#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 1.35 -0.07 3.44 -0.21 0.20 -4.97 119.66 119.40 3mug s GLN 3 Ca 0.00 -1.48 -0.02 0.00 0.02 0.00 0.00 55.36 53.88 3mug s GLN 3 Cb 0.00 -1.41 0.03 0.00 1.00 0.00 0.00 33.01 32.63 3mug s GLN 3 CO 0.00 0.28 0.03 -0.51 -2.12 0.00 0.00 175.29 172.97 3mug s LEU 4 N -2.83 0.40 -0.26 2.90 1.43 -1.26 -1.63 118.68 117.42 3mug s LEU 4 Ca 0.19 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3mug s LEU 4 Cb -0.05 -0.30 0.05 0.00 0.03 0.00 0.00 46.19 45.92 3mug s LEU 4 CO 0.08 -0.23 -0.09 0.68 0.23 0.00 0.00 176.35 177.01 3mug s VAL 5 N 2.06 2.38 0.31 -1.59 -7.23 -0.24 -4.14 120.40 111.95 3mug s VAL 5 Ca 0.05 -1.50 -0.20 0.00 -1.81 0.00 0.00 61.98 58.51 3mug s VAL 5 Cb -0.13 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 3mug s VAL 5 CO -0.05 0.00 0.82 -1.61 -0.31 0.00 0.00 175.10 173.96 3mug s GLU 6 N 1.16 4.26 0.23 4.82 8.01 -1.26 -1.46 118.70 134.46 3mug s GLU 6 Ca -0.07 0.97 -0.11 0.00 0.01 0.00 0.00 54.97 55.77 3mug s GLU 6 Cb -0.19 -2.61 -0.01 0.00 -4.31 0.00 0.00 34.13 27.00 3mug s GLU 6 CO -0.05 0.23 0.42 -1.54 0.01 0.00 0.00 175.26 174.33 3mug s SER 7 N -1.90 -0.05 0.00 -0.19 1.04 -0.55 -4.77 113.70 107.28 3mug s SER 7 Ca 0.51 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3mug s SER 7 Cb -0.14 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3mug s SER 7 CO 0.19 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.94 3mug n GLY 8 N -0.35 3.08 3.71 7.32 0.00 -1.26 -1.71 105.19 115.97 3mug n GLY 8 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.73 1.67 0.00 -0.02 0.00 -1.26 -4.86 107.32 100.12 3mug s GLY 9 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.11 3mug s GLY 9 CO 0.00 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.51 3mug n GLY 10 N -0.42 -0.61 3.64 0.20 0.00 -0.06 -4.90 105.19 103.04 3mug n GLY 10 Ca 0.10 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.95 5.00 0.05 1.61 1.01 -1.26 -0.54 120.40 123.32 3mug s VAL 11 Ca 0.00 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.16 3mug s VAL 11 Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3mug s VAL 11 CO 0.00 0.06 -0.17 0.68 0.00 0.00 0.00 175.10 175.67 3mug s VAL 12 N 2.30 1.35 0.17 2.92 -7.23 0.73 -4.96 120.40 115.67 3mug s VAL 12 Ca 0.26 -1.15 -0.25 0.00 -1.81 0.00 0.00 61.98 59.03 3mug s VAL 12 Cb -0.16 -1.21 -0.08 0.00 0.56 0.00 0.00 36.38 35.50 3mug s VAL 12 CO 0.09 0.04 0.78 -1.10 -0.31 0.00 0.00 175.10 174.59 3mug s GLN 13 N -1.29 4.57 0.58 4.82 -0.21 -1.25 -0.99 119.66 125.88 3mug s GLN 13 Ca 0.04 1.16 -0.20 0.00 0.02 0.00 0.00 55.36 56.37 3mug s GLN 13 Cb -0.09 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 3mug s GLN 13 CO 0.02 0.57 1.31 -1.25 -2.12 0.00 0.00 175.29 173.81 3mug s PRO 14 N -1.13 2.98 0.00 2.91 0.04 -1.26 -2.81 135.00 135.73 3mug s PRO 14 Ca 0.36 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.50 3mug s PRO 14 Cb -0.23 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3mug s PRO 14 CO 0.26 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.44 3mug n GLY 15 N 0.73 0.93 3.97 0.56 0.00 0.22 -4.86 105.19 106.74 3mug n GLY 15 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.74 1.78 0.11 -0.02 0.00 -1.12 -4.14 107.32 102.18 3mug s GLY 16 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 3mug s GLY 16 CO 0.00 -1.08 0.28 -0.56 0.00 0.00 0.00 173.10 171.74 3mug s SER 17 N -4.36 6.40 -0.21 1.64 0.01 -1.26 -0.36 113.70 115.55 3mug s SER 17 Ca 0.55 0.36 -0.13 0.00 1.31 0.00 0.00 55.95 58.04 3mug s SER 17 Cb -0.10 -1.99 0.06 0.00 0.21 0.00 0.00 66.02 64.20 3mug s SER 17 CO 0.37 0.10 0.52 -0.22 0.41 0.00 0.00 173.24 174.43 3mug s LEU 18 N -2.71 -0.37 -0.20 2.44 2.96 -0.63 -4.97 118.68 115.20 3mug s LEU 18 Ca 0.37 1.13 -0.03 0.00 -0.22 0.00 0.00 54.13 55.37 3mug s LEU 18 Cb -0.12 1.76 -0.01 0.00 0.50 0.00 0.00 46.19 48.32 3mug s LEU 18 CO 0.27 -0.21 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.43 3mug s ARG 19 N 1.32 3.38 0.03 1.98 3.52 -1.26 0.26 118.95 128.17 3mug s ARG 19 Ca -0.08 -0.64 -0.03 0.00 -0.13 0.00 0.00 55.73 54.85 3mug s ARG 19 Cb -0.07 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 3mug s ARG 19 CO -0.13 -0.11 0.23 -0.51 -0.81 0.00 0.00 175.30 173.97 3mug s LEU 20 N 1.23 4.36 0.20 -0.88 1.43 0.55 -4.64 118.68 120.92 3mug s LEU 20 Ca 0.03 0.40 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 3mug s LEU 20 Cb -0.14 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 3mug s LEU 20 CO -0.02 0.22 -0.15 -0.44 0.23 0.00 0.00 176.35 176.18 3mug s SER 21 N -2.07 2.58 -0.21 2.29 0.01 -0.70 -1.86 113.70 113.74 3mug s SER 21 Ca 0.31 -0.99 -0.04 0.00 1.31 0.00 0.00 55.95 56.54 3mug s SER 21 Cb -0.13 -0.14 0.10 0.00 0.21 0.00 0.00 66.02 66.07 3mug s SER 21 CO 0.21 -0.15 0.33 0.00 0.41 0.00 0.00 173.24 174.04 3mug s LEU 23 N 2.49 4.14 -0.04 0.00 2.96 -0.54 -0.54 118.68 127.15 3mug s LEU 23 Ca 0.07 0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 54.41 3mug s LEU 23 Cb -0.14 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 3mug s LEU 23 CO -0.13 -0.10 0.23 0.00 -1.32 0.00 0.00 176.35 175.03 3mug s ALA 24 N 1.44 3.86 -0.05 5.97 0.00 0.15 -1.08 121.76 132.05 3mug s ALA 24 Ca 0.19 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 3mug s ALA 24 Cb -0.15 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 20.95 3mug s ALA 24 CO 0.08 0.63 0.26 -1.54 0.00 0.00 0.00 175.76 175.19 3mug s SER 25 N -1.43 -0.18 0.00 0.00 1.04 -0.65 -4.88 113.70 107.60 3mug s SER 25 Ca 0.23 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.87 3mug s SER 25 Cb -0.13 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3mug s SER 25 CO 0.12 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.66 3mug n GLY 26 N 1.98 0.60 3.47 7.32 0.00 -1.26 0.60 105.19 117.90 3mug n GLY 26 Ca -0.18 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.01 1.61 -0.71 -1.26 -3.92 117.98 110.23 3mug s PHE 27 Ca 0.00 0.26 -0.20 0.00 -1.04 0.00 0.00 56.93 55.94 3mug s PHE 27 Cb 0.00 0.56 0.09 0.00 -1.21 0.00 0.00 43.02 42.46 3mug s PHE 27 CO 0.00 -0.76 1.34 0.95 -1.34 0.00 0.00 175.22 175.41 3mug s THR 28 N -3.53 4.34 0.28 -4.49 -4.23 -1.26 -4.90 115.64 101.84 3mug s THR 28 Ca 0.03 -1.30 -0.07 0.00 -1.18 0.00 0.00 61.69 59.17 3mug s THR 28 Cb -0.01 -4.95 0.44 0.00 1.34 0.00 0.00 72.50 69.33 3mug s THR 28 CO -0.11 -1.75 1.56 0.15 -0.54 0.00 0.00 174.62 173.94 3mug h PHE 29 N 9.08 -0.46 0.00 3.99 3.57 -1.95 -2.47 116.94 128.70 3mug h PHE 29 Ca 0.21 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3mug h PHE 29 Cb 1.00 0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.09 3mug h PHE 29 CO 1.23 -0.42 0.00 -2.39 -2.23 0.00 0.00 178.31 174.50 3mug n HIS 30 N -5.60 0.00 -0.04 0.41 1.44 -1.26 -2.59 115.22 107.57 3mug n HIS 30 Ca 0.16 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.95 3mug n HIS 30 Cb 0.52 -0.38 0.17 0.00 0.12 0.00 0.00 29.99 30.42 3mug n HIS 30 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3mug n LYS 31 N -1.38 2.42 -4.84 -1.40 4.76 -0.93 -4.45 118.16 112.34 3mug n LYS 31 Ca 0.02 -2.03 -0.27 0.00 -2.87 0.00 0.00 58.31 53.17 3mug n LYS 31 Cb 0.06 -1.33 -0.15 0.00 -1.84 0.00 0.00 35.03 31.76 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 -1.05 1.87 0.54 2.13 2.02 -1.07 -4.90 117.35 116.89 3mug s TYR 32 Ca 0.27 -0.37 -0.18 0.00 -0.37 0.00 0.00 57.07 56.42 3mug s TYR 32 Cb 0.15 -1.16 -0.06 0.00 -0.40 0.00 0.00 41.96 40.49 3mug s TYR 32 CO 0.20 0.03 1.07 0.20 -1.57 0.00 0.00 175.55 175.48 3mug s GLY 33 N -0.85 2.41 0.01 0.71 0.00 -1.26 -4.01 107.32 104.33 3mug s GLY 33 Ca 0.08 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.43 3mug s GLY 33 CO 0.01 0.93 -0.11 1.06 0.00 0.00 0.00 173.10 174.98 3mug s MET 34 N -3.53 0.79 0.33 2.90 1.00 -0.60 -0.72 119.30 119.48 3mug s MET 34 Ca 0.68 -0.52 0.10 0.00 0.00 0.00 0.00 55.69 55.95 3mug s MET 34 Cb -0.18 -0.75 -0.06 0.00 0.00 0.00 0.00 34.83 33.83 3mug s MET 34 CO 0.28 0.20 -0.08 -1.01 0.00 0.00 0.00 175.02 174.40 3mug s HIS 35 N -0.55 2.43 -0.11 -0.03 3.76 0.96 -1.26 115.29 120.50 3mug s HIS 35 Ca 0.01 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 3mug s HIS 35 Cb -0.06 -1.36 0.01 0.00 1.11 0.00 0.00 32.58 32.29 3mug s HIS 35 CO 0.00 0.58 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.72 3mug s TRP 36 N -2.57 2.09 -0.12 1.40 0.52 -0.43 -1.89 118.94 117.94 3mug s TRP 36 Ca 0.33 -0.95 -0.00 0.00 0.02 0.00 0.00 56.10 55.50 3mug s TRP 36 Cb 0.01 -1.47 0.02 0.00 -1.15 0.00 0.00 33.47 30.88 3mug s TRP 36 CO 0.17 -0.46 -0.09 0.08 0.02 0.00 0.00 176.95 176.67 3mug s VAL 37 N 0.82 1.13 0.23 4.03 1.01 0.34 -1.08 120.40 126.88 3mug s VAL 37 Ca -0.10 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3mug s VAL 37 Cb -0.16 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3mug s VAL 37 CO 0.01 0.39 0.37 0.00 0.00 0.00 0.00 175.10 175.86 3mug s ARG 38 N 1.66 3.45 -0.25 2.72 1.70 0.64 0.20 118.95 129.07 3mug s ARG 38 Ca 0.05 -0.63 -0.04 0.00 -0.47 0.00 0.00 55.73 54.63 3mug s ARG 38 Cb -0.13 -2.87 0.09 0.00 -0.57 0.00 0.00 34.95 31.47 3mug s ARG 38 CO -0.09 0.41 0.12 -1.14 -1.08 0.00 0.00 175.30 173.52 3mug s GLN 39 N -3.80 0.15 0.49 3.89 0.74 0.10 -0.20 119.66 121.03 3mug s GLN 39 Ca 0.35 -0.38 -0.22 0.00 0.05 0.00 0.00 55.36 55.16 3mug s GLN 39 Cb -0.10 -1.39 -0.07 0.00 1.10 0.00 0.00 33.01 32.56 3mug s GLN 39 CO 0.30 -0.90 1.19 0.00 -0.55 0.00 0.00 175.29 175.33 3mug s ALA 40 N 2.11 2.90 0.09 1.58 0.00 -1.26 -0.53 121.76 126.65 3mug s ALA 40 Ca 0.07 0.99 -0.34 0.00 0.00 0.00 0.00 51.96 52.67 3mug s ALA 40 Cb -0.16 -3.41 -0.14 0.00 0.00 0.00 0.00 23.12 19.41 3mug s ALA 40 CO -0.27 -0.80 1.63 -2.30 0.00 0.00 0.00 175.76 174.02 3mug n PRO 41 N -0.70 2.06 -1.05 0.00 -0.02 -1.26 -0.78 135.00 133.25 3mug n PRO 41 Ca 0.08 0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 62.29 3mug n PRO 41 Cb 0.48 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 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 3.59 0.36 3.89 -1.23 0.00 -1.26 -4.99 105.19 105.55 3mug n GLY 42 Ca 0.19 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.44 2.30 0.90 1.61 -0.14 0.04 -5.14 119.74 117.86 3mug s LYS 43 Ca 0.00 -1.91 -0.13 0.00 -1.36 0.00 0.00 55.97 52.57 3mug s LYS 43 Cb 0.00 -2.15 0.17 0.00 -1.68 0.00 0.00 37.83 34.17 3mug s LYS 43 CO 0.00 -0.51 1.24 0.20 -0.76 0.00 0.00 175.35 175.52 3mug s GLY 44 N -4.24 1.76 0.23 -3.33 0.00 -1.26 -4.68 107.32 95.80 3mug s GLY 44 Ca 0.38 -1.24 -0.30 0.00 0.00 0.00 0.00 44.72 43.57 3mug s GLY 44 CO 0.23 -0.54 1.16 1.08 0.00 0.00 0.00 173.10 175.03 3mug s LEU 45 N -5.71 4.49 -0.10 0.66 1.43 -1.26 -4.26 118.68 113.93 3mug s LEU 45 Ca 0.71 2.27 -0.01 0.00 -1.03 0.00 0.00 54.13 56.06 3mug s LEU 45 Cb -0.05 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.59 3mug s LEU 45 CO 0.51 -0.28 -0.01 -0.70 0.23 0.00 0.00 176.35 176.10 3mug s GLU 46 N -0.80 0.77 0.17 1.70 2.12 0.72 -4.99 118.70 118.38 3mug s GLU 46 Ca 0.49 -0.03 -0.31 0.00 0.36 0.00 0.00 54.97 55.48 3mug s GLU 46 Cb -0.33 -1.24 -0.10 0.00 0.26 0.00 0.00 34.13 32.73 3mug s GLU 46 CO 0.39 -0.35 1.50 -0.46 -0.54 0.00 0.00 175.26 175.81 3mug s TRP 47 N 1.91 3.10 -0.13 5.30 -0.00 -1.26 -0.26 118.94 127.60 3mug s TRP 47 Ca 0.04 0.78 -0.14 0.00 -0.00 0.00 0.00 56.10 56.77 3mug s TRP 47 Cb -0.13 -3.85 -0.05 0.00 -0.00 0.00 0.00 33.47 29.45 3mug s TRP 47 CO -0.06 -3.03 -0.28 0.28 -0.00 0.00 0.00 176.95 173.86 3mug n VAL 48 N 3.69 1.33 -3.46 5.86 0.31 -0.24 -4.69 118.33 121.14 3mug n VAL 48 Ca 0.12 0.20 -0.14 0.00 -0.01 0.00 0.00 64.34 64.51 3mug n VAL 48 Cb 0.40 -2.18 -0.03 0.00 -0.91 0.00 0.00 33.84 31.12 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 -2.80 -1.66 -0.02 3.52 0.00 -1.11 -1.18 121.76 118.50 3mug s ALA 49 Ca -0.23 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.55 3mug s ALA 49 Cb 0.03 0.58 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 3mug s ALA 49 CO 0.34 -0.63 -0.13 -1.17 0.00 0.00 0.00 175.76 174.17 3mug s LEU 50 N -2.21 1.92 -0.05 0.00 2.96 -0.43 -1.31 118.68 119.56 3mug s LEU 50 Ca -0.03 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3mug s LEU 50 Cb -0.01 -0.70 -0.00 0.00 0.50 0.00 0.00 46.19 45.98 3mug s LEU 50 CO -0.05 0.13 -0.19 -0.51 -1.32 0.00 0.00 176.35 174.40 3mug s ILE 51 N -0.07 1.60 0.88 6.68 2.07 -0.39 -0.59 121.20 131.39 3mug s ILE 51 Ca 0.01 -0.81 -0.11 0.00 -1.41 0.00 0.00 60.65 58.33 3mug s ILE 51 Cb -0.08 -1.37 0.12 0.00 0.13 0.00 0.00 42.46 41.26 3mug s ILE 51 CO 0.00 0.46 1.11 -0.94 -1.91 0.00 0.00 174.94 173.66 3mug s SER 52 N 0.02 3.41 0.28 4.50 1.04 -0.13 -1.55 113.70 121.27 3mug s SER 52 Ca -0.05 1.94 0.03 0.00 0.48 0.00 0.00 55.95 58.35 3mug s SER 52 Cb -0.12 -2.49 0.69 0.00 0.10 0.00 0.00 66.02 64.19 3mug s SER 52 CO 0.03 -2.75 1.70 -2.24 0.98 0.00 0.00 173.24 170.95 3mug h ASP 52 N -1.63 0.29 1.00 7.02 2.03 -1.86 -1.50 116.42 121.78 3mug h ASP 52 Ca -0.45 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 3mug h ASP 52 Cb 1.26 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.90 3mug h ASP 52 CO 0.47 0.00 -0.26 -0.90 -1.03 0.00 0.00 179.24 177.52 3mug n ASP 53 N -5.05 0.50 0.00 4.15 5.68 -1.26 -4.69 116.55 115.88 3mug n ASP 53 Ca 0.21 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.78 3mug n ASP 53 Cb 0.62 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 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 1.41 0.52 0.06 6.12 0.00 -0.56 -4.96 105.19 107.78 3mug n GLY 54 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 3mug n GLY 54 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3mug h MET 55 N 1.13 0.00 -6.02 1.61 2.86 -1.93 -3.46 114.93 109.11 3mug h MET 55 Ca 0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 3mug h MET 55 Cb 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 3mug h MET 55 CO 0.00 0.30 0.54 1.03 1.06 0.00 0.00 176.91 179.84 3mug s ARG 56 N -1.88 4.30 -0.03 1.72 0.52 -1.26 -4.96 118.95 117.36 3mug s ARG 56 Ca -0.09 1.17 0.06 0.00 -0.52 0.00 0.00 55.73 56.35 3mug s ARG 56 Cb 0.00 -3.59 -0.01 0.00 0.52 0.00 0.00 34.95 31.87 3mug s ARG 56 CO 0.24 -0.42 -0.20 0.15 0.02 0.00 0.00 175.30 175.09 3mug s LYS 57 N 2.45 1.75 -0.04 3.54 1.02 -1.26 -0.95 119.74 126.26 3mug s LYS 57 Ca 0.41 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.73 3mug s LYS 57 Cb -0.16 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 3mug s LYS 57 CO 0.11 0.38 -0.13 0.71 -0.92 0.00 0.00 175.35 175.50 3mug s TYR 58 N -0.31 1.38 0.06 3.18 1.51 0.24 -5.00 117.35 118.42 3mug s TYR 58 Ca 0.04 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 3mug s TYR 58 Cb -0.09 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 3mug s TYR 58 CO 0.00 -0.15 -0.16 -1.01 -1.11 0.00 0.00 175.55 173.13 3mug s HIS 59 N 0.15 1.39 0.88 2.71 3.76 -1.26 -1.31 115.29 121.61 3mug s HIS 59 Ca -0.04 -0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 54.35 3mug s HIS 59 Cb -0.11 -0.80 0.12 0.00 1.11 0.00 0.00 32.58 32.90 3mug s HIS 59 CO 0.02 0.08 1.10 -1.54 -0.85 0.00 0.00 174.74 173.55 3mug s SER 60 N -1.51 3.50 0.31 1.40 1.04 -0.32 -4.76 113.70 113.36 3mug s SER 60 Ca 0.02 1.82 0.06 0.00 0.48 0.00 0.00 55.95 58.33 3mug s SER 60 Cb -0.09 -2.43 0.50 0.00 0.10 0.00 0.00 66.02 64.10 3mug s SER 60 CO 0.02 -2.67 1.75 0.44 0.98 0.00 0.00 173.24 173.76 3mug h ASP 61 N -1.57 0.30 0.79 7.02 3.32 -1.94 -0.19 116.42 124.15 3mug h ASP 61 Ca -0.46 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.43 3mug h ASP 61 Cb 1.26 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3mug h ASP 61 CO 0.49 0.61 -0.23 0.77 -1.72 0.00 0.00 179.24 179.17 3mug h SER 62 N 0.26 0.00 0.00 6.45 4.64 -1.96 -3.28 113.55 119.66 3mug h SER 62 Ca 0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3mug h SER 62 Cb 0.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3mug h SER 62 CO 0.05 0.23 -1.66 0.23 -0.87 0.00 0.00 176.83 174.81 3mug n MET 63 N -3.47 0.62 -1.63 4.77 2.81 -1.07 -4.95 117.12 114.20 3mug n MET 63 Ca -0.00 -0.11 -0.49 0.00 -1.81 0.00 0.00 57.70 55.28 3mug n MET 63 Cb 0.40 -1.33 -0.05 0.00 -0.71 0.00 0.00 33.22 31.53 3mug n MET 63 CO 0.00 0.00 0.00 1.87 1.51 0.00 0.00 175.97 179.35 3mug n TRP 64 N -2.04 1.91 0.00 2.03 -0.00 -0.11 -1.45 117.44 117.78 3mug n TRP 64 Ca -0.05 0.44 0.00 0.00 -0.00 0.00 0.00 57.50 57.89 3mug n TRP 64 Cb 0.43 -2.45 0.00 0.00 -0.00 0.00 0.00 31.31 29.30 3mug n TRP 64 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3mug n GLY 65 N 3.08 2.34 0.12 5.87 0.00 -1.26 -4.80 105.19 110.54 3mug n GLY 65 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 0.53 -4.40 1.61 1.74 -0.53 -5.03 116.66 108.58 3mug n ARG 66 Ca 0.00 0.13 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 3mug n ARG 66 Cb 0.00 -1.42 -0.12 0.00 -1.02 0.00 0.00 32.46 29.90 3mug n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mug s VAL 67 N -2.43 2.43 -0.06 1.55 0.11 -0.95 -4.57 120.40 116.48 3mug s VAL 67 Ca -0.29 -1.94 0.02 0.00 -2.93 0.00 0.00 61.98 56.84 3mug s VAL 67 Cb 0.08 -2.15 0.02 0.00 -1.53 0.00 0.00 36.38 32.79 3mug s VAL 67 CO 0.49 -0.07 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.20 3mug s THR 68 N -1.56 0.95 -0.08 5.04 2.01 -0.25 -4.85 115.64 116.91 3mug s THR 68 Ca 0.20 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 3mug s THR 68 Cb -0.08 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 3mug s THR 68 CO 0.10 0.32 0.23 -0.51 -0.69 0.00 0.00 174.62 174.07 3mug s ILE 69 N 0.85 5.34 0.21 1.82 2.07 -1.26 -0.41 121.20 129.82 3mug s ILE 69 Ca -0.11 0.43 -0.14 0.00 -1.41 0.00 0.00 60.65 59.41 3mug s ILE 69 Cb -0.15 -3.51 0.01 0.00 0.13 0.00 0.00 42.46 38.94 3mug s ILE 69 CO 0.01 0.60 0.47 -0.94 -1.91 0.00 0.00 174.94 173.17 3mug s SER 70 N -1.00 -0.15 -0.00 4.50 1.04 -1.05 -5.01 113.70 112.04 3mug s SER 70 Ca 0.18 -0.70 -0.13 0.00 0.48 0.00 0.00 55.95 55.78 3mug s SER 70 Cb -0.14 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.56 3mug s SER 70 CO 0.07 -1.06 0.28 0.00 0.98 0.00 0.00 173.24 173.51 3mug s ARG 71 N -3.94 0.67 -0.49 4.02 1.70 -1.26 -0.23 118.95 119.42 3mug s ARG 71 Ca 0.15 -0.29 0.02 0.00 -0.47 0.00 0.00 55.73 55.14 3mug s ARG 71 Cb -0.00 0.29 0.13 0.00 -0.57 0.00 0.00 34.95 34.80 3mug s ARG 71 CO 0.02 -0.19 0.24 0.34 -1.08 0.00 0.00 175.30 174.63 3mug s ASP 72 N -1.48 4.69 0.24 -2.89 3.68 0.59 -4.97 116.67 116.54 3mug s ASP 72 Ca -0.12 -2.69 0.21 0.00 2.13 0.00 0.00 52.55 52.08 3mug s ASP 72 Cb -0.05 -1.70 0.96 0.00 -1.45 0.00 0.00 42.92 40.69 3mug s ASP 72 CO 0.02 -0.32 1.64 0.59 0.13 0.00 0.00 175.17 177.23 3mug n ASN 73 N 3.59 0.55 0.05 -0.34 3.02 -1.26 -1.02 115.26 119.86 3mug n ASN 73 Ca 0.05 0.67 0.01 0.00 -0.03 0.00 0.00 54.58 55.28 3mug n ASN 73 Cb 0.36 -0.78 -0.06 0.00 -0.61 0.00 0.00 39.78 38.70 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 -0.21 6.41 4.64 -1.95 -3.36 113.55 119.08 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 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3mug h SER 74 CO 0.00 0.56 0.00 0.29 -0.87 0.00 0.00 176.83 176.81 3mug n LYS 75 N -2.96 1.90 -3.36 4.77 5.02 -0.84 -5.01 118.16 117.68 3mug n LYS 75 Ca -0.07 -1.69 -0.24 0.00 -2.02 0.00 0.00 58.31 54.29 3mug n LYS 75 Cb 0.82 -1.25 0.02 0.00 -0.02 0.00 0.00 35.03 34.59 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 0.58 -4.84 -4.28 4.39 4.13 -0.19 -4.87 115.26 110.18 3mug n ASN 76 Ca 0.10 -0.43 -0.30 0.00 1.68 0.00 0.00 54.58 55.63 3mug n ASN 76 Cb 0.37 -3.93 -0.16 0.00 -1.54 0.00 0.00 39.78 34.52 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 1.91 -0.09 3.41 2.01 -0.97 -0.68 115.64 118.14 3mug s THR 77 Ca 0.43 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.39 3mug s THR 77 Cb -0.21 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 3mug s THR 77 CO 0.53 0.53 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.68 3mug s LEU 78 N -0.58 3.02 0.26 4.42 2.96 0.30 -0.30 118.68 128.77 3mug s LEU 78 Ca 0.09 -0.12 0.11 0.00 -0.22 0.00 0.00 54.13 53.99 3mug s LEU 78 Cb -0.09 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 3mug s LEU 78 CO -0.01 0.29 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.82 3mug s TYR 79 N -0.40 2.16 -0.10 5.38 2.02 0.68 -0.62 117.35 126.47 3mug s TYR 79 Ca 0.05 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.34 3mug s TYR 79 Cb -0.12 -0.95 0.05 0.00 -0.40 0.00 0.00 41.96 40.53 3mug s TYR 79 CO 0.02 0.63 0.09 -1.17 -1.57 0.00 0.00 175.55 173.55 3mug s LEU 80 N -3.42 0.16 -0.18 -1.29 2.96 -0.78 -2.53 118.68 113.61 3mug s LEU 80 Ca 0.28 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3mug s LEU 80 Cb -0.04 -0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 3mug s LEU 80 CO 0.13 -0.29 0.01 -1.58 -1.32 0.00 0.00 176.35 173.31 3mug s GLN 81 N 2.19 3.79 0.45 1.98 2.00 0.45 -0.33 119.66 130.19 3mug s GLN 81 Ca 0.04 -0.44 0.05 0.00 -2.00 0.00 0.00 55.36 53.00 3mug s GLN 81 Cb -0.14 -3.08 0.05 0.00 0.80 0.00 0.00 33.01 30.64 3mug s GLN 81 CO -0.06 0.21 0.38 1.19 -0.50 0.00 0.00 175.29 176.51 3mug n PHE 82 N 3.69 -1.03 0.00 1.67 3.72 0.14 -1.09 117.46 124.56 3mug n PHE 82 Ca -0.17 -1.84 0.00 0.00 -0.05 0.00 0.00 57.45 55.39 3mug n PHE 82 Cb 0.52 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.96 0.00 -4.76 4.37 2.88 -1.12 -1.60 113.62 111.43 3mug n SER 82 Ca 0.01 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.19 3mug n SER 82 Cb 0.50 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.99 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 3.66 0.08 2.46 1.43 0.51 -4.63 118.68 122.19 3mug s LEU 82 Ca 0.00 2.32 0.08 0.00 -1.03 0.00 0.00 54.13 55.50 3mug s LEU 82 Cb 0.00 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.60 3mug s LEU 82 CO 0.00 -1.53 -0.22 -1.59 0.23 0.00 0.00 176.35 173.24 3mug s LYS 83 N -3.38 1.33 0.58 1.70 0.00 -1.26 0.71 119.74 119.42 3mug s LYS 83 Ca 0.76 -1.09 0.29 0.00 0.00 0.00 0.00 55.97 55.92 3mug s LYS 83 Cb -0.28 -1.56 1.48 0.00 0.00 0.00 0.00 37.83 37.47 3mug s LYS 83 CO 0.32 0.38 1.91 -0.39 0.00 0.00 0.00 175.35 177.57 3mug h VAL 84 N 4.18 0.39 0.00 1.79 -1.51 -1.93 0.19 116.25 119.36 3mug h VAL 84 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3mug h VAL 84 Cb 1.17 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3mug h VAL 84 CO 0.42 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.14 3mug n GLU 85 N -3.78 0.00 0.00 5.19 4.71 -1.26 -3.40 120.64 122.10 3mug n GLU 85 Ca 0.09 0.04 0.13 0.00 -0.01 0.00 0.00 57.16 57.42 3mug n GLU 85 Cb 0.68 -1.50 0.67 0.00 -1.01 0.00 0.00 31.44 30.28 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 -1.50 0.00 -4.66 1.62 8.00 0.67 -4.86 116.55 115.83 3mug n ASP 86 Ca 0.06 0.01 -0.46 0.00 0.71 0.00 0.00 54.79 55.11 3mug n ASP 86 Cb 0.31 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.33 0.61 -3.65 -3.53 -1.04 -1.22 -4.91 114.28 99.22 3mug n THR 87 Ca 0.12 -0.15 0.01 0.00 -2.04 0.00 0.00 64.05 61.99 3mug n THR 87 Cb 0.24 -2.06 -0.01 0.00 -1.82 0.00 0.00 70.33 66.68 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 4.67 -2.13 -0.12 2.41 0.00 -0.70 -4.46 121.76 121.44 3mug s ALA 88 Ca 0.93 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 53.29 3mug s ALA 88 Cb -0.59 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3mug s ALA 88 CO 0.47 -1.05 0.48 -1.64 0.00 0.00 0.00 175.76 174.02 3mug s MET 89 N -2.58 4.34 -0.28 0.00 -1.94 0.31 -0.61 119.30 118.53 3mug s MET 89 Ca 0.14 0.45 -0.08 0.00 -1.71 0.00 0.00 55.69 54.49 3mug s MET 89 Cb 0.04 -3.44 -0.01 0.00 2.01 0.00 0.00 34.83 33.43 3mug s MET 89 CO -0.03 0.16 0.10 -0.06 -0.01 0.00 0.00 175.02 175.18 3mug s PHE 90 N 0.62 3.13 -0.08 -0.03 0.08 0.74 0.00 117.98 122.45 3mug s PHE 90 Ca 0.26 -0.58 -0.04 0.00 0.12 0.00 0.00 56.93 56.69 3mug s PHE 90 Cb -0.15 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 3mug s PHE 90 CO 0.10 -0.43 0.09 -0.06 -0.10 0.00 0.00 175.22 174.82 3mug s PHE 91 N 1.59 3.41 -0.23 0.36 0.08 0.13 -1.51 117.98 121.81 3mug s PHE 91 Ca 0.05 0.36 -0.09 0.00 0.12 0.00 0.00 56.93 57.37 3mug s PHE 91 Cb -0.16 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 3mug s PHE 91 CO 0.04 0.62 0.11 0.00 -0.10 0.00 0.00 175.22 175.89 3mug s ALA 93 N 1.03 0.55 0.11 0.00 0.00 -0.79 -1.31 121.76 121.35 3mug s ALA 93 Ca 0.06 -0.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 3mug s ALA 93 Cb -0.14 -0.26 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 3mug s ALA 93 CO 0.04 0.05 0.81 0.50 0.00 0.00 0.00 175.76 177.16 3mug s ARG 94 N 0.41 4.58 -0.19 0.00 3.52 0.15 -0.03 118.95 127.39 3mug s ARG 94 Ca -0.05 1.18 -0.27 0.00 -0.13 0.00 0.00 55.73 56.47 3mug s ARG 94 Cb -0.09 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.98 3mug s ARG 94 CO -0.00 0.40 0.93 -2.00 -0.81 0.00 0.00 175.30 173.81 3mug s GLU 95 N -0.53 4.29 0.28 5.12 2.56 0.10 -2.46 118.70 128.06 3mug s GLU 95 Ca 0.39 1.17 -0.30 0.00 0.00 0.00 0.00 54.97 56.23 3mug s GLU 95 Cb -0.22 -3.60 -0.11 0.00 2.00 0.00 0.00 34.13 32.19 3mug s GLU 95 CO 0.26 -0.46 1.58 0.00 -0.56 0.00 0.00 175.26 176.09 3mug s ALA 96 N 2.58 3.74 0.20 6.30 0.00 0.22 -4.18 121.76 130.62 3mug s ALA 96 Ca 0.41 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.93 3mug s ALA 96 Cb -0.16 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 3mug s ALA 96 CO 0.10 -0.96 0.04 0.20 0.00 0.00 0.00 175.76 175.15 3mug s GLY 97 N 0.52 1.39 0.00 0.00 0.00 -1.26 -0.50 107.32 107.47 3mug s GLY 97 Ca 0.63 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.67 3mug s GLY 97 CO 0.47 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.64 3mug n GLY 98 N -0.31 -0.31 3.95 0.20 0.00 -0.93 -4.91 105.19 102.88 3mug n GLY 98 Ca -0.04 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.00 2.79 -0.67 1.61 0.04 -1.26 -0.64 135.00 134.87 3mug s PRO 99 Ca 0.00 -0.46 -0.01 0.00 0.04 0.00 0.00 61.00 60.57 3mug s PRO 99 Cb 0.00 -2.44 0.17 0.00 0.04 0.00 0.00 34.50 32.26 3mug s PRO 99 CO 0.00 -0.58 0.48 0.42 0.04 0.00 0.00 177.00 177.36 3mug s ILE 100 N -2.77 3.60 0.31 0.56 -1.09 -1.14 -4.84 121.20 115.83 3mug s ILE 100 Ca 0.53 -3.30 -0.28 0.00 -2.23 0.00 0.00 60.65 55.37 3mug s ILE 100 Cb -0.10 -3.34 -0.13 0.00 -1.58 0.00 0.00 42.46 37.31 3mug s ILE 100 CO 0.40 -0.92 1.16 0.79 -1.23 0.00 0.00 174.94 175.14 3mug n TRP 100 N 3.08 1.77 -2.73 3.97 7.02 -1.26 -3.95 117.44 125.35 3mug n TRP 100 Ca 0.11 0.62 -0.01 0.00 -1.02 0.00 0.00 57.50 57.20 3mug n TRP 100 Cb 0.36 -2.33 0.08 0.00 -2.42 0.00 0.00 31.31 27.00 3mug n TRP 100 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 3mug n HIS 100 N 0.37 -0.39 0.00 -5.99 -0.00 -1.26 -4.93 115.22 103.01 3mug n HIS 100 Ca 0.07 -1.85 0.00 0.00 0.46 0.00 0.00 57.72 56.41 3mug n HIS 100 Cb 0.34 0.65 0.00 0.00 -0.12 0.00 0.00 29.99 30.85 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 -1.01 0.00 -4.01 0.26 4.64 -1.26 -4.87 116.55 110.30 3mug n ASP 100 Ca -0.06 0.00 -0.30 0.00 -1.38 0.00 0.00 54.79 53.05 3mug n ASP 100 Cb 0.84 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.76 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 1.55 0.09 5.18 1.01 -1.26 -5.11 120.40 121.86 3mug s VAL 100 Ca 0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 3mug s VAL 100 Cb 0.00 -1.46 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 3mug s VAL 100 CO 0.00 0.45 1.29 -0.54 0.00 0.00 0.00 175.10 176.30 3mug s LYS 100 N 1.50 4.38 0.39 2.72 1.02 -1.26 -4.19 119.74 124.29 3mug s LYS 100 Ca 0.05 1.92 0.08 0.00 0.02 0.00 0.00 55.97 58.03 3mug s LYS 100 Cb -0.13 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 3mug s LYS 100 CO -0.11 -0.34 0.23 0.71 -0.92 0.00 0.00 175.35 174.93 3mug s TYR 100 N 1.04 2.68 0.48 3.18 1.51 -1.25 -4.94 117.35 120.04 3mug s TYR 100 Ca 0.61 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 56.22 3mug s TYR 100 Cb -0.33 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 3mug s TYR 100 CO 0.30 0.15 0.02 0.34 -1.11 0.00 0.00 175.55 175.25 3mug s ASP 100 N -3.95 3.90 0.69 2.29 2.15 0.86 -2.86 116.67 119.75 3mug s ASP 100 Ca 0.42 -1.59 -0.17 0.00 0.43 0.00 0.00 52.55 51.64 3mug s ASP 100 Cb -0.01 0.32 0.01 0.00 -0.30 0.00 0.00 42.92 42.95 3mug s ASP 100 CO 0.24 -0.77 1.21 0.49 -0.17 0.00 0.00 175.17 176.17 3mug n PHE 100 N -1.15 1.55 -2.97 -5.34 3.72 -1.26 -2.57 117.46 109.44 3mug n PHE 100 Ca -0.15 0.41 -0.20 0.00 -0.05 0.00 0.00 57.45 57.46 3mug n PHE 100 Cb 0.67 -2.20 0.03 0.00 -0.94 0.00 0.00 39.48 37.04 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 -2.14 -5.74 -4.00 4.37 3.02 -1.26 -2.82 115.26 106.69 3mug n ASN 100 Ca 0.15 -0.27 -0.32 0.00 -0.03 0.00 0.00 54.58 54.10 3mug n ASN 100 Cb 0.49 -4.55 -0.00 0.00 -0.61 0.00 0.00 39.78 35.10 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 -2.13 -4.07 -0.13 6.41 8.00 -1.17 -5.19 116.55 118.27 3mug n ASP 100 Ca -0.10 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.56 3mug n ASP 100 Cb 0.61 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 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 -1.50 1.39 2.87 0.44 0.00 -1.06 -4.87 105.19 102.47 3mug n GLY 100 Ca 0.06 -1.56 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 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 2.39 0.41 0.31 1.61 2.02 0.18 -0.10 117.35 124.18 3mug s TYR 100 Ca 0.00 -0.06 -0.29 0.00 -0.37 0.00 0.00 57.07 56.35 3mug s TYR 100 Cb 0.00 -0.40 -0.11 0.00 -0.40 0.00 0.00 41.96 41.06 3mug s TYR 100 CO 0.00 -0.10 1.48 -0.80 -1.57 0.00 0.00 175.55 174.56 3mug s ASN 100 N 0.61 6.50 0.00 2.29 0.01 -1.26 -2.18 114.94 120.91 3mug s ASN 100 Ca -0.07 2.87 0.24 0.00 -0.71 0.00 0.00 52.86 55.20 3mug s ASN 100 Cb -0.10 -2.64 0.35 0.00 0.41 0.00 0.00 41.25 39.26 3mug s ASN 100 CO -0.01 -0.79 1.32 -1.22 -1.51 0.00 0.00 177.10 174.89 3mug n TYR 100 N 1.46 0.00 -3.32 2.20 4.01 0.34 -4.95 117.16 116.91 3mug n TYR 100 Ca 0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.62 3mug n TYR 100 Cb 0.39 -0.04 0.08 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.01 -2.09 -3.52 -0.72 8.25 -1.26 -5.00 115.22 110.89 3mug n HIS 100 Ca 0.12 0.86 -0.15 0.00 -0.26 0.00 0.00 57.72 58.28 3mug n HIS 100 Cb 0.44 -4.74 -0.05 0.00 1.12 0.00 0.00 29.99 26.76 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 -3.32 -0.57 -0.49 4.41 -0.85 -1.26 -5.06 117.35 110.21 3mug s TYR 100 Ca 0.11 0.89 -0.15 0.00 -0.52 0.00 0.00 57.07 57.40 3mug s TYR 100 Cb -0.05 0.44 0.10 0.00 0.38 0.00 0.00 41.96 42.83 3mug s TYR 100 CO 0.65 -0.59 0.42 -1.64 -1.52 0.00 0.00 175.55 172.87 3mug s MET 100 N -1.59 2.91 0.06 -3.49 -1.94 -1.26 -0.61 119.30 113.39 3mug s MET 100 Ca -0.07 -1.51 -0.10 0.00 -1.71 0.00 0.00 55.69 52.29 3mug s MET 100 Cb -0.00 -4.14 -0.29 0.00 2.01 0.00 0.00 34.83 32.40 3mug s MET 100 CO 0.05 -1.14 1.10 0.38 -0.01 0.00 0.00 175.02 175.40 3mug h ASP 101 N 8.75 0.68 -3.57 3.03 2.03 -1.83 -3.46 116.42 122.05 3mug h ASP 101 Ca -0.28 -0.69 -0.68 0.00 -0.73 0.00 0.00 57.03 54.66 3mug h ASP 101 Cb 1.10 -0.22 -0.29 0.00 -0.83 0.00 0.00 39.33 39.09 3mug h ASP 101 CO 0.92 1.52 -0.83 -0.69 -1.03 0.00 0.00 179.24 179.14 3mug s VAL 102 N -2.76 2.52 0.06 4.15 1.01 -1.26 -5.00 120.40 119.12 3mug s VAL 102 Ca -0.07 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.10 3mug s VAL 102 Cb 0.06 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3mug s VAL 102 CO 0.92 0.55 -0.16 0.26 0.00 0.00 0.00 175.10 176.67 3mug s TRP 103 N 0.10 1.35 0.59 5.22 0.52 -1.26 -0.67 118.94 124.79 3mug s TRP 103 Ca -0.09 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 55.63 3mug s TRP 103 Cb -0.15 -0.77 0.05 0.00 -1.15 0.00 0.00 33.47 31.44 3mug s TRP 103 CO 0.06 0.08 0.82 0.20 0.02 0.00 0.00 176.95 178.13 3mug s GLY 104 N -1.52 1.81 0.19 0.98 0.00 -0.43 -4.56 107.32 103.80 3mug s GLY 104 Ca 0.01 -1.39 0.25 0.00 0.00 0.00 0.00 44.72 43.59 3mug s GLY 104 CO 0.02 -1.05 1.76 0.28 0.00 0.00 0.00 173.10 174.11 3mug n LYS 105 N -2.46 0.20 0.00 2.90 5.02 -1.26 -4.75 118.16 117.82 3mug n LYS 105 Ca 0.09 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3mug n LYS 105 Cb 0.60 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.87 -0.39 3.08 0.72 0.00 -1.26 -5.02 105.19 103.18 3mug n GLY 106 Ca 0.05 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.03 1.46 -0.13 2.61 -1.32 -0.57 -4.80 115.64 109.85 3mug s THR 107 Ca 0.00 -0.65 -0.16 0.00 -1.21 0.00 0.00 61.69 59.66 3mug s THR 107 Cb 0.00 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 3mug s THR 107 CO 0.00 0.43 0.40 0.28 -2.21 0.00 0.00 174.62 173.52 3mug s THR 108 N 0.69 5.23 -0.25 5.08 -1.32 -1.26 -0.18 115.64 123.63 3mug s THR 108 Ca -0.13 0.80 -0.05 0.00 -1.21 0.00 0.00 61.69 61.10 3mug s THR 108 Cb -0.16 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.09 3mug s THR 108 CO 0.03 0.36 0.00 -0.69 -2.21 0.00 0.00 174.62 172.12 3mug s VAL 109 N 0.48 3.57 -0.31 5.08 1.01 0.22 -0.88 120.40 129.57 3mug s VAL 109 Ca 0.22 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 3mug s VAL 109 Cb -0.14 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.54 3mug s VAL 109 CO 0.08 0.27 0.06 -0.89 0.00 0.00 0.00 175.10 174.63 3mug s THR 110 N 1.48 3.58 -0.33 3.92 2.01 0.30 -1.72 115.64 124.88 3mug s THR 110 Ca 0.04 -1.07 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 3mug s THR 110 Cb -0.16 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 3mug s THR 110 CO -0.01 -0.07 0.26 -0.69 -0.69 0.00 0.00 174.62 173.42 3mug s VAL 111 N 1.39 5.27 -0.24 3.82 1.01 -1.26 -0.19 120.40 130.20 3mug s VAL 111 Ca -0.01 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 3mug s VAL 111 Cb -0.19 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.55 3mug s VAL 111 CO 0.01 0.01 0.63 -0.55 0.00 0.00 0.00 175.10 175.20 3mug s SER 112 N 1.73 -0.70 0.12 3.32 0.15 -0.16 -4.66 113.70 113.50 3mug s SER 112 Ca 0.07 1.29 0.25 0.00 0.70 0.00 0.00 55.95 58.26 3mug s SER 112 Cb -0.17 1.27 0.56 0.00 -1.71 0.00 0.00 66.02 65.97 3mug s SER 112 CO 0.11 -0.22 1.50 -1.54 1.20 0.00 0.00 173.24 174.29 3mug n SER 113 N 3.08 0.66 -4.75 5.45 3.41 -1.26 -3.96 113.62 116.25 3mug n SER 113 Ca -0.15 0.24 -0.34 0.00 -0.26 0.00 0.00 58.87 58.36 3mug n SER 113 Cb 0.56 -0.15 0.06 0.00 -0.26 0.00 0.00 64.21 64.42 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 -3.12 2.37 0.48 7.33 0.00 -1.26 -5.04 121.76 122.52 3mug s ALA 114 Ca 0.09 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.77 3mug s ALA 114 Cb 0.14 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3mug s ALA 114 CO 0.67 -1.44 0.01 -1.54 0.00 0.00 0.00 175.76 173.47 3mug s SER 115 N -2.30 3.98 -0.20 0.00 1.04 -1.26 -5.07 113.70 109.90 3mug s SER 115 Ca 0.70 -1.60 -0.37 0.00 0.48 0.00 0.00 55.95 55.17 3mug s SER 115 Cb -0.24 0.34 -0.13 0.00 0.10 0.00 0.00 66.02 66.09 3mug s SER 115 CO 0.41 -0.78 1.86 0.41 0.98 0.00 0.00 173.24 176.13 3mug n THR 116 N -1.18 0.43 -3.68 2.02 -1.04 -1.26 -4.67 114.28 104.90 3mug n THR 116 Ca -0.16 -0.10 -0.16 0.00 -2.04 0.00 0.00 64.05 61.59 3mug n THR 116 Cb 0.67 -1.59 -0.16 0.00 -1.82 0.00 0.00 70.33 67.43 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 4.12 0.04 0.68 -2.82 2.47 -0.25 -4.98 119.74 119.01 3mug s LYS 117 Ca 0.97 0.52 -0.15 0.00 -1.56 0.00 0.00 55.97 55.76 3mug s LYS 117 Cb -0.86 -0.27 0.01 0.00 -1.46 0.00 0.00 37.83 35.25 3mug s LYS 117 CO 0.57 -0.29 1.13 0.20 0.16 0.00 0.00 175.35 177.13 3mug s GLY 118 N 2.11 2.19 0.70 5.54 0.00 -1.26 -0.54 107.32 116.04 3mug s GLY 118 Ca 0.01 0.63 -0.11 0.00 0.00 0.00 0.00 44.72 45.24 3mug s GLY 118 CO -0.06 0.99 1.09 2.56 0.00 0.00 0.00 173.10 177.68 3mug s PRO 119 N -4.07 2.94 -0.18 2.90 0.04 -1.26 -4.51 135.00 130.87 3mug s PRO 119 Ca 0.69 0.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.19 3mug s PRO 119 Cb -0.23 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3mug s PRO 119 CO 0.43 -0.99 0.04 -1.12 0.04 0.00 0.00 177.00 175.40 3mug s SER 120 N -4.30 5.43 -0.19 6.66 0.01 0.70 -4.94 113.70 117.07 3mug s SER 120 Ca 0.58 0.02 -0.03 0.00 1.31 0.00 0.00 55.95 57.83 3mug s SER 120 Cb -0.11 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.18 3mug s SER 120 CO 0.52 0.16 -0.06 -0.69 0.41 0.00 0.00 173.24 173.59 3mug s VAL 121 N 0.43 3.43 0.02 3.43 1.01 -1.26 0.15 120.40 127.62 3mug s VAL 121 Ca 0.02 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.58 3mug s VAL 121 Cb -0.13 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3mug s VAL 121 CO 0.01 0.45 -0.23 -0.36 0.00 0.00 0.00 175.10 174.97 3mug s PHE 122 N 1.05 2.03 0.32 5.22 0.08 0.35 -4.97 117.98 122.07 3mug s PHE 122 Ca 0.01 -0.39 -0.26 0.00 0.12 0.00 0.00 56.93 56.41 3mug s PHE 122 Cb -0.15 -1.25 -0.10 0.00 -0.57 0.00 0.00 43.02 40.96 3mug s PHE 122 CO -0.00 0.06 0.95 -1.25 -0.10 0.00 0.00 175.22 174.88 3mug s PRO 123 N -0.98 4.58 -0.90 0.24 0.04 -1.26 -0.09 135.00 136.64 3mug s PRO 123 Ca 0.09 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 62.45 3mug s PRO 123 Cb -0.09 -2.83 0.22 0.00 0.04 0.00 0.00 34.50 31.84 3mug s PRO 123 CO 0.01 0.27 0.80 -0.51 0.04 0.00 0.00 177.00 177.61 3mug s LEU 124 N -2.00 5.79 0.32 -3.56 1.43 -0.19 -4.82 118.68 115.65 3mug s LEU 124 Ca 0.50 -3.48 -0.29 0.00 -1.03 0.00 0.00 54.13 49.83 3mug s LEU 124 Cb -0.20 -1.99 -0.12 0.00 0.03 0.00 0.00 46.19 43.91 3mug s LEU 124 CO 0.25 -0.27 1.51 0.00 0.23 0.00 0.00 176.35 178.07 3mug n ALA 125 N 2.73 2.22 -1.80 4.21 0.00 -1.26 -1.32 120.51 125.29 3mug n ALA 125 Ca 0.19 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.66 3mug n ALA 125 Cb 0.38 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 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 -1.16 3.82 0.16 0.00 0.04 -1.26 -4.93 135.00 131.68 3mug s PRO 126 Ca 0.60 1.38 -0.06 0.00 0.04 0.00 0.00 61.00 62.96 3mug s PRO 126 Cb -0.51 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 31.92 3mug s PRO 126 CO 0.55 -0.42 0.32 -1.13 0.04 0.00 0.00 177.00 176.36 3mug n SER 127 N -0.90 -0.93 -0.20 6.66 3.41 -1.26 -3.98 113.62 116.43 3mug n SER 127 Ca 0.09 -1.68 -0.05 0.00 -0.26 0.00 0.00 58.87 56.96 3mug n SER 127 Cb 0.52 1.56 0.05 0.00 -0.26 0.00 0.00 64.21 66.08 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 0.83 0.59 -0.03 4.04 4.64 -1.96 -2.43 113.55 119.23 3mug h SER 128 Ca -0.14 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3mug h SER 128 Cb 0.52 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3mug h SER 128 CO 0.18 0.42 0.21 0.11 -0.87 0.00 0.00 176.83 176.87 3mug h LYS 129 N 0.72 0.00 -0.13 4.77 6.56 -1.98 -1.47 116.57 125.04 3mug h LYS 129 Ca 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 3mug h LYS 129 Cb -0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3mug h LYS 129 CO -0.09 0.00 0.00 -1.13 -2.06 0.00 0.00 179.45 176.17 3mug n SER 130 N -3.09 2.17 -4.60 0.86 3.41 -0.94 -4.99 113.62 106.44 3mug n SER 130 Ca -0.02 -1.66 -0.36 0.00 -0.26 0.00 0.00 58.87 56.57 3mug n SER 130 Cb 0.27 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.84 5.01 -0.25 6.66 2.01 -0.55 -0.42 115.64 127.26 3mug s THR 133 Ca 0.13 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.20 3mug s THR 133 Cb 0.08 -3.33 0.07 0.00 0.01 0.00 0.00 72.50 69.33 3mug s THR 133 CO 0.11 0.36 -0.01 -0.44 -0.69 0.00 0.00 174.62 173.95 3mug s SER 134 N 1.07 3.83 1.71 3.53 0.01 0.82 -4.96 113.70 119.71 3mug s SER 134 Ca 0.06 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.04 3mug s SER 134 Cb -0.14 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 64.99 3mug s SER 134 CO 0.04 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.02 3mug n GLY 135 N 4.71 3.26 0.27 3.44 0.00 -1.26 -2.03 105.19 113.58 3mug n GLY 135 Ca -0.09 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.93 3mug n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mug n GLY 136 N 0.00 -0.54 3.64 -0.02 0.00 -1.26 -4.91 105.19 102.10 3mug n GLY 136 Ca 0.00 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 3mug n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mug s THR 137 N -2.41 3.63 -0.01 2.61 -4.23 -0.86 -0.84 115.64 113.53 3mug s THR 137 Ca 0.27 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 3mug s THR 137 Cb 0.20 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 3mug s THR 137 CO 0.48 -0.08 -0.07 0.00 -0.54 0.00 0.00 174.62 174.41 3mug s ALA 138 N -1.67 0.61 -0.11 3.99 0.00 0.27 -0.12 121.76 124.71 3mug s ALA 138 Ca 0.26 -0.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.82 3mug s ALA 138 Cb -0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3mug s ALA 138 CO 0.18 0.15 0.18 0.00 0.00 0.00 0.00 175.76 176.27 3mug s ALA 139 N -0.17 3.82 0.05 0.00 0.00 0.44 -1.08 121.76 124.81 3mug s ALA 139 Ca 0.03 -0.58 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 3mug s ALA 139 Cb -0.03 -2.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 3mug s ALA 139 CO -0.00 0.52 0.14 -0.48 0.00 0.00 0.00 175.76 175.94 3mug s LEU 140 N -0.81 1.61 0.00 0.00 0.05 -0.56 -4.21 118.68 114.76 3mug s LEU 140 Ca 0.15 -0.51 0.00 0.00 0.05 0.00 0.00 54.13 53.82 3mug s LEU 140 Cb -0.13 0.78 0.00 0.00 -2.05 0.00 0.00 46.19 44.80 3mug s LEU 140 CO 0.05 -0.56 0.00 0.61 -0.55 0.00 0.00 176.35 175.89 3mug n GLY 141 N 0.58 2.57 2.84 -3.48 0.00 -0.43 -0.56 105.19 106.70 3mug n GLY 141 Ca -0.18 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 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 1.27 4.18 -0.68 0.00 2.96 0.88 -2.04 118.68 125.25 3mug s LEU 143 Ca -0.06 0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 54.01 3mug s LEU 143 Cb -0.14 -2.59 0.18 0.00 0.50 0.00 0.00 46.19 44.14 3mug s LEU 143 CO -0.02 -0.36 0.54 -0.69 -1.32 0.00 0.00 176.35 174.50 3mug s VAL 144 N 2.31 4.46 0.11 1.68 1.01 0.34 -0.50 120.40 129.81 3mug s VAL 144 Ca 0.19 -2.62 -0.02 0.00 0.00 0.00 0.00 61.98 59.53 3mug s VAL 144 Cb -0.16 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 3mug s VAL 144 CO 0.11 -0.92 0.30 -0.54 0.00 0.00 0.00 175.10 174.05 3mug s LYS 145 N 0.22 3.52 -0.94 2.72 1.02 0.12 -1.09 119.74 125.32 3mug s LYS 145 Ca 0.16 -0.29 -0.10 0.00 0.02 0.00 0.00 55.97 55.76 3mug s LYS 145 Cb -0.18 -2.94 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 3mug s LYS 145 CO -0.05 0.53 0.66 -0.25 -0.92 0.00 0.00 175.35 175.32 3mug n ASP 146 N 0.10 -5.21 -4.51 2.83 8.00 -0.85 -0.21 116.55 116.69 3mug n ASP 146 Ca -0.04 -0.91 -0.25 0.00 0.71 0.00 0.00 54.79 54.30 3mug n ASP 146 Cb 0.52 -2.44 -0.10 0.00 -0.02 0.00 0.00 41.12 39.08 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 -3.16 2.37 -0.26 1.24 -0.85 -0.66 -4.42 117.35 111.60 3mug s TYR 147 Ca 0.17 -0.39 -0.20 0.00 -0.52 0.00 0.00 57.07 56.13 3mug s TYR 147 Cb -0.08 -1.16 0.07 0.00 0.38 0.00 0.00 41.96 41.17 3mug s TYR 147 CO 0.89 0.66 0.67 0.12 -1.52 0.00 0.00 175.55 176.36 3mug s PHE 148 N -2.53 -0.86 0.83 -3.49 5.36 0.29 -0.72 117.98 116.86 3mug s PHE 148 Ca 0.31 1.91 -0.06 0.00 -0.96 0.00 0.00 56.93 58.14 3mug s PHE 148 Cb -0.02 0.40 0.18 0.00 -0.34 0.00 0.00 43.02 43.23 3mug s PHE 148 CO 0.16 -0.42 1.14 -0.35 -1.46 0.00 0.00 175.22 174.29 3mug n PRO 149 N 3.39 -0.53 -0.19 10.12 -0.04 -1.26 -1.09 135.00 145.41 3mug n PRO 149 Ca -0.17 -2.57 -0.04 0.00 -0.04 0.00 0.00 63.50 60.68 3mug n PRO 149 Cb 0.57 -0.92 -0.03 0.00 -0.04 0.00 0.00 33.50 33.07 3mug n PRO 149 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3mug n GLU 150 N -3.22 -0.19 -1.90 0.54 0.00 -1.26 -4.71 120.64 109.90 3mug n GLU 150 Ca 0.17 0.71 -0.40 0.00 0.00 0.00 0.00 57.16 57.64 3mug n GLU 150 Cb 0.60 -1.04 -0.03 0.00 0.00 0.00 0.00 31.44 30.97 3mug n GLU 150 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3mug s PRO 151 N -5.27 2.78 -0.09 5.31 0.04 -1.26 -4.96 135.00 131.56 3mug s PRO 151 Ca -0.06 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.14 3mug s PRO 151 Cb 0.06 -4.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.22 3mug s PRO 151 CO 0.30 -2.52 -0.18 0.08 0.04 0.00 0.00 177.00 174.72 3mug s VAL 152 N 8.95 2.69 -0.07 -0.36 1.01 -1.26 -4.19 120.40 127.16 3mug s VAL 152 Ca 0.79 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3mug s VAL 152 Cb -0.18 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3mug s VAL 152 CO 0.27 0.56 -0.17 -0.89 0.00 0.00 0.00 175.10 174.87 3mug s THR 153 N -0.09 2.77 -0.06 3.92 2.01 0.31 -4.98 115.64 119.52 3mug s THR 153 Ca -0.04 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.18 3mug s THR 153 Cb -0.14 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.29 3mug s THR 153 CO 0.04 0.57 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.72 3mug s VAL 154 N -0.27 1.15 0.28 3.82 1.01 -1.26 -0.05 120.40 125.09 3mug s VAL 154 Ca 0.01 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3mug s VAL 154 Cb -0.13 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 3mug s VAL 154 CO 0.03 0.36 -0.06 -0.94 0.00 0.00 0.00 175.10 174.48 3mug s SER 156 N 0.63 2.84 -0.06 3.32 1.04 -0.09 -4.96 113.70 116.41 3mug s SER 156 Ca -0.14 -1.19 0.03 0.00 0.48 0.00 0.00 55.95 55.13 3mug s SER 156 Cb -0.16 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.79 3mug s SER 156 CO 0.04 -0.33 -0.14 0.26 0.98 0.00 0.00 173.24 174.05 3mug s TRP 157 N -2.98 1.59 -1.50 5.02 0.52 -1.26 -0.28 118.94 120.05 3mug s TRP 157 Ca 0.30 -0.57 -0.13 0.00 0.02 0.00 0.00 56.10 55.72 3mug s TRP 157 Cb 0.04 -1.13 0.07 0.00 -1.15 0.00 0.00 33.47 31.30 3mug s TRP 157 CO 0.12 -0.26 1.02 0.09 0.02 0.00 0.00 176.95 177.94 3mug n ASN 162 N 3.65 -5.18 -1.54 2.95 4.13 0.06 -1.82 115.26 117.52 3mug n ASN 162 Ca -0.22 -0.72 -0.16 0.00 1.68 0.00 0.00 54.58 55.16 3mug n ASN 162 Cb 0.52 -4.12 -0.04 0.00 -1.54 0.00 0.00 39.78 34.60 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 -2.86 -4.94 0.00 6.41 7.64 -1.26 -2.54 113.62 116.07 3mug n SER 163 Ca 0.04 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.14 3mug n SER 163 Cb 0.53 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 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 -0.98 1.33 0.31 0.23 0.00 -0.76 -4.96 105.19 100.37 3mug n GLY 164 Ca -0.18 0.00 0.20 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 1.01 -3.17 4.61 0.00 -1.47 -3.39 119.26 116.85 3mug h ALA 165 Ca 0.00 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3mug h ALA 165 Cb 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.46 3mug h ALA 165 CO 0.00 0.00 -0.80 -1.17 0.00 0.00 0.00 179.25 177.28 3mug s LEU 166 N -6.20 2.65 0.00 0.00 0.20 -0.95 -4.93 118.68 109.44 3mug s LEU 166 Ca -0.02 -0.72 0.00 0.00 0.69 0.00 0.00 54.13 54.07 3mug s LEU 166 Cb 0.11 -1.58 0.00 0.00 -0.43 0.00 0.00 46.19 44.29 3mug s LEU 166 CO 0.47 -0.05 0.00 0.35 -0.29 0.00 0.00 176.35 176.83 3mug n THR 167 N 4.65 0.00 -2.58 3.68 -2.24 -1.26 -4.06 114.28 112.46 3mug n THR 167 Ca -0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 3mug n THR 167 Cb 0.49 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.31 6.97 0.00 3.42 0.01 -1.26 -3.24 113.70 118.29 3mug s SER 168 Ca 0.00 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.58 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 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.46 3mug n GLY 169 N 3.65 0.47 3.72 3.44 0.00 -1.26 -4.71 105.19 110.50 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 -2.18 4.61 -0.06 1.61 1.01 -1.20 -3.07 120.40 121.12 3mug s VAL 171 Ca 0.00 1.94 -0.03 0.00 0.00 0.00 0.00 61.98 63.90 3mug s VAL 171 Cb 0.00 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 32.18 3mug s VAL 171 CO 0.00 0.19 0.11 -2.28 0.00 0.00 0.00 175.10 173.12 3mug s HIS 172 N 0.75 -0.06 -0.27 5.22 2.46 0.23 -5.01 115.29 118.62 3mug s HIS 172 Ca 0.52 0.42 -0.07 0.00 0.47 0.00 0.00 55.06 56.40 3mug s HIS 172 Cb -0.23 -0.36 -0.01 0.00 -0.13 0.00 0.00 32.58 31.85 3mug s HIS 172 CO 0.29 -0.22 0.07 0.99 -2.47 0.00 0.00 174.74 173.40 3mug s THR 173 N 2.15 4.16 0.45 0.89 2.01 -1.26 -0.17 115.64 123.87 3mug s THR 173 Ca 0.03 -0.38 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 3mug s THR 173 Cb -0.12 -3.02 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 3mug s THR 173 CO -0.04 0.24 0.99 -0.36 -0.69 0.00 0.00 174.62 174.76 3mug s PHE 174 N 1.57 3.18 0.70 4.92 0.40 -0.16 -5.00 117.98 123.60 3mug s PHE 174 Ca 0.05 1.60 -0.16 0.00 -0.60 0.00 0.00 56.93 57.83 3mug s PHE 174 Cb -0.16 -2.96 0.02 0.00 0.51 0.00 0.00 43.02 40.44 3mug s PHE 174 CO 0.03 -0.43 1.22 -1.25 0.70 0.00 0.00 175.22 175.48 3mug s PRO 175 N -3.13 2.31 0.53 0.24 0.04 -1.26 -4.40 135.00 129.32 3mug s PRO 175 Ca 0.64 1.80 -0.19 0.00 0.04 0.00 0.00 61.00 63.28 3mug s PRO 175 Cb -0.13 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 3mug s PRO 175 CO 0.17 -1.71 1.09 0.00 0.04 0.00 0.00 177.00 176.58 3mug s ALA 176 N -1.87 2.76 -0.19 8.56 0.00 -1.26 -4.77 121.76 125.00 3mug s ALA 176 Ca 0.76 0.71 -0.06 0.00 0.00 0.00 0.00 51.96 53.36 3mug s ALA 176 Cb -0.30 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 3mug s ALA 176 CO 0.43 -0.60 0.03 0.08 0.00 0.00 0.00 175.76 175.71 3mug s VAL 177 N -1.91 4.42 -0.24 0.00 1.01 0.21 -4.95 120.40 118.95 3mug s VAL 177 Ca 0.70 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.39 3mug s VAL 177 Cb -0.20 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3mug s VAL 177 CO 0.25 0.45 0.27 -0.22 0.00 0.00 0.00 175.10 175.85 3mug s LEU 178 N 0.60 4.10 0.52 3.92 2.96 -1.26 -1.25 118.68 128.27 3mug s LEU 178 Ca 0.01 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 3mug s LEU 178 Cb -0.13 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.29 3mug s LEU 178 CO 0.02 -0.04 0.75 -1.10 -1.32 0.00 0.00 176.35 174.66 3mug s GLN 179 N 1.40 2.75 0.62 1.98 -0.21 -0.78 -4.99 119.66 120.43 3mug s GLN 179 Ca 0.12 -0.60 0.33 0.00 0.02 0.00 0.00 55.36 55.23 3mug s GLN 179 Cb -0.15 -2.49 1.88 0.00 1.00 0.00 0.00 33.01 33.25 3mug s GLN 179 CO 0.07 -0.56 2.18 0.66 -2.12 0.00 0.00 175.29 175.51 3mug h SER 180 N 0.16 0.00 -0.16 5.90 4.64 -1.97 -1.87 113.55 120.24 3mug h SER 180 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 3mug h SER 180 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3mug h SER 180 CO 0.55 0.00 -0.04 0.77 -0.87 0.00 0.00 176.83 177.24 3mug h SER 182 N 0.00 0.42 0.00 4.97 4.64 -1.99 -3.47 113.55 118.12 3mug h SER 182 Ca 0.04 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3mug h SER 182 Cb 0.30 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3mug h SER 182 CO -0.00 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 3mug n GLY 183 N -0.87 0.90 3.62 -0.77 0.00 -0.70 -4.66 105.19 102.70 3mug n GLY 183 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 3.21 0.38 0.99 1.43 -1.26 -4.62 118.68 118.81 3mug s LEU 184 Ca 0.00 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3mug s LEU 184 Cb 0.00 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3mug s LEU 184 CO 0.00 0.16 0.55 -0.31 0.23 0.00 0.00 176.35 176.98 3mug s TYR 185 N -1.34 3.19 -0.01 0.29 1.51 0.10 -1.87 117.35 119.22 3mug s TYR 185 Ca 0.24 0.00 -0.10 0.00 -1.01 0.00 0.00 57.07 56.20 3mug s TYR 185 Cb -0.11 -2.10 0.01 0.00 -0.11 0.00 0.00 41.96 39.66 3mug s TYR 185 CO 0.16 -0.12 0.21 -1.12 -1.11 0.00 0.00 175.55 173.57 3mug s SER 186 N -4.17 -0.08 0.12 2.29 0.01 -0.38 -1.66 113.70 109.82 3mug s SER 186 Ca 0.45 -0.03 -0.13 0.00 1.31 0.00 0.00 55.95 57.56 3mug s SER 186 Cb -0.10 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.42 3mug s SER 186 CO 0.34 -0.37 0.32 -0.22 0.41 0.00 0.00 173.24 173.71 3mug s LEU 187 N -1.22 0.82 0.05 2.44 0.20 -0.25 -0.62 118.68 120.10 3mug s LEU 187 Ca -0.13 -0.52 0.04 0.00 0.69 0.00 0.00 54.13 54.22 3mug s LEU 187 Cb -0.06 1.49 -0.02 0.00 -0.43 0.00 0.00 46.19 47.16 3mug s LEU 187 CO 0.02 -0.83 -0.13 -0.44 -0.29 0.00 0.00 176.35 174.69 3mug s SER 188 N -2.85 1.48 -0.07 3.68 0.01 -1.26 -0.51 113.70 114.18 3mug s SER 188 Ca 0.06 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.80 3mug s SER 188 Cb 0.03 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.23 3mug s SER 188 CO -0.10 -0.05 -0.06 -0.55 0.41 0.00 0.00 173.24 172.89 3mug s SER 189 N -1.43 1.61 0.19 2.44 0.15 -0.86 -0.98 113.70 114.82 3mug s SER 189 Ca -0.02 -0.21 0.11 0.00 0.70 0.00 0.00 55.95 56.53 3mug s SER 189 Cb -0.09 -0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 3mug s SER 189 CO 0.01 -0.08 -0.24 0.68 1.20 0.00 0.00 173.24 174.82 3mug s VAL 190 N 1.28 2.37 0.01 4.45 -7.23 0.77 -1.07 120.40 120.97 3mug s VAL 190 Ca -0.04 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3mug s VAL 190 Cb -0.14 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 3mug s VAL 190 CO -0.02 -0.11 -0.02 0.54 -0.31 0.00 0.00 175.10 175.18 3mug s VAL 191 N -1.64 0.10 -0.22 1.32 0.11 0.27 -0.60 120.40 119.74 3mug s VAL 191 Ca 0.21 -0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 58.90 3mug s VAL 191 Cb -0.08 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 3mug s VAL 191 CO 0.10 -0.12 0.05 0.42 -3.33 0.00 0.00 175.10 172.22 3mug s THR 192 N -0.42 4.36 0.22 5.04 -4.23 -1.18 -1.50 115.64 117.93 3mug s THR 192 Ca -0.04 -0.17 0.07 0.00 -1.18 0.00 0.00 61.69 60.37 3mug s THR 192 Cb -0.03 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 3mug s THR 192 CO -0.00 0.39 -0.11 0.68 -0.54 0.00 0.00 174.62 175.04 3mug s VAL 193 N 1.12 1.58 0.24 2.29 -7.23 -0.24 -4.70 120.40 113.46 3mug s VAL 193 Ca 0.04 -2.16 -0.30 0.00 -1.81 0.00 0.00 61.98 57.75 3mug s VAL 193 Cb -0.14 -2.13 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 3mug s VAL 193 CO 0.03 -0.53 1.19 -2.16 -0.31 0.00 0.00 175.10 173.32 3mug s PRO 194 N -3.69 4.51 0.55 4.82 0.04 -1.26 -0.57 135.00 139.40 3mug s PRO 194 Ca 0.24 1.92 0.24 0.00 0.04 0.00 0.00 61.00 63.44 3mug s PRO 194 Cb 0.01 -3.19 1.49 0.00 0.04 0.00 0.00 34.50 32.85 3mug s PRO 194 CO 0.07 -0.01 2.11 0.77 0.04 0.00 0.00 177.00 179.98 3mug h SER 195 N 4.45 0.00 -0.52 6.66 0.02 -1.29 -1.85 113.55 121.03 3mug h SER 195 Ca -0.46 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 3mug h SER 195 Cb 1.21 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 0.18 0.28 -1.14 0.00 0.00 176.83 176.86 3mug h SER 196 N 0.00 0.78 0.66 3.07 0.02 -1.91 -3.09 113.55 113.07 3mug h SER 196 Ca 0.09 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 3mug h SER 196 Cb 0.39 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3mug h SER 196 CO -0.00 0.73 -0.44 0.77 -1.14 0.00 0.00 176.83 176.75 3mug h SER 197 N 0.82 0.00 -2.14 3.07 4.64 -1.72 -3.42 113.55 114.80 3mug h SER 197 Ca 0.19 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.94 3mug h SER 197 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3mug h SER 197 CO -0.01 0.44 1.29 0.18 -0.87 0.00 0.00 176.83 177.86 3mug n LEU 198 N -3.73 3.72 0.00 5.97 4.32 -1.17 0.16 117.00 126.26 3mug n LEU 198 Ca -0.01 0.71 0.00 0.00 -0.02 0.00 0.00 56.01 56.69 3mug n LEU 198 Cb 0.51 -1.50 0.00 0.00 -1.62 0.00 0.00 43.42 40.81 3mug n LEU 198 CO 0.38 -0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 3mug n GLY 199 N 4.94 2.49 0.60 -0.72 0.00 -1.26 -4.86 105.19 106.37 3mug n GLY 199 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.60 1.25 -2.94 2.61 -2.24 0.20 -5.03 114.28 107.53 3mug n THR 200 Ca 0.00 0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.58 3mug n THR 200 Cb 0.00 -1.90 -0.04 0.00 -2.10 0.00 0.00 70.33 66.28 3mug n THR 200 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3mug s GLN 203 N -2.39 4.50 -0.01 -0.78 -1.52 0.12 -5.06 119.66 114.52 3mug s GLN 203 Ca -0.14 1.09 -0.21 0.00 -1.95 0.00 0.00 55.36 54.15 3mug s GLN 203 Cb 0.03 -3.42 -0.05 0.00 -0.22 0.00 0.00 33.01 29.35 3mug s GLN 203 CO 0.21 0.13 0.60 0.95 -0.25 0.00 0.00 175.29 176.93 3mug s THR 205 N 0.49 4.91 -0.14 -0.19 -4.23 -1.26 -4.68 115.64 110.54 3mug s THR 205 Ca 0.41 1.26 0.01 0.00 -1.18 0.00 0.00 61.69 62.20 3mug s THR 205 Cb -0.20 -3.94 0.00 0.00 1.34 0.00 0.00 72.50 69.70 3mug s THR 205 CO 0.23 0.41 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.23 3mug s TYR 206 N -0.15 2.73 -0.06 3.99 2.02 -1.26 -4.99 117.35 119.63 3mug s TYR 206 Ca 0.31 -1.10 0.02 0.00 -0.37 0.00 0.00 57.07 55.93 3mug s TYR 206 Cb -0.18 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 3mug s TYR 206 CO 0.17 -0.49 -0.09 0.42 -1.57 0.00 0.00 175.55 173.99 3mug s ILE 207 N 0.74 0.93 -0.10 2.71 1.01 -1.26 -0.36 121.20 124.88 3mug s ILE 207 Ca -0.07 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 3mug s ILE 207 Cb -0.16 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 3mug s ILE 207 CO 0.01 0.32 0.27 0.00 0.00 0.00 0.00 174.94 175.53 3mug s ASN 209 N -0.53 5.44 -0.10 0.00 -0.87 0.61 -1.48 114.94 118.00 3mug s ASN 209 Ca 0.18 -1.84 -0.15 0.00 -1.57 0.00 0.00 52.86 49.49 3mug s ASN 209 Cb -0.14 -1.90 -0.05 0.00 -0.02 0.00 0.00 41.25 39.14 3mug s ASN 209 CO 0.07 -0.57 0.36 -0.69 -2.57 0.00 0.00 177.10 173.70 3mug s VAL 210 N 1.27 5.21 -0.07 1.60 1.01 0.51 -0.91 120.40 129.02 3mug s VAL 210 Ca 0.06 0.70 -0.00 0.00 0.00 0.00 0.00 61.98 62.73 3mug s VAL 210 Cb -0.24 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3mug s VAL 210 CO -0.02 0.45 -0.04 0.21 0.00 0.00 0.00 175.10 175.70 3mug s ASN 211 N -0.06 1.51 -0.67 3.32 3.84 0.93 -0.80 114.94 123.00 3mug s ASN 211 Ca 0.21 -0.16 0.05 0.00 0.21 0.00 0.00 52.86 53.16 3mug s ASN 211 Cb -0.14 -0.55 0.16 0.00 -0.55 0.00 0.00 41.25 40.16 3mug s ASN 211 CO 0.08 -0.12 0.46 -2.28 -2.79 0.00 0.00 177.10 172.45 3mug s HIS 212 N 1.48 3.51 0.33 0.43 5.65 -0.05 -0.53 115.29 126.12 3mug s HIS 212 Ca -0.02 -3.32 0.11 0.00 0.25 0.00 0.00 55.06 52.08 3mug s HIS 212 Cb -0.13 -2.73 0.90 0.00 -1.18 0.00 0.00 32.58 29.44 3mug s HIS 212 CO -0.04 -0.58 1.74 1.57 -0.65 0.00 0.00 174.74 176.79 3mug h LYS 213 N 5.59 0.56 -0.08 2.88 -0.00 -1.80 -1.64 116.57 122.08 3mug h LYS 213 Ca 0.11 -0.03 0.02 0.00 -0.00 0.00 0.00 60.65 60.75 3mug h LYS 213 Cb 0.78 -0.13 -0.00 0.00 -0.00 0.00 0.00 32.23 32.88 3mug h LYS 213 CO 0.72 0.37 0.06 -1.35 -0.00 0.00 0.00 179.45 179.25 3mug h PRO 214 N 0.58 0.00 -0.01 0.07 0.11 -1.91 -2.46 132.00 128.37 3mug h PRO 214 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3mug h PRO 214 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mug h PRO 214 CO -0.43 0.00 -0.09 -1.13 -0.21 0.00 0.00 178.00 176.14 3mug n SER 215 N -4.37 1.84 -3.40 -2.05 3.41 -0.91 -5.00 113.62 103.14 3mug n SER 215 Ca -0.01 -1.42 -0.24 0.00 -0.26 0.00 0.00 58.87 56.94 3mug n SER 215 Cb 0.17 0.17 0.04 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.40 -5.76 -4.68 4.04 3.02 -0.67 -4.96 115.26 106.65 3mug n ASN 216 Ca 0.07 -0.46 -0.35 0.00 -0.03 0.00 0.00 54.58 53.80 3mug n ASN 216 Cb 0.31 -4.61 -0.09 0.00 -0.61 0.00 0.00 39.78 34.78 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 -3.22 5.16 -0.09 3.41 2.01 -1.03 -5.00 115.64 116.88 3mug s THR 217 Ca 0.47 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.60 3mug s THR 217 Cb -0.22 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 68.95 3mug s THR 217 CO 0.58 0.44 -0.17 -0.54 -0.69 0.00 0.00 174.62 174.23 3mug s LYS 218 N 0.45 2.31 -0.10 4.92 1.02 -1.26 -0.87 119.74 126.22 3mug s LYS 218 Ca 0.06 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.44 3mug s LYS 218 Cb -0.12 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.38 3mug s LYS 218 CO -0.00 0.08 -0.10 0.08 -0.92 0.00 0.00 175.35 174.48 3mug s VAL 219 N 0.58 1.14 -0.31 3.17 1.01 0.02 -5.00 120.40 121.01 3mug s VAL 219 Ca -0.15 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 3mug s VAL 219 Cb -0.17 -1.10 0.04 0.00 0.00 0.00 0.00 36.38 35.16 3mug s VAL 219 CO 0.05 0.38 0.03 -1.81 0.00 0.00 0.00 175.10 173.74 3mug s ASP 220 N 1.25 4.98 -0.14 3.32 1.01 -1.26 -0.37 116.67 125.47 3mug s ASP 220 Ca -0.03 -1.21 0.00 0.00 0.71 0.00 0.00 52.55 52.03 3mug s ASP 220 Cb -0.14 -1.75 -0.01 0.00 1.01 0.00 0.00 42.92 42.03 3mug s ASP 220 CO -0.04 -0.27 -0.15 -0.75 0.21 0.00 0.00 175.17 174.17 3mug s LYS 221 N 1.30 3.25 -0.19 8.23 2.47 -0.55 -4.95 119.74 129.30 3mug s LYS 221 Ca -0.04 -0.74 -0.24 0.00 -1.56 0.00 0.00 55.97 53.39 3mug s LYS 221 Cb -0.19 -2.61 -0.02 0.00 -1.46 0.00 0.00 37.83 33.55 3mug s LYS 221 CO -0.00 0.08 0.79 0.50 0.16 0.00 0.00 175.35 176.88 3mug s ARG 222 N 0.66 4.26 -0.38 4.03 3.52 -1.26 -0.92 118.95 128.85 3mug s ARG 222 Ca -0.08 0.92 -0.14 0.00 -0.13 0.00 0.00 55.73 56.31 3mug s ARG 222 Cb -0.16 -3.59 0.01 0.00 -1.56 0.00 0.00 34.95 29.65 3mug s ARG 222 CO 0.02 -0.34 0.27 0.08 -0.81 0.00 0.00 175.30 174.52 3mug s VAL 225 N 2.21 5.19 0.10 7.11 1.01 0.52 -4.96 120.40 131.59 3mug s VAL 225 Ca 0.36 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.88 3mug s VAL 225 Cb -0.16 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3mug s VAL 225 CO 0.11 -0.20 -0.18 -1.61 0.00 0.00 0.00 175.10 173.22 3mug s GLU 226 N 1.68 1.05 0.60 2.72 8.01 -1.26 -4.28 118.70 127.23 3mug s GLU 226 Ca 0.05 -1.14 -0.18 0.00 0.01 0.00 0.00 54.97 53.71 3mug s GLU 226 Cb -0.18 -1.19 -0.03 0.00 -4.31 0.00 0.00 34.13 28.41 3mug s GLU 226 CO 0.10 0.27 1.19 -2.14 0.01 0.00 0.00 175.26 174.68 3mug s PRO 227 N -2.03 2.95 0.74 0.39 0.02 -1.26 -4.53 135.00 131.28 3mug s PRO 227 Ca 0.05 1.76 -0.04 0.00 0.02 0.00 0.00 61.00 62.79 3mug s PRO 227 Cb -0.09 -1.93 0.12 0.00 0.02 0.00 0.00 34.50 32.61 3mug s PRO 227 CO 0.04 -1.21 1.04 -1.59 -0.33 0.00 0.00 177.00 174.95 3mug s LYS 228 N -3.43 1.67 0.00 5.54 0.00 -1.26 -5.01 119.74 117.26 3mug s LYS 228 Ca 0.76 -0.79 0.00 0.00 0.00 0.00 0.00 55.97 55.94 3mug s LYS 228 Cb -0.29 -2.23 0.00 0.00 0.00 0.00 0.00 37.83 35.32 3mug s LYS 228 CO 0.34 -1.51 0.28 0.45 0.00 0.00 0.00 175.35 174.90