#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3x s LYS 2 N 0.00 0.05 -0.24 2.12 2.47 -1.25 -5.00 119.74 117.89 3i3x s LYS 2 Ca 0.00 0.11 -0.04 0.00 -1.56 0.00 0.00 55.97 54.48 3i3x s LYS 2 Cb 0.00 0.06 0.00 0.00 -1.46 0.00 0.00 37.83 36.44 3i3x s LYS 2 CO 0.00 -0.03 -0.02 0.42 0.16 0.00 0.00 175.35 175.88 3i3x s ILE 3 N 2.47 3.39 0.30 5.43 1.01 -1.26 -2.12 121.20 130.43 3i3x s ILE 3 Ca -0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 3i3x s ILE 3 Cb -0.04 -2.63 -0.11 0.00 0.01 0.00 0.00 42.46 39.68 3i3x s ILE 3 CO -0.12 0.30 1.60 -2.28 0.00 0.00 0.00 174.94 174.43 3i3x s HIS 4 N 1.45 2.72 0.61 3.97 2.46 -0.53 -4.89 115.29 121.09 3i3x s HIS 4 Ca 0.04 0.79 0.30 0.00 0.47 0.00 0.00 55.06 56.66 3i3x s HIS 4 Cb -0.15 -4.09 1.64 0.00 -0.13 0.00 0.00 32.58 29.85 3i3x s HIS 4 CO -0.02 -3.62 2.00 -1.00 -2.47 0.00 0.00 174.74 169.63 3i3x h PRO 5 N 4.68 0.00 -0.00 2.88 0.13 -1.94 -0.91 132.00 136.84 3i3x h PRO 5 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i3x h PRO 5 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i3x h PRO 5 CO 0.78 0.00 -0.26 0.25 -0.23 0.00 0.00 178.00 178.54 3i3x n THR 6 N -3.48 0.00 -2.33 1.56 -2.24 -1.26 -4.88 114.28 101.66 3i3x n THR 6 Ca 0.02 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 3i3x n THR 6 Cb 0.43 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 3i3x n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3x s ALA 7 N -2.94 3.45 -0.40 6.98 0.00 -0.35 -3.88 121.76 124.62 3i3x s ALA 7 Ca 0.14 1.04 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 3i3x s ALA 7 Cb 0.18 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.98 3i3x s ALA 7 CO 0.61 -0.37 0.23 0.42 0.00 0.00 0.00 175.76 176.65 3i3x s ILE 8 N -0.96 4.15 -0.15 0.00 1.01 0.09 -4.96 121.20 120.37 3i3x s ILE 8 Ca 0.48 -1.35 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3i3x s ILE 8 Cb -0.35 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.62 3i3x s ILE 8 CO 0.44 -0.45 -0.21 -0.63 0.00 0.00 0.00 174.94 174.09 3i3x s ILE 9 N 1.42 2.06 0.23 2.92 1.01 -1.26 -0.33 121.20 127.26 3i3x s ILE 9 Ca 0.02 -0.97 -0.31 0.00 0.00 0.00 0.00 60.65 59.40 3i3x s ILE 9 Cb -0.22 -1.83 -0.11 0.00 0.01 0.00 0.00 42.46 40.30 3i3x s ILE 9 CO 0.02 0.55 1.65 -0.62 0.00 0.00 0.00 174.94 176.54 3i3x s ASP 10 N 0.95 6.41 0.31 3.58 -1.08 0.05 -4.87 116.67 122.03 3i3x s ASP 10 Ca -0.04 2.86 0.22 0.00 -0.52 0.00 0.00 52.55 55.07 3i3x s ASP 10 Cb -0.15 -2.61 1.15 0.00 -1.46 0.00 0.00 42.92 39.85 3i3x s ASP 10 CO -0.05 -0.92 1.67 -0.81 0.52 0.00 0.00 175.17 175.57 3i3x n PRO 11 N 3.28 0.15 0.12 4.34 -0.04 -1.26 -1.51 135.00 140.07 3i3x n PRO 11 Ca 0.13 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 3i3x n PRO 11 Cb 0.37 -1.95 0.07 0.00 -0.04 0.00 0.00 33.50 31.94 3i3x n PRO 11 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3i3x h LYS 12 N 0.00 0.00 -6.71 0.54 1.79 -1.92 -3.47 116.57 106.81 3i3x h LYS 12 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 3i3x h LYS 12 Cb 0.04 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 30.77 3i3x h LYS 12 CO 0.00 0.00 0.80 0.00 -1.08 0.00 0.00 179.45 179.17 3i3x n ALA 13 N -2.10 2.06 -3.11 3.86 0.00 -0.57 -4.62 120.51 116.03 3i3x n ALA 13 Ca 0.01 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.40 3i3x n ALA 13 Cb 0.53 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 17.50 3i3x n ALA 13 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3x s GLU 14 N -0.33 2.92 -0.14 0.00 2.02 0.87 -4.99 118.70 119.04 3i3x s GLU 14 Ca 0.66 -1.52 -0.00 0.00 0.02 0.00 0.00 54.97 54.13 3i3x s GLU 14 Cb -0.55 -4.15 -0.01 0.00 0.10 0.00 0.00 34.13 29.52 3i3x s GLU 14 CO 0.48 -1.14 -0.12 -0.51 0.02 0.00 0.00 175.26 173.98 3i3x s LEU 15 N 1.59 2.70 0.57 1.80 1.02 -1.26 -0.50 118.68 124.60 3i3x s LEU 15 Ca 0.04 -0.36 -0.21 0.00 0.02 0.00 0.00 54.13 53.62 3i3x s LEU 15 Cb -0.26 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 3i3x s LEU 15 CO 0.04 0.13 1.26 1.57 0.02 0.00 0.00 176.35 179.37 3i3x n HIS 16 N 3.75 1.90 0.30 0.29 -0.00 -0.49 -4.88 115.22 116.10 3i3x n HIS 16 Ca -0.18 0.44 0.19 0.00 -0.00 0.00 0.00 57.72 58.16 3i3x n HIS 16 Cb 0.52 -2.30 0.89 0.00 -0.00 0.00 0.00 29.99 29.11 3i3x n HIS 16 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 3i3x h GLU 17 N 1.08 0.00 0.00 1.57 -0.00 -1.96 -1.79 114.58 113.48 3i3x h GLU 17 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.86 3i3x h GLU 17 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.07 3i3x h GLU 17 CO 0.55 0.01 0.00 -1.13 -0.00 0.00 0.00 179.01 178.44 3i3x n SER 18 N -3.13 0.75 -4.68 3.06 3.41 -1.26 -3.61 113.62 108.16 3i3x n SER 18 Ca -0.01 0.59 -0.45 0.00 -0.26 0.00 0.00 58.87 58.74 3i3x n SER 18 Cb 0.21 -0.79 -0.04 0.00 -0.26 0.00 0.00 64.21 63.34 3i3x n SER 18 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3i3x n VAL 19 N -2.23 0.11 -4.18 -3.33 0.31 -0.68 -3.83 118.33 104.50 3i3x n VAL 19 Ca 0.05 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 64.00 3i3x n VAL 19 Cb 0.38 -1.71 -0.09 0.00 -0.91 0.00 0.00 33.84 31.51 3i3x n VAL 19 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i3x s GLU 20 N 1.55 3.25 -0.04 5.55 2.02 -0.95 -3.75 118.70 126.33 3i3x s GLU 20 Ca 0.80 -0.32 -0.00 0.00 0.02 0.00 0.00 54.97 55.47 3i3x s GLU 20 Cb -0.63 -2.96 0.03 0.00 0.10 0.00 0.00 34.13 30.66 3i3x s GLU 20 CO 0.39 0.67 0.01 0.08 0.02 0.00 0.00 175.26 176.42 3i3x s VAL 21 N -0.76 0.22 0.79 2.63 1.01 -0.90 0.18 120.40 123.57 3i3x s VAL 21 Ca 0.12 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 3i3x s VAL 21 Cb -0.12 -0.35 0.16 0.00 0.00 0.00 0.00 36.38 36.07 3i3x s VAL 21 CO 0.03 0.19 1.08 0.61 0.00 0.00 0.00 175.10 177.00 3i3x n GLY 22 N 4.62 0.21 3.69 4.51 0.00 0.03 -1.45 105.19 116.79 3i3x n GLY 22 Ca -0.17 -1.97 -0.44 0.00 0.00 0.00 0.00 46.02 43.44 3i3x n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i3x n PRO 23 N -3.06 2.35 -1.49 1.61 -0.04 -1.26 -2.94 135.00 130.16 3i3x n PRO 23 Ca 0.17 0.84 -0.17 0.00 -0.04 0.00 0.00 63.50 64.30 3i3x n PRO 23 Cb 0.59 -2.60 -0.07 0.00 -0.04 0.00 0.00 33.50 31.38 3i3x n PRO 23 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i3x n TYR 24 N 2.90 -0.01 -2.91 0.54 4.02 -1.25 -1.32 117.16 119.13 3i3x n TYR 24 Ca 0.14 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.70 3i3x n TYR 24 Cb 0.32 -2.90 -0.07 0.00 -0.02 0.00 0.00 39.34 36.68 3i3x n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i3x s SER 25 N -2.82 6.90 -0.09 7.72 0.01 -1.15 -3.78 113.70 120.49 3i3x s SER 25 Ca 0.00 1.58 0.03 0.00 1.31 0.00 0.00 55.95 58.87 3i3x s SER 25 Cb 0.00 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.74 3i3x s SER 25 CO 0.00 -0.32 -0.20 -0.63 0.41 0.00 0.00 173.24 172.51 3i3x s ILE 26 N -2.12 1.73 -0.09 1.44 1.01 0.11 -0.73 121.20 122.55 3i3x s ILE 26 Ca 0.60 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3i3x s ILE 26 Cb -0.09 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.87 3i3x s ILE 26 CO 0.14 0.49 -0.10 -0.63 0.00 0.00 0.00 174.94 174.84 3i3x s ILE 27 N 0.52 1.08 0.71 2.92 1.01 0.56 -0.87 121.20 127.14 3i3x s ILE 27 Ca -0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 3i3x s ILE 27 Cb -0.17 -1.05 0.15 0.00 0.01 0.00 0.00 42.46 41.40 3i3x s ILE 27 CO 0.06 0.36 0.98 -0.62 0.00 0.00 0.00 174.94 175.72 3i3x n GLU 28 N 4.43 -0.25 -1.95 2.79 1.02 -0.55 -0.77 120.64 125.37 3i3x n GLU 28 Ca -0.17 -2.42 -0.30 0.00 -0.02 0.00 0.00 57.16 54.25 3i3x n GLU 28 Cb 0.51 -0.72 0.18 0.00 -0.02 0.00 0.00 31.44 31.38 3i3x n GLU 28 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i3x s GLY 29 N -5.03 1.77 -1.46 0.62 0.00 -1.26 -4.23 107.32 97.72 3i3x s GLY 29 Ca 0.63 -1.18 -0.05 0.00 0.00 0.00 0.00 44.72 44.11 3i3x s GLY 29 CO 0.42 -0.44 0.61 0.70 0.00 0.00 0.00 173.10 174.39 3i3x n ASN 30 N -3.71 -1.60 -4.05 1.64 4.13 -1.26 -3.95 115.26 106.46 3i3x n ASN 30 Ca 0.15 -0.94 -0.22 0.00 1.68 0.00 0.00 54.58 55.25 3i3x n ASN 30 Cb 0.60 -3.30 -0.16 0.00 -1.54 0.00 0.00 39.78 35.38 3i3x n ASN 30 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3i3x s VAL 31 N -3.70 0.98 -0.03 2.41 1.01 -1.26 0.16 120.40 119.97 3i3x s VAL 31 Ca 0.22 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3i3x s VAL 31 Cb -0.12 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 3i3x s VAL 31 CO 0.87 0.29 -0.14 -0.94 0.00 0.00 0.00 175.10 175.19 3i3x s SER 32 N 0.07 1.73 -0.07 3.32 1.04 -0.20 -0.09 113.70 119.50 3i3x s SER 32 Ca -0.02 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 3i3x s SER 32 Cb -0.09 -0.37 0.03 0.00 0.10 0.00 0.00 66.02 65.70 3i3x s SER 32 CO 0.01 0.14 0.00 -0.63 0.98 0.00 0.00 173.24 173.74 3i3x s ILE 33 N -0.07 0.35 0.83 -1.02 1.01 0.35 -0.39 121.20 122.26 3i3x s ILE 33 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.71 3i3x s ILE 33 Cb -0.08 -0.51 0.16 0.00 0.01 0.00 0.00 42.46 42.04 3i3x s ILE 33 CO 0.01 0.25 1.14 -1.10 0.00 0.00 0.00 174.94 175.24 3i3x s GLN 34 N 1.91 1.20 0.34 2.79 -0.21 0.08 -1.39 119.66 124.38 3i3x s GLN 34 Ca 0.04 -0.86 -0.29 0.00 0.02 0.00 0.00 55.36 54.27 3i3x s GLN 34 Cb -0.12 -2.13 -0.11 0.00 1.00 0.00 0.00 33.01 31.65 3i3x s GLN 34 CO -0.05 -1.88 1.54 -2.00 -2.12 0.00 0.00 175.29 170.78 3i3x s GLU 35 N -5.46 4.11 0.00 2.91 2.12 -1.26 -3.24 118.70 117.88 3i3x s GLU 35 Ca 0.70 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.61 3i3x s GLU 35 Cb -0.04 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.35 3i3x s GLU 35 CO 0.48 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 3i3x n GLY 36 N 1.27 0.77 3.77 -1.50 0.00 -1.26 -1.47 105.19 106.76 3i3x n GLY 36 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3i3x n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3x s THR 37 N -3.10 3.35 -0.09 2.61 2.01 -1.20 -3.69 115.64 115.54 3i3x s THR 37 Ca 0.00 1.26 0.02 0.00 0.31 0.00 0.00 61.69 63.28 3i3x s THR 37 Cb 0.00 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.76 3i3x s THR 37 CO 0.00 0.22 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.38 3i3x s ILE 38 N -1.29 1.35 -0.14 1.82 1.01 0.88 -2.23 121.20 122.60 3i3x s ILE 38 Ca 0.50 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3i3x s ILE 38 Cb -0.31 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 3i3x s ILE 38 CO 0.40 0.41 -0.14 -0.63 0.00 0.00 0.00 174.94 174.97 3i3x s ILE 39 N 0.85 2.86 0.00 2.92 1.01 0.13 -0.34 121.20 128.63 3i3x s ILE 39 Ca -0.10 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3i3x s ILE 39 Cb -0.15 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.12 3i3x s ILE 39 CO 0.01 0.52 0.00 -0.62 0.00 0.00 0.00 174.94 174.85 3i3x n GLU 40 N 3.74 3.34 -3.30 2.79 1.02 0.08 -0.79 120.64 127.51 3i3x n GLU 40 Ca -0.18 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.64 3i3x n GLU 40 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.90 3i3x n GLU 40 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i3x s GLY 41 N 0.00 2.18 -1.93 0.62 0.00 -1.26 -2.13 107.32 104.80 3i3x s GLY 41 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.45 3i3x s GLY 41 CO 0.00 -0.13 0.00 1.42 0.00 0.00 0.00 173.10 174.39 3i3x n HIS 42 N -0.43 -0.50 -3.10 1.90 8.25 -0.44 -2.03 115.22 118.87 3i3x n HIS 42 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3i3x n HIS 42 Cb 0.53 -3.58 -0.06 0.00 1.12 0.00 0.00 29.99 28.00 3i3x n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i3x s VAL 43 N -2.82 4.56 -0.16 1.59 1.01 -1.26 -3.36 120.40 119.96 3i3x s VAL 43 Ca 0.00 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.30 3i3x s VAL 43 Cb 0.00 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.52 3i3x s VAL 43 CO 0.00 0.23 -0.20 -0.75 0.00 0.00 0.00 175.10 174.38 3i3x s LYS 44 N -1.91 2.89 -0.27 2.72 2.20 -0.76 0.09 119.74 124.70 3i3x s LYS 44 Ca 0.42 -0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 55.19 3i3x s LYS 44 Cb -0.17 -2.44 0.01 0.00 -1.51 0.00 0.00 37.83 33.72 3i3x s LYS 44 CO 0.21 -0.14 0.03 0.42 -0.36 0.00 0.00 175.35 175.51 3i3x s ILE 45 N 1.13 3.59 0.45 5.43 -1.09 -0.05 -0.11 121.20 130.55 3i3x s ILE 45 Ca 0.00 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 3i3x s ILE 45 Cb -0.14 -2.82 -0.00 0.00 -1.58 0.00 0.00 42.46 37.92 3i3x s ILE 45 CO -0.08 0.15 0.67 0.00 -1.23 0.00 0.00 174.94 174.45 3i3x n ALA 47 N -2.08 1.50 -0.09 0.00 0.00 -1.25 -2.64 120.51 115.96 3i3x n ALA 47 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3i3x n ALA 47 Cb 0.58 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3i3x n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3x n GLY 48 N 1.24 0.50 3.68 0.00 0.00 0.12 -4.83 105.19 105.90 3i3x n GLY 48 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3i3x n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i3x s SER 49 N -2.77 7.01 -0.29 1.61 0.01 -1.08 -1.73 113.70 116.45 3i3x s SER 49 Ca 0.00 1.24 0.03 0.00 1.31 0.00 0.00 55.95 58.52 3i3x s SER 49 Cb 0.00 -2.46 0.08 0.00 0.21 0.00 0.00 66.02 63.84 3i3x s SER 49 CO 0.00 -0.36 -0.02 -1.61 0.41 0.00 0.00 173.24 171.66 3i3x s GLU 50 N 1.89 1.71 -0.12 12.44 2.02 -0.12 -1.03 118.70 135.49 3i3x s GLU 50 Ca 0.40 -1.47 0.01 0.00 0.02 0.00 0.00 54.97 53.93 3i3x s GLU 50 Cb -0.17 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 3i3x s GLU 50 CO 0.15 -0.75 -0.16 0.42 0.02 0.00 0.00 175.26 174.93 3i3x s ILE 51 N 1.12 2.78 0.00 -1.63 1.01 0.48 -0.98 121.20 123.97 3i3x s ILE 51 Ca 0.01 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3i3x s ILE 51 Cb -0.19 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.14 3i3x s ILE 51 CO -0.08 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3i3x n GLY 52 N 3.46 0.95 3.89 6.18 0.00 0.16 -0.74 105.19 119.09 3i3x n GLY 52 Ca -0.18 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 3i3x n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3x s LYS 53 N 0.17 3.58 -1.50 1.61 1.02 -1.24 -3.29 119.74 120.08 3i3x s LYS 53 Ca 0.00 -0.14 -0.06 0.00 0.02 0.00 0.00 55.97 55.79 3i3x s LYS 53 Cb 0.00 -2.99 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 3i3x s LYS 53 CO 0.00 0.58 0.67 1.19 -0.92 0.00 0.00 175.35 176.86 3i3x n PHE 54 N 0.60 -2.06 -3.15 3.18 3.01 -0.54 -0.46 117.46 118.04 3i3x n PHE 54 Ca -0.07 0.58 -0.31 0.00 1.01 0.00 0.00 57.45 58.67 3i3x n PHE 54 Cb 0.52 -4.33 -0.04 0.00 -0.01 0.00 0.00 39.48 35.62 3i3x n PHE 54 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i3x s ASN 55 N -2.79 6.57 -0.07 4.37 0.01 -1.26 -3.25 114.94 118.52 3i3x s ASN 55 Ca 0.36 1.01 0.04 0.00 -0.71 0.00 0.00 52.86 53.56 3i3x s ASN 55 Cb -0.17 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.23 3i3x s ASN 55 CO 0.45 -0.24 -0.18 -0.60 -1.51 0.00 0.00 177.10 175.01 3i3x s ARG 56 N -3.40 2.23 -0.29 -0.60 3.52 -0.70 -0.08 118.95 119.63 3i3x s ARG 56 Ca 0.49 -0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 55.43 3i3x s ARG 56 Cb -0.11 -1.79 0.05 0.00 -1.56 0.00 0.00 34.95 31.54 3i3x s ARG 56 CO 0.26 0.15 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.82 3i3x s PHE 57 N 0.35 3.25 0.80 5.12 0.40 0.54 -0.62 117.98 127.82 3i3x s PHE 57 Ca -0.13 -1.93 -0.12 0.00 -0.60 0.00 0.00 56.93 54.15 3i3x s PHE 57 Cb -0.15 -2.07 0.07 0.00 0.51 0.00 0.00 43.02 41.38 3i3x s PHE 57 CO 0.05 -0.81 1.15 -1.01 0.70 0.00 0.00 175.22 175.30 3i3x s HIS 58 N 1.23 2.98 0.01 0.36 3.76 0.11 -0.75 115.29 122.99 3i3x s HIS 58 Ca -0.06 0.86 -0.38 0.00 -0.15 0.00 0.00 55.06 55.33 3i3x s HIS 58 Cb -0.20 -3.36 -0.18 0.00 1.11 0.00 0.00 32.58 29.96 3i3x s HIS 58 CO -0.02 -1.71 1.30 0.94 -0.85 0.00 0.00 174.74 174.40 3i3x n GLN 59 N -3.31 0.74 -0.79 1.40 7.27 -1.26 -2.22 117.38 119.22 3i3x n GLN 59 Ca 0.07 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.41 3i3x n GLN 59 Cb 0.60 -1.86 0.00 0.00 2.41 0.00 0.00 30.24 31.38 3i3x n GLN 59 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i3x n GLY 60 N 2.39 1.40 3.71 1.69 0.00 -0.86 -2.11 105.19 111.42 3i3x n GLY 60 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3i3x n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3x n ALA 61 N 0.80 1.63 -3.29 4.61 0.00 -0.94 -3.73 120.51 119.59 3i3x n ALA 61 Ca 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 3i3x n ALA 61 Cb 0.00 -2.33 -0.17 0.00 0.00 0.00 0.00 19.45 16.96 3i3x n ALA 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i3x s VAL 62 N -0.49 2.13 -0.11 0.00 -7.23 0.02 -1.82 120.40 112.89 3i3x s VAL 62 Ca 0.61 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 3i3x s VAL 62 Cb -0.57 -1.82 0.02 0.00 0.56 0.00 0.00 36.38 34.57 3i3x s VAL 62 CO 0.55 0.56 -0.12 -0.63 -0.31 0.00 0.00 175.10 175.15 3i3x s ILE 63 N 0.43 1.26 0.00 -0.62 -1.09 0.84 -1.08 121.20 120.94 3i3x s ILE 63 Ca -0.16 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 3i3x s ILE 63 Cb -0.17 -1.19 0.00 0.00 -1.58 0.00 0.00 42.46 39.51 3i3x s ILE 63 CO 0.07 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 3i3x n GLY 64 N 4.47 0.46 3.77 6.18 0.00 0.83 -0.39 105.19 120.51 3i3x n GLY 64 Ca -0.17 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 3i3x n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i3x s VAL 65 N -2.00 3.26 0.28 1.61 -7.23 -1.12 -4.34 120.40 110.85 3i3x s VAL 65 Ca 0.00 0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 60.32 3i3x s VAL 65 Cb 0.00 -2.93 -0.13 0.00 0.56 0.00 0.00 36.38 33.88 3i3x s VAL 65 CO 0.00 -0.49 1.27 0.23 -0.31 0.00 0.00 175.10 175.80 3i3x n MET 66 N -3.29 1.87 -1.55 4.82 2.81 -1.26 -2.29 117.12 118.23 3i3x n MET 66 Ca 0.09 0.66 -0.50 0.00 -1.81 0.00 0.00 57.70 56.15 3i3x n MET 66 Cb 0.53 -2.23 -0.04 0.00 -0.71 0.00 0.00 33.22 30.77 3i3x n MET 66 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3i3x n PRO 67 N 1.24 0.91 -2.32 0.03 -0.02 -1.26 -4.82 135.00 128.76 3i3x n PRO 67 Ca 0.09 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 3i3x n PRO 67 Cb 0.33 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3i3x n PRO 67 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i3x n GLN 68 N 1.64 3.14 -3.34 -0.52 6.02 -1.26 -4.80 117.38 118.27 3i3x n GLN 68 Ca 0.16 -3.15 -0.09 0.00 -0.01 0.00 0.00 57.00 53.91 3i3x n GLN 68 Cb 0.23 -3.32 -0.07 0.00 1.02 0.00 0.00 30.24 28.09 3i3x n GLN 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3i3x s ASP 69 N 3.42 0.33 0.48 1.08 3.68 -1.26 -5.00 116.67 119.38 3i3x s ASP 69 Ca 0.49 0.01 0.13 0.00 2.13 0.00 0.00 52.55 55.31 3i3x s ASP 69 Cb 0.07 1.10 1.11 0.00 -1.45 0.00 0.00 42.92 43.75 3i3x s ASP 69 CO 0.01 -0.32 2.10 -0.07 0.13 0.00 0.00 175.17 177.02 3i3x h LEU 70 N 8.18 0.16 -2.80 -1.34 -0.00 -2.04 -2.20 115.31 115.26 3i3x h LEU 70 Ca -0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 3i3x h LEU 70 Cb 1.14 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 3i3x h LEU 70 CO 0.27 0.13 0.00 0.61 -0.00 0.00 0.00 178.44 179.46 3i3x n GLY 71 N -1.46 2.52 3.71 0.83 0.00 -1.26 -4.98 105.19 104.55 3i3x n GLY 71 Ca -0.01 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 3i3x n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i3x s PHE 72 N -1.16 3.06 -0.58 1.61 5.36 -0.83 -4.94 117.98 120.51 3i3x s PHE 72 Ca 0.50 0.83 -0.28 0.00 -0.96 0.00 0.00 56.93 57.03 3i3x s PHE 72 Cb 0.27 -3.73 0.01 0.00 -0.34 0.00 0.00 43.02 39.23 3i3x s PHE 72 CO 0.32 -2.64 1.45 1.21 -1.46 0.00 0.00 175.22 174.10 3i3x s ASN 73 N 1.40 6.04 0.00 6.13 3.84 -1.26 -4.86 114.94 126.23 3i3x s ASN 73 Ca 0.66 0.23 0.11 0.00 0.21 0.00 0.00 52.86 54.07 3i3x s ASN 73 Cb -0.37 -2.55 0.61 0.00 -0.55 0.00 0.00 41.25 38.40 3i3x s ASN 73 CO 0.30 -1.79 1.15 0.00 -2.79 0.00 0.00 177.10 173.97 3i3x n GLN 74 N 8.79 0.27 0.00 0.43 6.02 -1.26 -1.72 117.38 129.90 3i3x n GLN 74 Ca 0.12 0.07 0.12 0.00 -0.01 0.00 0.00 57.00 57.31 3i3x n GLN 74 Cb 0.49 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.46 3i3x n GLN 74 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i3x n GLN 75 N -1.11 0.62 -2.51 -1.09 1.13 -1.26 -4.93 117.38 108.22 3i3x n GLN 75 Ca 0.07 -0.42 -0.39 0.00 -1.94 0.00 0.00 57.00 54.32 3i3x n GLN 75 Cb 0.06 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 28.87 3i3x n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i3x s LEU 76 N -2.67 4.39 -0.84 1.08 1.43 -0.70 -4.96 118.68 116.40 3i3x s LEU 76 Ca 0.18 2.17 -0.19 0.00 -1.03 0.00 0.00 54.13 55.26 3i3x s LEU 76 Cb 0.18 -3.85 0.12 0.00 0.03 0.00 0.00 46.19 42.68 3i3x s LEU 76 CO 0.62 -0.27 1.03 -0.22 0.23 0.00 0.00 176.35 177.74 3i3x s LEU 77 N -1.91 5.07 0.24 1.79 2.96 -1.26 -5.01 118.68 120.57 3i3x s LEU 77 Ca 0.50 -1.83 0.07 0.00 -0.22 0.00 0.00 54.13 52.65 3i3x s LEU 77 Cb -0.28 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 3i3x s LEU 77 CO 0.35 -1.11 0.15 0.42 -1.32 0.00 0.00 176.35 174.84 3i3x s THR 78 N 2.78 4.25 0.19 3.68 -4.23 -1.26 -4.64 115.64 116.41 3i3x s THR 78 Ca 0.28 -1.46 0.08 0.00 -1.18 0.00 0.00 61.69 59.41 3i3x s THR 78 Cb -0.09 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 3i3x s THR 78 CO -0.04 -0.32 -0.02 -0.54 -0.54 0.00 0.00 174.62 173.16 3i3x s LYS 79 N -3.69 2.31 -0.26 3.99 1.02 -1.26 -4.34 119.74 117.51 3i3x s LYS 79 Ca 0.32 -1.19 0.03 0.00 0.02 0.00 0.00 55.97 55.15 3i3x s LYS 79 Cb -0.08 -2.28 0.06 0.00 -0.52 0.00 0.00 37.83 35.01 3i3x s LYS 79 CO 0.24 0.44 -0.10 0.99 -0.92 0.00 0.00 175.35 175.99 3i3x s THR 80 N -1.81 2.04 -0.28 2.17 2.01 -0.71 -1.73 115.64 117.34 3i3x s THR 80 Ca 0.27 -1.56 -0.12 0.00 0.31 0.00 0.00 61.69 60.59 3i3x s THR 80 Cb -0.09 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3i3x s THR 80 CO 0.18 -0.05 0.25 -0.69 -0.69 0.00 0.00 174.62 173.62 3i3x s VAL 81 N 1.16 5.26 -0.09 3.82 1.01 0.17 -0.95 120.40 130.79 3i3x s VAL 81 Ca -0.08 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3i3x s VAL 81 Cb -0.20 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3i3x s VAL 81 CO -0.05 0.21 -0.17 -0.63 0.00 0.00 0.00 175.10 174.45 3i3x s ILE 82 N 1.86 1.56 0.00 2.22 1.01 -0.15 0.23 121.20 127.93 3i3x s ILE 82 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3i3x s ILE 82 Cb -0.16 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.91 3i3x s ILE 82 CO 0.11 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3i3x n GLY 83 N 3.87 0.69 3.53 6.18 0.00 -0.17 -0.67 105.19 118.64 3i3x n GLY 83 Ca -0.20 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3i3x n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3x s ASP 84 N -1.04 4.14 -1.74 1.61 1.01 -1.23 -2.46 116.67 116.95 3i3x s ASP 84 Ca 0.00 -0.48 0.00 0.00 0.71 0.00 0.00 52.55 52.78 3i3x s ASP 84 Cb 0.00 -0.69 0.00 0.00 1.01 0.00 0.00 42.92 43.24 3i3x s ASP 84 CO 0.00 0.18 0.00 1.41 0.21 0.00 0.00 175.17 176.97 3i3x n HIS 85 N 0.75 -0.88 -3.03 4.23 8.25 0.39 -0.92 115.22 124.01 3i3x n HIS 85 Ca -0.15 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.00 3i3x n HIS 85 Cb 0.52 -3.81 -0.05 0.00 1.12 0.00 0.00 29.99 27.77 3i3x n HIS 85 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3i3x s ASN 86 N -2.15 6.72 -0.13 0.41 0.01 -1.26 -3.35 114.94 115.18 3i3x s ASN 86 Ca 0.00 1.27 0.02 0.00 -0.71 0.00 0.00 52.86 53.45 3i3x s ASN 86 Cb 0.00 -2.37 0.01 0.00 0.41 0.00 0.00 41.25 39.30 3i3x s ASN 86 CO 0.00 -0.27 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.47 3i3x s ILE 87 N -2.11 1.98 -0.31 0.60 1.01 0.05 -1.73 121.20 120.71 3i3x s ILE 87 Ca 0.54 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 3i3x s ILE 87 Cb -0.10 -1.76 0.06 0.00 0.01 0.00 0.00 42.46 40.67 3i3x s ILE 87 CO 0.21 0.54 0.01 -0.36 0.00 0.00 0.00 174.94 175.33 3i3x s PHE 88 N 0.80 3.30 1.07 3.97 0.40 0.21 0.16 117.98 127.89 3i3x s PHE 88 Ca -0.08 -1.98 -0.18 0.00 -0.60 0.00 0.00 56.93 54.10 3i3x s PHE 88 Cb -0.16 -2.21 0.25 0.00 0.51 0.00 0.00 43.02 41.41 3i3x s PHE 88 CO -0.01 -0.83 1.27 1.03 0.70 0.00 0.00 175.22 177.38 3i3x s ARG 89 N 1.22 -0.21 0.14 0.44 1.81 0.57 0.06 118.95 122.98 3i3x s ARG 89 Ca -0.04 -0.38 -0.32 0.00 -1.72 0.00 0.00 55.73 53.27 3i3x s ARG 89 Cb -0.20 -1.74 -0.12 0.00 -0.45 0.00 0.00 34.95 32.44 3i3x s ARG 89 CO -0.02 -2.99 1.77 0.39 -0.68 0.00 0.00 175.30 173.77 3i3x n GLU 90 N -4.18 2.65 -1.11 3.54 4.71 -1.26 -2.03 120.64 122.96 3i3x n GLU 90 Ca 0.16 0.96 -0.04 0.00 -0.01 0.00 0.00 57.16 58.23 3i3x n GLU 90 Cb 0.59 -2.82 -0.02 0.00 -1.01 0.00 0.00 31.44 28.19 3i3x n GLU 90 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3i3x n TYR 91 N 4.87 0.00 -1.66 -0.32 4.02 -0.89 -1.27 117.16 121.91 3i3x n TYR 91 Ca 0.18 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.70 3i3x n TYR 91 Cb 0.35 -1.86 0.07 0.00 -0.02 0.00 0.00 39.34 37.87 3i3x n TYR 91 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3i3x n SER 92 N -0.75 1.56 -3.57 7.72 3.41 -0.86 -3.91 113.62 117.22 3i3x n SER 92 Ca -0.04 0.80 -0.21 0.00 -0.26 0.00 0.00 58.87 59.17 3i3x n SER 92 Cb 0.42 -1.50 -0.15 0.00 -0.26 0.00 0.00 64.21 62.73 3i3x n SER 92 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i3x s ASN 93 N -1.39 1.59 -0.17 4.04 4.22 -0.19 -0.80 114.94 122.24 3i3x s ASN 93 Ca 0.80 -0.24 -0.02 0.00 -2.14 0.00 0.00 52.86 51.26 3i3x s ASN 93 Cb -0.38 0.12 -0.01 0.00 1.28 0.00 0.00 41.25 42.25 3i3x s ASN 93 CO 0.43 -0.32 -0.07 -0.63 -2.04 0.00 0.00 177.10 174.47 3i3x s ILE 94 N 2.25 3.35 0.05 0.54 -1.09 -0.24 -1.26 121.20 124.79 3i3x s ILE 94 Ca 0.04 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 3i3x s ILE 94 Cb -0.15 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 3i3x s ILE 94 CO -0.09 0.48 0.15 -1.00 -1.23 0.00 0.00 174.94 173.24 3i3x s HIS 95 N 0.84 3.40 0.83 3.97 3.76 -0.42 -0.12 115.29 127.55 3i3x s HIS 95 Ca -0.02 0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 54.98 3i3x s HIS 95 Cb -0.15 -1.73 0.11 0.00 1.11 0.00 0.00 32.58 31.92 3i3x s HIS 95 CO 0.01 0.57 1.19 -1.59 -0.85 0.00 0.00 174.74 174.07 3i3x s LYS 96 N -2.28 1.67 1.02 1.40 -2.85 -0.97 -4.40 119.74 113.32 3i3x s LYS 96 Ca 0.31 -0.08 -0.15 0.00 -1.00 0.00 0.00 55.97 55.04 3i3x s LYS 96 Cb -0.13 -1.96 0.20 0.00 -2.06 0.00 0.00 37.83 33.88 3i3x s LYS 96 CO 0.23 -1.74 1.15 0.20 0.10 0.00 0.00 175.35 175.28 3i3x s GLY 97 N -4.65 1.60 0.00 0.59 0.00 -0.86 -4.00 107.32 100.01 3i3x s GLY 97 Ca 0.65 -0.71 0.14 0.00 0.00 0.00 0.00 44.72 44.79 3i3x s GLY 97 CO 0.49 -0.02 0.76 -1.30 0.00 0.00 0.00 173.10 173.03 3i3x n THR 98 N -4.13 0.00 -4.15 0.90 -2.24 -1.14 -4.68 114.28 98.84 3i3x n THR 98 Ca 0.09 -0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 3i3x n THR 98 Cb 0.59 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.86 3i3x n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i3x s LYS 99 N -1.70 0.78 0.29 -0.78 3.01 -1.21 -4.85 119.74 115.27 3i3x s LYS 99 Ca 0.11 -1.09 0.23 0.00 -1.01 0.00 0.00 55.97 54.22 3i3x s LYS 99 Cb 0.11 -0.46 1.05 0.00 -1.01 0.00 0.00 37.83 37.52 3i3x s LYS 99 CO 0.35 0.07 1.71 0.39 0.51 0.00 0.00 175.35 178.38 3i3x n GLU 100 N 0.70 0.19 -0.09 1.68 1.02 -1.26 -1.32 120.64 121.57 3i3x n GLU 100 Ca -0.17 0.49 0.03 0.00 -0.02 0.00 0.00 57.16 57.49 3i3x n GLU 100 Cb 0.57 -1.91 0.07 0.00 -0.02 0.00 0.00 31.44 30.16 3i3x n GLU 100 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i3x n ASP 101 N -2.27 2.42 -3.71 1.62 5.68 -1.26 -4.85 116.55 114.19 3i3x n ASP 101 Ca 0.01 -2.15 -0.29 0.00 -0.50 0.00 0.00 54.79 51.86 3i3x n ASP 101 Cb 0.18 -0.14 -0.13 0.00 -1.14 0.00 0.00 41.12 39.89 3i3x n ASP 101 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3i3x s SER 102 N -1.22 3.58 0.67 -1.12 0.15 -0.43 -5.13 113.70 110.20 3i3x s SER 102 Ca 0.12 -2.82 -0.07 0.00 0.70 0.00 0.00 55.95 53.88 3i3x s SER 102 Cb 0.08 -1.06 0.04 0.00 -1.71 0.00 0.00 66.02 63.37 3i3x s SER 102 CO 0.06 -0.24 0.99 -2.16 1.20 0.00 0.00 173.24 173.09 3i3x s PRO 103 N 0.10 2.53 0.14 5.44 0.04 -1.26 -2.87 135.00 139.11 3i3x s PRO 103 Ca 0.20 -0.06 -0.26 0.00 0.04 0.00 0.00 61.00 60.92 3i3x s PRO 103 Cb -0.19 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 3i3x s PRO 103 CO -0.04 -1.04 0.82 0.99 0.04 0.00 0.00 177.00 177.78 3i3x s THR 104 N -3.18 4.45 -0.06 1.26 2.01 -0.70 -4.44 115.64 114.97 3i3x s THR 104 Ca 0.58 1.78 0.01 0.00 0.31 0.00 0.00 61.69 64.37 3i3x s THR 104 Cb -0.11 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.24 3i3x s THR 104 CO 0.46 0.45 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.08 3i3x s VAL 105 N -0.71 0.72 -0.05 3.82 1.01 -0.13 0.46 120.40 125.53 3i3x s VAL 105 Ca 0.39 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3i3x s VAL 105 Cb -0.23 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 3i3x s VAL 105 CO 0.27 0.27 -0.17 -0.63 0.00 0.00 0.00 175.10 174.84 3i3x s ILE 106 N 0.97 1.42 0.00 2.22 1.01 0.13 -0.04 121.20 126.91 3i3x s ILE 106 Ca -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3i3x s ILE 106 Cb -0.14 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.09 3i3x s ILE 106 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3i3x n GLY 107 N 3.27 0.86 3.57 6.18 0.00 -0.66 -1.00 105.19 117.42 3i3x n GLY 107 Ca -0.19 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 3i3x n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3x s ASN 108 N -1.00 4.38 -1.60 1.61 0.01 -1.25 -2.21 114.94 114.88 3i3x s ASN 108 Ca 0.00 -0.34 -0.02 0.00 -0.71 0.00 0.00 52.86 51.79 3i3x s ASN 108 Cb 0.00 -0.87 0.01 0.00 0.41 0.00 0.00 41.25 40.80 3i3x s ASN 108 CO 0.00 0.21 0.26 0.29 -1.51 0.00 0.00 177.10 176.35 3i3x n LYS 109 N 0.97 -3.08 -2.91 -0.60 5.02 -0.10 -1.07 118.16 116.40 3i3x n LYS 109 Ca -0.14 0.91 -0.31 0.00 -2.02 0.00 0.00 58.31 56.75 3i3x n LYS 109 Cb 0.52 -5.65 -0.04 0.00 -0.02 0.00 0.00 35.03 29.85 3i3x n LYS 109 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3i3x s ASN 110 N -2.34 6.56 -0.15 4.39 0.01 -1.26 -3.32 114.94 118.82 3i3x s ASN 110 Ca 0.14 1.14 -0.00 0.00 -0.71 0.00 0.00 52.86 53.43 3i3x s ASN 110 Cb -0.06 -2.33 0.04 0.00 0.41 0.00 0.00 41.25 39.31 3i3x s ASN 110 CO 0.17 -0.37 -0.07 -0.47 -1.51 0.00 0.00 177.10 174.85 3i3x s TYR 111 N -2.31 1.78 -0.37 2.20 6.14 -0.18 -0.77 117.35 123.85 3i3x s TYR 111 Ca 0.51 -1.07 -0.06 0.00 0.64 0.00 0.00 57.07 57.10 3i3x s TYR 111 Cb -0.10 -1.36 0.06 0.00 0.42 0.00 0.00 41.96 40.98 3i3x s TYR 111 CO 0.29 -0.61 0.15 -0.06 0.64 0.00 0.00 175.55 175.96 3i3x s PHE 112 N 1.61 3.34 1.02 4.97 0.40 0.12 -0.49 117.98 128.95 3i3x s PHE 112 Ca 0.02 -1.69 -0.14 0.00 -0.60 0.00 0.00 56.93 54.53 3i3x s PHE 112 Cb -0.14 -2.60 0.20 0.00 0.51 0.00 0.00 43.02 40.99 3i3x s PHE 112 CO -0.08 -0.81 1.12 -1.64 0.70 0.00 0.00 175.22 174.50 3i3x s MET 113 N 1.34 0.26 0.30 0.44 -1.94 0.13 -0.32 119.30 119.52 3i3x s MET 113 Ca 0.01 0.29 -0.28 0.00 -1.71 0.00 0.00 55.69 53.99 3i3x s MET 113 Cb -0.21 -1.74 -0.14 0.00 2.01 0.00 0.00 34.83 34.76 3i3x s MET 113 CO 0.01 -2.79 1.10 0.41 -0.01 0.00 0.00 175.02 173.74 3i3x n GLY 114 N -1.48 0.01 2.56 -0.03 0.00 -1.26 -1.92 105.19 103.07 3i3x n GLY 114 Ca 0.07 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 3i3x n GLY 114 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i3x n ASN 115 N 1.11 -4.95 -4.81 1.61 3.02 -0.39 -1.69 115.26 109.16 3i3x n ASN 115 Ca 0.08 0.30 -0.34 0.00 -0.03 0.00 0.00 54.58 54.59 3i3x n ASN 115 Cb 0.33 -3.90 -0.05 0.00 -0.61 0.00 0.00 39.78 35.55 3i3x n ASN 115 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i3x s SER 116 N -2.27 6.62 -0.05 6.41 1.04 -0.81 -3.91 113.70 120.74 3i3x s SER 116 Ca 0.00 1.82 0.04 0.00 0.48 0.00 0.00 55.95 58.29 3i3x s SER 116 Cb 0.00 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 3i3x s SER 116 CO 0.00 -0.58 -0.16 -2.28 0.98 0.00 0.00 173.24 171.20 3i3x s HIS 117 N -2.07 1.65 -0.23 5.02 5.04 -0.03 -1.03 115.29 123.64 3i3x s HIS 117 Ca 0.65 -0.49 0.02 0.00 -1.54 0.00 0.00 55.06 53.69 3i3x s HIS 117 Cb -0.13 -1.12 0.05 0.00 0.04 0.00 0.00 32.58 31.41 3i3x s HIS 117 CO 0.17 -0.18 -0.12 0.08 -2.34 0.00 0.00 174.74 172.34 3i3x s VAL 118 N 0.14 1.99 0.90 0.89 1.01 -0.39 -1.64 120.40 123.31 3i3x s VAL 118 Ca -0.06 -1.33 -0.12 0.00 0.00 0.00 0.00 61.98 60.48 3i3x s VAL 118 Cb -0.12 -2.04 0.13 0.00 0.00 0.00 0.00 36.38 34.35 3i3x s VAL 118 CO 0.02 0.13 1.12 -0.83 0.00 0.00 0.00 175.10 175.54 3i3x s GLY 119 N 1.22 1.59 0.30 4.51 0.00 -0.74 -1.30 107.32 112.91 3i3x s GLY 119 Ca -0.04 -0.40 -0.29 0.00 0.00 0.00 0.00 44.72 43.99 3i3x s GLY 119 CO -0.07 0.14 1.28 -2.39 0.00 0.00 0.00 173.10 172.05 3i3x n HIS 120 N -3.78 2.07 -1.11 1.90 1.44 -1.26 -2.71 115.22 111.77 3i3x n HIS 120 Ca 0.06 0.54 -0.04 0.00 -2.01 0.00 0.00 57.72 56.28 3i3x n HIS 120 Cb 0.58 -2.40 -0.02 0.00 0.12 0.00 0.00 29.99 28.27 3i3x n HIS 120 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i3x n ASP 121 N 1.28 -4.22 -4.76 4.39 8.00 -1.26 -0.68 116.55 119.30 3i3x n ASP 121 Ca 0.08 0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.30 3i3x n ASP 121 Cb 0.34 -2.06 0.02 0.00 -0.02 0.00 0.00 41.12 39.40 3i3x n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3x s ILE 123 N -1.53 1.52 -0.08 0.00 -1.09 -0.59 -0.96 121.20 118.47 3i3x s ILE 123 Ca 0.72 -1.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 3i3x s ILE 123 Cb -0.31 -1.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.86 3i3x s ILE 123 CO 0.36 0.06 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.20 3i3x s LEU 124 N 1.43 2.55 0.00 2.97 1.02 0.94 -0.97 118.68 126.62 3i3x s LEU 124 Ca -0.03 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.80 3i3x s LEU 124 Cb -0.17 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.51 3i3x s LEU 124 CO -0.07 0.25 0.00 0.61 0.02 0.00 0.00 176.35 177.16 3i3x n GLY 125 N 2.91 0.43 3.50 -3.19 0.00 -0.89 -1.65 105.19 106.30 3i3x n GLY 125 Ca -0.18 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 3i3x n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3x s ASN 126 N -1.11 3.90 -1.69 1.61 0.01 -1.22 -2.32 114.94 114.12 3i3x s ASN 126 Ca 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 3i3x s ASN 126 Cb 0.00 -0.53 0.00 0.00 0.41 0.00 0.00 41.25 41.13 3i3x s ASN 126 CO 0.00 0.13 0.00 0.59 -1.51 0.00 0.00 177.10 176.31 3i3x n ASN 127 N 0.32 -4.95 -4.83 -1.22 3.02 -0.23 -0.97 115.26 106.38 3i3x n ASN 127 Ca -0.13 0.35 -0.33 0.00 -0.03 0.00 0.00 54.58 54.45 3i3x n ASN 127 Cb 0.55 -3.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 3i3x n ASN 127 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i3x s ASN 128 N -2.76 6.84 -0.14 6.41 0.01 -1.26 -3.73 114.94 120.30 3i3x s ASN 128 Ca 0.00 1.54 0.02 0.00 -0.71 0.00 0.00 52.86 53.71 3i3x s ASN 128 Cb 0.00 -2.48 0.01 0.00 0.41 0.00 0.00 41.25 39.19 3i3x s ASN 128 CO 0.00 -0.35 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.40 3i3x s ILE 129 N -2.20 1.99 -0.36 0.60 1.01 -0.44 -1.01 121.20 120.79 3i3x s ILE 129 Ca 0.59 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 3i3x s ILE 129 Cb -0.09 -1.77 0.05 0.00 0.01 0.00 0.00 42.46 40.66 3i3x s ILE 129 CO 0.17 0.54 0.15 -0.22 0.00 0.00 0.00 174.94 175.58 3i3x s LEU 130 N 0.94 4.60 0.85 2.97 2.96 0.36 -1.02 118.68 130.33 3i3x s LEU 130 Ca -0.04 -1.30 -0.12 0.00 -0.22 0.00 0.00 54.13 52.44 3i3x s LEU 130 Cb -0.15 -1.89 0.10 0.00 0.50 0.00 0.00 46.19 44.75 3i3x s LEU 130 CO -0.04 -0.39 1.15 -0.89 -1.32 0.00 0.00 176.35 174.85 3i3x s THR 131 N 1.38 2.18 -0.05 3.68 2.01 0.19 -0.70 115.64 124.34 3i3x s THR 131 Ca 0.00 0.06 -0.37 0.00 0.31 0.00 0.00 61.69 61.69 3i3x s THR 131 Cb -0.21 -2.92 -0.15 0.00 0.01 0.00 0.00 72.50 69.23 3i3x s THR 131 CO 0.02 -0.08 1.58 1.57 -0.69 0.00 0.00 174.62 177.02 3i3x n HIS 132 N -3.51 1.90 -1.14 4.92 -0.00 -1.26 -1.59 115.22 114.54 3i3x n HIS 132 Ca 0.07 0.47 -0.05 0.00 0.46 0.00 0.00 57.72 58.67 3i3x n HIS 132 Cb 0.60 -2.45 -0.02 0.00 -0.12 0.00 0.00 29.99 28.00 3i3x n HIS 132 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i3x n GLY 133 N 3.44 0.58 3.79 1.57 0.00 -0.68 -1.65 105.19 112.24 3i3x n GLY 133 Ca 0.21 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3i3x n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3x s ALA 134 N -1.67 2.94 -0.07 4.61 0.00 -0.62 -4.01 121.76 122.94 3i3x s ALA 134 Ca 0.00 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.65 3i3x s ALA 134 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.86 3i3x s ALA 134 CO 0.00 -0.33 -0.09 0.14 0.00 0.00 0.00 175.76 175.48 3i3x s VAL 135 N -1.82 0.97 -0.15 0.00 -7.23 0.12 -0.85 120.40 111.44 3i3x s VAL 135 Ca 0.64 -0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 60.42 3i3x s VAL 135 Cb -0.20 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 3i3x s VAL 135 CO 0.24 0.33 0.01 -0.76 -0.31 0.00 0.00 175.10 174.61 3i3x s LEU 136 N 1.03 3.52 1.13 1.32 1.43 -0.65 -1.34 118.68 125.12 3i3x s LEU 136 Ca -0.08 0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.85 3i3x s LEU 136 Cb -0.15 -1.85 0.25 0.00 0.03 0.00 0.00 46.19 44.47 3i3x s LEU 136 CO -0.00 0.22 1.13 0.00 0.23 0.00 0.00 176.35 177.92 3i3x s ALA 137 N 0.08 0.88 0.90 4.21 0.00 -0.45 -1.78 121.76 125.60 3i3x s ALA 137 Ca 0.02 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 3i3x s ALA 137 Cb -0.13 -2.93 0.14 0.00 0.00 0.00 0.00 23.12 20.20 3i3x s ALA 137 CO 0.02 -3.28 1.15 0.20 0.00 0.00 0.00 175.76 173.85 3i3x s GLY 138 N -3.91 1.73 -1.47 0.00 0.00 -1.26 -3.52 107.32 98.89 3i3x s GLY 138 Ca 0.70 0.61 -0.05 0.00 0.00 0.00 0.00 44.72 45.98 3i3x s GLY 138 CO 0.56 1.03 0.43 1.42 0.00 0.00 0.00 173.10 176.54 3i3x n HIS 139 N -4.15 -1.74 -3.61 1.90 8.25 0.14 -3.77 115.22 112.25 3i3x n HIS 139 Ca 0.12 0.38 -0.37 0.00 -0.26 0.00 0.00 57.72 57.59 3i3x n HIS 139 Cb 0.52 -3.87 -0.06 0.00 1.12 0.00 0.00 29.99 27.70 3i3x n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i3x s VAL 140 N -3.04 5.26 -0.16 1.59 1.01 -1.23 -1.34 120.40 122.49 3i3x s VAL 140 Ca 0.25 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3i3x s VAL 140 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3i3x s VAL 140 CO 0.31 0.51 -0.15 -0.89 0.00 0.00 0.00 175.10 174.88 3i3x s THR 141 N -0.45 2.62 -0.00 3.92 2.01 -0.76 -1.54 115.64 121.44 3i3x s THR 141 Ca 0.19 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.43 3i3x s THR 141 Cb -0.14 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 3i3x s THR 141 CO 0.07 0.51 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.73 3i3x s LEU 142 N 0.88 3.40 0.00 4.42 1.02 -0.15 -0.64 118.68 127.62 3i3x s LEU 142 Ca -0.04 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.06 3i3x s LEU 142 Cb -0.15 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.12 3i3x s LEU 142 CO -0.01 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.25 3i3x n GLY 143 N 1.49 0.75 3.40 -3.19 0.00 -0.74 -2.10 105.19 104.79 3i3x n GLY 143 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3i3x n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3x s ASN 144 N -1.00 3.41 -1.53 1.61 0.01 -1.26 -2.33 114.94 113.85 3i3x s ASN 144 Ca 0.00 -0.61 0.00 0.00 -0.71 0.00 0.00 52.86 51.54 3i3x s ASN 144 Cb 0.00 -0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.31 3i3x s ASN 144 CO 0.00 0.22 0.00 0.49 -1.51 0.00 0.00 177.10 176.30 3i3x n PHE 145 N 1.34 -1.00 -2.67 2.20 3.72 -0.15 -1.30 117.46 119.60 3i3x n PHE 145 Ca -0.17 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.83 3i3x n PHE 145 Cb 0.52 -3.37 -0.05 0.00 -0.94 0.00 0.00 39.48 35.64 3i3x n PHE 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3x s ALA 146 N -2.78 3.33 -0.23 4.37 0.00 -1.26 -2.98 121.76 122.21 3i3x s ALA 146 Ca 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 3i3x s ALA 146 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3i3x s ALA 146 CO 0.00 0.04 -0.04 0.12 0.00 0.00 0.00 175.76 175.89 3i3x s PHE 147 N -0.76 3.00 -0.25 0.00 5.36 0.55 -1.32 117.98 124.56 3i3x s PHE 147 Ca 0.44 -1.11 -0.05 0.00 -0.96 0.00 0.00 56.93 55.25 3i3x s PHE 147 Cb -0.27 -2.11 -0.01 0.00 -0.34 0.00 0.00 43.02 40.30 3i3x s PHE 147 CO 0.33 -0.60 0.01 0.42 -1.46 0.00 0.00 175.22 173.91 3i3x s ILE 148 N 1.44 3.66 0.49 3.12 -1.09 -0.19 -0.62 121.20 128.01 3i3x s ILE 148 Ca 0.04 -0.52 -0.08 0.00 -2.23 0.00 0.00 60.65 57.87 3i3x s ILE 148 Cb -0.15 -2.75 0.11 0.00 -1.58 0.00 0.00 42.46 38.10 3i3x s ILE 148 CO -0.03 0.31 0.67 -0.24 -1.23 0.00 0.00 174.94 174.42 3i3x n SER 149 N 4.83 0.10 -4.76 3.58 2.88 0.71 -0.64 113.62 120.31 3i3x n SER 149 Ca -0.17 -1.27 -0.41 0.00 -1.33 0.00 0.00 58.87 55.69 3i3x n SER 149 Cb 0.50 -0.51 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3i3x n SER 149 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3i3x s GLY 150 N -4.44 2.73 -1.53 0.46 0.00 -1.26 -3.49 107.32 99.79 3i3x s GLY 150 Ca 0.38 1.40 0.00 0.00 0.00 0.00 0.00 44.72 46.50 3i3x s GLY 150 CO 0.27 2.17 0.00 1.04 0.00 0.00 0.00 173.10 176.57 3i3x n LEU 151 N 1.20 -1.56 -4.77 0.66 4.77 -0.66 -0.40 117.00 116.25 3i3x n LEU 151 Ca 0.03 0.12 -0.39 0.00 -0.03 0.00 0.00 56.01 55.74 3i3x n LEU 151 Cb 0.40 -2.59 -0.05 0.00 -2.33 0.00 0.00 43.42 38.85 3i3x n LEU 151 CO 0.61 -0.29 0.71 -0.69 -1.33 0.00 0.00 177.39 176.40 3i3x s VAL 152 N -2.81 3.87 -0.15 4.08 1.01 -1.23 -3.84 120.40 121.34 3i3x s VAL 152 Ca 0.00 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.69 3i3x s VAL 152 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3i3x s VAL 152 CO 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 175.10 175.19 3i3x s ALA 153 N -1.39 2.42 -0.14 5.51 0.00 -0.98 0.12 121.76 127.29 3i3x s ALA 153 Ca 0.48 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3i3x s ALA 153 Cb -0.25 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 3i3x s ALA 153 CO 0.31 -0.04 -0.14 0.08 0.00 0.00 0.00 175.76 175.97 3i3x s VAL 154 N 0.83 2.83 0.45 0.00 1.01 -0.45 -0.55 120.40 124.52 3i3x s VAL 154 Ca -0.06 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 3i3x s VAL 154 Cb -0.15 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.96 3i3x s VAL 154 CO -0.01 0.52 1.09 -2.28 0.00 0.00 0.00 175.10 174.42 3i3x s HIS 155 N 0.62 3.02 0.38 5.22 2.46 0.69 -1.34 115.29 126.33 3i3x s HIS 155 Ca -0.08 1.59 -0.24 0.00 0.47 0.00 0.00 55.06 56.79 3i3x s HIS 155 Cb -0.16 -3.20 -0.13 0.00 -0.13 0.00 0.00 32.58 28.96 3i3x s HIS 155 CO 0.03 -1.03 0.73 1.04 -2.47 0.00 0.00 174.74 173.03 3i3x n GLN 156 N -0.55 0.83 -0.97 2.88 6.02 -1.26 -2.99 117.38 121.33 3i3x n GLN 156 Ca 0.07 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 3i3x n GLN 156 Cb 0.50 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3i3x n GLN 156 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3i3x n PHE 157 N -0.51 0.00 -2.93 1.08 3.72 -0.45 -4.96 117.46 113.41 3i3x n PHE 157 Ca 0.11 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.16 3i3x n PHE 157 Cb 0.37 -0.46 -0.06 0.00 -0.94 0.00 0.00 39.48 38.38 3i3x n PHE 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3x s PHE 159 N -1.80 3.11 -0.19 0.00 0.40 -1.26 -1.83 117.98 116.41 3i3x s PHE 159 Ca 0.52 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 57.01 3i3x s PHE 159 Cb -0.14 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.67 3i3x s PHE 159 CO 0.19 0.45 -0.18 0.08 0.70 0.00 0.00 175.22 176.46 3i3x s VAL 160 N -0.94 2.09 0.93 -0.44 1.01 0.19 -0.99 120.40 122.25 3i3x s VAL 160 Ca 0.15 -1.05 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 3i3x s VAL 160 Cb -0.11 -1.93 0.15 0.00 0.00 0.00 0.00 36.38 34.49 3i3x s VAL 160 CO 0.05 0.45 1.16 -0.83 0.00 0.00 0.00 175.10 175.93 3i3x s GLY 161 N 1.26 1.60 0.50 4.51 0.00 0.11 -1.79 107.32 113.52 3i3x s GLY 161 Ca 0.03 -0.66 -0.23 0.00 0.00 0.00 0.00 44.72 43.85 3i3x s GLY 161 CO -0.12 -0.05 1.39 0.99 0.00 0.00 0.00 173.10 175.31 3i3x s ASP 162 N -4.18 5.54 -1.66 1.64 1.01 -1.26 -3.31 116.67 114.46 3i3x s ASP 162 Ca 0.66 2.85 0.00 0.00 0.71 0.00 0.00 52.55 56.76 3i3x s ASP 162 Cb -0.13 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.16 3i3x s ASP 162 CO 0.53 -1.39 0.00 -1.22 0.21 0.00 0.00 175.17 173.30 3i3x n TYR 163 N -0.64 -0.79 -3.31 4.23 4.02 -0.42 -1.36 117.16 118.88 3i3x n TYR 163 Ca 0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.73 3i3x n TYR 163 Cb 0.43 -3.40 -0.01 0.00 -0.02 0.00 0.00 39.34 36.35 3i3x n TYR 163 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3x s SER 164 N -2.21 6.24 -0.02 7.72 1.04 -1.21 -3.93 113.70 121.33 3i3x s SER 164 Ca 0.00 0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.92 3i3x s SER 164 Cb 0.00 -1.97 -0.01 0.00 0.10 0.00 0.00 66.02 64.14 3i3x s SER 164 CO 0.00 -0.35 -0.19 -0.32 0.98 0.00 0.00 173.24 173.35 3i3x s MET 165 N -4.36 1.59 -0.23 4.02 1.75 0.57 -0.33 119.30 122.32 3i3x s MET 165 Ca 0.41 -0.70 0.01 0.00 -1.25 0.00 0.00 55.69 54.17 3i3x s MET 165 Cb -0.10 -1.53 0.04 0.00 2.84 0.00 0.00 34.83 36.08 3i3x s MET 165 CO 0.36 0.42 -0.13 0.08 -0.65 0.00 0.00 175.02 175.10 3i3x s VAL 166 N -0.45 2.32 0.76 10.11 1.01 0.20 -1.15 120.40 133.21 3i3x s VAL 166 Ca 0.07 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.74 3i3x s VAL 166 Cb -0.08 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.18 3i3x s VAL 166 CO -0.01 0.25 1.09 0.00 0.00 0.00 0.00 175.10 176.44 3i3x s ALA 167 N 1.23 2.27 0.24 5.51 0.00 -0.36 -0.21 121.76 130.44 3i3x s ALA 167 Ca -0.01 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.95 3i3x s ALA 167 Cb -0.16 -3.28 -0.14 0.00 0.00 0.00 0.00 23.12 19.53 3i3x s ALA 167 CO -0.08 -1.72 1.16 0.41 0.00 0.00 0.00 175.76 175.53 3i3x n GLY 168 N -1.09 0.10 2.45 0.00 0.00 -1.26 -2.82 105.19 102.57 3i3x n GLY 168 Ca 0.09 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 3i3x n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i3x n LEU 169 N 1.68 -0.62 -4.78 0.99 4.77 0.46 -4.79 117.00 114.71 3i3x n LEU 169 Ca 0.12 0.26 -0.37 0.00 -0.03 0.00 0.00 56.01 55.98 3i3x n LEU 169 Cb 0.29 -1.99 -0.06 0.00 -2.33 0.00 0.00 43.42 39.33 3i3x n LEU 169 CO 0.61 -0.70 0.67 0.00 -1.33 0.00 0.00 177.39 176.64 3i3x s ALA 170 N -2.24 3.22 -0.38 -1.18 0.00 -1.13 -4.71 121.76 115.35 3i3x s ALA 170 Ca 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 3i3x s ALA 170 Cb 0.00 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.96 3i3x s ALA 170 CO 0.00 0.12 0.20 0.21 0.00 0.00 0.00 175.76 176.29 3i3x s LYS 171 N -1.96 2.74 -0.29 0.00 2.20 -0.57 -2.31 119.74 119.54 3i3x s LYS 171 Ca 0.50 -1.18 -0.11 0.00 -0.36 0.00 0.00 55.97 54.82 3i3x s LYS 171 Cb -0.21 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 3i3x s LYS 171 CO 0.26 -0.75 0.18 0.08 -0.36 0.00 0.00 175.35 174.77 3i3x s VAL 172 N 1.50 5.08 -0.04 4.02 1.01 0.29 -3.81 120.40 128.45 3i3x s VAL 172 Ca 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3i3x s VAL 172 Cb -0.20 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3i3x s VAL 172 CO 0.05 0.18 0.05 1.33 0.00 0.00 0.00 175.10 176.71 3i3x n VAL 173 N 5.04 0.00 -4.37 2.92 0.24 -1.26 -0.22 118.33 120.68 3i3x n VAL 173 Ca -0.14 -0.26 -0.20 0.00 -2.04 0.00 0.00 64.34 61.70 3i3x n VAL 173 Cb 0.51 0.74 -0.09 0.00 -1.47 0.00 0.00 33.84 33.53 3i3x n VAL 173 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3i3x s GLN 174 N -1.62 1.68 0.60 7.34 -0.21 -1.26 -4.89 119.66 121.31 3i3x s GLN 174 Ca 0.00 -1.97 -0.19 0.00 0.02 0.00 0.00 55.36 53.21 3i3x s GLN 174 Cb 0.01 -0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.80 3i3x s GLN 174 CO 0.07 -0.46 1.30 -0.51 -2.12 0.00 0.00 175.29 173.56 3i3x s ASP 175 N -3.42 4.93 -0.35 5.90 1.01 -0.07 -4.51 116.67 120.16 3i3x s ASP 175 Ca 0.34 2.63 -0.13 0.00 0.71 0.00 0.00 52.55 56.10 3i3x s ASP 175 Cb 0.04 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 3i3x s ASP 175 CO 0.18 -1.79 0.24 -0.69 0.21 0.00 0.00 175.17 173.32 3i3x s VAL 176 N -1.39 5.19 0.65 -1.27 1.01 -0.17 -1.17 120.40 123.24 3i3x s VAL 176 Ca 0.78 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 3i3x s VAL 176 Cb -0.37 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3i3x s VAL 176 CO 0.41 -0.07 1.07 -2.16 0.00 0.00 0.00 175.10 174.35 3i3x s PRO 177 N 1.70 3.04 0.51 2.72 0.04 -1.26 -0.71 135.00 141.04 3i3x s PRO 177 Ca 0.06 1.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.05 3i3x s PRO 177 Cb -0.18 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 3i3x s PRO 177 CO 0.10 -1.03 1.11 -2.30 0.04 0.00 0.00 177.00 174.92 3i3x n PRO 178 N -2.50 1.37 -1.05 0.56 -0.02 -1.26 -2.72 135.00 129.38 3i3x n PRO 178 Ca 0.09 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 62.05 3i3x n PRO 178 Cb 0.53 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 3i3x n PRO 178 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i3x n TYR 179 N -0.99 0.00 -4.29 6.00 4.01 -0.47 -4.93 117.16 116.51 3i3x n TYR 179 Ca 0.11 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.60 3i3x n TYR 179 Cb 0.43 -1.46 -0.08 0.00 -0.31 0.00 0.00 39.34 37.92 3i3x n TYR 179 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3i3x s SER 180 N -2.11 4.27 -0.12 7.72 0.01 -1.10 0.12 113.70 122.49 3i3x s SER 180 Ca 0.00 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.27 3i3x s SER 180 Cb 0.00 -0.53 -0.00 0.00 0.21 0.00 0.00 66.02 65.70 3i3x s SER 180 CO 0.00 -0.33 -0.20 -0.89 0.41 0.00 0.00 173.24 172.22 3i3x s THR 181 N -2.54 2.31 -0.02 1.44 2.01 -0.44 -0.31 115.64 118.10 3i3x s THR 181 Ca 0.37 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.50 3i3x s THR 181 Cb 0.01 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 3i3x s THR 181 CO 0.20 0.55 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.82 3i3x s VAL 182 N 0.52 2.82 -0.16 3.82 1.01 -0.30 0.06 120.40 128.16 3i3x s VAL 182 Ca -0.13 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.70 3i3x s VAL 182 Cb -0.17 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.15 3i3x s VAL 182 CO 0.05 0.51 0.57 -0.62 0.00 0.00 0.00 175.10 175.60 3i3x s ASP 183 N -0.94 -0.56 0.00 3.32 2.15 -0.70 -1.23 116.67 118.72 3i3x s ASP 183 Ca 0.12 0.94 0.00 0.00 0.43 0.00 0.00 52.55 54.05 3i3x s ASP 183 Cb -0.10 0.94 0.00 0.00 -0.30 0.00 0.00 42.92 43.46 3i3x s ASP 183 CO 0.02 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 3i3x n GLY 184 N 2.21 -0.21 2.88 2.66 0.00 -1.26 -1.19 105.19 110.28 3i3x n GLY 184 Ca -0.16 -2.28 -0.11 0.00 0.00 0.00 0.00 46.02 43.47 3i3x n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3x s ASN 185 N -0.46 0.55 0.43 1.61 2.47 -1.26 -1.52 114.94 116.77 3i3x s ASN 185 Ca 0.00 -0.84 -0.24 0.00 0.42 0.00 0.00 52.86 52.19 3i3x s ASN 185 Cb 0.00 0.97 -0.08 0.00 -1.45 0.00 0.00 41.25 40.69 3i3x s ASN 185 CO 0.00 -0.31 1.19 -2.16 -3.72 0.00 0.00 177.10 172.10 3i3x s PRO 186 N 2.10 3.87 0.46 0.43 0.04 -1.26 -5.06 135.00 135.58 3i3x s PRO 186 Ca 0.13 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 3i3x s PRO 186 Cb -0.13 -2.55 -0.09 0.00 0.04 0.00 0.00 34.50 31.78 3i3x s PRO 186 CO -0.20 -0.48 0.92 -1.54 0.04 0.00 0.00 177.00 175.74 3i3x s SER 187 N -1.19 6.71 0.05 6.66 1.04 -1.11 -4.99 113.70 120.88 3i3x s SER 187 Ca 0.61 1.51 -0.02 0.00 0.48 0.00 0.00 55.95 58.53 3i3x s SER 187 Cb -0.31 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.30 3i3x s SER 187 CO 0.38 -0.46 -0.01 0.42 0.98 0.00 0.00 173.24 174.55 3i3x s THR 188 N -2.40 0.21 -0.21 2.02 -4.23 -0.33 -4.62 115.64 106.08 3i3x s THR 188 Ca 0.58 -1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 59.04 3i3x s THR 188 Cb -0.10 -1.50 -0.02 0.00 1.34 0.00 0.00 72.50 72.23 3i3x s THR 188 CO 0.25 -0.97 1.51 -0.69 -0.54 0.00 0.00 174.62 174.18 3i3x s VAL 189 N -3.89 3.85 0.02 2.29 1.01 0.42 -1.72 120.40 122.37 3i3x s VAL 189 Ca 0.07 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.05 3i3x s VAL 189 Cb 0.08 -3.81 -0.25 0.00 0.00 0.00 0.00 36.38 32.39 3i3x s VAL 189 CO -0.10 -0.29 0.89 0.58 0.00 0.00 0.00 175.10 176.18 3i3x h VAL 190 N 5.97 1.19 0.00 2.92 2.07 -0.72 -0.26 116.25 127.43 3i3x h VAL 190 Ca -0.32 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.30 3i3x h VAL 190 Cb 1.14 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 3i3x h VAL 190 CO 1.00 0.78 0.00 0.61 0.02 0.00 0.00 177.57 179.98 3i3x n GLY 191 N 1.58 -0.82 3.77 2.17 0.00 -1.24 -4.90 105.19 105.75 3i3x n GLY 191 Ca -0.13 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 3i3x n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3x s LEU 192 N 0.00 4.39 -1.27 0.99 1.43 -1.26 -1.32 118.68 121.63 3i3x s LEU 192 Ca 0.00 2.11 -0.16 0.00 -1.03 0.00 0.00 54.13 55.05 3i3x s LEU 192 Cb 0.00 -3.87 0.11 0.00 0.03 0.00 0.00 46.19 42.46 3i3x s LEU 192 CO 0.00 -0.23 1.65 -3.20 0.23 0.00 0.00 176.35 174.80 3i3x n ASN 193 N 0.70 5.00 -0.09 2.29 5.15 0.33 -4.59 115.26 124.05 3i3x n ASN 193 Ca 0.01 -2.94 -0.11 0.00 -0.60 0.00 0.00 54.58 50.94 3i3x n ASN 193 Cb 0.47 -1.67 0.02 0.00 -0.53 0.00 0.00 39.78 38.07 3i3x n ASN 193 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3i3x h SER 194 N 7.29 0.89 -0.42 1.20 0.02 -1.94 -2.13 113.55 118.46 3i3x h SER 194 Ca 0.41 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3i3x h SER 194 Cb 0.85 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 3i3x h SER 194 CO 1.41 1.15 0.23 0.58 -1.14 0.00 0.00 176.83 179.06 3i3x h VAL 195 N 0.70 1.02 -0.06 2.27 2.07 -1.98 0.78 116.25 121.04 3i3x h VAL 195 Ca 0.07 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3i3x h VAL 195 Cb 0.92 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3i3x h VAL 195 CO 0.08 0.09 -0.09 1.23 0.02 0.00 0.00 177.57 178.90 3i3x h GLY 196 N 0.47 0.09 1.45 2.17 0.00 -1.84 0.12 103.07 105.53 3i3x h GLY 196 Ca 0.17 -0.04 -0.29 0.00 0.00 0.00 0.00 47.33 47.17 3i3x h GLY 196 CO -0.09 0.04 -1.37 -0.33 0.00 0.00 0.00 176.54 174.78 3i3x h MET 197 N 0.08 0.26 -0.14 4.80 2.86 -0.65 -3.13 114.93 119.01 3i3x h MET 197 Ca 0.02 -0.44 -0.14 0.00 -2.06 0.00 0.00 59.70 57.09 3i3x h MET 197 Cb 0.21 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3i3x h MET 197 CO 0.01 1.16 -0.44 0.87 1.06 0.00 0.00 176.91 179.57 3i3x h LYS 198 N 0.07 0.55 -0.88 1.72 1.57 0.82 -1.60 116.57 118.81 3i3x h LYS 198 Ca -0.18 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.17 3i3x h LYS 198 Cb 1.99 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 34.33 3i3x h LYS 198 CO 0.18 1.02 0.46 -0.09 -0.57 0.00 0.00 179.45 180.46 3i3x h ARG 199 N 0.17 1.25 -0.05 3.15 2.43 -0.92 -1.12 114.38 119.29 3i3x h ARG 199 Ca -0.02 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 58.88 3i3x h ARG 199 Cb 1.07 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3i3x h ARG 199 CO 0.09 0.93 -0.47 0.00 -1.51 0.00 0.00 179.97 179.02 3i3x h ALA 200 N 1.26 1.13 -4.49 2.80 0.00 -1.60 -3.49 119.26 114.85 3i3x h ALA 200 Ca 0.31 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i3x h ALA 200 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i3x h ALA 200 CO -0.05 0.61 -0.52 0.41 0.00 0.00 0.00 179.25 179.71 3i3x n GLY 201 N -0.11 -2.55 3.97 0.00 0.00 -0.43 -5.07 105.19 101.00 3i3x n GLY 201 Ca -0.02 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.31 3i3x n GLY 201 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3x s PHE 202 N -1.58 3.17 0.41 1.61 0.08 -1.13 -5.04 117.98 115.50 3i3x s PHE 202 Ca 0.08 0.07 -0.24 0.00 0.12 0.00 0.00 56.93 56.96 3i3x s PHE 202 Cb -0.02 -2.23 -0.08 0.00 -0.57 0.00 0.00 43.02 40.11 3i3x s PHE 202 CO 0.53 -0.27 1.12 0.45 -0.10 0.00 0.00 175.22 176.94 3i3x s SER 203 N -4.21 6.57 0.33 1.36 0.15 -1.26 -4.87 113.70 111.77 3i3x s SER 203 Ca 0.48 2.21 0.03 0.00 0.70 0.00 0.00 55.95 59.37 3i3x s SER 203 Cb -0.10 -2.60 0.59 0.00 -1.71 0.00 0.00 66.02 62.20 3i3x s SER 203 CO 0.36 -0.63 1.91 -0.65 1.20 0.00 0.00 173.24 175.42 3i3x h PRO 204 N 2.51 0.66 -0.36 5.44 0.11 -1.98 0.37 132.00 138.75 3i3x h PRO 204 Ca -0.49 -0.11 0.07 0.00 0.11 0.00 0.00 66.00 65.59 3i3x h PRO 204 Cb 1.23 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3i3x h PRO 204 CO 0.62 0.58 -0.03 0.93 -0.21 0.00 0.00 178.00 179.89 3i3x h GLU 205 N 0.65 0.07 -0.18 1.05 3.07 -1.99 -1.74 114.58 115.51 3i3x h GLU 205 Ca 0.15 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.91 3i3x h GLU 205 Cb 0.20 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3i3x h GLU 205 CO -0.01 0.04 -0.29 0.28 -1.40 0.00 0.00 179.01 177.63 3i3x h VAL 206 N 0.07 1.34 -0.27 3.13 2.07 -1.63 -2.64 116.25 118.32 3i3x h VAL 206 Ca 0.18 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 3i3x h VAL 206 Cb 0.25 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3i3x h VAL 206 CO -0.32 0.46 0.17 0.03 0.02 0.00 0.00 177.57 177.93 3i3x h ARG 207 N 0.17 0.37 0.00 1.57 3.08 -0.27 -0.98 114.38 118.32 3i3x h ARG 207 Ca 0.02 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 3i3x h ARG 207 Cb 0.87 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3i3x h ARG 207 CO 0.07 0.28 -0.44 -0.91 -1.07 0.00 0.00 179.97 177.89 3i3x h ASN 208 N 0.35 0.00 0.29 7.04 2.35 -1.38 0.26 115.58 124.49 3i3x h ASN 208 Ca 0.10 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.68 3i3x h ASN 208 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3i3x h ASN 208 CO -0.02 0.44 -0.69 0.00 -1.65 0.00 0.00 177.43 175.51 3i3x h ALA 209 N 1.56 0.66 0.03 -0.83 0.00 -1.25 0.15 119.26 119.58 3i3x h ALA 209 Ca -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3i3x h ALA 209 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i3x h ALA 209 CO 0.06 0.76 -0.02 0.82 0.00 0.00 0.00 179.25 180.87 3i3x h ILE 210 N 0.25 1.28 -0.59 0.00 2.04 -0.77 -0.91 117.51 118.81 3i3x h ILE 210 Ca -0.02 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 64.88 3i3x h ILE 210 Cb 1.25 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 39.24 3i3x h ILE 210 CO 0.12 0.26 0.29 0.50 0.00 0.00 0.00 178.15 179.32 3i3x h LYS 211 N -0.49 0.52 -0.43 2.37 3.64 -0.50 -1.84 116.57 119.84 3i3x h LYS 211 Ca -0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3i3x h LYS 211 Cb 0.46 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3i3x h LYS 211 CO 0.01 0.35 0.20 1.25 -2.27 0.00 0.00 179.45 178.98 3i3x h HIS 212 N 0.54 0.63 -0.57 1.91 2.76 -0.73 -0.45 115.15 119.24 3i3x h HIS 212 Ca 0.28 -0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.50 3i3x h HIS 212 Cb 0.23 -0.19 -0.07 0.00 1.55 0.00 0.00 27.41 28.92 3i3x h HIS 212 CO -0.11 0.53 0.18 0.00 -1.30 0.00 0.00 177.93 177.23 3i3x h ALA 213 N 1.04 0.71 0.00 5.26 0.00 -0.75 -0.95 119.26 124.57 3i3x h ALA 213 Ca 0.15 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3i3x h ALA 213 Cb 0.14 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i3x h ALA 213 CO -0.02 -0.24 -0.30 1.88 0.00 0.00 0.00 179.25 180.58 3i3x h TYR 214 N 0.34 0.00 -0.38 0.00 0.05 -1.04 -0.81 116.97 115.13 3i3x h TYR 214 Ca 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 3i3x h TYR 214 Cb 0.37 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3i3x h TYR 214 CO -0.19 0.30 0.18 -0.22 -1.05 0.00 0.00 178.16 177.18 3i3x h LYS 215 N 0.00 0.55 -0.08 4.88 3.64 -0.47 0.67 116.57 125.77 3i3x h LYS 215 Ca -0.00 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3i3x h LYS 215 Cb 1.09 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3i3x h LYS 215 CO 0.04 0.49 -0.00 0.28 -2.27 0.00 0.00 179.45 177.99 3i3x h VAL 216 N 0.48 1.26 -0.41 2.00 2.07 -0.98 0.29 116.25 120.95 3i3x h VAL 216 Ca 0.13 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3i3x h VAL 216 Cb 0.12 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3i3x h VAL 216 CO -0.02 0.23 0.19 0.40 0.02 0.00 0.00 177.57 178.39 3i3x h ILE 217 N -0.16 1.18 0.00 4.57 2.04 -1.11 -3.37 117.51 120.66 3i3x h ILE 217 Ca 0.02 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3i3x h ILE 217 Cb 0.36 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3i3x h ILE 217 CO 0.00 0.20 -1.12 -1.22 0.00 0.00 0.00 178.15 176.01 3i3x n TYR 218 N -4.67 0.00 -1.58 1.37 4.01 0.22 -4.70 117.16 111.82 3i3x n TYR 218 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 3i3x n TYR 218 Cb 0.12 -0.11 0.10 0.00 -0.31 0.00 0.00 39.34 39.14 3i3x n TYR 218 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3i3x n HIS 219 N -1.62 0.00 0.05 -0.72 8.25 0.96 -4.70 115.22 117.44 3i3x n HIS 219 Ca -0.01 -0.78 0.02 0.00 -0.26 0.00 0.00 57.72 56.69 3i3x n HIS 219 Cb 0.14 -0.14 0.03 0.00 1.12 0.00 0.00 29.99 31.13 3i3x n HIS 219 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i3x n SER 220 N -0.78 1.69 -1.94 0.41 7.64 -0.87 -4.88 113.62 114.89 3i3x n SER 220 Ca 0.11 -1.51 -0.18 0.00 1.01 0.00 0.00 58.87 58.30 3i3x n SER 220 Cb 0.72 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 3i3x n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3x n GLY 221 N -0.01 -0.02 3.43 0.23 0.00 -1.26 -5.02 105.19 102.55 3i3x n GLY 221 Ca 0.02 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 3i3x n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i3x s ILE 222 N -2.86 2.34 0.71 -0.61 -4.36 -1.26 -5.13 121.20 110.03 3i3x s ILE 222 Ca 0.00 -2.17 -0.16 0.00 -0.26 0.00 0.00 60.65 58.06 3i3x s ILE 222 Cb 0.00 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.57 3i3x s ILE 222 CO 0.00 -0.26 1.25 -0.94 0.24 0.00 0.00 174.94 175.24 3i3x s SER 223 N -3.01 4.22 0.27 4.36 1.04 -1.26 -4.78 113.70 114.53 3i3x s SER 223 Ca 0.24 2.50 0.00 0.00 0.48 0.00 0.00 55.95 59.17 3i3x s SER 223 Cb -0.06 -2.60 0.53 0.00 0.10 0.00 0.00 66.02 63.99 3i3x s SER 223 CO 0.11 -2.26 1.82 0.74 0.98 0.00 0.00 173.24 174.63 3i3x h THR 224 N -0.04 0.88 -0.25 2.02 2.02 -1.95 0.39 112.91 115.98 3i3x h THR 224 Ca -0.49 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 66.43 3i3x h THR 224 Cb 1.32 -0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3i3x h THR 224 CO 0.50 0.16 -0.07 -0.09 0.37 0.00 0.00 175.52 176.40 3i3x h ARG 225 N 0.90 -0.01 -0.28 6.66 2.43 -1.98 -0.84 114.38 121.26 3i3x h ARG 225 Ca 0.48 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.58 3i3x h ARG 225 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3i3x h ARG 225 CO -0.28 -0.01 -0.12 0.87 -1.51 0.00 0.00 179.97 178.92 3i3x h LYS 226 N -0.01 0.57 -0.54 0.20 1.57 -1.82 -2.94 116.57 113.60 3i3x h LYS 226 Ca 0.12 -0.24 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3i3x h LYS 226 Cb 0.20 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 3i3x h LYS 226 CO -0.27 0.80 0.20 0.00 -0.57 0.00 0.00 179.45 179.62 3i3x h ALA 227 N 0.75 0.67 0.47 3.86 0.00 -0.65 -1.15 119.26 123.21 3i3x h ALA 227 Ca 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i3x h ALA 227 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i3x h ALA 227 CO 0.04 -0.19 -0.23 -0.07 0.00 0.00 0.00 179.25 178.80 3i3x h LEU 228 N 0.39 -0.53 -0.74 0.00 3.38 -1.18 -2.40 115.31 114.23 3i3x h LEU 228 Ca 0.26 -0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.37 3i3x h LEU 228 Cb 0.28 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.04 3i3x h LEU 228 CO -0.25 -0.31 0.05 0.44 0.09 0.00 0.00 178.44 178.46 3i3x h ASP 229 N -0.73 -0.25 0.02 -0.43 3.45 -1.40 -0.62 116.42 116.46 3i3x h ASP 229 Ca -0.06 0.18 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 3i3x h ASP 229 Cb 0.53 0.30 -0.00 0.00 -0.56 0.00 0.00 39.33 39.60 3i3x h ASP 229 CO 0.11 -0.15 -0.01 -0.33 -1.57 0.00 0.00 179.24 177.29 3i3x h GLU 230 N 0.14 0.00 0.00 3.56 5.08 -0.99 -2.95 114.58 119.42 3i3x h GLU 230 Ca 0.41 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.58 3i3x h GLU 230 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3i3x h GLU 230 CO -0.62 0.01 -1.35 -0.07 -1.00 0.00 0.00 179.01 175.98 3i3x h LEU 231 N 0.00 0.00 -1.36 1.33 3.38 -0.62 -3.41 115.31 114.63 3i3x h LEU 231 Ca -0.00 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.28 3i3x h LEU 231 Cb 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 3i3x h LEU 231 CO 0.00 0.68 0.71 -0.33 0.09 0.00 0.00 178.44 179.59 3i3x h GLU 232 N 0.00 0.31 -3.13 1.13 4.39 -1.21 -3.26 114.58 112.81 3i3x h GLU 232 Ca -0.16 -0.02 -0.42 0.00 0.34 0.00 0.00 59.36 59.10 3i3x h GLU 232 Cb 1.66 -0.07 -0.40 0.00 -0.10 0.00 0.00 28.75 29.85 3i3x h GLU 232 CO 0.06 0.20 -0.74 0.00 -1.16 0.00 0.00 179.01 177.37 3i3x s ALA 233 N -5.45 0.31 -0.22 3.43 0.00 -1.26 -4.96 121.76 113.60 3i3x s ALA 233 Ca -0.09 -0.07 0.11 0.00 0.00 0.00 0.00 51.96 51.92 3i3x s ALA 233 Cb 0.27 -0.88 0.44 0.00 0.00 0.00 0.00 23.12 22.95 3i3x s ALA 233 CO 0.80 -0.89 1.20 0.43 0.00 0.00 0.00 175.76 177.30 3i3x n SER 234 N 5.29 2.78 0.00 0.00 7.64 -1.23 -5.03 113.62 123.06 3i3x n SER 234 Ca -0.05 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.23 3i3x n SER 234 Cb 0.49 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3i3x n SER 234 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3x n GLY 235 N -0.82 0.52 3.49 0.23 0.00 -1.26 -4.83 105.19 102.53 3i3x n GLY 235 Ca 0.26 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 3i3x n GLY 235 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3x s ASN 236 N -4.00 6.27 0.03 1.61 2.47 -1.26 -5.03 114.94 115.03 3i3x s ASN 236 Ca 0.00 -0.60 -0.23 0.00 0.42 0.00 0.00 52.86 52.45 3i3x s ASN 236 Cb 0.00 -2.42 -0.06 0.00 -1.45 0.00 0.00 41.25 37.32 3i3x s ASN 236 CO 0.00 -1.30 0.68 -0.22 -3.72 0.00 0.00 177.10 172.54 3i3x s LEU 237 N 3.96 4.45 0.55 3.21 2.96 -1.26 -5.06 118.68 127.49 3i3x s LEU 237 Ca 0.27 1.32 -0.13 0.00 -0.22 0.00 0.00 54.13 55.36 3i3x s LEU 237 Cb -0.14 -3.07 -0.06 0.00 0.50 0.00 0.00 46.19 43.41 3i3x s LEU 237 CO 0.16 0.08 0.98 0.27 -1.32 0.00 0.00 176.35 176.52 3i3x s ILE 238 N -0.24 4.64 0.34 6.68 -4.36 -1.26 -4.93 121.20 122.07 3i3x s ILE 238 Ca 0.34 1.00 0.04 0.00 -0.26 0.00 0.00 60.65 61.77 3i3x s ILE 238 Cb -0.20 -3.79 0.29 0.00 1.25 0.00 0.00 42.46 40.01 3i3x s ILE 238 CO 0.20 -0.88 1.95 -0.33 0.24 0.00 0.00 174.94 176.13 3i3x h GLU 239 N 0.39 0.83 0.00 0.37 4.39 -1.99 -2.19 114.58 116.38 3i3x h GLU 239 Ca -0.46 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.13 3i3x h GLU 239 Cb 1.19 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3i3x h GLU 239 CO 0.62 0.55 -0.29 1.96 -1.16 0.00 0.00 179.01 180.69 3i3x h GLN 240 N 0.85 0.00 0.16 2.33 7.50 -1.96 -1.30 115.11 122.70 3i3x h GLN 240 Ca 0.33 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 59.19 3i3x h GLN 240 Cb 0.19 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.74 3i3x h GLN 240 CO -0.11 0.29 -1.36 0.28 -1.50 0.00 0.00 178.83 176.42 3i3x h VAL 241 N 0.00 1.17 -0.92 -0.54 2.07 -1.77 -2.53 116.25 113.72 3i3x h VAL 241 Ca -0.00 -2.51 0.13 0.00 0.82 0.00 0.00 66.70 65.14 3i3x h VAL 241 Cb 0.59 2.90 -0.07 0.00 -1.52 0.00 0.00 31.29 33.19 3i3x h VAL 241 CO 0.04 0.76 0.59 0.11 0.02 0.00 0.00 177.57 179.09 3i3x h LYS 242 N -0.14 0.76 0.11 1.57 1.57 -1.32 -1.35 116.57 117.76 3i3x h LYS 242 Ca -0.27 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 3i3x h LYS 242 Cb 1.89 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.03 3i3x h LYS 242 CO 0.15 0.50 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.56 3i3x h TYR 243 N 0.78 -0.14 -0.23 -1.35 -0.00 -1.26 -1.15 116.97 113.63 3i3x h TYR 243 Ca 0.46 -0.00 0.06 0.00 -0.00 0.00 0.00 58.73 59.24 3i3x h TYR 243 Cb 0.64 0.05 -0.07 0.00 -0.00 0.00 0.00 36.73 37.35 3i3x h TYR 243 CO -0.00 0.09 -0.25 0.82 -0.00 0.00 0.00 178.16 178.82 3i3x h ILE 244 N -0.35 0.39 -0.19 1.81 2.04 -1.05 0.16 117.51 120.31 3i3x h ILE 244 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 3i3x h ILE 244 Cb 0.29 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3i3x h ILE 244 CO 0.03 0.00 -0.09 0.40 0.00 0.00 0.00 178.15 178.48 3i3x h ILE 245 N -0.26 0.70 -0.69 -0.67 2.04 -1.22 -0.64 117.51 116.77 3i3x h ILE 245 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3i3x h ILE 245 Cb 0.46 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3i3x h ILE 245 CO -0.38 0.00 0.44 0.50 0.00 0.00 0.00 178.15 178.72 3i3x h LYS 246 N -0.07 0.93 -0.23 2.37 3.64 -0.82 0.80 116.57 123.19 3i3x h LYS 246 Ca 0.10 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3i3x h LYS 246 Cb 0.23 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3i3x h LYS 246 CO -0.24 0.63 0.08 0.35 -2.27 0.00 0.00 179.45 178.00 3i3x h PHE 247 N 0.94 0.14 -0.24 1.91 3.57 -0.12 0.13 116.94 123.27 3i3x h PHE 247 Ca 0.25 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3i3x h PHE 247 Cb -0.08 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3i3x h PHE 247 CO -0.02 0.07 0.06 0.74 -2.23 0.00 0.00 178.31 176.93 3i3x h PHE 248 N 0.19 0.40 -0.86 0.41 -1.00 -0.96 -2.79 116.94 112.33 3i3x h PHE 248 Ca 0.10 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.84 3i3x h PHE 248 Cb 0.07 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.47 3i3x h PHE 248 CO -0.12 0.47 0.57 0.00 -1.61 0.00 0.00 178.31 177.62 3i3x h ARG 249 N 0.21 1.13 -0.01 1.51 3.08 -0.54 -3.19 114.38 116.58 3i3x h ARG 249 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i3x h ARG 249 Cb 0.27 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i3x h ARG 249 CO 0.00 0.75 -0.22 -0.25 -1.07 0.00 0.00 179.97 179.18 3i3x n ASP 250 N -4.49 1.33 -4.68 7.04 8.00 0.42 -4.96 116.55 119.20 3i3x n ASP 250 Ca 0.09 -1.14 -0.44 0.00 0.71 0.00 0.00 54.79 54.01 3i3x n ASP 250 Cb 0.02 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 3i3x n ASP 250 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3i3x n SER 251 N -0.31 2.86 0.03 -2.24 2.88 -1.05 -4.92 113.62 110.87 3i3x n SER 251 Ca 0.13 1.14 -0.22 0.00 -1.33 0.00 0.00 58.87 58.60 3i3x n SER 251 Cb 0.37 -1.44 -0.14 0.00 -0.75 0.00 0.00 64.21 62.25 3i3x n SER 251 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3i3x h ASP 252 N 4.26 0.46 0.20 -3.46 3.32 -1.91 -3.38 116.42 115.91 3i3x h ASP 252 Ca -0.45 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 55.71 3i3x h ASP 252 Cb 1.27 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3i3x h ASP 252 CO 0.76 1.68 -0.98 0.54 -1.72 0.00 0.00 179.24 179.52 3i3x n ARG 253 N -3.81 0.12 0.00 3.56 1.74 -1.26 -5.08 116.66 111.92 3i3x n ARG 253 Ca -0.25 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 3i3x n ARG 253 Cb 0.96 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 3i3x n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3x n GLY 254 N 1.45 -0.09 3.87 -0.13 0.00 -1.26 -4.86 105.19 104.17 3i3x n GLY 254 Ca 0.03 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 3i3x n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3x s VAL 255 N -2.51 5.40 0.21 1.61 1.01 -1.26 -0.89 120.40 123.97 3i3x s VAL 255 Ca 0.00 0.33 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 3i3x s VAL 255 Cb 0.00 -3.47 -0.15 0.00 0.00 0.00 0.00 36.38 32.75 3i3x s VAL 255 CO 0.00 0.59 1.12 0.41 0.00 0.00 0.00 175.10 177.22 3i3x n THR 256 N 1.88 1.26 -1.63 3.92 -1.04 -0.32 -4.76 114.28 113.58 3i3x n THR 256 Ca -0.18 -0.31 -0.46 0.00 -2.04 0.00 0.00 64.05 61.06 3i3x n THR 256 Cb 0.54 -0.92 -0.03 0.00 -1.82 0.00 0.00 70.33 68.11 3i3x n THR 256 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3i3x n ASN 257 N 1.79 2.10 -4.78 8.00 5.03 -1.26 -4.52 115.26 121.61 3i3x n ASN 257 Ca 0.13 1.16 -0.37 0.00 0.87 0.00 0.00 54.58 56.37 3i3x n ASN 257 Cb 0.27 -1.35 -0.04 0.00 -1.02 0.00 0.00 39.78 37.65 3i3x n ASN 257 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 3i3x s HIS 258 N -0.38 3.24 -2.00 3.10 5.65 -1.26 -0.44 115.29 123.20 3i3x s HIS 258 Ca 0.67 1.63 0.10 0.00 0.25 0.00 0.00 55.06 57.71 3i3x s HIS 258 Cb -0.71 -3.17 0.60 0.00 -1.18 0.00 0.00 32.58 28.12 3i3x s HIS 258 CO 0.53 -0.73 1.04 -2.13 -0.65 0.00 0.00 174.74 172.81