#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 0.41 -0.21 0.03 2.47 -1.26 -5.02 119.74 116.16 3i3x s LYS 2 Ca 0.00 0.95 -0.07 0.00 -1.56 0.00 0.00 55.97 55.29 3i3x s LYS 2 Cb 0.00 0.56 -0.04 0.00 -1.46 0.00 0.00 37.83 36.90 3i3x s LYS 2 CO 0.00 -0.23 0.07 0.42 0.16 0.00 0.00 175.35 175.77 3i3x s ILE 3 N 2.72 4.58 0.21 5.43 1.01 -1.26 -2.53 121.20 131.35 3i3x s ILE 3 Ca 0.01 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 3i3x s ILE 3 Cb -0.10 -3.10 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 3i3x s ILE 3 CO -0.18 0.40 1.36 -2.28 0.00 0.00 0.00 174.94 174.24 3i3x s HIS 4 N 0.94 3.18 0.41 3.97 5.65 -0.03 -4.90 115.29 124.51 3i3x s HIS 4 Ca 0.04 1.14 0.22 0.00 0.25 0.00 0.00 55.06 56.70 3i3x s HIS 4 Cb -0.14 -3.68 1.20 0.00 -1.18 0.00 0.00 32.58 28.78 3i3x s HIS 4 CO 0.03 -2.17 1.73 -1.35 -0.65 0.00 0.00 174.74 172.33 3i3x h PRO 5 N 5.37 0.29 0.00 2.88 0.11 -1.95 0.82 132.00 139.52 3i3x h PRO 5 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i3x h PRO 5 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3i3x h PRO 5 CO 0.78 0.19 -0.08 0.25 -0.21 0.00 0.00 178.00 178.94 3i3x n THR 6 N -4.64 0.20 -2.12 -1.15 -2.24 -1.26 -4.82 114.28 98.25 3i3x n THR 6 Ca 0.28 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 3i3x n THR 6 Cb 1.03 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.04 3.63 -0.44 6.98 0.00 0.28 -3.95 121.76 125.21 3i3x s ALA 7 Ca 0.12 1.14 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 3i3x s ALA 7 Cb 0.17 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.75 3i3x s ALA 7 CO 0.58 -0.72 0.46 0.42 0.00 0.00 0.00 175.76 176.50 3i3x s ILE 8 N 1.39 5.08 -0.14 0.00 1.01 0.45 -4.94 121.20 124.05 3i3x s ILE 8 Ca 0.66 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.82 3i3x s ILE 8 Cb -0.38 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.02 3i3x s ILE 8 CO 0.30 -0.51 -0.13 -0.63 0.00 0.00 0.00 174.94 173.97 3i3x s ILE 9 N 2.13 1.44 0.22 2.92 1.01 -1.26 -0.14 121.20 127.53 3i3x s ILE 9 Ca 0.11 -0.56 -0.32 0.00 0.00 0.00 0.00 60.65 59.89 3i3x s ILE 9 Cb -0.19 -1.37 -0.13 0.00 0.01 0.00 0.00 42.46 40.78 3i3x s ILE 9 CO 0.12 0.44 1.52 -0.67 0.00 0.00 0.00 174.94 176.34 3i3x n ASP 10 N 4.74 3.14 0.23 3.58 -0.08 -0.19 -4.89 116.55 123.09 3i3x n ASP 10 Ca -0.16 1.12 0.16 0.00 -1.51 0.00 0.00 54.79 54.40 3i3x n ASP 10 Cb 0.50 -1.47 0.86 0.00 2.34 0.00 0.00 41.12 43.35 3i3x n ASP 10 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i3x h PRO 11 N 5.02 0.00 0.00 -0.67 0.13 -1.95 -2.03 132.00 132.50 3i3x h PRO 11 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3i3x h PRO 11 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3i3x h PRO 11 CO 0.82 0.00 -0.17 0.87 -0.23 0.00 0.00 178.00 179.29 3i3x h LYS 12 N 0.00 0.00 -6.81 0.86 1.79 -1.93 -3.46 116.57 107.02 3i3x h LYS 12 Ca 0.06 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.00 3i3x h LYS 12 Cb 0.34 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.07 3i3x h LYS 12 CO -0.00 0.00 0.78 0.00 -1.08 0.00 0.00 179.45 179.15 3i3x s ALA 13 N -3.14 3.64 -0.46 3.86 0.00 -0.77 -4.58 121.76 120.30 3i3x s ALA 13 Ca 0.09 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.38 3i3x s ALA 13 Cb 0.11 -3.58 0.11 0.00 0.00 0.00 0.00 23.12 19.76 3i3x s ALA 13 CO 0.64 -0.85 0.34 -1.21 0.00 0.00 0.00 175.76 174.68 3i3x s GLU 14 N -0.86 2.59 -0.14 0.00 2.02 0.85 -4.99 118.70 118.17 3i3x s GLU 14 Ca 0.58 -1.65 -0.02 0.00 0.02 0.00 0.00 54.97 53.91 3i3x s GLU 14 Cb -0.44 -3.93 -0.02 0.00 0.10 0.00 0.00 34.13 29.84 3i3x s GLU 14 CO 0.49 -1.13 -0.08 -0.51 0.02 0.00 0.00 175.26 174.05 3i3x s LEU 15 N 1.42 2.99 0.57 1.80 1.43 -1.26 -0.73 118.68 124.90 3i3x s LEU 15 Ca 0.05 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 3i3x s LEU 15 Cb -0.26 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 3i3x s LEU 15 CO 0.01 0.18 1.15 1.57 0.23 0.00 0.00 176.35 179.48 3i3x n HIS 16 N 3.43 1.51 -0.32 0.29 -0.00 -0.88 -4.88 115.22 114.37 3i3x n HIS 16 Ca -0.18 0.45 0.22 0.00 -0.00 0.00 0.00 57.72 58.20 3i3x n HIS 16 Cb 0.53 -2.24 0.49 0.00 -0.00 0.00 0.00 29.99 28.77 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 0.93 0.41 0.00 1.57 -0.00 -1.96 -0.70 114.58 114.83 3i3x h GLU 17 Ca -0.49 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 58.84 3i3x h GLU 17 Cb 1.34 -0.09 -0.00 0.00 -0.00 0.00 0.00 28.75 29.99 3i3x h GLU 17 CO 0.54 0.27 -0.03 0.66 -0.00 0.00 0.00 179.01 180.45 3i3x h SER 18 N 0.42 0.00 -2.44 3.06 4.64 -1.95 -3.38 113.55 113.90 3i3x h SER 18 Ca 0.58 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.37 3i3x h SER 18 Cb 1.42 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.53 3i3x h SER 18 CO -0.29 0.03 1.18 -0.69 -0.87 0.00 0.00 176.83 176.20 3i3x s VAL 19 N -3.59 2.90 -0.11 0.95 1.01 -0.27 -1.97 120.40 119.32 3i3x s VAL 19 Ca 0.02 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 3i3x s VAL 19 Cb 0.08 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3i3x s VAL 19 CO 0.58 -0.00 0.24 -1.61 0.00 0.00 0.00 175.10 174.30 3i3x s GLU 20 N 3.86 3.84 -0.08 2.72 2.02 -0.95 -4.17 118.70 125.94 3i3x s GLU 20 Ca 0.85 0.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.87 3i3x s GLU 20 Cb -0.43 -3.28 0.03 0.00 0.10 0.00 0.00 34.13 30.54 3i3x s GLU 20 CO 0.39 0.57 -0.04 0.08 0.02 0.00 0.00 175.26 176.29 3i3x s VAL 21 N -0.52 0.65 0.78 2.63 1.01 -1.05 0.15 120.40 124.06 3i3x s VAL 21 Ca 0.17 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3i3x s VAL 21 Cb -0.13 -0.74 0.14 0.00 0.00 0.00 0.00 36.38 35.65 3i3x s VAL 21 CO 0.05 0.30 1.08 -0.83 0.00 0.00 0.00 175.10 175.71 3i3x s GLY 22 N 1.70 1.76 0.33 4.51 0.00 0.43 -0.85 107.32 115.20 3i3x s GLY 22 Ca 0.02 -1.47 -0.29 0.00 0.00 0.00 0.00 44.72 42.99 3i3x s GLY 22 CO -0.05 -0.87 1.56 2.56 0.00 0.00 0.00 173.10 176.30 3i3x s PRO 23 N -5.36 4.10 -1.78 2.90 0.04 -1.26 -2.87 135.00 130.77 3i3x s PRO 23 Ca 0.67 2.61 0.00 0.00 0.04 0.00 0.00 61.00 64.32 3i3x s PRO 23 Cb -0.06 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.49 3i3x s PRO 23 CO 0.47 -0.62 0.00 0.66 0.04 0.00 0.00 177.00 177.55 3i3x n TYR 24 N 1.43 0.00 -3.00 0.56 4.01 -1.25 -1.56 117.16 117.35 3i3x n TYR 24 Ca 0.05 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.44 3i3x n TYR 24 Cb 0.38 -3.06 -0.06 0.00 -0.31 0.00 0.00 39.34 36.29 3i3x n TYR 24 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3i3x s SER 25 N -2.70 7.06 -0.13 7.72 0.01 -1.14 -3.97 113.70 120.55 3i3x s SER 25 Ca 0.00 1.53 0.03 0.00 1.31 0.00 0.00 55.95 58.81 3i3x s SER 25 Cb 0.00 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.78 3i3x s SER 25 CO 0.00 -0.09 -0.21 -0.63 0.41 0.00 0.00 173.24 172.72 3i3x s ILE 26 N -1.72 2.00 -0.13 1.44 1.01 0.85 -0.41 121.20 124.24 3i3x s ILE 26 Ca 0.49 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3i3x s ILE 26 Cb -0.15 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.58 3i3x s ILE 26 CO 0.20 0.54 -0.12 -0.63 0.00 0.00 0.00 174.94 174.93 3i3x s ILE 27 N 0.77 1.40 0.82 2.92 1.01 0.80 -0.76 121.20 128.17 3i3x s ILE 27 Ca -0.08 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 3i3x s ILE 27 Cb -0.16 -1.34 0.15 0.00 0.01 0.00 0.00 42.46 41.13 3i3x s ILE 27 CO -0.01 0.43 1.13 -1.61 0.00 0.00 0.00 174.94 174.89 3i3x s GLU 28 N 1.51 1.28 0.89 2.79 2.02 -0.55 -1.02 118.70 125.61 3i3x s GLU 28 Ca 0.04 -0.77 -0.13 0.00 0.02 0.00 0.00 54.97 54.12 3i3x s GLU 28 Cb -0.13 -2.12 0.15 0.00 0.10 0.00 0.00 34.13 32.13 3i3x s GLU 28 CO -0.09 -1.84 1.25 0.20 0.02 0.00 0.00 175.26 174.79 3i3x s GLY 29 N -4.79 1.72 -1.39 -1.39 0.00 -1.26 -4.15 107.32 96.07 3i3x s GLY 29 Ca 0.69 -1.06 -0.09 0.00 0.00 0.00 0.00 44.72 44.26 3i3x s GLY 29 CO 0.48 -0.40 1.11 0.70 0.00 0.00 0.00 173.10 174.99 3i3x n ASN 30 N -3.54 -5.53 -4.03 1.64 4.13 -1.26 -4.05 115.26 102.62 3i3x n ASN 30 Ca 0.13 -0.61 -0.25 0.00 1.68 0.00 0.00 54.58 55.52 3i3x n ASN 30 Cb 0.60 -4.76 -0.17 0.00 -1.54 0.00 0.00 39.78 33.92 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 -3.33 1.20 -0.04 2.41 1.01 -1.26 -0.60 120.40 119.79 3i3x s VAL 31 Ca 0.54 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.08 3i3x s VAL 31 Cb -0.25 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3i3x s VAL 31 CO 0.76 0.37 -0.25 -0.94 0.00 0.00 0.00 175.10 175.04 3i3x s SER 32 N 0.72 2.98 -0.06 3.32 1.04 -0.70 -0.11 113.70 120.89 3i3x s SER 32 Ca -0.13 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.82 3i3x s SER 32 Cb -0.16 -0.58 0.02 0.00 0.10 0.00 0.00 66.02 65.41 3i3x s SER 32 CO 0.03 0.27 -0.03 -0.63 0.98 0.00 0.00 173.24 173.87 3i3x s ILE 33 N -0.36 0.49 0.71 -1.02 1.01 0.10 -0.55 121.20 121.58 3i3x s ILE 33 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 3i3x s ILE 33 Cb -0.12 -0.56 0.12 0.00 0.01 0.00 0.00 42.46 41.91 3i3x s ILE 33 CO 0.01 0.24 0.99 -1.10 0.00 0.00 0.00 174.94 175.08 3i3x s GLN 34 N 1.31 1.75 0.37 2.79 -0.21 -0.44 -2.07 119.66 123.15 3i3x s GLN 34 Ca -0.05 -1.01 -0.27 0.00 0.02 0.00 0.00 55.36 54.05 3i3x s GLN 34 Cb -0.14 -2.32 -0.12 0.00 1.00 0.00 0.00 33.01 31.44 3i3x s GLN 34 CO -0.02 -1.40 1.19 -1.91 -2.12 0.00 0.00 175.29 171.02 3i3x n GLU 35 N -2.83 1.81 -0.89 2.91 2.13 -1.26 -3.30 120.64 119.21 3i3x n GLU 35 Ca 0.14 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.60 3i3x n GLU 35 Cb 0.60 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.10 3i3x n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i3x n GLY 36 N 0.93 0.85 3.72 8.31 0.00 -1.26 -1.04 105.19 116.69 3i3x n GLY 36 Ca 0.07 0.00 -0.41 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 -3.33 4.58 -0.18 2.61 2.01 -1.21 -3.92 115.64 116.20 3i3x s THR 37 Ca 0.00 2.03 0.00 0.00 0.31 0.00 0.00 61.69 64.03 3i3x s THR 37 Cb 0.00 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.22 3i3x s THR 37 CO 0.00 0.26 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.39 3i3x s ILE 38 N 0.35 2.35 -0.18 1.82 1.01 0.40 -2.23 121.20 124.72 3i3x s ILE 38 Ca 0.49 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 3i3x s ILE 38 Cb -0.23 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3i3x s ILE 38 CO 0.29 0.52 -0.03 -0.63 0.00 0.00 0.00 174.94 175.09 3i3x s ILE 39 N 1.28 3.81 0.00 2.92 1.01 0.12 -0.97 121.20 129.37 3i3x s ILE 39 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3i3x s ILE 39 Cb -0.13 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.64 3i3x s ILE 39 CO -0.10 0.46 0.00 -0.62 0.00 0.00 0.00 174.94 174.68 3i3x n GLU 40 N 3.98 3.20 -3.43 2.79 1.02 0.36 -0.43 120.64 128.13 3i3x n GLU 40 Ca -0.17 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.68 3i3x n GLU 40 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.91 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 1.90 -1.55 0.62 0.00 -1.26 -2.02 107.32 105.01 3i3x s GLY 41 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.13 3i3x s GLY 41 CO 0.00 -0.49 0.00 1.42 0.00 0.00 0.00 173.10 174.03 3i3x n HIS 42 N -0.76 0.00 -2.71 1.90 8.25 -0.60 -1.71 115.22 119.58 3i3x n HIS 42 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3i3x n HIS 42 Cb 0.54 -3.02 -0.06 0.00 1.12 0.00 0.00 29.99 28.57 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 -2.26 4.09 -0.14 1.59 1.01 -1.26 -3.66 120.40 119.77 3i3x s VAL 43 Ca 0.00 1.56 0.01 0.00 0.00 0.00 0.00 61.98 63.55 3i3x s VAL 43 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3i3x s VAL 43 CO 0.00 -0.03 -0.14 -0.75 0.00 0.00 0.00 175.10 174.18 3i3x s LYS 44 N -2.51 2.28 -0.30 2.72 2.20 -0.53 -0.10 119.74 123.50 3i3x s LYS 44 Ca 0.56 -0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 55.57 3i3x s LYS 44 Cb -0.17 -2.05 0.03 0.00 -1.51 0.00 0.00 37.83 34.13 3i3x s LYS 44 CO 0.22 -0.19 0.03 0.42 -0.36 0.00 0.00 175.35 175.47 3i3x s ILE 45 N 1.36 3.35 0.48 5.43 -1.09 0.06 -0.22 121.20 130.56 3i3x s ILE 45 Ca 0.02 -1.10 -0.01 0.00 -2.23 0.00 0.00 60.65 57.33 3i3x s ILE 45 Cb -0.13 -2.82 -0.00 0.00 -1.58 0.00 0.00 42.46 37.92 3i3x s ILE 45 CO -0.08 -0.01 0.72 0.00 -1.23 0.00 0.00 174.94 174.33 3i3x n ALA 47 N -2.18 0.75 -0.06 0.00 0.00 -1.26 -2.51 120.51 115.25 3i3x n ALA 47 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3i3x n ALA 47 Cb 0.58 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 1.79 0.47 3.65 0.00 0.00 0.23 -4.80 105.19 106.53 3i3x n GLY 48 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.79 6.99 -0.37 1.61 0.01 -1.04 -1.56 113.70 116.53 3i3x s SER 49 Ca 0.00 1.23 -0.01 0.00 1.31 0.00 0.00 55.95 58.48 3i3x s SER 49 Cb 0.00 -2.49 0.10 0.00 0.21 0.00 0.00 66.02 63.83 3i3x s SER 49 CO 0.00 -0.58 0.13 -1.61 0.41 0.00 0.00 173.24 171.59 3i3x s GLU 50 N 2.93 1.98 -0.14 12.44 2.02 0.58 -1.72 118.70 136.79 3i3x s GLU 50 Ca 0.40 -1.72 -0.03 0.00 0.02 0.00 0.00 54.97 53.64 3i3x s GLU 50 Cb -0.15 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 3i3x s GLU 50 CO 0.07 -0.95 -0.05 0.42 0.02 0.00 0.00 175.26 174.78 3i3x s ILE 51 N 1.11 3.81 0.00 -1.63 1.01 0.29 -0.52 121.20 125.27 3i3x s ILE 51 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.31 3i3x s ILE 51 Cb -0.21 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3i3x s ILE 51 CO -0.04 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3i3x n GLY 52 N 3.35 0.61 3.90 6.18 0.00 0.08 -1.33 105.19 117.99 3i3x n GLY 52 Ca -0.18 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 0.00 3.52 -1.50 1.61 1.02 -1.25 -2.73 119.74 120.41 3i3x s LYS 53 Ca 0.00 -0.22 -0.06 0.00 0.02 0.00 0.00 55.97 55.71 3i3x s LYS 53 Cb 0.00 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.30 3i3x s LYS 53 CO 0.00 0.61 0.63 1.19 -0.92 0.00 0.00 175.35 176.86 3i3x n PHE 54 N 0.67 -2.01 -3.15 3.18 3.01 -0.21 -0.65 117.46 118.30 3i3x n PHE 54 Ca -0.08 0.55 -0.29 0.00 1.01 0.00 0.00 57.45 58.64 3i3x n PHE 54 Cb 0.52 -4.26 -0.03 0.00 -0.01 0.00 0.00 39.48 35.70 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 -2.76 6.48 -0.06 4.37 0.01 -1.26 -3.35 114.94 118.37 3i3x s ASN 55 Ca 0.35 0.88 0.03 0.00 -0.71 0.00 0.00 52.86 53.41 3i3x s ASN 55 Cb -0.16 -2.21 0.01 0.00 0.41 0.00 0.00 41.25 39.29 3i3x s ASN 55 CO 0.43 -0.27 -0.15 -0.60 -1.51 0.00 0.00 177.10 174.99 3i3x s ARG 56 N -3.65 1.88 -0.26 -0.60 3.52 -0.53 -0.45 118.95 118.86 3i3x s ARG 56 Ca 0.47 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 3i3x s ARG 56 Cb -0.11 -1.55 0.06 0.00 -1.56 0.00 0.00 34.95 31.79 3i3x s ARG 56 CO 0.30 0.12 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.75 3i3x s PHE 57 N 0.39 3.25 0.73 5.12 0.40 -0.14 -0.08 117.98 127.66 3i3x s PHE 57 Ca -0.11 -2.24 -0.11 0.00 -0.60 0.00 0.00 56.93 53.86 3i3x s PHE 57 Cb -0.14 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.46 3i3x s PHE 57 CO 0.04 -0.87 1.09 -1.01 0.70 0.00 0.00 175.22 175.17 3i3x s HIS 58 N 1.13 3.14 -0.43 0.36 3.76 0.93 -0.48 115.29 123.69 3i3x s HIS 58 Ca -0.08 1.13 -0.45 0.00 -0.15 0.00 0.00 55.06 55.51 3i3x s HIS 58 Cb -0.20 -3.05 -0.20 0.00 1.11 0.00 0.00 32.58 30.25 3i3x s HIS 58 CO -0.05 -1.38 1.50 0.94 -0.85 0.00 0.00 174.74 174.91 3i3x n GLN 59 N -3.16 0.00 -0.99 1.40 -0.06 -1.26 -1.66 117.38 111.65 3i3x n GLN 59 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 3i3x n GLN 59 Cb 0.56 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 25.27 3i3x n GLN 59 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i3x n GLY 60 N 3.62 0.84 3.77 1.69 0.00 -0.70 -2.26 105.19 112.15 3i3x n GLY 60 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 3i3x n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3x s ALA 61 N -3.40 3.65 -0.12 4.61 0.00 -0.66 -3.70 121.76 122.14 3i3x s ALA 61 Ca 0.00 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.58 3i3x s ALA 61 Cb 0.00 -3.63 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 3i3x s ALA 61 CO 0.00 -1.05 -0.21 0.14 0.00 0.00 0.00 175.76 174.64 3i3x s VAL 62 N -0.68 2.25 -0.10 0.00 -7.23 -0.54 -1.46 120.40 112.65 3i3x s VAL 62 Ca 0.57 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.81 3i3x s VAL 62 Cb -0.47 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 34.60 3i3x s VAL 62 CO 0.58 0.55 -0.12 -0.63 -0.31 0.00 0.00 175.10 175.16 3i3x s ILE 63 N 0.46 1.27 -0.69 -0.62 -1.09 0.69 -1.44 121.20 119.78 3i3x s ILE 63 Ca -0.15 -0.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 3i3x s ILE 63 Cb -0.17 -1.19 0.00 0.00 -1.58 0.00 0.00 42.46 39.52 3i3x s ILE 63 CO 0.06 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 3i3x n GLY 64 N 4.28 0.20 3.77 6.18 0.00 0.39 -0.37 105.19 119.64 3i3x n GLY 64 Ca -0.19 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.37 2.89 0.29 1.61 -7.23 -1.13 -4.30 120.40 110.17 3i3x s VAL 65 Ca 0.00 0.29 -0.30 0.00 -1.81 0.00 0.00 61.98 60.16 3i3x s VAL 65 Cb 0.00 -2.93 -0.12 0.00 0.56 0.00 0.00 36.38 33.88 3i3x s VAL 65 CO 0.00 -0.38 1.46 0.23 -0.31 0.00 0.00 175.10 176.10 3i3x n MET 66 N -3.61 2.36 -1.60 4.82 2.81 -1.26 -2.18 117.12 118.45 3i3x n MET 66 Ca 0.07 0.84 -0.49 0.00 -1.81 0.00 0.00 57.70 56.31 3i3x n MET 66 Cb 0.56 -2.53 -0.04 0.00 -0.71 0.00 0.00 33.22 30.50 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 1.59 1.36 -1.88 0.03 -0.02 -1.26 -4.84 135.00 129.98 3i3x n PRO 67 Ca 0.08 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 3i3x n PRO 67 Cb 0.35 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 2.09 2.92 -3.57 -0.52 6.02 -1.26 -4.80 117.38 118.26 3i3x n GLN 68 Ca 0.15 -2.73 -0.17 0.00 -0.01 0.00 0.00 57.00 54.24 3i3x n GLN 68 Cb 0.25 -3.31 -0.14 0.00 1.02 0.00 0.00 30.24 28.05 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 3.31 1.06 0.53 1.08 3.68 -1.26 -5.00 116.67 120.06 3i3x s ASP 69 Ca 0.48 0.06 0.35 0.00 2.13 0.00 0.00 52.55 55.56 3i3x s ASP 69 Cb 0.12 0.40 1.67 0.00 -1.45 0.00 0.00 42.92 43.66 3i3x s ASP 69 CO -0.06 -0.29 2.05 -0.07 0.13 0.00 0.00 175.17 176.93 3i3x h LEU 70 N 8.32 0.00 -0.36 -1.34 4.07 -2.04 -2.89 115.31 121.08 3i3x h LEU 70 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.81 3i3x h LEU 70 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 3i3x h LEU 70 CO 0.22 0.00 -0.27 0.61 -1.08 0.00 0.00 178.44 177.92 3i3x n GLY 71 N -0.49 -0.79 3.70 0.83 0.00 -1.26 -4.94 105.19 102.24 3i3x n GLY 71 Ca -0.01 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.59 3.62 -0.39 1.61 5.36 -1.09 -5.01 117.98 119.48 3i3x s PHE 72 Ca 0.23 1.66 -0.29 0.00 -0.96 0.00 0.00 56.93 57.57 3i3x s PHE 72 Cb 0.19 -3.14 0.02 0.00 -0.34 0.00 0.00 43.02 39.75 3i3x s PHE 72 CO 0.54 -0.07 1.20 1.21 -1.46 0.00 0.00 175.22 176.64 3i3x s ASN 73 N 1.03 6.67 0.00 6.13 2.47 -1.26 -4.92 114.94 125.06 3i3x s ASN 73 Ca 0.51 0.83 0.24 0.00 0.42 0.00 0.00 52.86 54.86 3i3x s ASN 73 Cb -0.20 -2.54 1.41 0.00 -1.45 0.00 0.00 41.25 38.46 3i3x s ASN 73 CO 0.25 -1.15 1.82 0.00 -3.72 0.00 0.00 177.10 174.30 3i3x n GLN 74 N 7.52 0.83 -0.02 0.43 6.02 -1.26 -2.41 117.38 128.49 3i3x n GLN 74 Ca 0.13 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.25 3i3x n GLN 74 Cb 0.48 -1.44 0.43 0.00 1.02 0.00 0.00 30.24 30.72 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 -0.94 1.80 -3.07 -1.09 1.13 -1.26 -4.92 117.38 109.02 3i3x n GLN 75 Ca 0.18 -1.17 -0.39 0.00 -1.94 0.00 0.00 57.00 53.68 3i3x n GLN 75 Cb 0.08 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 28.91 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 -1.90 4.49 -0.83 1.08 1.43 -1.01 -5.02 118.68 116.92 3i3x s LEU 76 Ca 0.36 1.40 -0.23 0.00 -1.03 0.00 0.00 54.13 54.63 3i3x s LEU 76 Cb 0.20 -3.13 0.07 0.00 0.03 0.00 0.00 46.19 43.37 3i3x s LEU 76 CO 0.32 0.12 1.19 -0.22 0.23 0.00 0.00 176.35 177.98 3i3x s LEU 77 N -0.48 4.08 0.36 1.79 2.96 -1.26 -5.01 118.68 121.12 3i3x s LEU 77 Ca 0.35 -1.24 0.08 0.00 -0.22 0.00 0.00 54.13 53.09 3i3x s LEU 77 Cb -0.20 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 3i3x s LEU 77 CO 0.22 -1.45 0.23 0.42 -1.32 0.00 0.00 176.35 174.44 3i3x s THR 78 N 4.30 3.00 0.15 3.68 -4.23 -1.26 -4.67 115.64 116.60 3i3x s THR 78 Ca 0.33 -1.55 0.08 0.00 -1.18 0.00 0.00 61.69 59.37 3i3x s THR 78 Cb -0.08 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 3i3x s THR 78 CO 0.02 -0.13 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.33 3i3x s LYS 79 N -3.94 2.06 -0.23 3.99 1.02 -1.26 -4.33 119.74 117.05 3i3x s LYS 79 Ca 0.41 -1.17 0.02 0.00 0.02 0.00 0.00 55.97 55.25 3i3x s LYS 79 Cb -0.03 -2.21 0.05 0.00 -0.52 0.00 0.00 37.83 35.12 3i3x s LYS 79 CO 0.25 0.47 -0.13 0.99 -0.92 0.00 0.00 175.35 176.00 3i3x s THR 80 N -1.47 2.07 -0.28 2.17 2.01 -0.60 -1.92 115.64 117.62 3i3x s THR 80 Ca 0.23 -1.38 -0.09 0.00 0.31 0.00 0.00 61.69 60.76 3i3x s THR 80 Cb -0.10 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 3i3x s THR 80 CO 0.14 0.14 0.11 -0.69 -0.69 0.00 0.00 174.62 173.64 3i3x s VAL 81 N 1.19 4.52 -0.10 3.82 1.01 0.54 -0.30 120.40 131.07 3i3x s VAL 81 Ca -0.04 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3i3x s VAL 81 Cb -0.18 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.02 3i3x s VAL 81 CO -0.07 0.23 -0.18 -0.63 0.00 0.00 0.00 175.10 174.44 3i3x s ILE 82 N 1.63 1.66 0.00 2.22 1.01 0.32 0.04 121.20 128.08 3i3x s ILE 82 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3i3x s ILE 82 Cb -0.16 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.84 3i3x s ILE 82 CO 0.05 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3i3x n GLY 83 N 3.83 0.31 3.51 6.18 0.00 0.08 -0.74 105.19 118.36 3i3x n GLY 83 Ca -0.20 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.13 3.90 -1.67 1.61 1.01 -1.24 -2.34 116.67 116.81 3i3x s ASP 84 Ca 0.00 -0.70 0.00 0.00 0.71 0.00 0.00 52.55 52.56 3i3x s ASP 84 Cb 0.00 -0.52 0.00 0.00 1.01 0.00 0.00 42.92 43.41 3i3x s ASP 84 CO 0.00 0.11 0.00 1.41 0.21 0.00 0.00 175.17 176.90 3i3x n HIS 85 N 0.16 -0.51 -3.27 4.23 8.25 0.17 -1.00 115.22 123.26 3i3x n HIS 85 Ca -0.12 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.03 3i3x n HIS 85 Cb 0.56 -3.35 -0.05 0.00 1.12 0.00 0.00 29.99 28.26 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 -2.44 6.66 -0.11 0.41 0.01 -1.26 -3.40 114.94 114.81 3i3x s ASN 86 Ca 0.00 1.05 0.03 0.00 -0.71 0.00 0.00 52.86 53.23 3i3x s ASN 86 Cb 0.00 -2.28 0.01 0.00 0.41 0.00 0.00 41.25 39.39 3i3x s ASN 86 CO 0.00 -0.15 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.60 3i3x s ILE 87 N -1.94 1.85 -0.28 0.60 1.01 -0.62 -1.45 121.20 120.37 3i3x s ILE 87 Ca 0.50 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3i3x s ILE 87 Cb -0.11 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.78 3i3x s ILE 87 CO 0.21 0.51 -0.04 -0.36 0.00 0.00 0.00 174.94 175.27 3i3x s PHE 88 N 0.64 3.23 0.99 3.97 0.40 0.88 -0.90 117.98 127.19 3i3x s PHE 88 Ca -0.13 -1.93 -0.16 0.00 -0.60 0.00 0.00 56.93 54.12 3i3x s PHE 88 Cb -0.16 -2.06 0.21 0.00 0.51 0.00 0.00 43.02 41.52 3i3x s PHE 88 CO 0.03 -0.81 1.28 1.03 0.70 0.00 0.00 175.22 177.46 3i3x s ARG 89 N 1.23 0.45 0.01 0.44 1.81 0.75 -0.05 118.95 123.60 3i3x s ARG 89 Ca -0.05 -0.33 -0.35 0.00 -1.72 0.00 0.00 55.73 53.28 3i3x s ARG 89 Cb -0.19 -1.82 -0.13 0.00 -0.45 0.00 0.00 34.95 32.36 3i3x s ARG 89 CO -0.03 -2.55 1.71 0.39 -0.68 0.00 0.00 175.30 174.14 3i3x n GLU 90 N -3.88 2.04 -1.48 3.54 4.71 -1.26 -1.54 120.64 122.76 3i3x n GLU 90 Ca 0.14 0.74 -0.16 0.00 -0.01 0.00 0.00 57.16 57.87 3i3x n GLU 90 Cb 0.59 -2.53 -0.07 0.00 -1.01 0.00 0.00 31.44 28.42 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 4.96 0.00 -1.71 -0.32 4.02 -0.96 -1.65 117.16 121.50 3i3x n TYR 91 Ca 0.20 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.74 3i3x n TYR 91 Cb 0.27 -3.06 0.06 0.00 -0.02 0.00 0.00 39.34 36.60 3i3x n TYR 91 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3x s SER 92 N -2.67 4.70 -0.29 7.72 1.04 -0.59 -3.75 113.70 119.86 3i3x s SER 92 Ca 0.00 2.36 -0.03 0.00 0.48 0.00 0.00 55.95 58.75 3i3x s SER 92 Cb 0.00 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.64 3i3x s SER 92 CO 0.00 -1.92 0.16 0.21 0.98 0.00 0.00 173.24 172.67 3i3x s ASN 93 N -1.87 3.23 -0.20 7.02 3.84 0.24 -1.46 114.94 125.74 3i3x s ASN 93 Ca 0.75 -1.26 -0.04 0.00 0.21 0.00 0.00 52.86 52.53 3i3x s ASN 93 Cb -0.29 -0.22 -0.01 0.00 -0.55 0.00 0.00 41.25 40.17 3i3x s ASN 93 CO 0.40 -0.42 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.61 3i3x s ILE 94 N 2.08 3.52 -0.07 -5.21 -1.09 -0.52 -1.44 121.20 118.47 3i3x s ILE 94 Ca 0.10 -0.45 -0.03 0.00 -2.23 0.00 0.00 60.65 58.03 3i3x s ILE 94 Cb -0.16 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 3i3x s ILE 94 CO -0.34 0.44 0.10 -1.00 -1.23 0.00 0.00 174.94 172.90 3i3x s HIS 95 N 1.17 3.40 0.93 3.97 3.76 0.05 -0.46 115.29 128.11 3i3x s HIS 95 Ca 0.02 0.34 -0.13 0.00 -0.15 0.00 0.00 55.06 55.14 3i3x s HIS 95 Cb -0.14 -1.83 0.15 0.00 1.11 0.00 0.00 32.58 31.86 3i3x s HIS 95 CO -0.00 0.61 1.15 -1.59 -0.85 0.00 0.00 174.74 174.06 3i3x s LYS 96 N -1.30 0.97 1.01 1.40 -2.85 -0.93 -4.24 119.74 113.79 3i3x s LYS 96 Ca 0.18 0.19 -0.12 0.00 -1.00 0.00 0.00 55.97 55.22 3i3x s LYS 96 Cb -0.12 -1.83 0.19 0.00 -2.06 0.00 0.00 37.83 34.02 3i3x s LYS 96 CO 0.08 -2.30 1.09 0.20 0.10 0.00 0.00 175.35 174.53 3i3x s GLY 97 N -4.12 1.57 0.00 0.59 0.00 -0.91 -4.06 107.32 100.38 3i3x s GLY 97 Ca 0.65 -0.35 0.21 0.00 0.00 0.00 0.00 44.72 45.23 3i3x s GLY 97 CO 0.53 0.27 1.04 -1.30 0.00 0.00 0.00 173.10 173.64 3i3x n THR 98 N -4.21 0.00 -4.07 0.90 -2.24 -1.21 -4.67 114.28 98.78 3i3x n THR 98 Ca 0.05 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 3i3x n THR 98 Cb 0.57 1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 69.98 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 -2.20 0.56 0.54 -0.78 1.02 -1.24 -4.89 119.74 112.74 3i3x s LYS 99 Ca 0.18 -1.04 0.25 0.00 0.02 0.00 0.00 55.97 55.39 3i3x s LYS 99 Cb 0.17 0.08 1.51 0.00 -0.52 0.00 0.00 37.83 39.06 3i3x s LYS 99 CO 0.47 -0.07 2.14 0.93 -0.92 0.00 0.00 175.35 177.90 3i3x h GLU 100 N 3.63 0.00 -0.60 1.68 5.08 -1.93 -1.45 114.58 121.00 3i3x h GLU 100 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3i3x h GLU 100 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3i3x h GLU 100 CO 0.57 0.07 0.00 -0.40 -1.00 0.00 0.00 179.01 178.25 3i3x n ASP 101 N -3.93 3.71 -3.72 1.42 5.75 -1.26 -4.79 116.55 113.73 3i3x n ASP 101 Ca -0.03 -2.06 -0.28 0.00 -0.01 0.00 0.00 54.79 52.41 3i3x n ASP 101 Cb 0.16 -0.42 -0.12 0.00 -1.03 0.00 0.00 41.12 39.71 3i3x n ASP 101 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3i3x s SER 102 N -1.01 3.59 0.61 -1.12 0.15 -0.54 -5.12 113.70 110.26 3i3x s SER 102 Ca 0.41 -3.26 -0.11 0.00 0.70 0.00 0.00 55.95 53.69 3i3x s SER 102 Cb 0.22 -1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 63.33 3i3x s SER 102 CO 0.27 -0.17 1.02 -2.16 1.20 0.00 0.00 173.24 173.40 3i3x s PRO 103 N -0.50 3.62 0.03 5.44 0.04 -1.26 -3.30 135.00 139.07 3i3x s PRO 103 Ca 0.24 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 3i3x s PRO 103 Cb -0.09 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3i3x s PRO 103 CO -0.12 -0.53 1.06 0.99 0.04 0.00 0.00 177.00 178.44 3i3x s THR 104 N -3.12 4.53 -0.09 1.26 2.01 -0.81 -4.51 115.64 114.91 3i3x s THR 104 Ca 0.55 1.83 0.03 0.00 0.31 0.00 0.00 61.69 64.41 3i3x s THR 104 Cb -0.11 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.24 3i3x s THR 104 CO 0.52 0.15 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.73 3i3x s VAL 105 N 0.99 1.57 -0.07 3.82 1.01 -0.45 -0.34 120.40 126.93 3i3x s VAL 105 Ca 0.54 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.83 3i3x s VAL 105 Cb -0.24 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.75 3i3x s VAL 105 CO 0.29 0.45 -0.15 -0.63 0.00 0.00 0.00 175.10 175.06 3i3x s ILE 106 N 0.60 1.34 0.00 2.22 1.01 0.11 -0.62 121.20 125.85 3i3x s ILE 106 Ca -0.15 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3i3x s ILE 106 Cb -0.16 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.11 3i3x s ILE 106 CO 0.05 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.99 3i3x n GLY 107 N 3.65 0.85 3.41 6.18 0.00 -0.51 -0.74 105.19 118.03 3i3x n GLY 107 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 3.38 -1.91 1.61 0.01 -1.20 -2.11 114.94 113.72 3i3x s ASN 108 Ca 0.00 -0.82 0.00 0.00 -0.71 0.00 0.00 52.86 51.33 3i3x s ASN 108 Cb 0.00 -0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.42 3i3x s ASN 108 CO 0.00 0.14 0.00 0.29 -1.51 0.00 0.00 177.10 176.02 3i3x n LYS 109 N 0.53 -1.50 -2.19 -0.60 5.02 -0.17 -0.40 118.16 118.85 3i3x n LYS 109 Ca -0.15 1.08 -0.30 0.00 -2.02 0.00 0.00 58.31 56.93 3i3x n LYS 109 Cb 0.55 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 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 -2.42 6.29 -0.09 4.39 0.01 -1.26 -3.54 114.94 118.32 3i3x s ASN 110 Ca 0.00 1.27 -0.01 0.00 -0.71 0.00 0.00 52.86 53.42 3i3x s ASN 110 Cb 0.00 -2.40 0.03 0.00 0.41 0.00 0.00 41.25 39.28 3i3x s ASN 110 CO 0.00 -0.74 -0.04 -0.47 -1.51 0.00 0.00 177.10 174.34 3i3x s TYR 111 N -2.96 1.11 -0.36 2.20 6.14 0.32 -1.58 117.35 122.22 3i3x s TYR 111 Ca 0.53 -0.47 -0.03 0.00 0.64 0.00 0.00 57.07 57.74 3i3x s TYR 111 Cb -0.11 -1.02 0.08 0.00 0.42 0.00 0.00 41.96 41.33 3i3x s TYR 111 CO 0.48 -0.41 0.11 -0.06 0.64 0.00 0.00 175.55 176.31 3i3x s PHE 112 N 1.73 3.44 1.05 4.97 0.40 -0.07 -0.30 117.98 129.18 3i3x s PHE 112 Ca 0.03 -2.12 -0.15 0.00 -0.60 0.00 0.00 56.93 54.09 3i3x s PHE 112 Cb -0.13 -2.69 0.21 0.00 0.51 0.00 0.00 43.02 40.93 3i3x s PHE 112 CO -0.06 -0.88 1.12 -1.64 0.70 0.00 0.00 175.22 174.46 3i3x s MET 113 N 1.20 -0.00 0.23 0.44 -1.94 0.48 -0.18 119.30 119.53 3i3x s MET 113 Ca 0.02 0.21 -0.31 0.00 -1.71 0.00 0.00 55.69 53.90 3i3x s MET 113 Cb -0.21 -1.71 -0.14 0.00 2.01 0.00 0.00 34.83 34.78 3i3x s MET 113 CO -0.02 -2.96 1.32 0.41 -0.01 0.00 0.00 175.02 173.76 3i3x n GLY 114 N -1.42 0.54 2.73 -0.03 0.00 -1.26 -1.83 105.19 103.92 3i3x n GLY 114 Ca 0.08 0.49 -0.01 0.00 0.00 0.00 0.00 46.02 46.58 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 1.99 -5.21 -4.81 1.61 4.13 -0.66 -1.56 115.26 110.76 3i3x n ASN 115 Ca 0.12 0.01 -0.33 0.00 1.68 0.00 0.00 54.58 56.06 3i3x n ASN 115 Cb 0.30 -2.75 -0.03 0.00 -1.54 0.00 0.00 39.78 35.76 3i3x n ASN 115 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3i3x s SER 116 N -2.03 6.37 -0.06 6.41 1.04 -0.76 -4.00 113.70 120.67 3i3x s SER 116 Ca 0.00 1.81 0.02 0.00 0.48 0.00 0.00 55.95 58.25 3i3x s SER 116 Cb 0.00 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.59 3i3x s SER 116 CO 0.00 -0.76 -0.09 -2.28 0.98 0.00 0.00 173.24 171.09 3i3x s HIS 117 N -2.22 1.17 -0.28 5.02 2.46 -0.47 -0.59 115.29 120.38 3i3x s HIS 117 Ca 0.64 -0.40 0.01 0.00 0.47 0.00 0.00 55.06 55.78 3i3x s HIS 117 Cb -0.14 -0.90 0.06 0.00 -0.13 0.00 0.00 32.58 31.47 3i3x s HIS 117 CO 0.24 -0.24 -0.05 0.08 -2.47 0.00 0.00 174.74 172.30 3i3x s VAL 118 N 0.75 2.52 0.84 0.89 1.01 -0.52 -0.86 120.40 125.03 3i3x s VAL 118 Ca -0.13 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.15 3i3x s VAL 118 Cb -0.15 -2.50 0.10 0.00 0.00 0.00 0.00 36.38 33.83 3i3x s VAL 118 CO 0.02 -0.10 1.09 -0.83 0.00 0.00 0.00 175.10 175.28 3i3x s GLY 119 N 1.17 1.62 0.16 4.51 0.00 -0.31 -0.77 107.32 113.70 3i3x s GLY 119 Ca -0.06 -0.10 -0.32 0.00 0.00 0.00 0.00 44.72 44.24 3i3x s GLY 119 CO -0.04 0.35 0.98 -2.39 0.00 0.00 0.00 173.10 172.01 3i3x n HIS 120 N -3.66 0.75 -1.01 1.90 1.44 -1.26 -2.56 115.22 110.82 3i3x n HIS 120 Ca 0.07 0.82 -0.00 0.00 -2.01 0.00 0.00 57.72 56.60 3i3x n HIS 120 Cb 0.55 -2.17 -0.00 0.00 0.12 0.00 0.00 29.99 28.50 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 1.84 -4.45 -4.75 4.39 8.00 -1.26 -0.74 116.55 119.59 3i3x n ASP 121 Ca 0.16 0.01 -0.38 0.00 0.71 0.00 0.00 54.79 55.29 3i3x n ASP 121 Cb 0.22 -1.98 0.04 0.00 -0.02 0.00 0.00 41.12 39.39 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 -1.39 1.31 -0.05 0.00 -1.09 -0.52 -1.34 121.20 118.12 3i3x s ILE 123 Ca 0.74 -0.52 0.06 0.00 -2.23 0.00 0.00 60.65 58.70 3i3x s ILE 123 Cb -0.37 -1.30 -0.01 0.00 -1.58 0.00 0.00 42.46 39.19 3i3x s ILE 123 CO 0.42 0.37 -0.25 -0.76 -1.23 0.00 0.00 174.94 173.49 3i3x s LEU 124 N 1.58 2.06 0.00 2.97 1.02 0.21 -0.79 118.68 125.73 3i3x s LEU 124 Ca 0.04 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.69 3i3x s LEU 124 Cb -0.13 -1.36 0.00 0.00 0.02 0.00 0.00 46.19 44.72 3i3x s LEU 124 CO -0.09 0.26 0.00 0.61 0.02 0.00 0.00 176.35 177.15 3i3x n GLY 125 N 2.84 0.81 3.41 -3.19 0.00 -0.83 -1.42 105.19 106.81 3i3x n GLY 125 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.00 3.46 -1.46 1.61 0.01 -1.23 -1.87 114.94 114.46 3i3x s ASN 126 Ca 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 3i3x s ASN 126 Cb 0.00 -0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.34 3i3x s ASN 126 CO 0.00 0.19 0.00 0.59 -1.51 0.00 0.00 177.10 176.37 3i3x n ASN 127 N 0.98 -4.66 -4.86 -1.22 3.02 0.46 -0.89 115.26 108.10 3i3x n ASN 127 Ca -0.17 0.24 -0.32 0.00 -0.03 0.00 0.00 54.58 54.30 3i3x n ASN 127 Cb 0.53 -3.56 -0.05 0.00 -0.61 0.00 0.00 39.78 36.08 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 -2.69 6.69 -0.17 6.41 0.01 -1.26 -3.51 114.94 120.42 3i3x s ASN 128 Ca 0.00 1.21 0.00 0.00 -0.71 0.00 0.00 52.86 53.36 3i3x s ASN 128 Cb 0.00 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.32 3i3x s ASN 128 CO 0.00 -0.25 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.55 3i3x s ILE 129 N -2.09 2.59 -0.41 0.60 1.01 -0.08 -0.52 121.20 122.30 3i3x s ILE 129 Ca 0.53 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 3i3x s ILE 129 Cb -0.10 -2.10 0.09 0.00 0.01 0.00 0.00 42.46 40.35 3i3x s ILE 129 CO 0.22 0.51 0.22 -0.22 0.00 0.00 0.00 174.94 175.67 3i3x s LEU 130 N 1.00 5.08 0.91 2.97 2.96 0.58 -0.83 118.68 131.35 3i3x s LEU 130 Ca -0.02 -1.66 -0.12 0.00 -0.22 0.00 0.00 54.13 52.11 3i3x s LEU 130 Cb -0.15 -1.91 0.14 0.00 0.50 0.00 0.00 46.19 44.77 3i3x s LEU 130 CO -0.03 -0.52 1.11 -0.89 -1.32 0.00 0.00 176.35 174.69 3i3x s THR 131 N 1.32 2.35 -0.15 3.68 2.01 0.09 -0.39 115.64 124.55 3i3x s THR 131 Ca 0.04 0.11 -0.39 0.00 0.31 0.00 0.00 61.69 61.76 3i3x s THR 131 Cb -0.23 -2.73 -0.16 0.00 0.01 0.00 0.00 72.50 69.39 3i3x s THR 131 CO -0.00 -0.15 1.57 1.57 -0.69 0.00 0.00 174.62 176.92 3i3x n HIS 132 N -3.85 1.79 -0.87 4.92 -0.00 -1.26 -2.01 115.22 113.94 3i3x n HIS 132 Ca 0.06 0.62 0.00 0.00 0.46 0.00 0.00 57.72 58.86 3i3x n HIS 132 Cb 0.57 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 28.05 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 3.49 0.64 3.78 1.57 0.00 -0.60 -1.71 105.19 112.36 3i3x n GLY 133 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.88 2.97 -0.10 4.61 0.00 -0.85 -4.23 121.76 121.28 3i3x s ALA 134 Ca 0.00 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.79 3i3x s ALA 134 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3i3x s ALA 134 CO 0.00 -0.48 -0.15 0.14 0.00 0.00 0.00 175.76 175.27 3i3x s VAL 135 N -1.66 1.43 -0.25 0.00 -7.23 0.11 -1.37 120.40 111.44 3i3x s VAL 135 Ca 0.63 -0.62 -0.10 0.00 -1.81 0.00 0.00 61.98 60.08 3i3x s VAL 135 Cb -0.24 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 3i3x s VAL 135 CO 0.30 0.43 0.15 -0.76 -0.31 0.00 0.00 175.10 174.90 3i3x s LEU 136 N 0.85 3.98 1.15 1.32 1.43 -0.04 -1.22 118.68 126.15 3i3x s LEU 136 Ca -0.10 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 52.89 3i3x s LEU 136 Cb -0.15 -2.08 0.27 0.00 0.03 0.00 0.00 46.19 44.26 3i3x s LEU 136 CO 0.01 0.03 1.04 0.00 0.23 0.00 0.00 176.35 177.66 3i3x s ALA 137 N 1.29 -0.07 0.79 4.21 0.00 -0.48 -1.16 121.76 126.34 3i3x s ALA 137 Ca 0.07 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 3i3x s ALA 137 Cb -0.14 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3i3x s ALA 137 CO 0.06 -3.64 0.76 0.41 0.00 0.00 0.00 175.76 173.35 3i3x n GLY 138 N 0.15 -1.04 2.93 0.00 0.00 -1.26 -3.39 105.19 102.57 3i3x n GLY 138 Ca 0.05 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 3i3x n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i3x n HIS 139 N -2.88 -1.76 -3.66 1.61 8.25 0.08 -3.84 115.22 113.02 3i3x n HIS 139 Ca 0.11 0.40 -0.36 0.00 -0.26 0.00 0.00 57.72 57.61 3i3x n HIS 139 Cb 0.51 -4.15 -0.06 0.00 1.12 0.00 0.00 29.99 27.41 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 -3.10 5.20 -0.10 1.59 1.01 -1.22 -1.00 120.40 122.78 3i3x s VAL 140 Ca 0.25 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.71 3i3x s VAL 140 Cb -0.11 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.68 3i3x s VAL 140 CO 0.31 0.47 -0.16 -0.89 0.00 0.00 0.00 175.10 174.83 3i3x s THR 141 N -1.20 1.53 0.02 3.92 2.01 -0.76 -1.45 115.64 119.72 3i3x s THR 141 Ca 0.25 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.62 3i3x s THR 141 Cb -0.14 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 3i3x s THR 141 CO 0.13 0.45 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.65 3i3x s LEU 142 N 0.89 3.00 0.00 4.42 1.02 0.03 0.12 118.68 128.16 3i3x s LEU 142 Ca -0.09 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.82 3i3x s LEU 142 Cb -0.15 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.32 3i3x s LEU 142 CO -0.00 0.27 0.00 0.61 0.02 0.00 0.00 176.35 177.25 3i3x n GLY 143 N 1.50 0.79 3.38 -3.19 0.00 -0.36 -2.55 105.19 104.75 3i3x n GLY 143 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 3.36 -1.79 1.61 0.01 -1.26 -1.96 114.94 113.90 3i3x s ASN 144 Ca 0.00 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 3i3x s ASN 144 Cb 0.00 -0.38 0.00 0.00 0.41 0.00 0.00 41.25 41.28 3i3x s ASN 144 CO 0.00 0.26 0.00 0.49 -1.51 0.00 0.00 177.10 176.34 3i3x n PHE 145 N 1.70 -0.88 -2.78 2.20 3.72 -0.06 -1.24 117.46 120.11 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 -3.79 -0.06 0.00 -0.94 0.00 0.00 39.48 35.21 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 -2.96 3.35 -0.26 4.37 0.00 -1.26 -3.27 121.76 121.74 3i3x s ALA 146 Ca 0.00 0.58 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 3i3x s ALA 146 Cb 0.00 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3i3x s ALA 146 CO 0.00 0.20 -0.02 0.12 0.00 0.00 0.00 175.76 176.06 3i3x s PHE 147 N -1.06 3.07 -0.26 0.00 5.36 0.51 -0.90 117.98 124.70 3i3x s PHE 147 Ca 0.41 -1.25 -0.05 0.00 -0.96 0.00 0.00 56.93 55.08 3i3x s PHE 147 Cb -0.25 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.31 3i3x s PHE 147 CO 0.31 -0.64 0.01 0.42 -1.46 0.00 0.00 175.22 173.85 3i3x s ILE 148 N 1.41 3.53 0.19 3.12 -1.09 -0.01 -0.85 121.20 127.49 3i3x s ILE 148 Ca 0.02 -0.68 -0.03 0.00 -2.23 0.00 0.00 60.65 57.74 3i3x s ILE 148 Cb -0.16 -2.74 0.04 0.00 -1.58 0.00 0.00 42.46 38.02 3i3x s ILE 148 CO -0.02 0.24 0.25 -0.24 -1.23 0.00 0.00 174.94 173.94 3i3x n SER 149 N 4.80 0.04 -4.77 3.58 2.88 0.49 -0.73 113.62 119.91 3i3x n SER 149 Ca -0.16 -1.11 -0.39 0.00 -1.33 0.00 0.00 58.87 55.88 3i3x n SER 149 Cb 0.49 -0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 63.72 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 -3.50 2.95 -1.49 0.46 0.00 -1.26 -3.48 107.32 100.99 3i3x s GLY 150 Ca 0.15 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.81 3i3x s GLY 150 CO 0.10 1.51 0.00 1.04 0.00 0.00 0.00 173.10 175.75 3i3x n LEU 151 N 0.61 -1.48 -4.78 0.66 4.77 -0.70 -0.53 117.00 115.57 3i3x n LEU 151 Ca 0.02 0.16 -0.37 0.00 -0.03 0.00 0.00 56.01 55.78 3i3x n LEU 151 Cb 0.45 -2.51 -0.05 0.00 -2.33 0.00 0.00 43.42 38.99 3i3x n LEU 151 CO 0.52 -0.32 0.72 -0.69 -1.33 0.00 0.00 177.39 176.30 3i3x s VAL 152 N -2.74 3.79 -0.11 4.08 1.01 -1.23 -3.55 120.40 121.66 3i3x s VAL 152 Ca 0.00 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.51 3i3x s VAL 152 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3i3x s VAL 152 CO 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 175.10 175.01 3i3x s ALA 153 N -1.53 2.08 -0.16 5.51 0.00 -0.93 0.05 121.76 126.78 3i3x s ALA 153 Ca 0.53 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3i3x s ALA 153 Cb -0.23 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 3i3x s ALA 153 CO 0.30 0.16 -0.11 0.08 0.00 0.00 0.00 175.76 176.18 3i3x s VAL 154 N 0.55 3.04 0.45 0.00 1.01 -0.36 -0.87 120.40 124.22 3i3x s VAL 154 Ca -0.14 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 3i3x s VAL 154 Cb -0.17 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.83 3i3x s VAL 154 CO 0.05 0.50 1.21 -2.28 0.00 0.00 0.00 175.10 174.58 3i3x s HIS 155 N 0.75 2.85 0.17 5.22 2.46 0.27 -1.38 115.29 125.63 3i3x s HIS 155 Ca -0.05 1.50 -0.32 0.00 0.47 0.00 0.00 55.06 56.67 3i3x s HIS 155 Cb -0.15 -3.48 -0.16 0.00 -0.13 0.00 0.00 32.58 28.66 3i3x s HIS 155 CO 0.01 -1.71 0.94 1.04 -2.47 0.00 0.00 174.74 172.55 3i3x n GLN 156 N -0.31 0.68 -1.00 2.88 3.00 -1.26 -2.80 117.38 118.57 3i3x n GLN 156 Ca 0.06 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 3i3x n GLN 156 Cb 0.47 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 29.13 3i3x n GLN 156 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3i3x n PHE 157 N 0.86 0.00 -2.87 1.08 3.72 -0.17 -4.97 117.46 115.11 3i3x n PHE 157 Ca 0.16 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.24 3i3x n PHE 157 Cb 0.23 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 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 -2.24 2.66 -0.24 0.00 0.40 -1.26 -1.83 117.98 115.47 3i3x s PHE 159 Ca 0.56 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.72 3i3x s PHE 159 Cb -0.10 -1.56 0.06 0.00 0.51 0.00 0.00 43.02 41.92 3i3x s PHE 159 CO 0.23 0.23 -0.10 0.08 0.70 0.00 0.00 175.22 176.35 3i3x s VAL 160 N -0.83 1.99 0.84 -0.44 1.01 0.12 -0.60 120.40 122.49 3i3x s VAL 160 Ca 0.13 -1.46 -0.11 0.00 0.00 0.00 0.00 61.98 60.54 3i3x s VAL 160 Cb -0.11 -2.11 0.10 0.00 0.00 0.00 0.00 36.38 34.26 3i3x s VAL 160 CO 0.03 0.01 1.09 -0.83 0.00 0.00 0.00 175.10 175.40 3i3x s GLY 161 N 1.19 1.64 0.29 4.51 0.00 0.49 -1.22 107.32 114.22 3i3x s GLY 161 Ca -0.07 0.03 -0.29 0.00 0.00 0.00 0.00 44.72 44.39 3i3x s GLY 161 CO -0.06 0.46 1.21 1.22 0.00 0.00 0.00 173.10 175.92 3i3x n ASP 162 N -3.70 2.16 -1.38 1.64 8.00 -1.26 -3.09 116.55 118.92 3i3x n ASP 162 Ca 0.08 1.18 -0.17 0.00 0.71 0.00 0.00 54.79 56.59 3i3x n ASP 162 Cb 0.55 -1.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.19 3i3x n ASP 162 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i3x n TYR 163 N 0.66 -0.11 -2.66 1.24 4.02 -0.37 -1.27 117.16 118.66 3i3x n TYR 163 Ca 0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.70 3i3x n TYR 163 Cb 0.33 -2.98 0.00 0.00 -0.02 0.00 0.00 39.34 36.67 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 -2.74 6.16 -0.04 7.72 1.04 -1.18 -3.91 113.70 120.74 3i3x s SER 164 Ca 0.00 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.30 3i3x s SER 164 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.99 3i3x s SER 164 CO 0.00 -0.63 -0.11 -0.32 0.98 0.00 0.00 173.24 173.16 3i3x s MET 165 N -4.74 1.26 -0.25 4.02 1.75 0.50 -0.36 119.30 121.47 3i3x s MET 165 Ca 0.48 -0.38 -0.02 0.00 -1.25 0.00 0.00 55.69 54.52 3i3x s MET 165 Cb -0.10 -1.12 0.02 0.00 2.84 0.00 0.00 34.83 36.47 3i3x s MET 165 CO 0.44 0.12 -0.05 0.08 -0.65 0.00 0.00 175.02 174.96 3i3x s VAL 166 N 0.28 3.00 0.81 10.11 1.01 -0.03 -0.04 120.40 135.53 3i3x s VAL 166 Ca -0.06 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 3i3x s VAL 166 Cb -0.11 -2.52 0.08 0.00 0.00 0.00 0.00 36.38 33.82 3i3x s VAL 166 CO 0.01 0.19 1.09 0.00 0.00 0.00 0.00 175.10 176.39 3i3x s ALA 167 N 1.34 2.08 0.34 5.51 0.00 0.11 -0.38 121.76 130.76 3i3x s ALA 167 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.76 3i3x s ALA 167 Cb -0.17 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 3i3x s ALA 167 CO -0.04 -1.88 1.32 0.41 0.00 0.00 0.00 175.76 175.58 3i3x n GLY 168 N -1.39 0.68 2.39 0.00 0.00 -1.26 -2.84 105.19 102.76 3i3x n GLY 168 Ca 0.08 0.33 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 0.87 -1.04 -4.74 0.99 4.77 0.31 -4.81 117.00 113.35 3i3x n LEU 169 Ca 0.05 0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.95 3i3x n LEU 169 Cb 0.36 -2.07 -0.05 0.00 -2.33 0.00 0.00 43.42 39.33 3i3x n LEU 169 CO 0.62 -0.69 0.69 0.00 -1.33 0.00 0.00 177.39 176.68 3i3x s ALA 170 N -2.52 3.31 -0.50 -1.18 0.00 -1.13 -4.68 121.76 115.06 3i3x s ALA 170 Ca 0.00 0.65 -0.17 0.00 0.00 0.00 0.00 51.96 52.44 3i3x s ALA 170 Cb 0.00 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.94 3i3x s ALA 170 CO 0.00 0.03 0.50 0.21 0.00 0.00 0.00 175.76 176.50 3i3x s LYS 171 N -0.63 3.02 -0.35 0.00 2.20 -0.61 -2.19 119.74 121.18 3i3x s LYS 171 Ca 0.45 -1.31 -0.19 0.00 -0.36 0.00 0.00 55.97 54.56 3i3x s LYS 171 Cb -0.26 -4.17 -0.00 0.00 -1.51 0.00 0.00 37.83 31.89 3i3x s LYS 171 CO 0.32 -1.18 0.54 0.08 -0.36 0.00 0.00 175.35 174.76 3i3x s VAL 172 N 1.95 4.99 -0.10 4.02 1.01 -0.05 -3.68 120.40 128.55 3i3x s VAL 172 Ca 0.07 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.50 3i3x s VAL 172 Cb -0.24 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 3i3x s VAL 172 CO 0.07 -0.22 0.12 1.33 0.00 0.00 0.00 175.10 176.40 3i3x n VAL 173 N 5.45 0.00 -4.42 2.92 0.24 -1.26 -0.57 118.33 120.69 3i3x n VAL 173 Ca -0.04 -0.27 -0.23 0.00 -2.04 0.00 0.00 64.34 61.76 3i3x n VAL 173 Cb 0.49 0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 33.51 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 -1.75 1.87 0.57 7.34 -0.21 -1.26 -4.89 119.66 121.33 3i3x s GLN 174 Ca 0.00 -2.12 -0.20 0.00 0.02 0.00 0.00 55.36 53.06 3i3x s GLN 174 Cb 0.03 -0.22 -0.04 0.00 1.00 0.00 0.00 33.01 33.78 3i3x s GLN 174 CO 0.15 -0.56 1.29 -0.51 -2.12 0.00 0.00 175.29 173.54 3i3x s ASP 175 N -3.52 5.19 -0.40 5.90 1.01 0.02 -4.53 116.67 120.34 3i3x s ASP 175 Ca 0.30 2.59 -0.13 0.00 0.71 0.00 0.00 52.55 56.03 3i3x s ASP 175 Cb 0.02 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.37 3i3x s ASP 175 CO 0.20 -1.61 0.27 -0.69 0.21 0.00 0.00 175.17 173.55 3i3x s VAL 176 N -1.42 4.84 0.62 -1.27 1.01 0.23 -1.30 120.40 123.11 3i3x s VAL 176 Ca 0.75 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 3i3x s VAL 176 Cb -0.36 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3i3x s VAL 176 CO 0.41 -0.34 1.15 -2.16 0.00 0.00 0.00 175.10 174.15 3i3x s PRO 177 N 1.59 2.89 0.60 2.72 0.04 -1.26 -0.38 135.00 141.20 3i3x s PRO 177 Ca 0.03 1.58 -0.20 0.00 0.04 0.00 0.00 61.00 62.46 3i3x s PRO 177 Cb -0.20 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3i3x s PRO 177 CO 0.07 -1.21 1.31 -0.35 0.04 0.00 0.00 177.00 176.86 3i3x n PRO 178 N -2.00 1.35 -1.15 0.56 -0.04 -1.26 -2.98 135.00 129.47 3i3x n PRO 178 Ca 0.12 0.51 -0.05 0.00 -0.04 0.00 0.00 63.50 64.04 3i3x n PRO 178 Cb 0.51 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 3i3x n PRO 178 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i3x n TYR 179 N -1.55 0.00 -4.32 0.54 4.01 -0.40 -4.92 117.16 110.52 3i3x n TYR 179 Ca 0.14 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.64 3i3x n TYR 179 Cb 0.47 -1.84 -0.08 0.00 -0.31 0.00 0.00 39.34 37.57 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 -2.30 4.31 -0.12 7.72 0.01 -1.16 0.23 113.70 122.40 3i3x s SER 180 Ca 0.00 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.49 3i3x s SER 180 Cb 0.00 -0.68 -0.01 0.00 0.21 0.00 0.00 66.02 65.53 3i3x s SER 180 CO 0.00 -0.04 -0.14 -0.89 0.41 0.00 0.00 173.24 172.57 3i3x s THR 181 N -2.40 2.94 -0.03 1.44 2.01 -0.60 -0.37 115.64 118.64 3i3x s THR 181 Ca 0.32 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.68 3i3x s THR 181 Cb -0.05 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 3i3x s THR 181 CO 0.19 0.53 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.73 3i3x s VAL 182 N 0.24 1.87 -0.21 3.82 1.01 0.94 -0.53 120.40 127.54 3i3x s VAL 182 Ca -0.10 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 3i3x s VAL 182 Cb -0.16 -1.56 0.06 0.00 0.00 0.00 0.00 36.38 34.72 3i3x s VAL 182 CO 0.06 0.53 0.62 -0.62 0.00 0.00 0.00 175.10 175.68 3i3x s ASP 183 N -0.46 -0.64 0.00 3.32 2.15 -0.73 -0.71 116.67 119.60 3i3x s ASP 183 Ca 0.06 1.17 0.00 0.00 0.43 0.00 0.00 52.55 54.22 3i3x s ASP 183 Cb -0.10 1.18 0.00 0.00 -0.30 0.00 0.00 42.92 43.70 3i3x s ASP 183 CO 0.00 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 3i3x n GLY 184 N 2.52 0.36 2.79 2.66 0.00 -1.26 -1.39 105.19 110.88 3i3x n GLY 184 Ca -0.14 -2.31 -0.15 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.19 1.28 0.40 1.61 3.84 -1.26 -1.57 114.94 118.05 3i3x s ASN 185 Ca 0.00 -0.45 -0.26 0.00 0.21 0.00 0.00 52.86 52.36 3i3x s ASN 185 Cb 0.00 0.62 -0.09 0.00 -0.55 0.00 0.00 41.25 41.24 3i3x s ASN 185 CO 0.00 -0.36 1.27 -2.16 -2.79 0.00 0.00 177.10 173.06 3i3x s PRO 186 N 2.40 4.00 0.46 0.43 0.04 -1.26 -5.05 135.00 136.01 3i3x s PRO 186 Ca 0.09 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 63.03 3i3x s PRO 186 Cb -0.14 -2.75 -0.09 0.00 0.04 0.00 0.00 34.50 31.55 3i3x s PRO 186 CO -0.25 -0.44 0.94 -1.54 0.04 0.00 0.00 177.00 175.75 3i3x s SER 187 N -0.83 6.78 0.11 6.66 1.04 -1.15 -5.00 113.70 121.30 3i3x s SER 187 Ca 0.57 1.58 0.03 0.00 0.48 0.00 0.00 55.95 58.61 3i3x s SER 187 Cb -0.36 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.21 3i3x s SER 187 CO 0.46 -0.44 -0.09 0.42 0.98 0.00 0.00 173.24 174.57 3i3x s THR 188 N -2.36 0.94 -0.16 2.02 -4.23 -0.48 -4.69 115.64 106.68 3i3x s THR 188 Ca 0.60 -1.86 -0.29 0.00 -1.18 0.00 0.00 61.69 58.95 3i3x s THR 188 Cb -0.10 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.11 3i3x s THR 188 CO 0.22 -0.72 1.32 -0.69 -0.54 0.00 0.00 174.62 174.22 3i3x s VAL 189 N -3.08 4.17 -0.11 2.29 1.01 -0.10 -1.78 120.40 122.79 3i3x s VAL 189 Ca 0.11 1.41 -0.08 0.00 0.00 0.00 0.00 61.98 63.41 3i3x s VAL 189 Cb 0.01 -3.92 -0.26 0.00 0.00 0.00 0.00 36.38 32.20 3i3x s VAL 189 CO -0.01 -0.14 0.40 0.58 0.00 0.00 0.00 175.10 175.93 3i3x h VAL 190 N 5.53 0.69 0.00 2.92 2.07 -1.15 -0.49 116.25 125.82 3i3x h VAL 190 Ca -0.28 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 64.88 3i3x h VAL 190 Cb 1.11 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 3i3x h VAL 190 CO 0.97 0.86 0.00 0.61 0.02 0.00 0.00 177.57 180.03 3i3x n GLY 191 N 1.94 -0.82 3.87 2.17 0.00 -1.23 -4.86 105.19 106.25 3i3x n GLY 191 Ca -0.31 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 4.24 -1.45 0.99 1.43 -1.26 -1.56 118.68 121.07 3i3x s LEU 192 Ca 0.00 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 3i3x s LEU 192 Cb 0.00 -3.48 0.04 0.00 0.03 0.00 0.00 46.19 42.79 3i3x s LEU 192 CO 0.00 0.01 2.36 -3.20 0.23 0.00 0.00 176.35 175.74 3i3x n ASN 193 N 0.24 5.85 -0.32 2.29 5.15 0.14 -4.51 115.26 124.10 3i3x n ASN 193 Ca -0.02 -2.87 0.02 0.00 -0.60 0.00 0.00 54.58 51.11 3i3x n ASN 193 Cb 0.52 -1.56 0.20 0.00 -0.53 0.00 0.00 39.78 38.41 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 5.53 0.98 -0.09 1.20 0.02 -1.94 -1.91 113.55 117.34 3i3x h SER 194 Ca 0.63 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.57 3i3x h SER 194 Cb 0.51 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3i3x h SER 194 CO 1.76 0.66 0.05 0.58 -1.14 0.00 0.00 176.83 178.74 3i3x h VAL 195 N 1.13 1.08 -0.28 2.27 2.07 -1.99 0.86 116.25 121.39 3i3x h VAL 195 Ca 0.38 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.60 3i3x h VAL 195 Cb 0.08 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3i3x h VAL 195 CO -0.13 0.07 -0.22 1.23 0.02 0.00 0.00 177.57 178.54 3i3x h GLY 196 N 0.06 0.57 0.79 2.17 0.00 -1.87 0.12 103.07 104.91 3i3x h GLY 196 Ca 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 3i3x h GLY 196 CO -0.01 0.42 -0.00 -0.33 0.00 0.00 0.00 176.54 176.62 3i3x h MET 197 N 0.47 0.28 -0.40 4.80 2.86 -1.19 -2.07 114.93 119.67 3i3x h MET 197 Ca 0.07 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3i3x h MET 197 Cb 0.64 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3i3x h MET 197 CO 0.05 0.51 0.25 0.87 1.06 0.00 0.00 176.91 179.64 3i3x h LYS 198 N 0.02 0.49 -0.58 1.72 1.57 -0.65 -1.93 116.57 117.20 3i3x h LYS 198 Ca 0.04 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 3i3x h LYS 198 Cb 0.39 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3i3x h LYS 198 CO 0.01 0.32 0.40 -0.09 -0.57 0.00 0.00 179.45 179.52 3i3x h ARG 199 N 0.51 0.33 -0.18 3.15 2.43 -0.79 -1.92 114.38 117.89 3i3x h ARG 199 Ca 0.16 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3i3x h ARG 199 Cb -0.02 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3i3x h ARG 199 CO -0.06 0.22 0.00 0.00 -1.51 0.00 0.00 179.97 178.62 3i3x n ALA 200 N -2.54 2.51 -1.16 2.80 0.00 -0.76 -4.94 120.51 116.42 3i3x n ALA 200 Ca 0.10 -0.55 -0.06 0.00 0.00 0.00 0.00 53.44 52.94 3i3x n ALA 200 Cb 0.41 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3i3x n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3x n GLY 201 N 1.14 0.75 3.65 0.00 0.00 -0.72 -4.97 105.19 105.04 3i3x n GLY 201 Ca 0.16 -0.32 -0.47 0.00 0.00 0.00 0.00 46.02 45.39 3i3x n GLY 201 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i3x n PHE 202 N -2.63 2.04 -1.18 1.61 0.99 -1.02 -4.94 117.46 112.33 3i3x n PHE 202 Ca -0.06 0.41 -0.32 0.00 -0.00 0.00 0.00 57.45 57.48 3i3x n PHE 202 Cb 0.29 -2.46 0.11 0.00 -1.00 0.00 0.00 39.48 36.42 3i3x n PHE 202 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3i3x s SER 203 N 0.61 3.89 0.49 4.37 1.04 -1.26 -4.74 113.70 118.10 3i3x s SER 203 Ca 0.77 2.17 0.22 0.00 0.48 0.00 0.00 55.95 59.59 3i3x s SER 203 Cb -0.73 -2.57 1.27 0.00 0.10 0.00 0.00 66.02 64.09 3i3x s SER 203 CO 0.43 -2.46 1.96 -0.65 0.98 0.00 0.00 173.24 173.51 3i3x h PRO 204 N -0.96 0.16 -0.00 4.02 0.11 -2.00 -1.93 132.00 131.40 3i3x h PRO 204 Ca -0.45 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.43 3i3x h PRO 204 Cb 1.27 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i3x h PRO 204 CO 0.48 0.10 -0.91 0.93 -0.21 0.00 0.00 178.00 178.39 3i3x h GLU 205 N 0.16 0.36 -0.32 1.05 3.07 -1.99 -1.63 114.58 115.28 3i3x h GLU 205 Ca 0.31 -0.38 -0.12 0.00 -0.50 0.00 0.00 59.36 58.67 3i3x h GLU 205 Cb 1.00 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 3i3x h GLU 205 CO -0.05 1.06 -0.28 0.28 -1.40 0.00 0.00 179.01 178.62 3i3x h VAL 206 N 0.20 1.29 -0.62 3.13 2.07 -1.80 -2.28 116.25 118.24 3i3x h VAL 206 Ca -0.07 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3i3x h VAL 206 Cb 1.54 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 3i3x h VAL 206 CO 0.15 0.47 0.40 0.03 0.02 0.00 0.00 177.57 178.64 3i3x h ARG 207 N 0.52 0.82 -0.21 1.57 3.08 -1.33 -1.64 114.38 117.20 3i3x h ARG 207 Ca 0.06 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3i3x h ARG 207 Cb 0.84 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3i3x h ARG 207 CO 0.07 0.55 -0.27 -0.91 -1.07 0.00 0.00 179.97 178.35 3i3x h ASN 208 N 0.84 0.40 -0.54 7.04 2.35 -1.30 -0.15 115.58 124.23 3i3x h ASN 208 Ca 0.23 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 3i3x h ASN 208 Cb -0.08 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3i3x h ASN 208 CO -0.05 0.66 0.05 0.00 -1.65 0.00 0.00 177.43 176.45 3i3x h ALA 209 N 1.37 1.00 -0.33 -0.83 0.00 -1.13 -1.23 119.26 118.11 3i3x h ALA 209 Ca 0.05 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 3i3x h ALA 209 Cb 0.66 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i3x h ALA 209 CO 0.05 0.62 -0.49 0.82 0.00 0.00 0.00 179.25 180.25 3i3x h ILE 210 N 0.89 1.27 -0.62 0.00 2.04 -1.04 -2.19 117.51 117.87 3i3x h ILE 210 Ca 0.17 -1.67 0.03 0.00 1.00 0.00 0.00 64.86 64.40 3i3x h ILE 210 Cb 0.45 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 3i3x h ILE 210 CO 0.02 0.55 0.37 0.50 0.00 0.00 0.00 178.15 179.59 3i3x h LYS 211 N 0.71 0.71 -0.54 2.37 3.64 -0.90 -2.21 116.57 120.34 3i3x h LYS 211 Ca 0.03 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 3i3x h LYS 211 Cb 1.09 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3i3x h LYS 211 CO 0.11 0.47 -0.12 1.25 -2.27 0.00 0.00 179.45 178.89 3i3x h HIS 212 N 0.73 1.16 -0.51 1.91 2.76 -1.16 0.05 115.15 120.08 3i3x h HIS 212 Ca 0.25 -0.24 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 3i3x h HIS 212 Cb 0.04 -0.28 -0.06 0.00 1.55 0.00 0.00 27.41 28.66 3i3x h HIS 212 CO -0.06 1.07 0.19 0.00 -1.30 0.00 0.00 177.93 177.83 3i3x h ALA 213 N 0.93 0.62 0.00 5.26 0.00 -1.11 0.05 119.26 125.02 3i3x h ALA 213 Ca 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3i3x h ALA 213 Cb 0.69 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3i3x h ALA 213 CO 0.05 -0.20 -0.12 1.88 0.00 0.00 0.00 179.25 180.86 3i3x h TYR 214 N 0.37 0.00 -0.19 0.00 0.05 -1.21 -0.45 116.97 115.53 3i3x h TYR 214 Ca 0.24 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.99 3i3x h TYR 214 Cb 0.25 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 3i3x h TYR 214 CO -0.16 0.12 -0.01 -0.22 -1.05 0.00 0.00 178.16 176.84 3i3x h LYS 215 N 0.00 0.35 -0.19 4.88 3.64 -0.15 0.10 116.57 125.20 3i3x h LYS 215 Ca -0.00 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3i3x h LYS 215 Cb 0.84 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3i3x h LYS 215 CO 0.02 0.57 0.08 0.28 -2.27 0.00 0.00 179.45 178.12 3i3x h VAL 216 N 0.09 1.16 -0.27 2.00 2.07 -0.86 0.49 116.25 120.92 3i3x h VAL 216 Ca 0.05 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3i3x h VAL 216 Cb 0.42 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3i3x h VAL 216 CO 0.01 0.15 0.10 0.40 0.02 0.00 0.00 177.57 178.25 3i3x h ILE 217 N 0.16 1.19 0.00 4.57 2.04 -1.02 -3.36 117.51 121.08 3i3x h ILE 217 Ca 0.06 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 3i3x h ILE 217 Cb 0.17 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3i3x h ILE 217 CO -0.01 0.19 -1.54 -1.22 0.00 0.00 0.00 178.15 175.58 3i3x n TYR 218 N -4.74 0.00 -1.47 1.37 4.01 0.34 -4.66 117.16 112.00 3i3x n TYR 218 Ca -0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.78 3i3x n TYR 218 Cb 0.15 -0.29 0.11 0.00 -0.31 0.00 0.00 39.34 38.99 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 -1.96 0.00 -0.48 -0.72 8.25 0.14 -4.74 115.22 115.71 3i3x n HIS 219 Ca -0.04 -0.79 0.04 0.00 -0.26 0.00 0.00 57.72 56.67 3i3x n HIS 219 Cb 0.37 -0.14 0.06 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.91 2.13 -2.51 0.41 7.64 -1.08 -4.91 113.62 114.40 3i3x n SER 220 Ca 0.12 -2.47 -0.20 0.00 1.01 0.00 0.00 58.87 57.33 3i3x n SER 220 Cb 0.70 -0.19 0.02 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.90 -0.41 3.19 0.23 0.00 -1.26 -5.00 105.19 101.02 3i3x n GLY 221 Ca 0.07 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.05 1.23 0.82 -0.61 -4.36 -1.26 -5.13 121.20 108.83 3i3x s ILE 222 Ca 0.16 -1.27 -0.13 0.00 -0.26 0.00 0.00 60.65 59.15 3i3x s ILE 222 Cb -0.07 -1.15 0.07 0.00 1.25 0.00 0.00 42.46 42.56 3i3x s ILE 222 CO 0.20 -0.13 1.03 -1.54 0.24 0.00 0.00 174.94 174.75 3i3x n SER 223 N 1.42 0.40 -0.23 4.36 3.41 -1.26 -4.78 113.62 116.95 3i3x n SER 223 Ca -0.20 0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 58.95 3i3x n SER 223 Cb 0.54 -1.44 0.10 0.00 -0.26 0.00 0.00 64.21 63.15 3i3x n SER 223 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3i3x h THR 224 N -0.95 0.93 -0.32 6.66 2.02 -1.96 -0.73 112.91 118.55 3i3x h THR 224 Ca -0.46 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 66.58 3i3x h THR 224 Cb 1.30 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.87 3i3x h THR 224 CO 0.44 0.12 -0.32 -0.09 0.37 0.00 0.00 175.52 176.04 3i3x h ARG 225 N 0.63 -0.28 0.00 6.66 2.43 -1.97 -1.63 114.38 120.23 3i3x h ARG 225 Ca 0.30 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.39 3i3x h ARG 225 Cb 0.23 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3i3x h ARG 225 CO -0.21 -0.18 -0.46 0.87 -1.51 0.00 0.00 179.97 178.48 3i3x h LYS 226 N -0.29 0.00 -0.23 0.20 1.57 -1.82 -2.89 116.57 113.11 3i3x h LYS 226 Ca 0.15 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3i3x h LYS 226 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3i3x h LYS 226 CO -0.48 0.46 -0.06 0.00 -0.57 0.00 0.00 179.45 178.80 3i3x h ALA 227 N 1.54 0.32 -0.46 3.86 0.00 -0.58 -0.91 119.26 123.02 3i3x h ALA 227 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3i3x h ALA 227 Cb 0.87 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3i3x h ALA 227 CO 0.06 0.12 0.11 -0.07 0.00 0.00 0.00 179.25 179.46 3i3x h LEU 228 N 0.18 0.71 -0.89 0.00 3.38 -1.29 -1.18 115.31 116.22 3i3x h LEU 228 Ca 0.06 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3i3x h LEU 228 Cb 0.52 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3i3x h LEU 228 CO 0.02 0.76 0.58 0.44 0.09 0.00 0.00 178.44 180.33 3i3x h ASP 229 N 0.62 0.97 -0.73 -0.43 3.32 -1.48 -2.34 116.42 116.34 3i3x h ASP 229 Ca 0.14 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3i3x h ASP 229 Cb 0.33 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3i3x h ASP 229 CO 0.00 0.67 0.26 -0.08 -1.72 0.00 0.00 179.24 178.37 3i3x h GLU 230 N 1.13 1.13 -0.43 3.56 4.81 -0.81 -1.27 114.58 122.70 3i3x h GLU 230 Ca 0.35 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3i3x h GLU 230 Cb -0.03 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3i3x h GLU 230 CO -0.11 0.95 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.97 3i3x h LEU 231 N 1.09 0.74 -0.59 1.64 3.38 -0.97 -2.47 115.31 118.13 3i3x h LEU 231 Ca 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i3x h LEU 231 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i3x h LEU 231 CO -0.01 0.86 0.00 -0.33 0.09 0.00 0.00 178.44 179.04 3i3x h GLU 232 N 0.69 0.00 -0.73 1.13 5.08 -1.08 -3.33 114.58 116.34 3i3x h GLU 232 Ca 0.12 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 3i3x h GLU 232 Cb 0.54 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 3i3x h GLU 232 CO 0.03 0.00 -0.48 0.00 -1.00 0.00 0.00 179.01 177.56 3i3x h ALA 233 N 2.19 -0.49 0.00 3.43 0.00 -0.74 -3.41 119.26 120.24 3i3x h ALA 233 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i3x h ALA 233 Cb 0.64 1.27 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3i3x h ALA 233 CO 0.00 -0.82 0.00 0.45 0.00 0.00 0.00 179.25 178.88 3i3x n SER 234 N -4.85 0.00 0.00 0.00 2.88 -1.25 -5.00 113.62 105.40 3i3x n SER 234 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 3i3x n SER 234 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 3i3x n SER 234 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i3x n GLY 235 N 0.00 0.11 3.34 0.46 0.00 -1.26 -5.09 105.19 102.75 3i3x n GLY 235 Ca 0.00 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 3i3x n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3x s ASN 236 N -4.00 5.75 0.00 1.61 4.22 -1.26 -5.00 114.94 116.26 3i3x s ASN 236 Ca 0.00 -1.23 -0.25 0.00 -2.14 0.00 0.00 52.86 49.24 3i3x s ASN 236 Cb 0.00 -2.03 -0.04 0.00 1.28 0.00 0.00 41.25 40.45 3i3x s ASN 236 CO 0.00 -0.48 0.78 -0.76 -2.04 0.00 0.00 177.10 174.60 3i3x s LEU 237 N 1.52 4.39 0.76 3.54 1.43 -1.26 -5.06 118.68 124.01 3i3x s LEU 237 Ca 0.02 1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 54.39 3i3x s LEU 237 Cb -0.21 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 42.83 3i3x s LEU 237 CO 0.05 -0.07 1.17 0.27 0.23 0.00 0.00 176.35 178.00 3i3x s ILE 238 N 0.39 2.51 0.29 -0.59 -4.36 -1.26 -4.80 121.20 113.38 3i3x s ILE 238 Ca 0.40 0.22 0.03 0.00 -0.26 0.00 0.00 60.65 61.04 3i3x s ILE 238 Cb -0.20 -2.66 0.29 0.00 1.25 0.00 0.00 42.46 41.15 3i3x s ILE 238 CO 0.22 -0.16 1.82 -0.33 0.24 0.00 0.00 174.94 176.73 3i3x h GLU 239 N -0.67 0.88 -0.85 0.37 3.07 -1.99 -1.86 114.58 113.54 3i3x h GLU 239 Ca -0.46 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 58.43 3i3x h GLU 239 Cb 1.28 -0.20 -0.07 0.00 -0.84 0.00 0.00 28.75 28.92 3i3x h GLU 239 CO 0.49 0.58 0.51 1.96 -1.40 0.00 0.00 179.01 181.14 3i3x h GLN 240 N 0.90 0.85 0.15 2.33 7.50 -1.99 0.61 115.11 125.47 3i3x h GLN 240 Ca 0.52 -0.05 -0.29 0.00 0.50 0.00 0.00 58.65 59.33 3i3x h GLN 240 Cb 0.64 -0.19 0.01 0.00 0.05 0.00 0.00 27.48 27.99 3i3x h GLN 240 CO -0.30 0.56 -1.29 0.28 -1.50 0.00 0.00 178.83 176.59 3i3x h VAL 241 N 0.88 1.44 -0.80 -0.54 2.07 -1.75 -1.50 116.25 116.05 3i3x h VAL 241 Ca 0.39 -2.93 0.01 0.00 0.82 0.00 0.00 66.70 64.99 3i3x h VAL 241 Cb 0.28 2.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 3i3x h VAL 241 CO -0.21 0.86 0.53 0.11 0.02 0.00 0.00 177.57 178.88 3i3x h LYS 242 N 0.11 1.04 -0.21 1.57 1.57 -1.17 -1.63 116.57 117.85 3i3x h LYS 242 Ca -0.16 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3i3x h LYS 242 Cb 2.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 3i3x h LYS 242 CO 0.22 0.69 0.09 -0.92 -0.57 0.00 0.00 179.45 178.96 3i3x h TYR 243 N 1.07 0.31 -0.19 -1.35 -0.00 -0.71 -1.45 116.97 114.65 3i3x h TYR 243 Ca 0.30 -0.02 0.05 0.00 -0.00 0.00 0.00 58.73 59.06 3i3x h TYR 243 Cb -0.09 -0.09 -0.07 0.00 -0.00 0.00 0.00 36.73 36.48 3i3x h TYR 243 CO -0.00 0.34 -0.31 0.82 -0.00 0.00 0.00 178.16 179.00 3i3x h ILE 244 N 0.19 0.29 -0.49 1.81 2.04 -0.94 0.10 117.51 120.52 3i3x h ILE 244 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 3i3x h ILE 244 Cb 0.15 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 3i3x h ILE 244 CO -0.01 0.00 0.24 0.40 0.00 0.00 0.00 178.15 178.78 3i3x h ILE 245 N -0.35 0.95 -0.53 -0.67 2.04 -1.26 -1.87 117.51 115.83 3i3x h ILE 245 Ca 0.11 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3i3x h ILE 245 Cb 0.53 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3i3x h ILE 245 CO -0.39 0.09 0.35 0.50 0.00 0.00 0.00 178.15 178.69 3i3x h LYS 246 N 0.47 0.69 -0.42 2.37 3.64 -0.83 -1.64 116.57 120.85 3i3x h LYS 246 Ca 0.21 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 3i3x h LYS 246 Cb 0.13 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3i3x h LYS 246 CO -0.16 0.46 0.12 0.35 -2.27 0.00 0.00 179.45 177.95 3i3x h PHE 247 N 0.71 0.20 -0.38 1.91 3.57 -0.09 0.40 116.94 123.25 3i3x h PHE 247 Ca 0.19 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 3i3x h PHE 247 Cb -0.08 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3i3x h PHE 247 CO -0.04 0.05 0.09 0.74 -2.23 0.00 0.00 178.31 176.92 3i3x h PHE 248 N 0.26 0.65 -0.35 0.41 -1.00 -1.25 -2.55 116.94 113.11 3i3x h PHE 248 Ca 0.20 -0.08 -0.06 0.00 2.81 0.00 0.00 57.97 60.85 3i3x h PHE 248 Cb 0.22 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 3i3x h PHE 248 CO -0.18 0.63 -0.03 0.00 -1.61 0.00 0.00 178.31 177.12 3i3x h ARG 249 N 0.47 0.55 -0.01 1.51 3.08 -0.74 -2.99 114.38 116.26 3i3x h ARG 249 Ca 0.12 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3i3x h ARG 249 Cb 0.31 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3i3x h ARG 249 CO 0.00 0.60 -0.16 -0.25 -1.07 0.00 0.00 179.97 179.09 3i3x n ASP 250 N -4.25 0.68 -4.74 7.04 9.92 0.13 -4.95 116.55 120.38 3i3x n ASP 250 Ca 0.01 -0.69 -0.42 0.00 -0.53 0.00 0.00 54.79 53.17 3i3x n ASP 250 Cb 0.27 -0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.73 3i3x n ASP 250 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3i3x s SER 251 N -2.49 6.47 -0.18 -2.24 0.15 -0.97 -4.95 113.70 109.50 3i3x s SER 251 Ca 0.27 2.83 -0.21 0.00 0.70 0.00 0.00 55.95 59.54 3i3x s SER 251 Cb 0.20 -2.62 -0.18 0.00 -1.71 0.00 0.00 66.02 61.70 3i3x s SER 251 CO 0.49 -0.85 0.32 0.44 1.20 0.00 0.00 173.24 174.84 3i3x h ASP 252 N 5.30 0.00 0.59 5.45 3.32 -1.91 -3.39 116.42 125.78 3i3x h ASP 252 Ca -0.46 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.03 3i3x h ASP 252 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3i3x h ASP 252 CO 0.82 1.21 -0.23 0.54 -1.72 0.00 0.00 179.24 179.86 3i3x n ARG 253 N -4.52 0.25 0.00 3.56 1.74 -1.26 -5.06 116.66 111.37 3i3x n ARG 253 Ca -0.21 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 3i3x n ARG 253 Cb 0.54 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 1.43 0.80 3.83 -0.13 0.00 -1.26 -4.85 105.19 105.00 3i3x n GLY 254 Ca 0.09 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.64 5.05 0.14 1.61 1.01 -1.26 -0.80 120.40 123.50 3i3x s VAL 255 Ca 0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 61.98 61.43 3i3x s VAL 255 Cb 0.00 -3.29 -0.16 0.00 0.00 0.00 0.00 36.38 32.93 3i3x s VAL 255 CO 0.00 0.41 1.24 0.41 0.00 0.00 0.00 175.10 177.16 3i3x n THR 256 N 1.32 0.57 -2.15 3.92 -1.04 -0.42 -4.73 114.28 111.74 3i3x n THR 256 Ca -0.14 -0.14 -0.36 0.00 -2.04 0.00 0.00 64.05 61.37 3i3x n THR 256 Cb 0.53 -0.86 0.01 0.00 -1.82 0.00 0.00 70.33 68.19 3i3x n THR 256 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3i3x s ASN 257 N 0.19 5.67 0.58 8.00 0.01 -1.26 -4.57 114.94 123.56 3i3x s ASN 257 Ca 0.77 2.32 -0.15 0.00 -0.71 0.00 0.00 52.86 55.09 3i3x s ASN 257 Cb -0.88 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.14 3i3x s ASN 257 CO 0.50 -1.26 1.03 -2.28 -1.51 0.00 0.00 177.10 173.58 3i3x s HIS 258 N -1.62 3.24 -2.00 2.20 2.46 -1.26 -0.92 115.29 117.39 3i3x s HIS 258 Ca 0.71 1.46 0.14 0.00 0.47 0.00 0.00 55.06 57.84 3i3x s HIS 258 Cb -0.28 -2.89 0.82 0.00 -0.13 0.00 0.00 32.58 30.10 3i3x s HIS 258 CO 0.32 -0.81 1.24 -2.13 -2.47 0.00 0.00 174.74 170.89