#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3a s LYS 2 N 0.00 0.31 -0.10 2.12 2.47 -1.25 -5.04 119.74 118.25 3i3a s LYS 2 Ca 0.00 0.59 0.03 0.00 -1.56 0.00 0.00 55.97 55.03 3i3a s LYS 2 Cb 0.00 0.16 0.01 0.00 -1.46 0.00 0.00 37.83 36.54 3i3a s LYS 2 CO 0.00 -0.08 -0.19 0.42 0.16 0.00 0.00 175.35 175.67 3i3a s ILE 3 N 1.61 1.70 0.21 5.43 1.01 -1.26 -1.95 121.20 127.95 3i3a s ILE 3 Ca -0.07 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 3i3a s ILE 3 Cb -0.04 -1.51 -0.09 0.00 0.01 0.00 0.00 42.46 40.83 3i3a s ILE 3 CO -0.15 0.48 1.31 -2.28 0.00 0.00 0.00 174.94 174.30 3i3a s HIS 4 N 0.66 3.24 0.56 3.97 2.46 0.87 -4.91 115.29 122.14 3i3a s HIS 4 Ca -0.13 1.24 0.29 0.00 0.47 0.00 0.00 55.06 56.93 3i3a s HIS 4 Cb -0.16 -3.61 1.47 0.00 -0.13 0.00 0.00 32.58 30.14 3i3a s HIS 4 CO 0.03 -1.88 1.92 -1.35 -2.47 0.00 0.00 174.74 170.99 3i3a h PRO 5 N 5.16 0.00 0.00 2.88 0.11 -1.95 -1.23 132.00 136.97 3i3a h PRO 5 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i3a h PRO 5 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i3a h PRO 5 CO 0.76 0.00 -0.26 0.25 -0.21 0.00 0.00 178.00 178.54 3i3a n THR 6 N -4.00 0.20 -2.18 -1.15 -2.24 -1.26 -4.88 114.28 98.76 3i3a n THR 6 Ca 0.11 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 3i3a n THR 6 Cb 0.73 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 3i3a n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3a s ALA 7 N -3.06 3.39 -0.42 6.98 0.00 -0.47 -3.97 121.76 124.22 3i3a s ALA 7 Ca 0.11 1.16 -0.08 0.00 0.00 0.00 0.00 51.96 53.14 3i3a s ALA 7 Cb 0.16 -3.44 0.09 0.00 0.00 0.00 0.00 23.12 19.92 3i3a s ALA 7 CO 0.63 -0.59 0.26 0.42 0.00 0.00 0.00 175.76 176.48 3i3a s ILE 8 N -1.21 4.12 -0.13 0.00 1.01 0.12 -4.94 121.20 120.18 3i3a s ILE 8 Ca 0.51 -1.51 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3i3a s ILE 8 Cb -0.37 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3i3a s ILE 8 CO 0.48 -0.55 -0.19 -0.63 0.00 0.00 0.00 174.94 174.05 3i3a s ILE 9 N 1.39 1.84 0.20 2.92 1.01 -1.26 -0.33 121.20 126.97 3i3a s ILE 9 Ca 0.04 -0.84 -0.32 0.00 0.00 0.00 0.00 60.65 59.52 3i3a s ILE 9 Cb -0.23 -1.65 -0.12 0.00 0.01 0.00 0.00 42.46 40.47 3i3a s ILE 9 CO 0.01 0.51 1.68 -0.67 0.00 0.00 0.00 174.94 176.47 3i3a n ASP 10 N 4.16 3.77 0.29 3.58 -0.08 -0.68 -4.90 116.55 122.69 3i3a n ASP 10 Ca -0.20 1.07 0.18 0.00 -1.51 0.00 0.00 54.79 54.34 3i3a n ASP 10 Cb 0.51 -1.54 0.99 0.00 2.34 0.00 0.00 41.12 43.42 3i3a n ASP 10 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3i3a h PRO 11 N 6.42 0.00 -0.00 -0.67 0.11 -1.94 -1.63 132.00 134.29 3i3a h PRO 11 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i3a h PRO 11 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i3a h PRO 11 CO 0.93 0.00 -0.22 1.63 -0.21 0.00 0.00 178.00 180.13 3i3a n LYS 12 N -3.46 0.39 -2.39 1.05 4.76 -1.26 -4.87 118.16 112.38 3i3a n LYS 12 Ca -0.02 -0.17 -0.39 0.00 -2.87 0.00 0.00 58.31 54.87 3i3a n LYS 12 Cb 0.18 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 3i3a n LYS 12 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i3a s ALA 13 N -2.72 3.26 -0.45 7.82 0.00 -0.61 -4.55 121.76 124.50 3i3a s ALA 13 Ca 0.20 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 53.02 3i3a s ALA 13 Cb 0.19 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 20.08 3i3a s ALA 13 CO 0.56 -0.35 0.29 -1.21 0.00 0.00 0.00 175.76 175.04 3i3a s GLU 14 N -2.00 2.29 -0.18 0.00 2.02 0.62 -5.00 118.70 116.45 3i3a s GLU 14 Ca 0.52 -1.80 -0.04 0.00 0.02 0.00 0.00 54.97 53.68 3i3a s GLU 14 Cb -0.30 -3.79 -0.02 0.00 0.10 0.00 0.00 34.13 30.11 3i3a s GLU 14 CO 0.39 -1.15 -0.04 -0.51 0.02 0.00 0.00 175.26 173.97 3i3a s LEU 15 N 1.25 3.11 0.59 1.80 1.02 -1.26 -0.43 118.68 124.76 3i3a s LEU 15 Ca 0.07 -0.23 -0.20 0.00 0.02 0.00 0.00 54.13 53.79 3i3a s LEU 15 Cb -0.25 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.17 3i3a s LEU 15 CO -0.02 0.11 1.33 -2.28 0.02 0.00 0.00 176.35 175.51 3i3a s HIS 16 N 0.73 2.19 0.55 0.29 5.65 -0.59 -4.88 115.29 119.24 3i3a s HIS 16 Ca -0.02 1.42 0.25 0.00 0.25 0.00 0.00 55.06 56.97 3i3a s HIS 16 Cb -0.15 -3.76 1.45 0.00 -1.18 0.00 0.00 32.58 28.94 3i3a s HIS 16 CO 0.02 -2.92 2.02 1.05 -0.65 0.00 0.00 174.74 174.26 3i3a h GLU 17 N 1.06 0.00 0.00 2.88 -0.00 -1.95 -0.68 114.58 115.88 3i3a h GLU 17 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 3i3a h GLU 17 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.07 3i3a h GLU 17 CO 0.55 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.43 3i3a n SER 18 N -4.21 0.18 -4.71 3.06 3.41 -1.26 -4.16 113.62 105.92 3i3a n SER 18 Ca 0.07 0.52 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 3i3a n SER 18 Cb 0.51 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 3i3a n SER 18 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i3a s VAL 19 N -3.03 2.85 -0.11 -3.33 1.01 -0.27 -3.73 120.40 113.80 3i3a s VAL 19 Ca 0.12 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 3i3a s VAL 19 Cb 0.16 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3i3a s VAL 19 CO 0.51 0.04 0.02 -1.61 0.00 0.00 0.00 175.10 174.06 3i3a s GLU 20 N 1.26 3.23 -0.05 2.72 2.02 -1.03 -3.91 118.70 122.95 3i3a s GLU 20 Ca 0.69 -0.37 -0.01 0.00 0.02 0.00 0.00 54.97 55.29 3i3a s GLU 20 Cb -0.41 -2.91 0.03 0.00 0.10 0.00 0.00 34.13 30.94 3i3a s GLU 20 CO 0.31 0.61 0.03 0.08 0.02 0.00 0.00 175.26 176.32 3i3a s VAL 21 N -0.62 0.09 0.68 2.63 1.01 -0.82 -0.27 120.40 123.10 3i3a s VAL 21 Ca 0.11 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3i3a s VAL 21 Cb -0.12 -0.30 0.11 0.00 0.00 0.00 0.00 36.38 36.08 3i3a s VAL 21 CO 0.02 0.20 0.94 -0.83 0.00 0.00 0.00 175.10 175.44 3i3a s GLY 22 N 1.95 1.76 0.22 4.51 0.00 -0.18 -0.09 107.32 115.50 3i3a s GLY 22 Ca 0.03 -1.75 -0.31 0.00 0.00 0.00 0.00 44.72 42.69 3i3a s GLY 22 CO -0.04 -1.23 1.20 -1.55 0.00 0.00 0.00 173.10 171.48 3i3a n PRO 23 N -2.70 1.47 -1.87 2.90 -0.04 -1.26 -2.98 135.00 130.52 3i3a n PRO 23 Ca 0.14 0.52 -0.20 0.00 -0.04 0.00 0.00 63.50 63.92 3i3a n PRO 23 Cb 0.61 -2.03 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 3i3a n PRO 23 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i3a n TYR 24 N 1.27 -0.37 -3.02 0.54 4.02 -1.25 -1.25 117.16 117.10 3i3a n TYR 24 Ca 0.12 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.67 3i3a n TYR 24 Cb 0.29 -3.60 -0.06 0.00 -0.02 0.00 0.00 39.34 35.94 3i3a n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i3a s SER 25 N -2.50 6.97 -0.16 7.72 0.01 -1.16 -3.81 113.70 120.76 3i3a s SER 25 Ca 0.00 1.48 0.01 0.00 1.31 0.00 0.00 55.95 58.75 3i3a s SER 25 Cb 0.00 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.80 3i3a s SER 25 CO 0.00 -0.14 -0.20 -0.63 0.41 0.00 0.00 173.24 172.68 3i3a s ILE 26 N -1.83 2.02 -0.11 1.44 1.01 0.95 0.15 121.20 124.83 3i3a s ILE 26 Ca 0.52 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3i3a s ILE 26 Cb -0.13 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.53 3i3a s ILE 26 CO 0.19 0.54 -0.21 -0.63 0.00 0.00 0.00 174.94 174.82 3i3a s ILE 27 N 1.13 1.88 0.68 2.92 1.01 0.55 -0.41 121.20 128.96 3i3a s ILE 27 Ca 0.01 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.79 3i3a s ILE 27 Cb -0.14 -1.65 0.12 0.00 0.01 0.00 0.00 42.46 40.80 3i3a s ILE 27 CO -0.09 0.52 0.94 -1.61 0.00 0.00 0.00 174.94 174.70 3i3a s GLU 28 N 0.56 1.83 0.86 2.79 2.02 -0.21 -1.69 118.70 124.87 3i3a s GLU 28 Ca -0.14 -1.35 -0.12 0.00 0.02 0.00 0.00 54.97 53.38 3i3a s GLU 28 Cb -0.17 -2.44 0.11 0.00 0.10 0.00 0.00 34.13 31.74 3i3a s GLU 28 CO 0.05 -1.30 1.11 0.20 0.02 0.00 0.00 175.26 175.34 3i3a s GLY 29 N -4.74 1.60 -1.32 -1.39 0.00 -1.26 -4.08 107.32 96.13 3i3a s GLY 29 Ca 0.65 -0.29 -0.09 0.00 0.00 0.00 0.00 44.72 45.00 3i3a s GLY 29 CO 0.43 0.20 1.16 0.70 0.00 0.00 0.00 173.10 175.58 3i3a n ASN 30 N -3.67 -6.19 -4.17 1.64 4.13 -1.26 -3.85 115.26 101.90 3i3a n ASN 30 Ca 0.07 -0.53 -0.28 0.00 1.68 0.00 0.00 54.58 55.52 3i3a n ASN 30 Cb 0.57 -4.94 -0.16 0.00 -1.54 0.00 0.00 39.78 33.71 3i3a n ASN 30 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3i3a s VAL 31 N -3.31 1.64 0.01 2.41 1.01 -1.26 -0.65 120.40 120.25 3i3a s VAL 31 Ca 0.56 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.79 3i3a s VAL 31 Cb -0.25 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3i3a s VAL 31 CO 0.71 0.47 -0.21 -0.94 0.00 0.00 0.00 175.10 175.13 3i3a s SER 32 N 0.11 2.47 -0.06 3.32 1.04 -0.63 -0.28 113.70 119.67 3i3a s SER 32 Ca -0.07 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 3i3a s SER 32 Cb -0.14 -0.25 0.04 0.00 0.10 0.00 0.00 66.02 65.77 3i3a s SER 32 CO 0.04 0.22 0.08 -0.63 0.98 0.00 0.00 173.24 173.93 3i3a s ILE 33 N -0.61 -0.14 0.86 -1.02 1.01 0.43 -0.75 121.20 120.98 3i3a s ILE 33 Ca 0.08 0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 3i3a s ILE 33 Cb -0.08 -0.21 0.15 0.00 0.01 0.00 0.00 42.46 42.33 3i3a s ILE 33 CO 0.00 0.14 1.19 -1.10 0.00 0.00 0.00 174.94 175.17 3i3a s GLN 34 N 2.19 1.23 0.56 2.79 -0.21 -0.79 -1.54 119.66 123.89 3i3a s GLN 34 Ca 0.04 -0.48 -0.20 0.00 0.02 0.00 0.00 55.36 54.74 3i3a s GLN 34 Cb -0.12 -2.01 -0.05 0.00 1.00 0.00 0.00 33.01 31.83 3i3a s GLN 34 CO -0.04 -1.95 1.10 -0.85 -2.12 0.00 0.00 175.29 171.43 3i3a n GLU 35 N -3.40 1.21 0.00 2.91 0.28 -1.26 -3.50 120.64 116.87 3i3a n GLU 35 Ca 0.13 0.45 0.00 0.00 -0.16 0.00 0.00 57.16 57.59 3i3a n GLU 35 Cb 0.60 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 31.18 3i3a n GLU 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i3a n GLY 36 N 1.10 2.70 3.72 -1.84 0.00 -1.26 -1.17 105.19 108.43 3i3a n GLY 36 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3i3a n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3a s THR 37 N -2.27 3.12 -0.10 2.61 2.01 -1.23 -4.19 115.64 115.60 3i3a s THR 37 Ca 0.00 0.81 0.03 0.00 0.31 0.00 0.00 61.69 62.84 3i3a s THR 37 Cb 0.00 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.98 3i3a s THR 37 CO 0.00 0.07 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.18 3i3a s ILE 38 N 1.01 2.54 -0.10 1.82 1.01 0.59 -2.45 121.20 125.63 3i3a s ILE 38 Ca 0.65 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3i3a s ILE 38 Cb -0.39 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.08 3i3a s ILE 38 CO 0.31 0.55 -0.21 -0.63 0.00 0.00 0.00 174.94 174.96 3i3a s ILE 39 N 0.17 1.86 0.00 2.92 1.01 0.63 -1.08 121.20 126.71 3i3a s ILE 39 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3i3a s ILE 39 Cb -0.16 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.68 3i3a s ILE 39 CO 0.06 0.51 0.00 -0.62 0.00 0.00 0.00 174.94 174.89 3i3a n GLU 40 N 3.75 2.99 -2.17 2.79 1.02 -0.30 -1.01 120.64 127.71 3i3a n GLU 40 Ca -0.20 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.62 3i3a n GLU 40 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.93 3i3a n GLU 40 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i3a s GLY 41 N -0.25 1.98 -1.55 0.62 0.00 -1.26 -2.62 107.32 104.24 3i3a s GLY 41 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.89 3i3a s GLY 41 CO 0.00 0.46 0.00 1.42 0.00 0.00 0.00 173.10 174.98 3i3a n HIS 42 N -1.99 -0.60 -3.16 1.90 8.25 -0.38 -2.08 115.22 117.15 3i3a n HIS 42 Ca 0.07 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.16 3i3a n HIS 42 Cb 0.54 -3.00 -0.06 0.00 1.12 0.00 0.00 29.99 28.59 3i3a n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i3a s VAL 43 N -2.49 4.62 -0.17 1.59 1.01 -1.26 -3.42 120.40 120.29 3i3a s VAL 43 Ca 0.00 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.27 3i3a s VAL 43 Cb 0.00 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3i3a s VAL 43 CO 0.00 0.36 -0.20 -0.75 0.00 0.00 0.00 175.10 174.50 3i3a s LYS 44 N -1.61 3.01 -0.26 2.72 2.20 -0.48 -0.04 119.74 125.28 3i3a s LYS 44 Ca 0.37 -0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 3i3a s LYS 44 Cb -0.18 -2.53 0.03 0.00 -1.51 0.00 0.00 37.83 33.64 3i3a s LYS 44 CO 0.21 -0.14 -0.05 0.42 -0.36 0.00 0.00 175.35 175.43 3i3a s ILE 45 N 1.13 2.88 0.50 5.43 -1.09 0.45 -0.34 121.20 130.16 3i3a s ILE 45 Ca 0.01 -1.14 0.01 0.00 -2.23 0.00 0.00 60.65 57.30 3i3a s ILE 45 Cb -0.14 -2.52 0.02 0.00 -1.58 0.00 0.00 42.46 38.23 3i3a s ILE 45 CO -0.09 0.11 0.72 0.00 -1.23 0.00 0.00 174.94 174.44 3i3a n ALA 47 N -2.20 2.27 0.00 0.00 0.00 -1.25 -2.58 120.51 116.75 3i3a n ALA 47 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3i3a n ALA 47 Cb 0.59 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3i3a n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3a n GLY 48 N 1.53 0.32 3.67 0.00 0.00 0.18 -4.84 105.19 106.04 3i3a n GLY 48 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3i3a n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i3a s SER 49 N -2.60 7.02 -0.30 1.61 0.01 -1.07 -1.87 113.70 116.50 3i3a s SER 49 Ca 0.00 1.26 0.02 0.00 1.31 0.00 0.00 55.95 58.54 3i3a s SER 49 Cb 0.00 -2.49 0.07 0.00 0.21 0.00 0.00 66.02 63.82 3i3a s SER 49 CO 0.00 -0.47 -0.02 -1.61 0.41 0.00 0.00 173.24 171.55 3i3a s GLU 50 N 2.42 2.02 -0.10 12.44 2.02 0.69 -1.60 118.70 136.59 3i3a s GLU 50 Ca 0.41 -1.54 0.01 0.00 0.02 0.00 0.00 54.97 53.87 3i3a s GLU 50 Cb -0.16 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 3i3a s GLU 50 CO 0.11 -0.73 -0.11 0.42 0.02 0.00 0.00 175.26 174.98 3i3a s ILE 51 N 1.07 3.33 0.00 -1.63 1.01 0.07 -0.55 121.20 124.50 3i3a s ILE 51 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3i3a s ILE 51 Cb -0.20 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3i3a s ILE 51 CO -0.05 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3i3a n GLY 52 N 2.91 1.13 3.89 6.18 0.00 -0.24 -1.89 105.19 117.15 3i3a n GLY 52 Ca -0.18 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 3i3a n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3a s LYS 53 N 1.33 3.64 -1.53 1.61 1.02 -1.25 -3.17 119.74 121.39 3i3a s LYS 53 Ca 0.00 -0.03 -0.05 0.00 0.02 0.00 0.00 55.97 55.91 3i3a s LYS 53 Cb 0.00 -2.98 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 3i3a s LYS 53 CO 0.00 0.56 0.55 1.19 -0.92 0.00 0.00 175.35 176.73 3i3a n PHE 54 N 0.67 -1.88 -2.90 3.18 3.01 -0.32 -0.54 117.46 118.68 3i3a n PHE 54 Ca -0.07 0.48 -0.26 0.00 1.01 0.00 0.00 57.45 58.60 3i3a n PHE 54 Cb 0.52 -4.24 -0.01 0.00 -0.01 0.00 0.00 39.48 35.74 3i3a n PHE 54 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i3a s ASN 55 N -2.65 6.28 -0.03 4.37 0.01 -1.26 -3.52 114.94 118.13 3i3a s ASN 55 Ca 0.29 0.77 0.03 0.00 -0.71 0.00 0.00 52.86 53.25 3i3a s ASN 55 Cb -0.13 -2.18 -0.00 0.00 0.41 0.00 0.00 41.25 39.35 3i3a s ASN 55 CO 0.36 -0.48 -0.13 -0.60 -1.51 0.00 0.00 177.10 174.74 3i3a s ARG 56 N -4.57 1.41 -0.28 -0.60 3.52 -0.30 -0.30 118.95 117.82 3i3a s ARG 56 Ca 0.45 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 3i3a s ARG 56 Cb -0.10 -1.25 0.07 0.00 -1.56 0.00 0.00 34.95 32.10 3i3a s ARG 56 CO 0.42 0.19 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.96 3i3a s PHE 57 N 0.10 3.38 0.75 5.12 0.40 -0.24 -0.51 117.98 126.98 3i3a s PHE 57 Ca -0.03 -2.48 -0.11 0.00 -0.60 0.00 0.00 56.93 53.70 3i3a s PHE 57 Cb -0.10 -2.16 0.04 0.00 0.51 0.00 0.00 43.02 41.31 3i3a s PHE 57 CO 0.01 -0.90 1.08 -1.01 0.70 0.00 0.00 175.22 175.11 3i3a s HIS 58 N 1.06 2.95 -0.24 0.36 3.76 0.93 -1.15 115.29 122.95 3i3a s HIS 58 Ca -0.04 1.29 -0.43 0.00 -0.15 0.00 0.00 55.06 55.73 3i3a s HIS 58 Cb -0.20 -3.00 -0.20 0.00 1.11 0.00 0.00 32.58 30.29 3i3a s HIS 58 CO -0.06 -1.53 1.37 0.94 -0.85 0.00 0.00 174.74 174.61 3i3a n GLN 59 N -3.30 0.13 -0.66 1.40 7.27 -1.26 -2.06 117.38 118.91 3i3a n GLN 59 Ca 0.07 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.19 3i3a n GLN 59 Cb 0.55 -1.57 0.00 0.00 2.41 0.00 0.00 30.24 31.63 3i3a n GLN 59 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i3a n GLY 60 N 2.87 1.06 3.76 1.69 0.00 -0.88 -2.48 105.19 111.21 3i3a n GLY 60 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3i3a n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3a s ALA 61 N -3.41 3.53 -0.10 4.61 0.00 -0.87 -3.73 121.76 121.78 3i3a s ALA 61 Ca 0.00 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.25 3i3a s ALA 61 Cb 0.00 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 3i3a s ALA 61 CO 0.00 -0.65 -0.21 0.14 0.00 0.00 0.00 175.76 175.04 3i3a s VAL 62 N -0.72 2.31 -0.12 0.00 -7.23 -0.26 -1.38 120.40 113.00 3i3a s VAL 62 Ca 0.52 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 3i3a s VAL 62 Cb -0.40 -1.90 0.02 0.00 0.56 0.00 0.00 36.38 34.66 3i3a s VAL 62 CO 0.49 0.55 -0.12 -0.63 -0.31 0.00 0.00 175.10 175.08 3i3a s ILE 63 N 0.29 1.32 0.00 -0.62 -1.09 0.54 -1.13 121.20 120.52 3i3a s ILE 63 Ca -0.16 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 3i3a s ILE 63 Cb -0.17 -1.26 0.00 0.00 -1.58 0.00 0.00 42.46 39.45 3i3a s ILE 63 CO 0.08 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 3i3a n GLY 64 N 4.58 0.39 3.69 6.18 0.00 0.61 -0.68 105.19 119.96 3i3a n GLY 64 Ca -0.17 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 3i3a n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i3a s VAL 65 N -2.00 2.52 0.35 1.61 -7.23 -1.15 -4.37 120.40 110.13 3i3a s VAL 65 Ca 0.00 0.17 -0.28 0.00 -1.81 0.00 0.00 61.98 60.05 3i3a s VAL 65 Cb 0.00 -2.57 -0.11 0.00 0.56 0.00 0.00 36.38 34.26 3i3a s VAL 65 CO 0.00 -0.22 1.47 0.23 -0.31 0.00 0.00 175.10 176.27 3i3a n MET 66 N -4.04 2.57 -1.62 4.82 2.81 -1.26 -2.51 117.12 117.89 3i3a n MET 66 Ca 0.07 0.90 -0.42 0.00 -1.81 0.00 0.00 57.70 56.44 3i3a n MET 66 Cb 0.55 -2.62 0.00 0.00 -0.71 0.00 0.00 33.22 30.45 3i3a n MET 66 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3i3a n PRO 67 N 0.78 1.44 -2.59 0.03 -0.02 -1.26 -4.82 135.00 128.57 3i3a n PRO 67 Ca 0.03 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 3i3a n PRO 67 Cb 0.38 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3i3a n PRO 67 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i3a n GLN 68 N 0.29 3.41 -3.61 -0.52 6.02 -1.26 -4.83 117.38 116.87 3i3a n GLN 68 Ca 0.09 -3.57 -0.15 0.00 -0.01 0.00 0.00 57.00 53.36 3i3a n GLN 68 Cb 0.38 -3.06 -0.13 0.00 1.02 0.00 0.00 30.24 28.44 3i3a n GLN 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3i3a s ASP 69 N 2.24 0.61 0.49 1.08 3.68 -1.26 -5.00 116.67 118.52 3i3a s ASP 69 Ca 0.43 0.37 0.26 0.00 2.13 0.00 0.00 52.55 55.74 3i3a s ASP 69 Cb 0.04 0.61 1.22 0.00 -1.45 0.00 0.00 42.92 43.34 3i3a s ASP 69 CO 0.00 -0.26 1.96 -0.07 0.13 0.00 0.00 175.17 176.94 3i3a h LEU 70 N 8.30 0.00 -1.06 -1.34 3.38 -2.04 -3.00 115.31 119.55 3i3a h LEU 70 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3i3a h LEU 70 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3i3a h LEU 70 CO 0.17 0.17 -0.04 0.61 0.09 0.00 0.00 178.44 179.44 3i3a n GLY 71 N -0.31 0.09 3.73 0.83 0.00 -1.26 -4.93 105.19 103.34 3i3a n GLY 71 Ca -0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3i3a n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i3a s PHE 72 N -2.07 3.52 -0.50 1.61 5.36 -1.13 -5.00 117.98 119.77 3i3a s PHE 72 Ca 0.34 1.51 -0.26 0.00 -0.96 0.00 0.00 56.93 57.56 3i3a s PHE 72 Cb 0.21 -3.34 0.03 0.00 -0.34 0.00 0.00 43.02 39.58 3i3a s PHE 72 CO 0.36 -0.87 0.98 1.21 -1.46 0.00 0.00 175.22 175.44 3i3a s ASN 73 N 0.15 6.46 0.00 6.13 3.84 -1.26 -4.92 114.94 125.34 3i3a s ASN 73 Ca 0.52 0.03 0.19 0.00 0.21 0.00 0.00 52.86 53.81 3i3a s ASN 73 Cb -0.30 -2.47 1.00 0.00 -0.55 0.00 0.00 41.25 38.92 3i3a s ASN 73 CO 0.34 -1.17 1.60 0.00 -2.79 0.00 0.00 177.10 175.08 3i3a n GLN 74 N 7.47 0.30 -0.19 0.43 6.02 -1.26 -1.91 117.38 128.25 3i3a n GLN 74 Ca 0.06 0.10 0.07 0.00 -0.01 0.00 0.00 57.00 57.21 3i3a n GLN 74 Cb 0.48 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.44 3i3a n GLN 74 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i3a n GLN 75 N -1.27 1.90 -3.38 -1.09 6.02 -1.26 -4.88 117.38 113.43 3i3a n GLN 75 Ca 0.10 -1.40 -0.38 0.00 -0.01 0.00 0.00 57.00 55.31 3i3a n GLN 75 Cb 0.15 -1.32 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 3i3a n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i3a s LEU 76 N -1.06 4.29 -0.93 1.08 1.43 -0.80 -5.02 118.68 117.67 3i3a s LEU 76 Ca 0.27 0.76 -0.24 0.00 -1.03 0.00 0.00 54.13 53.89 3i3a s LEU 76 Cb 0.14 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.78 3i3a s LEU 76 CO 0.19 0.05 1.43 -0.22 0.23 0.00 0.00 176.35 178.03 3i3a s LEU 77 N 0.44 3.38 0.35 1.79 2.96 -1.26 -4.98 118.68 121.35 3i3a s LEU 77 Ca 0.24 -1.10 0.08 0.00 -0.22 0.00 0.00 54.13 53.13 3i3a s LEU 77 Cb -0.15 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 3i3a s LEU 77 CO 0.09 -1.67 0.18 0.42 -1.32 0.00 0.00 176.35 174.05 3i3a s THR 78 N 5.50 3.06 0.16 3.68 -4.23 -1.26 -4.65 115.64 117.89 3i3a s THR 78 Ca 0.44 -1.62 0.10 0.00 -1.18 0.00 0.00 61.69 59.43 3i3a s THR 78 Cb -0.03 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 3i3a s THR 78 CO -0.02 -0.16 -0.22 -0.54 -0.54 0.00 0.00 174.62 173.13 3i3a s LYS 79 N -3.89 1.35 -0.18 3.99 1.02 -1.26 -4.41 119.74 116.37 3i3a s LYS 79 Ca 0.39 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 55.00 3i3a s LYS 79 Cb -0.03 -1.62 0.03 0.00 -0.52 0.00 0.00 37.83 35.69 3i3a s LYS 79 CO 0.24 0.36 -0.15 0.99 -0.92 0.00 0.00 175.35 175.86 3i3a s THR 80 N -1.55 1.79 -0.29 2.17 2.01 -0.78 -1.49 115.64 117.49 3i3a s THR 80 Ca 0.15 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.19 3i3a s THR 80 Cb -0.08 -1.72 0.01 0.00 0.01 0.00 0.00 72.50 70.72 3i3a s THR 80 CO 0.07 0.38 0.07 -0.69 -0.69 0.00 0.00 174.62 173.77 3i3a s VAL 81 N 1.37 3.88 -0.11 3.82 1.01 0.56 -0.22 120.40 130.71 3i3a s VAL 81 Ca 0.03 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3i3a s VAL 81 Cb -0.14 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 3i3a s VAL 81 CO -0.10 0.07 -0.22 -0.63 0.00 0.00 0.00 175.10 174.21 3i3a s ILE 82 N 1.48 2.21 0.00 2.22 1.01 0.29 -0.25 121.20 128.16 3i3a s ILE 82 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.71 3i3a s ILE 82 Cb -0.17 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.44 3i3a s ILE 82 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.12 3i3a n GLY 83 N 3.62 0.91 3.67 6.18 0.00 -0.58 -1.08 105.19 117.91 3i3a n GLY 83 Ca -0.19 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 3i3a n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3a s ASP 84 N -1.00 4.91 -1.53 1.61 1.01 -1.24 -2.39 116.67 118.04 3i3a s ASP 84 Ca 0.00 -0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.00 3i3a s ASP 84 Cb 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 42.92 42.81 3i3a s ASP 84 CO 0.00 0.15 0.00 1.41 0.21 0.00 0.00 175.17 176.94 3i3a n HIS 85 N 0.34 -0.65 -3.21 4.23 8.25 0.30 -1.07 115.22 123.41 3i3a n HIS 85 Ca -0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 3i3a n HIS 85 Cb 0.53 -3.33 -0.03 0.00 1.12 0.00 0.00 29.99 28.28 3i3a n HIS 85 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3i3a s ASN 86 N -2.35 6.49 -0.08 0.41 0.01 -1.26 -3.47 114.94 114.69 3i3a s ASN 86 Ca 0.00 0.86 0.03 0.00 -0.71 0.00 0.00 52.86 53.04 3i3a s ASN 86 Cb 0.00 -2.20 0.01 0.00 0.41 0.00 0.00 41.25 39.46 3i3a s ASN 86 CO 0.00 -0.24 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.55 3i3a s ILE 87 N -2.14 1.50 -0.27 0.60 1.01 -0.73 -1.15 121.20 120.02 3i3a s ILE 87 Ca 0.46 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.44 3i3a s ILE 87 Cb -0.11 -1.33 0.06 0.00 0.01 0.00 0.00 42.46 41.09 3i3a s ILE 87 CO 0.29 0.44 -0.07 -0.36 0.00 0.00 0.00 174.94 175.24 3i3a s PHE 88 N 0.58 3.26 0.79 3.97 0.40 0.33 -0.91 117.98 126.40 3i3a s PHE 88 Ca -0.15 -2.15 -0.13 0.00 -0.60 0.00 0.00 56.93 53.89 3i3a s PHE 88 Cb -0.17 -2.00 0.18 0.00 0.51 0.00 0.00 43.02 41.55 3i3a s PHE 88 CO 0.05 -0.85 1.02 0.54 0.70 0.00 0.00 175.22 176.68 3i3a n ARG 89 N 4.50 -1.21 -1.68 0.44 5.12 0.98 -0.05 116.66 124.76 3i3a n ARG 89 Ca -0.14 -1.57 -0.43 0.00 -1.93 0.00 0.00 57.85 53.78 3i3a n ARG 89 Cb 0.43 -1.09 -0.03 0.00 -1.16 0.00 0.00 32.46 30.60 3i3a n ARG 89 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3i3a n GLU 90 N -3.30 2.79 -1.59 5.56 4.71 -1.26 -2.04 120.64 125.51 3i3a n GLU 90 Ca 0.13 1.02 -0.17 0.00 -0.01 0.00 0.00 57.16 58.13 3i3a n GLU 90 Cb 0.45 -2.94 -0.06 0.00 -1.01 0.00 0.00 31.44 27.88 3i3a n GLU 90 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3i3a n TYR 91 N 6.49 -0.10 -1.98 -0.32 4.02 -1.04 -1.67 117.16 122.55 3i3a n TYR 91 Ca 0.19 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.72 3i3a n TYR 91 Cb 0.38 -2.93 0.04 0.00 -0.02 0.00 0.00 39.34 36.81 3i3a n TYR 91 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3a s SER 92 N -2.75 5.12 -0.21 7.72 1.04 -0.86 -3.64 113.70 120.11 3i3a s SER 92 Ca 0.00 2.43 -0.04 0.00 0.48 0.00 0.00 55.95 58.81 3i3a s SER 92 Cb 0.00 -2.60 0.07 0.00 0.10 0.00 0.00 66.02 63.59 3i3a s SER 92 CO 0.00 -1.64 0.10 0.21 0.98 0.00 0.00 173.24 172.89 3i3a s ASN 93 N -1.55 2.80 -0.17 7.02 3.84 -0.06 -1.11 114.94 125.72 3i3a s ASN 93 Ca 0.78 -0.87 -0.01 0.00 0.21 0.00 0.00 52.86 52.97 3i3a s ASN 93 Cb -0.31 -0.32 -0.01 0.00 -0.55 0.00 0.00 41.25 40.05 3i3a s ASN 93 CO 0.34 -0.38 -0.11 -0.63 -2.79 0.00 0.00 177.10 173.54 3i3a s ILE 94 N 2.09 3.06 -0.01 -5.21 -1.09 -0.28 -1.70 121.20 118.06 3i3a s ILE 94 Ca 0.04 -0.63 -0.03 0.00 -2.23 0.00 0.00 60.65 57.80 3i3a s ILE 94 Cb -0.16 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 3i3a s ILE 94 CO -0.18 0.49 0.19 -1.00 -1.23 0.00 0.00 174.94 173.22 3i3a s HIS 95 N 0.84 3.55 0.82 3.97 3.76 -0.41 -0.29 115.29 127.53 3i3a s HIS 95 Ca -0.03 0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 55.15 3i3a s HIS 95 Cb -0.15 -1.85 0.12 0.00 1.11 0.00 0.00 32.58 31.82 3i3a s HIS 95 CO 0.01 0.64 1.16 -1.59 -0.85 0.00 0.00 174.74 174.11 3i3a s LYS 96 N -1.93 1.53 1.06 1.40 -2.85 -1.04 -4.42 119.74 113.48 3i3a s LYS 96 Ca 0.27 -0.33 -0.14 0.00 -1.00 0.00 0.00 55.97 54.77 3i3a s LYS 96 Cb -0.13 -2.03 0.22 0.00 -2.06 0.00 0.00 37.83 33.84 3i3a s LYS 96 CO 0.19 -1.76 1.09 0.20 0.10 0.00 0.00 175.35 175.17 3i3a s GLY 97 N -4.69 1.56 -0.00 0.59 0.00 -0.89 -3.95 107.32 99.94 3i3a s GLY 97 Ca 0.66 -0.50 0.15 0.00 0.00 0.00 0.00 44.72 45.03 3i3a s GLY 97 CO 0.49 0.18 0.58 -1.30 0.00 0.00 0.00 173.10 173.05 3i3a n THR 98 N -4.35 0.00 -4.31 0.90 -2.24 -1.20 -4.64 114.28 98.44 3i3a n THR 98 Ca 0.07 -0.18 -0.18 0.00 -2.27 0.00 0.00 64.05 61.48 3i3a n THR 98 Cb 0.58 0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 3i3a n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i3a s LYS 99 N -2.48 1.21 0.46 -0.78 1.02 -1.24 -4.81 119.74 113.12 3i3a s LYS 99 Ca 0.04 -1.46 0.16 0.00 0.02 0.00 0.00 55.97 54.73 3i3a s LYS 99 Cb 0.11 -1.05 1.07 0.00 -0.52 0.00 0.00 37.83 37.44 3i3a s LYS 99 CO 0.61 0.19 2.01 0.93 -0.92 0.00 0.00 175.35 178.16 3i3a h GLU 100 N 2.95 0.00 -0.67 1.68 5.08 -1.94 -2.08 114.58 119.60 3i3a h GLU 100 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3i3a h GLU 100 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3i3a h GLU 100 CO 0.57 0.17 0.00 -0.40 -1.00 0.00 0.00 179.01 178.35 3i3a n ASP 101 N -4.27 4.59 -3.54 1.42 5.75 -1.26 -4.77 116.55 114.47 3i3a n ASP 101 Ca -0.02 -2.36 -0.29 0.00 -0.01 0.00 0.00 54.79 52.11 3i3a n ASP 101 Cb 0.23 -0.57 -0.12 0.00 -1.03 0.00 0.00 41.12 39.64 3i3a n ASP 101 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3i3a s SER 102 N -0.90 2.91 0.71 -1.12 0.15 -0.78 -5.14 113.70 109.52 3i3a s SER 102 Ca 0.51 -2.61 -0.08 0.00 0.70 0.00 0.00 55.95 54.47 3i3a s SER 102 Cb 0.31 -0.65 0.05 0.00 -1.71 0.00 0.00 66.02 64.02 3i3a s SER 102 CO 0.26 -0.25 1.03 -2.16 1.20 0.00 0.00 173.24 173.32 3i3a s PRO 103 N 0.49 2.31 -0.01 5.44 0.04 -1.26 -3.25 135.00 138.77 3i3a s PRO 103 Ca 0.22 -0.10 -0.25 0.00 0.04 0.00 0.00 61.00 60.91 3i3a s PRO 103 Cb -0.16 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3i3a s PRO 103 CO -0.05 -1.21 0.76 0.99 0.04 0.00 0.00 177.00 177.53 3i3a s THR 104 N -3.28 4.90 -0.11 1.26 2.01 -0.56 -4.46 115.64 115.40 3i3a s THR 104 Ca 0.59 1.59 0.01 0.00 0.31 0.00 0.00 61.69 64.19 3i3a s THR 104 Cb -0.11 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.32 3i3a s THR 104 CO 0.46 0.29 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.88 3i3a s VAL 105 N 0.45 1.27 -0.07 3.82 1.01 -0.48 -0.33 120.40 126.08 3i3a s VAL 105 Ca 0.39 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3i3a s VAL 105 Cb -0.19 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 3i3a s VAL 105 CO 0.21 0.40 -0.21 -0.63 0.00 0.00 0.00 175.10 174.88 3i3a s ILE 106 N 1.33 1.76 0.00 2.22 1.01 0.66 -0.11 121.20 128.07 3i3a s ILE 106 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3i3a s ILE 106 Cb -0.14 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.82 3i3a s ILE 106 CO -0.05 0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.99 3i3a n GLY 107 N 3.29 0.89 3.44 6.18 0.00 -0.89 -1.52 105.19 116.58 3i3a n GLY 107 Ca -0.19 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 3i3a n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3a s ASN 108 N -1.00 3.60 -1.68 1.61 0.01 -1.25 -2.17 114.94 114.06 3i3a s ASN 108 Ca 0.00 -0.67 -0.01 0.00 -0.71 0.00 0.00 52.86 51.48 3i3a s ASN 108 Cb 0.00 -0.38 0.00 0.00 0.41 0.00 0.00 41.25 41.28 3i3a s ASN 108 CO 0.00 0.17 0.07 0.29 -1.51 0.00 0.00 177.10 176.12 3i3a n LYS 109 N 0.80 -1.96 -3.07 -0.60 5.02 -0.23 -0.97 118.16 117.15 3i3a n LYS 109 Ca -0.16 0.96 -0.28 0.00 -2.02 0.00 0.00 58.31 56.80 3i3a n LYS 109 Cb 0.53 -5.59 -0.02 0.00 -0.02 0.00 0.00 35.03 29.93 3i3a n LYS 109 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3i3a s ASN 110 N -2.17 6.41 -0.14 4.39 0.01 -1.26 -3.45 114.94 118.72 3i3a s ASN 110 Ca 0.03 0.83 -0.00 0.00 -0.71 0.00 0.00 52.86 53.02 3i3a s ASN 110 Cb -0.01 -2.20 0.03 0.00 0.41 0.00 0.00 41.25 39.48 3i3a s ASN 110 CO 0.04 -0.34 -0.09 -0.47 -1.51 0.00 0.00 177.10 174.73 3i3a s TYR 111 N -2.32 1.83 -0.34 2.20 6.14 -0.14 -1.77 117.35 122.95 3i3a s TYR 111 Ca 0.46 -1.05 -0.04 0.00 0.64 0.00 0.00 57.07 57.08 3i3a s TYR 111 Cb -0.10 -1.40 0.06 0.00 0.42 0.00 0.00 41.96 40.94 3i3a s TYR 111 CO 0.34 -0.61 0.09 -0.06 0.64 0.00 0.00 175.55 175.95 3i3a s PHE 112 N 1.59 3.34 0.91 4.97 0.40 -0.09 -0.79 117.98 128.32 3i3a s PHE 112 Ca 0.03 -1.85 -0.12 0.00 -0.60 0.00 0.00 56.93 54.39 3i3a s PHE 112 Cb -0.14 -2.47 0.14 0.00 0.51 0.00 0.00 43.02 41.06 3i3a s PHE 112 CO -0.09 -0.82 1.11 -1.64 0.70 0.00 0.00 175.22 174.48 3i3a s MET 113 N 1.28 1.16 0.31 0.44 -1.94 0.21 -0.02 119.30 120.75 3i3a s MET 113 Ca -0.01 0.48 -0.28 0.00 -1.71 0.00 0.00 55.69 54.18 3i3a s MET 113 Cb -0.21 -1.83 -0.13 0.00 2.01 0.00 0.00 34.83 34.68 3i3a s MET 113 CO -0.00 -2.22 1.10 0.41 -0.01 0.00 0.00 175.02 174.29 3i3a n GLY 114 N -1.77 0.01 2.97 -0.03 0.00 -1.26 -1.71 105.19 103.40 3i3a n GLY 114 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3i3a n GLY 114 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i3a n ASN 115 N 1.03 -4.36 -4.82 1.61 3.02 -0.67 -1.94 115.26 109.14 3i3a n ASN 115 Ca 0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.30 3i3a n ASN 115 Cb 0.34 -2.69 -0.05 0.00 -0.61 0.00 0.00 39.78 36.77 3i3a n ASN 115 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i3a s SER 116 N -2.04 6.69 -0.04 6.41 1.04 -0.69 -4.00 113.70 121.08 3i3a s SER 116 Ca 0.00 1.75 0.02 0.00 0.48 0.00 0.00 55.95 58.20 3i3a s SER 116 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.59 3i3a s SER 116 CO 0.00 -0.54 -0.07 -2.28 0.98 0.00 0.00 173.24 171.33 3i3a s HIS 117 N -2.19 0.89 -0.24 5.02 5.04 -0.46 -0.88 115.29 122.47 3i3a s HIS 117 Ca 0.63 -0.25 0.02 0.00 -1.54 0.00 0.00 55.06 53.93 3i3a s HIS 117 Cb -0.11 -0.69 0.05 0.00 0.04 0.00 0.00 32.58 31.87 3i3a s HIS 117 CO 0.18 -0.15 -0.12 0.08 -2.34 0.00 0.00 174.74 172.39 3i3a s VAL 118 N 0.51 2.10 1.07 0.89 1.01 -0.69 -1.02 120.40 124.27 3i3a s VAL 118 Ca -0.08 -1.48 -0.15 0.00 0.00 0.00 0.00 61.98 60.27 3i3a s VAL 118 Cb -0.11 -2.16 0.22 0.00 0.00 0.00 0.00 36.38 34.33 3i3a s VAL 118 CO 0.01 0.07 1.13 -0.83 0.00 0.00 0.00 175.10 175.47 3i3a s GLY 119 N 1.16 1.59 0.29 4.51 0.00 -0.53 -1.29 107.32 113.05 3i3a s GLY 119 Ca -0.06 -0.71 -0.30 0.00 0.00 0.00 0.00 44.72 43.65 3i3a s GLY 119 CO -0.07 0.02 1.44 -2.39 0.00 0.00 0.00 173.10 172.11 3i3a n HIS 120 N -4.33 2.46 -1.25 1.90 1.44 -1.26 -2.88 115.22 111.30 3i3a n HIS 120 Ca 0.09 0.41 -0.08 0.00 -2.01 0.00 0.00 57.72 56.13 3i3a n HIS 120 Cb 0.59 -2.49 -0.04 0.00 0.12 0.00 0.00 29.99 28.17 3i3a n HIS 120 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i3a n ASP 121 N 1.67 -4.60 -4.76 4.39 8.00 -1.25 -0.52 116.55 119.49 3i3a n ASP 121 Ca 0.08 0.21 -0.35 0.00 0.71 0.00 0.00 54.79 55.44 3i3a n ASP 121 Cb 0.35 -2.84 0.04 0.00 -0.02 0.00 0.00 41.12 38.64 3i3a n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3a s ILE 123 N -1.83 1.20 -0.06 0.00 -1.09 -0.14 -1.38 121.20 117.91 3i3a s ILE 123 Ca 0.74 -0.60 0.05 0.00 -2.23 0.00 0.00 60.65 58.61 3i3a s ILE 123 Cb -0.27 -1.31 -0.02 0.00 -1.58 0.00 0.00 42.46 39.29 3i3a s ILE 123 CO 0.35 0.22 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.31 3i3a s LEU 124 N 1.61 2.31 0.00 2.97 1.02 0.84 -0.17 118.68 127.26 3i3a s LEU 124 Ca 0.02 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.77 3i3a s LEU 124 Cb -0.15 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.62 3i3a s LEU 124 CO -0.08 0.28 0.00 0.61 0.02 0.00 0.00 176.35 177.18 3i3a n GLY 125 N 2.74 0.88 3.52 -3.19 0.00 -0.76 -2.08 105.19 106.29 3i3a n GLY 125 Ca -0.17 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 3i3a n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3a s ASN 126 N -1.00 3.97 -1.79 1.61 0.01 -1.23 -2.10 114.94 114.41 3i3a s ASN 126 Ca 0.00 -0.63 0.00 0.00 -0.71 0.00 0.00 52.86 51.52 3i3a s ASN 126 Cb 0.00 -0.57 0.00 0.00 0.41 0.00 0.00 41.25 41.09 3i3a s ASN 126 CO 0.00 0.13 0.00 0.59 -1.51 0.00 0.00 177.10 176.31 3i3a n ASN 127 N 0.31 -5.20 -4.85 -1.22 3.02 -0.15 -0.70 115.26 106.46 3i3a n ASN 127 Ca -0.12 0.29 -0.32 0.00 -0.03 0.00 0.00 54.58 54.40 3i3a n ASN 127 Cb 0.55 -4.29 -0.05 0.00 -0.61 0.00 0.00 39.78 35.38 3i3a n ASN 127 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i3a s ASN 128 N -2.60 6.70 -0.11 6.41 0.01 -1.26 -3.66 114.94 120.43 3i3a s ASN 128 Ca 0.00 1.27 0.03 0.00 -0.71 0.00 0.00 52.86 53.45 3i3a s ASN 128 Cb 0.00 -2.37 0.01 0.00 0.41 0.00 0.00 41.25 39.30 3i3a s ASN 128 CO 0.00 -0.28 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.47 3i3a s ILE 129 N -2.13 1.83 -0.38 0.60 1.01 -0.14 -0.97 121.20 121.03 3i3a s ILE 129 Ca 0.54 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 3i3a s ILE 129 Cb -0.10 -1.62 0.08 0.00 0.01 0.00 0.00 42.46 40.83 3i3a s ILE 129 CO 0.22 0.51 0.17 -0.22 0.00 0.00 0.00 174.94 175.61 3i3a s LEU 130 N 0.66 4.83 0.93 2.97 2.96 0.03 -1.07 118.68 130.00 3i3a s LEU 130 Ca -0.12 -1.59 -0.13 0.00 -0.22 0.00 0.00 54.13 52.07 3i3a s LEU 130 Cb -0.16 -1.87 0.15 0.00 0.50 0.00 0.00 46.19 44.81 3i3a s LEU 130 CO 0.03 -0.46 1.14 -0.89 -1.32 0.00 0.00 176.35 174.85 3i3a s THR 131 N 1.29 1.98 0.02 3.68 2.01 -0.06 -0.62 115.64 123.95 3i3a s THR 131 Ca 0.02 0.00 -0.35 0.00 0.31 0.00 0.00 61.69 61.67 3i3a s THR 131 Cb -0.22 -2.74 -0.14 0.00 0.01 0.00 0.00 72.50 69.41 3i3a s THR 131 CO -0.01 0.00 1.63 1.57 -0.69 0.00 0.00 174.62 177.12 3i3a n HIS 132 N -3.83 2.09 -0.91 4.92 -0.00 -1.26 -2.13 115.22 114.10 3i3a n HIS 132 Ca 0.07 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.56 3i3a n HIS 132 Cb 0.59 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 27.94 3i3a n HIS 132 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i3a n GLY 133 N 3.59 0.68 3.77 1.57 0.00 -0.82 -1.92 105.19 112.07 3i3a n GLY 133 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3i3a n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3a s ALA 134 N -2.96 3.24 -0.09 4.61 0.00 -0.91 -4.15 121.76 121.51 3i3a s ALA 134 Ca 0.00 0.82 0.02 0.00 0.00 0.00 0.00 51.96 52.80 3i3a s ALA 134 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 3i3a s ALA 134 CO 0.00 -0.22 -0.15 0.14 0.00 0.00 0.00 175.76 175.52 3i3a s VAL 135 N -1.40 1.43 -0.20 0.00 -7.23 0.17 -1.35 120.40 111.81 3i3a s VAL 135 Ca 0.52 -0.63 -0.08 0.00 -1.81 0.00 0.00 61.98 59.97 3i3a s VAL 135 Cb -0.28 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 3i3a s VAL 135 CO 0.35 0.42 0.09 -0.76 -0.31 0.00 0.00 175.10 174.90 3i3a s LEU 136 N 0.75 3.91 1.23 1.32 1.43 -0.19 -1.68 118.68 125.45 3i3a s LEU 136 Ca -0.12 0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 3i3a s LEU 136 Cb -0.16 -2.01 0.29 0.00 0.03 0.00 0.00 46.19 44.35 3i3a s LEU 136 CO 0.03 0.14 1.04 0.00 0.23 0.00 0.00 176.35 177.79 3i3a s ALA 137 N 0.60 0.10 0.83 4.21 0.00 -0.71 -1.45 121.76 125.35 3i3a s ALA 137 Ca 0.05 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.17 3i3a s ALA 137 Cb -0.13 -2.99 0.08 0.00 0.00 0.00 0.00 23.12 20.09 3i3a s ALA 137 CO 0.01 -3.80 1.11 0.41 0.00 0.00 0.00 175.76 173.48 3i3a n GLY 138 N -0.08 -0.27 3.65 0.00 0.00 -1.26 -3.60 105.19 103.63 3i3a n GLY 138 Ca 0.10 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 3i3a n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i3a n HIS 139 N -3.40 -2.40 -3.88 1.61 8.25 0.32 -3.71 115.22 112.02 3i3a n HIS 139 Ca 0.13 0.85 -0.35 0.00 -0.26 0.00 0.00 57.72 58.09 3i3a n HIS 139 Cb 0.51 -4.29 -0.05 0.00 1.12 0.00 0.00 29.99 27.28 3i3a n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i3a s VAL 140 N -3.25 5.45 -0.12 1.59 1.01 -1.24 -0.49 120.40 123.34 3i3a s VAL 140 Ca 0.57 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.56 3i3a s VAL 140 Cb -0.27 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3i3a s VAL 140 CO 0.71 0.42 -0.17 -0.89 0.00 0.00 0.00 175.10 175.17 3i3a s THR 141 N -1.23 1.66 0.04 3.92 2.01 -0.82 -0.96 115.64 120.27 3i3a s THR 141 Ca 0.23 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.53 3i3a s THR 141 Cb -0.12 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 3i3a s THR 141 CO 0.14 0.47 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.74 3i3a s LEU 142 N 0.98 3.30 0.00 4.42 1.02 0.76 0.31 118.68 129.47 3i3a s LEU 142 Ca -0.06 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 53.93 3i3a s LEU 142 Cb -0.15 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.09 3i3a s LEU 142 CO -0.02 0.24 0.00 0.61 0.02 0.00 0.00 176.35 177.19 3i3a n GLY 143 N 1.12 0.83 3.46 -3.19 0.00 -0.35 -2.13 105.19 104.94 3i3a n GLY 143 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3i3a n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3a s ASN 144 N -1.00 3.79 -1.43 1.61 0.01 -1.26 -1.82 114.94 114.84 3i3a s ASN 144 Ca 0.00 -0.52 -0.04 0.00 -0.71 0.00 0.00 52.86 51.59 3i3a s ASN 144 Cb 0.00 -0.54 0.02 0.00 0.41 0.00 0.00 41.25 41.14 3i3a s ASN 144 CO 0.00 0.21 0.37 0.49 -1.51 0.00 0.00 177.10 176.66 3i3a n PHE 145 N 1.14 -1.67 -3.17 2.20 3.72 0.12 -1.69 117.46 118.11 3i3a n PHE 145 Ca -0.16 0.33 -0.36 0.00 -0.05 0.00 0.00 57.45 57.21 3i3a n PHE 145 Cb 0.52 -3.69 -0.06 0.00 -0.94 0.00 0.00 39.48 35.31 3i3a n PHE 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3a s ALA 146 N -2.99 3.45 -0.24 4.37 0.00 -1.26 -2.84 121.76 122.25 3i3a s ALA 146 Ca 0.22 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3i3a s ALA 146 Cb -0.11 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.32 3i3a s ALA 146 CO 0.28 0.36 -0.11 0.12 0.00 0.00 0.00 175.76 176.40 3i3a s PHE 147 N -1.53 3.13 -0.29 0.00 5.36 -0.25 -0.96 117.98 123.43 3i3a s PHE 147 Ca 0.42 -2.04 -0.09 0.00 -0.96 0.00 0.00 56.93 54.26 3i3a s PHE 147 Cb -0.16 -1.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.54 3i3a s PHE 147 CO 0.20 -0.84 0.14 0.42 -1.46 0.00 0.00 175.22 173.68 3i3a s ILE 148 N 1.19 4.61 0.54 3.12 -1.09 -0.23 -0.89 121.20 128.44 3i3a s ILE 148 Ca -0.04 -0.31 -0.09 0.00 -2.23 0.00 0.00 60.65 57.98 3i3a s ILE 148 Cb -0.18 -3.29 0.13 0.00 -1.58 0.00 0.00 42.46 37.53 3i3a s ILE 148 CO -0.06 0.14 0.61 -0.24 -1.23 0.00 0.00 174.94 174.16 3i3a n SER 149 N 4.98 -0.62 -4.77 3.58 2.88 -0.06 -0.88 113.62 118.73 3i3a n SER 149 Ca -0.14 -1.07 -0.39 0.00 -1.33 0.00 0.00 58.87 55.94 3i3a n SER 149 Cb 0.50 -0.50 -0.03 0.00 -0.75 0.00 0.00 64.21 63.42 3i3a n SER 149 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3i3a s GLY 150 N -4.04 2.96 -1.42 0.46 0.00 -1.26 -3.64 107.32 100.38 3i3a s GLY 150 Ca 0.37 0.93 -0.00 0.00 0.00 0.00 0.00 44.72 46.01 3i3a s GLY 150 CO 0.27 1.49 0.04 1.04 0.00 0.00 0.00 173.10 175.94 3i3a n LEU 151 N 0.68 -1.60 -4.79 0.66 4.77 -0.81 -0.54 117.00 115.38 3i3a n LEU 151 Ca 0.01 0.06 -0.37 0.00 -0.03 0.00 0.00 56.01 55.68 3i3a n LEU 151 Cb 0.46 -2.55 -0.06 0.00 -2.33 0.00 0.00 43.42 38.93 3i3a n LEU 151 CO 0.52 -0.14 0.62 -0.69 -1.33 0.00 0.00 177.39 176.37 3i3a s VAL 152 N -2.85 4.26 -0.13 4.08 1.01 -1.24 -3.63 120.40 121.91 3i3a s VAL 152 Ca 0.03 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.78 3i3a s VAL 152 Cb -0.01 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.40 3i3a s VAL 152 CO 0.03 0.13 -0.20 0.00 0.00 0.00 0.00 175.10 175.05 3i3a s ALA 153 N -1.64 2.08 -0.17 5.51 0.00 -0.73 -0.66 121.76 126.16 3i3a s ALA 153 Ca 0.50 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 3i3a s ALA 153 Cb -0.18 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 3i3a s ALA 153 CO 0.23 -0.01 -0.05 0.08 0.00 0.00 0.00 175.76 176.01 3i3a s VAL 154 N 0.81 3.68 0.42 0.00 1.01 -0.67 -0.56 120.40 125.09 3i3a s VAL 154 Ca -0.08 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3i3a s VAL 154 Cb -0.16 -2.62 -0.08 0.00 0.00 0.00 0.00 36.38 33.52 3i3a s VAL 154 CO -0.01 0.48 1.16 -2.28 0.00 0.00 0.00 175.10 174.45 3i3a s HIS 155 N 0.63 3.01 0.35 5.22 2.46 0.16 -1.73 115.29 125.39 3i3a s HIS 155 Ca -0.03 1.55 -0.26 0.00 0.47 0.00 0.00 55.06 56.79 3i3a s HIS 155 Cb -0.15 -3.37 -0.13 0.00 -0.13 0.00 0.00 32.58 28.81 3i3a s HIS 155 CO 0.02 -1.33 0.96 0.00 -2.47 0.00 0.00 174.74 171.93 3i3a n GLN 156 N -0.14 1.28 -1.04 2.88 0.00 -1.26 -2.49 117.38 116.60 3i3a n GLN 156 Ca 0.05 0.45 -0.02 0.00 0.00 0.00 0.00 57.00 57.49 3i3a n GLN 156 Cb 0.47 -1.88 -0.01 0.00 0.00 0.00 0.00 30.24 28.82 3i3a n GLN 156 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3i3a n PHE 157 N -0.14 0.00 -3.08 2.61 3.72 0.36 -4.97 117.46 115.96 3i3a n PHE 157 Ca 0.10 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.16 3i3a n PHE 157 Cb 0.35 -0.91 -0.06 0.00 -0.94 0.00 0.00 39.48 37.92 3i3a n PHE 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3a s PHE 159 N -1.94 2.84 -0.22 0.00 0.40 -1.26 -1.93 117.98 115.87 3i3a s PHE 159 Ca 0.54 -0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.82 3i3a s PHE 159 Cb -0.11 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.81 3i3a s PHE 159 CO 0.17 0.31 -0.15 0.08 0.70 0.00 0.00 175.22 176.34 3i3a s VAL 160 N -0.87 2.22 0.73 -0.44 1.01 0.15 -1.47 120.40 121.74 3i3a s VAL 160 Ca 0.14 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 3i3a s VAL 160 Cb -0.11 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3i3a s VAL 160 CO 0.04 0.29 1.09 -0.83 0.00 0.00 0.00 175.10 175.68 3i3a s GLY 161 N 1.23 1.82 0.39 4.51 0.00 0.05 -1.21 107.32 114.11 3i3a s GLY 161 Ca -0.01 0.32 -0.25 0.00 0.00 0.00 0.00 44.72 44.78 3i3a s GLY 161 CO -0.09 0.66 1.08 1.22 0.00 0.00 0.00 173.10 175.97 3i3a n ASP 162 N -3.13 1.62 -2.32 1.64 8.00 -1.26 -3.09 116.55 118.01 3i3a n ASP 162 Ca 0.09 1.09 -0.21 0.00 0.71 0.00 0.00 54.79 56.47 3i3a n ASP 162 Cb 0.53 -1.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.23 3i3a n ASP 162 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i3a n TYR 163 N -0.25 -0.90 -3.48 1.24 4.02 -0.68 -1.51 117.16 115.59 3i3a n TYR 163 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.77 3i3a n TYR 163 Cb 0.38 -3.92 -0.01 0.00 -0.02 0.00 0.00 39.34 35.77 3i3a n TYR 163 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3a s SER 164 N -2.13 6.07 -0.08 7.72 1.04 -1.18 -3.45 113.70 121.70 3i3a s SER 164 Ca 0.00 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.49 3i3a s SER 164 Cb 0.00 -1.54 0.02 0.00 0.10 0.00 0.00 66.02 64.60 3i3a s SER 164 CO 0.00 -0.38 -0.08 -0.32 0.98 0.00 0.00 173.24 173.44 3i3a s MET 165 N -4.22 1.34 -0.24 4.02 0.00 0.51 -1.10 119.30 119.61 3i3a s MET 165 Ca 0.42 -0.24 -0.05 0.00 0.00 0.00 0.00 55.69 55.83 3i3a s MET 165 Cb -0.09 -1.31 -0.01 0.00 0.00 0.00 0.00 34.83 33.42 3i3a s MET 165 CO 0.33 -0.14 -0.00 0.08 0.00 0.00 0.00 175.02 175.29 3i3a s VAL 166 N 1.23 3.60 0.81 10.11 1.01 -0.07 -0.21 120.40 136.88 3i3a s VAL 166 Ca -0.05 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 3i3a s VAL 166 Cb -0.14 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.61 3i3a s VAL 166 CO -0.02 0.32 1.09 0.00 0.00 0.00 0.00 175.10 176.49 3i3a s ALA 167 N 1.49 2.04 0.43 5.51 0.00 0.55 -0.89 121.76 130.89 3i3a s ALA 167 Ca 0.05 0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 3i3a s ALA 167 Cb -0.15 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3i3a s ALA 167 CO -0.01 -1.93 1.45 0.41 0.00 0.00 0.00 175.76 175.68 3i3a n GLY 168 N -1.31 1.06 2.50 0.00 0.00 -1.26 -2.82 105.19 103.35 3i3a n GLY 168 Ca 0.08 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 3i3a n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i3a n LEU 169 N -0.03 -0.80 -4.74 0.99 4.77 0.30 -4.79 117.00 112.70 3i3a n LEU 169 Ca 0.04 0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.93 3i3a n LEU 169 Cb 0.41 -2.20 -0.04 0.00 -2.33 0.00 0.00 43.42 39.26 3i3a n LEU 169 CO 0.60 -0.79 0.78 0.00 -1.33 0.00 0.00 177.39 176.65 3i3a s ALA 170 N -2.35 3.37 -0.47 -1.18 0.00 -1.13 -4.67 121.76 115.33 3i3a s ALA 170 Ca 0.00 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 3i3a s ALA 170 Cb 0.00 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.84 3i3a s ALA 170 CO 0.00 -0.17 0.48 0.21 0.00 0.00 0.00 175.76 176.28 3i3a s LYS 171 N -0.51 3.05 -0.35 0.00 2.20 -0.64 -1.78 119.74 121.71 3i3a s LYS 171 Ca 0.48 -1.04 -0.15 0.00 -0.36 0.00 0.00 55.97 54.90 3i3a s LYS 171 Cb -0.29 -4.08 -0.01 0.00 -1.51 0.00 0.00 37.83 31.94 3i3a s LYS 171 CO 0.35 -1.04 0.35 0.08 -0.36 0.00 0.00 175.35 174.73 3i3a s VAL 172 N 2.09 5.18 -0.17 4.02 1.01 0.28 -3.75 120.40 129.05 3i3a s VAL 172 Ca 0.10 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3i3a s VAL 172 Cb -0.21 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 3i3a s VAL 172 CO 0.10 -0.12 0.19 1.33 0.00 0.00 0.00 175.10 176.60 3i3a n VAL 173 N 5.23 0.00 -4.35 2.92 0.24 -1.26 -0.67 118.33 120.44 3i3a n VAL 173 Ca -0.10 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.34 61.69 3i3a n VAL 173 Cb 0.49 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.60 3i3a n VAL 173 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3i3a s GLN 174 N -1.72 1.72 0.62 7.34 -0.21 -1.26 -4.90 119.66 121.24 3i3a s GLN 174 Ca 0.01 -2.01 -0.19 0.00 0.02 0.00 0.00 55.36 53.19 3i3a s GLN 174 Cb 0.04 -0.03 -0.02 0.00 1.00 0.00 0.00 33.01 33.99 3i3a s GLN 174 CO 0.21 -0.54 1.29 -0.51 -2.12 0.00 0.00 175.29 173.63 3i3a s ASP 175 N -3.42 4.84 -0.34 5.90 1.01 0.02 -4.47 116.67 120.21 3i3a s ASP 175 Ca 0.35 2.62 -0.10 0.00 0.71 0.00 0.00 52.55 56.13 3i3a s ASP 175 Cb 0.03 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.36 3i3a s ASP 175 CO 0.21 -1.84 0.18 -0.69 0.21 0.00 0.00 175.17 173.23 3i3a s VAL 176 N -1.40 4.54 0.66 -1.27 1.01 -0.54 -1.21 120.40 122.19 3i3a s VAL 176 Ca 0.79 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 3i3a s VAL 176 Cb -0.37 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3i3a s VAL 176 CO 0.40 -0.09 1.09 -2.16 0.00 0.00 0.00 175.10 174.34 3i3a s PRO 177 N 1.57 2.84 0.68 2.72 0.04 -1.26 -0.77 135.00 140.82 3i3a s PRO 177 Ca 0.03 1.28 -0.16 0.00 0.04 0.00 0.00 61.00 62.19 3i3a s PRO 177 Cb -0.18 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.40 3i3a s PRO 177 CO 0.06 -1.20 1.18 -1.25 0.04 0.00 0.00 177.00 175.83 3i3a s PRO 178 N -4.29 2.53 0.00 0.56 0.04 -1.26 -3.16 135.00 129.42 3i3a s PRO 178 Ca 0.65 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3i3a s PRO 178 Cb -0.18 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3i3a s PRO 178 CO 0.44 -1.52 0.00 0.66 0.04 0.00 0.00 177.00 176.62 3i3a n TYR 179 N -2.34 0.00 -4.17 0.56 4.01 -0.57 -4.92 117.16 109.72 3i3a n TYR 179 Ca 0.13 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.64 3i3a n TYR 179 Cb 0.51 -1.19 -0.07 0.00 -0.31 0.00 0.00 39.34 38.28 3i3a n TYR 179 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3i3a s SER 180 N -2.03 4.64 -0.11 7.72 0.01 -1.19 0.85 113.70 123.60 3i3a s SER 180 Ca 0.00 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.54 3i3a s SER 180 Cb 0.00 -0.78 -0.02 0.00 0.21 0.00 0.00 66.02 65.43 3i3a s SER 180 CO 0.00 -0.20 -0.11 -0.89 0.41 0.00 0.00 173.24 172.45 3i3a s THR 181 N -2.39 3.24 -0.06 1.44 2.01 0.41 -0.36 115.64 119.93 3i3a s THR 181 Ca 0.35 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.77 3i3a s THR 181 Cb -0.04 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.13 3i3a s THR 181 CO 0.22 0.55 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.84 3i3a s VAL 182 N -0.05 1.40 -0.05 3.82 1.01 0.70 -0.47 120.40 126.76 3i3a s VAL 182 Ca -0.02 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 3i3a s VAL 182 Cb -0.14 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.03 3i3a s VAL 182 CO 0.04 0.41 0.22 -0.62 0.00 0.00 0.00 175.10 175.15 3i3a s ASP 183 N 0.29 -0.17 0.00 3.32 2.15 -0.65 -0.33 116.67 121.28 3i3a s ASP 183 Ca -0.09 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.12 3i3a s ASP 183 Cb -0.14 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 42.87 3i3a s ASP 183 CO 0.04 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 3i3a n GLY 184 N 2.27 2.52 2.58 2.66 0.00 -1.26 -1.17 105.19 112.79 3i3a n GLY 184 Ca -0.17 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.43 3i3a n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3a s ASN 185 N 0.00 3.55 0.39 1.61 2.47 -1.26 -1.62 114.94 120.08 3i3a s ASN 185 Ca 0.00 -1.30 -0.25 0.00 0.42 0.00 0.00 52.86 51.73 3i3a s ASN 185 Cb 0.00 -0.43 -0.09 0.00 -1.45 0.00 0.00 41.25 39.28 3i3a s ASN 185 CO 0.00 -0.43 1.13 -2.16 -3.72 0.00 0.00 177.10 171.92 3i3a s PRO 186 N 2.02 4.11 0.44 0.43 0.04 -1.26 -5.07 135.00 135.71 3i3a s PRO 186 Ca 0.09 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 3i3a s PRO 186 Cb -0.16 -2.66 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 3i3a s PRO 186 CO -0.33 -0.25 0.90 -1.54 0.04 0.00 0.00 177.00 175.82 3i3a s SER 187 N -1.25 6.74 0.05 6.66 1.04 -1.04 -5.01 113.70 120.90 3i3a s SER 187 Ca 0.57 1.51 -0.01 0.00 0.48 0.00 0.00 55.95 58.49 3i3a s SER 187 Cb -0.28 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 3i3a s SER 187 CO 0.35 -0.42 -0.02 0.42 0.98 0.00 0.00 173.24 174.55 3i3a s THR 188 N -2.33 0.20 -0.24 2.02 -4.23 -0.32 -4.58 115.64 106.17 3i3a s THR 188 Ca 0.58 -1.69 -0.29 0.00 -1.18 0.00 0.00 61.69 59.12 3i3a s THR 188 Cb -0.10 -1.36 -0.01 0.00 1.34 0.00 0.00 72.50 72.37 3i3a s THR 188 CO 0.23 -0.93 1.34 -0.69 -0.54 0.00 0.00 174.62 174.02 3i3a s VAL 189 N -3.62 4.12 -0.05 2.29 1.01 0.22 -1.63 120.40 122.73 3i3a s VAL 189 Ca 0.04 1.29 0.10 0.00 0.00 0.00 0.00 61.98 63.42 3i3a s VAL 189 Cb 0.06 -4.04 -0.23 0.00 0.00 0.00 0.00 36.38 32.17 3i3a s VAL 189 CO -0.09 -0.34 0.63 1.33 0.00 0.00 0.00 175.10 176.63 3i3a n VAL 190 N 5.96 1.63 -1.14 2.92 0.24 0.38 -1.12 118.33 127.20 3i3a n VAL 190 Ca 0.15 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 3i3a n VAL 190 Cb 0.46 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 3i3a n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i3a n GLY 191 N 1.60 -0.63 3.83 7.63 0.00 -1.22 -4.87 105.19 111.52 3i3a n GLY 191 Ca -0.18 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 3i3a n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3a s LEU 192 N 0.00 4.27 -1.33 0.99 1.43 -1.26 -0.45 118.68 122.33 3i3a s LEU 192 Ca 0.00 1.32 -0.13 0.00 -1.03 0.00 0.00 54.13 54.29 3i3a s LEU 192 Cb 0.00 -3.66 0.11 0.00 0.03 0.00 0.00 46.19 42.67 3i3a s LEU 192 CO 0.00 -0.02 1.88 -3.20 0.23 0.00 0.00 176.35 175.24 3i3a n ASN 193 N 0.44 4.71 -0.02 2.29 5.15 0.25 -4.52 115.26 123.56 3i3a n ASN 193 Ca -0.01 -2.97 -0.11 0.00 -0.60 0.00 0.00 54.58 50.89 3i3a n ASN 193 Cb 0.52 -1.60 -0.05 0.00 -0.53 0.00 0.00 39.78 38.12 3i3a n ASN 193 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3i3a h SER 194 N 6.42 0.16 -0.85 1.20 0.02 -1.95 -2.12 113.55 116.43 3i3a h SER 194 Ca 0.44 -0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.45 3i3a h SER 194 Cb 0.72 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.15 3i3a h SER 194 CO 1.61 0.16 0.49 0.58 -1.14 0.00 0.00 176.83 178.53 3i3a h VAL 195 N 0.15 0.92 -0.41 2.27 2.07 -1.99 -1.45 116.25 117.82 3i3a h VAL 195 Ca 0.05 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 3i3a h VAL 195 Cb 0.02 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 3i3a h VAL 195 CO -0.01 0.15 -0.14 1.23 0.02 0.00 0.00 177.57 178.82 3i3a h GLY 196 N 0.83 0.80 1.55 2.17 0.00 -1.82 -3.03 103.07 103.58 3i3a h GLY 196 Ca 0.41 -0.62 -0.22 0.00 0.00 0.00 0.00 47.33 46.90 3i3a h GLY 196 CO -0.25 0.57 -0.90 -0.33 0.00 0.00 0.00 176.54 175.63 3i3a h MET 197 N 0.67 0.41 -0.53 4.80 2.86 -0.84 -3.21 114.93 119.08 3i3a h MET 197 Ca 0.11 -0.42 0.02 0.00 -2.06 0.00 0.00 59.70 57.35 3i3a h MET 197 Cb 0.61 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 3i3a h MET 197 CO 0.04 1.08 0.33 0.87 1.06 0.00 0.00 176.91 180.29 3i3a h LYS 198 N 0.24 0.63 0.00 1.72 1.57 -1.26 -2.23 116.57 117.25 3i3a h LYS 198 Ca -0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3i3a h LYS 198 Cb 1.53 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.70 3i3a h LYS 198 CO 0.16 0.42 -0.03 0.00 -0.57 0.00 0.00 179.45 179.42 3i3a h ARG 199 N 0.65 0.00 -0.57 3.15 3.08 -1.58 -3.03 114.38 116.08 3i3a h ARG 199 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3i3a h ARG 199 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i3a h ARG 199 CO -0.09 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.84 3i3a n ALA 200 N -2.22 3.71 -0.79 0.04 0.00 -0.85 -4.93 120.51 115.47 3i3a n ALA 200 Ca -0.02 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.51 3i3a n ALA 200 Cb 0.13 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3i3a n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3a n GLY 201 N 0.62 0.42 3.68 0.00 0.00 -1.15 -4.92 105.19 103.84 3i3a n GLY 201 Ca 0.27 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.77 3i3a n GLY 201 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i3a n PHE 202 N -2.10 2.19 -1.29 1.61 3.01 -1.16 -4.92 117.46 114.81 3i3a n PHE 202 Ca 0.00 0.21 -0.32 0.00 1.01 0.00 0.00 57.45 58.34 3i3a n PHE 202 Cb 0.06 -2.58 0.10 0.00 -0.01 0.00 0.00 39.48 37.04 3i3a n PHE 202 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i3a s SER 203 N 4.10 4.16 0.31 4.37 1.04 -1.26 -4.76 113.70 121.67 3i3a s SER 203 Ca 0.96 2.11 0.07 0.00 0.48 0.00 0.00 55.95 59.57 3i3a s SER 203 Cb -0.84 -2.56 0.83 0.00 0.10 0.00 0.00 66.02 63.55 3i3a s SER 203 CO 0.57 -2.27 1.71 -0.65 0.98 0.00 0.00 173.24 173.57 3i3a h PRO 204 N -0.80 0.46 -0.45 4.02 0.11 -1.99 -1.26 132.00 132.08 3i3a h PRO 204 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3i3a h PRO 204 Cb 1.26 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3i3a h PRO 204 CO 0.49 0.30 0.17 0.93 -0.21 0.00 0.00 178.00 179.68 3i3a h GLU 205 N 0.47 0.68 -0.05 1.05 4.39 -1.98 0.67 114.58 119.81 3i3a h GLU 205 Ca 0.61 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 60.19 3i3a h GLU 205 Cb 1.19 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3i3a h GLU 205 CO -0.52 0.63 0.02 0.28 -1.16 0.00 0.00 179.01 178.26 3i3a h VAL 206 N 0.58 1.00 -0.59 3.13 2.07 -1.74 -0.18 116.25 120.52 3i3a h VAL 206 Ca 0.15 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.72 3i3a h VAL 206 Cb 0.21 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 3i3a h VAL 206 CO -0.01 0.01 0.28 0.03 0.02 0.00 0.00 177.57 177.90 3i3a h ARG 207 N 0.05 0.51 -0.42 1.57 3.08 -1.10 -1.29 114.38 116.79 3i3a h ARG 207 Ca 0.02 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.10 3i3a h ARG 207 Cb 0.00 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 3i3a h ARG 207 CO -0.01 0.34 0.10 -0.97 -1.07 0.00 0.00 179.97 178.36 3i3a h ASN 208 N 0.53 0.04 -0.32 7.04 -0.73 -0.48 -1.39 115.58 120.27 3i3a h ASN 208 Ca 0.27 0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.42 3i3a h ASN 208 Cb 0.23 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 3i3a h ASN 208 CO -0.21 0.06 -0.16 0.00 -0.37 0.00 0.00 177.43 176.75 3i3a h ALA 209 N 1.31 0.45 -0.94 1.57 0.00 -0.50 -0.91 119.26 120.23 3i3a h ALA 209 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i3a h ALA 209 Cb 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3i3a h ALA 209 CO -0.25 0.36 0.61 0.82 0.00 0.00 0.00 179.25 180.79 3i3a h ILE 210 N 0.44 1.25 -0.28 0.00 2.04 -1.18 -1.14 117.51 118.63 3i3a h ILE 210 Ca 0.07 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3i3a h ILE 210 Cb 0.69 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3i3a h ILE 210 CO 0.05 0.25 0.14 0.50 0.00 0.00 0.00 178.15 179.08 3i3a h LYS 211 N 1.29 0.40 -0.78 2.37 3.64 -1.04 -2.74 116.57 119.71 3i3a h LYS 211 Ca 0.34 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3i3a h LYS 211 Cb -0.12 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 3i3a h LYS 211 CO -0.07 0.38 0.46 1.25 -2.27 0.00 0.00 179.45 179.20 3i3a h HIS 212 N 0.32 1.02 0.08 1.91 2.76 -0.84 -1.35 115.15 119.06 3i3a h HIS 212 Ca 0.10 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3i3a h HIS 212 Cb 0.11 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 3i3a h HIS 212 CO -0.02 0.69 -0.08 0.00 -1.30 0.00 0.00 177.93 177.21 3i3a h ALA 213 N 1.44 -0.16 0.00 5.26 0.00 -1.13 -2.21 119.26 122.45 3i3a h ALA 213 Ca 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3i3a h ALA 213 Cb -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i3a h ALA 213 CO -0.05 -0.60 -0.05 1.88 0.00 0.00 0.00 179.25 180.43 3i3a h TYR 214 N -0.19 0.00 -0.46 0.00 0.05 -1.30 -0.76 116.97 114.31 3i3a h TYR 214 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 3i3a h TYR 214 Cb 0.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 3i3a h TYR 214 CO -0.11 0.05 -0.14 -0.22 -1.05 0.00 0.00 178.16 176.69 3i3a h LYS 215 N 0.00 0.91 -0.12 4.88 3.64 -1.04 0.14 116.57 124.98 3i3a h LYS 215 Ca -0.00 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.00 3i3a h LYS 215 Cb 0.55 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3i3a h LYS 215 CO 0.01 1.01 -0.01 0.28 -2.27 0.00 0.00 179.45 178.46 3i3a h VAL 216 N 0.75 1.27 -0.51 2.00 2.07 -0.87 0.18 116.25 121.14 3i3a h VAL 216 Ca 0.11 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 3i3a h VAL 216 Cb 0.69 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3i3a h VAL 216 CO 0.05 0.25 0.08 0.40 0.02 0.00 0.00 177.57 178.38 3i3a h ILE 217 N -0.08 1.25 0.00 4.57 2.04 -1.13 -3.36 117.51 120.80 3i3a h ILE 217 Ca 0.03 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 3i3a h ILE 217 Cb 0.40 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3i3a h ILE 217 CO 0.01 0.33 -1.44 -1.22 0.00 0.00 0.00 178.15 175.83 3i3a n TYR 218 N -4.40 0.00 -1.71 1.37 4.01 0.47 -4.64 117.16 112.26 3i3a n TYR 218 Ca 0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.81 3i3a n TYR 218 Cb 0.26 -0.27 0.16 0.00 -0.31 0.00 0.00 39.34 39.17 3i3a n TYR 218 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3i3a n HIS 219 N -2.01 0.00 -0.31 -0.72 8.25 0.61 -4.75 115.22 116.29 3i3a n HIS 219 Ca -0.06 -1.19 0.01 0.00 -0.26 0.00 0.00 57.72 56.22 3i3a n HIS 219 Cb 0.46 -0.21 0.02 0.00 1.12 0.00 0.00 29.99 31.38 3i3a n HIS 219 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i3a n SER 220 N -0.82 1.77 -1.31 0.41 7.64 -1.05 -4.89 113.62 115.37 3i3a n SER 220 Ca 0.15 -2.04 -0.13 0.00 1.01 0.00 0.00 58.87 57.87 3i3a n SER 220 Cb 0.77 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 3i3a n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3a n GLY 221 N -0.56 0.29 3.12 0.23 0.00 -1.26 -5.02 105.19 101.99 3i3a n GLY 221 Ca 0.02 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 3i3a n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i3a s ILE 222 N -2.59 0.81 0.85 -0.61 -4.36 -1.26 -5.14 121.20 108.90 3i3a s ILE 222 Ca 0.00 -1.29 -0.12 0.00 -0.26 0.00 0.00 60.65 58.98 3i3a s ILE 222 Cb 0.00 -0.94 0.09 0.00 1.25 0.00 0.00 42.46 42.87 3i3a s ILE 222 CO 0.00 -0.38 1.11 -1.54 0.24 0.00 0.00 174.94 174.37 3i3a n SER 223 N 1.18 0.53 -0.34 4.36 3.41 -1.26 -4.78 113.62 116.73 3i3a n SER 223 Ca -0.21 0.52 -0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3i3a n SER 223 Cb 0.55 -1.47 0.13 0.00 -0.26 0.00 0.00 64.21 63.17 3i3a n SER 223 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3i3a h THR 224 N -1.22 1.12 -0.12 6.66 2.02 -1.95 -1.06 112.91 118.36 3i3a h THR 224 Ca -0.45 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.35 3i3a h THR 224 Cb 1.29 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3i3a h THR 224 CO 0.44 0.21 0.05 0.03 0.37 0.00 0.00 175.52 176.62 3i3a h ARG 225 N 1.13 0.12 -0.26 6.66 3.08 -1.97 -1.06 114.38 122.07 3i3a h ARG 225 Ca 0.38 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.33 3i3a h ARG 225 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3i3a h ARG 225 CO -0.14 0.08 -0.22 0.87 -1.07 0.00 0.00 179.97 179.49 3i3a h LYS 226 N 0.12 0.49 -0.45 0.04 1.57 -1.88 -2.72 116.57 113.74 3i3a h LYS 226 Ca 0.05 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 3i3a h LYS 226 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3i3a h LYS 226 CO -0.04 0.68 -0.06 0.00 -0.57 0.00 0.00 179.45 179.47 3i3a h ALA 227 N 1.33 0.61 -0.54 3.86 0.00 -0.84 -0.74 119.26 122.94 3i3a h ALA 227 Ca 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3i3a h ALA 227 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3i3a h ALA 227 CO 0.04 0.46 0.15 -0.07 0.00 0.00 0.00 179.25 179.83 3i3a h LEU 228 N 0.67 0.80 -1.03 0.00 3.38 -1.16 -1.91 115.31 116.05 3i3a h LEU 228 Ca 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3i3a h LEU 228 Cb 0.58 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3i3a h LEU 228 CO 0.03 0.81 0.49 0.44 0.09 0.00 0.00 178.44 180.31 3i3a h ASP 229 N 0.75 1.03 -0.53 -0.43 3.32 -1.34 -2.81 116.42 116.42 3i3a h ASP 229 Ca 0.17 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 3i3a h ASP 229 Cb 0.31 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3i3a h ASP 229 CO -0.00 0.81 0.02 -0.08 -1.72 0.00 0.00 179.24 178.27 3i3a h GLU 230 N 1.17 0.96 0.00 3.56 4.81 -0.83 -2.73 114.58 121.52 3i3a h GLU 230 Ca 0.30 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3i3a h GLU 230 Cb -0.01 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3i3a h GLU 230 CO -0.05 0.93 -0.37 -0.07 -0.73 0.00 0.00 179.01 178.72 3i3a h LEU 231 N 0.89 0.00 0.00 1.64 3.38 -1.11 -2.96 115.31 117.15 3i3a h LEU 231 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3i3a h LEU 231 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3i3a h LEU 231 CO 0.02 0.37 0.00 -0.62 0.09 0.00 0.00 178.44 178.31 3i3a n GLU 232 N -3.87 0.74 -0.20 1.13 1.02 -1.03 -3.14 120.64 115.29 3i3a n GLU 232 Ca -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.12 3i3a n GLU 232 Cb 0.44 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.58 3i3a n GLU 232 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i3a h ALA 233 N 3.74 1.38 -2.75 0.62 0.00 -1.52 -3.43 119.26 117.30 3i3a h ALA 233 Ca 0.00 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.29 3i3a h ALA 233 Cb 0.13 -0.28 0.05 0.00 0.00 0.00 0.00 17.79 17.68 3i3a h ALA 233 CO 0.00 0.52 0.66 0.45 0.00 0.00 0.00 179.25 180.88 3i3a s SER 234 N -6.42 6.83 0.32 0.00 0.15 -1.19 -4.95 113.70 108.44 3i3a s SER 234 Ca -0.11 2.52 0.23 0.00 0.70 0.00 0.00 55.95 59.30 3i3a s SER 234 Cb 0.17 -2.62 0.21 0.00 -1.71 0.00 0.00 66.02 62.07 3i3a s SER 234 CO 0.79 -0.55 1.36 1.23 1.20 0.00 0.00 173.24 177.27 3i3a h GLY 235 N 4.74 0.00 -3.89 9.45 0.00 -1.91 -3.37 103.07 108.09 3i3a h GLY 235 Ca -0.46 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.27 3i3a h GLY 235 CO 0.74 0.00 0.67 0.70 0.00 0.00 0.00 176.54 178.65 3i3a n ASN 236 N -2.84 6.05 -4.68 0.19 4.13 -1.26 -4.97 115.26 111.87 3i3a n ASN 236 Ca 0.02 -3.73 -0.42 0.00 1.68 0.00 0.00 54.58 52.13 3i3a n ASN 236 Cb 0.53 -0.88 -0.03 0.00 -1.54 0.00 0.00 39.78 37.86 3i3a n ASN 236 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3i3a s LEU 237 N -3.62 4.28 0.80 3.41 1.43 -1.26 -5.03 118.68 118.69 3i3a s LEU 237 Ca 0.61 1.94 -0.10 0.00 -1.03 0.00 0.00 54.13 55.55 3i3a s LEU 237 Cb 0.49 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 43.23 3i3a s LEU 237 CO 0.03 -0.68 1.10 0.27 0.23 0.00 0.00 176.35 177.30 3i3a s ILE 238 N 2.55 3.11 0.37 -0.59 -4.36 -1.26 -4.84 121.20 116.18 3i3a s ILE 238 Ca 0.60 0.36 0.05 0.00 -0.26 0.00 0.00 60.65 61.40 3i3a s ILE 238 Cb -0.28 -2.77 0.27 0.00 1.25 0.00 0.00 42.46 40.94 3i3a s ILE 238 CO 0.23 -0.47 2.01 -0.33 0.24 0.00 0.00 174.94 176.63 3i3a h GLU 239 N -1.24 0.72 -0.79 0.37 4.39 -1.99 -1.76 114.58 114.29 3i3a h GLU 239 Ca -0.43 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.25 3i3a h GLU 239 Cb 1.24 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 3i3a h GLU 239 CO 0.50 0.47 0.51 1.96 -1.16 0.00 0.00 179.01 181.29 3i3a h GLN 240 N 0.74 0.98 -0.03 2.33 7.50 -1.99 -0.83 115.11 123.80 3i3a h GLN 240 Ca 0.23 -0.06 -0.25 0.00 0.50 0.00 0.00 58.65 59.07 3i3a h GLN 240 Cb 0.02 -0.22 0.02 0.00 0.05 0.00 0.00 27.48 27.34 3i3a h GLN 240 CO -0.06 0.65 -0.97 0.28 -1.50 0.00 0.00 178.83 177.23 3i3a h VAL 241 N 1.01 1.29 -0.96 -0.54 2.07 -1.79 -1.77 116.25 115.56 3i3a h VAL 241 Ca 0.31 -2.21 0.09 0.00 0.82 0.00 0.00 66.70 65.71 3i3a h VAL 241 Cb -0.03 2.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 3i3a h VAL 241 CO -0.10 0.68 0.62 0.11 0.02 0.00 0.00 177.57 178.91 3i3a h LYS 242 N 0.41 1.00 -0.34 1.57 1.57 -1.27 -1.50 116.57 118.01 3i3a h LYS 242 Ca -0.11 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3i3a h LYS 242 Cb 1.61 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 3i3a h LYS 242 CO 0.19 0.66 0.11 -0.92 -0.57 0.00 0.00 179.45 178.92 3i3a h TYR 243 N 1.03 0.55 -0.40 -1.35 -0.00 -0.99 -1.36 116.97 114.46 3i3a h TYR 243 Ca 0.44 -0.05 0.06 0.00 -0.00 0.00 0.00 58.73 59.18 3i3a h TYR 243 Cb 0.32 -0.16 -0.06 0.00 -0.00 0.00 0.00 36.73 36.83 3i3a h TYR 243 CO -0.00 0.54 0.07 0.82 -0.00 0.00 0.00 178.16 179.59 3i3a h ILE 244 N 0.40 0.78 -0.20 1.81 2.04 -0.66 0.21 117.51 121.89 3i3a h ILE 244 Ca 0.11 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3i3a h ILE 244 Cb 0.25 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3i3a h ILE 244 CO -0.00 0.04 0.12 0.40 0.00 0.00 0.00 178.15 178.71 3i3a h ILE 245 N 0.20 1.07 -0.83 -0.67 2.04 -1.21 -1.92 117.51 116.19 3i3a h ILE 245 Ca 0.19 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3i3a h ILE 245 Cb 0.24 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3i3a h ILE 245 CO -0.26 0.07 0.46 0.50 0.00 0.00 0.00 178.15 178.92 3i3a h LYS 246 N 0.25 1.15 -0.38 2.37 3.64 -0.84 -1.76 116.57 121.01 3i3a h LYS 246 Ca 0.07 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3i3a h LYS 246 Cb 0.00 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3i3a h LYS 246 CO -0.01 0.84 0.24 0.35 -2.27 0.00 0.00 179.45 178.59 3i3a h PHE 247 N 1.16 0.48 -0.50 1.91 3.57 -0.19 -0.29 116.94 123.08 3i3a h PHE 247 Ca 0.29 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 3i3a h PHE 247 Cb 0.01 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3i3a h PHE 247 CO 0.01 0.33 0.22 0.74 -2.23 0.00 0.00 178.31 177.37 3i3a h PHE 248 N 0.50 0.74 0.00 0.41 -1.00 -1.12 -2.90 116.94 113.58 3i3a h PHE 248 Ca 0.14 -0.05 -0.08 0.00 2.81 0.00 0.00 57.97 60.78 3i3a h PHE 248 Cb -0.03 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.29 3i3a h PHE 248 CO -0.04 0.61 -0.40 0.00 -1.61 0.00 0.00 178.31 176.86 3i3a h ARG 249 N 0.66 0.00 -0.00 1.51 3.08 -1.06 -3.06 114.38 115.51 3i3a h ARG 249 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3i3a h ARG 249 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3i3a h ARG 249 CO -0.02 0.40 -0.32 -0.25 -1.07 0.00 0.00 179.97 178.72 3i3a n ASP 250 N -3.63 0.44 -4.71 7.04 9.92 -0.14 -4.95 116.55 120.52 3i3a n ASP 250 Ca -0.01 -0.20 -0.42 0.00 -0.53 0.00 0.00 54.79 53.64 3i3a n ASP 250 Cb 0.51 0.03 -0.03 0.00 -0.64 0.00 0.00 41.12 40.99 3i3a n ASP 250 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3i3a s SER 251 N -2.88 6.40 -0.11 -2.24 0.15 -1.10 -4.93 113.70 108.98 3i3a s SER 251 Ca 0.15 2.83 -0.26 0.00 0.70 0.00 0.00 55.95 59.38 3i3a s SER 251 Cb 0.18 -2.59 -0.27 0.00 -1.71 0.00 0.00 66.02 61.63 3i3a s SER 251 CO 0.62 -0.98 0.77 0.44 1.20 0.00 0.00 173.24 175.29 3i3a h ASP 252 N 7.25 0.16 0.37 5.45 3.32 -1.92 -3.38 116.42 127.68 3i3a h ASP 252 Ca -0.44 -0.95 0.00 0.00 0.02 0.00 0.00 57.03 55.66 3i3a h ASP 252 Cb 1.20 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3i3a h ASP 252 CO 0.95 1.17 -0.68 0.54 -1.72 0.00 0.00 179.24 179.51 3i3a n ARG 253 N -4.42 0.03 0.00 3.56 1.74 -1.26 -5.07 116.66 111.24 3i3a n ARG 253 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3i3a n ARG 253 Cb 0.61 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 3i3a n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3a n GLY 254 N 1.48 0.90 3.83 -0.13 0.00 -1.26 -4.86 105.19 105.15 3i3a n GLY 254 Ca 0.05 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 3i3a n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3a s VAL 255 N -2.37 5.19 0.22 1.61 1.01 -1.26 -0.80 120.40 123.99 3i3a s VAL 255 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3i3a s VAL 255 Cb 0.00 -3.28 -0.16 0.00 0.00 0.00 0.00 36.38 32.95 3i3a s VAL 255 CO 0.00 0.56 0.92 0.41 0.00 0.00 0.00 175.10 176.99 3i3a n THR 256 N 1.82 1.60 -1.70 3.92 -1.04 -0.35 -4.74 114.28 113.78 3i3a n THR 256 Ca -0.18 -0.40 -0.40 0.00 -2.04 0.00 0.00 64.05 61.03 3i3a n THR 256 Cb 0.54 -0.63 0.02 0.00 -1.82 0.00 0.00 70.33 68.44 3i3a n THR 256 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3i3a n ASN 257 N 1.66 2.53 -4.80 8.00 3.02 -1.26 -4.60 115.26 119.80 3i3a n ASN 257 Ca 0.14 1.08 -0.35 0.00 -0.03 0.00 0.00 54.58 55.42 3i3a n ASN 257 Cb 0.27 -1.51 -0.07 0.00 -0.61 0.00 0.00 39.78 37.86 3i3a n ASN 257 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i3a s HIS 258 N -1.22 3.54 -2.00 3.10 2.46 -1.26 -0.61 115.29 119.29 3i3a s HIS 258 Ca 0.63 1.65 0.07 0.00 0.47 0.00 0.00 55.06 57.87 3i3a s HIS 258 Cb -0.49 -2.84 0.41 0.00 -0.13 0.00 0.00 32.58 29.53 3i3a s HIS 258 CO 0.57 0.11 0.87 -2.13 -2.47 0.00 0.00 174.74 171.68