0.19 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.96 3mud n LYS 26 Cb 0.49 -0.32 -0.11 0.00 -0.02 0.00 0.00 35.03 35.07 3mud n LYS 26 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3mud s THR 27 N -1.88 0.84 0.43 -0.18 -1.32 -1.26 -5.04 115.64 107.23 3mud s THR 27 Ca 0.00 -1.52 0.12 0.00 -1.21 0.00 0.00 61.69 59.09 3mud s THR 27 Cb 0.00 -1.20 0.18 0.00 -1.51 0.00 0.00 72.50 69.97 3mud s THR 27 CO 0.00 -0.52 1.97 0.25 -2.21 0.00 0.00 174.62 174.11 3mud h LEU 28 N 3.77 0.10 -1.50 9.08 5.85 -1.97 -3.02 115.31 127.61 3mud h LEU 28 Ca -0.37 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.45 3mud h LEU 28 Cb 1.19 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3mud h LEU 28 CO 0.50 0.25 0.48 -0.08 -0.34 0.00 0.00 178.44 179.25 3mud h GLU 29 N 0.10 0.52 -0.10 1.25 4.81 -1.96 -1.27 114.58 117.94 3mud h GLU 29 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3mud h GLU 29 Cb 0.31 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3mud h GLU 29 CO 0.02 0.35 0.00 -1.13 -0.73 0.00 0.00 179.01 177.51 3mud n SER 30 N -4.49 0.58 0.00 1.04 3.41 -1.14 -4.42 113.62 108.60 3mud n SER 30 Ca 0.13 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 3mud n SER 30 Cb 0.41 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3mud n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mud n GLY 31 N 0.72 2.82 3.36 5.00 0.00 -0.48 -4.09 105.19 112.53 3mud n GLY 31 Ca 0.06 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 3mud n GLY 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mud s PHE 32 N -2.86 -0.35 -0.17 1.61 -0.12 -0.71 -4.51 117.98 110.88 3mud s PHE 32 Ca 0.00 0.08 -0.07 0.00 -0.05 0.00 0.00 56.93 56.89 3mud s PHE 32 Cb 0.00 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 3mud s PHE 32 CO 0.00 -0.77 0.06 0.08 -0.05 0.00 0.00 175.22 174.54 3mud s VAL 33 N -3.78 4.79 -0.09 -2.49 1.01 0.00 -0.75 120.40 119.09 3mud s VAL 33 Ca 0.02 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3mud s VAL 33 Cb 0.01 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3mud s VAL 33 CO -0.12 0.49 -0.21 -0.51 0.00 0.00 0.00 175.10 174.75 3mud s ILE 34 N 0.12 1.81 -0.07 2.22 2.07 0.02 -1.04 121.20 126.33 3mud s ILE 34 Ca 0.05 -0.87 0.05 0.00 -1.41 0.00 0.00 60.65 58.47 3mud s ILE 34 Cb -0.12 -1.58 -0.00 0.00 0.13 0.00 0.00 42.46 40.88 3mud s ILE 34 CO 0.01 0.50 -0.22 -0.89 -1.91 0.00 0.00 174.94 172.43 3mud s THR 35 N 0.45 1.83 -0.10 4.00 2.01 0.11 -0.99 115.64 122.94 3mud s THR 35 Ca -0.17 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 3mud s THR 35 Cb -0.17 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 3mud s THR 35 CO 0.07 0.51 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.27 3mud s LEU 36 N 0.08 3.39 -0.00 4.42 2.96 0.16 0.28 118.68 129.98 3mud s LEU 36 Ca -0.08 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3mud s LEU 36 Cb -0.14 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 3mud s LEU 36 CO 0.05 0.31 0.06 0.28 -1.32 0.00 0.00 176.35 175.73 3mud s THR 37 N -0.48 0.07 -0.80 3.68 -1.32 -0.55 -0.73 115.64 115.51 3mud s THR 37 Ca 0.08 -0.55 0.15 0.00 -1.21 0.00 0.00 61.69 60.16 3mud s THR 37 Cb -0.12 -0.28 0.51 0.00 -1.51 0.00 0.00 72.50 71.10 3mud s THR 37 CO 0.02 -0.30 1.43 -0.90 -2.21 0.00 0.00 174.62 172.66 3mud n ASP 38 N 2.00 3.82 0.00 8.08 5.68 -1.19 -1.19 116.55 133.75 3mud n ASP 38 Ca -0.20 -2.44 0.00 0.00 -0.50 0.00 0.00 54.79 51.66 3mud n ASP 38 Cb 0.57 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3mud n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mud n GLY 39 N 0.44 0.70 1.78 6.12 0.00 -1.26 -4.80 105.19 108.17 3mud n GLY 39 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3mud n GLY 39 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3mud n HIS 40 N -2.57 -0.25 -3.70 1.61 -0.00 -1.26 -5.09 115.22 103.96 3mud n HIS 40 Ca 0.00 0.04 -0.20 0.00 -0.00 0.00 0.00 57.72 57.56 3mud n HIS 40 Cb 0.00 0.40 -0.03 0.00 -0.00 0.00 0.00 29.99 30.36 3mud n HIS 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3mud s SER 41 N -5.03 5.49 0.01 0.26 0.01 -1.26 -4.63 113.70 108.56 3mud s SER 41 Ca 0.00 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.86 3mud s SER 41 Cb 0.00 -1.04 -0.01 0.00 0.21 0.00 0.00 66.02 65.18 3mud s SER 41 CO 0.00 -0.38 -0.03 0.00 0.41 0.00 0.00 173.24 173.24 3mud s ALA 42 N -2.27 0.18 -0.08 1.44 0.00 -1.26 -3.19 121.76 116.59 3mud s ALA 42 Ca 0.42 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.07 3mud s ALA 42 Cb -0.07 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3mud s ALA 42 CO 0.28 -0.04 -0.14 -1.58 0.00 0.00 0.00 175.76 174.28 3mud s TRP 43 N -0.71 1.66 -0.01 0.00 0.51 0.09 -0.87 118.94 119.61 3mud s TRP 43 Ca -0.07 -0.66 0.05 0.00 -2.12 0.00 0.00 56.10 53.31 3mud s TRP 43 Cb -0.05 -1.20 -0.01 0.00 -0.81 0.00 0.00 33.47 31.39 3mud s TRP 43 CO -0.00 -0.33 -0.17 0.99 -0.51 0.00 0.00 176.95 176.93 3mud s THR 44 N 0.71 1.32 0.07 2.01 2.01 0.45 -0.66 115.64 121.54 3mud s THR 44 Ca -0.13 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 3mud s THR 44 Cb -0.16 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 3mud s THR 44 CO 0.03 0.35 0.05 -0.83 -0.69 0.00 0.00 174.62 173.54 3mud s GLY 45 N -0.45 0.41 -0.10 4.40 0.00 -0.16 -1.00 107.32 110.42 3mud s GLY 45 Ca 0.06 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.77 3mud s GLY 45 CO -0.00 -1.15 -0.21 -1.59 0.00 0.00 0.00 173.10 170.15 3mud s THR 46 N -3.92 1.83 -0.15 0.90 2.01 -1.26 -0.80 115.64 114.25 3mud s THR 46 Ca 0.08 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 3mud s THR 46 Cb 0.07 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 3mud s THR 46 CO -0.09 0.51 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.60 3mud s VAL 47 N 0.55 3.68 0.35 3.82 1.01 0.07 -5.01 120.40 124.87 3mud s VAL 47 Ca -0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 3mud s VAL 47 Cb -0.17 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3mud s VAL 47 CO 0.05 0.50 0.58 -0.94 0.00 0.00 0.00 175.10 175.30 3mud s SER 48 N 0.32 6.32 0.24 3.32 1.04 -1.26 -1.74 113.70 121.94 3mud s SER 48 Ca -0.05 0.58 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 3mud s SER 48 Cb -0.15 -2.09 0.41 0.00 0.10 0.00 0.00 66.02 64.30 3mud s SER 48 CO 0.04 -0.31 1.78 -0.08 0.98 0.00 0.00 173.24 175.65 3mud h GLU 49 N 0.90 0.64 -0.72 4.02 4.81 -1.77 -2.12 114.58 120.34 3mud h GLU 49 Ca -0.49 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 3mud h GLU 49 Cb 1.21 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 3mud h GLU 49 CO 0.63 0.42 0.25 1.03 -0.73 0.00 0.00 179.01 180.61 3mud h SER 50 N 0.66 1.02 -0.78 1.04 0.87 -1.94 -2.19 113.55 112.24 3mud h SER 50 Ca 0.40 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 3mud h SER 50 Cb 0.45 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3mud h SER 50 CO -0.29 0.94 0.28 -0.33 -0.53 0.00 0.00 176.83 176.90 3mud h GLU 51 N 1.04 1.19 -0.34 2.24 5.08 -1.82 -1.14 114.58 120.83 3mud h GLU 51 Ca 0.23 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3mud h GLU 51 Cb 0.27 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3mud h GLU 51 CO -0.01 0.98 0.15 0.82 -1.00 0.00 0.00 179.01 179.95 3mud h ILE 52 N 1.15 1.17 -0.72 3.13 2.04 -1.11 -2.02 117.51 121.15 3mud h ILE 52 Ca 0.26 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 3mud h ILE 52 Cb 0.26 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3mud h ILE 52 CO -0.02 0.18 0.24 0.28 0.00 0.00 0.00 178.15 178.84 3mud h SER 53 N 0.40 1.03 -0.48 1.72 0.02 -1.28 -1.90 113.55 113.06 3mud h SER 53 Ca 0.11 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3mud h SER 53 Cb 0.14 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3mud h SER 53 CO -0.01 0.95 0.27 -0.61 -1.14 0.00 0.00 176.83 176.29 3mud h GLN 54 N 1.05 0.67 0.03 3.45 5.75 -1.11 -1.43 115.11 123.53 3mud h GLN 54 Ca 0.23 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3mud h GLN 54 Cb 0.28 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.69 3mud h GLN 54 CO -0.01 0.51 -0.02 1.49 -2.65 0.00 0.00 178.83 178.16 3mud h GLU 55 N 0.64 -0.04 -0.84 1.69 4.57 -1.15 0.85 114.58 120.30 3mud h GLU 55 Ca 0.17 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.46 3mud h GLU 55 Cb 0.04 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.56 3mud h GLU 55 CO -0.03 -0.01 0.48 0.00 -1.18 0.00 0.00 179.01 178.27 3mud h ALA 56 N 0.90 1.22 -0.10 2.92 0.00 -1.25 -1.09 119.26 121.85 3mud h ALA 56 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mud h ALA 56 Cb 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3mud h ALA 56 CO 0.01 0.09 0.04 0.22 0.00 0.00 0.00 179.25 179.60 3mud h ASP 57 N 0.79 0.14 -0.30 0.00 3.58 -0.92 0.58 116.42 120.30 3mud h ASP 57 Ca 0.41 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 3mud h ASP 57 Cb 0.41 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 3mud h ASP 57 CO -0.26 0.29 0.10 0.44 -2.88 0.00 0.00 179.24 176.93 3mud h ASP 58 N -0.01 0.49 -0.10 2.28 3.45 -0.15 -1.56 116.42 120.81 3mud h ASP 58 Ca 0.03 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.43 3mud h ASP 58 Cb 0.19 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3mud h ASP 58 CO -0.00 0.48 0.00 0.23 -1.57 0.00 0.00 179.24 178.38 3mud n MET 59 N -4.35 1.52 -4.02 3.56 2.81 -0.48 -4.93 117.12 111.23 3mud n MET 59 Ca 0.02 -0.78 -0.31 0.00 -1.81 0.00 0.00 57.70 54.82 3mud n MET 59 Cb 0.18 -1.38 -0.00 0.00 -0.71 0.00 0.00 33.22 31.30 3mud n MET 59 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mud n ALA 60 N -0.01 -1.47 -2.75 3.04 0.00 -0.59 -4.98 120.51 113.74 3mud n ALA 60 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 3mud n ALA 60 Cb 0.26 -3.35 -0.13 0.00 0.00 0.00 0.00 19.45 16.24 3mud n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3mud s MET 61 N -6.67 3.03 0.24 0.00 0.00 0.16 -5.04 119.30 111.03 3mud s MET 61 Ca 0.51 -0.61 -0.31 0.00 0.00 0.00 0.00 55.69 55.28 3mud s MET 61 Cb -0.27 -2.62 -0.13 0.00 0.00 0.00 0.00 34.83 31.81 3mud s MET 61 CO 0.88 0.46 1.41 -1.91 0.00 0.00 0.00 175.02 175.86 3mud n GLU 62 N 2.82 2.05 -0.07 4.11 0.00 -1.26 -4.42 120.64 123.87 3mud n GLU 62 Ca -0.18 0.73 -0.08 0.00 0.00 0.00 0.00 57.16 57.64 3mud n GLU 62 Cb 0.53 -2.39 -0.01 0.00 0.00 0.00 0.00 31.44 29.56 3mud n GLU 62 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3mud h LYS 63 N 4.21 -0.22 -0.83 5.31 1.63 -1.98 -0.45 116.57 124.23 3mud h LYS 63 Ca -0.45 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.40 3mud h LYS 63 Cb 1.27 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.90 3mud h LYS 63 CO 0.76 -0.15 0.54 0.78 -3.45 0.00 0.00 179.45 177.93 3mud h GLY 64 N -0.23 1.21 0.98 5.01 0.00 -1.99 -0.76 103.07 107.29 3mud h GLY 64 Ca 0.15 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3mud h GLY 64 CO -0.43 0.35 0.22 1.70 0.00 0.00 0.00 176.54 178.39 3mud h LYS 65 N 1.05 0.51 -0.39 4.80 3.64 -1.68 -0.85 116.57 123.65 3mud h LYS 65 Ca 0.33 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3mud h LYS 65 Cb 0.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3mud h LYS 65 CO -0.11 0.39 0.15 -0.92 -2.27 0.00 0.00 179.45 176.68 3mud h TYR 66 N 0.49 0.61 -0.96 1.91 3.20 -0.47 -0.61 116.97 121.13 3mud h TYR 66 Ca 0.13 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.98 3mud h TYR 66 Cb 0.01 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.05 3mud h TYR 66 CO -0.03 0.55 0.63 0.28 -1.64 0.00 0.00 178.16 177.95 3mud h VAL 67 N 0.49 1.18 -0.65 1.81 2.07 -1.09 -0.72 116.25 119.33 3mud h VAL 67 Ca 0.13 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.25 3mud h VAL 67 Cb 0.21 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 3mud h VAL 67 CO -0.01 0.23 0.40 1.23 0.02 0.00 0.00 177.57 179.44 3mud h GLY 68 N 1.23 0.93 1.02 2.17 0.00 -0.62 -0.65 103.07 107.14 3mud h GLY 68 Ca 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3mud h GLY 68 CO -0.12 0.26 0.46 0.83 0.00 0.00 0.00 176.54 177.97 3mud h GLU 69 N 0.79 1.15 -0.50 4.80 4.39 -0.31 -1.44 114.58 123.46 3mud h GLU 69 Ca 0.26 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 3mud h GLU 69 Cb 0.01 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 3mud h GLU 69 CO -0.10 0.84 0.21 -0.07 -1.16 0.00 0.00 179.01 178.73 3mud h LEU 70 N 1.15 0.69 -0.39 1.33 3.38 -0.72 -1.25 115.31 119.50 3mud h LEU 70 Ca 0.29 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3mud h LEU 70 Cb 0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3mud h LEU 70 CO -0.05 0.66 0.18 0.03 0.09 0.00 0.00 178.44 179.35 3mud h ARG 71 N 0.67 0.36 -0.30 1.13 3.08 -0.85 0.68 114.38 119.15 3mud h ARG 71 Ca 0.17 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 3mud h ARG 71 Cb 0.18 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3mud h ARG 71 CO -0.02 0.24 -0.01 0.87 -1.07 0.00 0.00 179.97 179.98 3mud h LYS 72 N 0.37 0.53 -0.30 0.04 1.57 -1.08 -0.53 116.57 117.17 3mud h LYS 72 Ca 0.17 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3mud h LYS 72 Cb 0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3mud h LYS 72 CO -0.13 0.68 -0.22 0.00 -0.57 0.00 0.00 179.45 179.21 3mud h ALA 73 N 0.83 0.43 0.00 3.86 0.00 -1.13 -0.19 119.26 123.06 3mud h ALA 73 Ca 0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3mud h ALA 73 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3mud h ALA 73 CO 0.02 0.39 -1.90 1.28 0.00 0.00 0.00 179.25 179.04 3mud n LEU 74 N -4.32 0.12 -0.93 0.00 4.77 0.22 -4.23 117.00 112.63 3mud n LEU 74 Ca -0.03 0.05 0.03 0.00 -0.03 0.00 0.00 56.01 56.03 3mud n LEU 74 Cb 0.43 0.03 0.22 0.00 -2.33 0.00 0.00 43.42 41.77 3mud n LEU 74 CO 0.44 0.02 0.69 0.18 -1.33 0.00 0.00 177.39 177.39 3mud n LEU 75 N -2.36 3.85 -3.60 2.23 4.77 -0.21 -4.84 117.00 116.83 3mud n LEU 75 Ca -0.06 -3.35 -0.22 0.00 -0.03 0.00 0.00 56.01 52.36 3mud n LEU 75 Cb 0.62 -0.57 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3mud n LEU 75 CO 0.45 0.93 -0.04 -0.24 -1.33 0.00 0.00 177.39 177.16 3mud n SER 76 N -0.87 -2.77 -0.25 -1.43 2.88 -1.21 -4.93 113.62 105.04 3mud n SER 76 Ca 0.26 -0.82 0.08 0.00 -1.33 0.00 0.00 58.87 57.06 3mud n SER 76 Cb 0.93 -4.21 0.13 0.00 -0.75 0.00 0.00 64.21 60.31 3mud n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mud n GLY 77 N -1.50 4.20 3.74 0.46 0.00 -0.10 -5.04 105.19 106.95 3mud n GLY 77 Ca -0.23 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 3mud n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mud n ALA 78 N -1.13 2.62 -2.34 4.61 0.00 -1.11 -4.67 120.51 118.48 3mud n ALA 78 Ca 0.14 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.74 3mud n ALA 78 Cb 0.67 -2.48 0.15 0.00 0.00 0.00 0.00 19.45 17.79 3mud n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mud n GLY 79 N 2.58 -0.13 0.37 0.00 0.00 -1.26 -4.93 105.19 101.82 3mud n GLY 79 Ca 0.10 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.28 3mud n GLY 79 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mud h PRO 80 N 0.00 0.86 -0.07 1.61 0.11 -2.07 -0.70 132.00 131.74 3mud h PRO 80 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3mud h PRO 80 Cb 1.17 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3mud h PRO 80 CO 0.33 0.57 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 3mud n ALA 81 N -2.41 2.56 -2.59 -0.75 0.00 -1.26 -4.84 120.51 111.22 3mud n ALA 81 Ca 0.15 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 3mud n ALA 81 Cb 0.31 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 3mud n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mud s ASP 82 N -1.82 6.07 -0.25 0.00 1.01 -0.27 -5.01 116.67 116.41 3mud s ASP 82 Ca 0.36 -1.00 0.01 0.00 0.71 0.00 0.00 52.55 52.63 3mud s ASP 82 Cb 0.19 -2.15 0.04 0.00 1.01 0.00 0.00 42.92 42.02 3mud s ASP 82 CO 0.30 -0.48 -0.10 -0.69 0.21 0.00 0.00 175.17 174.42 3mud s VAL 83 N 1.65 2.45 -0.08 -1.27 1.01 -1.26 -4.59 120.40 118.31 3mud s VAL 83 Ca 0.04 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.72 3mud s VAL 83 Cb -0.20 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3mud s VAL 83 CO 0.09 0.12 -0.09 -0.31 0.00 0.00 0.00 175.10 174.91 3mud s TYR 84 N 1.21 2.88 -0.02 5.22 2.02 -1.26 -0.27 117.35 127.13 3mud s TYR 84 Ca -0.04 -0.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.62 3mud s TYR 84 Cb -0.18 -1.73 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 3mud s TYR 84 CO -0.06 0.21 -0.20 0.95 -1.57 0.00 0.00 175.55 174.88 3mud s THR 85 N -0.58 2.57 -0.03 -0.71 -4.23 -0.60 -4.99 115.64 107.07 3mud s THR 85 Ca 0.08 -0.99 0.07 0.00 -1.18 0.00 0.00 61.69 59.67 3mud s THR 85 Cb -0.12 -1.98 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 3mud s THR 85 CO 0.02 0.53 -0.24 -0.36 -0.54 0.00 0.00 174.62 174.03 3mud s PHE 86 N -0.72 2.42 -0.02 3.99 0.40 -1.26 -1.63 117.98 121.15 3mud s PHE 86 Ca 0.11 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 3mud s PHE 86 Cb -0.10 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 41.89 3mud s PHE 86 CO 0.01 -0.04 -0.06 -0.80 0.70 0.00 0.00 175.22 175.03 3mud s ASN 87 N -0.53 0.92 -0.11 1.36 0.01 0.17 -0.55 114.94 116.21 3mud s ASN 87 Ca 0.07 -0.14 -0.05 0.00 -0.71 0.00 0.00 52.86 52.04 3mud s ASN 87 Cb -0.11 -0.27 0.05 0.00 0.41 0.00 0.00 41.25 41.33 3mud s ASN 87 CO 0.00 0.03 0.25 0.12 -1.51 0.00 0.00 177.10 175.98 3mud s PHE 88 N 0.32 -0.33 -0.23 2.20 5.36 -1.26 -1.09 117.98 122.95 3mud s PHE 88 Ca -0.04 0.79 -0.13 0.00 -0.96 0.00 0.00 56.93 56.59 3mud s PHE 88 Cb -0.08 0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.60 3mud s PHE 88 CO 0.00 -0.24 0.28 0.45 -1.46 0.00 0.00 175.22 174.25 3mud s SER 89 N 1.29 6.26 0.00 6.13 0.15 -0.90 -4.89 113.70 121.74 3mud s SER 89 Ca -0.09 0.29 0.30 0.00 0.70 0.00 0.00 55.95 57.15 3mud s SER 89 Cb -0.10 -2.17 1.60 0.00 -1.71 0.00 0.00 66.02 63.64 3mud s SER 89 CO -0.09 -0.02 2.08 0.29 1.20 0.00 0.00 173.24 176.71 3mud n LYS 90 N 4.48 0.56 -0.07 5.44 5.02 -1.26 -0.31 118.16 132.02 3mud n LYS 90 Ca -0.12 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.10 3mud n LYS 90 Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 3mud n LYS 90 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3mud h GLU 91 N 0.00 0.00 0.00 1.97 5.08 -1.98 -3.40 114.58 116.25 3mud h GLU 91 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mud h GLU 91 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3mud h GLU 91 CO 0.00 0.32 -0.69 0.66 -1.00 0.00 0.00 179.01 178.30 3mud h SER 92 N -1.00 0.00 -1.52 1.42 4.64 -2.00 -3.47 113.55 111.62 3mud h SER 92 Ca -0.07 -0.08 -0.36 0.00 -0.47 0.00 0.00 61.79 60.81 3mud h SER 92 Cb 0.59 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.59 3mud h SER 92 CO -0.04 0.04 -0.38 0.00 -0.87 0.00 0.00 176.83 175.58 3mud s TYR 94 N -2.75 3.33 -0.14 0.00 5.04 -1.23 -0.64 117.35 120.96 3mud s TYR 94 Ca 0.00 1.08 -0.04 0.00 -2.44 0.00 0.00 57.07 55.67 3mud s TYR 94 Cb 0.00 -2.98 -0.03 0.00 0.35 0.00 0.00 41.96 39.30 3mud s TYR 94 CO 0.00 -0.33 0.00 0.12 -1.34 0.00 0.00 175.55 174.00 3mud s PHE 95 N 2.55 3.13 -0.00 4.97 2.19 0.16 -2.12 117.98 128.86 3mud s PHE 95 Ca 0.33 -0.03 -0.12 0.00 0.33 0.00 0.00 56.93 57.44 3mud s PHE 95 Cb -0.16 -1.94 0.01 0.00 -1.31 0.00 0.00 43.02 39.63 3mud s PHE 95 CO 0.09 0.18 0.24 -0.59 1.83 0.00 0.00 175.22 176.97 3mud s PHE 96 N -0.05 -0.09 0.02 10.12 -0.12 -0.25 0.07 117.98 127.68 3mud s PHE 96 Ca 0.03 0.08 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 3mud s PHE 96 Cb -0.13 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 3mud s PHE 96 CO 0.02 -0.36 -0.04 -0.59 -0.05 0.00 0.00 175.22 174.20 3mud s PHE 97 N -1.47 0.32 0.13 3.49 -0.71 -0.55 -0.65 117.98 118.53 3mud s PHE 97 Ca -0.13 -0.40 0.08 0.00 -1.04 0.00 0.00 56.93 55.44 3mud s PHE 97 Cb -0.06 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 3mud s PHE 97 CO 0.03 -0.12 -0.19 -1.21 -1.34 0.00 0.00 175.22 172.39 3mud s GLU 98 N -1.13 1.17 -0.14 1.99 2.02 -0.65 -0.61 118.70 121.35 3mud s GLU 98 Ca -0.11 -1.27 -0.09 0.00 0.02 0.00 0.00 54.97 53.52 3mud s GLU 98 Cb -0.08 -1.31 -0.05 0.00 0.10 0.00 0.00 34.13 32.80 3mud s GLU 98 CO -0.00 0.28 0.17 0.21 0.02 0.00 0.00 175.26 175.94 3mud s LYS 99 N -2.35 3.82 -0.23 1.61 2.20 0.16 -1.56 119.74 123.39 3mud s LYS 99 Ca 0.10 -0.10 -0.06 0.00 -0.36 0.00 0.00 55.97 55.55 3mud s LYS 99 Cb -0.08 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 3mud s LYS 99 CO 0.05 0.55 0.04 -0.80 -0.36 0.00 0.00 175.35 174.83 3mud s ASN 100 N -0.39 5.07 0.19 1.43 0.01 0.63 -1.45 114.94 120.42 3mud s ASN 100 Ca 0.13 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 52.12 3mud s ASN 100 Cb -0.12 -1.89 0.02 0.00 0.41 0.00 0.00 41.25 39.67 3mud s ASN 100 CO 0.03 0.02 0.16 0.18 -1.51 0.00 0.00 177.10 175.98 3mud n LEU 101 N 4.55 0.00 -0.05 0.60 4.77 0.84 -4.42 117.00 123.29 3mud n LEU 101 Ca -0.17 -0.94 -0.01 0.00 -0.03 0.00 0.00 56.01 54.86 3mud n LEU 101 Cb 0.52 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3mud n LEU 101 CO 0.31 -0.40 0.50 0.50 -1.33 0.00 0.00 177.39 176.97 3mud h LYS 102 N 0.00 -0.00 0.00 3.23 3.64 -1.99 -3.31 116.57 118.13 3mud h LYS 102 Ca -0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3mud h LYS 102 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3mud h LYS 102 CO 0.17 -0.00 -1.20 -0.25 -2.27 0.00 0.00 179.45 175.90 3mud n ASP 103 N -3.28 2.01 -4.34 4.20 9.92 -1.26 -5.06 116.55 118.73 3mud n ASP 103 Ca 0.00 -0.21 -0.17 0.00 -0.53 0.00 0.00 54.79 53.88 3mud n ASP 103 Cb 0.03 1.35 -0.10 0.00 -0.64 0.00 0.00 41.12 41.76 3mud n ASP 103 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3mud s VAL 104 N -2.52 0.73 0.17 2.53 -7.23 -1.25 -5.17 120.40 107.66 3mud s VAL 104 Ca -0.02 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.21 3mud s VAL 104 Cb 0.07 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 3mud s VAL 104 CO 0.43 -0.04 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.62 3mud s SER 105 N -3.35 2.16 0.02 4.85 0.01 -1.26 -0.11 113.70 116.02 3mud s SER 105 Ca 0.37 -0.98 0.01 0.00 1.31 0.00 0.00 55.95 56.65 3mud s SER 105 Cb 0.08 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 3mud s SER 105 CO 0.13 -0.23 -0.04 0.72 0.41 0.00 0.00 173.24 174.23 3mud s PHE 106 N -2.99 0.33 0.00 2.43 -0.12 -0.53 -4.98 117.98 112.13 3mud s PHE 106 Ca 0.18 -0.35 -0.30 0.00 -0.05 0.00 0.00 56.93 56.41 3mud s PHE 106 Cb -0.00 -0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.12 3mud s PHE 106 CO 0.04 -0.10 1.28 0.50 -0.05 0.00 0.00 175.22 176.89 3mud s ARG 107 N -1.00 4.34 -0.13 1.99 3.52 -1.26 -0.67 118.95 125.75 3mud s ARG 107 Ca -0.09 1.82 0.16 0.00 -0.13 0.00 0.00 55.73 57.50 3mud s ARG 107 Cb -0.07 -3.50 -0.24 0.00 -1.56 0.00 0.00 34.95 29.59 3mud s ARG 107 CO -0.00 -0.45 0.16 -0.11 -0.81 0.00 0.00 175.30 174.09 3mud n LEU 108 N 4.90 0.00 -3.57 -0.88 7.94 0.22 -4.90 117.00 120.71 3mud n LEU 108 Ca 0.11 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.95 3mud n LEU 108 Cb 0.45 0.30 -0.02 0.00 0.53 0.00 0.00 43.42 44.69 3mud n LEU 108 CO 0.57 0.30 0.79 -0.83 -1.11 0.00 0.00 177.39 177.11 3mud s GLY 109 N -4.86 -0.39 -0.11 -3.96 0.00 -1.14 -5.00 107.32 91.86 3mud s GLY 109 Ca -0.08 0.99 -0.09 0.00 0.00 0.00 0.00 44.72 45.54 3mud s GLY 109 CO 0.73 0.31 0.28 -0.56 0.00 0.00 0.00 173.10 173.87 3mud s SER 110 N -2.52 -0.30 0.01 1.64 0.01 -1.26 -1.49 113.70 109.79 3mud s SER 110 Ca 0.08 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.92 3mud s SER 110 Cb -0.01 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.76 3mud s SER 110 CO -0.06 -0.12 -0.02 -0.36 0.41 0.00 0.00 173.24 173.08 3mud s PHE 111 N 0.53 0.20 -0.24 2.43 2.99 0.11 -4.99 117.98 119.02 3mud s PHE 111 Ca -0.03 -0.39 -0.17 0.00 0.00 0.00 0.00 56.93 56.35 3mud s PHE 111 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 43.02 42.80 3mud s PHE 111 CO -0.03 -0.14 0.45 -0.80 -0.00 0.00 0.00 175.22 174.70 3mud s ASN 112 N -1.06 6.41 -0.32 1.36 0.01 -1.26 0.37 114.94 120.45 3mud s ASN 112 Ca -0.12 0.49 0.03 0.00 -0.71 0.00 0.00 52.86 52.56 3mud s ASN 112 Cb -0.07 -2.25 0.09 0.00 0.41 0.00 0.00 41.25 39.42 3mud s ASN 112 CO -0.01 -0.18 0.02 -0.76 -1.51 0.00 0.00 177.10 174.66 3mud s LEU 113 N 1.86 4.43 0.22 0.60 1.43 0.19 -4.43 118.68 122.97 3mud s LEU 113 Ca 0.20 -1.92 -0.30 0.00 -1.03 0.00 0.00 54.13 51.07 3mud s LEU 113 Cb -0.15 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 3mud s LEU 113 CO 0.09 -0.34 1.37 -1.61 0.23 0.00 0.00 176.35 176.09 3mud s GLU 114 N 0.98 4.33 0.15 1.70 2.02 -0.17 -4.33 118.70 123.39 3mud s GLU 114 Ca 0.05 2.17 -0.31 0.00 0.02 0.00 0.00 54.97 56.89 3mud s GLU 114 Cb -0.20 -3.16 -0.10 0.00 0.10 0.00 0.00 34.13 30.77 3mud s GLU 114 CO -0.07 -0.33 1.71 0.21 0.02 0.00 0.00 175.26 176.80 3mud s LYS 115 N -0.18 4.16 0.47 1.61 2.20 -1.26 -0.41 119.74 126.33 3mud s LYS 115 Ca 0.58 2.50 -0.15 0.00 -0.36 0.00 0.00 55.97 58.55 3mud s LYS 115 Cb -0.39 -3.34 -0.08 0.00 -1.51 0.00 0.00 37.83 32.51 3mud s LYS 115 CO 0.40 -0.75 0.90 0.14 -0.36 0.00 0.00 175.35 175.69 3mud s VAL 116 N 1.90 4.62 -0.75 4.02 -7.23 -0.05 -4.92 120.40 117.99 3mud s VAL 116 Ca 0.76 1.02 0.26 0.00 -1.81 0.00 0.00 61.98 62.20 3mud s VAL 116 Cb -0.46 -3.72 0.22 0.00 0.56 0.00 0.00 36.38 32.98 3mud s VAL 116 CO 0.33 -0.60 1.68 -0.62 -0.31 0.00 0.00 175.10 175.58 3mud n GLU 117 N -1.41 0.23 -2.61 4.82 -0.58 -1.26 -4.36 120.64 115.47 3mud n GLU 117 Ca 0.05 0.15 -0.28 0.00 -0.42 0.00 0.00 57.16 56.66 3mud n GLU 117 Cb 0.54 -1.73 -0.01 0.00 -0.57 0.00 0.00 31.44 29.67 3mud n GLU 117 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3mud n ASN 118 N -2.11 4.88 -0.26 1.62 6.94 -1.26 -4.91 115.26 120.15 3mud n ASN 118 Ca 0.05 -3.72 -0.05 0.00 -0.02 0.00 0.00 54.58 50.84 3mud n ASN 118 Cb 0.42 -0.55 0.06 0.00 -2.36 0.00 0.00 39.78 37.34 3mud n ASN 118 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 3mud h PRO 119 N 2.79 1.00 -0.57 -0.53 0.13 -1.88 -1.02 132.00 131.92 3mud h PRO 119 Ca 0.26 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3mud h PRO 119 Cb 0.71 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 3mud h PRO 119 CO 0.88 0.73 0.36 0.00 -0.23 0.00 0.00 178.00 179.74 3mud h ALA 120 N 1.21 0.72 -0.76 -0.56 0.00 -1.91 0.12 119.26 118.08 3mud h ALA 120 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3mud h ALA 120 Cb 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3mud h ALA 120 CO -0.04 0.18 0.48 1.49 0.00 0.00 0.00 179.25 181.36 3mud h GLU 121 N 0.76 1.02 -0.49 0.00 4.81 -1.86 -0.00 114.58 118.82 3mud h GLU 121 Ca 0.21 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3mud h GLU 121 Cb -0.05 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 3mud h GLU 121 CO -0.04 0.70 0.20 0.28 -0.73 0.00 0.00 179.01 179.42 3mud h VAL 122 N 1.04 1.21 -0.48 0.32 2.07 -0.60 -1.08 116.25 118.73 3mud h VAL 122 Ca 0.28 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3mud h VAL 122 Cb -0.07 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3mud h VAL 122 CO -0.06 0.24 0.17 0.40 0.02 0.00 0.00 177.57 178.35 3mud h ILE 123 N 0.66 1.22 -0.77 4.57 2.04 -0.51 -0.84 117.51 123.87 3mud h ILE 123 Ca 0.17 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 3mud h ILE 123 Cb 0.18 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3mud h ILE 123 CO -0.01 0.26 0.26 0.03 0.00 0.00 0.00 178.15 178.68 3mud h ARG 124 N 0.63 1.18 -0.41 2.37 3.08 -0.86 -1.87 114.38 118.49 3mud h ARG 124 Ca 0.16 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3mud h ARG 124 Cb 0.23 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3mud h ARG 124 CO -0.01 0.98 -0.21 1.49 -1.07 0.00 0.00 179.97 181.16 3mud h GLU 125 N 1.13 0.82 -0.66 0.04 4.22 -0.96 -0.44 114.58 118.72 3mud h GLU 125 Ca 0.25 -0.33 -0.02 0.00 0.08 0.00 0.00 59.36 59.34 3mud h GLU 125 Cb 0.28 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3mud h GLU 125 CO -0.01 0.95 0.33 1.25 -2.18 0.00 0.00 179.01 179.35 3mud h LEU 126 N 0.71 0.86 -0.35 1.64 6.46 -0.81 -0.96 115.31 122.87 3mud h LEU 126 Ca 0.10 -0.12 -0.08 0.00 -0.12 0.00 0.00 57.88 57.65 3mud h LEU 126 Cb 0.73 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 3mud h LEU 126 CO 0.06 0.74 -0.11 0.40 -0.62 0.00 0.00 178.44 178.91 3mud h ILE 127 N 0.91 1.28 -0.62 4.05 2.04 -1.01 -1.81 117.51 122.35 3mud h ILE 127 Ca 0.23 -1.18 0.09 0.00 1.00 0.00 0.00 64.86 64.99 3mud h ILE 127 Cb 0.10 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 3mud h ILE 127 CO -0.03 0.39 0.26 0.00 0.00 0.00 0.00 178.15 178.77 3mud h TYR 129 N 0.47 0.67 -0.78 0.00 3.20 -0.96 0.25 116.97 119.82 3mud h TYR 129 Ca 0.31 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 3mud h TYR 129 Cb 0.34 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 3mud h TYR 129 CO -0.14 0.38 0.38 0.00 -1.64 0.00 0.00 178.16 177.14 3mud h LEU 131 N 1.10 0.98 -0.71 0.00 3.38 -0.29 -1.10 115.31 118.67 3mud h LEU 131 Ca 0.27 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3mud h LEU 131 Cb 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3mud h LEU 131 CO -0.03 1.26 0.25 0.44 0.09 0.00 0.00 178.44 180.44 3mud h ASP 132 N 0.71 1.02 -0.55 -0.43 3.32 -0.38 -1.14 116.42 118.97 3mud h ASP 132 Ca 0.05 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3mud h ASP 132 Cb 1.01 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 3mud h ASP 132 CO 0.10 0.94 0.34 0.74 -1.72 0.00 0.00 179.24 179.64 3mud h THR 133 N 1.04 1.16 -0.54 0.35 2.02 -0.74 -1.27 112.91 114.92 3mud h THR 133 Ca 0.23 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3mud h THR 133 Cb 0.27 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3mud h THR 133 CO -0.01 0.16 0.23 0.74 0.37 0.00 0.00 175.52 177.00 3mud h THR 134 N 0.74 1.21 -0.44 3.16 2.02 -0.98 0.62 112.91 119.24 3mud h THR 134 Ca 0.20 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.76 3mud h THR 134 Cb -0.04 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3mud h THR 134 CO -0.04 0.25 0.25 0.00 0.37 0.00 0.00 175.52 176.35 3mud h ALA 135 N 1.07 0.56 -0.43 6.16 0.00 -1.03 -0.37 119.26 125.22 3mud h ALA 135 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3mud h ALA 135 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3mud h ALA 135 CO -0.02 -0.09 0.20 -0.22 0.00 0.00 0.00 179.25 179.13 3mud h LYS 248 N 0.49 0.63 -0.48 0.00 3.64 -1.01 -1.58 116.57 118.26 3mud h LYS 248 Ca 0.18 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3mud h LYS 248 Cb 0.05 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3mud h LYS 248 CO -0.10 0.54 0.01 -0.91 -2.27 0.00 0.00 179.45 176.73 3mud h ASN 249 N 0.56 0.75 -0.58 4.20 2.35 -0.69 -0.76 115.58 121.40 3mud h ASN 249 Ca 0.15 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 3mud h ASN 249 Cb 0.13 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3mud h ASN 249 CO -0.02 0.81 0.01 -0.33 -1.65 0.00 0.00 177.43 176.25 3mud h GLU 250 N 0.73 1.02 -0.65 0.81 5.08 -0.92 -0.76 114.58 119.90 3mud h GLU 250 Ca 0.15 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3mud h GLU 250 Cb 0.43 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3mud h GLU 250 CO 0.02 1.01 0.30 -0.22 -1.00 0.00 0.00 179.01 179.11 3mud h LYS 251 N 0.91 0.94 -0.84 2.33 1.63 -1.08 -1.35 116.57 119.11 3mud h LYS 251 Ca 0.17 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3mud h LYS 251 Cb 0.54 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 3mud h LYS 251 CO 0.03 0.76 0.46 0.77 -3.45 0.00 0.00 179.45 178.01 3mud h SER 252 N 0.90 1.06 -0.67 4.20 0.02 -0.88 -0.53 113.55 117.65 3mud h SER 252 Ca 0.22 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3mud h SER 252 Cb 0.14 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3mud h SER 252 CO -0.03 0.86 0.17 0.40 -1.14 0.00 0.00 176.83 177.09 3mud h ILE 253 N 1.18 1.26 -0.29 3.27 2.04 -0.85 -1.03 117.51 123.08 3mud h ILE 253 Ca 0.30 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3mud h ILE 253 Cb 0.04 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3mud h ILE 253 CO -0.05 0.36 0.05 0.44 0.00 0.00 0.00 178.15 178.95 3mud h ASP 254 N 1.00 0.45 -0.83 1.72 3.32 -0.80 -1.08 116.42 120.21 3mud h ASP 254 Ca 0.21 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.04 3mud h ASP 254 Cb 0.36 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 3mud h ASP 254 CO 0.00 0.59 0.53 0.44 -1.72 0.00 0.00 179.24 179.08 3mud h ASP 255 N 0.29 0.88 -0.33 6.45 3.32 -0.98 -1.60 116.42 124.45 3mud h ASP 255 Ca 0.09 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 3mud h ASP 255 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3mud h ASP 255 CO 0.00 0.60 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.77 3mud h LEU 256 N 1.03 0.83 -1.13 1.55 3.38 -1.10 -1.28 115.31 118.58 3mud h LEU 256 Ca 0.33 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3mud h LEU 256 Cb 0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3mud h LEU 256 CO -0.12 1.11 0.59 -0.33 0.09 0.00 0.00 178.44 179.79 3mud h GLU 257 N 0.55 1.08 0.00 1.13 5.08 -0.96 -0.32 114.58 121.13 3mud h GLU 257 Ca 0.06 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3mud h GLU 257 Cb 0.86 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3mud h GLU 257 CO 0.07 0.71 -0.54 1.05 -1.00 0.00 0.00 179.01 179.30 3mud h GLU 258 N 1.11 0.00 -0.54 2.33 4.11 -1.16 -2.10 114.58 118.33 3mud h GLU 258 Ca 0.37 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.70 3mud h GLU 258 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3mud h GLU 258 CO -0.12 0.54 -0.03 0.87 0.07 0.00 0.00 179.01 180.34 3mud h LYS 259 N 0.00 0.97 -0.79 1.06 1.57 -0.36 -0.83 116.57 118.18 3mud h LYS 259 Ca -0.01 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3mud h LYS 259 Cb 1.16 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 3mud h LYS 259 CO 0.07 1.00 0.49 0.28 -0.57 0.00 0.00 179.45 180.71 3mud h VAL 260 N 0.85 1.22 -0.33 0.50 2.07 -0.94 -1.88 116.25 117.75 3mud h VAL 260 Ca 0.15 -0.47 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 3mud h VAL 260 Cb 0.58 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3mud h VAL 260 CO 0.03 0.23 -0.43 0.00 0.02 0.00 0.00 177.57 177.42 3mud h ALA 261 N 1.26 0.49 -0.45 1.67 0.00 -1.23 -1.14 119.26 119.86 3mud h ALA 261 Ca 0.29 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3mud h ALA 261 Cb -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3mud h ALA 261 CO -0.06 0.62 0.28 1.25 0.00 0.00 0.00 179.25 181.34 3mud h HIS 262 N 0.66 0.60 -0.32 0.00 6.17 -1.05 -1.09 115.15 120.12 3mud h HIS 262 Ca 0.04 -0.00 -0.16 0.00 0.71 0.00 0.00 60.37 60.96 3mud h HIS 262 Cb 1.03 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.76 3mud h HIS 262 CO 0.07 0.42 -0.44 0.00 0.71 0.00 0.00 177.93 178.69 3mud h ALA 263 N 1.13 0.63 -0.73 5.26 0.00 -1.27 -0.41 119.26 123.87 3mud h ALA 263 Ca 0.16 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.66 3mud h ALA 263 Cb -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3mud h ALA 263 CO -0.03 0.67 0.43 -0.22 0.00 0.00 0.00 179.25 180.10 3mud h LYS 264 N 0.65 0.77 -0.15 0.00 3.64 -1.12 -0.91 116.57 119.44 3mud h LYS 264 Ca 0.04 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 3mud h LYS 264 Cb 1.01 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3mud h LYS 264 CO 0.10 0.51 -0.70 1.49 -2.27 0.00 0.00 179.45 178.58 3mud h GLU 265 N 0.79 0.66 -0.69 1.90 4.57 -0.96 -0.54 114.58 120.32 3mud h GLU 265 Ca 0.32 -0.50 0.02 0.00 -1.18 0.00 0.00 59.36 58.02 3mud h GLU 265 Cb 0.16 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 3mud h GLU 265 CO -0.17 1.12 0.44 1.49 -1.18 0.00 0.00 179.01 180.71 3mud h GLU 266 N 0.46 0.86 -0.10 1.92 4.81 -0.92 0.28 114.58 121.89 3mud h GLU 266 Ca -0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3mud h GLU 266 Cb 1.30 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 3mud h GLU 266 CO 0.14 0.57 0.04 -0.97 -0.73 0.00 0.00 179.01 178.05 3mud h ASN 267 N 0.88 0.14 -0.34 1.04 -1.24 -1.02 -2.77 115.58 112.28 3mud h ASN 267 Ca 0.27 -0.17 0.06 0.00 0.71 0.00 0.00 56.30 57.17 3mud h ASN 267 Cb -0.04 -0.04 -0.06 0.00 0.73 0.00 0.00 38.32 38.92 3mud h ASN 267 CO -0.08 0.28 -0.02 0.25 -1.29 0.00 0.00 177.43 176.56 3mud h LEU 268 N 0.00 -0.18 -0.83 0.34 5.85 -0.75 -2.59 115.31 117.16 3mud h LEU 268 Ca 0.03 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3mud h LEU 268 Cb 0.18 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 3mud h LEU 268 CO -0.00 -0.05 0.47 0.78 -0.34 0.00 0.00 178.44 179.29 3mud h ASN 269 N 0.07 0.66 -0.49 1.25 2.35 -0.87 0.14 115.58 118.69 3mud h ASN 269 Ca 0.16 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3mud h ASN 269 Cb 0.23 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3mud h ASN 269 CO -0.29 0.37 0.26 0.24 -1.65 0.00 0.00 177.43 176.36 3mud h MET 270 N 0.77 0.68 -0.44 0.81 2.86 -1.20 -0.62 114.93 117.80 3mud h MET 270 Ca 0.40 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.85 3mud h MET 270 Cb 0.39 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3mud h MET 270 CO -0.26 0.54 -0.17 0.45 1.06 0.00 0.00 176.91 178.54 3mud h HIS 271 N 0.65 0.94 -0.71 -0.22 3.86 -0.99 -1.45 115.15 117.22 3mud h HIS 271 Ca 0.17 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3mud h HIS 271 Cb 0.06 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 3mud h HIS 271 CO -0.02 0.94 0.35 1.96 0.86 0.00 0.00 177.93 182.03 3mud h GLN 272 N 0.74 1.02 -0.46 2.45 4.20 -0.57 -0.96 115.11 121.55 3mud h GLN 272 Ca 0.11 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3mud h GLN 272 Cb 0.68 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3mud h GLN 272 CO 0.05 0.79 0.26 1.98 -0.67 0.00 0.00 178.83 181.24 3mud h MET 273 N 0.99 0.63 -0.45 1.46 4.05 -0.82 -1.26 114.93 119.54 3mud h MET 273 Ca 0.25 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3mud h MET 273 Cb 0.10 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 3mud h MET 273 CO -0.03 0.49 0.27 -0.07 0.23 0.00 0.00 176.91 177.80 3mud h LEU 274 N 0.60 0.53 -0.61 3.39 3.38 -1.02 -1.26 115.31 120.33 3mud h LEU 274 Ca 0.16 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3mud h LEU 274 Cb 0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3mud h LEU 274 CO -0.03 0.43 0.24 0.44 0.09 0.00 0.00 178.44 179.62 3mud h ASP 275 N 0.59 0.84 -0.32 -0.43 3.32 -0.97 -0.92 116.42 118.53 3mud h ASP 275 Ca 0.16 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 3mud h ASP 275 Cb -0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3mud h ASP 275 CO -0.03 0.78 -0.22 -0.61 -1.72 0.00 0.00 179.24 177.44 3mud h GLN 276 N 0.85 0.81 0.10 3.56 5.75 -1.19 -1.52 115.11 123.47 3mud h GLN 276 Ca 0.20 -0.33 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3mud h GLN 276 Cb 0.20 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.72 3mud h GLN 276 CO -0.02 0.95 -0.05 1.15 -2.65 0.00 0.00 178.83 178.22 3mud h THR 277 N 0.71 0.97 -0.52 2.39 2.02 -0.96 -1.01 112.91 116.51 3mud h THR 277 Ca 0.10 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.05 3mud h THR 277 Cb 0.74 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 3mud h THR 277 CO 0.06 0.06 0.29 0.25 0.37 0.00 0.00 175.52 176.56 3mud h LEU 278 N -0.25 0.45 -0.33 2.58 5.85 -1.14 0.15 115.31 122.63 3mud h LEU 278 Ca -0.01 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3mud h LEU 278 Cb 0.21 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 3mud h LEU 278 CO 0.02 0.32 -0.13 0.25 -0.34 0.00 0.00 178.44 178.56 3mud h LEU 279 N 0.58 -0.44 -0.43 2.25 7.12 -1.11 0.11 115.31 123.40 3mud h LEU 279 Ca 0.22 0.12 -0.11 0.00 0.13 0.00 0.00 57.88 58.23 3mud h LEU 279 Cb 0.07 0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 3mud h LEU 279 CO -0.12 -0.16 -0.17 -0.33 -0.13 0.00 0.00 178.44 177.53 3mud h GLU 280 N -0.06 0.87 -0.94 1.25 5.08 -0.48 -2.50 114.58 117.80 3mud h GLU 280 Ca 0.17 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3mud h GLU 280 Cb 0.31 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 3mud h GLU 280 CO -0.37 1.01 0.62 -0.07 -1.00 0.00 0.00 179.01 179.19 3mud h LEU 281 N 0.70 1.03 -0.27 1.33 3.38 -0.35 -1.55 115.31 119.57 3mud h LEU 281 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mud h LEU 281 Cb 0.73 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3mud h LEU 281 CO 0.06 0.71 0.00 0.59 0.09 0.00 0.00 178.44 179.88 3mud n ASN 282 N -4.44 0.29 -0.97 -0.43 3.02 0.37 -2.70 115.26 110.40 3mud n ASN 282 Ca 0.12 0.57 0.11 0.00 -0.03 0.00 0.00 54.58 55.35 3mud n ASN 282 Cb 0.09 -0.63 0.15 0.00 -0.61 0.00 0.00 39.78 38.78 3mud n ASN 282 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mud n ASN 283 N -1.82 3.09 -0.00 6.41 3.02 -0.59 -5.09 115.26 120.28 3mud n ASN 283 Ca 0.03 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 3mud n ASN 283 Cb 0.21 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3mud n ASN 283 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79