#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q8a s VAL 2 N 0.00 5.00 0.02 6.31 1.01 -1.26 -3.79 120.40 127.70 2q8a s VAL 2 Ca 0.00 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.54 2q8a s VAL 2 Cb 0.00 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2q8a s VAL 2 CO 0.00 0.25 -0.08 -1.10 0.00 0.00 0.00 175.10 174.17 2q8a s GLN 3 N 0.76 0.54 -0.11 2.72 -0.21 -0.86 -4.97 119.66 117.53 2q8a s GLN 3 Ca 0.39 -0.52 -0.02 0.00 0.02 0.00 0.00 55.36 55.23 2q8a s GLN 3 Cb -0.18 -0.43 -0.03 0.00 1.00 0.00 0.00 33.01 33.37 2q8a s GLN 3 CO 0.20 0.10 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.93 2q8a s LEU 4 N -0.92 3.36 -0.18 2.90 1.02 -1.26 -0.89 118.68 122.71 2q8a s LEU 4 Ca -0.04 0.00 -0.02 0.00 0.02 0.00 0.00 54.13 54.09 2q8a s LEU 4 Cb -0.06 -1.77 0.06 0.00 0.02 0.00 0.00 46.19 44.43 2q8a s LEU 4 CO 0.00 0.30 0.03 -1.58 0.02 0.00 0.00 176.35 175.11 2q8a s GLN 5 N -0.40 0.72 0.02 1.70 0.74 0.30 -4.80 119.66 117.94 2q8a s GLN 5 Ca 0.07 -0.40 -0.08 0.00 0.05 0.00 0.00 55.36 55.00 2q8a s GLN 5 Cb -0.12 -2.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.91 2q8a s GLN 5 CO 0.02 -0.60 0.30 -0.65 -0.55 0.00 0.00 175.29 173.81 2q8a s GLN 6 N 1.84 3.63 1.04 1.67 -0.21 -1.26 -0.20 119.66 126.17 2q8a s GLN 6 Ca -0.01 -0.01 -0.12 0.00 0.02 0.00 0.00 55.36 55.25 2q8a s GLN 6 Cb -0.17 -3.07 0.20 0.00 1.00 0.00 0.00 33.01 30.97 2q8a s GLN 6 CO -0.08 0.64 1.00 -1.13 -2.12 0.00 0.00 175.29 173.60 2q8a n SER 7 N 1.13 -0.81 -4.74 5.90 3.41 -0.88 -4.97 113.62 112.66 2q8a n SER 7 Ca -0.11 0.14 -0.30 0.00 -0.26 0.00 0.00 58.87 58.35 2q8a n SER 7 Cb 0.53 -1.35 0.13 0.00 -0.26 0.00 0.00 64.21 63.26 2q8a n SER 7 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2q8a s GLY 8 N -2.47 1.61 0.21 5.00 0.00 -1.26 -4.66 107.32 105.74 2q8a s GLY 8 Ca 0.67 -0.17 -0.32 0.00 0.00 0.00 0.00 44.72 44.89 2q8a s GLY 8 CO 0.62 0.32 1.34 0.00 0.00 0.00 0.00 173.10 175.38 2q8a n ALA 9 N -3.79 0.48 -2.60 3.20 0.00 -1.26 -4.76 120.51 111.78 2q8a n ALA 9 Ca 0.07 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.62 2q8a n ALA 9 Cb 0.56 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 17.67 2q8a n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2q8a s GLU 10 N -0.26 2.62 -0.17 0.00 0.41 -0.15 -5.01 118.70 116.14 2q8a s GLU 10 Ca 0.71 -0.75 0.01 0.00 -0.41 0.00 0.00 54.97 54.53 2q8a s GLU 10 Cb -0.72 -2.35 0.02 0.00 -1.78 0.00 0.00 34.13 29.30 2q8a s GLU 10 CO 0.49 0.51 -0.16 -1.17 -0.49 0.00 0.00 175.26 174.44 2q8a s LEU 11 N -0.45 1.96 0.08 1.80 2.96 -1.26 -0.23 118.68 123.55 2q8a s LEU 11 Ca 0.05 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 2q8a s LEU 11 Cb -0.12 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 2q8a s LEU 11 CO 0.02 -0.05 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.15 2q8a s LEU 12 N 1.39 2.40 0.53 -0.68 1.43 -0.49 -5.01 118.68 118.25 2q8a s LEU 12 Ca 0.04 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.15 2q8a s LEU 12 Cb -0.13 -0.21 -0.06 0.00 0.03 0.00 0.00 46.19 45.81 2q8a s LEU 12 CO -0.11 -0.30 1.06 -1.59 0.23 0.00 0.00 176.35 175.63 2q8a s LYS 13 N -2.78 3.58 0.50 1.70 0.00 -1.25 -0.41 119.74 121.07 2q8a s LYS 13 Ca 0.04 1.34 -0.22 0.00 0.00 0.00 0.00 55.97 57.12 2q8a s LYS 13 Cb -0.02 -2.06 -0.08 0.00 0.00 0.00 0.00 37.83 35.67 2q8a s LYS 13 CO -0.01 -0.62 1.08 -2.30 0.00 0.00 0.00 175.35 173.50 2q8a n PRO 14 N -1.38 1.34 -0.02 1.78 -0.02 -1.26 -2.54 135.00 132.90 2q8a n PRO 14 Ca 0.09 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2q8a n PRO 14 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2q8a n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q8a n GLY 15 N 1.10 1.85 3.65 -1.23 0.00 0.10 -4.89 105.19 105.77 2q8a n GLY 15 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2q8a n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q8a n ALA 16 N -0.74 -1.24 -2.81 4.61 0.00 -1.05 -4.29 120.51 114.99 2q8a n ALA 16 Ca 0.00 -1.67 -0.14 0.00 0.00 0.00 0.00 53.44 51.63 2q8a n ALA 16 Cb 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.29 2q8a n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2q8a s SER 17 N -5.50 0.74 0.08 0.00 1.04 -1.26 -0.36 113.70 108.44 2q8a s SER 17 Ca 0.70 -0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.88 2q8a s SER 17 Cb -0.02 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 2q8a s SER 17 CO 0.49 -0.07 -0.20 0.54 0.98 0.00 0.00 173.24 174.98 2q8a s VAL 18 N -0.76 1.60 -0.25 5.02 0.11 -0.38 -4.98 120.40 120.77 2q8a s VAL 18 Ca -0.04 -1.39 0.02 0.00 -2.93 0.00 0.00 61.98 57.64 2q8a s VAL 18 Cb -0.06 -1.44 0.06 0.00 -1.53 0.00 0.00 36.38 33.40 2q8a s VAL 18 CO 0.00 -0.00 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.92 2q8a s LYS 19 N -1.65 2.09 0.13 1.54 2.20 -1.26 -0.62 119.74 122.16 2q8a s LYS 19 Ca 0.06 -1.23 -0.12 0.00 -0.36 0.00 0.00 55.97 54.31 2q8a s LYS 19 Cb -0.10 -2.79 -0.07 0.00 -1.51 0.00 0.00 37.83 33.37 2q8a s LYS 19 CO 0.03 -0.57 0.50 -0.51 -0.36 0.00 0.00 175.35 174.44 2q8a s LEU 20 N 1.19 4.33 0.24 5.43 1.43 0.16 -4.94 118.68 126.52 2q8a s LEU 20 Ca -0.08 0.96 0.11 0.00 -1.03 0.00 0.00 54.13 54.10 2q8a s LEU 20 Cb -0.19 -3.19 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 2q8a s LEU 20 CO -0.06 0.12 -0.17 -0.94 0.23 0.00 0.00 176.35 175.53 2q8a s SER 21 N -1.78 3.78 -0.30 2.29 1.04 -1.26 -1.23 113.70 116.24 2q8a s SER 21 Ca 0.37 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.91 2q8a s SER 21 Cb -0.14 -0.43 0.11 0.00 0.10 0.00 0.00 66.02 65.65 2q8a s SER 21 CO 0.19 0.07 0.14 0.00 0.98 0.00 0.00 173.24 174.62 2q8a s ILE 23 N 1.86 4.91 -0.17 0.00 1.01 0.72 -1.25 121.20 128.27 2q8a s ILE 23 Ca 0.11 0.82 -0.16 0.00 0.00 0.00 0.00 60.65 61.42 2q8a s ILE 23 Cb -0.17 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2q8a s ILE 23 CO -0.29 -0.20 0.38 -0.69 0.00 0.00 0.00 174.94 174.15 2q8a s VAL 24 N 2.68 5.23 0.12 2.92 1.01 -0.60 -0.54 120.40 131.22 2q8a s VAL 24 Ca 0.26 0.72 0.06 0.00 0.00 0.00 0.00 61.98 63.01 2q8a s VAL 24 Cb -0.15 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2q8a s VAL 24 CO 0.13 0.31 0.01 -0.44 0.00 0.00 0.00 175.10 175.11 2q8a s SER 25 N 0.77 4.97 0.00 3.32 0.01 -0.07 -4.65 113.70 118.05 2q8a s SER 25 Ca 0.20 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2q8a s SER 25 Cb -0.14 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 64.94 2q8a s SER 25 CO 0.07 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2q8a n GLY 26 N 0.30 0.33 3.05 3.44 0.00 -1.25 -2.03 105.19 109.04 2q8a n GLY 26 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2q8a n GLY 26 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2q8a s PHE 27 N -1.87 -0.17 -0.25 1.61 5.36 -1.26 -4.57 117.98 116.83 2q8a s PHE 27 Ca 0.00 0.42 -0.25 0.00 -0.96 0.00 0.00 56.93 56.15 2q8a s PHE 27 Cb 0.00 0.06 -0.00 0.00 -0.34 0.00 0.00 43.02 42.73 2q8a s PHE 27 CO 0.00 -0.10 0.83 0.15 -1.46 0.00 0.00 175.22 174.64 2q8a s LYS 28 N 0.00 4.16 0.44 10.12 1.02 -1.26 -4.92 119.74 129.29 2q8a s LYS 28 Ca -0.01 0.91 0.27 0.00 0.02 0.00 0.00 55.97 57.17 2q8a s LYS 28 Cb -0.02 -3.66 0.83 0.00 -0.52 0.00 0.00 37.83 34.47 2q8a s LYS 28 CO 0.00 -0.54 1.78 0.82 -0.92 0.00 0.00 175.35 176.48 2q8a h ILE 29 N 5.45 0.00 -0.95 2.17 5.03 -1.90 -3.38 117.51 123.93 2q8a h ILE 29 Ca -0.23 -0.69 0.19 0.00 -0.12 0.00 0.00 64.86 64.01 2q8a h ILE 29 Cb 1.09 1.66 -0.11 0.00 -3.03 0.00 0.00 36.82 36.44 2q8a h ILE 29 CO 0.88 0.00 0.54 0.50 -0.68 0.00 0.00 178.15 179.39 2q8a h LYS 30 N 0.00 0.64 0.00 2.37 3.64 -1.92 -1.33 116.57 119.97 2q8a h LYS 30 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2q8a h LYS 30 Cb 0.73 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2q8a h LYS 30 CO 0.00 0.43 -0.37 -0.25 -2.27 0.00 0.00 179.45 176.98 2q8a n ASP 31 N -4.84 0.43 -4.31 4.20 8.00 -1.26 -2.82 116.55 115.94 2q8a n ASP 31 Ca 0.22 0.05 -0.32 0.00 0.71 0.00 0.00 54.79 55.45 2q8a n ASP 31 Cb 0.57 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.51 2q8a n ASP 31 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2q8a s THR 32 N -3.04 2.56 0.19 -3.53 -4.23 -0.50 -5.05 115.64 102.04 2q8a s THR 32 Ca 0.11 -0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 59.46 2q8a s THR 32 Cb 0.17 -2.02 -0.09 0.00 1.34 0.00 0.00 72.50 71.90 2q8a s THR 32 CO 0.66 0.55 1.38 -0.44 -0.54 0.00 0.00 174.62 176.23 2q8a s SER 33 N 0.15 6.80 -0.36 3.99 0.01 -1.26 -4.48 113.70 118.54 2q8a s SER 33 Ca -0.10 2.47 -0.17 0.00 1.31 0.00 0.00 55.95 59.45 2q8a s SER 33 Cb -0.16 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.46 2q8a s SER 33 CO 0.06 -0.62 0.46 -0.04 0.41 0.00 0.00 173.24 173.51 2q8a s MET 34 N 0.20 3.53 0.09 12.44 -1.94 -0.76 -0.85 119.30 132.00 2q8a s MET 34 Ca 0.60 -0.31 0.01 0.00 -1.71 0.00 0.00 55.69 54.28 2q8a s MET 34 Cb -0.38 -3.83 -0.04 0.00 2.01 0.00 0.00 34.83 32.59 2q8a s MET 34 CO 0.37 -0.64 0.22 -1.01 -0.01 0.00 0.00 175.02 173.94 2q8a s HIS 35 N 2.27 3.48 -0.07 -0.03 3.76 -0.92 -0.78 115.29 123.00 2q8a s HIS 35 Ca 0.16 0.20 0.05 0.00 -0.15 0.00 0.00 55.06 55.32 2q8a s HIS 35 Cb -0.16 -1.72 -0.00 0.00 1.11 0.00 0.00 32.58 31.81 2q8a s HIS 35 CO 0.13 0.57 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.78 2q8a s TRP 36 N -1.56 2.28 -0.02 1.40 0.52 -0.46 0.02 118.94 121.12 2q8a s TRP 36 Ca 0.34 -0.77 0.04 0.00 0.02 0.00 0.00 56.10 55.73 2q8a s TRP 36 Cb -0.12 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 2q8a s TRP 36 CO 0.28 -0.28 -0.15 0.08 0.02 0.00 0.00 176.95 176.90 2q8a s VAL 37 N 0.08 1.20 -0.09 4.03 1.01 0.20 -1.02 120.40 125.81 2q8a s VAL 37 Ca -0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2q8a s VAL 37 Cb -0.15 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2q8a s VAL 37 CO 0.05 0.34 0.00 -0.75 0.00 0.00 0.00 175.10 174.75 2q8a s LYS 38 N -0.23 3.03 -0.15 2.72 2.20 0.73 -0.13 119.74 127.91 2q8a s LYS 38 Ca 0.03 -0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.19 2q8a s LYS 38 Cb -0.07 -2.81 0.05 0.00 -1.51 0.00 0.00 37.83 33.50 2q8a s LYS 38 CO 0.00 0.68 0.07 -1.14 -0.36 0.00 0.00 175.35 174.60 2q8a s GLN 39 N -0.82 0.19 0.45 4.03 0.74 0.16 -0.08 119.66 124.34 2q8a s GLN 39 Ca 0.12 -0.08 -0.19 0.00 0.05 0.00 0.00 55.36 55.26 2q8a s GLN 39 Cb -0.11 -1.67 -0.10 0.00 1.10 0.00 0.00 33.01 32.23 2q8a s GLN 39 CO 0.02 -0.60 0.95 1.03 -0.55 0.00 0.00 175.29 176.15 2q8a s ARG 40 N 2.08 4.13 -0.38 1.67 0.52 -1.26 -0.28 118.95 125.43 2q8a s ARG 40 Ca 0.02 1.05 -0.43 0.00 -0.52 0.00 0.00 55.73 55.85 2q8a s ARG 40 Cb -0.15 -2.18 -0.17 0.00 0.52 0.00 0.00 34.95 32.97 2q8a s ARG 40 CO -0.08 -0.10 1.73 -2.30 0.02 0.00 0.00 175.30 174.57 2q8a n PRO 41 N -0.93 0.65 -0.79 3.54 -0.02 -1.26 -0.21 135.00 135.98 2q8a n PRO 41 Ca 0.07 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2q8a n PRO 41 Cb 0.54 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2q8a n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2q8a n GLU 42 N 5.11 -0.17 -3.11 -0.52 1.02 -1.26 -4.99 120.64 116.72 2q8a n GLU 42 Ca 0.30 0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 57.29 2q8a n GLU 42 Cb 0.05 -3.58 0.05 0.00 -0.02 0.00 0.00 31.44 27.94 2q8a n GLU 42 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2q8a s GLN 43 N -0.58 2.39 0.95 3.49 -0.21 0.71 -5.13 119.66 121.28 2q8a s GLN 43 Ca 0.00 -1.61 -0.16 0.00 0.02 0.00 0.00 55.36 53.61 2q8a s GLN 43 Cb 0.00 -2.61 0.22 0.00 1.00 0.00 0.00 33.01 31.61 2q8a s GLN 43 CO 0.00 -0.73 1.29 0.41 -2.12 0.00 0.00 175.29 174.14 2q8a n GLY 44 N -2.13 -1.45 3.74 3.09 0.00 -1.26 -4.59 105.19 102.60 2q8a n GLY 44 Ca 0.13 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 2q8a n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q8a s LEU 45 N 0.00 4.44 -0.15 0.99 1.43 -1.26 -4.20 118.68 119.93 2q8a s LEU 45 Ca 0.73 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 2q8a s LEU 45 Cb -0.02 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 43.01 2q8a s LEU 45 CO 0.51 0.02 -0.15 -1.61 0.23 0.00 0.00 176.35 175.35 2q8a s GLU 46 N -0.03 2.35 0.10 1.70 2.02 0.88 -4.97 118.70 120.75 2q8a s GLU 46 Ca 0.38 -0.58 -0.31 0.00 0.02 0.00 0.00 54.97 54.48 2q8a s GLU 46 Cb -0.20 -2.13 -0.10 0.00 0.10 0.00 0.00 34.13 31.80 2q8a s GLU 46 CO 0.22 -0.23 1.82 -0.46 0.02 0.00 0.00 175.26 176.64 2q8a s TRP 47 N 1.45 2.06 -0.19 1.61 -0.00 -1.26 -0.19 118.94 122.42 2q8a s TRP 47 Ca 0.04 -0.03 -0.18 0.00 -0.00 0.00 0.00 56.10 55.94 2q8a s TRP 47 Cb -0.13 -4.15 -0.14 0.00 -0.00 0.00 0.00 33.47 29.05 2q8a s TRP 47 CO -0.11 -4.79 0.11 0.82 -0.00 0.00 0.00 176.95 172.98 2q8a h ILE 48 N 4.87 0.66 0.00 5.86 2.04 -1.44 -3.41 117.51 126.09 2q8a h ILE 48 Ca -0.46 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 63.57 2q8a h ILE 48 Cb 1.22 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 2q8a h ILE 48 CO 0.94 0.22 0.00 0.61 0.00 0.00 0.00 178.15 179.93 2q8a n GLY 49 N 1.49 -1.29 3.29 5.37 0.00 -1.16 -1.55 105.19 111.35 2q8a n GLY 49 Ca -0.24 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 2q8a n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2q8a s ARG 50 N -0.66 0.87 -0.01 1.61 1.70 -0.41 -1.36 118.95 120.70 2q8a s ARG 50 Ca 0.00 -0.41 0.08 0.00 -0.47 0.00 0.00 55.73 54.92 2q8a s ARG 50 Cb 0.00 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 2q8a s ARG 50 CO 0.00 -0.29 -0.24 -1.50 -1.08 0.00 0.00 175.30 172.19 2q8a s ILE 51 N -2.48 1.91 -0.53 4.99 2.07 0.04 -1.07 121.20 126.14 2q8a s ILE 51 Ca -0.05 -1.08 -0.23 0.00 -1.41 0.00 0.00 60.65 57.88 2q8a s ILE 51 Cb -0.01 -1.59 0.04 0.00 0.13 0.00 0.00 42.46 41.03 2q8a s ILE 51 CO -0.03 0.50 0.86 -0.62 -1.91 0.00 0.00 174.94 173.74 2q8a s ASP 52 N -0.68 6.33 0.44 4.50 -1.08 0.54 -1.84 116.67 124.89 2q8a s ASP 52 Ca 0.09 -0.43 0.20 0.00 -0.52 0.00 0.00 52.55 51.89 2q8a s ASP 52 Cb -0.09 -2.40 1.01 0.00 -1.46 0.00 0.00 42.92 39.98 2q8a s ASP 52 CO -0.00 -1.12 1.91 -0.65 0.52 0.00 0.00 175.17 175.82 2q8a h PRO 53 N 9.21 0.00 0.00 4.34 0.11 -1.79 0.12 132.00 143.99 2q8a h PRO 53 Ca -0.26 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 2q8a h PRO 53 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2q8a h PRO 53 CO 1.05 0.26 -0.28 0.00 -0.21 0.00 0.00 178.00 178.82 2q8a h ALA 54 N 1.74 1.39 0.00 -0.75 0.00 -1.83 -3.30 119.26 116.50 2q8a h ALA 54 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2q8a h ALA 54 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2q8a h ALA 54 CO 0.03 0.35 -0.07 0.27 0.00 0.00 0.00 179.25 179.83 2q8a n ASN 55 N -3.98 0.92 -1.84 0.00 0.23 -1.13 -5.02 115.26 104.43 2q8a n ASN 55 Ca -0.02 -1.70 -0.11 0.00 -0.53 0.00 0.00 54.58 52.22 2q8a n ASN 55 Cb 0.35 -0.07 -0.03 0.00 -2.08 0.00 0.00 39.78 37.94 2q8a n ASN 55 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2q8a n ASP 56 N -0.32 -3.27 -4.56 0.53 8.00 0.40 -4.92 116.55 112.40 2q8a n ASP 56 Ca 0.02 0.25 -0.43 0.00 0.71 0.00 0.00 54.79 55.34 2q8a n ASP 56 Cb 0.46 -2.96 -0.05 0.00 -0.02 0.00 0.00 41.12 38.55 2q8a n ASP 56 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2q8a s ASN 57 N -1.99 6.48 -0.05 -2.24 2.47 -1.17 -4.89 114.94 113.56 2q8a s ASN 57 Ca 0.00 0.12 0.04 0.00 0.42 0.00 0.00 52.86 53.44 2q8a s ASN 57 Cb 0.00 -2.40 -0.03 0.00 -1.45 0.00 0.00 41.25 37.37 2q8a s ASN 57 CO 0.00 -0.86 -0.15 -0.94 -3.72 0.00 0.00 177.10 171.43 2q8a s SER 58 N 2.03 3.98 0.17 -4.21 1.04 -1.26 -0.34 113.70 115.12 2q8a s SER 58 Ca 0.32 -0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.60 2q8a s SER 58 Cb -0.12 -0.84 -0.04 0.00 0.10 0.00 0.00 66.02 65.11 2q8a s SER 58 CO 0.21 0.34 -0.13 -1.83 0.98 0.00 0.00 173.24 172.81 2q8a s GLU 59 N -0.70 1.20 0.08 4.02 -1.05 -0.23 -4.98 118.70 117.04 2q8a s GLU 59 Ca 0.11 -1.49 -0.01 0.00 -0.15 0.00 0.00 54.97 53.43 2q8a s GLU 59 Cb -0.11 -0.96 -0.04 0.00 -0.44 0.00 0.00 34.13 32.59 2q8a s GLU 59 CO 0.01 0.16 0.01 0.71 0.95 0.00 0.00 175.26 177.09 2q8a s TYR 60 N -2.90 0.62 0.17 4.83 2.02 -1.26 -1.29 117.35 119.54 2q8a s TYR 60 Ca 0.18 -1.11 -0.30 0.00 -0.37 0.00 0.00 57.07 55.48 2q8a s TYR 60 Cb -0.01 -0.41 -0.08 0.00 -0.40 0.00 0.00 41.96 41.07 2q8a s TYR 60 CO 0.04 -0.43 1.21 0.34 -1.57 0.00 0.00 175.55 175.14 2q8a s ASP 61 N -2.96 7.07 0.65 2.29 -1.08 -0.59 -4.93 116.67 117.11 2q8a s ASP 61 Ca 0.13 2.22 0.21 0.00 -0.52 0.00 0.00 52.55 54.59 2q8a s ASP 61 Cb 0.08 -2.60 1.10 0.00 -1.46 0.00 0.00 42.92 40.03 2q8a s ASP 61 CO -0.06 -0.40 1.61 -0.65 0.52 0.00 0.00 175.17 176.19 2q8a h PRO 62 N 5.45 0.00 0.00 4.34 0.11 -1.97 0.34 132.00 140.26 2q8a h PRO 62 Ca -0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 2q8a h PRO 62 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2q8a h PRO 62 CO 0.76 0.00 -0.28 -0.22 -0.21 0.00 0.00 178.00 178.05 2q8a h LYS 63 N 0.00 0.00 -0.08 1.05 3.64 -1.96 -3.21 116.57 116.01 2q8a h LYS 63 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2q8a h LYS 63 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2q8a h LYS 63 CO -0.00 0.28 0.00 1.19 -2.27 0.00 0.00 179.45 178.65 2q8a n PHE 64 N -4.15 0.08 -1.92 1.91 3.72 0.12 -4.82 117.46 112.39 2q8a n PHE 64 Ca -0.02 -0.05 -0.43 0.00 -0.05 0.00 0.00 57.45 56.91 2q8a n PHE 64 Cb 0.33 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.85 2q8a n PHE 64 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2q8a s GLN 65 N -1.57 3.58 0.00 -1.08 -1.52 -1.17 -1.17 119.66 116.72 2q8a s GLN 65 Ca 0.25 1.81 0.00 0.00 -1.95 0.00 0.00 55.36 55.46 2q8a s GLN 65 Cb 0.17 -4.16 0.00 0.00 -0.22 0.00 0.00 33.01 28.79 2q8a s GLN 65 CO 0.25 -1.56 0.00 0.41 -0.25 0.00 0.00 175.29 174.13 2q8a n GLY 66 N 5.07 2.68 0.08 3.09 0.00 -1.26 -4.89 105.19 109.95 2q8a n GLY 66 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 2q8a n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2q8a n LYS 67 N -0.80 0.49 -3.74 1.61 3.00 -0.52 -4.74 118.16 113.47 2q8a n LYS 67 Ca 0.00 0.38 -0.35 0.00 -0.00 0.00 0.00 58.31 58.33 2q8a n LYS 67 Cb 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 35.03 33.41 2q8a n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2q8a s ALA 68 N -2.80 3.83 -0.14 3.14 0.00 -0.32 -1.67 121.76 123.79 2q8a s ALA 68 Ca -0.22 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2q8a s ALA 68 Cb 0.03 -2.10 0.05 0.00 0.00 0.00 0.00 23.12 21.10 2q8a s ALA 68 CO 0.33 0.62 0.01 0.99 0.00 0.00 0.00 175.76 177.71 2q8a s THR 69 N -1.24 0.53 -0.23 0.00 2.01 0.32 -4.80 115.64 112.24 2q8a s THR 69 Ca 0.26 -0.30 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 2q8a s THR 69 Cb -0.13 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 2q8a s THR 69 CO 0.14 0.01 0.12 -0.63 -0.69 0.00 0.00 174.62 173.58 2q8a s ILE 70 N 1.88 5.09 0.32 1.82 1.01 -1.26 -0.68 121.20 129.38 2q8a s ILE 70 Ca 0.02 0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.82 2q8a s ILE 70 Cb -0.15 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 38.90 2q8a s ILE 70 CO -0.07 0.37 -0.03 0.42 0.00 0.00 0.00 174.94 175.63 2q8a s THR 71 N 0.97 1.71 0.03 2.92 -4.23 -0.67 -4.80 115.64 111.57 2q8a s THR 71 Ca 0.06 -2.09 -0.09 0.00 -1.18 0.00 0.00 61.69 58.39 2q8a s THR 71 Cb -0.13 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.06 2q8a s THR 71 CO 0.03 -0.17 0.18 0.00 -0.54 0.00 0.00 174.62 174.12 2q8a s ALA 72 N -2.95 -0.35 -0.25 3.99 0.00 -1.26 -0.51 121.76 120.44 2q8a s ALA 72 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 2q8a s ALA 72 Cb 0.06 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.47 2q8a s ALA 72 CO 0.14 -0.31 0.04 0.34 0.00 0.00 0.00 175.76 175.97 2q8a s ASP 73 N -1.86 3.55 0.41 0.00 2.15 0.14 -4.99 116.67 116.06 2q8a s ASP 73 Ca -0.08 -1.21 0.26 0.00 0.43 0.00 0.00 52.55 51.95 2q8a s ASP 73 Cb -0.03 -0.83 0.77 0.00 -0.30 0.00 0.00 42.92 42.52 2q8a s ASP 73 CO -0.02 -0.33 1.75 0.71 -0.17 0.00 0.00 175.17 177.11 2q8a h THR 74 N 6.54 0.00 -0.27 1.71 1.35 -1.88 0.40 112.91 120.77 2q8a h THR 74 Ca -0.15 -0.69 -0.06 0.00 -0.55 0.00 0.00 66.41 64.96 2q8a h THR 74 Cb 1.07 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 2q8a h THR 74 CO 0.40 0.00 -0.05 0.28 -0.25 0.00 0.00 175.52 175.90 2q8a h SER 75 N 0.00 0.52 -0.36 5.36 0.02 -1.95 -3.29 113.55 113.85 2q8a h SER 75 Ca 0.00 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2q8a h SER 75 Cb 0.75 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2q8a h SER 75 CO 0.00 0.75 0.00 -1.54 -1.14 0.00 0.00 176.83 174.90 2q8a n SER 76 N -4.53 2.97 -4.11 3.07 3.41 -1.20 -4.99 113.62 108.24 2q8a n SER 76 Ca -0.03 -1.92 -0.31 0.00 -0.26 0.00 0.00 58.87 56.34 2q8a n SER 76 Cb 0.30 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2q8a n SER 76 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2q8a n ASN 77 N 0.77 -1.68 -4.30 4.04 3.02 0.05 -4.71 115.26 112.45 2q8a n ASN 77 Ca 0.13 -1.03 -0.30 0.00 -0.03 0.00 0.00 54.58 53.36 2q8a n ASN 77 Cb 0.45 -2.82 -0.16 0.00 -0.61 0.00 0.00 39.78 36.64 2q8a n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2q8a s THR 78 N -3.67 1.97 0.06 3.41 2.01 -0.71 -1.56 115.64 117.14 2q8a s THR 78 Ca 0.36 -1.13 0.06 0.00 0.31 0.00 0.00 61.69 61.29 2q8a s THR 78 Cb -0.19 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2q8a s THR 78 CO 0.91 0.49 -0.09 0.00 -0.69 0.00 0.00 174.62 175.24 2q8a s ALA 79 N -0.64 2.95 0.04 7.40 0.00 -0.38 0.27 121.76 131.40 2q8a s ALA 79 Ca 0.10 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 50.95 2q8a s ALA 79 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 2q8a s ALA 79 CO -0.00 0.63 -0.15 0.71 0.00 0.00 0.00 175.76 176.94 2q8a s TYR 80 N -1.12 1.32 -0.21 0.00 2.02 0.34 -0.45 117.35 119.26 2q8a s TYR 80 Ca 0.19 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 2q8a s TYR 80 Cb -0.11 -0.78 0.05 0.00 -0.40 0.00 0.00 41.96 40.71 2q8a s TYR 80 CO 0.11 0.05 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.89 2q8a s LEU 81 N -1.17 2.34 -0.17 -1.29 2.96 -0.36 -1.66 118.68 119.33 2q8a s LEU 81 Ca 0.02 -0.98 -0.12 0.00 -0.22 0.00 0.00 54.13 52.84 2q8a s LEU 81 Cb -0.08 -1.19 -0.05 0.00 0.50 0.00 0.00 46.19 45.37 2q8a s LEU 81 CO 0.01 -0.18 0.22 -1.58 -1.32 0.00 0.00 176.35 173.51 2q8a s GLN 82 N 1.41 4.15 -0.13 1.98 0.74 0.14 -0.67 119.66 127.29 2q8a s GLN 82 Ca -0.03 -0.03 0.02 0.00 0.05 0.00 0.00 55.36 55.37 2q8a s GLN 82 Cb -0.17 -3.40 -0.00 0.00 1.10 0.00 0.00 33.01 30.54 2q8a s GLN 82 CO -0.07 0.32 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.29 2q8a s LEU 83 N 0.25 2.34 0.35 3.68 1.02 0.21 -0.52 118.68 126.00 2q8a s LEU 83 Ca 0.13 -0.50 0.08 0.00 0.02 0.00 0.00 54.13 53.86 2q8a s LEU 83 Cb -0.12 -1.50 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 2q8a s LEU 83 CO 0.02 0.12 0.21 -0.94 0.02 0.00 0.00 176.35 175.78 2q8a s SER 84 N 0.61 4.89 -1.25 2.29 1.04 -0.67 -1.24 113.70 119.36 2q8a s SER 84 Ca -0.10 -0.70 -0.23 0.00 0.48 0.00 0.00 55.95 55.40 2q8a s SER 84 Cb -0.16 -0.78 0.02 0.00 0.10 0.00 0.00 66.02 65.20 2q8a s SER 84 CO 0.03 -0.36 0.60 -1.20 0.98 0.00 0.00 173.24 173.30 2q8a n SER 85 N -1.26 -3.44 -4.63 7.02 7.64 -1.12 -4.82 113.62 113.01 2q8a n SER 85 Ca -0.02 -1.19 -0.40 0.00 1.01 0.00 0.00 58.87 58.27 2q8a n SER 85 Cb 0.61 -2.31 0.03 0.00 -1.01 0.00 0.00 64.21 61.53 2q8a n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2q8a n LEU 86 N -4.68 3.24 -3.80 -3.43 4.32 0.52 -4.58 117.00 108.58 2q8a n LEU 86 Ca -0.15 0.96 -0.11 0.00 -0.02 0.00 0.00 56.01 56.70 2q8a n LEU 86 Cb 0.60 -1.39 -0.08 0.00 -1.62 0.00 0.00 43.42 40.93 2q8a n LEU 86 CO 0.74 -1.47 -0.04 -0.89 -1.22 0.00 0.00 177.39 174.51 2q8a s THR 87 N -1.35 0.10 0.57 -5.08 2.01 -1.26 0.00 115.64 110.64 2q8a s THR 87 Ca 0.67 -0.85 0.27 0.00 0.31 0.00 0.00 61.69 62.09 2q8a s THR 87 Cb -0.49 -1.01 0.34 0.00 0.01 0.00 0.00 72.50 71.34 2q8a s THR 87 CO 0.54 -0.47 2.22 0.77 -0.69 0.00 0.00 174.62 176.99 2q8a h SER 88 N 3.19 0.00 0.75 3.53 4.64 -1.96 0.16 113.55 123.87 2q8a h SER 88 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2q8a h SER 88 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2q8a h SER 88 CO 0.49 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.12 2q8a h GLU 89 N 0.00 0.00 0.00 4.77 3.07 -1.96 -2.44 114.58 118.02 2q8a h GLU 89 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2q8a h GLU 89 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2q8a h GLU 89 CO -0.00 0.00 -0.06 -0.25 -1.40 0.00 0.00 179.01 177.30 2q8a n ASP 90 N -2.85 0.50 -4.63 1.42 8.00 0.56 -4.79 116.55 114.75 2q8a n ASP 90 Ca 0.00 0.49 -0.43 0.00 0.71 0.00 0.00 54.79 55.57 2q8a n ASP 90 Cb 0.24 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 2q8a n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2q8a s THR 91 N -3.06 3.08 0.02 -3.53 2.01 -0.92 -4.86 115.64 108.37 2q8a s THR 91 Ca 0.12 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 2q8a s THR 91 Cb 0.15 -3.08 0.11 0.00 0.01 0.00 0.00 72.50 69.69 2q8a s THR 91 CO 0.58 -0.03 1.18 0.00 -0.69 0.00 0.00 174.62 175.66 2q8a s ALA 92 N 6.21 -2.05 -0.03 7.40 0.00 -0.87 -4.50 121.76 127.91 2q8a s ALA 92 Ca 0.92 0.62 -0.21 0.00 0.00 0.00 0.00 51.96 53.29 2q8a s ALA 92 Cb -0.37 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 2q8a s ALA 92 CO 0.38 -1.00 0.62 0.08 0.00 0.00 0.00 175.76 175.83 2q8a s VAL 93 N -2.68 4.98 -0.25 0.00 1.01 0.62 -0.69 120.40 123.38 2q8a s VAL 93 Ca 0.13 1.29 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 2q8a s VAL 93 Cb 0.02 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2q8a s VAL 93 CO -0.02 0.35 -0.03 -0.31 0.00 0.00 0.00 175.10 175.09 2q8a s TYR 94 N 0.22 3.04 -0.15 5.22 2.02 0.15 -0.66 117.35 127.18 2q8a s TYR 94 Ca 0.33 -1.25 -0.12 0.00 -0.37 0.00 0.00 57.07 55.67 2q8a s TYR 94 Cb -0.18 -2.11 -0.05 0.00 -0.40 0.00 0.00 41.96 39.23 2q8a s TYR 94 CO 0.17 -0.64 0.23 0.71 -1.57 0.00 0.00 175.55 174.44 2q8a s TYR 95 N 1.41 3.49 0.14 2.71 2.02 0.82 -0.79 117.35 127.16 2q8a s TYR 95 Ca 0.03 0.54 -0.04 0.00 -0.37 0.00 0.00 57.07 57.22 2q8a s TYR 95 Cb -0.16 -2.21 -0.05 0.00 -0.40 0.00 0.00 41.96 39.14 2q8a s TYR 95 CO -0.03 0.38 0.37 0.00 -1.57 0.00 0.00 175.55 174.70 2q8a s THR 97 N -1.67 1.44 -0.79 0.00 -4.23 0.10 -0.13 115.64 110.36 2q8a s THR 97 Ca 0.41 -0.76 -0.22 0.00 -1.18 0.00 0.00 61.69 59.94 2q8a s THR 97 Cb -0.12 -1.21 0.09 0.00 1.34 0.00 0.00 72.50 72.59 2q8a s THR 97 CO 0.25 0.41 1.08 -0.22 -0.54 0.00 0.00 174.62 175.61 2q8a s LEU 98 N -0.25 4.44 0.00 4.79 2.96 0.12 -2.18 118.68 128.57 2q8a s LEU 98 Ca 0.03 -1.35 0.00 0.00 -0.22 0.00 0.00 54.13 52.59 2q8a s LEU 98 Cb -0.09 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.17 2q8a s LEU 98 CO 0.00 -1.35 0.00 -0.24 -1.32 0.00 0.00 176.35 173.44 2q8a n SER 99 N 7.55 0.00 -1.06 3.68 2.88 -0.03 -0.85 113.62 125.79 2q8a n SER 99 Ca 0.09 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.71 2q8a n SER 99 Cb 0.47 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.17 2q8a n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2q8a n HIS 100 N 10.08 0.87 -3.87 0.66 1.44 -1.26 -4.76 115.22 118.37 2q8a n HIS 100 Ca 0.00 -0.38 -0.36 0.00 -2.01 0.00 0.00 57.72 54.97 2q8a n HIS 100 Cb 0.00 -0.10 -0.12 0.00 0.12 0.00 0.00 29.99 29.89 2q8a n HIS 100 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2q8a s PHE 101 N -1.55 3.10 0.01 -1.40 2.99 -0.03 -5.10 117.98 116.01 2q8a s PHE 101 Ca 0.35 -0.34 -0.11 0.00 0.00 0.00 0.00 56.93 56.83 2q8a s PHE 101 Cb 0.20 -2.18 -0.05 0.00 0.00 0.00 0.00 43.02 40.99 2q8a s PHE 101 CO 0.20 -0.25 0.35 -1.58 -0.00 0.00 0.00 175.22 173.94 2q8a s TRP 102 N 1.28 3.65 1.10 0.36 0.52 -1.26 0.13 118.94 124.71 2q8a s TRP 102 Ca 0.05 0.81 -0.17 0.00 0.02 0.00 0.00 56.10 56.81 2q8a s TRP 102 Cb -0.15 -2.16 0.24 0.00 -1.15 0.00 0.00 33.47 30.25 2q8a s TRP 102 CO 0.03 0.61 1.13 0.20 0.02 0.00 0.00 176.95 178.95 2q8a s GLY 103 N -1.37 1.60 0.00 0.98 0.00 0.81 -4.95 107.32 104.39 2q8a s GLY 103 Ca 0.26 -0.80 0.29 0.00 0.00 0.00 0.00 44.72 44.48 2q8a s GLY 103 CO 0.14 -0.02 1.95 -1.06 0.00 0.00 0.00 173.10 174.10 2q8a n GLN 104 N -4.42 0.41 0.00 2.90 1.13 -1.26 -4.81 117.38 111.33 2q8a n GLN 104 Ca 0.11 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2q8a n GLN 104 Cb 0.59 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.44 2q8a n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2q8a n GLY 105 N 1.33 -0.01 3.08 1.08 0.00 -1.26 -5.01 105.19 104.39 2q8a n GLY 105 Ca 0.13 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 2q8a n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q8a s THR 106 N -2.95 1.72 -0.28 2.61 2.01 0.03 -4.86 115.64 113.92 2q8a s THR 106 Ca 0.00 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 60.96 2q8a s THR 106 Cb 0.00 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.96 2q8a s THR 106 CO 0.00 0.48 1.05 -0.89 -0.69 0.00 0.00 174.62 174.58 2q8a s THR 107 N 1.16 4.60 -0.22 -0.82 2.01 -1.26 -0.68 115.64 120.43 2q8a s THR 107 Ca -0.01 1.87 -0.07 0.00 0.31 0.00 0.00 61.69 63.78 2q8a s THR 107 Cb -0.14 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 2q8a s THR 107 CO -0.06 -0.33 0.07 -0.22 -0.69 0.00 0.00 174.62 173.39 2q8a s LEU 108 N 3.42 3.63 -0.23 4.42 2.96 0.13 -0.98 118.68 132.05 2q8a s LEU 108 Ca 0.45 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 54.25 2q8a s LEU 108 Cb -0.14 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 2q8a s LEU 108 CO 0.11 0.06 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.29 2q8a s THR 109 N 1.02 3.57 -0.38 3.68 2.01 0.68 -2.06 115.64 124.16 2q8a s THR 109 Ca 0.04 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.50 2q8a s THR 109 Cb -0.14 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.76 2q8a s THR 109 CO 0.03 0.40 0.21 -0.69 -0.69 0.00 0.00 174.62 173.88 2q8a s VAL 110 N 1.51 4.55 -0.21 3.82 1.01 -1.26 -1.40 120.40 128.42 2q8a s VAL 110 Ca 0.06 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 2q8a s VAL 110 Cb -0.14 -3.56 0.08 0.00 0.00 0.00 0.00 36.38 32.76 2q8a s VAL 110 CO -0.02 -0.26 0.77 -0.55 0.00 0.00 0.00 175.10 175.04 2q8a s SER 111 N 1.58 -0.67 0.06 3.32 0.15 0.45 -4.55 113.70 114.04 2q8a s SER 111 Ca 0.02 1.13 0.26 0.00 0.70 0.00 0.00 55.95 58.05 2q8a s SER 111 Cb -0.19 1.09 1.03 0.00 -1.71 0.00 0.00 66.02 66.24 2q8a s SER 111 CO 0.06 -0.33 1.81 -1.54 1.20 0.00 0.00 173.24 174.44 2q8a n SER 112 N 2.06 0.22 -4.77 5.45 3.41 -1.26 -3.80 113.62 114.93 2q8a n SER 112 Ca -0.15 0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 58.59 2q8a n SER 112 Cb 0.56 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 2q8a n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q8a s ALA 113 N -3.04 3.31 0.36 7.33 0.00 -1.26 -5.03 121.76 123.42 2q8a s ALA 113 Ca 0.12 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 2q8a s ALA 113 Cb 0.15 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 2q8a s ALA 113 CO 0.49 -0.47 0.65 0.15 0.00 0.00 0.00 175.76 176.58 2q8a s LYS 114 N -1.96 3.63 -0.08 0.00 -0.14 -1.26 -5.00 119.74 114.92 2q8a s LYS 114 Ca 0.52 0.11 -0.29 0.00 -1.36 0.00 0.00 55.97 54.95 2q8a s LYS 114 Cb -0.33 -2.54 -0.07 0.00 -1.68 0.00 0.00 37.83 33.21 2q8a s LYS 114 CO 0.43 0.07 2.09 0.99 -0.76 0.00 0.00 175.35 178.17 2q8a s THR 115 N -2.31 3.01 -0.11 2.17 2.01 -1.26 -4.70 115.64 114.46 2q8a s THR 115 Ca 0.46 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.48 2q8a s THR 115 Cb -0.10 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.42 2q8a s THR 115 CO 0.34 -0.00 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.26 2q8a s THR 116 N 6.29 1.25 0.57 -0.82 2.01 0.35 -4.95 115.64 120.34 2q8a s THR 116 Ca 0.94 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 62.28 2q8a s THR 116 Cb -0.38 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2q8a s THR 116 CO 0.39 0.40 1.21 -2.16 -0.69 0.00 0.00 174.62 173.76 2q8a s PRO 117 N 1.26 3.09 0.49 4.92 0.04 -1.26 -0.72 135.00 142.82 2q8a s PRO 117 Ca -0.02 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 2q8a s PRO 117 Cb -0.14 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 2q8a s PRO 117 CO -0.04 -1.11 0.89 -1.25 0.04 0.00 0.00 177.00 175.53 2q8a s PRO 118 N -3.23 3.77 -0.07 0.56 0.04 -1.26 -4.49 135.00 130.32 2q8a s PRO 118 Ca 0.75 0.65 -0.05 0.00 0.04 0.00 0.00 61.00 62.39 2q8a s PRO 118 Cb -0.31 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 2q8a s PRO 118 CO 0.34 -0.24 0.17 -1.54 0.04 0.00 0.00 177.00 175.77 2q8a s SER 119 N -3.45 6.39 -0.24 6.66 1.04 -1.11 -4.98 113.70 118.01 2q8a s SER 119 Ca 0.54 0.43 -0.06 0.00 0.48 0.00 0.00 55.95 57.34 2q8a s SER 119 Cb -0.10 -2.05 -0.02 0.00 0.10 0.00 0.00 66.02 63.95 2q8a s SER 119 CO 0.37 0.34 0.02 -0.69 0.98 0.00 0.00 173.24 174.26 2q8a s VAL 120 N -1.16 3.85 -0.21 5.02 1.01 -1.26 -2.85 120.40 124.81 2q8a s VAL 120 Ca 0.21 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2q8a s VAL 120 Cb -0.12 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 2q8a s VAL 120 CO 0.11 0.37 -0.05 -0.31 0.00 0.00 0.00 175.10 175.21 2q8a s TYR 121 N 1.55 2.94 0.33 5.22 2.02 -0.02 -4.95 117.35 124.45 2q8a s TYR 121 Ca 0.06 -0.92 -0.28 0.00 -0.37 0.00 0.00 57.07 55.57 2q8a s TYR 121 Cb -0.15 -2.07 -0.09 0.00 -0.40 0.00 0.00 41.96 39.25 2q8a s TYR 121 CO 0.00 -0.51 1.16 -1.25 -1.57 0.00 0.00 175.55 173.38 2q8a s PRO 122 N 1.35 4.38 -0.51 -1.71 0.04 -1.26 0.22 135.00 137.51 2q8a s PRO 122 Ca 0.04 1.88 0.02 0.00 0.04 0.00 0.00 61.00 62.98 2q8a s PRO 122 Cb -0.14 -2.97 0.13 0.00 0.04 0.00 0.00 34.50 31.55 2q8a s PRO 122 CO -0.03 -0.04 0.26 -0.51 0.04 0.00 0.00 177.00 176.72 2q8a s LEU 123 N -1.90 4.63 0.13 -3.56 1.43 -0.46 -4.87 118.68 114.08 2q8a s LEU 123 Ca 0.50 -2.80 0.05 0.00 -1.03 0.00 0.00 54.13 50.84 2q8a s LEU 123 Cb -0.32 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2q8a s LEU 123 CO 0.42 -0.30 0.10 0.00 0.23 0.00 0.00 176.35 176.80 2q8a s ALA 124 N 0.01 3.52 0.14 4.21 0.00 -1.26 -2.04 121.76 126.33 2q8a s ALA 124 Ca 0.16 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 2q8a s ALA 124 Cb -0.23 -1.35 -0.07 0.00 0.00 0.00 0.00 23.12 21.47 2q8a s ALA 124 CO -0.02 0.59 1.56 -1.35 0.00 0.00 0.00 175.76 176.55 2q8a h PRO 125 N 2.79 -0.42 -0.70 0.00 0.11 -1.99 -3.50 132.00 128.29 2q8a h PRO 125 Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2q8a h PRO 125 Cb 1.19 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2q8a h PRO 125 CO 0.63 -0.28 -0.18 0.41 -0.21 0.00 0.00 178.00 178.37 2q8a n GLY 126 N -1.42 -3.14 5.00 -0.55 0.00 -1.26 -5.25 105.19 98.58 2q8a n GLY 126 Ca -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2q8a n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q8a n GLY 132 N 0.00 -2.24 0.25 0.00 0.00 -1.26 -5.35 105.19 96.59 2q8a n GLY 132 Ca 0.00 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.82 2q8a n GLY 132 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2q8a h SER 133 N -0.54 0.00 -2.48 1.61 4.64 -2.01 -3.46 113.55 111.32 2q8a h SER 133 Ca -0.04 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.73 2q8a h SER 133 Cb 0.53 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.48 2q8a h SER 133 CO 0.02 0.09 -0.69 -0.94 -0.87 0.00 0.00 176.83 174.44 2q8a s SER 134 N -5.93 3.23 -0.01 4.97 1.04 -1.26 -2.35 113.70 113.39 2q8a s SER 134 Ca 0.01 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2q8a s SER 134 Cb 0.09 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.97 2q8a s SER 134 CO 0.59 -0.22 -0.01 0.54 0.98 0.00 0.00 173.24 175.12 2q8a s VAL 135 N -2.78 0.12 -0.16 5.02 0.11 -0.74 -4.72 120.40 117.25 2q8a s VAL 135 Ca 0.30 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.29 2q8a s VAL 135 Cb 0.02 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.67 2q8a s VAL 135 CO 0.14 0.08 0.08 -0.89 -3.33 0.00 0.00 175.10 171.17 2q8a s THR 136 N 0.40 4.97 0.41 5.04 2.01 -1.26 -1.54 115.64 125.67 2q8a s THR 136 Ca -0.04 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.06 2q8a s THR 136 Cb -0.06 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.18 2q8a s THR 136 CO -0.01 0.50 0.15 -0.76 -0.69 0.00 0.00 174.62 173.81 2q8a s LEU 137 N -0.00 3.08 0.30 4.42 1.43 0.80 -4.66 118.68 124.05 2q8a s LEU 137 Ca 0.07 -1.13 -0.18 0.00 -1.03 0.00 0.00 54.13 51.86 2q8a s LEU 137 Cb -0.12 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.78 2q8a s LEU 137 CO 0.01 -0.53 0.69 -0.83 0.23 0.00 0.00 176.35 175.91 2q8a s GLY 138 N -3.87 0.18 -0.03 -3.19 0.00 -0.87 -1.38 107.32 98.16 2q8a s GLY 138 Ca 0.40 -0.55 -0.00 0.00 0.00 0.00 0.00 44.72 44.57 2q8a s GLY 138 CO 0.22 -0.26 0.03 0.00 0.00 0.00 0.00 173.10 173.09 2q8a s LEU 140 N 1.26 4.11 -0.63 0.00 2.96 0.13 -2.33 118.68 124.18 2q8a s LEU 140 Ca -0.07 0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 54.31 2q8a s LEU 140 Cb -0.13 -2.53 0.16 0.00 0.50 0.00 0.00 46.19 44.19 2q8a s LEU 140 CO -0.03 -0.14 0.43 -0.69 -1.32 0.00 0.00 176.35 174.60 2q8a s VAL 141 N 1.66 3.48 0.10 1.68 1.01 -0.35 -0.84 120.40 127.14 2q8a s VAL 141 Ca 0.19 -3.19 0.04 0.00 0.00 0.00 0.00 61.98 59.02 2q8a s VAL 141 Cb -0.15 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2q8a s VAL 141 CO 0.09 -0.89 0.03 -0.54 0.00 0.00 0.00 175.10 173.80 2q8a s LYS 142 N -0.31 2.67 -1.17 2.72 1.02 -1.13 -1.50 119.74 122.04 2q8a s LYS 142 Ca 0.18 -0.81 -0.06 0.00 0.02 0.00 0.00 55.97 55.31 2q8a s LYS 142 Cb -0.20 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 2q8a s LYS 142 CO -0.04 0.54 0.80 0.41 -0.92 0.00 0.00 175.35 176.15 2q8a n GLY 143 N 0.43 -0.29 3.80 -3.33 0.00 -0.23 -2.76 105.19 102.82 2q8a n GLY 143 Ca -0.10 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2q8a n GLY 143 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2q8a s TYR 144 N -3.19 2.79 -0.28 1.61 -0.85 -1.00 -4.56 117.35 111.88 2q8a s TYR 144 Ca 0.40 -0.36 -0.25 0.00 -0.52 0.00 0.00 57.07 56.34 2q8a s TYR 144 Cb -0.18 -1.75 0.11 0.00 0.38 0.00 0.00 41.96 40.52 2q8a s TYR 144 CO 0.49 0.24 0.95 0.12 -1.52 0.00 0.00 175.55 175.83 2q8a s PHE 145 N -2.38 -0.55 0.13 -3.49 2.19 0.10 0.51 117.98 114.49 2q8a s PHE 145 Ca 0.40 1.34 -0.01 0.00 0.33 0.00 0.00 56.93 58.99 2q8a s PHE 145 Cb -0.04 0.34 0.03 0.00 -1.31 0.00 0.00 43.02 42.04 2q8a s PHE 145 CO 0.25 -0.27 0.18 -0.35 1.83 0.00 0.00 175.22 176.86 2q8a n PRO 146 N 2.32 0.29 -0.73 10.12 -0.04 -1.26 -0.50 135.00 145.21 2q8a n PRO 146 Ca -0.13 -0.41 -0.32 0.00 -0.04 0.00 0.00 63.50 62.61 2q8a n PRO 146 Cb 0.56 -0.14 0.15 0.00 -0.04 0.00 0.00 33.50 34.02 2q8a n PRO 146 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2q8a n GLU 147 N -1.34 -0.45 0.00 0.54 -0.58 -1.26 -4.80 120.64 112.75 2q8a n GLU 147 Ca 0.03 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2q8a n GLU 147 Cb 0.09 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 28.86 2q8a n GLU 147 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2q8a n SER 148 N -2.77 0.00 -4.18 1.62 7.64 -1.26 -4.95 113.62 109.72 2q8a n SER 148 Ca 0.09 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.65 2q8a n SER 148 Cb 0.53 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.56 2q8a n SER 148 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2q8a s VAL 149 N -0.08 1.99 -0.37 0.44 1.01 -1.26 -4.28 120.40 117.85 2q8a s VAL 149 Ca 0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 2q8a s VAL 149 Cb 0.00 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.73 2q8a s VAL 149 CO 0.00 0.54 0.13 -0.89 0.00 0.00 0.00 175.10 174.88 2q8a s THR 150 N 0.61 3.06 -0.34 3.92 2.01 -0.27 -4.93 115.64 119.70 2q8a s THR 150 Ca -0.12 -1.92 -0.15 0.00 0.31 0.00 0.00 61.69 59.81 2q8a s THR 150 Cb -0.17 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 2q8a s THR 150 CO 0.03 -0.53 0.33 0.54 -0.69 0.00 0.00 174.62 174.31 2q8a s VAL 151 N 1.13 5.20 -0.04 3.82 0.11 -1.25 -0.96 120.40 128.41 2q8a s VAL 151 Ca 0.05 -0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 2q8a s VAL 151 Cb -0.21 -3.80 -0.02 0.00 -1.53 0.00 0.00 36.38 30.81 2q8a s VAL 151 CO -0.04 -0.08 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.57 2q8a s THR 152 N 1.94 2.64 -0.21 5.04 2.01 -0.34 -4.90 115.64 121.82 2q8a s THR 152 Ca 0.10 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.15 2q8a s THR 152 Cb -0.17 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2q8a s THR 152 CO 0.11 0.59 0.06 0.26 -0.69 0.00 0.00 174.62 174.95 2q8a s TRP 153 N -0.65 3.16 -0.43 4.92 0.52 -1.26 -0.43 118.94 124.76 2q8a s TRP 153 Ca 0.10 -0.16 0.05 0.00 0.02 0.00 0.00 56.10 56.11 2q8a s TRP 153 Cb -0.11 -2.15 0.17 0.00 -1.15 0.00 0.00 33.47 30.24 2q8a s TRP 153 CO 0.00 -0.09 0.44 -0.80 0.02 0.00 0.00 176.95 176.52 2q8a s ASN 154 N 0.95 0.71 0.00 2.95 0.02 -0.54 -4.99 114.94 114.03 2q8a s ASN 154 Ca 0.04 -2.63 0.00 0.00 -1.02 0.00 0.00 52.86 49.24 2q8a s ASN 154 Cb -0.14 0.21 0.00 0.00 0.02 0.00 0.00 41.25 41.34 2q8a s ASN 154 CO 0.03 -0.15 0.00 -1.54 0.02 0.00 0.00 177.10 175.46 2q8a n SER 160 N 2.97 0.00 -1.16 -1.22 3.41 -1.26 -2.49 113.62 113.87 2q8a n SER 160 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2q8a n SER 160 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2q8a n SER 160 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2q8a n SER 161 N -3.00 1.65 -4.87 4.04 2.88 -1.26 -4.79 113.62 108.27 2q8a n SER 161 Ca 0.00 -1.09 -0.37 0.00 -1.33 0.00 0.00 58.87 56.08 2q8a n SER 161 Cb 0.00 -0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.10 2q8a n SER 161 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2q8a s VAL 162 N 0.64 5.46 -0.11 2.46 1.01 -1.26 -2.56 120.40 126.04 2q8a s VAL 162 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2q8a s VAL 162 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2q8a s VAL 162 CO 0.00 0.60 -0.22 -1.00 0.00 0.00 0.00 175.10 174.48 2q8a s HIS 163 N -1.04 2.48 -0.27 5.22 3.76 0.57 -4.99 115.29 121.03 2q8a s HIS 163 Ca 0.16 -1.08 -0.07 0.00 -0.15 0.00 0.00 55.06 53.92 2q8a s HIS 163 Cb -0.12 -1.68 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 2q8a s HIS 163 CO 0.05 -0.46 0.06 0.99 -0.85 0.00 0.00 174.74 174.53 2q8a s THR 164 N 0.49 4.03 -0.36 1.30 2.01 -1.26 -0.58 115.64 121.27 2q8a s THR 164 Ca -0.16 -0.45 -0.17 0.00 0.31 0.00 0.00 61.69 61.22 2q8a s THR 164 Cb -0.17 -2.97 -0.00 0.00 0.01 0.00 0.00 72.50 69.37 2q8a s THR 164 CO 0.06 0.23 0.45 -0.36 -0.69 0.00 0.00 174.62 174.31 2q8a s PHE 165 N 1.55 3.18 0.47 4.92 0.08 -0.21 -5.03 117.98 122.93 2q8a s PHE 165 Ca 0.05 0.00 -0.23 0.00 0.12 0.00 0.00 56.93 56.87 2q8a s PHE 165 Cb -0.16 -2.85 -0.09 0.00 -0.57 0.00 0.00 43.02 39.35 2q8a s PHE 165 CO 0.02 -0.54 0.95 -0.35 -0.10 0.00 0.00 175.22 175.20 2q8a n PRO 166 N 5.62 1.18 -2.10 0.24 -0.04 -1.26 -3.40 135.00 135.24 2q8a n PRO 166 Ca -0.07 0.43 -0.39 0.00 -0.04 0.00 0.00 63.50 63.44 2q8a n PRO 166 Cb 0.49 -2.03 -0.00 0.00 -0.04 0.00 0.00 33.50 31.91 2q8a n PRO 166 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2q8a s ALA 167 N -1.36 3.16 -0.05 0.55 0.00 -1.26 -4.82 121.76 117.98 2q8a s ALA 167 Ca 0.66 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.82 2q8a s ALA 167 Cb -0.52 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 2q8a s ALA 167 CO 0.55 -0.80 -0.15 -0.51 0.00 0.00 0.00 175.76 174.84 2q8a s LEU 168 N -2.62 2.69 -0.93 0.00 1.43 -0.29 -4.91 118.68 114.05 2q8a s LEU 168 Ca 0.59 -0.21 -0.24 0.00 -1.03 0.00 0.00 54.13 53.24 2q8a s LEU 168 Cb -0.36 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.35 2q8a s LEU 168 CO 0.45 0.34 1.54 -0.22 0.23 0.00 0.00 176.35 178.70 2q8a s LEU 169 N -0.71 3.37 -1.39 1.79 2.96 -1.26 -0.79 118.68 122.65 2q8a s LEU 169 Ca 0.11 -1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 52.83 2q8a s LEU 169 Cb -0.11 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 2q8a s LEU 169 CO 0.00 -1.85 2.31 0.00 -1.32 0.00 0.00 176.35 175.49 2q8a n GLN 170 N 8.97 2.80 -2.83 1.98 10.64 0.30 -4.58 117.38 134.66 2q8a n GLN 170 Ca 0.29 -2.42 -0.06 0.00 -1.83 0.00 0.00 57.00 52.98 2q8a n GLN 170 Cb 0.50 -3.15 0.01 0.00 -0.86 0.00 0.00 30.24 26.74 2q8a n GLN 170 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2q8a n SER 171 N 5.82 -7.90 0.00 2.61 7.64 -1.26 -3.84 113.62 116.68 2q8a n SER 171 Ca 0.56 0.83 0.00 0.00 1.01 0.00 0.00 58.87 61.26 2q8a n SER 171 Cb 0.36 -5.20 0.00 0.00 -1.01 0.00 0.00 64.21 58.36 2q8a n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2q8a n GLY 172 N 0.08 1.49 3.65 0.23 0.00 -1.26 -4.95 105.19 104.43 2q8a n GLY 172 Ca 0.07 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2q8a n GLY 172 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q8a s LEU 173 N 0.00 3.18 0.10 0.99 1.98 -1.25 -4.93 118.68 118.75 2q8a s LEU 173 Ca 0.00 -0.70 -0.02 0.00 -2.89 0.00 0.00 54.13 50.52 2q8a s LEU 173 Cb 0.00 -1.68 -0.05 0.00 0.66 0.00 0.00 46.19 45.12 2q8a s LEU 173 CO 0.00 -0.06 0.29 -0.31 -1.89 0.00 0.00 176.35 174.38 2q8a s TYR 174 N -2.36 3.50 -0.07 5.38 2.02 0.18 0.11 117.35 126.11 2q8a s TYR 174 Ca 0.32 0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 57.42 2q8a s TYR 174 Cb -0.05 -1.88 0.03 0.00 -0.40 0.00 0.00 41.96 39.65 2q8a s TYR 174 CO 0.20 0.52 -0.00 0.99 -1.57 0.00 0.00 175.55 175.68 2q8a s THR 175 N -1.57 0.42 0.38 -0.71 2.01 0.03 -1.06 115.64 115.14 2q8a s THR 175 Ca 0.38 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.52 2q8a s THR 175 Cb -0.13 -0.57 -0.07 0.00 0.01 0.00 0.00 72.50 71.75 2q8a s THR 175 CO 0.26 0.27 0.03 0.00 -0.69 0.00 0.00 174.62 174.49 2q8a s MET 176 N 1.92 1.85 0.05 4.92 0.23 -0.56 -1.14 119.30 126.56 2q8a s MET 176 Ca 0.04 -2.06 -0.11 0.00 -1.03 0.00 0.00 55.69 52.54 2q8a s MET 176 Cb -0.12 -1.28 0.01 0.00 -1.53 0.00 0.00 34.83 31.91 2q8a s MET 176 CO -0.05 -0.15 0.23 -1.54 -2.03 0.00 0.00 175.02 171.49 2q8a s SER 177 N -3.63 -0.01 -0.02 -1.18 1.04 -1.22 -1.21 113.70 107.47 2q8a s SER 177 Ca 0.33 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2q8a s SER 177 Cb 0.09 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.55 2q8a s SER 177 CO 0.16 -0.60 0.02 -0.55 0.98 0.00 0.00 173.24 173.24 2q8a s SER 178 N -2.19 0.07 0.09 7.02 0.15 -0.98 -1.05 113.70 116.80 2q8a s SER 178 Ca -0.04 0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.73 2q8a s SER 178 Cb -0.00 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 2q8a s SER 178 CO -0.05 -0.10 -0.22 -0.94 1.20 0.00 0.00 173.24 173.13 2q8a s SER 179 N 0.80 3.56 -0.02 5.45 1.04 0.25 -1.46 113.70 123.33 2q8a s SER 179 Ca -0.07 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.79 2q8a s SER 179 Cb -0.10 -0.41 -0.00 0.00 0.10 0.00 0.00 66.02 65.61 2q8a s SER 179 CO -0.02 0.21 -0.10 0.54 0.98 0.00 0.00 173.24 174.85 2q8a s VAL 180 N -1.01 0.84 -0.17 5.02 0.11 -0.48 -0.31 120.40 124.40 2q8a s VAL 180 Ca 0.15 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 58.77 2q8a s VAL 180 Cb -0.10 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2q8a s VAL 180 CO 0.06 0.25 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.10 2q8a s THR 181 N 0.04 3.18 0.16 5.04 2.01 -1.06 -0.14 115.64 124.87 2q8a s THR 181 Ca -0.01 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.46 2q8a s THR 181 Cb -0.07 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2q8a s THR 181 CO 0.00 0.49 -0.13 0.68 -0.69 0.00 0.00 174.62 174.97 2q8a s VAL 182 N 0.81 1.43 0.19 3.82 -7.23 -0.59 -4.82 120.40 114.01 2q8a s VAL 182 Ca -0.03 -2.00 -0.33 0.00 -1.81 0.00 0.00 61.98 57.81 2q8a s VAL 182 Cb -0.15 -1.82 -0.14 0.00 0.56 0.00 0.00 36.38 34.83 2q8a s VAL 182 CO 0.01 -0.58 1.41 -2.65 -0.31 0.00 0.00 175.10 172.98 2q8a n PRO 183 N -0.02 1.82 0.00 4.82 -0.02 -1.26 -1.79 135.00 138.55 2q8a n PRO 183 Ca -0.11 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 2q8a n PRO 183 Cb 0.59 -2.32 0.30 0.00 -0.02 0.00 0.00 33.50 32.06 2q8a n PRO 183 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2q8a n SER 184 N 2.56 0.00 0.04 2.55 3.41 -0.99 -0.39 113.62 120.81 2q8a n SER 184 Ca 0.15 -0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.60 2q8a n SER 184 Cb 0.28 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 2q8a n SER 184 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2q8a n SER 185 N -1.03 0.54 0.10 4.04 3.41 -1.26 -4.15 113.62 115.26 2q8a n SER 185 Ca 0.07 0.02 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 2q8a n SER 185 Cb 0.04 0.99 0.25 0.00 -0.26 0.00 0.00 64.21 65.23 2q8a n SER 185 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2q8a h THR 186 N 0.00 0.00 -3.64 6.66 1.35 -1.07 -3.43 112.91 112.78 2q8a h THR 186 Ca 0.00 -0.57 -0.20 0.00 -0.55 0.00 0.00 66.41 65.08 2q8a h THR 186 Cb 0.89 1.35 -0.26 0.00 -1.73 0.00 0.00 68.15 68.40 2q8a h THR 186 CO 0.00 0.00 -0.65 0.86 -0.25 0.00 0.00 175.52 175.48 2q8a s TRP 187 N -3.16 -0.01 -1.94 4.73 -0.00 -1.21 -2.51 118.94 114.84 2q8a s TRP 187 Ca 0.08 0.04 0.08 0.00 -0.00 0.00 0.00 56.10 56.29 2q8a s TRP 187 Cb 0.12 -0.01 0.23 0.00 -0.00 0.00 0.00 33.47 33.81 2q8a s TRP 187 CO 0.67 -0.07 1.18 -0.35 -0.00 0.00 0.00 176.95 178.38 2q8a n PRO 188 N 2.73 1.63 0.28 5.86 -0.05 -1.26 -4.72 135.00 139.47 2q8a n PRO 188 Ca -0.15 -0.93 0.14 0.00 -0.05 0.00 0.00 63.50 62.51 2q8a n PRO 188 Cb 0.59 -1.23 0.82 0.00 -0.05 0.00 0.00 33.50 33.63 2q8a n PRO 188 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2q8a h SER 189 N 1.50 0.00 -4.25 3.54 4.64 -1.83 -3.42 113.55 113.72 2q8a h SER 189 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2q8a h SER 189 Cb 0.38 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.17 2q8a h SER 189 CO 0.01 0.07 -0.84 -1.10 -0.87 0.00 0.00 176.83 174.10 2q8a s GLN 190 N -4.31 1.56 -0.28 4.77 -0.21 -1.04 -5.10 119.66 115.05 2q8a s GLN 190 Ca -0.03 -0.65 -0.28 0.00 0.02 0.00 0.00 55.36 54.41 2q8a s GLN 190 Cb 0.14 -1.47 -0.03 0.00 1.00 0.00 0.00 33.01 32.65 2q8a s GLN 190 CO 0.56 0.36 1.88 0.99 -2.12 0.00 0.00 175.29 176.96 2q8a s THR 191 N -0.33 3.38 -0.17 -0.19 2.01 -1.26 -4.67 115.64 114.41 2q8a s THR 191 Ca 0.05 0.39 -0.11 0.00 0.31 0.00 0.00 61.69 62.33 2q8a s THR 191 Cb -0.08 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 2q8a s THR 191 CO -0.00 -0.30 0.19 0.68 -0.69 0.00 0.00 174.62 174.51 2q8a s VAL 192 N 6.97 5.38 -0.03 3.82 -7.23 -1.26 -4.99 120.40 123.05 2q8a s VAL 192 Ca 0.84 0.33 0.01 0.00 -1.81 0.00 0.00 61.98 61.36 2q8a s VAL 192 Cb -0.26 -3.52 0.02 0.00 0.56 0.00 0.00 36.38 33.18 2q8a s VAL 192 CO 0.34 0.45 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.65 2q8a s THR 193 N 0.14 0.49 -0.18 5.32 2.01 -1.04 -4.69 115.64 117.70 2q8a s THR 193 Ca 0.12 -0.14 -0.09 0.00 0.31 0.00 0.00 61.69 61.90 2q8a s THR 193 Cb -0.12 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 2q8a s THR 193 CO 0.01 0.20 0.11 0.00 -0.69 0.00 0.00 174.62 174.25 2q8a s SER 195 N 0.14 5.33 -0.37 0.00 0.15 0.43 -2.07 113.70 117.31 2q8a s SER 195 Ca 0.08 -0.92 -0.16 0.00 0.70 0.00 0.00 55.95 55.65 2q8a s SER 195 Cb -0.11 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2q8a s SER 195 CO -0.01 -0.28 0.37 -0.69 1.20 0.00 0.00 173.24 173.83 2q8a s VAL 196 N 1.48 5.17 -0.18 4.45 1.01 -1.07 -1.20 120.40 130.05 2q8a s VAL 196 Ca 0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 2q8a s VAL 196 Cb -0.18 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2q8a s VAL 196 CO 0.04 -0.21 0.13 0.00 0.00 0.00 0.00 175.10 175.05 2q8a s ALA 197 N 1.99 3.73 -0.40 5.51 0.00 -0.14 -2.26 121.76 130.19 2q8a s ALA 197 Ca 0.10 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2q8a s ALA 197 Cb -0.17 -2.12 0.14 0.00 0.00 0.00 0.00 23.12 20.96 2q8a s ALA 197 CO 0.12 0.27 0.23 -1.58 0.00 0.00 0.00 175.76 174.80 2q8a s HIS 198 N 0.03 1.40 0.25 0.00 2.46 0.51 -1.12 115.29 118.82 2q8a s HIS 198 Ca 0.10 -2.07 -0.03 0.00 0.47 0.00 0.00 55.06 53.53 2q8a s HIS 198 Cb -0.11 -1.42 0.45 0.00 -0.13 0.00 0.00 32.58 31.36 2q8a s HIS 198 CO -0.00 -0.80 1.79 -1.35 -2.47 0.00 0.00 174.74 171.90 2q8a h PRO 199 N 6.80 0.71 -0.71 2.88 0.11 -1.80 -1.84 132.00 138.15 2q8a h PRO 199 Ca 0.03 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.21 2q8a h PRO 199 Cb 0.94 -0.16 -0.08 0.00 0.11 0.00 0.00 31.00 31.82 2q8a h PRO 199 CO 0.38 0.47 0.32 0.00 -0.21 0.00 0.00 178.00 178.96 2q8a h ALA 200 N 1.50 0.97 -0.14 -0.75 0.00 -1.92 -0.99 119.26 117.92 2q8a h ALA 200 Ca 0.42 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2q8a h ALA 200 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2q8a h ALA 200 CO -0.29 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 177.72 2q8a n SER 201 N -4.92 2.64 -3.67 0.00 3.41 -1.13 -4.98 113.62 104.99 2q8a n SER 201 Ca 0.12 -1.86 -0.23 0.00 -0.26 0.00 0.00 58.87 56.64 2q8a n SER 201 Cb 0.31 -0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.23 2q8a n SER 201 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2q8a n SER 202 N 1.02 -2.89 -4.18 4.04 7.64 -0.38 -4.93 113.62 113.94 2q8a n SER 202 Ca 0.17 -0.72 -0.28 0.00 1.01 0.00 0.00 58.87 59.04 2q8a n SER 202 Cb 0.52 -4.41 -0.16 0.00 -1.01 0.00 0.00 64.21 59.14 2q8a n SER 202 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2q8a s THR 203 N -3.47 1.65 -0.24 0.44 -4.23 -0.82 -5.02 115.64 103.95 2q8a s THR 203 Ca 0.23 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.86 2q8a s THR 203 Cb -0.11 -1.41 0.08 0.00 1.34 0.00 0.00 72.50 72.41 2q8a s THR 203 CO 0.78 0.47 0.11 -0.89 -0.54 0.00 0.00 174.62 174.55 2q8a s THR 204 N -0.02 -0.06 -0.10 3.99 2.01 -1.26 -0.36 115.64 119.83 2q8a s THR 204 Ca -0.04 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.49 2q8a s THR 204 Cb -0.12 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.58 2q8a s THR 204 CO 0.03 -0.52 -0.23 0.68 -0.69 0.00 0.00 174.62 173.89 2q8a s VAL 205 N 2.11 1.97 -0.24 3.82 -7.23 -0.96 -4.95 120.40 114.93 2q8a s VAL 205 Ca 0.06 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 59.15 2q8a s VAL 205 Cb -0.16 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 2q8a s VAL 205 CO -0.24 0.54 0.22 -1.81 -0.31 0.00 0.00 175.10 173.50 2q8a s ASP 206 N 0.45 6.18 -0.18 4.85 -0.00 -1.26 -2.61 116.67 124.09 2q8a s ASP 206 Ca -0.17 0.19 -0.08 0.00 -0.00 0.00 0.00 52.55 52.49 2q8a s ASP 206 Cb -0.17 -2.14 -0.04 0.00 -0.00 0.00 0.00 42.92 40.56 2q8a s ASP 206 CO 0.07 0.01 0.10 -1.59 -0.00 0.00 0.00 175.17 173.76 2q8a s LYS 207 N 1.24 4.02 0.00 8.23 0.00 -0.88 -4.99 119.74 127.35 2q8a s LYS 207 Ca 0.10 -0.27 0.24 0.00 0.00 0.00 0.00 55.97 56.03 2q8a s LYS 207 Cb -0.14 -3.30 1.41 0.00 0.00 0.00 0.00 37.83 35.80 2q8a s LYS 207 CO 0.06 0.33 1.77 1.17 0.00 0.00 0.00 175.35 178.69