#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qia s ILE 2 N 0.00 5.31 0.42 1.12 1.01 -1.26 -1.19 121.20 126.61 2qia s ILE 2 Ca 0.00 0.21 -0.26 0.00 0.00 0.00 0.00 60.65 60.60 2qia s ILE 2 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 2qia s ILE 2 CO 0.00 0.26 1.40 -0.67 0.00 0.00 0.00 174.94 175.94 2qia n ASP 3 N 4.90 3.24 0.21 3.58 2.03 -0.16 -4.88 116.55 125.46 2qia n ASP 3 Ca -0.14 1.15 0.16 0.00 0.52 0.00 0.00 54.79 56.49 2qia n ASP 3 Cb 0.52 -1.58 0.82 0.00 -0.72 0.00 0.00 41.12 40.16 2qia n ASP 3 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2qia h LYS 4 N 2.44 0.00 -0.02 -0.67 1.57 -1.93 -1.44 116.57 116.52 2qia h LYS 4 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2qia h LYS 4 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2qia h LYS 4 CO 0.62 0.00 -0.21 -1.13 -0.57 0.00 0.00 179.45 178.15 2qia n SER 5 N -3.90 1.78 -4.78 0.86 3.41 -1.26 -4.92 113.62 104.82 2qia n SER 5 Ca 0.01 -1.41 -0.38 0.00 -0.26 0.00 0.00 58.87 56.84 2qia n SER 5 Cb 0.29 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 2qia n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qia s ALA 6 N -2.29 3.20 -0.19 7.33 0.00 -0.55 -3.32 121.76 125.95 2qia s ALA 6 Ca 0.26 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 2qia s ALA 6 Cb 0.19 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 2qia s ALA 6 CO 0.45 -0.04 0.17 0.12 0.00 0.00 0.00 175.76 176.46 2qia s PHE 7 N -1.52 3.42 -0.19 0.00 5.36 0.22 -4.94 117.98 120.32 2qia s PHE 7 Ca 0.52 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.88 2qia s PHE 7 Cb -0.23 -2.21 0.04 0.00 -0.34 0.00 0.00 43.02 40.29 2qia s PHE 7 CO 0.29 0.27 -0.08 0.08 -1.46 0.00 0.00 175.22 174.32 2qia s VAL 8 N 0.42 1.42 0.36 3.12 1.01 -1.26 -0.17 120.40 125.30 2qia s VAL 8 Ca 0.10 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 2qia s VAL 8 Cb -0.12 -1.55 -0.11 0.00 0.00 0.00 0.00 36.38 34.60 2qia s VAL 8 CO -0.00 0.13 1.53 1.57 0.00 0.00 0.00 175.10 178.33 2qia n HIS 9 N 4.76 3.00 -0.01 5.22 -0.00 0.01 -4.87 115.22 123.33 2qia n HIS 9 Ca -0.13 0.39 0.23 0.00 0.46 0.00 0.00 57.72 58.66 2qia n HIS 9 Cb 0.47 -2.56 0.72 0.00 -0.12 0.00 0.00 29.99 28.50 2qia n HIS 9 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2qia h PRO 10 N 3.48 0.00 0.00 1.57 0.11 -1.94 -0.36 132.00 134.86 2qia h PRO 10 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qia h PRO 10 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qia h PRO 10 CO 0.68 0.00 -0.63 1.79 -0.21 0.00 0.00 178.00 179.64 2qia h THR 11 N 0.00 0.00 -4.08 -1.15 1.35 -1.92 -3.47 112.91 103.65 2qia h THR 11 Ca 0.28 -0.53 -0.50 0.00 -0.55 0.00 0.00 66.41 65.11 2qia h THR 11 Cb 1.30 1.12 0.07 0.00 -1.73 0.00 0.00 68.15 68.91 2qia h THR 11 CO -0.00 0.00 0.44 0.00 -0.25 0.00 0.00 175.52 175.70 2qia s ALA 12 N -3.18 2.72 -0.36 6.62 0.00 -0.15 -3.91 121.76 123.52 2qia s ALA 12 Ca 0.06 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.87 2qia s ALA 12 Cb 0.13 -3.36 0.10 0.00 0.00 0.00 0.00 23.12 19.99 2qia s ALA 12 CO 0.72 -0.75 0.09 0.42 0.00 0.00 0.00 175.76 176.24 2qia s ILE 13 N -1.76 2.55 -0.33 0.00 1.01 0.41 -4.90 121.20 118.18 2qia s ILE 13 Ca 0.72 -2.25 -0.09 0.00 0.00 0.00 0.00 60.65 59.02 2qia s ILE 13 Cb -0.24 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.40 2qia s ILE 13 CO 0.27 -0.61 0.16 -0.69 0.00 0.00 0.00 174.94 174.07 2qia s VAL 14 N 0.97 4.48 0.29 2.92 1.01 -1.26 -0.86 120.40 127.96 2qia s VAL 14 Ca 0.10 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 2qia s VAL 14 Cb -0.20 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 2qia s VAL 14 CO -0.07 -0.02 1.12 -1.61 0.00 0.00 0.00 175.10 174.53 2qia s GLU 15 N 1.58 4.57 0.12 2.72 0.41 -0.18 -4.95 118.70 122.97 2qia s GLU 15 Ca 0.03 1.84 -0.35 0.00 -0.41 0.00 0.00 54.97 56.09 2qia s GLU 15 Cb -0.18 -3.13 -0.14 0.00 -1.78 0.00 0.00 34.13 28.90 2qia s GLU 15 CO 0.06 0.14 1.56 -1.91 -0.49 0.00 0.00 175.26 174.62 2qia n GLU 16 N 1.06 1.95 0.00 1.61 4.07 -1.26 -1.82 120.64 126.26 2qia n GLU 16 Ca -0.01 0.71 0.00 0.00 -0.06 0.00 0.00 57.16 57.80 2qia n GLU 16 Cb 0.45 -2.46 0.00 0.00 -0.06 0.00 0.00 31.44 29.37 2qia n GLU 16 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qia n GLY 17 N 3.34 1.17 3.73 8.31 0.00 -1.26 -4.62 105.19 115.86 2qia n GLY 17 Ca 0.18 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2qia n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qia n ALA 18 N 0.00 1.74 -3.11 4.61 0.00 -0.75 -4.38 120.51 118.63 2qia n ALA 18 Ca 0.00 0.33 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 2qia n ALA 18 Cb 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 19.45 17.00 2qia n ALA 18 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2qia s SER 19 N -0.28 4.88 -0.13 0.00 0.01 -0.19 -1.56 113.70 116.42 2qia s SER 19 Ca 0.56 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.62 2qia s SER 19 Cb -0.52 -1.84 0.02 0.00 0.21 0.00 0.00 66.02 63.89 2qia s SER 19 CO 0.62 0.05 -0.13 -0.63 0.41 0.00 0.00 173.24 173.56 2qia s ILE 20 N 1.12 1.43 0.95 1.44 1.01 -0.33 -0.18 121.20 126.63 2qia s ILE 20 Ca 0.03 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 2qia s ILE 20 Cb -0.14 -1.35 0.18 0.00 0.01 0.00 0.00 42.46 41.15 2qia s ILE 20 CO 0.02 0.43 1.26 -0.83 0.00 0.00 0.00 174.94 175.82 2qia s GLY 21 N 1.39 1.70 0.33 6.18 0.00 0.51 -0.99 107.32 116.45 2qia s GLY 21 Ca 0.02 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.45 2qia s GLY 21 CO -0.08 -0.30 1.43 0.00 0.00 0.00 0.00 173.10 174.16 2qia n ALA 22 N -3.76 1.89 -1.45 3.20 0.00 -1.26 -2.59 120.51 116.55 2qia n ALA 22 Ca 0.13 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.77 2qia n ALA 22 Cb 0.60 -2.36 -0.07 0.00 0.00 0.00 0.00 19.45 17.62 2qia n ALA 22 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qia n ASN 23 N 1.11 -4.43 -4.80 0.00 3.02 -1.21 -0.72 115.26 108.23 2qia n ASN 23 Ca 0.05 0.39 -0.31 0.00 -0.03 0.00 0.00 54.58 54.68 2qia n ASN 23 Cb 0.37 -3.93 0.06 0.00 -0.61 0.00 0.00 39.78 35.67 2qia n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qia s ALA 24 N -2.32 2.51 -0.14 5.41 0.00 -1.07 -3.75 121.76 122.40 2qia s ALA 24 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 2qia s ALA 24 Cb 0.00 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.94 2qia s ALA 24 CO 0.00 -1.40 0.03 -1.58 0.00 0.00 0.00 175.76 172.82 2qia s HIS 25 N -2.89 0.72 -0.39 0.00 2.46 -0.27 -0.61 115.29 114.31 2qia s HIS 25 Ca 0.60 -0.48 -0.12 0.00 0.47 0.00 0.00 55.06 55.53 2qia s HIS 25 Cb -0.16 -0.87 0.03 0.00 -0.13 0.00 0.00 32.58 31.45 2qia s HIS 25 CO 0.53 -0.48 0.24 0.42 -2.47 0.00 0.00 174.74 172.98 2qia s ILE 26 N 1.96 4.79 1.04 0.89 -1.09 0.76 -0.66 121.20 128.89 2qia s ILE 26 Ca 0.02 -0.81 -0.17 0.00 -2.23 0.00 0.00 60.65 57.46 2qia s ILE 26 Cb -0.15 -3.68 0.23 0.00 -1.58 0.00 0.00 42.46 37.28 2qia s ILE 26 CO -0.07 -0.27 1.25 -0.83 -1.23 0.00 0.00 174.94 173.80 2qia s GLY 27 N 1.59 1.72 0.35 6.18 0.00 0.58 -0.81 107.32 116.93 2qia s GLY 27 Ca 0.03 -1.13 -0.28 0.00 0.00 0.00 0.00 44.72 43.35 2qia s GLY 27 CO 0.08 -0.31 1.30 -1.05 0.00 0.00 0.00 173.10 173.12 2qia n PRO 28 N -4.10 2.16 -1.60 2.90 -0.02 -1.26 -3.06 135.00 130.02 2qia n PRO 28 Ca 0.15 0.76 -0.20 0.00 -2.02 0.00 0.00 63.50 62.18 2qia n PRO 28 Cb 0.59 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 2qia n PRO 28 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2qia n PHE 29 N 0.32 -0.02 -2.59 6.00 3.72 -1.25 -1.13 117.46 122.50 2qia n PHE 29 Ca 0.04 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.12 2qia n PHE 29 Cb 0.36 -3.37 -0.05 0.00 -0.94 0.00 0.00 39.48 35.49 2qia n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qia s ILE 31 N -2.40 1.48 -0.15 0.00 1.01 0.15 -0.44 121.20 120.84 2qia s ILE 31 Ca 0.61 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.62 2qia s ILE 31 Cb -0.10 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 41.06 2qia s ILE 31 CO 0.22 0.44 -0.11 -0.69 0.00 0.00 0.00 174.94 174.80 2qia s VAL 32 N 0.90 1.44 0.92 2.92 1.01 -0.04 -0.68 120.40 126.88 2qia s VAL 32 Ca -0.09 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 2qia s VAL 32 Cb -0.15 -1.43 0.14 0.00 0.00 0.00 0.00 36.38 34.94 2qia s VAL 32 CO -0.00 0.35 1.11 -0.83 0.00 0.00 0.00 175.10 175.73 2qia s GLY 33 N 1.52 1.59 0.17 4.51 0.00 0.37 -1.01 107.32 114.47 2qia s GLY 33 Ca 0.03 -0.34 0.22 0.00 0.00 0.00 0.00 44.72 44.64 2qia s GLY 33 CO -0.09 0.21 1.68 -1.55 0.00 0.00 0.00 173.10 173.34 2qia n PRO 34 N -3.88 0.15 -0.46 2.90 -0.04 -1.26 -2.73 135.00 129.68 2qia n PRO 34 Ca 0.06 0.32 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 2qia n PRO 34 Cb 0.57 -1.75 0.26 0.00 -0.04 0.00 0.00 33.50 32.55 2qia n PRO 34 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2qia n HIS 35 N -2.03 1.02 -3.60 0.54 8.25 -1.26 -2.92 115.22 115.23 2qia n HIS 35 Ca 0.03 -0.76 -0.37 0.00 -0.26 0.00 0.00 57.72 56.37 2qia n HIS 35 Cb 0.26 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.04 2qia n HIS 35 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qia s VAL 36 N -2.34 5.23 -0.15 1.59 1.01 -1.10 -2.54 120.40 122.09 2qia s VAL 36 Ca 0.41 0.61 0.01 0.00 0.00 0.00 0.00 61.98 63.00 2qia s VAL 36 Cb 0.30 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2qia s VAL 36 CO 0.13 0.53 -0.18 -1.61 0.00 0.00 0.00 175.10 173.97 2qia s GLU 37 N -0.58 3.15 -0.17 2.72 2.02 0.20 -1.03 118.70 125.01 2qia s GLU 37 Ca 0.20 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.41 2qia s GLU 37 Cb -0.14 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.54 2qia s GLU 37 CO 0.08 0.01 -0.18 0.42 0.02 0.00 0.00 175.26 175.61 2qia s ILE 38 N 0.81 2.28 0.81 -1.63 1.01 0.74 -0.18 121.20 125.03 2qia s ILE 38 Ca -0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 2qia s ILE 38 Cb -0.15 -1.95 0.08 0.00 0.01 0.00 0.00 42.46 40.44 2qia s ILE 38 CO -0.01 0.53 1.11 -0.83 0.00 0.00 0.00 174.94 175.74 2qia s GLY 39 N 1.10 1.61 -0.02 6.18 0.00 0.25 -0.36 107.32 116.08 2qia s GLY 39 Ca 0.00 -0.33 -0.38 0.00 0.00 0.00 0.00 44.72 44.01 2qia s GLY 39 CO -0.07 0.12 1.45 -2.21 0.00 0.00 0.00 173.10 172.39 2qia n GLU 40 N -3.42 1.11 -0.82 2.90 2.13 -1.26 -2.23 120.64 119.04 2qia n GLU 40 Ca 0.07 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2qia n GLU 40 Cb 0.57 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.23 2qia n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qia n GLY 41 N 2.97 1.11 3.76 8.31 0.00 0.10 -1.45 105.19 119.99 2qia n GLY 41 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2qia n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qia s THR 42 N -3.54 3.07 -0.12 2.61 2.01 -0.95 -4.17 115.64 114.55 2qia s THR 42 Ca 0.00 1.08 0.03 0.00 0.31 0.00 0.00 61.69 63.11 2qia s THR 42 Cb 0.00 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.83 2qia s THR 42 CO 0.00 0.26 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.27 2qia s VAL 43 N -1.13 2.09 -0.35 3.82 1.01 0.20 -1.11 120.40 124.92 2qia s VAL 43 Ca 0.47 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 2qia s VAL 43 Cb -0.36 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.24 2qia s VAL 43 CO 0.47 0.55 0.15 -0.76 0.00 0.00 0.00 175.10 175.52 2qia s LEU 44 N 0.61 4.49 0.07 3.92 1.02 0.16 -0.54 118.68 128.41 2qia s LEU 44 Ca -0.12 -1.05 -0.36 0.00 0.02 0.00 0.00 54.13 52.61 2qia s LEU 44 Cb -0.17 -1.94 -0.19 0.00 0.02 0.00 0.00 46.19 43.91 2qia s LEU 44 CO 0.03 -0.35 1.58 0.11 0.02 0.00 0.00 176.35 177.74 2qia h LYS 45 N 8.32 -1.14 -1.58 1.70 1.79 -1.42 0.17 116.57 124.42 2qia h LYS 45 Ca -0.25 0.08 0.24 0.00 -2.18 0.00 0.00 60.65 58.54 2qia h LYS 45 Cb 1.09 0.26 -0.18 0.00 -1.58 0.00 0.00 32.23 31.83 2qia h LYS 45 CO 0.63 -0.76 0.77 -1.54 -1.08 0.00 0.00 179.45 177.48 2qia s SER 46 N -4.17 -0.16 -1.64 0.86 1.04 -1.26 -3.99 113.70 104.38 2qia s SER 46 Ca -0.19 -0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.06 2qia s SER 46 Cb 0.03 0.18 0.13 0.00 0.10 0.00 0.00 66.02 66.46 2qia s SER 46 CO 0.61 -0.29 0.84 1.41 0.98 0.00 0.00 173.24 176.78 2qia n HIS 47 N -0.15 -1.91 -4.18 5.02 8.25 -0.28 -3.57 115.22 118.40 2qia n HIS 47 Ca -0.01 0.83 -0.35 0.00 -0.26 0.00 0.00 57.72 57.93 2qia n HIS 47 Cb 0.59 -3.29 -0.09 0.00 1.12 0.00 0.00 29.99 28.32 2qia n HIS 47 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qia s VAL 48 N -3.31 4.63 -0.26 1.59 1.01 -1.26 -0.55 120.40 122.24 2qia s VAL 48 Ca 0.69 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 2qia s VAL 48 Cb -0.37 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 2qia s VAL 48 CO 0.90 0.55 0.04 -0.69 0.00 0.00 0.00 175.10 175.90 2qia s VAL 49 N -0.38 3.92 -0.16 2.92 1.01 -0.84 -0.67 120.40 126.20 2qia s VAL 49 Ca 0.09 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2qia s VAL 49 Cb -0.12 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2qia s VAL 49 CO 0.02 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.51 2qia s VAL 50 N 1.53 1.79 0.00 2.92 1.01 0.15 -0.73 120.40 127.07 2qia s VAL 50 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2qia s VAL 50 Cb -0.16 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2qia s VAL 50 CO 0.01 0.50 0.00 -0.46 0.00 0.00 0.00 175.10 175.15 2qia n ASN 51 N 4.59 0.00 -0.53 3.32 0.23 -0.64 -0.48 115.26 121.75 2qia n ASN 51 Ca -0.19 -0.97 0.01 0.00 -0.53 0.00 0.00 54.58 52.90 2qia n ASN 51 Cb 0.50 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.20 2qia n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qia n GLY 52 N 0.00 -1.55 3.47 4.83 0.00 -1.26 -4.25 105.19 106.44 2qia n GLY 52 Ca 0.00 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 2qia n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qia s HIS 53 N -0.14 2.91 -0.08 1.61 3.76 -1.25 -3.95 115.29 118.15 2qia s HIS 53 Ca 0.00 -1.11 -0.00 0.00 -0.15 0.00 0.00 55.06 53.80 2qia s HIS 53 Cb 0.00 -4.37 0.02 0.00 1.11 0.00 0.00 32.58 29.34 2qia s HIS 53 CO 0.00 -1.62 -0.05 0.99 -0.85 0.00 0.00 174.74 173.21 2qia s THR 54 N 3.44 0.69 -0.19 1.30 2.01 -1.05 -1.57 115.64 120.28 2qia s THR 54 Ca 0.33 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 2qia s THR 54 Cb -0.06 -0.74 -0.00 0.00 0.01 0.00 0.00 72.50 71.70 2qia s THR 54 CO -0.06 0.29 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.53 2qia s LYS 55 N 1.46 3.30 -0.08 4.92 1.02 -0.30 -0.63 119.74 129.43 2qia s LYS 55 Ca -0.02 -0.68 0.05 0.00 0.02 0.00 0.00 55.97 55.34 2qia s LYS 55 Cb -0.13 -2.81 -0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2qia s LYS 55 CO -0.04 -0.08 -0.24 0.42 -0.92 0.00 0.00 175.35 174.49 2qia s ILE 56 N 1.12 2.00 0.00 2.17 1.01 0.74 -0.22 121.20 128.02 2qia s ILE 56 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.65 2qia s ILE 56 Cb -0.14 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.61 2qia s ILE 56 CO -0.03 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.08 2qia n GLY 57 N 3.28 0.14 3.90 6.18 0.00 0.21 -0.58 105.19 118.33 2qia n GLY 57 Ca -0.18 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 2qia n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qia s ARG 58 N 0.00 3.58 -2.03 1.61 0.52 -1.25 -2.39 118.95 118.99 2qia s ARG 58 Ca 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2qia s ARG 58 Cb 0.00 -2.91 0.00 0.00 0.52 0.00 0.00 34.95 32.56 2qia s ARG 58 CO 0.00 0.51 0.00 -0.25 0.02 0.00 0.00 175.30 175.58 2qia n ASP 59 N 0.24 -5.64 -4.80 0.23 8.00 -0.53 -0.49 116.55 113.56 2qia n ASP 59 Ca -0.04 0.30 -0.34 0.00 0.71 0.00 0.00 54.79 55.42 2qia n ASP 59 Cb 0.52 -4.86 -0.04 0.00 -0.02 0.00 0.00 41.12 36.72 2qia n ASP 59 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2qia s ASN 60 N -2.47 6.45 -0.23 -2.24 0.01 -1.26 -3.76 114.94 111.44 2qia s ASN 60 Ca 0.00 1.91 0.02 0.00 -0.71 0.00 0.00 52.86 54.08 2qia s ASN 60 Cb 0.00 -2.56 0.05 0.00 0.41 0.00 0.00 41.25 39.15 2qia s ASN 60 CO 0.00 -0.71 -0.14 -1.61 -1.51 0.00 0.00 177.10 173.14 2qia s GLU 61 N -3.17 2.43 -0.21 -0.60 2.02 -0.12 -0.63 118.70 118.43 2qia s GLU 61 Ca 0.66 -1.13 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 2qia s GLU 61 Cb -0.16 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.34 2qia s GLU 61 CO 0.19 -0.45 -0.11 0.42 0.02 0.00 0.00 175.26 175.34 2qia s ILE 62 N 1.20 2.80 0.57 -1.63 1.01 0.30 -0.78 121.20 124.66 2qia s ILE 62 Ca -0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 2qia s ILE 62 Cb -0.17 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.06 2qia s ILE 62 CO -0.08 0.45 0.84 -0.31 0.00 0.00 0.00 174.94 175.85 2qia s TYR 63 N 1.39 3.14 0.40 3.97 1.51 0.21 -1.16 117.35 126.81 2qia s TYR 63 Ca 0.05 0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 56.27 2qia s TYR 63 Cb -0.14 -2.70 -0.11 0.00 -0.11 0.00 0.00 41.96 38.90 2qia s TYR 63 CO -0.07 -0.80 1.04 0.00 -1.11 0.00 0.00 175.55 174.61 2qia n GLN 64 N -2.47 1.43 -0.97 -0.62 0.00 -1.23 -2.99 117.38 110.53 2qia n GLN 64 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 57.00 57.56 2qia n GLN 64 Cb 0.58 -2.06 0.00 0.00 0.00 0.00 0.00 30.24 28.77 2qia n GLN 64 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2qia n PHE 65 N -0.34 0.00 -2.62 2.61 3.72 0.29 -2.49 117.46 118.63 2qia n PHE 65 Ca 0.09 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.14 2qia n PHE 65 Cb 0.38 -0.43 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 2qia n PHE 65 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qia s ALA 66 N -2.19 3.04 -0.19 4.37 0.00 -1.16 -3.54 121.76 122.10 2qia s ALA 66 Ca 0.00 0.61 -0.00 0.00 0.00 0.00 0.00 51.96 52.57 2qia s ALA 66 Cb 0.00 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.93 2qia s ALA 66 CO 0.00 -0.13 -0.06 -1.12 0.00 0.00 0.00 175.76 174.44 2qia s SER 67 N -1.77 3.14 -0.16 0.00 0.01 -0.29 -1.99 113.70 112.65 2qia s SER 67 Ca 0.60 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2qia s SER 67 Cb -0.18 -1.03 0.02 0.00 0.21 0.00 0.00 66.02 65.03 2qia s SER 67 CO 0.23 -0.18 -0.18 -0.63 0.41 0.00 0.00 173.24 172.88 2qia s ILE 68 N 1.54 1.88 0.00 1.44 1.01 0.09 -1.42 121.20 125.73 2qia s ILE 68 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2qia s ILE 68 Cb -0.16 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.60 2qia s ILE 68 CO -0.08 0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2qia n GLY 69 N 4.51 0.64 3.72 6.18 0.00 0.49 -1.62 105.19 119.11 2qia n GLY 69 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2qia n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qia s GLU 70 N -0.80 1.98 0.06 1.61 2.56 -1.22 -4.07 118.70 118.83 2qia s GLU 70 Ca 0.00 1.63 -0.38 0.00 0.00 0.00 0.00 54.97 56.22 2qia s GLU 70 Cb 0.00 -1.83 -0.18 0.00 2.00 0.00 0.00 34.13 34.13 2qia s GLU 70 CO 0.00 -1.93 1.27 0.28 -0.56 0.00 0.00 175.26 174.32 2qia n VAL 71 N -3.07 0.01 -1.54 3.70 0.31 -1.26 -1.25 118.33 115.24 2qia n VAL 71 Ca 0.12 -0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.15 2qia n VAL 71 Cb 0.51 -0.61 0.19 0.00 -0.91 0.00 0.00 33.84 33.02 2qia n VAL 71 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qia s ASN 72 N 0.35 2.49 0.00 4.52 2.20 -1.26 -4.79 114.94 118.45 2qia s ASN 72 Ca 0.86 0.58 0.20 0.00 -0.94 0.00 0.00 52.86 53.56 2qia s ASN 72 Cb -1.04 -0.84 0.43 0.00 -2.00 0.00 0.00 41.25 37.80 2qia s ASN 72 CO 0.49 -3.15 1.36 0.00 -2.94 0.00 0.00 177.10 172.87 2qia n GLN 73 N -4.10 2.46 -2.36 3.55 6.02 -1.26 -4.91 117.38 116.77 2qia n GLN 73 Ca 0.12 -2.25 -0.43 0.00 -0.01 0.00 0.00 57.00 54.43 2qia n GLN 73 Cb 0.59 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 30.37 2qia n GLN 73 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2qia s ASP 74 N -1.24 6.90 0.66 1.08 -1.08 -1.26 -4.90 116.67 116.84 2qia s ASP 74 Ca 0.36 1.77 0.41 0.00 -0.52 0.00 0.00 52.55 54.58 2qia s ASP 74 Cb 0.20 -2.54 2.26 0.00 -1.46 0.00 0.00 42.92 41.39 2qia s ASP 74 CO 0.28 -0.79 2.27 -0.07 0.52 0.00 0.00 175.17 177.39 2qia h LEU 75 N 9.80 0.00 -0.84 -1.34 3.38 -2.05 -1.20 115.31 123.06 2qia h LEU 75 Ca -0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 2qia h LEU 75 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2qia h LEU 75 CO 0.97 0.00 -0.33 0.11 0.09 0.00 0.00 178.44 179.28 2qia h LYS 76 N 0.00 0.00 -6.83 1.13 1.57 -1.99 -3.45 116.57 107.00 2qia h LYS 76 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2qia h LYS 76 Cb 0.14 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.53 2qia h LYS 76 CO 0.00 0.33 0.76 -0.47 -0.57 0.00 0.00 179.45 179.50 2qia s TYR 77 N -3.51 2.88 -0.04 -1.35 5.04 -0.45 -4.94 117.35 114.97 2qia s TYR 77 Ca 0.01 1.09 0.05 0.00 -2.44 0.00 0.00 57.07 55.78 2qia s TYR 77 Cb 0.10 -3.88 0.08 0.00 0.35 0.00 0.00 41.96 38.61 2qia s TYR 77 CO 0.68 -2.75 0.94 0.00 -1.34 0.00 0.00 175.55 173.07 2qia n ALA 78 N 1.58 1.87 -0.04 3.97 0.00 -1.26 -4.99 120.51 121.63 2qia n ALA 78 Ca 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.13 2qia n ALA 78 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2qia n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qia n GLY 79 N -0.58 0.98 3.74 0.00 0.00 -1.26 -5.08 105.19 102.98 2qia n GLY 79 Ca 0.05 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2qia n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qia n GLU 80 N -2.04 1.55 -0.94 1.61 4.71 -1.26 -4.84 120.64 119.42 2qia n GLU 80 Ca 0.00 0.58 -0.28 0.00 -0.01 0.00 0.00 57.16 57.44 2qia n GLU 80 Cb 0.00 -2.55 -0.02 0.00 -1.01 0.00 0.00 31.44 27.85 2qia n GLU 80 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2qia n PRO 81 N -1.20 2.45 -1.73 3.49 -0.04 -1.26 -4.91 135.00 131.81 2qia n PRO 81 Ca 0.12 -1.71 -0.30 0.00 -0.04 0.00 0.00 63.50 61.57 2qia n PRO 81 Cb 0.45 -2.60 0.21 0.00 -0.04 0.00 0.00 33.50 31.52 2qia n PRO 81 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2qia s THR 82 N 3.23 1.89 0.12 0.52 -4.23 -1.26 -4.89 115.64 111.02 2qia s THR 82 Ca 0.48 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.03 2qia s THR 82 Cb 0.12 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 2qia s THR 82 CO -0.03 0.00 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.82 2qia s ARG 83 N -5.82 0.95 -0.04 3.99 0.52 0.11 -3.83 118.95 114.84 2qia s ARG 83 Ca 0.74 -1.30 0.04 0.00 -0.52 0.00 0.00 55.73 54.69 2qia s ARG 83 Cb -0.04 -0.59 -0.00 0.00 0.52 0.00 0.00 34.95 34.84 2qia s ARG 83 CO 0.54 0.08 -0.15 0.08 0.02 0.00 0.00 175.30 175.87 2qia s VAL 84 N -2.85 1.27 -0.10 3.52 1.01 -0.61 -1.41 120.40 121.24 2qia s VAL 84 Ca 0.11 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2qia s VAL 84 Cb -0.00 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.29 2qia s VAL 84 CO 0.00 0.37 -0.20 -1.61 0.00 0.00 0.00 175.10 173.67 2qia s GLU 85 N 0.07 2.64 -0.06 2.72 2.02 -0.01 -1.16 118.70 124.92 2qia s GLU 85 Ca -0.03 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.26 2qia s GLU 85 Cb -0.11 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.04 2qia s GLU 85 CO 0.02 0.06 -0.17 0.42 0.02 0.00 0.00 175.26 175.61 2qia s ILE 86 N 0.62 1.46 0.00 -1.63 1.01 0.69 -0.22 121.20 123.14 2qia s ILE 86 Ca -0.13 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2qia s ILE 86 Cb -0.16 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.03 2qia s ILE 86 CO 0.04 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2qia n GLY 87 N 3.46 0.52 3.63 6.18 0.00 -0.14 -0.62 105.19 118.22 2qia n GLY 87 Ca -0.20 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 2qia n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qia s ASP 88 N -1.08 4.62 -1.63 1.61 1.01 -1.24 -2.16 116.67 117.80 2qia s ASP 88 Ca 0.00 -0.37 -0.01 0.00 0.71 0.00 0.00 52.55 52.88 2qia s ASP 88 Cb 0.00 -0.95 0.00 0.00 1.01 0.00 0.00 42.92 42.98 2qia s ASP 88 CO 0.00 0.14 0.14 0.54 0.21 0.00 0.00 175.17 176.20 2qia n ARG 89 N 0.33 -2.46 -2.97 8.23 1.74 0.35 -0.93 116.66 120.95 2qia n ARG 89 Ca -0.11 0.92 -0.33 0.00 -0.77 0.00 0.00 57.85 57.56 2qia n ARG 89 Cb 0.53 -5.63 -0.07 0.00 -1.02 0.00 0.00 32.46 26.28 2qia n ARG 89 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2qia s ASN 90 N -2.20 6.86 -0.34 0.55 0.01 -1.26 -3.56 114.94 115.00 2qia s ASN 90 Ca 0.07 1.49 -0.03 0.00 -0.71 0.00 0.00 52.86 53.68 2qia s ASN 90 Cb -0.03 -2.46 0.06 0.00 0.41 0.00 0.00 41.25 39.23 2qia s ASN 90 CO 0.09 -0.28 0.08 -0.13 -1.51 0.00 0.00 177.10 175.35 2qia s ARG 91 N -3.07 2.35 -0.37 -0.60 0.52 -0.22 -0.94 118.95 116.62 2qia s ARG 91 Ca 0.58 -1.40 -0.05 0.00 -0.52 0.00 0.00 55.73 54.34 2qia s ARG 91 Cb -0.10 -3.36 0.07 0.00 0.52 0.00 0.00 34.95 32.08 2qia s ARG 91 CO 0.15 -0.76 0.14 0.42 0.02 0.00 0.00 175.30 175.27 2qia s ILE 92 N 1.26 3.50 0.86 1.52 1.01 0.04 -0.74 121.20 128.65 2qia s ILE 92 Ca -0.01 -1.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.00 2qia s ILE 92 Cb -0.21 -3.15 0.19 0.00 0.01 0.00 0.00 42.46 39.30 2qia s ILE 92 CO -0.01 -0.39 1.17 0.54 0.00 0.00 0.00 174.94 176.25 2qia n ARG 93 N 4.71 -0.80 -1.64 2.79 5.12 0.07 -0.62 116.66 126.30 2qia n ARG 93 Ca -0.09 -2.26 -0.46 0.00 -1.93 0.00 0.00 57.85 53.11 2qia n ARG 93 Cb 0.43 -1.06 -0.03 0.00 -1.16 0.00 0.00 32.46 30.63 2qia n ARG 93 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2qia n GLU 94 N -3.37 1.77 -0.95 5.56 4.71 -1.26 -2.39 120.64 124.71 2qia n GLU 94 Ca 0.16 0.63 0.00 0.00 -0.01 0.00 0.00 57.16 57.94 2qia n GLU 94 Cb 0.57 -2.26 0.00 0.00 -1.01 0.00 0.00 31.44 28.73 2qia n GLU 94 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2qia n SER 95 N 2.33 -3.74 -4.77 1.62 7.64 -1.04 -1.48 113.62 114.17 2qia n SER 95 Ca 0.14 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 2qia n SER 95 Cb 0.28 -1.96 0.00 0.00 -1.01 0.00 0.00 64.21 61.52 2qia n SER 95 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qia s VAL 96 N -1.64 2.18 -0.10 0.44 1.01 -1.01 -4.01 120.40 117.28 2qia s VAL 96 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.20 2qia s VAL 96 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2qia s VAL 96 CO 0.00 0.04 -0.23 0.42 0.00 0.00 0.00 175.10 175.33 2qia s THR 97 N -1.16 1.99 -0.17 3.92 -4.23 -0.66 -1.14 115.64 114.19 2qia s THR 97 Ca 0.55 -0.98 -0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2qia s THR 97 Cb -0.44 -1.73 0.04 0.00 1.34 0.00 0.00 72.50 71.71 2qia s THR 97 CO 0.59 0.54 -0.06 -0.63 -0.54 0.00 0.00 174.62 174.52 2qia s ILE 98 N 0.39 1.23 0.11 2.99 1.01 -0.51 -0.72 121.20 125.70 2qia s ILE 98 Ca -0.18 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2qia s ILE 98 Cb -0.18 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2qia s ILE 98 CO 0.08 0.13 0.19 -1.00 0.00 0.00 0.00 174.94 174.34 2qia s HIS 99 N 1.58 3.39 0.79 3.97 3.76 -0.44 -0.38 115.29 127.95 2qia s HIS 99 Ca 0.00 0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 54.93 2qia s HIS 99 Cb -0.16 -1.67 0.07 0.00 1.11 0.00 0.00 32.58 31.94 2qia s HIS 99 CO -0.08 0.54 1.11 -0.98 -0.85 0.00 0.00 174.74 174.49 2qia s ARG 100 N -2.79 2.05 0.95 1.40 1.70 -0.38 -4.11 118.95 117.76 2qia s ARG 100 Ca 0.33 1.30 -0.16 0.00 -0.47 0.00 0.00 55.73 56.73 2qia s ARG 100 Cb -0.12 -1.86 0.23 0.00 -0.57 0.00 0.00 34.95 32.63 2qia s ARG 100 CO 0.26 -1.82 0.90 0.41 -1.08 0.00 0.00 175.30 173.97 2qia n GLY 101 N -0.76 -2.51 3.41 3.88 0.00 -1.12 -4.14 105.19 103.95 2qia n GLY 101 Ca 0.10 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 2qia n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qia s THR 102 N -2.69 2.30 0.24 2.61 -4.23 -1.26 -4.71 115.64 107.89 2qia s THR 102 Ca 0.57 -1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 59.04 2qia s THR 102 Cb -0.05 -2.08 0.22 0.00 1.34 0.00 0.00 72.50 71.93 2qia s THR 102 CO 0.43 -0.09 1.88 -0.37 -0.54 0.00 0.00 174.62 175.93 2qia h VAL 103 N 3.33 1.26 -0.54 2.29 -1.51 -1.92 0.38 116.25 119.54 2qia h VAL 103 Ca -0.47 -0.60 0.04 0.00 -1.23 0.00 0.00 66.70 64.44 2qia h VAL 103 Cb 1.20 -0.04 -0.03 0.00 -2.13 0.00 0.00 31.29 30.29 2qia h VAL 103 CO 0.46 0.28 0.36 1.56 -1.23 0.00 0.00 177.57 179.00 2qia h GLN 104 N 1.30 0.59 -0.61 5.19 7.50 -1.97 -2.69 115.11 124.42 2qia h GLN 104 Ca 0.33 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.45 2qia h GLN 104 Cb -0.03 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.37 2qia h GLN 104 CO -0.06 0.39 0.00 0.41 -1.50 0.00 0.00 178.83 178.07 2qia n GLY 105 N -1.47 1.99 0.00 3.46 0.00 -0.92 -4.93 105.19 103.32 2qia n GLY 105 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2qia n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qia n GLY 106 N 1.53 1.26 1.80 -0.02 0.00 -1.01 -4.70 105.19 104.05 2qia n GLY 106 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2qia n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qia n GLY 107 N -1.14 0.77 2.78 -0.02 0.00 0.13 -4.96 105.19 102.76 2qia n GLY 107 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2qia n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qia s LEU 108 N 0.00 1.05 -0.20 0.99 2.96 -1.26 -0.71 118.68 121.50 2qia s LEU 108 Ca 0.00 0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.85 2qia s LEU 108 Cb 0.00 -0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.51 2qia s LEU 108 CO 0.00 -0.13 0.06 -0.89 -1.32 0.00 0.00 176.35 174.07 2qia s THR 109 N 1.13 4.54 -0.04 3.68 2.01 -0.50 -3.94 115.64 122.53 2qia s THR 109 Ca -0.08 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 61.85 2qia s THR 109 Cb -0.13 -3.07 -0.00 0.00 0.01 0.00 0.00 72.50 69.31 2qia s THR 109 CO -0.02 0.42 -0.17 -0.75 -0.69 0.00 0.00 174.62 173.41 2qia s LYS 110 N 0.81 1.69 -0.05 4.92 2.20 -0.08 -0.83 119.74 128.40 2qia s LYS 110 Ca 0.03 -0.59 0.03 0.00 -0.36 0.00 0.00 55.97 55.09 2qia s LYS 110 Cb -0.14 -1.49 0.01 0.00 -1.51 0.00 0.00 37.83 34.70 2qia s LYS 110 CO 0.02 0.24 -0.14 0.08 -0.36 0.00 0.00 175.35 175.19 2qia s VAL 111 N 0.02 1.27 0.00 4.02 1.01 0.70 -0.46 120.40 126.95 2qia s VAL 111 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2qia s VAL 111 Cb -0.11 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2qia s VAL 111 CO 0.02 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2qia n GLY 112 N 3.48 0.88 3.29 4.51 0.00 -0.16 -0.96 105.19 116.23 2qia n GLY 112 Ca -0.20 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 2qia n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qia s SER 113 N -1.00 2.34 -1.73 1.61 0.01 -1.23 -1.53 113.70 112.17 2qia s SER 113 Ca 0.00 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2qia s SER 113 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2qia s SER 113 CO 0.00 -0.10 0.00 0.47 0.41 0.00 0.00 173.24 174.02 2qia n ASP 114 N 0.38 -5.45 -4.87 2.44 8.00 -0.11 -1.28 116.55 115.67 2qia n ASP 114 Ca -0.14 0.10 -0.31 0.00 0.71 0.00 0.00 54.79 55.15 2qia n ASP 114 Cb 0.57 -4.53 -0.05 0.00 -0.02 0.00 0.00 41.12 37.09 2qia n ASP 114 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2qia s ASN 115 N -2.30 6.63 -0.29 -2.24 0.01 -1.26 -3.57 114.94 111.92 2qia s ASN 115 Ca 0.00 1.09 -0.02 0.00 -0.71 0.00 0.00 52.86 53.22 2qia s ASN 115 Cb 0.00 -2.30 0.04 0.00 0.41 0.00 0.00 41.25 39.41 2qia s ASN 115 CO 0.00 -0.23 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.13 2qia s LEU 116 N -3.25 3.70 -0.41 0.60 2.96 -0.07 -1.06 118.68 121.15 2qia s LEU 116 Ca 0.51 -1.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 2qia s LEU 116 Cb -0.11 -1.70 0.07 0.00 0.50 0.00 0.00 46.19 44.96 2qia s LEU 116 CO 0.24 -0.22 0.25 -0.76 -1.32 0.00 0.00 176.35 174.54 2qia s LEU 117 N 1.27 5.09 1.00 -0.68 1.43 0.08 -1.30 118.68 125.58 2qia s LEU 117 Ca -0.04 -1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 51.49 2qia s LEU 117 Cb -0.19 -2.00 0.20 0.00 0.03 0.00 0.00 46.19 44.24 2qia s LEU 117 CO -0.02 -0.51 1.24 -0.04 0.23 0.00 0.00 176.35 177.24 2qia s MET 118 N 1.45 0.34 -0.02 1.70 -1.94 0.47 -0.75 119.30 120.56 2qia s MET 118 Ca 0.03 -0.20 -0.38 0.00 -1.71 0.00 0.00 55.69 53.43 2qia s MET 118 Cb -0.22 -1.79 -0.17 0.00 2.01 0.00 0.00 34.83 34.65 2qia s MET 118 CO 0.03 -2.65 1.39 -0.89 -0.01 0.00 0.00 175.02 172.89 2qia n ILE 119 N -3.98 0.06 -1.81 2.53 5.41 -1.26 -1.49 119.36 118.82 2qia n ILE 119 Ca 0.13 -0.01 -0.21 0.00 1.00 0.00 0.00 62.75 63.66 2qia n ILE 119 Cb 0.60 -0.77 -0.07 0.00 -0.71 0.00 0.00 39.64 38.68 2qia n ILE 119 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2qia n ASN 120 N 2.99 -5.55 -4.76 4.38 5.15 -0.55 -1.04 115.26 115.88 2qia n ASN 120 Ca 0.21 0.38 -0.39 0.00 -0.60 0.00 0.00 54.58 54.17 2qia n ASN 120 Cb 0.15 -4.83 0.03 0.00 -0.53 0.00 0.00 39.78 34.60 2qia n ASN 120 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qia s ALA 121 N -2.82 2.99 -0.12 5.20 0.00 -0.56 -3.93 121.76 122.51 2qia s ALA 121 Ca 0.00 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.29 2qia s ALA 121 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.59 2qia s ALA 121 CO 0.00 -1.21 -0.14 -1.58 0.00 0.00 0.00 175.76 172.83 2qia s HIS 122 N -1.29 1.99 -0.41 0.00 2.46 -0.18 -1.65 115.29 116.20 2qia s HIS 122 Ca 0.67 -1.02 -0.05 0.00 0.47 0.00 0.00 55.06 55.13 2qia s HIS 122 Cb -0.40 -1.47 0.10 0.00 -0.13 0.00 0.00 32.58 30.68 2qia s HIS 122 CO 0.49 -0.56 0.22 0.42 -2.47 0.00 0.00 174.74 172.84 2qia s ILE 123 N 1.26 3.54 1.01 0.89 1.01 0.10 -1.43 121.20 127.57 2qia s ILE 123 Ca -0.01 -1.86 -0.12 0.00 0.00 0.00 0.00 60.65 58.66 2qia s ILE 123 Cb -0.14 -3.33 0.19 0.00 0.01 0.00 0.00 42.46 39.19 2qia s ILE 123 CO -0.06 -0.62 1.10 0.00 0.00 0.00 0.00 174.94 175.35 2qia s ALA 124 N 1.23 0.95 0.26 9.38 0.00 -1.19 -1.33 121.76 131.05 2qia s ALA 124 Ca 0.06 -0.41 -0.28 0.00 0.00 0.00 0.00 51.96 51.33 2qia s ALA 124 Cb -0.23 -3.10 -0.15 0.00 0.00 0.00 0.00 23.12 19.64 2qia s ALA 124 CO -0.02 -2.86 0.87 -2.39 0.00 0.00 0.00 175.76 171.36 2qia n HIS 125 N -4.18 0.77 -1.10 0.00 1.44 -1.26 -2.76 115.22 108.14 2qia n HIS 125 Ca 0.05 0.78 -0.03 0.00 -2.01 0.00 0.00 57.72 56.51 2qia n HIS 125 Cb 0.58 -2.17 -0.01 0.00 0.12 0.00 0.00 29.99 28.50 2qia n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2qia n ASP 126 N 1.46 -4.67 -4.82 4.39 8.00 -1.25 -1.58 116.55 118.07 2qia n ASP 126 Ca 0.12 0.08 -0.33 0.00 0.71 0.00 0.00 54.79 55.37 2qia n ASP 126 Cb 0.30 -2.47 -0.02 0.00 -0.02 0.00 0.00 41.12 38.91 2qia n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qia s THR 128 N -2.37 1.30 -0.17 0.00 2.01 -0.35 -0.90 115.64 115.16 2qia s THR 128 Ca 0.63 -1.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.48 2qia s THR 128 Cb -0.13 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2qia s THR 128 CO 0.28 -0.12 0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 2qia s VAL 129 N 1.50 5.08 0.00 3.82 1.01 0.39 -0.55 120.40 131.65 2qia s VAL 129 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2qia s VAL 129 Cb -0.18 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2qia s VAL 129 CO -0.07 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2qia n GLY 130 N 3.21 0.89 3.51 4.51 0.00 0.23 -0.98 105.19 116.55 2qia n GLY 130 Ca -0.17 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 2qia n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qia s ASN 131 N -1.00 4.03 -1.52 1.61 0.01 -1.26 -2.00 114.94 114.81 2qia s ASN 131 Ca 0.00 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 2qia s ASN 131 Cb 0.00 -0.67 0.00 0.00 0.41 0.00 0.00 41.25 40.99 2qia s ASN 131 CO 0.00 0.21 0.00 0.54 -1.51 0.00 0.00 177.10 176.34 2qia n ARG 132 N 1.06 -1.03 -1.99 -0.60 5.12 -0.40 -0.88 116.66 117.95 2qia n ARG 132 Ca -0.15 0.98 -0.31 0.00 -1.93 0.00 0.00 57.85 56.44 2qia n ARG 132 Cb 0.52 -5.12 0.00 0.00 -1.16 0.00 0.00 32.46 26.70 2qia n ARG 132 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qia s ILE 134 N -3.07 1.16 -0.28 0.00 1.01 -0.79 -0.89 121.20 118.35 2qia s ILE 134 Ca 0.55 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.74 2qia s ILE 134 Cb -0.11 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.24 2qia s ILE 134 CO 0.50 0.38 0.05 -0.76 0.00 0.00 0.00 174.94 175.11 2qia s LEU 135 N 1.36 3.63 1.02 2.97 1.43 -0.42 -0.41 118.68 128.26 2qia s LEU 135 Ca -0.01 -0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 52.25 2qia s LEU 135 Cb -0.14 -1.84 0.21 0.00 0.03 0.00 0.00 46.19 44.46 2qia s LEU 135 CO -0.05 -0.16 1.24 0.00 0.23 0.00 0.00 176.35 177.62 2qia s ALA 136 N 1.48 1.77 0.10 4.21 0.00 0.14 -0.40 121.76 129.07 2qia s ALA 136 Ca 0.03 -1.05 -0.36 0.00 0.00 0.00 0.00 51.96 50.58 2qia s ALA 136 Cb -0.17 -2.84 -0.17 0.00 0.00 0.00 0.00 23.12 19.95 2qia s ALA 136 CO 0.01 -2.70 1.27 0.09 0.00 0.00 0.00 175.76 174.43 2qia n ASN 137 N -4.02 1.42 0.00 0.00 4.13 -1.26 -1.48 115.26 114.05 2qia n ASN 137 Ca 0.14 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.52 2qia n ASN 137 Cb 0.59 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.66 2qia n ASN 137 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2qia n ASN 138 N 2.33 -4.38 -4.71 6.41 3.02 -0.21 -0.76 115.26 116.96 2qia n ASN 138 Ca 0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 2qia n ASN 138 Cb 0.19 -2.48 -0.03 0.00 -0.61 0.00 0.00 39.78 36.85 2qia n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qia s ALA 139 N -1.38 3.86 -0.15 5.41 0.00 -0.55 -4.42 121.76 124.52 2qia s ALA 139 Ca 0.00 1.51 -0.00 0.00 0.00 0.00 0.00 51.96 53.47 2qia s ALA 139 Cb 0.00 -3.71 0.04 0.00 0.00 0.00 0.00 23.12 19.45 2qia s ALA 139 CO 0.00 -1.00 -0.06 0.99 0.00 0.00 0.00 175.76 175.69 2qia s THR 140 N 1.68 1.09 -0.23 0.00 2.01 -0.13 -1.01 115.64 119.05 2qia s THR 140 Ca 0.76 -0.54 -0.10 0.00 0.31 0.00 0.00 61.69 62.12 2qia s THR 140 Cb -0.48 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 2qia s THR 140 CO 0.33 0.19 0.14 -0.76 -0.69 0.00 0.00 174.62 173.84 2qia s LEU 141 N 1.65 4.08 1.14 4.42 1.43 -0.52 -0.45 118.68 130.44 2qia s LEU 141 Ca 0.02 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 2qia s LEU 141 Cb -0.15 -2.08 0.27 0.00 0.03 0.00 0.00 46.19 44.26 2qia s LEU 141 CO -0.08 0.09 1.21 0.00 0.23 0.00 0.00 176.35 177.80 2qia s ALA 142 N 0.90 1.19 0.56 4.21 0.00 -0.63 -3.16 121.76 124.83 2qia s ALA 142 Ca 0.07 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.66 2qia s ALA 142 Cb -0.13 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 2qia s ALA 142 CO 0.03 -3.27 1.28 0.41 0.00 0.00 0.00 175.76 174.21 2qia n GLY 143 N -2.10 0.55 2.40 0.00 0.00 -1.26 -3.60 105.19 101.18 2qia n GLY 143 Ca 0.16 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 2qia n GLY 143 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qia n HIS 144 N -1.18 -0.25 -3.06 1.61 8.25 -0.62 -1.48 115.22 118.49 2qia n HIS 144 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.18 2qia n HIS 144 Cb 0.45 -2.91 -0.05 0.00 1.12 0.00 0.00 29.99 28.60 2qia n HIS 144 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qia s VAL 145 N -2.65 4.69 -0.18 1.59 1.01 -1.24 -3.74 120.40 119.89 2qia s VAL 145 Ca 0.00 1.52 -0.08 0.00 0.00 0.00 0.00 61.98 63.42 2qia s VAL 145 Cb 0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2qia s VAL 145 CO 0.00 0.43 0.09 -0.44 0.00 0.00 0.00 175.10 175.18 2qia s SER 146 N -0.44 5.91 -0.27 3.32 0.01 -0.63 -1.21 113.70 120.39 2qia s SER 146 Ca 0.35 0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.83 2qia s SER 146 Cb -0.20 -2.00 0.07 0.00 0.21 0.00 0.00 66.02 64.10 2qia s SER 146 CO 0.22 0.22 -0.07 -0.69 0.41 0.00 0.00 173.24 173.33 2qia s VAL 147 N 0.12 2.11 0.81 3.43 1.01 0.29 -0.26 120.40 127.90 2qia s VAL 147 Ca 0.07 -1.73 -0.11 0.00 0.00 0.00 0.00 61.98 60.20 2qia s VAL 147 Cb -0.12 -2.30 0.09 0.00 0.00 0.00 0.00 36.38 34.05 2qia s VAL 147 CO -0.00 -0.16 1.16 -1.81 0.00 0.00 0.00 175.10 174.30 2qia s ASP 148 N 1.10 4.37 0.15 3.32 1.01 0.02 -0.60 116.67 126.04 2qia s ASP 148 Ca -0.05 0.62 -0.34 0.00 0.71 0.00 0.00 52.55 53.50 2qia s ASP 148 Cb -0.20 -1.08 -0.16 0.00 1.01 0.00 0.00 42.92 42.49 2qia s ASP 148 CO -0.06 -1.96 1.20 0.47 0.21 0.00 0.00 175.17 175.03 2qia n ASP 149 N -3.29 1.36 0.00 0.27 8.00 -1.26 -1.91 116.55 119.71 2qia n ASP 149 Ca 0.09 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.73 2qia n ASP 149 Cb 0.61 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 2qia n ASP 149 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2qia n PHE 150 N 1.72 0.00 -2.01 1.24 3.72 -0.06 -1.00 117.46 121.08 2qia n PHE 150 Ca 0.16 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.17 2qia n PHE 150 Cb 0.23 -0.71 0.01 0.00 -0.94 0.00 0.00 39.48 38.06 2qia n PHE 150 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qia s ALA 151 N -2.43 3.08 -0.12 4.37 0.00 -0.81 -4.36 121.76 121.50 2qia s ALA 151 Ca 0.00 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.20 2qia s ALA 151 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2qia s ALA 151 CO 0.00 -0.96 -0.23 0.42 0.00 0.00 0.00 175.76 175.00 2qia s ILE 152 N -1.33 2.04 -0.26 0.00 1.01 0.08 -1.89 121.20 120.85 2qia s ILE 152 Ca 0.62 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 2qia s ILE 152 Cb -0.37 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.32 2qia s ILE 152 CO 0.46 0.55 0.01 -0.63 0.00 0.00 0.00 174.94 175.33 2qia s ILE 153 N 0.62 3.52 0.93 2.92 -1.09 0.46 -0.69 121.20 127.86 2qia s ILE 153 Ca -0.12 -0.71 -0.12 0.00 -2.23 0.00 0.00 60.65 57.48 2qia s ILE 153 Cb -0.17 -2.74 0.15 0.00 -1.58 0.00 0.00 42.46 38.12 2qia s ILE 153 CO 0.03 0.22 1.09 -0.83 -1.23 0.00 0.00 174.94 174.22 2qia s GLY 154 N 1.45 1.61 0.38 6.18 0.00 -0.19 -0.68 107.32 116.07 2qia s GLY 154 Ca 0.03 -0.09 -0.28 0.00 0.00 0.00 0.00 44.72 44.39 2qia s GLY 154 CO -0.01 0.43 1.44 0.61 0.00 0.00 0.00 173.10 175.58 2qia n GLY 155 N -0.95 1.06 2.86 0.20 0.00 -1.26 -2.46 105.19 104.63 2qia n GLY 155 Ca 0.07 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2qia n GLY 155 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2qia n MET 156 N 0.39 -0.57 -3.23 1.61 2.81 0.06 -0.25 117.12 117.95 2qia n MET 156 Ca 0.02 0.14 -0.39 0.00 -1.81 0.00 0.00 57.70 55.67 2qia n MET 156 Cb 0.39 -3.74 -0.06 0.00 -0.71 0.00 0.00 33.22 29.10 2qia n MET 156 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2qia s THR 157 N -1.95 4.82 0.09 2.03 2.01 -1.03 -4.41 115.64 117.21 2qia s THR 157 Ca 0.00 1.25 0.09 0.00 0.31 0.00 0.00 61.69 63.33 2qia s THR 157 Cb 0.00 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2qia s THR 157 CO 0.00 0.48 -0.19 0.00 -0.69 0.00 0.00 174.62 174.21 2qia s ALA 158 N -0.59 2.60 -0.14 7.40 0.00 -0.83 -0.95 121.76 129.24 2qia s ALA 158 Ca 0.30 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2qia s ALA 158 Cb -0.19 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.31 2qia s ALA 158 CO 0.18 0.58 -0.20 0.08 0.00 0.00 0.00 175.76 176.40 2qia s VAL 159 N -1.05 1.96 0.56 0.00 1.01 0.40 -0.99 120.40 122.29 2qia s VAL 159 Ca 0.16 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 2qia s VAL 159 Cb -0.10 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2qia s VAL 159 CO 0.08 0.53 1.33 -2.28 0.00 0.00 0.00 175.10 174.76 2qia s HIS 160 N 0.98 2.27 0.47 5.22 5.65 0.35 -1.61 115.29 128.62 2qia s HIS 160 Ca -0.04 1.40 -0.23 0.00 0.25 0.00 0.00 55.06 56.45 2qia s HIS 160 Cb -0.15 -3.75 -0.09 0.00 -1.18 0.00 0.00 32.58 27.41 2qia s HIS 160 CO -0.05 -2.83 1.06 0.00 -0.65 0.00 0.00 174.74 172.27 2qia n GLN 161 N -1.19 1.38 -0.46 2.88 0.00 -1.26 -2.63 117.38 116.10 2qia n GLN 161 Ca 0.11 0.50 0.00 0.00 0.00 0.00 0.00 57.00 57.62 2qia n GLN 161 Cb 0.46 -2.16 0.00 0.00 0.00 0.00 0.00 30.24 28.54 2qia n GLN 161 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2qia n PHE 162 N -0.72 0.00 -2.31 2.61 3.72 -0.55 -4.96 117.46 115.24 2qia n PHE 162 Ca 0.10 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.14 2qia n PHE 162 Cb 0.41 -0.28 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 2qia n PHE 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qia s ILE 164 N -1.68 3.69 -0.40 0.00 1.01 -1.26 -1.60 121.20 120.95 2qia s ILE 164 Ca 0.67 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 60.77 2qia s ILE 164 Cb -0.25 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.57 2qia s ILE 164 CO 0.30 0.43 0.32 -0.63 0.00 0.00 0.00 174.94 175.36 2qia s ILE 165 N 1.11 5.23 0.95 2.92 -1.09 0.64 -0.91 121.20 130.05 2qia s ILE 165 Ca 0.02 -0.56 -0.11 0.00 -2.23 0.00 0.00 60.65 57.76 2qia s ILE 165 Cb -0.15 -3.93 0.16 0.00 -1.58 0.00 0.00 42.46 36.97 2qia s ILE 165 CO 0.01 -0.30 1.09 -0.83 -1.23 0.00 0.00 174.94 173.68 2qia s GLY 166 N 1.70 1.62 0.36 6.18 0.00 0.05 -0.80 107.32 116.43 2qia s GLY 166 Ca 0.06 0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.57 2qia s GLY 166 CO 0.11 0.58 1.42 0.00 0.00 0.00 0.00 173.10 175.21 2qia n ALA 167 N -4.15 1.96 -1.16 3.20 0.00 -1.26 -2.67 120.51 116.43 2qia n ALA 167 Ca 0.07 0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 2qia n ALA 167 Cb 0.54 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 2qia n ALA 167 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qia n HIS 168 N 0.47 0.00 -2.26 0.00 8.25 -0.17 -0.01 115.22 121.50 2qia n HIS 168 Ca 0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.12 2qia n HIS 168 Cb 0.38 -1.97 -0.01 0.00 1.12 0.00 0.00 29.99 29.51 2qia n HIS 168 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qia s VAL 169 N -1.68 3.12 -0.21 1.59 1.01 -1.09 -4.20 120.40 118.94 2qia s VAL 169 Ca 0.00 0.81 0.02 0.00 0.00 0.00 0.00 61.98 62.81 2qia s VAL 169 Cb 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 33.02 2qia s VAL 169 CO 0.00 -0.04 -0.14 -0.32 0.00 0.00 0.00 175.10 174.60 2qia s MET 170 N -2.80 2.47 -0.23 2.72 -2.45 -0.76 -0.74 119.30 117.50 2qia s MET 170 Ca 0.65 -0.98 -0.11 0.00 -1.25 0.00 0.00 55.69 54.00 2qia s MET 170 Cb -0.28 -2.60 -0.05 0.00 1.25 0.00 0.00 34.83 33.15 2qia s MET 170 CO 0.33 -0.38 0.18 0.08 1.05 0.00 0.00 175.02 176.29 2qia s VAL 171 N 1.27 5.35 0.83 10.11 1.01 0.13 -0.51 120.40 138.59 2qia s VAL 171 Ca -0.01 0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 2qia s VAL 171 Cb -0.16 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 32.79 2qia s VAL 171 CO -0.09 0.35 1.13 -0.83 0.00 0.00 0.00 175.10 175.66 2qia s GLY 172 N 0.98 1.78 0.92 4.51 0.00 0.76 -1.02 107.32 115.25 2qia s GLY 172 Ca 0.09 0.50 -0.10 0.00 0.00 0.00 0.00 44.72 45.21 2qia s GLY 172 CO 0.04 0.89 1.13 -0.32 0.00 0.00 0.00 173.10 174.85 2qia s GLY 173 N -2.86 1.68 -1.51 0.20 0.00 -1.26 -3.77 107.32 99.79 2qia s GLY 173 Ca 0.66 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 45.75 2qia s GLY 173 CO 0.55 0.94 1.01 0.00 0.00 0.00 0.00 173.10 175.60 2qia s SER 175 N -3.29 4.64 -0.18 0.00 0.01 -1.25 -4.69 113.70 108.94 2qia s SER 175 Ca 0.66 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 57.25 2qia s SER 175 Cb -0.32 -0.85 0.05 0.00 0.21 0.00 0.00 66.02 65.10 2qia s SER 175 CO 0.81 -0.08 -0.03 -0.83 0.41 0.00 0.00 173.24 173.52 2qia s GLY 176 N -3.73 0.94 -0.33 3.44 0.00 -0.24 -1.97 107.32 105.43 2qia s GLY 176 Ca 0.33 -0.88 -0.14 0.00 0.00 0.00 0.00 44.72 44.03 2qia s GLY 176 CO 0.21 1.08 0.33 0.14 0.00 0.00 0.00 173.10 174.86 2qia s VAL 177 N 1.66 5.20 -0.43 1.40 1.01 -0.16 -0.35 120.40 128.73 2qia s VAL 177 Ca -0.01 0.06 0.15 0.00 0.00 0.00 0.00 61.98 62.18 2qia s VAL 177 Cb -0.16 -3.77 -0.20 0.00 0.00 0.00 0.00 36.38 32.24 2qia s VAL 177 CO -0.07 -0.03 0.52 0.00 0.00 0.00 0.00 175.10 175.51 2qia n ALA 178 N 5.31 3.40 -4.23 5.51 0.00 -1.26 -0.50 120.51 128.74 2qia n ALA 178 Ca -0.10 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.71 2qia n ALA 178 Cb 0.50 -0.55 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 2qia n ALA 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qia n GLN 179 N -1.65 0.48 -2.54 0.00 6.02 -1.26 -4.86 117.38 113.58 2qia n GLN 179 Ca 0.00 -3.01 -0.38 0.00 -0.01 0.00 0.00 57.00 53.60 2qia n GLN 179 Cb 0.31 2.07 -0.04 0.00 1.02 0.00 0.00 30.24 33.60 2qia n GLN 179 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2qia s ASP 180 N -3.15 7.03 -0.25 1.08 1.01 -0.28 -4.67 116.67 117.45 2qia s ASP 180 Ca 0.27 2.12 -0.02 0.00 0.71 0.00 0.00 52.55 55.63 2qia s ASP 180 Cb 0.01 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.36 2qia s ASP 180 CO 0.19 -0.30 -0.05 -0.69 0.21 0.00 0.00 175.17 174.54 2qia s VAL 181 N -1.43 3.03 0.80 -1.27 1.01 -0.09 -1.37 120.40 121.09 2qia s VAL 181 Ca 0.51 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 2qia s VAL 181 Cb -0.26 -2.52 0.07 0.00 0.00 0.00 0.00 36.38 33.67 2qia s VAL 181 CO 0.33 0.22 1.17 -2.65 0.00 0.00 0.00 175.10 174.17 2qia n PRO 182 N 4.70 0.22 -1.58 2.72 -0.02 -1.26 -0.77 135.00 139.01 2qia n PRO 182 Ca -0.16 0.15 -0.36 0.00 -2.02 0.00 0.00 63.50 61.10 2qia n PRO 182 Cb 0.48 -2.41 0.08 0.00 -0.02 0.00 0.00 33.50 31.62 2qia n PRO 182 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2qia n PRO 183 N -3.11 0.89 -0.96 0.52 -0.04 -1.26 -3.23 135.00 127.81 2qia n PRO 183 Ca 0.13 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2qia n PRO 183 Cb 0.50 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 2qia n PRO 183 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2qia n TYR 184 N -2.20 0.00 -3.49 0.54 4.01 0.98 -4.92 117.16 112.08 2qia n TYR 184 Ca 0.15 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.52 2qia n TYR 184 Cb 0.48 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.32 2qia n TYR 184 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qia s VAL 185 N -3.49 5.01 -0.14 -0.72 1.01 -1.20 0.62 120.40 121.49 2qia s VAL 185 Ca 0.00 0.77 -0.21 0.00 0.00 0.00 0.00 61.98 62.54 2qia s VAL 185 Cb 0.00 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2qia s VAL 185 CO 0.00 0.47 0.61 -0.63 0.00 0.00 0.00 175.10 175.56 2qia s ILE 186 N -1.20 5.07 0.02 2.22 1.01 0.29 -1.83 121.20 126.78 2qia s ILE 186 Ca 0.28 1.21 0.07 0.00 0.00 0.00 0.00 60.65 62.21 2qia s ILE 186 Cb -0.16 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2qia s ILE 186 CO 0.15 0.21 -0.21 0.00 0.00 0.00 0.00 174.94 175.09 2qia s ALA 187 N 1.24 1.80 -0.07 9.38 0.00 0.33 0.00 121.76 134.44 2qia s ALA 187 Ca 0.31 -1.03 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 2qia s ALA 187 Cb -0.16 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.63 2qia s ALA 187 CO 0.13 0.42 0.58 -1.14 0.00 0.00 0.00 175.76 175.75 2qia s GLN 188 N -0.95 0.92 0.00 0.00 -0.44 -0.79 -0.17 119.66 118.22 2qia s GLN 188 Ca 0.08 0.25 0.00 0.00 -2.50 0.00 0.00 55.36 53.19 2qia s GLN 188 Cb -0.09 0.43 0.00 0.00 -1.64 0.00 0.00 33.01 31.71 2qia s GLN 188 CO 0.01 -0.26 0.00 0.41 0.50 0.00 0.00 175.29 175.95 2qia n GLY 189 N 1.28 -0.14 2.64 2.59 0.00 -1.26 -0.87 105.19 109.43 2qia n GLY 189 Ca -0.19 -2.28 -0.22 0.00 0.00 0.00 0.00 46.02 43.33 2qia n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qia s ASN 190 N -0.73 2.02 0.52 1.61 2.47 -1.26 -1.08 114.94 118.50 2qia s ASN 190 Ca 0.00 -1.65 -0.17 0.00 0.42 0.00 0.00 52.86 51.46 2qia s ASN 190 Cb 0.00 0.16 -0.07 0.00 -1.45 0.00 0.00 41.25 39.89 2qia s ASN 190 CO 0.00 -0.31 1.00 -1.00 -3.72 0.00 0.00 177.10 173.07 2qia s HIS 191 N 1.49 3.32 0.35 0.43 0.09 -1.26 -4.97 115.29 114.74 2qia s HIS 191 Ca 0.16 1.49 -0.28 0.00 -0.00 0.00 0.00 55.06 56.43 2qia s HIS 191 Cb -0.18 -2.85 -0.10 0.00 -0.00 0.00 0.00 32.58 29.45 2qia s HIS 191 CO -0.09 -0.53 1.35 0.00 -0.00 0.00 0.00 174.74 175.48 2qia s ALA 192 N -2.52 3.49 0.22 -1.40 0.00 0.53 -4.92 121.76 117.15 2qia s ALA 192 Ca 0.61 1.34 0.06 0.00 0.00 0.00 0.00 51.96 53.97 2qia s ALA 192 Cb -0.11 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 2qia s ALA 192 CO 0.30 -0.78 -0.08 0.95 0.00 0.00 0.00 175.76 176.15 2qia s THR 193 N -1.15 1.47 0.21 0.00 -4.23 -0.05 -4.62 115.64 107.27 2qia s THR 193 Ca 0.51 -2.12 -0.25 0.00 -1.18 0.00 0.00 61.69 58.65 2qia s THR 193 Cb -0.41 -2.19 -0.08 0.00 1.34 0.00 0.00 72.50 71.15 2qia s THR 193 CO 0.55 -0.48 0.80 -2.16 -0.54 0.00 0.00 174.62 172.79 2qia s PRO 194 N -3.73 4.52 -0.34 3.99 0.04 -1.26 -1.89 135.00 136.33 2qia s PRO 194 Ca 0.25 1.15 0.13 0.00 0.04 0.00 0.00 61.00 62.56 2qia s PRO 194 Cb 0.02 -3.11 0.46 0.00 0.04 0.00 0.00 34.50 31.91 2qia s PRO 194 CO 0.08 0.48 1.07 1.19 0.04 0.00 0.00 177.00 179.86 2qia n PHE 195 N 1.23 2.12 -2.56 0.56 3.01 0.10 -4.97 117.46 116.95 2qia n PHE 195 Ca -0.03 -2.67 0.00 0.00 1.01 0.00 0.00 57.45 55.75 2qia n PHE 195 Cb 0.49 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 2qia n PHE 195 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qia n GLY 196 N -0.40 -1.90 3.84 1.37 0.00 -1.26 -4.65 105.19 102.20 2qia n GLY 196 Ca 0.23 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 2qia n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qia s VAL 197 N 0.00 4.94 -0.97 1.61 1.01 -1.26 -0.55 120.40 125.18 2qia s VAL 197 Ca 0.00 0.82 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 2qia s VAL 197 Cb 0.00 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2qia s VAL 197 CO 0.00 0.40 2.07 -3.20 0.00 0.00 0.00 175.10 174.37 2qia n ASN 198 N 1.27 3.58 -0.20 3.32 5.15 0.20 -4.73 115.26 123.85 2qia n ASN 198 Ca -0.09 -2.63 -0.06 0.00 -0.60 0.00 0.00 54.58 51.20 2qia n ASN 198 Cb 0.52 -1.23 0.03 0.00 -0.53 0.00 0.00 39.78 38.57 2qia n ASN 198 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2qia h ILE 199 N 4.10 1.14 -0.60 -1.44 2.04 -1.94 -2.33 117.51 118.48 2qia h ILE 199 Ca 0.49 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 2qia h ILE 199 Cb 0.54 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2qia h ILE 199 CO 1.83 0.14 0.33 -0.08 0.00 0.00 0.00 178.15 180.37 2qia h GLU 200 N 0.77 0.84 -0.41 2.37 4.57 -2.00 -0.46 114.58 120.26 2qia h GLU 200 Ca 0.21 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.31 2qia h GLU 200 Cb -0.08 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 2qia h GLU 200 CO -0.05 0.64 0.26 0.78 -1.18 0.00 0.00 179.01 179.46 2qia h GLY 201 N 0.81 0.58 0.99 1.92 0.00 -1.89 -2.29 103.07 103.19 2qia h GLY 201 Ca 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 2qia h GLY 201 CO -0.03 0.19 0.11 1.41 0.00 0.00 0.00 176.54 178.21 2qia h LEU 202 N 0.53 0.80 -0.09 3.11 3.38 -1.06 -2.21 115.31 119.76 2qia h LEU 202 Ca 0.16 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2qia h LEU 202 Cb -0.03 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 2qia h LEU 202 CO -0.05 0.83 -0.32 0.11 0.09 0.00 0.00 178.44 179.10 2qia h LYS 203 N 0.72 -0.40 0.00 1.13 1.57 -0.97 -1.31 116.57 117.31 2qia h LYS 203 Ca 0.16 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2qia h LYS 203 Cb 0.36 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2qia h LYS 203 CO 0.00 -0.27 -0.11 0.00 -0.57 0.00 0.00 179.45 178.51 2qia h ARG 204 N -0.42 0.00 -0.26 3.15 3.08 -1.27 -2.26 114.38 116.40 2qia h ARG 204 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2qia h ARG 204 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2qia h ARG 204 CO -0.33 0.11 0.00 0.54 -1.07 0.00 0.00 179.97 179.22 2qia n ARG 205 N -3.85 2.03 -0.48 0.04 1.74 -0.84 -4.94 116.66 110.35 2qia n ARG 205 Ca -0.02 -1.55 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 2qia n ARG 205 Cb 0.21 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2qia n ARG 205 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qia n GLY 206 N 1.27 0.73 3.74 -0.13 0.00 -0.85 -5.05 105.19 104.90 2qia n GLY 206 Ca 0.17 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2qia n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qia s PHE 207 N -2.00 3.08 0.72 1.61 0.40 -0.53 -5.01 117.98 116.25 2qia s PHE 207 Ca 0.00 0.99 -0.12 0.00 -0.60 0.00 0.00 56.93 57.20 2qia s PHE 207 Cb 0.00 -3.79 0.03 0.00 0.51 0.00 0.00 43.02 39.77 2qia s PHE 207 CO 0.00 -2.64 1.10 -1.54 0.70 0.00 0.00 175.22 172.84 2qia s SER 208 N 0.53 4.76 0.43 1.36 1.04 -1.26 -4.65 113.70 115.91 2qia s SER 208 Ca 0.61 1.89 0.18 0.00 0.48 0.00 0.00 55.95 59.11 2qia s SER 208 Cb -0.41 -2.53 0.98 0.00 0.10 0.00 0.00 66.02 64.16 2qia s SER 208 CO 0.40 -1.86 1.91 0.08 0.98 0.00 0.00 173.24 174.75 2qia h ARG 209 N -0.65 0.00 -0.46 4.02 0.11 -1.99 -1.49 114.38 113.93 2qia h ARG 209 Ca -0.45 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.54 2qia h ARG 209 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 2qia h ARG 209 CO 0.53 0.26 -0.09 0.93 0.10 0.00 0.00 179.97 181.70 2qia h GLU 210 N 0.00 0.87 -0.36 0.08 3.07 -1.99 -0.46 114.58 115.79 2qia h GLU 210 Ca -0.00 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.49 2qia h GLU 210 Cb 0.54 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 2qia h GLU 210 CO 0.03 0.96 0.07 0.00 -1.40 0.00 0.00 179.01 178.67 2qia h ALA 211 N 0.88 0.47 -0.46 3.43 0.00 -1.83 -1.20 119.26 120.56 2qia h ALA 211 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2qia h ALA 211 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2qia h ALA 211 CO 0.04 0.17 0.23 0.82 0.00 0.00 0.00 179.25 180.51 2qia h ILE 212 N 0.43 1.18 -0.33 0.00 2.04 -1.20 -0.34 117.51 119.29 2qia h ILE 212 Ca 0.11 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.53 2qia h ILE 212 Cb 0.34 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2qia h ILE 212 CO 0.01 0.19 0.08 0.74 0.00 0.00 0.00 178.15 179.16 2qia h THR 213 N 0.60 0.85 -0.72 -0.27 2.02 -1.02 0.59 112.91 114.96 2qia h THR 213 Ca 0.16 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.28 2qia h THR 213 Cb 0.09 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 2qia h THR 213 CO -0.02 0.04 0.47 0.00 0.37 0.00 0.00 175.52 176.38 2qia h ALA 214 N 1.24 0.92 -0.45 6.16 0.00 -0.88 0.21 119.26 126.46 2qia h ALA 214 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2qia h ALA 214 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qia h ALA 214 CO -0.19 0.32 0.16 0.82 0.00 0.00 0.00 179.25 180.35 2qia h ILE 215 N 0.96 1.22 -0.95 0.00 2.04 -0.73 -0.36 117.51 119.68 2qia h ILE 215 Ca 0.27 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.45 2qia h ILE 215 Cb -0.09 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2qia h ILE 215 CO -0.07 0.25 0.62 0.03 0.00 0.00 0.00 178.15 178.99 2qia h ARG 216 N 0.59 1.22 -0.72 2.37 3.08 -0.46 0.53 114.38 120.99 2qia h ARG 216 Ca 0.15 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2qia h ARG 216 Cb 0.23 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2qia h ARG 216 CO -0.01 0.81 0.28 -0.91 -1.07 0.00 0.00 179.97 179.07 2qia h ASN 217 N 1.25 1.00 -0.42 7.04 2.35 -0.56 -0.83 115.58 125.40 2qia h ASN 217 Ca 0.36 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2qia h ASN 217 Cb -0.10 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 37.99 2qia h ASN 217 CO -0.09 0.90 0.22 0.00 -1.65 0.00 0.00 177.43 176.80 2qia h ALA 218 N 1.14 0.55 -0.51 -0.83 0.00 -0.57 -1.41 119.26 117.63 2qia h ALA 218 Ca 0.24 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2qia h ALA 218 Cb 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2qia h ALA 218 CO -0.02 0.09 0.16 -0.92 0.00 0.00 0.00 179.25 178.56 2qia h TYR 219 N 0.55 0.27 -0.81 0.00 3.20 -0.61 -1.89 116.97 117.67 2qia h TYR 219 Ca 0.15 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2qia h TYR 219 Cb 0.09 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2qia h TYR 219 CO -0.02 0.06 0.39 0.87 -1.64 0.00 0.00 178.16 177.82 2qia h LYS 220 N 0.32 1.16 -0.74 1.82 1.57 -0.87 -0.38 116.57 119.45 2qia h LYS 220 Ca 0.25 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2qia h LYS 220 Cb 0.30 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 2qia h LYS 220 CO -0.28 0.89 0.46 -0.07 -0.57 0.00 0.00 179.45 179.88 2qia h LEU 221 N 1.15 0.74 -0.08 2.94 3.38 -0.70 0.22 115.31 122.95 2qia h LEU 221 Ca 0.28 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 2qia h LEU 221 Cb 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2qia h LEU 221 CO -0.03 0.50 -0.08 0.40 0.09 0.00 0.00 178.44 179.31 2qia h ILE 222 N 0.87 1.36 0.00 1.22 2.04 -0.73 -3.35 117.51 118.92 2qia h ILE 222 Ca 0.30 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2qia h ILE 222 Cb 0.06 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2qia h ILE 222 CO -0.13 0.35 -1.28 -1.22 0.00 0.00 0.00 178.15 175.87 2qia n TYR 223 N -4.68 0.00 0.02 1.37 4.01 -0.21 -4.70 117.16 112.96 2qia n TYR 223 Ca -0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.69 2qia n TYR 223 Cb 0.31 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 2qia n TYR 223 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2qia n ARG 224 N -1.74 0.68 0.20 -0.72 5.12 0.62 -4.68 116.66 116.13 2qia n ARG 224 Ca -0.01 -0.03 0.08 0.00 -1.93 0.00 0.00 57.85 55.95 2qia n ARG 224 Cb 0.26 -1.05 0.36 0.00 -1.16 0.00 0.00 32.46 30.86 2qia n ARG 224 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2qia h SER 225 N 0.00 0.00 0.00 0.55 4.64 -1.29 -3.47 113.55 113.99 2qia h SER 225 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qia h SER 225 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2qia h SER 225 CO 0.00 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 2qia n GLY 226 N 0.31 0.85 3.91 -0.77 0.00 -1.26 -5.03 105.19 103.20 2qia n GLY 226 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2qia n GLY 226 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qia s LYS 227 N -0.06 3.55 0.73 1.61 1.02 -1.26 -5.08 119.74 120.24 2qia s LYS 227 Ca 0.00 0.14 -0.11 0.00 0.02 0.00 0.00 55.97 56.02 2qia s LYS 227 Cb 0.00 -2.42 0.03 0.00 -0.52 0.00 0.00 37.83 34.92 2qia s LYS 227 CO 0.00 -0.14 1.07 0.95 -0.92 0.00 0.00 175.35 176.31 2qia s THR 228 N -2.66 3.74 0.28 2.17 -4.23 -1.26 -4.93 115.64 108.75 2qia s THR 228 Ca 0.46 0.56 -0.03 0.00 -1.18 0.00 0.00 61.69 61.51 2qia s THR 228 Cb -0.10 -3.24 0.23 0.00 1.34 0.00 0.00 72.50 70.73 2qia s THR 228 CO 0.43 -0.74 1.92 0.25 -0.54 0.00 0.00 174.62 175.95 2qia h LEU 229 N -0.87 0.96 -1.37 4.79 5.85 -1.94 -2.39 115.31 120.33 2qia h LEU 229 Ca -0.44 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 2qia h LEU 229 Cb 1.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 2qia h LEU 229 CO 0.56 0.74 0.33 0.44 -0.34 0.00 0.00 178.44 180.17 2qia h ASP 230 N 1.10 0.67 -0.47 1.25 3.32 -2.01 -1.12 116.42 119.16 2qia h ASP 230 Ca 0.29 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 2qia h ASP 230 Cb -0.03 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2qia h ASP 230 CO -0.05 0.52 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.43 2qia h GLU 231 N 0.77 0.98 0.00 3.56 5.08 -1.81 -3.32 114.58 119.83 2qia h GLU 231 Ca 0.20 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2qia h GLU 231 Cb -0.02 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2qia h GLU 231 CO -0.04 1.10 -0.89 -0.39 -1.00 0.00 0.00 179.01 177.80 2qia h VAL 232 N 0.83 0.00 -0.52 3.13 -1.51 -1.17 -3.38 116.25 113.63 2qia h VAL 232 Ca 0.10 -0.97 0.10 0.00 -1.23 0.00 0.00 66.70 64.70 2qia h VAL 232 Cb 0.81 1.53 -0.11 0.00 -2.13 0.00 0.00 31.29 31.38 2qia h VAL 232 CO 0.07 0.00 -0.25 0.11 -1.23 0.00 0.00 177.57 176.27 2qia h LYS 233 N 0.00 -0.12 -0.34 5.19 1.57 -1.31 0.62 116.57 122.17 2qia h LYS 233 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2qia h LYS 233 Cb 0.99 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 2qia h LYS 233 CO 0.00 -0.08 0.01 -1.35 -0.57 0.00 0.00 179.45 177.46 2qia h PRO 234 N -0.13 0.52 -0.44 3.15 0.11 -1.78 -0.33 132.00 133.10 2qia h PRO 234 Ca 0.24 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 2qia h PRO 234 Cb 0.50 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 2qia h PRO 234 CO -0.60 0.54 0.17 0.93 -0.21 0.00 0.00 178.00 178.83 2qia h GLU 235 N 0.50 0.66 -0.69 1.05 5.08 -1.45 -0.20 114.58 119.53 2qia h GLU 235 Ca 0.11 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2qia h GLU 235 Cb 0.31 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2qia h GLU 235 CO 0.01 0.62 0.25 0.82 -1.00 0.00 0.00 179.01 179.71 2qia h ILE 236 N 0.57 1.25 -0.62 3.13 2.04 -0.63 -1.47 117.51 121.78 2qia h ILE 236 Ca 0.15 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 2qia h ILE 236 Cb 0.21 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2qia h ILE 236 CO -0.01 0.32 0.38 0.00 0.00 0.00 0.00 178.15 178.84 2qia h ALA 237 N 1.12 0.79 -0.41 1.87 0.00 -0.83 -1.47 119.26 120.33 2qia h ALA 237 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qia h ALA 237 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2qia h ALA 237 CO -0.01 0.26 0.26 0.93 0.00 0.00 0.00 179.25 180.69 2qia h GLU 238 N 0.84 0.54 -0.70 0.00 5.08 -0.78 -2.57 114.58 117.00 2qia h GLU 238 Ca 0.22 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2qia h GLU 238 Cb -0.04 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 2qia h GLU 238 CO -0.04 0.38 0.46 1.25 -1.00 0.00 0.00 179.01 180.06 2qia h LEU 239 N 0.54 0.78 -2.30 1.33 5.85 -1.01 -2.10 115.31 118.40 2qia h LEU 239 Ca 0.15 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2qia h LEU 239 Cb -0.03 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 2qia h LEU 239 CO -0.03 0.56 -0.02 0.00 -0.34 0.00 0.00 178.44 178.61 2qia h ALA 240 N 1.57 1.07 0.00 1.25 0.00 -0.85 -1.80 119.26 120.50 2qia h ALA 240 Ca 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2qia h ALA 240 Cb -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qia h ALA 240 CO -0.06 0.03 -0.15 0.93 0.00 0.00 0.00 179.25 180.00 2qia h GLU 241 N 0.00 0.00 0.01 0.00 4.39 -1.27 -3.23 114.58 114.47 2qia h GLU 241 Ca -0.00 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.29 2qia h GLU 241 Cb 0.22 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 2qia h GLU 241 CO 0.00 0.15 -2.41 2.41 -1.16 0.00 0.00 179.01 178.01 2qia n THR 242 N -3.35 1.53 -3.85 1.13 -1.04 -0.86 -4.86 114.28 102.98 2qia n THR 242 Ca -0.00 -0.49 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 2qia n THR 242 Cb 0.36 -1.63 -0.12 0.00 -1.82 0.00 0.00 70.33 67.12 2qia n THR 242 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2qia s TYR 243 N -2.51 3.61 0.59 -1.42 2.02 -0.73 -4.98 117.35 113.91 2qia s TYR 243 Ca -0.35 -2.64 0.28 0.00 -0.37 0.00 0.00 57.07 54.00 2qia s TYR 243 Cb 0.11 -3.13 1.66 0.00 -0.40 0.00 0.00 41.96 40.20 2qia s TYR 243 CO 0.58 -0.95 2.12 -1.00 -1.57 0.00 0.00 175.55 174.73 2qia h PRO 244 N 7.77 0.00 0.00 -1.71 0.13 -1.86 -1.61 132.00 134.73 2qia h PRO 244 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 2qia h PRO 244 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2qia h PRO 244 CO 0.65 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.33 2qia h GLU 245 N 0.00 0.00 0.00 0.86 3.07 -1.94 -2.18 114.58 114.40 2qia h GLU 245 Ca 0.08 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 2qia h GLU 245 Cb 0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2qia h GLU 245 CO -0.00 0.03 -0.04 0.28 -1.40 0.00 0.00 179.01 177.88 2qia h VAL 246 N 0.00 0.10 -0.17 3.13 2.07 -1.61 -2.89 116.25 116.88 2qia h VAL 246 Ca -0.00 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 66.91 2qia h VAL 246 Cb 0.05 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2qia h VAL 246 CO 0.00 0.04 0.16 0.50 0.02 0.00 0.00 177.57 178.29 2qia h LYS 247 N 0.00 0.00 -0.93 1.57 3.64 -1.56 -1.49 116.57 117.80 2qia h LYS 247 Ca -0.00 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 2qia h LYS 247 Cb 0.59 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 2qia h LYS 247 CO 0.01 0.00 0.59 0.00 -2.27 0.00 0.00 179.45 177.78 2qia h ALA 248 N 1.84 1.74 0.12 5.00 0.00 -1.70 -0.77 119.26 125.49 2qia h ALA 248 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qia h ALA 248 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qia h ALA 248 CO -0.00 0.01 -0.06 0.74 0.00 0.00 0.00 179.25 179.94 2qia h PHE 249 N 0.78 -0.15 -0.45 0.00 0.04 -1.50 -1.48 116.94 114.17 2qia h PHE 249 Ca 0.47 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.29 2qia h PHE 249 Cb 0.67 0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.82 2qia h PHE 249 CO -0.00 -0.01 0.17 1.79 -0.60 0.00 0.00 178.31 179.66 2qia h THR 250 N -0.26 0.86 -0.76 -1.55 1.35 -1.40 -0.16 112.91 110.99 2qia h THR 250 Ca -0.02 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.69 2qia h THR 250 Cb 0.21 0.49 -0.03 0.00 -1.73 0.00 0.00 68.15 67.09 2qia h THR 250 CO 0.03 0.06 0.32 0.44 -0.25 0.00 0.00 175.52 176.12 2qia h ASP 251 N 0.34 1.03 -0.43 5.36 3.32 -1.15 -2.90 116.42 121.99 2qia h ASP 251 Ca 0.21 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2qia h ASP 251 Cb 0.20 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2qia h ASP 251 CO -0.21 0.91 0.19 0.15 -1.72 0.00 0.00 179.24 178.56 2qia h PHE 252 N 1.09 0.63 -0.85 4.55 3.57 -0.70 -3.09 116.94 122.13 2qia h PHE 252 Ca 0.25 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.79 2qia h PHE 252 Cb 0.19 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 2qia h PHE 252 CO 0.02 0.53 0.55 0.74 -2.23 0.00 0.00 178.31 177.91 2qia h PHE 253 N 0.55 0.94 0.00 0.41 0.04 -0.84 -0.56 116.94 117.48 2qia h PHE 253 Ca 0.15 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 2qia h PHE 253 Cb 0.14 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 2qia h PHE 253 CO -0.01 0.48 -0.11 0.00 -0.60 0.00 0.00 178.31 178.07 2qia h ALA 254 N 1.55 1.05 0.00 2.45 0.00 -1.44 -2.97 119.26 119.89 2qia h ALA 254 Ca 0.37 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 2qia h ALA 254 Cb 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2qia h ALA 254 CO -0.14 0.14 -1.82 0.54 0.00 0.00 0.00 179.25 177.97 2qia n ARG 255 N -3.29 0.65 -1.94 0.00 1.74 -0.59 -4.98 116.66 108.25 2qia n ARG 255 Ca -0.00 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 2qia n ARG 255 Cb 0.34 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 2qia n ARG 255 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qia s SER 256 N -5.35 6.60 0.00 0.55 0.15 -0.32 -4.92 113.70 110.41 2qia s SER 256 Ca -0.06 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.18 2qia s SER 256 Cb 0.09 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2qia s SER 256 CO 0.84 -0.82 0.00 0.35 1.20 0.00 0.00 173.24 174.81 2qia n THR 257 N 4.04 0.00 0.00 6.45 -2.24 -1.26 -4.82 114.28 116.45 2qia n THR 257 Ca 0.14 -0.19 0.08 0.00 -2.27 0.00 0.00 64.05 61.81 2qia n THR 257 Cb 0.39 0.70 0.18 0.00 -2.10 0.00 0.00 70.33 69.50 2qia n THR 257 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2qia n ARG 258 N -0.91 2.39 -0.10 -0.78 1.74 -1.26 -5.09 116.66 112.64 2qia n ARG 258 Ca 0.00 -2.08 0.01 0.00 -0.77 0.00 0.00 57.85 55.02 2qia n ARG 258 Cb 0.00 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 2qia n ARG 258 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qia n GLY 259 N 0.97 -2.08 3.87 -0.13 0.00 -1.26 -4.56 105.19 101.99 2qia n GLY 259 Ca 0.15 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 2qia n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qia s LEU 260 N -5.05 4.36 0.33 0.99 1.43 -1.26 -1.12 118.68 118.36 2qia s LEU 260 Ca 0.00 0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 53.60 2qia s LEU 260 Cb 0.00 -2.94 -0.11 0.00 0.03 0.00 0.00 46.19 43.17 2qia s LEU 260 CO 0.00 0.19 1.52 0.27 0.23 0.00 0.00 176.35 178.56 2qia s ILE 261 N -1.37 2.11 0.00 -0.59 -4.36 -0.47 -4.81 121.20 111.71 2qia s ILE 261 Ca 0.32 0.10 0.00 0.00 -0.26 0.00 0.00 60.65 60.82 2qia s ILE 261 Cb -0.14 -3.07 0.00 0.00 1.25 0.00 0.00 42.46 40.50 2qia s ILE 261 CO 0.18 0.02 0.00 0.54 0.24 0.00 0.00 174.94 175.92