#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mug s GLN 3 N 0.00 0.80 -0.07 3.44 -0.21 0.54 -4.99 119.66 119.19 3mug s GLN 3 Ca 0.00 -1.10 -0.02 0.00 0.02 0.00 0.00 55.36 54.27 3mug s GLN 3 Cb 0.00 -0.52 0.03 0.00 1.00 0.00 0.00 33.01 33.52 3mug s GLN 3 CO 0.00 0.08 0.02 -0.51 -2.12 0.00 0.00 175.29 172.76 3mug s LEU 4 N -2.30 0.46 -0.25 2.90 1.43 -1.26 -1.67 118.68 118.00 3mug s LEU 4 Ca 0.03 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3mug s LEU 4 Cb -0.04 -0.35 0.05 0.00 0.03 0.00 0.00 46.19 45.88 3mug s LEU 4 CO 0.00 -0.22 -0.11 0.68 0.23 0.00 0.00 176.35 176.93 3mug s VAL 5 N 2.03 2.26 0.28 -1.59 -7.23 -0.28 -4.23 120.40 111.65 3mug s VAL 5 Ca 0.05 -1.49 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 3mug s VAL 5 Cb -0.12 -2.27 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 3mug s VAL 5 CO -0.05 0.05 0.73 -1.61 -0.31 0.00 0.00 175.10 173.91 3mug s GLU 6 N 1.15 4.09 0.24 4.82 8.01 -1.26 -1.58 118.70 134.17 3mug s GLU 6 Ca -0.06 0.73 -0.12 0.00 0.01 0.00 0.00 54.97 55.53 3mug s GLU 6 Cb -0.19 -2.60 -0.01 0.00 -4.31 0.00 0.00 34.13 27.03 3mug s GLU 6 CO -0.06 0.25 0.45 -1.54 0.01 0.00 0.00 175.26 174.37 3mug s SER 7 N -2.05 -0.08 0.00 -0.19 1.04 -0.59 -4.77 113.70 107.06 3mug s SER 7 Ca 0.50 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3mug s SER 7 Cb -0.12 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3mug s SER 7 CO 0.19 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3mug n GLY 8 N -0.37 3.29 3.71 7.32 0.00 -1.26 -1.74 105.19 116.14 3mug n GLY 8 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3mug n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mug s GLY 9 N -2.86 1.64 0.00 -0.02 0.00 -1.26 -4.85 107.32 99.96 3mug s GLY 9 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.81 3mug s GLY 9 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 173.10 174.26 3mug n GLY 10 N -0.89 -0.29 3.63 0.20 0.00 0.21 -4.89 105.19 103.15 3mug n GLY 10 Ca 0.08 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 3mug n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mug s VAL 11 N -3.18 5.05 0.08 1.61 1.01 -1.26 -0.85 120.40 122.86 3mug s VAL 11 Ca 0.00 0.96 0.05 0.00 0.00 0.00 0.00 61.98 62.99 3mug s VAL 11 Cb 0.00 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3mug s VAL 11 CO 0.00 0.08 -0.13 0.68 0.00 0.00 0.00 175.10 175.73 3mug s VAL 12 N 2.28 1.09 0.20 2.92 -7.23 -0.40 -4.97 120.40 114.30 3mug s VAL 12 Ca 0.23 -1.37 -0.21 0.00 -1.81 0.00 0.00 61.98 58.82 3mug s VAL 12 Cb -0.16 -1.12 -0.08 0.00 0.56 0.00 0.00 36.38 35.58 3mug s VAL 12 CO 0.09 -0.29 0.73 -1.10 -0.31 0.00 0.00 175.10 174.23 3mug s GLN 13 N -1.93 4.33 0.57 4.82 1.11 -1.26 -1.29 119.66 126.01 3mug s GLN 13 Ca -0.01 0.94 -0.20 0.00 0.01 0.00 0.00 55.36 56.10 3mug s GLN 13 Cb -0.09 -2.98 -0.04 0.00 -1.01 0.00 0.00 33.01 28.89 3mug s GLN 13 CO 0.02 0.45 1.27 -1.25 0.01 0.00 0.00 175.29 175.78 3mug s PRO 14 N -1.74 3.08 0.00 2.91 0.04 -1.26 -2.86 135.00 135.16 3mug s PRO 14 Ca 0.41 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.45 3mug s PRO 14 Cb -0.18 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3mug s PRO 14 CO 0.22 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.50 3mug n GLY 15 N 0.64 1.12 3.96 0.56 0.00 0.23 -4.86 105.19 106.84 3mug n GLY 15 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3mug n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mug s GLY 16 N -1.76 1.74 0.10 -0.02 0.00 -1.14 -4.12 107.32 102.13 3mug s GLY 16 Ca 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 3mug s GLY 16 CO 0.00 -0.93 0.28 -0.56 0.00 0.00 0.00 173.10 171.88 3mug s SER 17 N -4.38 6.40 -0.18 1.64 0.01 -1.26 -0.45 113.70 115.48 3mug s SER 17 Ca 0.55 0.36 -0.12 0.00 1.31 0.00 0.00 55.95 58.05 3mug s SER 17 Cb -0.10 -2.00 0.06 0.00 0.21 0.00 0.00 66.02 64.19 3mug s SER 17 CO 0.39 0.11 0.46 -0.22 0.41 0.00 0.00 173.24 174.39 3mug s LEU 18 N -2.68 -0.10 -0.20 2.44 2.96 -0.72 -4.97 118.68 115.40 3mug s LEU 18 Ca 0.37 0.98 -0.02 0.00 -0.22 0.00 0.00 54.13 55.23 3mug s LEU 18 Cb -0.12 1.54 -0.00 0.00 0.50 0.00 0.00 46.19 48.10 3mug s LEU 18 CO 0.27 -0.19 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.42 3mug s ARG 19 N 1.10 3.29 0.04 1.98 3.52 -1.26 0.25 118.95 127.87 3mug s ARG 19 Ca -0.07 -0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 54.80 3mug s ARG 19 Cb -0.07 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.42 3mug s ARG 19 CO -0.10 -0.15 0.27 -0.51 -0.81 0.00 0.00 175.30 174.00 3mug s LEU 20 N 1.29 4.35 0.18 -0.88 1.43 0.19 -4.66 118.68 120.58 3mug s LEU 20 Ca 0.03 0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.69 3mug s LEU 20 Cb -0.14 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 3mug s LEU 20 CO -0.04 0.20 -0.13 -0.44 0.23 0.00 0.00 176.35 176.16 3mug s SER 21 N -2.02 2.31 -0.22 2.29 0.01 -0.71 -1.92 113.70 113.43 3mug s SER 21 Ca 0.31 -1.00 -0.04 0.00 1.31 0.00 0.00 55.95 56.54 3mug s SER 21 Cb -0.13 -0.10 0.12 0.00 0.21 0.00 0.00 66.02 66.12 3mug s SER 21 CO 0.20 -0.21 0.37 0.00 0.41 0.00 0.00 173.24 174.01 3mug s LEU 23 N 2.55 4.14 0.06 0.00 2.96 -0.61 -0.80 118.68 126.98 3mug s LEU 23 Ca 0.08 0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 54.38 3mug s LEU 23 Cb -0.14 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 3mug s LEU 23 CO -0.14 -0.05 0.28 0.00 -1.32 0.00 0.00 176.35 175.11 3mug s ALA 24 N 1.30 3.89 0.05 5.97 0.00 0.02 -1.13 121.76 131.85 3mug s ALA 24 Ca 0.17 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 3mug s ALA 24 Cb -0.15 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.00 3mug s ALA 24 CO 0.07 0.71 0.34 -1.54 0.00 0.00 0.00 175.76 175.35 3mug s SER 25 N -2.15 -0.18 0.00 0.00 1.04 -0.67 -4.90 113.70 106.84 3mug s SER 25 Ca 0.33 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3mug s SER 25 Cb -0.13 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3mug s SER 25 CO 0.22 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.41 3mug n GLY 26 N 0.53 0.53 3.51 7.32 0.00 -1.26 -0.34 105.19 115.48 3mug n GLY 26 Ca -0.18 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 3mug n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mug s PHE 27 N -2.00 -0.45 -0.95 1.61 -0.71 -1.26 -4.32 117.98 109.91 3mug s PHE 27 Ca 0.00 0.18 -0.20 0.00 -1.04 0.00 0.00 56.93 55.87 3mug s PHE 27 Cb 0.00 0.58 0.11 0.00 -1.21 0.00 0.00 43.02 42.49 3mug s PHE 27 CO 0.00 -0.93 1.21 0.95 -1.34 0.00 0.00 175.22 175.12 3mug s THR 28 N -3.79 4.49 0.27 -4.49 -4.23 -1.26 -4.92 115.64 101.71 3mug s THR 28 Ca 0.03 -1.32 -0.05 0.00 -1.18 0.00 0.00 61.69 59.17 3mug s THR 28 Cb -0.02 -4.86 0.42 0.00 1.34 0.00 0.00 72.50 69.38 3mug s THR 28 CO -0.09 -1.63 1.44 0.33 -0.54 0.00 0.00 174.62 174.14 3mug n PHE 29 N 7.22 0.39 0.30 3.99 7.35 -1.26 -1.73 117.46 133.73 3mug n PHE 29 Ca 0.26 1.12 0.15 0.00 -0.76 0.00 0.00 57.45 58.23 3mug n PHE 29 Cb 0.50 -1.07 0.70 0.00 0.35 0.00 0.00 39.48 39.96 3mug n PHE 29 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 3mug h HIS 30 N 0.00 0.00 0.00 -5.13 2.07 -1.85 -2.71 115.15 107.53 3mug h HIS 30 Ca 0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.99 3mug h HIS 30 Cb 0.79 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.77 3mug h HIS 30 CO -0.66 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 175.83 3mug n LYS 31 N -2.63 0.04 -4.38 5.12 4.76 -0.70 -4.39 118.16 115.97 3mug n LYS 31 Ca -0.00 0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.22 3mug n LYS 31 Cb 0.18 -1.55 -0.13 0.00 -1.84 0.00 0.00 35.03 31.69 3mug n LYS 31 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3mug s TYR 32 N -3.02 2.20 0.49 2.13 2.02 -1.02 -4.87 117.35 115.28 3mug s TYR 32 Ca 0.13 -0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.26 3mug s TYR 32 Cb 0.17 -1.16 -0.08 0.00 -0.40 0.00 0.00 41.96 40.49 3mug s TYR 32 CO 0.52 0.36 1.00 0.20 -1.57 0.00 0.00 175.55 176.06 3mug s GLY 33 N -2.22 2.29 0.01 0.71 0.00 -1.26 -3.73 107.32 103.12 3mug s GLY 33 Ca 0.15 0.39 0.02 0.00 0.00 0.00 0.00 44.72 45.28 3mug s GLY 33 CO 0.07 0.68 -0.07 1.06 0.00 0.00 0.00 173.10 174.84 3mug s MET 34 N -3.58 0.51 0.32 2.90 1.00 -0.62 -0.72 119.30 119.10 3mug s MET 34 Ca 0.63 -0.40 0.11 0.00 0.00 0.00 0.00 55.69 56.02 3mug s MET 34 Cb -0.12 -0.42 -0.06 0.00 0.00 0.00 0.00 34.83 34.23 3mug s MET 34 CO 0.23 0.11 -0.14 -1.01 0.00 0.00 0.00 175.02 174.21 3mug s HIS 35 N -0.55 2.35 -0.09 -0.03 3.76 0.74 -1.13 115.29 120.35 3mug s HIS 35 Ca -0.02 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 54.50 3mug s HIS 35 Cb -0.05 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.42 3mug s HIS 35 CO 0.00 0.64 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.75 3mug s TRP 36 N -2.57 2.19 -0.05 1.40 0.52 -0.55 -1.87 118.94 118.01 3mug s TRP 36 Ca 0.31 -0.88 0.03 0.00 0.02 0.00 0.00 56.10 55.59 3mug s TRP 36 Cb -0.01 -1.49 0.01 0.00 -1.15 0.00 0.00 33.47 30.83 3mug s TRP 36 CO 0.16 -0.37 -0.13 0.08 0.02 0.00 0.00 176.95 176.71 3mug s VAL 37 N 0.45 1.16 0.26 4.03 1.01 0.04 -0.65 120.40 126.70 3mug s VAL 37 Ca -0.18 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.37 3mug s VAL 37 Cb -0.17 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3mug s VAL 37 CO 0.07 0.35 0.03 0.00 0.00 0.00 0.00 175.10 175.55 3mug s ARG 38 N 0.40 2.41 -0.25 2.72 1.70 0.73 0.75 118.95 127.41 3mug s ARG 38 Ca -0.10 -1.33 -0.03 0.00 -0.47 0.00 0.00 55.73 53.80 3mug s ARG 38 Cb -0.13 -2.24 0.10 0.00 -0.57 0.00 0.00 34.95 32.10 3mug s ARG 38 CO 0.03 0.38 0.18 -1.14 -1.08 0.00 0.00 175.30 173.67 3mug s GLN 39 N -3.65 0.20 0.54 3.89 0.74 0.26 -0.32 119.66 121.33 3mug s GLN 39 Ca 0.31 -0.19 -0.20 0.00 0.05 0.00 0.00 55.36 55.34 3mug s GLN 39 Cb -0.07 -1.17 -0.06 0.00 1.10 0.00 0.00 33.01 32.81 3mug s GLN 39 CO 0.21 -0.88 1.15 0.00 -0.55 0.00 0.00 175.29 175.22 3mug s ALA 40 N 2.22 2.70 0.01 1.58 0.00 -1.26 -0.93 121.76 126.08 3mug s ALA 40 Ca 0.07 0.87 -0.35 0.00 0.00 0.00 0.00 51.96 52.55 3mug s ALA 40 Cb -0.15 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.45 3mug s ALA 40 CO -0.25 -0.82 1.65 -2.30 0.00 0.00 0.00 175.76 174.04 3mug n PRO 41 N -1.26 1.84 -1.06 0.00 -0.02 -1.26 -0.75 135.00 132.49 3mug n PRO 41 Ca 0.11 0.67 -0.02 0.00 -2.02 0.00 0.00 63.50 62.24 3mug n PRO 41 Cb 0.50 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3mug n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mug n GLY 42 N 3.67 0.38 3.89 -1.23 0.00 -1.26 -4.99 105.19 105.65 3mug n GLY 42 Ca 0.20 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3mug n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mug s LYS 43 N -1.53 2.32 0.89 1.61 -0.14 0.07 -5.15 119.74 117.82 3mug s LYS 43 Ca 0.00 -1.86 -0.13 0.00 -1.36 0.00 0.00 55.97 52.62 3mug s LYS 43 Cb 0.00 -2.20 0.16 0.00 -1.68 0.00 0.00 37.83 34.11 3mug s LYS 43 CO 0.00 -0.49 1.24 0.20 -0.76 0.00 0.00 175.35 175.54 3mug s GLY 44 N -4.24 1.73 0.20 -3.33 0.00 -1.26 -4.67 107.32 95.74 3mug s GLY 44 Ca 0.40 -1.12 -0.30 0.00 0.00 0.00 0.00 44.72 43.70 3mug s GLY 44 CO 0.24 -0.45 1.14 1.08 0.00 0.00 0.00 173.10 175.11 3mug s LEU 45 N -5.71 4.48 -0.11 0.66 1.43 -1.26 -4.32 118.68 113.86 3mug s LEU 45 Ca 0.70 2.17 -0.02 0.00 -1.03 0.00 0.00 54.13 55.95 3mug s LEU 45 Cb -0.06 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.59 3mug s LEU 45 CO 0.51 -0.27 0.01 -0.70 0.23 0.00 0.00 176.35 176.13 3mug s GLU 46 N -0.48 0.66 0.20 1.70 2.12 0.56 -4.99 118.70 118.47 3mug s GLU 46 Ca 0.50 -0.05 -0.31 0.00 0.36 0.00 0.00 54.97 55.46 3mug s GLU 46 Cb -0.31 -1.32 -0.11 0.00 0.26 0.00 0.00 34.13 32.65 3mug s GLU 46 CO 0.37 -0.40 1.58 -0.46 -0.54 0.00 0.00 175.26 175.81 3mug s TRP 47 N 1.93 2.99 -0.16 5.30 -0.00 -1.26 -0.20 118.94 127.55 3mug s TRP 47 Ca 0.03 0.64 -0.13 0.00 -0.00 0.00 0.00 56.10 56.65 3mug s TRP 47 Cb -0.14 -3.97 -0.06 0.00 -0.00 0.00 0.00 33.47 29.30 3mug s TRP 47 CO -0.06 -3.51 -0.28 0.28 -0.00 0.00 0.00 176.95 173.38 3mug n VAL 48 N 3.55 1.37 -3.52 5.86 0.31 0.18 -4.66 118.33 121.41 3mug n VAL 48 Ca 0.13 0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.38 3mug n VAL 48 Cb 0.38 -2.06 -0.02 0.00 -0.91 0.00 0.00 33.84 31.23 3mug n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mug s ALA 49 N -2.62 -1.68 -0.01 3.52 0.00 -1.07 -0.74 121.76 119.17 3mug s ALA 49 Ca -0.26 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.34 3mug s ALA 49 Cb 0.06 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 3mug s ALA 49 CO 0.36 -0.78 -0.05 -1.17 0.00 0.00 0.00 175.76 174.12 3mug s LEU 50 N -2.66 1.94 -0.05 0.00 2.96 -0.49 -1.48 118.68 118.90 3mug s LEU 50 Ca 0.05 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 3mug s LEU 50 Cb -0.01 -0.29 -0.00 0.00 0.50 0.00 0.00 46.19 46.38 3mug s LEU 50 CO -0.08 0.05 -0.19 -0.51 -1.32 0.00 0.00 176.35 174.31 3mug s ILE 51 N -0.02 1.55 0.79 6.68 2.07 -0.28 -0.61 121.20 131.38 3mug s ILE 51 Ca 0.01 -0.78 -0.11 0.00 -1.41 0.00 0.00 60.65 58.36 3mug s ILE 51 Cb -0.03 -1.33 0.07 0.00 0.13 0.00 0.00 42.46 41.29 3mug s ILE 51 CO -0.00 0.44 1.09 -0.94 -1.91 0.00 0.00 174.94 173.62 3mug s SER 52 N 0.02 4.35 0.29 4.50 1.04 0.34 -1.59 113.70 122.65 3mug s SER 52 Ca -0.04 1.80 0.01 0.00 0.48 0.00 0.00 55.95 58.19 3mug s SER 52 Cb -0.12 -2.49 0.69 0.00 0.10 0.00 0.00 66.02 64.20 3mug s SER 52 CO 0.03 -2.13 1.62 -2.24 0.98 0.00 0.00 173.24 171.49 3mug h ASP 52 N -1.20 -0.21 0.75 7.02 2.03 -1.82 -0.67 116.42 122.32 3mug h ASP 52 Ca -0.44 0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 3mug h ASP 52 Cb 1.24 0.35 0.00 0.00 -0.83 0.00 0.00 39.33 40.09 3mug h ASP 52 CO 0.51 -0.23 -0.21 -0.90 -1.03 0.00 0.00 179.24 177.38 3mug n ASP 53 N -5.34 0.24 -0.04 4.15 5.68 -1.26 -4.76 116.55 115.23 3mug n ASP 53 Ca 0.21 0.11 -0.01 0.00 -0.50 0.00 0.00 54.79 54.60 3mug n ASP 53 Cb 0.68 -0.16 -0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3mug n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mug n GLY 54 N 1.48 0.48 0.09 6.12 0.00 -0.26 -4.93 105.19 108.17 3mug n GLY 54 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 3mug n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3mug n MET 55 N -2.74 0.63 -4.08 1.61 2.81 -1.26 -4.82 117.12 109.27 3mug n MET 55 Ca -0.01 0.22 -0.34 0.00 -1.81 0.00 0.00 57.70 55.76 3mug n MET 55 Cb 0.05 -1.77 -0.14 0.00 -0.71 0.00 0.00 33.22 30.65 3mug n MET 55 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3mug s ARG 56 N -2.80 3.37 -0.03 0.03 0.52 -1.26 -5.01 118.95 113.77 3mug s ARG 56 Ca -0.04 -0.64 0.05 0.00 -0.52 0.00 0.00 55.73 54.58 3mug s ARG 56 Cb 0.08 -2.92 -0.01 0.00 0.52 0.00 0.00 34.95 32.63 3mug s ARG 56 CO 0.82 -0.11 -0.19 0.15 0.02 0.00 0.00 175.30 175.99 3mug s LYS 57 N 1.23 1.73 -0.03 3.54 1.02 -1.26 -0.50 119.74 125.47 3mug s LYS 57 Ca 0.03 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.37 3mug s LYS 57 Cb -0.14 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 3mug s LYS 57 CO -0.02 0.35 -0.11 0.71 -0.92 0.00 0.00 175.35 175.35 3mug s TYR 58 N -0.24 1.14 0.06 3.18 1.51 0.22 -5.00 117.35 118.21 3mug s TYR 58 Ca 0.02 -0.30 0.06 0.00 -1.01 0.00 0.00 57.07 55.84 3mug s TYR 58 Cb -0.10 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 3mug s TYR 58 CO 0.01 -0.12 -0.16 -1.01 -1.11 0.00 0.00 175.55 173.16 3mug s HIS 59 N 0.16 1.41 0.78 2.71 3.76 -1.26 -1.40 115.29 121.46 3mug s HIS 59 Ca -0.03 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 3mug s HIS 59 Cb -0.09 -0.82 0.07 0.00 1.11 0.00 0.00 32.58 32.84 3mug s HIS 59 CO 0.01 0.08 1.11 -1.54 -0.85 0.00 0.00 174.74 173.54 3mug s SER 60 N -1.40 4.29 0.37 1.40 1.04 0.08 -4.78 113.70 114.71 3mug s SER 60 Ca 0.03 1.92 0.15 0.00 0.48 0.00 0.00 55.95 58.53 3mug s SER 60 Cb -0.09 -2.53 0.74 0.00 0.10 0.00 0.00 66.02 64.24 3mug s SER 60 CO 0.02 -2.18 1.80 0.44 0.98 0.00 0.00 173.24 174.30 3mug h ASP 61 N -1.11 0.00 1.21 7.02 3.32 -1.94 0.25 116.42 125.18 3mug h ASP 61 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3mug h ASP 61 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3mug h ASP 61 CO 0.50 0.38 0.00 0.77 -1.72 0.00 0.00 179.24 179.17 3mug h SER 62 N 0.00 0.00 0.00 6.45 4.64 -1.96 -3.29 113.55 119.39 3mug h SER 62 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3mug h SER 62 Cb 0.74 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3mug h SER 62 CO 0.05 0.00 -1.33 0.23 -0.87 0.00 0.00 176.83 174.91 3mug n MET 63 N -2.99 0.41 -1.64 4.77 2.81 -1.05 -4.95 117.12 114.47 3mug n MET 63 Ca 0.02 -0.06 -0.48 0.00 -1.81 0.00 0.00 57.70 55.37 3mug n MET 63 Cb 0.35 -1.16 -0.05 0.00 -0.71 0.00 0.00 33.22 31.65 3mug n MET 63 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 3mug n TRP 64 N -1.78 2.00 0.00 2.03 5.03 0.05 -1.24 117.44 123.54 3mug n TRP 64 Ca -0.02 0.41 0.00 0.00 3.03 0.00 0.00 57.50 60.92 3mug n TRP 64 Cb 0.22 -2.46 0.00 0.00 -1.03 0.00 0.00 31.31 28.03 3mug n TRP 64 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3mug n GLY 65 N 3.01 3.08 0.13 6.99 0.00 -1.26 -4.81 105.19 112.33 3mug n GLY 65 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3mug n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mug n ARG 66 N -0.88 0.66 -4.34 1.61 1.74 -0.37 -5.02 116.66 110.06 3mug n ARG 66 Ca 0.00 0.31 -0.27 0.00 -0.77 0.00 0.00 57.85 57.12 3mug n ARG 66 Cb 0.00 -1.64 -0.10 0.00 -1.02 0.00 0.00 32.46 29.70 3mug n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3mug s VAL 67 N -2.50 2.86 -0.06 1.55 -7.23 -0.96 -4.49 120.40 109.58 3mug s VAL 67 Ca -0.29 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.07 3mug s VAL 67 Cb 0.08 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.64 3mug s VAL 67 CO 0.65 -0.12 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.35 3mug s THR 68 N -1.72 0.79 -0.08 5.32 2.01 -0.25 -4.85 115.64 116.88 3mug s THR 68 Ca 0.23 -0.25 -0.10 0.00 0.31 0.00 0.00 61.69 61.88 3mug s THR 68 Cb -0.08 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 3mug s THR 68 CO 0.13 0.29 0.25 -0.51 -0.69 0.00 0.00 174.62 174.09 3mug s ILE 69 N 0.95 5.31 0.22 1.82 2.07 -1.26 -0.33 121.20 129.98 3mug s ILE 69 Ca -0.10 0.47 -0.13 0.00 -1.41 0.00 0.00 60.65 59.48 3mug s ILE 69 Cb -0.15 -3.53 0.00 0.00 0.13 0.00 0.00 42.46 38.91 3mug s ILE 69 CO 0.00 0.59 0.45 -0.94 -1.91 0.00 0.00 174.94 173.14 3mug s SER 70 N -0.98 -0.10 0.00 4.50 1.04 -1.07 -5.01 113.70 112.08 3mug s SER 70 Ca 0.18 -0.81 -0.15 0.00 0.48 0.00 0.00 55.95 55.65 3mug s SER 70 Cb -0.14 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.56 3mug s SER 70 CO 0.08 -1.07 0.32 0.00 0.98 0.00 0.00 173.24 173.55 3mug s ARG 71 N -3.97 0.73 -0.44 4.02 1.70 -1.26 -0.10 118.95 119.63 3mug s ARG 71 Ca 0.18 -0.28 0.03 0.00 -0.47 0.00 0.00 55.73 55.20 3mug s ARG 71 Cb 0.00 0.32 0.12 0.00 -0.57 0.00 0.00 34.95 34.82 3mug s ARG 71 CO 0.04 -0.22 0.19 0.34 -1.08 0.00 0.00 175.30 174.58 3mug s ASP 72 N -1.57 4.25 0.15 -2.89 3.68 -0.13 -4.98 116.67 115.18 3mug s ASP 72 Ca -0.11 -2.59 0.12 0.00 2.13 0.00 0.00 52.55 52.11 3mug s ASP 72 Cb -0.04 -1.43 0.62 0.00 -1.45 0.00 0.00 42.92 40.63 3mug s ASP 72 CO 0.02 -0.29 1.38 0.59 0.13 0.00 0.00 175.17 176.99 3mug n ASN 73 N 3.65 0.29 0.07 -0.34 3.02 -1.26 -1.33 115.26 119.35 3mug n ASN 73 Ca 0.05 0.62 0.03 0.00 -0.03 0.00 0.00 54.58 55.25 3mug n ASN 73 Cb 0.36 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.82 3mug n ASN 73 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3mug h SER 74 N 0.00 0.00 -0.22 6.41 4.64 -1.95 -3.36 113.55 119.06 3mug h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mug h SER 74 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3mug h SER 74 CO 0.00 0.44 0.00 0.29 -0.87 0.00 0.00 176.83 176.69 3mug n LYS 75 N -2.90 1.99 -3.42 4.77 5.02 -0.44 -5.01 118.16 118.17 3mug n LYS 75 Ca -0.06 -1.72 -0.25 0.00 -2.02 0.00 0.00 58.31 54.27 3mug n LYS 75 Cb 0.76 -1.25 0.02 0.00 -0.02 0.00 0.00 35.03 34.54 3mug n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mug n ASN 76 N 0.56 -4.75 -4.27 4.39 4.13 -0.59 -4.87 115.26 109.87 3mug n ASN 76 Ca 0.10 -0.47 -0.26 0.00 1.68 0.00 0.00 54.58 55.63 3mug n ASN 76 Cb 0.37 -3.85 -0.14 0.00 -1.54 0.00 0.00 39.78 34.62 3mug n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3mug s THR 77 N -3.10 1.75 0.05 3.41 2.01 -1.15 -0.80 115.64 117.80 3mug s THR 77 Ca 0.45 -1.23 0.06 0.00 0.31 0.00 0.00 61.69 61.28 3mug s THR 77 Cb -0.22 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 3mug s THR 77 CO 0.55 0.23 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.36 3mug s LEU 78 N -1.19 2.84 0.14 4.42 2.96 0.02 -0.96 118.68 126.91 3mug s LEU 78 Ca 0.08 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3mug s LEU 78 Cb -0.09 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3mug s LEU 78 CO 0.02 0.25 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.88 3mug s TYR 79 N -1.01 1.23 -0.08 5.38 2.02 0.85 -1.51 117.35 124.24 3mug s TYR 79 Ca 0.17 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 56.10 3mug s TYR 79 Cb -0.11 -0.63 0.04 0.00 -0.40 0.00 0.00 41.96 40.86 3mug s TYR 79 CO 0.08 0.07 0.06 -1.17 -1.57 0.00 0.00 175.55 173.01 3mug s LEU 80 N -3.02 0.26 -0.18 -1.29 2.96 -0.81 -2.61 118.68 113.99 3mug s LEU 80 Ca 0.14 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.87 3mug s LEU 80 Cb 0.01 -0.20 -0.03 0.00 0.50 0.00 0.00 46.19 46.47 3mug s LEU 80 CO 0.00 -0.27 0.01 -1.58 -1.32 0.00 0.00 176.35 173.20 3mug s GLN 81 N 2.14 3.77 0.24 1.98 2.00 0.55 -0.64 119.66 129.69 3mug s GLN 81 Ca 0.04 -0.45 0.03 0.00 -2.00 0.00 0.00 55.36 52.98 3mug s GLN 81 Cb -0.13 -3.09 0.03 0.00 0.80 0.00 0.00 33.01 30.62 3mug s GLN 81 CO -0.05 0.18 0.24 1.19 -0.50 0.00 0.00 175.29 176.35 3mug n PHE 82 N 3.78 -1.82 0.00 1.67 3.72 0.14 -1.09 117.46 123.86 3mug n PHE 82 Ca -0.17 -0.94 0.00 0.00 -0.05 0.00 0.00 57.45 56.30 3mug n PHE 82 Cb 0.52 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 3mug n PHE 82 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3mug n SER 82 N -2.28 0.00 -4.76 4.37 2.88 -1.10 -1.76 113.62 110.97 3mug n SER 82 Ca 0.03 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.21 3mug n SER 82 Cb 0.26 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.74 3mug n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3mug s LEU 82 N 0.00 3.70 0.08 2.46 1.43 0.40 -4.63 118.68 122.13 3mug s LEU 82 Ca 0.00 2.37 0.09 0.00 -1.03 0.00 0.00 54.13 55.56 3mug s LEU 82 Cb 0.00 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 3mug s LEU 82 CO 0.00 -1.50 -0.24 -1.59 0.23 0.00 0.00 176.35 173.25 3mug s LYS 83 N -3.28 1.40 0.61 1.70 0.00 -1.26 0.75 119.74 119.67 3mug s LYS 83 Ca 0.76 -1.15 0.29 0.00 0.00 0.00 0.00 55.97 55.87 3mug s LYS 83 Cb -0.30 -1.68 1.56 0.00 0.00 0.00 0.00 37.83 37.41 3mug s LYS 83 CO 0.33 0.41 1.95 -0.39 0.00 0.00 0.00 175.35 177.65 3mug h VAL 84 N 4.12 0.31 0.00 1.79 -1.51 -1.98 0.97 116.25 119.94 3mug h VAL 84 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3mug h VAL 84 Cb 1.16 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 3mug h VAL 84 CO 0.41 0.00 -0.03 -0.62 -1.23 0.00 0.00 177.57 176.10 3mug n GLU 85 N -3.55 0.01 0.00 5.19 4.71 -1.26 -3.56 120.64 122.19 3mug n GLU 85 Ca 0.04 0.01 0.13 0.00 -0.01 0.00 0.00 57.16 57.33 3mug n GLU 85 Cb 0.53 -1.52 0.63 0.00 -1.01 0.00 0.00 31.44 30.07 3mug n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3mug n ASP 86 N -1.54 0.00 -4.65 1.62 8.00 0.33 -4.85 116.55 115.46 3mug n ASP 86 Ca 0.07 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.12 3mug n ASP 86 Cb 0.34 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 3mug n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3mug n THR 87 N -1.32 0.63 -3.62 -3.53 -1.04 -1.23 -4.90 114.28 99.27 3mug n THR 87 Ca 0.11 -0.16 -0.01 0.00 -2.04 0.00 0.00 64.05 61.95 3mug n THR 87 Cb 0.22 -2.14 -0.01 0.00 -1.82 0.00 0.00 70.33 66.58 3mug n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mug s ALA 88 N 4.85 -2.14 0.03 2.41 0.00 -0.70 -4.42 121.76 121.79 3mug s ALA 88 Ca 0.93 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 53.54 3mug s ALA 88 Cb -0.55 0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 3mug s ALA 88 CO 0.46 -0.93 0.64 1.41 0.00 0.00 0.00 175.76 177.33 3mug s MET 89 N -2.52 4.35 -0.27 0.00 -2.45 -0.11 -0.68 119.30 117.63 3mug s MET 89 Ca 0.13 0.84 -0.04 0.00 -1.25 0.00 0.00 55.69 55.36 3mug s MET 89 Cb 0.03 -3.32 0.02 0.00 1.25 0.00 0.00 34.83 32.80 3mug s MET 89 CO -0.04 0.42 -0.00 -0.06 1.05 0.00 0.00 175.02 176.39 3mug s PHE 90 N -0.41 3.10 -0.09 4.11 0.08 0.51 -0.57 117.98 124.71 3mug s PHE 90 Ca 0.33 -1.28 -0.04 0.00 0.12 0.00 0.00 56.93 56.05 3mug s PHE 90 Cb -0.19 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.08 3mug s PHE 90 CO 0.19 -0.65 0.09 -0.06 -0.10 0.00 0.00 175.22 174.69 3mug s PHE 91 N 1.41 3.42 -0.23 0.36 0.08 0.23 -1.65 117.98 121.59 3mug s PHE 91 Ca 0.01 0.37 -0.08 0.00 0.12 0.00 0.00 56.93 57.35 3mug s PHE 91 Cb -0.17 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3mug s PHE 91 CO -0.01 0.62 0.10 0.00 -0.10 0.00 0.00 175.22 175.83 3mug s ALA 93 N 1.11 0.71 0.18 0.00 0.00 -0.78 -1.17 121.76 121.80 3mug s ALA 93 Ca 0.05 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 3mug s ALA 93 Cb -0.14 -0.34 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 3mug s ALA 93 CO 0.04 0.07 0.92 0.50 0.00 0.00 0.00 175.76 177.28 3mug s ARG 94 N 0.49 4.75 -0.14 0.00 3.52 -0.21 -0.18 118.95 127.17 3mug s ARG 94 Ca -0.07 1.41 -0.26 0.00 -0.13 0.00 0.00 55.73 56.68 3mug s ARG 94 Cb -0.11 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 3mug s ARG 94 CO 0.00 0.41 0.86 -2.00 -0.81 0.00 0.00 175.30 173.76 3mug s GLU 95 N -0.71 4.34 0.37 5.12 2.56 0.10 -2.53 118.70 127.96 3mug s GLU 95 Ca 0.42 1.09 -0.28 0.00 0.00 0.00 0.00 54.97 56.21 3mug s GLU 95 Cb -0.24 -3.55 -0.10 0.00 2.00 0.00 0.00 34.13 32.23 3mug s GLU 95 CO 0.30 -0.28 1.37 0.00 -0.56 0.00 0.00 175.26 176.09 3mug s ALA 96 N 1.95 3.45 0.19 6.30 0.00 0.16 -4.21 121.76 129.59 3mug s ALA 96 Ca 0.41 1.36 -0.24 0.00 0.00 0.00 0.00 51.96 53.49 3mug s ALA 96 Cb -0.17 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.47 3mug s ALA 96 CO 0.15 -0.84 0.81 0.20 0.00 0.00 0.00 175.76 176.08 3mug s GLY 97 N -0.44 -0.25 0.00 0.00 0.00 -1.26 -0.39 107.32 104.98 3mug s GLY 97 Ca 0.53 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.34 3mug s GLY 97 CO 0.55 0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.29 3mug n GLY 98 N -0.43 -0.65 3.83 0.20 0.00 -0.70 -4.93 105.19 102.51 3mug n GLY 98 Ca -0.07 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 3mug n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mug s PRO 99 N -1.48 3.02 -0.15 1.61 0.04 -1.26 -0.79 135.00 135.98 3mug s PRO 99 Ca 0.00 0.91 -0.12 0.00 0.04 0.00 0.00 61.00 61.82 3mug s PRO 99 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 3mug s PRO 99 CO 0.00 -1.03 0.24 0.42 0.04 0.00 0.00 177.00 176.68 3mug s ILE 100 N -3.07 5.33 -0.10 0.56 -1.09 0.67 -4.83 121.20 118.68 3mug s ILE 100 Ca 0.58 0.44 -0.12 0.00 -2.23 0.00 0.00 60.65 59.32 3mug s ILE 100 Cb -0.13 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 3mug s ILE 100 CO 0.55 0.44 0.29 0.26 -1.23 0.00 0.00 174.94 175.25 3mug s TRP 100 N 0.14 3.59 -0.33 3.97 0.52 -1.26 0.23 118.94 125.80 3mug s TRP 100 Ca 0.15 0.71 0.16 0.00 0.02 0.00 0.00 56.10 57.14 3mug s TRP 100 Cb -0.13 -2.21 0.44 0.00 -1.15 0.00 0.00 33.47 30.43 3mug s TRP 100 CO 0.03 0.51 1.24 1.58 0.02 0.00 0.00 176.95 180.33 3mug n HIS 100 N 2.55 -0.47 0.00 -1.98 -0.00 -1.26 -4.93 115.22 109.12 3mug n HIS 100 Ca -0.15 -2.14 0.00 0.00 0.46 0.00 0.00 57.72 55.89 3mug n HIS 100 Cb 0.53 0.61 0.00 0.00 -0.12 0.00 0.00 29.99 31.01 3mug n HIS 100 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 3mug n ASP 100 N -0.71 0.00 -4.04 0.26 4.64 -1.26 -4.82 116.55 110.62 3mug n ASP 100 Ca -0.01 0.00 -0.28 0.00 -1.38 0.00 0.00 54.79 53.12 3mug n ASP 100 Cb 0.84 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.75 3mug n ASP 100 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3mug s VAL 100 N 0.00 1.41 -0.12 5.18 1.01 -1.26 -5.13 120.40 121.49 3mug s VAL 100 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 3mug s VAL 100 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3mug s VAL 100 CO 0.00 0.42 1.07 -0.54 0.00 0.00 0.00 175.10 176.05 3mug s LYS 100 N 1.00 4.36 0.38 2.72 1.02 -1.26 -4.25 119.74 123.72 3mug s LYS 100 Ca -0.07 1.45 0.08 0.00 0.02 0.00 0.00 55.97 57.46 3mug s LYS 100 Cb -0.15 -3.58 -0.06 0.00 -0.52 0.00 0.00 37.83 33.53 3mug s LYS 100 CO -0.01 -0.43 0.08 0.71 -0.92 0.00 0.00 175.35 174.78 3mug s TYR 100 N 2.38 2.57 0.50 3.18 1.51 0.14 -4.93 117.35 122.70 3mug s TYR 100 Ca 0.49 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 56.04 3mug s TYR 100 Cb -0.19 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 3mug s TYR 100 CO 0.16 0.35 0.13 0.34 -1.11 0.00 0.00 175.55 175.42 3mug s ASP 100 N -3.79 4.28 0.40 2.29 2.15 0.56 -0.24 116.67 122.32 3mug s ASP 100 Ca 0.37 -1.47 -0.25 0.00 0.43 0.00 0.00 52.55 51.64 3mug s ASP 100 Cb 0.03 0.33 -0.11 0.00 -0.30 0.00 0.00 42.92 42.88 3mug s ASP 100 CO 0.20 -0.87 1.06 0.49 -0.17 0.00 0.00 175.17 175.89 3mug n PHE 100 N -1.38 1.39 -3.70 -5.34 3.72 -1.26 -2.89 117.46 107.99 3mug n PHE 100 Ca -0.12 0.56 -0.22 0.00 -0.05 0.00 0.00 57.45 57.63 3mug n PHE 100 Cb 0.66 -2.26 0.04 0.00 -0.94 0.00 0.00 39.48 36.97 3mug n PHE 100 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3mug n ASN 100 N 0.54 -1.57 -0.85 4.37 3.02 -1.26 -2.56 115.26 116.95 3mug n ASN 100 Ca 0.09 -0.80 -0.09 0.00 -0.03 0.00 0.00 54.58 53.74 3mug n ASN 100 Cb 0.38 -4.13 -0.04 0.00 -0.61 0.00 0.00 39.78 35.39 3mug n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mug n ASP 100 N -3.04 -4.40 -3.85 6.41 8.00 -1.16 -5.19 116.55 113.32 3mug n ASP 100 Ca -0.27 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3mug n ASP 100 Cb 0.66 -3.42 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 3mug n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mug n GLY 100 N 0.15 -2.61 2.97 0.44 0.00 -1.06 -4.73 105.19 100.36 3mug n GLY 100 Ca -0.09 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 3mug n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mug s TYR 100 N 0.00 0.40 0.28 1.61 2.02 0.03 -0.32 117.35 121.37 3mug s TYR 100 Ca 0.00 -0.25 -0.29 0.00 -0.37 0.00 0.00 57.07 56.16 3mug s TYR 100 Cb 0.00 -0.26 -0.09 0.00 -0.40 0.00 0.00 41.96 41.21 3mug s TYR 100 CO 0.00 -0.05 1.09 -0.80 -1.57 0.00 0.00 175.55 174.21 3mug s ASN 100 N -0.70 7.26 0.00 2.29 0.01 -1.26 -1.72 114.94 120.82 3mug s ASN 100 Ca -0.04 2.24 0.23 0.00 -0.71 0.00 0.00 52.86 54.58 3mug s ASN 100 Cb -0.05 -2.62 0.15 0.00 0.41 0.00 0.00 41.25 39.14 3mug s ASN 100 CO -0.00 -0.14 1.20 -1.22 -1.51 0.00 0.00 177.10 175.42 3mug n TYR 100 N 1.14 0.00 -3.24 2.20 4.01 0.48 -4.94 117.16 116.81 3mug n TYR 100 Ca -0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.57 3mug n TYR 100 Cb 0.45 -0.02 0.07 0.00 -0.31 0.00 0.00 39.34 39.53 3mug n TYR 100 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3mug n HIS 100 N 0.07 -2.00 -3.51 -0.72 8.25 -1.26 -5.00 115.22 111.06 3mug n HIS 100 Ca 0.11 0.76 -0.16 0.00 -0.26 0.00 0.00 57.72 58.17 3mug n HIS 100 Cb 0.47 -4.27 -0.05 0.00 1.12 0.00 0.00 29.99 27.26 3mug n HIS 100 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3mug s TYR 100 N -3.26 -0.61 -0.43 4.41 -0.85 -1.26 -5.06 117.35 110.28 3mug s TYR 100 Ca 0.24 0.96 -0.14 0.00 -0.52 0.00 0.00 57.07 57.61 3mug s TYR 100 Cb -0.11 0.44 0.04 0.00 0.38 0.00 0.00 41.96 42.71 3mug s TYR 100 CO 0.57 -0.62 0.32 -1.64 -1.52 0.00 0.00 175.55 172.66 3mug s MET 100 N -1.57 2.92 0.13 -3.49 -1.94 -1.26 -0.67 119.30 113.42 3mug s MET 100 Ca -0.08 -1.18 0.21 0.00 -1.71 0.00 0.00 55.69 52.93 3mug s MET 100 Cb -0.00 -3.99 -0.09 0.00 2.01 0.00 0.00 34.83 32.77 3mug s MET 100 CO 0.06 -0.86 0.88 -0.40 -0.01 0.00 0.00 175.02 174.70 3mug n ASP 101 N 5.13 0.71 -4.02 3.03 5.75 -1.05 -4.88 116.55 121.23 3mug n ASP 101 Ca -0.12 0.28 -0.22 0.00 -0.01 0.00 0.00 54.79 54.72 3mug n ASP 101 Cb 0.45 0.62 -0.16 0.00 -1.03 0.00 0.00 41.12 41.00 3mug n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3mug s VAL 102 N -3.26 0.96 0.05 2.12 1.01 -1.26 -5.02 120.40 115.00 3mug s VAL 102 Ca -0.02 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3mug s VAL 102 Cb 0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3mug s VAL 102 CO 0.81 0.30 -0.13 0.26 0.00 0.00 0.00 175.10 176.35 3mug s TRP 103 N 0.40 1.12 0.65 5.22 0.52 -1.26 -1.05 118.94 124.54 3mug s TRP 103 Ca -0.08 -0.42 -0.00 0.00 0.02 0.00 0.00 56.10 55.62 3mug s TRP 103 Cb -0.12 -0.65 0.08 0.00 -1.15 0.00 0.00 33.47 31.64 3mug s TRP 103 CO 0.02 0.03 0.90 0.20 0.02 0.00 0.00 176.95 178.12 3mug s GLY 104 N -1.46 1.78 0.00 0.98 0.00 -0.32 -4.59 107.32 103.71 3mug s GLY 104 Ca -0.02 -1.50 0.28 0.00 0.00 0.00 0.00 44.72 43.48 3mug s GLY 104 CO 0.02 -1.06 1.81 0.28 0.00 0.00 0.00 173.10 174.15 3mug n LYS 105 N -2.63 0.07 0.00 2.90 5.02 -1.26 -4.74 118.16 117.52 3mug n LYS 105 Ca 0.11 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3mug n LYS 105 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3mug n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mug n GLY 106 N 1.47 0.45 3.04 0.72 0.00 -1.26 -5.01 105.19 104.60 3mug n GLY 106 Ca 0.08 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 3mug n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mug s THR 107 N -2.90 1.20 -0.11 2.61 -1.32 -0.66 -4.78 115.64 109.67 3mug s THR 107 Ca 0.00 -0.52 -0.15 0.00 -1.21 0.00 0.00 61.69 59.81 3mug s THR 107 Cb 0.00 -1.09 -0.05 0.00 -1.51 0.00 0.00 72.50 69.85 3mug s THR 107 CO 0.00 0.37 0.37 -0.89 -2.21 0.00 0.00 174.62 172.26 3mug s THR 108 N 0.63 5.22 -0.22 5.08 2.01 -1.26 -0.36 115.64 126.74 3mug s THR 108 Ca -0.15 0.72 -0.03 0.00 0.31 0.00 0.00 61.69 62.54 3mug s THR 108 Cb -0.16 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 3mug s THR 108 CO 0.04 0.41 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.64 3mug s VAL 109 N 0.16 3.26 -0.29 3.82 1.01 0.14 -0.62 120.40 127.89 3mug s VAL 109 Ca 0.21 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3mug s VAL 109 Cb -0.14 -2.48 0.07 0.00 0.00 0.00 0.00 36.38 33.83 3mug s VAL 109 CO 0.08 0.43 -0.05 0.42 0.00 0.00 0.00 175.10 175.97 3mug s THR 110 N 1.46 2.36 -0.45 3.92 -4.23 -0.03 -1.73 115.64 116.96 3mug s THR 110 Ca 0.06 -1.73 -0.22 0.00 -1.18 0.00 0.00 61.69 58.62 3mug s THR 110 Cb -0.14 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.27 3mug s THR 110 CO -0.04 -0.16 0.70 -0.69 -0.54 0.00 0.00 174.62 173.88 3mug s VAL 111 N 1.09 4.76 -0.16 2.29 1.01 -1.26 -1.27 120.40 126.87 3mug s VAL 111 Ca -0.04 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 3mug s VAL 111 Cb -0.20 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 31.97 3mug s VAL 111 CO -0.05 -0.66 0.40 -0.55 0.00 0.00 0.00 175.10 174.24 3mug s SER 112 N 2.09 -0.46 0.12 3.32 0.15 -0.41 -4.63 113.70 113.88 3mug s SER 112 Ca 0.25 0.84 0.26 0.00 0.70 0.00 0.00 55.95 57.99 3mug s SER 112 Cb -0.14 0.78 0.65 0.00 -1.71 0.00 0.00 66.02 65.61 3mug s SER 112 CO 0.20 -0.16 1.57 -1.54 1.20 0.00 0.00 173.24 174.51 3mug n SER 113 N 3.55 0.61 -4.75 5.45 3.41 -1.26 -4.03 113.62 116.60 3mug n SER 113 Ca -0.18 0.28 -0.34 0.00 -0.26 0.00 0.00 58.87 58.36 3mug n SER 113 Cb 0.56 -0.24 0.06 0.00 -0.26 0.00 0.00 64.21 64.34 3mug n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mug s ALA 114 N -3.10 2.35 0.44 7.33 0.00 -1.26 -5.04 121.76 122.47 3mug s ALA 114 Ca 0.09 0.78 0.05 0.00 0.00 0.00 0.00 51.96 52.89 3mug s ALA 114 Cb 0.14 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 3mug s ALA 114 CO 0.65 -1.48 0.02 0.45 0.00 0.00 0.00 175.76 175.40 3mug s SER 115 N -2.13 3.99 0.09 0.00 0.15 -1.26 -5.07 113.70 109.47 3mug s SER 115 Ca 0.72 -1.43 -0.34 0.00 0.70 0.00 0.00 55.95 55.60 3mug s SER 115 Cb -0.26 -0.15 -0.13 0.00 -1.71 0.00 0.00 66.02 63.77 3mug s SER 115 CO 0.41 -0.57 1.66 0.41 1.20 0.00 0.00 173.24 176.35 3mug n THR 116 N -1.07 0.17 -3.81 6.45 -1.04 -1.26 -4.68 114.28 109.03 3mug n THR 116 Ca -0.09 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.05 61.77 3mug n THR 116 Cb 0.67 -1.63 -0.13 0.00 -1.82 0.00 0.00 70.33 67.42 3mug n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3mug s LYS 117 N 1.80 0.19 0.46 -2.82 2.47 -0.16 -4.96 119.74 116.72 3mug s LYS 117 Ca 0.83 0.26 -0.09 0.00 -1.56 0.00 0.00 55.97 55.41 3mug s LYS 117 Cb -0.68 0.07 -0.05 0.00 -1.46 0.00 0.00 37.83 35.71 3mug s LYS 117 CO 0.42 -0.04 0.81 0.20 0.16 0.00 0.00 175.35 176.90 3mug s GLY 118 N 0.22 1.74 0.67 5.54 0.00 -1.26 -1.86 107.32 112.36 3mug s GLY 118 Ca -0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 44.72 44.31 3mug s GLY 118 CO -0.01 -0.10 1.04 2.56 0.00 0.00 0.00 173.10 176.59 3mug s PRO 119 N -4.36 2.94 -0.17 2.90 0.04 -1.26 -4.50 135.00 130.59 3mug s PRO 119 Ca 0.50 0.38 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 3mug s PRO 119 Cb -0.10 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3mug s PRO 119 CO 0.39 -0.91 0.03 -1.12 0.04 0.00 0.00 177.00 175.44 3mug s SER 120 N -4.33 5.39 -0.19 6.66 0.01 0.69 -4.94 113.70 116.99 3mug s SER 120 Ca 0.57 0.02 -0.03 0.00 1.31 0.00 0.00 55.95 57.82 3mug s SER 120 Cb -0.11 -1.91 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 3mug s SER 120 CO 0.50 0.18 -0.07 -0.69 0.41 0.00 0.00 173.24 173.57 3mug s VAL 121 N 0.35 3.27 0.03 3.43 1.01 -1.26 0.14 120.40 127.37 3mug s VAL 121 Ca 0.01 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.54 3mug s VAL 121 Cb -0.13 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3mug s VAL 121 CO 0.01 0.46 -0.26 -0.36 0.00 0.00 0.00 175.10 174.95 3mug s PHE 122 N 1.12 2.29 0.28 5.22 0.08 0.39 -4.96 117.98 122.39 3mug s PHE 122 Ca 0.01 -0.42 -0.27 0.00 0.12 0.00 0.00 56.93 56.38 3mug s PHE 122 Cb -0.15 -1.40 -0.09 0.00 -0.57 0.00 0.00 43.02 40.82 3mug s PHE 122 CO -0.01 0.08 0.91 -1.25 -0.10 0.00 0.00 175.22 174.85 3mug s PRO 123 N -1.08 4.65 -0.96 0.24 0.04 -1.26 -0.09 135.00 136.53 3mug s PRO 123 Ca 0.11 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.43 3mug s PRO 123 Cb -0.10 -3.00 0.24 0.00 0.04 0.00 0.00 34.50 31.68 3mug s PRO 123 CO 0.01 0.39 0.89 -0.51 0.04 0.00 0.00 177.00 177.82 3mug s LEU 124 N -1.69 5.88 0.30 -3.56 1.43 -0.20 -4.82 118.68 116.02 3mug s LEU 124 Ca 0.45 -3.60 -0.30 0.00 -1.03 0.00 0.00 54.13 49.66 3mug s LEU 124 Cb -0.21 -2.03 -0.12 0.00 0.03 0.00 0.00 46.19 43.86 3mug s LEU 124 CO 0.26 -0.25 1.48 0.00 0.23 0.00 0.00 176.35 178.08 3mug n ALA 125 N 2.58 1.95 -1.79 4.21 0.00 -1.26 -1.17 120.51 125.03 3mug n ALA 125 Ca 0.21 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.68 3mug n ALA 125 Cb 0.38 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 3mug n ALA 125 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mug s PRO 126 N -0.96 3.71 0.18 0.00 0.04 -1.26 -4.91 135.00 131.80 3mug s PRO 126 Ca 0.62 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 3mug s PRO 126 Cb -0.54 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 31.90 3mug s PRO 126 CO 0.53 -0.53 0.33 -1.13 0.04 0.00 0.00 177.00 176.24 3mug n SER 127 N -0.98 -0.94 -0.28 6.66 3.41 -1.26 -3.95 113.62 116.29 3mug n SER 127 Ca 0.10 -1.82 -0.03 0.00 -0.26 0.00 0.00 58.87 56.85 3mug n SER 127 Cb 0.52 1.61 0.09 0.00 -0.26 0.00 0.00 64.21 66.17 3mug n SER 127 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3mug h SER 128 N 0.95 0.82 -0.12 4.04 4.64 -1.96 -2.59 113.55 119.34 3mug h SER 128 Ca -0.15 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.20 3mug h SER 128 Cb 0.59 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3mug h SER 128 CO 0.20 0.57 0.24 0.11 -0.87 0.00 0.00 176.83 177.07 3mug h LYS 129 N 0.97 0.00 -0.13 4.77 6.56 -1.98 -1.19 116.57 125.57 3mug h LYS 129 Ca 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 3mug h LYS 129 Cb -0.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 3mug h LYS 129 CO -0.10 0.00 0.00 -1.13 -2.06 0.00 0.00 179.45 176.16 3mug n SER 130 N -3.35 2.21 -4.55 0.86 3.41 -1.00 -4.96 113.62 106.25 3mug n SER 130 Ca 0.00 -1.64 -0.40 0.00 -0.26 0.00 0.00 58.87 56.57 3mug n SER 130 Cb 0.33 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 3mug n SER 130 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mug s THR 133 N -0.90 5.23 -0.93 6.66 2.01 -0.45 -0.49 115.64 126.77 3mug s THR 133 Ca 0.15 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.15 3mug s THR 133 Cb 0.09 -3.75 0.32 0.00 0.01 0.00 0.00 72.50 69.18 3mug s THR 133 CO 0.13 -0.01 1.58 -1.20 -0.69 0.00 0.00 174.62 174.42 3mug n SER 134 N 5.25 6.56 0.00 3.53 7.64 -0.21 -4.97 113.62 131.42 3mug n SER 134 Ca -0.11 -3.66 0.00 0.00 1.01 0.00 0.00 58.87 56.12 3mug n SER 134 Cb 0.50 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3mug n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mug n GLY 135 N 0.06 2.04 0.17 0.23 0.00 -1.26 -3.91 105.19 102.52 3mug n GLY 135 Ca 0.41 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 3mug n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mug h GLY 136 N 0.00 0.54 -2.02 -0.02 0.00 -1.98 -3.46 103.07 96.14 3mug h GLY 136 Ca 0.00 -0.45 -0.48 0.00 0.00 0.00 0.00 47.33 46.41 3mug h GLY 136 CO 0.00 0.41 -0.24 -0.51 0.00 0.00 0.00 176.54 176.20 3mug s THR 137 N -4.76 2.50 -0.04 4.70 -4.23 -1.25 -1.62 115.64 110.94 3mug s THR 137 Ca -0.13 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.22 3mug s THR 137 Cb 0.08 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.30 3mug s THR 137 CO 0.77 0.00 0.10 0.00 -0.54 0.00 0.00 174.62 174.94 3mug s ALA 138 N -2.52 -0.23 -0.11 3.99 0.00 0.40 -1.04 121.76 122.24 3mug s ALA 138 Ca 0.53 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3mug s ALA 138 Cb -0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 3mug s ALA 138 CO 0.33 -0.05 0.24 0.00 0.00 0.00 0.00 175.76 176.27 3mug s ALA 139 N 0.11 3.75 0.04 0.00 0.00 0.36 -0.83 121.76 125.19 3mug s ALA 139 Ca -0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 3mug s ALA 139 Cb -0.01 -2.19 -0.00 0.00 0.00 0.00 0.00 23.12 20.92 3mug s ALA 139 CO -0.00 0.40 0.17 -0.48 0.00 0.00 0.00 175.76 175.85 3mug s LEU 140 N -0.51 1.49 0.00 0.00 0.05 -0.70 -4.23 118.68 114.78 3mug s LEU 140 Ca 0.16 -0.41 0.00 0.00 0.05 0.00 0.00 54.13 53.93 3mug s LEU 140 Cb -0.13 0.85 0.00 0.00 -2.05 0.00 0.00 46.19 44.86 3mug s LEU 140 CO 0.05 -0.54 0.00 0.61 -0.55 0.00 0.00 176.35 175.92 3mug n GLY 141 N 0.71 2.71 2.84 -3.48 0.00 -0.32 -0.45 105.19 107.20 3mug n GLY 141 Ca -0.19 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.49 3mug n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mug s LEU 143 N 1.26 4.10 -0.74 0.00 2.96 0.87 -2.07 118.68 125.05 3mug s LEU 143 Ca -0.06 0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 54.16 3mug s LEU 143 Cb -0.14 -2.62 0.19 0.00 0.50 0.00 0.00 46.19 44.13 3mug s LEU 143 CO -0.02 -0.31 0.62 -0.69 -1.32 0.00 0.00 176.35 174.63 3mug s VAL 144 N 2.30 4.61 0.16 1.68 1.01 0.45 -0.46 120.40 130.15 3mug s VAL 144 Ca 0.20 -2.85 -0.06 0.00 0.00 0.00 0.00 61.98 59.28 3mug s VAL 144 Cb -0.16 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 3mug s VAL 144 CO 0.10 -0.96 0.41 -0.54 0.00 0.00 0.00 175.10 174.11 3mug s LYS 145 N -0.11 3.65 -0.87 2.72 1.02 0.12 -1.32 119.74 124.95 3mug s LYS 145 Ca 0.19 -0.02 -0.05 0.00 0.02 0.00 0.00 55.97 56.11 3mug s LYS 145 Cb -0.15 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 3mug s LYS 145 CO -0.06 0.43 0.63 -0.25 -0.92 0.00 0.00 175.35 175.18 3mug n ASP 146 N 0.02 -5.12 -4.56 2.83 8.00 -0.92 -0.22 116.55 116.57 3mug n ASP 146 Ca -0.02 -0.91 -0.26 0.00 0.71 0.00 0.00 54.79 54.31 3mug n ASP 146 Cb 0.52 -2.14 -0.11 0.00 -0.02 0.00 0.00 41.12 39.37 3mug n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mug s TYR 147 N -3.07 2.40 -0.28 1.24 -0.85 -0.23 -4.43 117.35 112.13 3mug s TYR 147 Ca 0.07 -0.59 -0.23 0.00 -0.52 0.00 0.00 57.07 55.81 3mug s TYR 147 Cb -0.04 -1.50 0.11 0.00 0.38 0.00 0.00 41.96 40.92 3mug s TYR 147 CO 0.89 0.50 0.90 0.12 -1.52 0.00 0.00 175.55 176.44 3mug s PHE 148 N -2.69 -0.64 0.32 -3.49 5.36 -0.78 -0.70 117.98 115.35 3mug s PHE 148 Ca 0.33 1.48 -0.04 0.00 -0.96 0.00 0.00 56.93 57.74 3mug s PHE 148 Cb 0.05 0.37 0.07 0.00 -0.34 0.00 0.00 43.02 43.17 3mug s PHE 148 CO 0.17 -0.31 0.43 -0.35 -1.46 0.00 0.00 175.22 173.69 3mug n PRO 149 N 2.81 -0.24 -0.30 10.12 -0.04 -1.26 -0.99 135.00 145.10 3mug n PRO 149 Ca -0.15 -0.77 0.09 0.00 -0.04 0.00 0.00 63.50 62.64 3mug n PRO 149 Cb 0.56 -0.41 0.22 0.00 -0.04 0.00 0.00 33.50 33.83 3mug n PRO 149 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3mug h GLU 150 N 0.00 0.08 -6.14 0.54 4.22 -2.00 -3.44 114.58 107.85 3mug h GLU 150 Ca -0.14 -0.00 -0.52 0.00 0.08 0.00 0.00 59.36 58.77 3mug h GLU 150 Cb 0.41 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3mug h GLU 150 CO 0.11 0.05 1.26 -1.25 -2.18 0.00 0.00 179.01 177.00 3mug s PRO 151 N -6.06 2.90 -0.08 0.92 0.04 -1.26 -4.96 135.00 126.49 3mug s PRO 151 Ca -0.13 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.49 3mug s PRO 151 Cb 0.25 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 3mug s PRO 151 CO 0.77 -2.42 -0.17 0.08 0.04 0.00 0.00 177.00 175.30 3mug s VAL 152 N 7.85 2.76 -0.07 -0.36 1.01 -1.26 -4.23 120.40 126.10 3mug s VAL 152 Ca 0.62 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.85 3mug s VAL 152 Cb -0.13 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 3mug s VAL 152 CO 0.22 0.56 -0.24 -0.89 0.00 0.00 0.00 175.10 174.75 3mug s THR 153 N -0.16 2.14 -0.08 3.92 2.01 -0.19 -4.97 115.64 118.32 3mug s THR 153 Ca -0.02 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 60.98 3mug s THR 153 Cb -0.14 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.59 3mug s THR 153 CO 0.04 0.57 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.69 3mug s VAL 154 N -0.06 1.39 0.26 3.82 1.01 -1.26 0.37 120.40 125.93 3mug s VAL 154 Ca -0.06 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.36 3mug s VAL 154 Cb -0.15 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 3mug s VAL 154 CO 0.05 0.41 -0.08 -0.94 0.00 0.00 0.00 175.10 174.54 3mug s SER 156 N 0.63 2.73 -0.06 3.32 1.04 -0.19 -4.96 113.70 116.21 3mug s SER 156 Ca -0.15 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.16 3mug s SER 156 Cb -0.16 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.80 3mug s SER 156 CO 0.04 -0.31 -0.14 0.26 0.98 0.00 0.00 173.24 174.08 3mug s TRP 157 N -3.00 1.51 -1.53 5.02 0.52 -1.26 -0.16 118.94 120.04 3mug s TRP 157 Ca 0.28 -0.52 -0.14 0.00 0.02 0.00 0.00 56.10 55.75 3mug s TRP 157 Cb 0.03 -1.07 0.09 0.00 -1.15 0.00 0.00 33.47 31.36 3mug s TRP 157 CO 0.11 -0.24 0.97 0.09 0.02 0.00 0.00 176.95 177.90 3mug n ASN 162 N 3.59 -4.66 -1.42 2.95 4.13 0.05 -1.74 115.26 118.17 3mug n ASN 162 Ca -0.21 -0.79 -0.16 0.00 1.68 0.00 0.00 54.58 55.10 3mug n ASN 162 Cb 0.52 -3.85 -0.05 0.00 -1.54 0.00 0.00 39.78 34.87 3mug n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3mug n SER 163 N -2.83 -4.86 0.00 6.41 7.64 -1.26 -2.50 113.62 116.21 3mug n SER 163 Ca 0.03 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.17 3mug n SER 163 Cb 0.53 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 3mug n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mug n GLY 164 N -1.02 1.28 0.30 0.23 0.00 -0.71 -4.95 105.19 100.32 3mug n GLY 164 Ca -0.17 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.04 3mug n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mug h ALA 165 N 0.00 1.08 -3.20 4.61 0.00 -1.47 -3.39 119.26 116.89 3mug h ALA 165 Ca 0.00 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.22 3mug h ALA 165 Cb 0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.46 3mug h ALA 165 CO 0.00 0.03 -0.78 -1.17 0.00 0.00 0.00 179.25 177.33 3mug s LEU 166 N -6.46 2.83 0.00 0.00 0.20 -0.96 -4.92 118.68 109.37 3mug s LEU 166 Ca -0.03 -0.75 0.00 0.00 0.69 0.00 0.00 54.13 54.04 3mug s LEU 166 Cb 0.12 -1.61 0.00 0.00 -0.43 0.00 0.00 46.19 44.27 3mug s LEU 166 CO 0.50 -0.07 0.00 0.35 -0.29 0.00 0.00 176.35 176.83 3mug n THR 167 N 4.66 0.00 -2.53 3.68 -2.24 -1.26 -4.01 114.28 112.58 3mug n THR 167 Ca -0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 3mug n THR 167 Cb 0.48 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 3mug n THR 167 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3mug s SER 168 N -1.08 6.77 0.00 3.42 0.01 -1.26 -3.25 113.70 118.31 3mug s SER 168 Ca 0.00 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.31 3mug s SER 168 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3mug s SER 168 CO 0.00 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.24 3mug n GLY 169 N 4.21 0.60 3.71 3.44 0.00 -1.26 -4.66 105.19 111.23 3mug n GLY 169 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3mug n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mug s VAL 171 N -2.39 4.69 -0.04 1.61 1.01 -1.20 -3.11 120.40 120.96 3mug s VAL 171 Ca 0.00 1.96 -0.02 0.00 0.00 0.00 0.00 61.98 63.92 3mug s VAL 171 Cb 0.00 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.16 3mug s VAL 171 CO 0.00 0.17 0.06 -2.28 0.00 0.00 0.00 175.10 173.05 3mug s HIS 172 N 0.90 0.02 -0.29 5.22 5.65 -0.01 -5.01 115.29 121.77 3mug s HIS 172 Ca 0.53 0.26 -0.07 0.00 0.25 0.00 0.00 55.06 56.03 3mug s HIS 172 Cb -0.23 -0.36 0.00 0.00 -1.18 0.00 0.00 32.58 30.82 3mug s HIS 172 CO 0.28 -0.16 0.08 0.99 -0.65 0.00 0.00 174.74 175.29 3mug s THR 173 N 1.78 4.06 0.49 0.89 2.01 -1.26 -0.34 115.64 123.26 3mug s THR 173 Ca -0.00 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.20 3mug s THR 173 Cb -0.12 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.24 3mug s THR 173 CO -0.03 0.11 1.01 -0.36 -0.69 0.00 0.00 174.62 174.66 3mug s PHE 174 N 1.52 3.14 0.65 4.92 0.40 -0.12 -5.00 117.98 123.49 3mug s PHE 174 Ca 0.03 1.56 -0.18 0.00 -0.60 0.00 0.00 56.93 57.74 3mug s PHE 174 Cb -0.17 -2.96 -0.01 0.00 0.51 0.00 0.00 43.02 40.39 3mug s PHE 174 CO 0.03 -0.63 1.25 -1.25 0.70 0.00 0.00 175.22 175.31 3mug s PRO 175 N -3.49 2.61 0.56 0.24 0.04 -1.26 -4.40 135.00 129.31 3mug s PRO 175 Ca 0.64 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 63.44 3mug s PRO 175 Cb -0.14 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3mug s PRO 175 CO 0.23 -1.52 1.06 0.00 0.04 0.00 0.00 177.00 176.82 3mug s ALA 176 N -1.57 2.75 0.05 8.56 0.00 -1.26 -4.77 121.76 125.52 3mug s ALA 176 Ca 0.79 0.51 0.06 0.00 0.00 0.00 0.00 51.96 53.33 3mug s ALA 176 Cb -0.34 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3mug s ALA 176 CO 0.39 -0.69 -0.13 0.54 0.00 0.00 0.00 175.76 175.86 3mug s VAL 177 N -2.23 3.17 -0.61 0.00 0.11 -0.02 -4.94 120.40 115.89 3mug s VAL 177 Ca 0.66 -1.12 -0.05 0.00 -2.93 0.00 0.00 61.98 58.54 3mug s VAL 177 Cb -0.17 -2.40 0.16 0.00 -1.53 0.00 0.00 36.38 32.44 3mug s VAL 177 CO 0.31 0.28 0.45 -0.22 -3.33 0.00 0.00 175.10 172.59 3mug s LEU 178 N -1.68 5.54 1.00 2.54 2.96 -1.26 -2.10 118.68 125.67 3mug s LEU 178 Ca 0.17 -2.59 -0.11 0.00 -0.22 0.00 0.00 54.13 51.38 3mug s LEU 178 Cb -0.11 -1.93 0.19 0.00 0.50 0.00 0.00 46.19 44.84 3mug s LEU 178 CO 0.08 -0.47 1.09 -1.10 -1.32 0.00 0.00 176.35 174.64 3mug s GLN 179 N 0.32 0.40 0.59 1.98 -0.21 -0.89 -4.88 119.66 116.98 3mug s GLN 179 Ca 0.14 1.12 0.29 0.00 0.02 0.00 0.00 55.36 56.94 3mug s GLN 179 Cb -0.20 -1.69 1.55 0.00 1.00 0.00 0.00 33.01 33.68 3mug s GLN 179 CO -0.04 -2.92 1.97 0.77 -2.12 0.00 0.00 175.29 172.95 3mug h SER 180 N -2.06 0.00 -0.42 5.90 0.02 -1.98 -1.58 113.55 113.43 3mug h SER 180 Ca -0.51 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.39 3mug h SER 180 Cb 1.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 3mug h SER 180 CO 0.48 0.00 0.11 0.77 -1.14 0.00 0.00 176.83 177.04 3mug h SER 182 N 0.00 0.70 0.00 3.07 4.64 -2.02 -3.47 113.55 116.47 3mug h SER 182 Ca 0.15 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3mug h SER 182 Cb 0.90 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3mug h SER 182 CO -0.00 0.70 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 3mug n GLY 183 N -0.89 0.87 3.71 -0.77 0.00 -0.59 -4.71 105.19 102.80 3mug n GLY 183 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3mug n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mug s LEU 184 N 0.00 3.50 0.30 0.99 1.43 -1.26 -4.56 118.68 119.08 3mug s LEU 184 Ca 0.00 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3mug s LEU 184 Cb 0.00 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 3mug s LEU 184 CO 0.00 0.13 0.56 -0.31 0.23 0.00 0.00 176.35 176.96 3mug s TYR 185 N -1.52 3.48 -0.01 0.29 1.51 0.12 -2.10 117.35 119.11 3mug s TYR 185 Ca 0.27 0.64 -0.07 0.00 -1.01 0.00 0.00 57.07 56.91 3mug s TYR 185 Cb -0.11 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 3mug s TYR 185 CO 0.20 0.15 0.14 -1.12 -1.11 0.00 0.00 175.55 173.80 3mug s SER 186 N -3.24 -0.02 0.12 2.29 0.01 -0.89 -1.07 113.70 110.91 3mug s SER 186 Ca 0.44 -0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.50 3mug s SER 186 Cb -0.11 0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.37 3mug s SER 186 CO 0.31 -0.28 0.31 -0.22 0.41 0.00 0.00 173.24 173.76 3mug s LEU 187 N -0.99 0.87 0.05 2.44 0.20 -0.43 -0.84 118.68 119.97 3mug s LEU 187 Ca -0.11 -0.55 0.04 0.00 0.69 0.00 0.00 54.13 54.21 3mug s LEU 187 Cb -0.06 1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 47.12 3mug s LEU 187 CO 0.01 -0.83 -0.12 -0.44 -0.29 0.00 0.00 176.35 174.69 3mug s SER 188 N -2.86 1.35 -0.06 3.68 0.01 -1.26 -0.41 113.70 114.15 3mug s SER 188 Ca 0.06 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3mug s SER 188 Cb 0.03 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.24 3mug s SER 188 CO -0.09 -0.07 -0.06 -0.55 0.41 0.00 0.00 173.24 172.88 3mug s SER 189 N -1.37 1.41 0.15 2.44 0.15 -0.88 -0.94 113.70 114.66 3mug s SER 189 Ca -0.03 -0.18 0.11 0.00 0.70 0.00 0.00 55.95 56.55 3mug s SER 189 Cb -0.09 -0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 3mug s SER 189 CO 0.01 -0.07 -0.25 0.68 1.20 0.00 0.00 173.24 174.81 3mug s VAL 190 N 1.17 2.34 -0.02 4.45 -7.23 0.54 -1.12 120.40 120.54 3mug s VAL 190 Ca -0.07 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 3mug s VAL 190 Cb -0.14 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.74 3mug s VAL 190 CO -0.01 0.01 0.00 0.54 -0.31 0.00 0.00 175.10 175.33 3mug s VAL 191 N -1.30 0.07 -0.25 1.32 0.11 0.40 -0.83 120.40 119.92 3mug s VAL 191 Ca 0.17 0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 59.16 3mug s VAL 191 Cb -0.09 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 3mug s VAL 191 CO 0.08 0.08 0.28 0.42 -3.33 0.00 0.00 175.10 172.63 3mug s THR 192 N 0.64 5.26 0.25 5.04 -4.23 -1.18 -1.73 115.64 119.70 3mug s THR 192 Ca -0.06 0.39 0.07 0.00 -1.18 0.00 0.00 61.69 60.92 3mug s THR 192 Cb -0.08 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 3mug s THR 192 CO -0.01 0.25 -0.10 0.68 -0.54 0.00 0.00 174.62 174.89 3mug s VAL 193 N 1.60 1.73 0.24 2.29 -7.23 -0.01 -4.71 120.40 114.31 3mug s VAL 193 Ca 0.12 -2.17 -0.30 0.00 -1.81 0.00 0.00 61.98 57.82 3mug s VAL 193 Cb -0.15 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.40 3mug s VAL 193 CO 0.08 -0.41 1.20 -2.16 -0.31 0.00 0.00 175.10 173.51 3mug s PRO 194 N -3.68 4.50 0.57 4.82 0.04 -1.26 -0.45 135.00 139.52 3mug s PRO 194 Ca 0.27 1.94 0.26 0.00 0.04 0.00 0.00 61.00 63.51 3mug s PRO 194 Cb 0.02 -3.19 1.62 0.00 0.04 0.00 0.00 34.50 32.98 3mug s PRO 194 CO 0.10 -0.04 2.18 0.77 0.04 0.00 0.00 177.00 180.05 3mug h SER 195 N 4.54 0.00 -0.61 6.66 0.02 -1.57 -2.12 113.55 120.47 3mug h SER 195 Ca -0.46 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 3mug h SER 195 Cb 1.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3mug h SER 195 CO 0.71 0.00 0.21 0.28 -1.14 0.00 0.00 176.83 176.90 3mug h SER 196 N 0.00 0.90 0.64 3.07 0.02 -1.91 -3.09 113.55 113.18 3mug h SER 196 Ca 0.03 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 3mug h SER 196 Cb 0.15 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3mug h SER 196 CO -0.00 0.83 -0.35 0.77 -1.14 0.00 0.00 176.83 176.94 3mug h SER 197 N 0.94 0.00 -2.27 3.07 4.64 -1.77 -3.42 113.55 114.74 3mug h SER 197 Ca 0.21 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.98 3mug h SER 197 Cb 0.25 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3mug h SER 197 CO -0.01 0.35 1.31 -0.76 -0.87 0.00 0.00 176.83 176.85 3mug s LEU 198 N -7.40 4.11 0.00 5.97 1.02 -1.17 0.53 118.68 121.74 3mug s LEU 198 Ca -0.01 2.39 0.00 0.00 0.02 0.00 0.00 54.13 56.52 3mug s LEU 198 Cb 0.12 -3.52 0.00 0.00 0.02 0.00 0.00 46.19 42.81 3mug s LEU 198 CO 0.68 -1.34 0.00 0.61 0.02 0.00 0.00 176.35 176.32 3mug n GLY 199 N 4.92 1.84 0.66 -3.19 0.00 -1.26 -4.86 105.19 103.29 3mug n GLY 199 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 3mug n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mug n THR 200 N -0.15 1.16 -2.66 2.61 -2.24 0.23 -5.05 114.28 108.19 3mug n THR 200 Ca 0.00 0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.57 3mug n THR 200 Cb 0.00 -1.84 -0.05 0.00 -2.10 0.00 0.00 70.33 66.34 3mug n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mug s GLN 203 N -2.33 4.78 -0.11 -0.78 -0.44 0.19 -5.06 119.66 115.91 3mug s GLN 203 Ca -0.13 1.59 -0.14 0.00 -2.50 0.00 0.00 55.36 54.19 3mug s GLN 203 Cb 0.03 -3.25 -0.05 0.00 -1.64 0.00 0.00 33.01 28.10 3mug s GLN 203 CO 0.18 0.41 0.32 0.95 0.50 0.00 0.00 175.29 177.65 3mug s THR 205 N -1.13 5.25 -0.15 -0.34 -4.23 -1.26 -4.72 115.64 109.07 3mug s THR 205 Ca 0.42 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 3mug s THR 205 Cb -0.28 -3.64 -0.00 0.00 1.34 0.00 0.00 72.50 69.92 3mug s THR 205 CO 0.35 0.46 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.42 3mug s TYR 206 N -0.07 2.77 -0.06 3.99 2.02 -1.26 -4.99 117.35 119.75 3mug s TYR 206 Ca 0.19 -0.98 0.02 0.00 -0.37 0.00 0.00 57.07 55.92 3mug s TYR 206 Cb -0.14 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3mug s TYR 206 CO 0.07 -0.43 -0.09 0.42 -1.57 0.00 0.00 175.55 173.94 3mug s ILE 207 N 0.73 0.94 -0.08 2.71 1.01 -1.26 -1.62 121.20 123.62 3mug s ILE 207 Ca -0.07 -0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 3mug s ILE 207 Cb -0.16 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 3mug s ILE 207 CO 0.01 0.32 0.33 0.00 0.00 0.00 0.00 174.94 175.60 3mug s ASN 209 N -0.46 5.43 -0.11 0.00 -0.87 0.78 -1.58 114.94 118.13 3mug s ASN 209 Ca 0.20 -1.77 -0.14 0.00 -1.57 0.00 0.00 52.86 49.58 3mug s ASN 209 Cb -0.15 -1.90 -0.05 0.00 -0.02 0.00 0.00 41.25 39.13 3mug s ASN 209 CO 0.08 -0.54 0.34 -0.69 -2.57 0.00 0.00 177.10 173.72 3mug s VAL 210 N 1.28 5.23 -0.13 1.60 1.01 0.44 -1.02 120.40 128.82 3mug s VAL 210 Ca 0.05 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.70 3mug s VAL 210 Cb -0.23 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3mug s VAL 210 CO -0.01 0.45 -0.17 0.20 0.00 0.00 0.00 175.10 175.57 3mug s ASN 211 N -0.04 2.74 -0.56 3.32 0.01 0.16 -0.91 114.94 119.66 3mug s ASN 211 Ca 0.20 -0.51 0.04 0.00 -0.71 0.00 0.00 52.86 51.88 3mug s ASN 211 Cb -0.14 -1.24 0.17 0.00 0.41 0.00 0.00 41.25 40.45 3mug s ASN 211 CO 0.07 0.01 0.41 -2.28 -1.51 0.00 0.00 177.10 173.80 3mug s HIS 212 N 1.11 2.39 0.30 2.20 5.65 0.26 -1.02 115.29 126.18 3mug s HIS 212 Ca -0.02 -2.83 0.02 0.00 0.25 0.00 0.00 55.06 52.47 3mug s HIS 212 Cb -0.14 -1.88 0.57 0.00 -1.18 0.00 0.00 32.58 29.94 3mug s HIS 212 CO -0.05 -0.69 1.88 1.57 -0.65 0.00 0.00 174.74 176.80 3mug h LYS 213 N 5.62 0.95 -0.00 2.88 -0.00 -1.78 -0.71 116.57 123.53 3mug h LYS 213 Ca 0.18 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.78 3mug h LYS 213 Cb 0.83 -0.22 -0.00 0.00 -0.00 0.00 0.00 32.23 32.85 3mug h LYS 213 CO 0.55 0.63 0.00 -1.35 -0.00 0.00 0.00 179.45 179.28 3mug h PRO 214 N 0.98 0.00 -0.02 0.07 0.11 -1.93 -2.32 132.00 128.89 3mug h PRO 214 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3mug h PRO 214 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3mug h PRO 214 CO -0.20 0.00 -0.04 -1.13 -0.21 0.00 0.00 178.00 176.43 3mug n SER 215 N -4.15 1.97 -2.91 -2.05 3.41 -1.06 -4.97 113.62 103.87 3mug n SER 215 Ca -0.03 -1.49 -0.22 0.00 -0.26 0.00 0.00 58.87 56.87 3mug n SER 215 Cb 0.09 0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 3mug n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mug n ASN 216 N 0.59 -5.92 -4.66 4.04 3.02 -0.36 -4.94 115.26 107.03 3mug n ASN 216 Ca 0.07 -0.23 -0.35 0.00 -0.03 0.00 0.00 54.58 54.05 3mug n ASN 216 Cb 0.31 -4.82 -0.09 0.00 -0.61 0.00 0.00 39.78 34.57 3mug n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mug s THR 217 N -3.13 4.77 -0.08 3.41 2.01 -0.69 -4.99 115.64 116.94 3mug s THR 217 Ca 0.24 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.21 3mug s THR 217 Cb -0.11 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.29 3mug s THR 217 CO 0.30 0.50 -0.12 -0.54 -0.69 0.00 0.00 174.62 174.06 3mug s LYS 218 N 0.08 1.80 -0.11 4.92 1.02 -1.26 -0.57 119.74 125.61 3mug s LYS 218 Ca 0.05 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.63 3mug s LYS 218 Cb -0.12 -1.54 0.01 0.00 -0.52 0.00 0.00 37.83 35.66 3mug s LYS 218 CO 0.01 -0.03 -0.16 0.08 -0.92 0.00 0.00 175.35 174.34 3mug s VAL 219 N 0.86 1.53 -0.32 3.17 1.01 -0.09 -4.99 120.40 121.57 3mug s VAL 219 Ca -0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3mug s VAL 219 Cb -0.15 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.89 3mug s VAL 219 CO 0.01 0.45 0.03 -1.81 0.00 0.00 0.00 175.10 173.78 3mug s ASP 220 N 0.99 4.93 -0.13 3.32 1.01 -1.26 -0.42 116.67 125.11 3mug s ASP 220 Ca -0.06 -1.42 0.01 0.00 0.71 0.00 0.00 52.55 51.79 3mug s ASP 220 Cb -0.15 -1.72 -0.01 0.00 1.01 0.00 0.00 42.92 42.05 3mug s ASP 220 CO -0.02 -0.30 -0.16 -0.75 0.21 0.00 0.00 175.17 174.15 3mug s LYS 221 N 1.22 3.25 -0.46 8.23 2.47 -0.61 -4.95 119.74 128.90 3mug s LYS 221 Ca -0.03 -0.75 -0.21 0.00 -1.56 0.00 0.00 55.97 53.42 3mug s LYS 221 Cb -0.20 -2.55 0.03 0.00 -1.46 0.00 0.00 37.83 33.64 3mug s LYS 221 CO -0.02 0.14 0.70 0.50 0.16 0.00 0.00 175.35 176.84 3mug s ARG 222 N 0.51 3.30 -0.51 4.03 3.52 -1.26 -0.63 118.95 127.90 3mug s ARG 222 Ca -0.11 -0.34 -0.27 0.00 -0.13 0.00 0.00 55.73 54.89 3mug s ARG 222 Cb -0.16 -3.97 0.03 0.00 -1.56 0.00 0.00 34.95 29.29 3mug s ARG 222 CO 0.05 -1.10 1.04 0.08 -0.81 0.00 0.00 175.30 174.56 3mug s VAL 225 N 3.02 4.29 0.16 7.11 1.01 -0.64 -4.98 120.40 130.37 3mug s VAL 225 Ca 0.25 0.81 0.11 0.00 0.00 0.00 0.00 61.98 63.15 3mug s VAL 225 Cb -0.14 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 3mug s VAL 225 CO 0.19 -1.05 -0.24 -0.70 0.00 0.00 0.00 175.10 173.31 3mug s GLU 226 N 4.24 1.53 0.48 2.72 2.56 -1.26 -4.34 118.70 124.62 3mug s GLU 226 Ca 0.40 -1.41 -0.23 0.00 0.00 0.00 0.00 54.97 53.72 3mug s GLU 226 Cb -0.09 -1.91 -0.07 0.00 2.00 0.00 0.00 34.13 34.06 3mug s GLU 226 CO 0.26 0.43 1.28 -2.14 -0.56 0.00 0.00 175.26 174.53 3mug s PRO 227 N -2.40 3.55 0.65 4.30 0.02 -1.26 -4.56 135.00 135.31 3mug s PRO 227 Ca 0.18 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.26 3mug s PRO 227 Cb -0.09 -2.43 0.09 0.00 0.02 0.00 0.00 34.50 32.10 3mug s PRO 227 CO 0.09 -0.80 0.91 0.15 -0.33 0.00 0.00 177.00 177.01 3mug s LYS 228 N -2.68 2.01 0.00 5.54 -0.14 -1.25 -5.01 119.74 118.21 3mug s LYS 228 Ca 0.65 -1.05 0.21 0.00 -1.36 0.00 0.00 55.97 54.42 3mug s LYS 228 Cb -0.36 -2.41 0.16 0.00 -1.68 0.00 0.00 37.83 33.55 3mug s LYS 228 CO 0.43 -1.16 1.16 0.45 -0.76 0.00 0.00 175.35 175.47