#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3a s LYS 2 N 0.00 0.25 -0.19 3.17 2.47 -1.26 -5.07 119.74 119.11 3i3a s LYS 2 Ca 0.00 0.84 -0.03 0.00 -1.56 0.00 0.00 55.97 55.22 3i3a s LYS 2 Cb 0.00 0.09 -0.01 0.00 -1.46 0.00 0.00 37.83 36.45 3i3a s LYS 2 CO 0.00 -0.24 -0.07 0.42 0.16 0.00 0.00 175.35 175.62 3i3a s ILE 3 N 2.23 3.36 0.24 5.43 1.01 -1.26 -2.21 121.20 130.00 3i3a s ILE 3 Ca -0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 3i3a s ILE 3 Cb -0.11 -2.49 -0.10 0.00 0.01 0.00 0.00 42.46 39.77 3i3a s ILE 3 CO -0.11 0.46 1.45 -2.28 0.00 0.00 0.00 174.94 174.47 3i3a s HIS 4 N 1.01 3.02 0.55 3.97 2.46 0.01 -4.90 115.29 121.41 3i3a s HIS 4 Ca -0.00 0.98 0.27 0.00 0.47 0.00 0.00 55.06 56.78 3i3a s HIS 4 Cb -0.15 -3.83 1.45 0.00 -0.13 0.00 0.00 32.58 29.92 3i3a s HIS 4 CO -0.00 -2.75 1.98 -1.35 -2.47 0.00 0.00 174.74 170.15 3i3a h PRO 5 N 5.26 0.00 -0.00 2.88 0.11 -1.94 0.48 132.00 138.78 3i3a h PRO 5 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i3a h PRO 5 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i3a h PRO 5 CO 0.79 0.00 -0.07 0.25 -0.21 0.00 0.00 178.00 178.77 3i3a n THR 6 N -4.19 0.00 -2.30 -1.15 -2.24 -1.26 -4.85 114.28 98.29 3i3a n THR 6 Ca 0.09 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.45 3i3a n THR 6 Cb 0.61 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 3i3a n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3a s ALA 7 N -2.74 3.46 -0.40 6.98 0.00 0.16 -3.76 121.76 125.44 3i3a s ALA 7 Ca 0.22 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 53.14 3i3a s ALA 7 Cb 0.20 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.97 3i3a s ALA 7 CO 0.51 -0.40 0.25 0.42 0.00 0.00 0.00 175.76 176.54 3i3a s ILE 8 N -0.96 4.43 -0.15 0.00 1.01 0.24 -4.95 121.20 120.82 3i3a s ILE 8 Ca 0.48 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3i3a s ILE 8 Cb -0.35 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.52 3i3a s ILE 8 CO 0.45 -0.40 -0.21 -0.63 0.00 0.00 0.00 174.94 174.15 3i3a s ILE 9 N 1.49 2.02 0.26 2.92 1.01 -1.26 -0.50 121.20 127.14 3i3a s ILE 9 Ca 0.02 -0.95 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 3i3a s ILE 9 Cb -0.22 -1.80 -0.12 0.00 0.01 0.00 0.00 42.46 40.34 3i3a s ILE 9 CO 0.04 0.54 1.64 -0.62 0.00 0.00 0.00 174.94 176.54 3i3a s ASP 10 N 0.96 6.38 0.63 3.58 -1.08 0.28 -4.88 116.67 122.53 3i3a s ASP 10 Ca -0.04 2.92 0.34 0.00 -0.52 0.00 0.00 52.55 55.25 3i3a s ASP 10 Cb -0.15 -2.62 1.88 0.00 -1.46 0.00 0.00 42.92 40.57 3i3a s ASP 10 CO -0.05 -0.93 2.14 1.55 0.52 0.00 0.00 175.17 178.40 3i3a h PRO 11 N 5.52 0.00 -0.01 4.34 0.13 -1.94 -1.80 132.00 138.25 3i3a h PRO 11 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3i3a h PRO 11 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3i3a h PRO 11 CO 0.85 0.00 -0.37 1.63 -0.23 0.00 0.00 178.00 179.88 3i3a n LYS 12 N -3.36 0.83 -2.27 0.86 5.02 -1.26 -4.89 118.16 113.08 3i3a n LYS 12 Ca -0.01 -0.56 -0.41 0.00 -2.02 0.00 0.00 58.31 55.31 3i3a n LYS 12 Cb 0.26 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 3i3a n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i3a s ALA 13 N -2.56 3.49 -0.46 7.82 0.00 -0.68 -4.55 121.76 124.82 3i3a s ALA 13 Ca 0.21 1.07 -0.10 0.00 0.00 0.00 0.00 51.96 53.13 3i3a s ALA 13 Cb 0.19 -3.45 0.11 0.00 0.00 0.00 0.00 23.12 19.97 3i3a s ALA 13 CO 0.57 -0.47 0.34 -1.21 0.00 0.00 0.00 175.76 174.99 3i3a s GLU 14 N -0.54 2.60 -0.13 0.00 2.02 0.57 -5.00 118.70 118.22 3i3a s GLU 14 Ca 0.53 -1.65 -0.00 0.00 0.02 0.00 0.00 54.97 53.87 3i3a s GLU 14 Cb -0.35 -3.94 -0.02 0.00 0.10 0.00 0.00 34.13 29.92 3i3a s GLU 14 CO 0.40 -1.13 -0.12 -0.51 0.02 0.00 0.00 175.26 173.92 3i3a s LEU 15 N 1.42 2.78 0.72 1.80 1.02 -1.26 -0.82 118.68 124.35 3i3a s LEU 15 Ca 0.05 -0.30 -0.16 0.00 0.02 0.00 0.00 54.13 53.74 3i3a s LEU 15 Cb -0.26 -1.63 0.03 0.00 0.02 0.00 0.00 46.19 44.36 3i3a s LEU 15 CO 0.01 0.18 1.26 -2.28 0.02 0.00 0.00 176.35 175.53 3i3a s HIS 16 N 0.29 1.93 0.48 0.29 5.65 -0.65 -4.88 115.29 118.39 3i3a s HIS 16 Ca -0.09 1.57 0.29 0.00 0.25 0.00 0.00 55.06 57.08 3i3a s HIS 16 Cb -0.15 -3.61 1.63 0.00 -1.18 0.00 0.00 32.58 29.27 3i3a s HIS 16 CO 0.05 -2.93 2.15 1.05 -0.65 0.00 0.00 174.74 174.41 3i3a h GLU 17 N -0.14 0.00 0.00 2.88 -0.00 -1.96 -2.30 114.58 113.06 3i3a h GLU 17 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 3i3a h GLU 17 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.07 3i3a h GLU 17 CO 0.50 0.07 -0.01 -1.13 -0.00 0.00 0.00 179.01 178.44 3i3a n SER 18 N -3.66 0.82 -4.69 3.06 3.41 -1.26 0.79 113.62 112.10 3i3a n SER 18 Ca -0.02 0.57 -0.45 0.00 -0.26 0.00 0.00 58.87 58.71 3i3a n SER 18 Cb 0.18 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 63.31 3i3a n SER 18 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3i3a n VAL 19 N -2.27 0.12 -3.98 -3.33 0.31 -0.87 -3.25 118.33 105.06 3i3a n VAL 19 Ca 0.06 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 64.01 3i3a n VAL 19 Cb 0.43 -1.79 -0.09 0.00 -0.91 0.00 0.00 33.84 31.48 3i3a n VAL 19 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i3a s GLU 20 N 1.60 3.81 -0.11 5.55 2.02 -0.87 -3.74 118.70 126.95 3i3a s GLU 20 Ca 0.80 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.50 3i3a s GLU 20 Cb -0.60 -3.20 0.02 0.00 0.10 0.00 0.00 34.13 30.46 3i3a s GLU 20 CO 0.38 0.42 -0.10 0.08 0.02 0.00 0.00 175.26 176.05 3i3a s VAL 21 N -0.02 1.18 0.59 2.63 1.01 -0.94 0.36 120.40 125.21 3i3a s VAL 21 Ca 0.07 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 3i3a s VAL 21 Cb -0.12 -1.15 0.13 0.00 0.00 0.00 0.00 36.38 35.25 3i3a s VAL 21 CO 0.01 0.39 0.81 0.61 0.00 0.00 0.00 175.10 176.91 3i3a n GLY 22 N 4.67 -0.75 3.74 4.51 0.00 0.60 -0.81 105.19 117.14 3i3a n GLY 22 Ca -0.16 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3i3a n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i3a s PRO 23 N -4.69 4.12 -1.74 1.61 0.02 -1.26 -3.22 135.00 129.84 3i3a s PRO 23 Ca 0.48 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.10 3i3a s PRO 23 Cb -0.02 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3i3a s PRO 23 CO 0.33 -0.69 0.00 0.66 -0.33 0.00 0.00 177.00 176.97 3i3a n TYR 24 N 3.04 -0.24 -2.87 6.54 4.02 -1.25 -1.26 117.16 125.14 3i3a n TYR 24 Ca 0.12 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.68 3i3a n TYR 24 Cb 0.36 -3.12 -0.06 0.00 -0.02 0.00 0.00 39.34 36.51 3i3a n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i3a s SER 25 N -2.65 6.82 -0.12 7.72 0.01 -1.20 -3.82 113.70 120.46 3i3a s SER 25 Ca 0.00 1.51 0.01 0.00 1.31 0.00 0.00 55.95 58.78 3i3a s SER 25 Cb 0.00 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.78 3i3a s SER 25 CO 0.00 -0.34 -0.15 -0.63 0.41 0.00 0.00 173.24 172.53 3i3a s ILE 26 N -2.19 1.53 -0.19 1.44 1.01 0.77 -0.59 121.20 122.98 3i3a s ILE 26 Ca 0.58 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3i3a s ILE 26 Cb -0.10 -1.41 0.04 0.00 0.01 0.00 0.00 42.46 41.00 3i3a s ILE 26 CO 0.18 0.45 -0.13 -0.63 0.00 0.00 0.00 174.94 174.81 3i3a s ILE 27 N 1.11 1.73 0.83 2.92 1.01 0.34 -0.94 121.20 128.20 3i3a s ILE 27 Ca -0.04 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.54 3i3a s ILE 27 Cb -0.14 -1.72 0.19 0.00 0.01 0.00 0.00 42.46 40.80 3i3a s ILE 27 CO -0.04 0.29 1.13 -0.62 0.00 0.00 0.00 174.94 175.70 3i3a n GLU 28 N 4.68 -0.98 -1.92 2.79 1.02 -0.18 -0.56 120.64 125.50 3i3a n GLU 28 Ca -0.16 -1.91 -0.30 0.00 -0.02 0.00 0.00 57.16 54.77 3i3a n GLU 28 Cb 0.48 -1.12 0.18 0.00 -0.02 0.00 0.00 31.44 30.97 3i3a n GLU 28 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i3a s GLY 29 N -5.45 1.77 -1.45 0.62 0.00 -1.26 -4.25 107.32 97.30 3i3a s GLY 29 Ca 0.65 -1.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.13 3i3a s GLY 29 CO 0.46 -0.42 0.67 0.70 0.00 0.00 0.00 173.10 174.50 3i3a n ASN 30 N -3.77 -1.91 -4.04 1.64 4.13 -1.26 -3.87 115.26 106.17 3i3a n ASN 30 Ca 0.15 -0.91 -0.23 0.00 1.68 0.00 0.00 54.58 55.27 3i3a n ASN 30 Cb 0.59 -3.46 -0.16 0.00 -1.54 0.00 0.00 39.78 35.22 3i3a n ASN 30 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3i3a s VAL 31 N -3.65 1.07 -0.07 2.41 1.01 -1.26 -0.39 120.40 119.52 3i3a s VAL 31 Ca 0.25 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.78 3i3a s VAL 31 Cb -0.13 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.30 3i3a s VAL 31 CO 0.86 0.33 -0.16 -0.94 0.00 0.00 0.00 175.10 175.19 3i3a s SER 32 N 0.41 2.23 -0.09 3.32 1.04 -0.38 -0.32 113.70 119.91 3i3a s SER 32 Ca -0.09 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3i3a s SER 32 Cb -0.13 -0.99 0.02 0.00 0.10 0.00 0.00 66.02 65.02 3i3a s SER 32 CO 0.02 0.08 -0.07 -0.63 0.98 0.00 0.00 173.24 173.63 3i3a s ILE 33 N 0.51 0.86 0.70 -1.02 1.01 0.00 0.60 121.20 123.86 3i3a s ILE 33 Ca -0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3i3a s ILE 33 Cb -0.16 -0.89 0.11 0.00 0.01 0.00 0.00 42.46 41.53 3i3a s ILE 33 CO 0.05 0.33 0.97 -1.10 0.00 0.00 0.00 174.94 175.19 3i3a s GLN 34 N 1.48 1.82 0.28 2.79 -0.21 -0.55 -1.64 119.66 123.64 3i3a s GLN 34 Ca -0.00 -1.00 -0.29 0.00 0.02 0.00 0.00 55.36 54.08 3i3a s GLN 34 Cb -0.13 -2.34 -0.14 0.00 1.00 0.00 0.00 33.01 31.40 3i3a s GLN 34 CO -0.05 -1.34 1.17 -1.91 -2.12 0.00 0.00 175.29 171.05 3i3a n GLU 35 N -2.78 1.66 -0.93 2.91 2.13 -1.26 -3.26 120.64 119.11 3i3a n GLU 35 Ca 0.13 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.54 3i3a n GLU 35 Cb 0.60 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.24 3i3a n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i3a n GLY 36 N 1.34 0.84 3.72 8.31 0.00 -1.26 -1.25 105.19 116.90 3i3a n GLY 36 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3i3a n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3a s THR 37 N -3.31 4.61 -0.15 2.61 2.01 -1.20 -3.77 115.64 116.44 3i3a s THR 37 Ca 0.00 2.03 -0.01 0.00 0.31 0.00 0.00 61.69 64.03 3i3a s THR 37 Cb 0.00 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 3i3a s THR 37 CO 0.00 0.25 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.43 3i3a s ILE 38 N 0.42 3.07 -0.17 1.82 1.01 0.61 -2.04 121.20 125.91 3i3a s ILE 38 Ca 0.49 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 3i3a s ILE 38 Cb -0.23 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 3i3a s ILE 38 CO 0.29 0.51 -0.11 -0.63 0.00 0.00 0.00 174.94 175.00 3i3a s ILE 39 N 0.56 2.96 0.17 2.92 1.01 0.16 -0.98 121.20 128.00 3i3a s ILE 39 Ca -0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 3i3a s ILE 39 Cb -0.15 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.07 3i3a s ILE 39 CO 0.03 0.49 0.23 -0.62 0.00 0.00 0.00 174.94 175.07 3i3a n GLU 40 N 4.19 0.31 -1.41 2.79 1.02 -0.05 -0.30 120.64 127.20 3i3a n GLU 40 Ca -0.19 -0.55 -0.32 0.00 -0.02 0.00 0.00 57.16 56.08 3i3a n GLU 40 Cb 0.52 -0.17 0.08 0.00 -0.02 0.00 0.00 31.44 31.85 3i3a n GLU 40 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i3a s GLY 41 N -3.09 2.01 -1.79 0.62 0.00 -1.26 -3.81 107.32 99.99 3i3a s GLY 41 Ca 0.14 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.42 3i3a s GLY 41 CO 0.10 0.92 0.00 1.42 0.00 0.00 0.00 173.10 175.54 3i3a n HIS 42 N -3.02 -0.48 -3.06 1.90 8.25 -0.39 -2.15 115.22 116.27 3i3a n HIS 42 Ca 0.11 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.20 3i3a n HIS 42 Cb 0.52 -3.30 -0.06 0.00 1.12 0.00 0.00 29.99 28.27 3i3a n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i3a s VAL 43 N -2.66 4.50 -0.12 1.59 1.01 -1.25 -3.38 120.40 120.09 3i3a s VAL 43 Ca 0.00 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.43 3i3a s VAL 43 Cb 0.00 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 3i3a s VAL 43 CO 0.00 0.31 -0.18 -0.75 0.00 0.00 0.00 175.10 174.47 3i3a s LYS 44 N -1.71 3.20 -0.28 2.72 2.20 -0.52 -0.16 119.74 125.19 3i3a s LYS 44 Ca 0.41 -0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 55.23 3i3a s LYS 44 Cb -0.19 -2.49 0.05 0.00 -1.51 0.00 0.00 37.83 33.69 3i3a s LYS 44 CO 0.22 0.14 -0.04 0.42 -0.36 0.00 0.00 175.35 175.74 3i3a s ILE 45 N 0.47 2.76 0.45 5.43 -1.09 -0.12 -0.94 121.20 128.17 3i3a s ILE 45 Ca -0.13 -1.37 -0.03 0.00 -2.23 0.00 0.00 60.65 56.90 3i3a s ILE 45 Cb -0.17 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 3i3a s ILE 45 CO 0.05 -0.02 0.72 0.00 -1.23 0.00 0.00 174.94 174.46 3i3a n ALA 47 N -2.14 0.99 -0.01 0.00 0.00 -1.25 -2.27 120.51 115.82 3i3a n ALA 47 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3i3a n ALA 47 Cb 0.56 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3i3a n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3a n GLY 48 N 1.90 0.22 3.67 0.00 0.00 0.48 -4.82 105.19 106.63 3i3a n GLY 48 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3i3a n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i3a s SER 49 N -2.36 7.01 -0.39 1.61 0.01 -0.96 -1.62 113.70 116.99 3i3a s SER 49 Ca 0.00 1.64 0.03 0.00 1.31 0.00 0.00 55.95 58.93 3i3a s SER 49 Cb 0.00 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.80 3i3a s SER 49 CO 0.00 -0.69 0.13 -1.61 0.41 0.00 0.00 173.24 171.48 3i3a s GLU 50 N 3.11 1.69 -0.12 12.44 2.02 -0.01 -1.25 118.70 136.57 3i3a s GLU 50 Ca 0.52 -2.03 -0.04 0.00 0.02 0.00 0.00 54.97 53.44 3i3a s GLU 50 Cb -0.21 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 3i3a s GLU 50 CO 0.14 -1.00 0.03 0.42 0.02 0.00 0.00 175.26 174.88 3i3a s ILE 51 N 0.68 4.56 0.00 -1.63 1.01 0.20 -1.64 121.20 124.37 3i3a s ILE 51 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.63 3i3a s ILE 51 Cb -0.21 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.29 3i3a s ILE 51 CO -0.06 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3i3a n GLY 52 N 2.64 0.95 3.86 6.18 0.00 -0.05 -1.48 105.19 117.30 3i3a n GLY 52 Ca -0.18 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 3i3a n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3a s LYS 53 N 1.23 3.79 -1.42 1.61 1.02 -1.25 -3.24 119.74 121.48 3i3a s LYS 53 Ca 0.00 0.22 -0.09 0.00 0.02 0.00 0.00 55.97 56.12 3i3a s LYS 53 Cb 0.00 -3.04 0.04 0.00 -0.52 0.00 0.00 37.83 34.31 3i3a s LYS 53 CO 0.00 0.59 1.01 1.19 -0.92 0.00 0.00 175.35 177.22 3i3a n PHE 54 N 1.10 -2.43 -3.63 3.18 3.01 -0.38 -0.48 117.46 117.82 3i3a n PHE 54 Ca -0.09 0.94 -0.30 0.00 1.01 0.00 0.00 57.45 59.00 3i3a n PHE 54 Cb 0.52 -4.47 -0.04 0.00 -0.01 0.00 0.00 39.48 35.49 3i3a n PHE 54 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i3a s ASN 55 N -3.54 6.46 -0.06 4.37 0.01 -1.26 -3.09 114.94 117.82 3i3a s ASN 55 Ca 0.50 0.56 0.05 0.00 -0.71 0.00 0.00 52.86 53.25 3i3a s ASN 55 Cb -0.24 -2.08 -0.00 0.00 0.41 0.00 0.00 41.25 39.34 3i3a s ASN 55 CO 0.79 -0.01 -0.21 -0.60 -1.51 0.00 0.00 177.10 175.57 3i3a s ARG 56 N -2.95 2.26 -0.29 -0.60 3.52 0.00 -0.29 118.95 120.61 3i3a s ARG 56 Ca 0.41 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 55.29 3i3a s ARG 56 Cb -0.12 -1.87 0.07 0.00 -1.56 0.00 0.00 34.95 31.47 3i3a s ARG 56 CO 0.26 0.26 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.91 3i3a s PHE 57 N 0.09 3.40 0.79 5.12 0.40 -0.15 -0.39 117.98 127.24 3i3a s PHE 57 Ca -0.08 -2.40 -0.12 0.00 -0.60 0.00 0.00 56.93 53.73 3i3a s PHE 57 Cb -0.14 -2.25 0.07 0.00 0.51 0.00 0.00 43.02 41.20 3i3a s PHE 57 CO 0.04 -0.89 1.12 -1.01 0.70 0.00 0.00 175.22 175.18 3i3a s HIS 58 N 1.09 2.95 -0.13 0.36 3.76 0.78 -0.88 115.29 123.22 3i3a s HIS 58 Ca -0.03 1.00 -0.40 0.00 -0.15 0.00 0.00 55.06 55.48 3i3a s HIS 58 Cb -0.20 -3.22 -0.18 0.00 1.11 0.00 0.00 32.58 30.10 3i3a s HIS 58 CO -0.05 -1.69 1.44 0.94 -0.85 0.00 0.00 174.74 174.53 3i3a n GLN 59 N -3.33 0.72 -0.63 1.40 7.27 -1.26 -2.09 117.38 119.46 3i3a n GLN 59 Ca 0.07 0.26 0.00 0.00 0.07 0.00 0.00 57.00 57.40 3i3a n GLN 59 Cb 0.58 -1.86 0.00 0.00 2.41 0.00 0.00 30.24 31.37 3i3a n GLN 59 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i3a n GLY 60 N 3.02 0.94 3.77 1.69 0.00 -0.92 -1.97 105.19 111.72 3i3a n GLY 60 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3i3a n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3a n ALA 61 N -0.00 2.52 -3.62 4.61 0.00 -0.89 -3.75 120.51 119.38 3i3a n ALA 61 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 3i3a n ALA 61 Cb 0.00 -2.45 -0.17 0.00 0.00 0.00 0.00 19.45 16.83 3i3a n ALA 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i3a s VAL 62 N -0.63 1.78 -0.11 0.00 -7.23 0.01 -1.43 120.40 112.79 3i3a s VAL 62 Ca 0.58 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.94 3i3a s VAL 62 Cb -0.48 -1.59 0.02 0.00 0.56 0.00 0.00 36.38 34.89 3i3a s VAL 62 CO 0.57 0.50 -0.13 -0.63 -0.31 0.00 0.00 175.10 175.10 3i3a s ILE 63 N 0.85 1.37 -0.48 -0.62 -1.09 -0.12 -0.99 121.20 120.12 3i3a s ILE 63 Ca -0.08 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 3i3a s ILE 63 Cb -0.15 -1.28 0.00 0.00 -1.58 0.00 0.00 42.46 39.44 3i3a s ILE 63 CO -0.01 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 3i3a n GLY 64 N 4.45 0.27 3.72 6.18 0.00 0.26 -1.05 105.19 119.01 3i3a n GLY 64 Ca -0.18 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 3i3a n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i3a s VAL 65 N -2.25 2.46 0.31 1.61 -7.23 -1.14 -4.32 120.40 109.84 3i3a s VAL 65 Ca 0.00 0.15 -0.29 0.00 -1.81 0.00 0.00 61.98 60.03 3i3a s VAL 65 Cb 0.00 -2.70 -0.12 0.00 0.56 0.00 0.00 36.38 34.12 3i3a s VAL 65 CO 0.00 -0.19 1.38 0.23 -0.31 0.00 0.00 175.10 176.20 3i3a n MET 66 N -3.91 2.24 -1.60 4.82 2.81 -1.26 -2.44 117.12 117.78 3i3a n MET 66 Ca 0.06 0.79 -0.46 0.00 -1.81 0.00 0.00 57.70 56.28 3i3a n MET 66 Cb 0.56 -2.43 -0.03 0.00 -0.71 0.00 0.00 33.22 30.62 3i3a n MET 66 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3i3a n PRO 67 N 1.11 1.38 -2.67 0.03 -0.02 -1.26 -4.82 135.00 128.74 3i3a n PRO 67 Ca 0.06 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 3i3a n PRO 67 Cb 0.35 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3i3a n PRO 67 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i3a n GLN 68 N 1.39 3.26 -3.23 -0.52 6.02 -1.26 -4.83 117.38 118.21 3i3a n GLN 68 Ca 0.12 -3.47 0.02 0.00 -0.01 0.00 0.00 57.00 53.66 3i3a n GLN 68 Cb 0.29 -3.31 -0.02 0.00 1.02 0.00 0.00 30.24 28.21 3i3a n GLN 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3i3a s ASP 69 N 3.58 -1.15 0.42 1.08 3.68 -1.26 -5.02 116.67 118.00 3i3a s ASP 69 Ca 0.49 0.86 0.12 0.00 2.13 0.00 0.00 52.55 56.15 3i3a s ASP 69 Cb 0.02 2.04 0.91 0.00 -1.45 0.00 0.00 42.92 44.44 3i3a s ASP 69 CO 0.04 -0.26 1.97 -0.07 0.13 0.00 0.00 175.17 176.98 3i3a h LEU 70 N 8.03 0.12 -2.64 -1.34 3.38 -2.04 -2.61 115.31 118.20 3i3a h LEU 70 Ca -0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3i3a h LEU 70 Cb 1.15 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3i3a h LEU 70 CO 0.25 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.66 3i3a n GLY 71 N -0.99 2.27 3.70 0.83 0.00 -1.26 -4.94 105.19 104.80 3i3a n GLY 71 Ca -0.01 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 3i3a n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i3a s PHE 72 N -1.89 3.53 -0.34 1.61 5.36 -0.98 -5.02 117.98 120.24 3i3a s PHE 72 Ca 0.41 1.33 -0.29 0.00 -0.96 0.00 0.00 56.93 57.43 3i3a s PHE 72 Cb 0.27 -2.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.01 3i3a s PHE 72 CO 0.18 -0.07 1.37 1.21 -1.46 0.00 0.00 175.22 176.46 3i3a s ASN 73 N 0.99 6.50 0.00 6.13 3.84 -1.26 -4.90 114.94 126.24 3i3a s ASN 73 Ca 0.40 1.06 0.20 0.00 0.21 0.00 0.00 52.86 54.74 3i3a s ASN 73 Cb -0.18 -2.54 1.22 0.00 -0.55 0.00 0.00 41.25 39.21 3i3a s ASN 73 CO 0.18 -1.25 1.75 0.00 -2.79 0.00 0.00 177.10 174.98 3i3a n GLN 74 N 7.68 0.94 0.00 0.43 6.02 -1.26 -2.45 117.38 128.73 3i3a n GLN 74 Ca 0.16 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.26 3i3a n GLN 74 Cb 0.47 -1.34 0.04 0.00 1.02 0.00 0.00 30.24 30.43 3i3a n GLN 74 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i3a n GLN 75 N -0.84 0.37 -2.45 -1.09 1.13 -1.26 -4.92 117.38 108.32 3i3a n GLN 75 Ca 0.15 -0.28 -0.42 0.00 -1.94 0.00 0.00 57.00 54.51 3i3a n GLN 75 Cb 0.07 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 3i3a n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i3a s LEU 76 N -2.83 4.33 -1.02 1.08 1.43 -1.03 -4.95 118.68 115.70 3i3a s LEU 76 Ca 0.13 1.91 -0.23 0.00 -1.03 0.00 0.00 54.13 54.91 3i3a s LEU 76 Cb 0.17 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.88 3i3a s LEU 76 CO 0.73 -0.52 1.43 -0.22 0.23 0.00 0.00 176.35 178.01 3i3a s LEU 77 N 1.61 3.59 0.25 1.79 2.96 -1.26 -4.97 118.68 122.64 3i3a s LEU 77 Ca 0.57 -1.49 0.06 0.00 -0.22 0.00 0.00 54.13 53.06 3i3a s LEU 77 Cb -0.27 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 3i3a s LEU 77 CO 0.26 -1.48 0.27 0.42 -1.32 0.00 0.00 176.35 174.50 3i3a s THR 78 N 4.85 4.76 0.19 3.68 -4.23 -1.26 -4.71 115.64 118.93 3i3a s THR 78 Ca 0.45 -1.22 0.08 0.00 -1.18 0.00 0.00 61.69 59.82 3i3a s THR 78 Cb -0.00 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 3i3a s THR 78 CO -0.10 -0.33 -0.02 -0.54 -0.54 0.00 0.00 174.62 173.08 3i3a s LYS 79 N -3.91 2.30 -0.24 3.99 -0.14 -1.26 -4.32 119.74 116.16 3i3a s LYS 79 Ca 0.34 -1.21 0.02 0.00 -1.36 0.00 0.00 55.97 53.76 3i3a s LYS 79 Cb -0.08 -2.27 0.05 0.00 -1.68 0.00 0.00 37.83 33.85 3i3a s LYS 79 CO 0.27 0.43 -0.09 0.99 -0.76 0.00 0.00 175.35 176.18 3i3a s THR 80 N -1.84 1.86 -0.26 2.17 2.01 -0.64 -2.19 115.64 116.75 3i3a s THR 80 Ca 0.27 -1.35 -0.10 0.00 0.31 0.00 0.00 61.69 60.83 3i3a s THR 80 Cb -0.09 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3i3a s THR 80 CO 0.18 0.01 0.15 -0.69 -0.69 0.00 0.00 174.62 173.58 3i3a s VAL 81 N 1.26 5.06 -0.08 3.82 1.01 0.15 -0.83 120.40 130.79 3i3a s VAL 81 Ca -0.06 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3i3a s VAL 81 Cb -0.19 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.83 3i3a s VAL 81 CO -0.06 0.31 -0.10 -0.63 0.00 0.00 0.00 175.10 174.62 3i3a s ILE 82 N 1.45 1.03 0.00 2.22 1.01 -0.65 0.28 121.20 126.54 3i3a s ILE 82 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3i3a s ILE 82 Cb -0.15 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.33 3i3a s ILE 82 CO 0.07 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3i3a n GLY 83 N 4.29 0.29 3.72 6.18 0.00 0.08 -0.87 105.19 118.89 3i3a n GLY 83 Ca -0.19 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 3i3a n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3a s ASP 84 N -1.13 5.21 -1.47 1.61 1.01 -1.23 -2.90 116.67 117.77 3i3a s ASP 84 Ca 0.00 -0.14 -0.11 0.00 0.71 0.00 0.00 52.55 53.01 3i3a s ASP 84 Cb 0.00 -1.29 0.06 0.00 1.01 0.00 0.00 42.92 42.70 3i3a s ASP 84 CO 0.00 0.15 0.85 1.41 0.21 0.00 0.00 175.17 177.80 3i3a n HIS 85 N 0.36 -2.23 -3.41 4.23 8.25 0.37 -0.78 115.22 122.01 3i3a n HIS 85 Ca -0.10 0.77 -0.29 0.00 -0.26 0.00 0.00 57.72 57.85 3i3a n HIS 85 Cb 0.52 -4.00 -0.03 0.00 1.12 0.00 0.00 29.99 27.60 3i3a n HIS 85 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3i3a s ASN 86 N -3.09 6.44 -0.14 0.41 0.01 -1.26 -3.14 114.94 114.18 3i3a s ASN 86 Ca 0.55 0.66 0.01 0.00 -0.71 0.00 0.00 52.86 53.37 3i3a s ASN 86 Cb -0.27 -2.12 0.02 0.00 0.41 0.00 0.00 41.25 39.29 3i3a s ASN 86 CO 0.68 -0.16 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.32 3i3a s ILE 87 N -2.02 1.63 -0.32 0.60 1.01 -0.21 -0.82 121.20 121.07 3i3a s ILE 87 Ca 0.43 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 3i3a s ILE 87 Cb -0.11 -1.50 0.05 0.00 0.01 0.00 0.00 42.46 40.91 3i3a s ILE 87 CO 0.29 0.47 0.05 -0.36 0.00 0.00 0.00 174.94 175.39 3i3a s PHE 88 N 1.25 3.28 1.04 3.97 0.40 0.48 0.02 117.98 128.42 3i3a s PHE 88 Ca 0.00 -1.75 -0.18 0.00 -0.60 0.00 0.00 56.93 54.41 3i3a s PHE 88 Cb -0.14 -2.25 0.24 0.00 0.51 0.00 0.00 43.02 41.39 3i3a s PHE 88 CO -0.07 -0.79 1.26 0.54 0.70 0.00 0.00 175.22 176.86 3i3a n ARG 89 N 4.69 -1.77 -1.66 0.44 5.12 0.53 -0.16 116.66 123.85 3i3a n ARG 89 Ca -0.12 -1.96 -0.47 0.00 -1.93 0.00 0.00 57.85 53.37 3i3a n ARG 89 Cb 0.44 -1.43 -0.05 0.00 -1.16 0.00 0.00 32.46 30.26 3i3a n ARG 89 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3i3a n GLU 90 N -4.06 1.98 -2.05 5.56 4.71 -1.26 -1.65 120.64 123.87 3i3a n GLU 90 Ca 0.16 0.72 -0.15 0.00 -0.01 0.00 0.00 57.16 57.87 3i3a n GLU 90 Cb 0.58 -2.47 -0.03 0.00 -1.01 0.00 0.00 31.44 28.50 3i3a n GLU 90 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3i3a n TYR 91 N 3.53 -0.88 -2.10 -0.32 4.02 -0.83 -1.20 117.16 119.38 3i3a n TYR 91 Ca 0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.74 3i3a n TYR 91 Cb 0.27 -3.06 0.01 0.00 -0.02 0.00 0.00 39.34 36.54 3i3a n TYR 91 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3a s SER 92 N -2.14 5.76 -0.20 7.72 1.04 -0.66 -3.52 113.70 121.70 3i3a s SER 92 Ca 0.00 1.89 -0.04 0.00 0.48 0.00 0.00 55.95 58.28 3i3a s SER 92 Cb 0.00 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.64 3i3a s SER 92 CO 0.00 -1.18 0.09 0.21 0.98 0.00 0.00 173.24 173.33 3i3a s ASN 93 N -2.54 2.72 -0.18 7.02 3.84 -0.16 -0.81 114.94 124.83 3i3a s ASN 93 Ca 0.65 -0.80 -0.01 0.00 0.21 0.00 0.00 52.86 52.91 3i3a s ASN 93 Cb -0.17 -0.36 0.00 0.00 -0.55 0.00 0.00 41.25 40.17 3i3a s ASN 93 CO 0.34 -0.36 -0.13 -0.63 -2.79 0.00 0.00 177.10 173.54 3i3a s ILE 94 N 2.05 2.75 0.19 -5.21 -1.09 -0.17 -0.69 121.20 119.04 3i3a s ILE 94 Ca 0.03 -0.72 -0.04 0.00 -2.23 0.00 0.00 60.65 57.69 3i3a s ILE 94 Cb -0.16 -2.20 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 3i3a s ILE 94 CO -0.14 0.49 0.43 -1.00 -1.23 0.00 0.00 174.94 173.49 3i3a s HIS 95 N 1.16 3.47 0.85 3.97 3.76 -0.34 0.91 115.29 129.07 3i3a s HIS 95 Ca 0.01 0.56 -0.12 0.00 -0.15 0.00 0.00 55.06 55.36 3i3a s HIS 95 Cb -0.14 -2.02 0.13 0.00 1.11 0.00 0.00 32.58 31.66 3i3a s HIS 95 CO -0.05 0.36 1.20 -1.59 -0.85 0.00 0.00 174.74 173.82 3i3a s LYS 96 N -2.97 1.41 0.94 1.40 -2.85 -1.02 -4.50 119.74 112.16 3i3a s LYS 96 Ca 0.42 -0.25 -0.14 0.00 -1.00 0.00 0.00 55.97 55.00 3i3a s LYS 96 Cb -0.12 -1.96 0.16 0.00 -2.06 0.00 0.00 37.83 33.85 3i3a s LYS 96 CO 0.26 -1.89 1.18 0.20 0.10 0.00 0.00 175.35 175.20 3i3a s GLY 97 N -4.72 1.62 -0.03 0.59 0.00 -0.93 -3.92 107.32 99.94 3i3a s GLY 97 Ca 0.67 -0.74 0.20 0.00 0.00 0.00 0.00 44.72 44.85 3i3a s GLY 97 CO 0.50 -0.11 0.44 -1.30 0.00 0.00 0.00 173.10 172.63 3i3a n THR 98 N -3.82 0.00 -4.31 0.90 -2.24 -1.18 -4.70 114.28 98.94 3i3a n THR 98 Ca 0.09 -0.44 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 3i3a n THR 98 Cb 0.60 0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.80 3i3a n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i3a s LYS 99 N -3.34 1.22 0.52 -0.78 1.02 -1.25 -4.85 119.74 112.29 3i3a s LYS 99 Ca -0.07 -1.49 0.27 0.00 0.02 0.00 0.00 55.97 54.70 3i3a s LYS 99 Cb 0.12 -1.00 1.44 0.00 -0.52 0.00 0.00 37.83 37.87 3i3a s LYS 99 CO 0.81 0.17 2.07 0.93 -0.92 0.00 0.00 175.35 178.41 3i3a h GLU 100 N 2.82 0.00 -0.65 1.68 5.08 -1.94 -0.21 114.58 121.37 3i3a h GLU 100 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3i3a h GLU 100 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3i3a h GLU 100 CO 0.59 0.12 0.00 -0.40 -1.00 0.00 0.00 179.01 178.32 3i3a n ASP 101 N -3.68 4.11 -3.41 1.42 5.68 -1.26 -4.72 116.55 114.68 3i3a n ASP 101 Ca -0.02 -2.29 -0.26 0.00 -0.50 0.00 0.00 54.79 51.72 3i3a n ASP 101 Cb 0.23 -0.52 -0.09 0.00 -1.14 0.00 0.00 41.12 39.60 3i3a n ASP 101 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3i3a n SER 102 N 1.13 0.39 -4.86 -1.12 2.88 -0.09 -5.13 113.62 106.82 3i3a n SER 102 Ca 0.23 -2.63 -0.29 0.00 -1.33 0.00 0.00 58.87 54.85 3i3a n SER 102 Cb 0.74 -0.61 0.09 0.00 -0.75 0.00 0.00 64.21 63.68 3i3a n SER 102 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3i3a s PRO 103 N -0.60 2.02 -0.03 -1.46 0.04 -1.26 -3.09 135.00 130.62 3i3a s PRO 103 Ca 0.33 0.31 -0.26 0.00 0.04 0.00 0.00 61.00 61.41 3i3a s PRO 103 Cb 0.07 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 3i3a s PRO 103 CO -0.16 -1.60 0.82 0.99 0.04 0.00 0.00 177.00 177.09 3i3a s THR 104 N -3.40 4.95 -0.09 1.26 2.01 -0.94 -4.44 115.64 114.99 3i3a s THR 104 Ca 0.61 1.71 0.02 0.00 0.31 0.00 0.00 61.69 64.34 3i3a s THR 104 Cb -0.12 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.24 3i3a s THR 104 CO 0.51 0.23 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.83 3i3a s VAL 105 N 0.81 1.41 -0.06 3.82 1.01 -0.26 0.29 120.40 127.41 3i3a s VAL 105 Ca 0.43 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3i3a s VAL 105 Cb -0.19 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.92 3i3a s VAL 105 CO 0.22 0.42 -0.17 -0.63 0.00 0.00 0.00 175.10 174.94 3i3a s ILE 106 N 0.74 1.49 0.00 2.22 1.01 0.14 -0.62 121.20 126.19 3i3a s ILE 106 Ca -0.12 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3i3a s ILE 106 Cb -0.16 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3i3a s ILE 106 CO 0.03 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3i3a n GLY 107 N 3.45 0.84 3.48 6.18 0.00 -0.82 -0.74 105.19 117.57 3i3a n GLY 107 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 3i3a n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3a s ASN 108 N -1.00 3.73 -1.45 1.61 0.01 -1.23 -1.91 114.94 114.70 3i3a s ASN 108 Ca 0.00 -0.79 -0.05 0.00 -0.71 0.00 0.00 52.86 51.31 3i3a s ASN 108 Cb 0.00 -0.42 0.02 0.00 0.41 0.00 0.00 41.25 41.26 3i3a s ASN 108 CO 0.00 0.10 0.43 0.29 -1.51 0.00 0.00 177.10 176.41 3i3a n LYS 109 N 0.08 -3.78 -3.51 -0.60 5.02 0.04 -0.87 118.16 114.54 3i3a n LYS 109 Ca -0.11 0.76 -0.32 0.00 -2.02 0.00 0.00 58.31 56.63 3i3a n LYS 109 Cb 0.56 -5.53 -0.05 0.00 -0.02 0.00 0.00 35.03 29.99 3i3a n LYS 109 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3i3a s ASN 110 N -2.55 6.58 -0.16 4.39 0.01 -1.26 -3.21 114.94 118.75 3i3a s ASN 110 Ca 0.26 0.80 0.00 0.00 -0.71 0.00 0.00 52.86 53.21 3i3a s ASN 110 Cb -0.12 -2.18 0.03 0.00 0.41 0.00 0.00 41.25 39.39 3i3a s ASN 110 CO 0.32 -0.02 -0.11 -0.47 -1.51 0.00 0.00 177.10 175.30 3i3a s TYR 111 N -1.75 2.10 -0.31 2.20 6.14 -0.25 -1.04 117.35 124.44 3i3a s TYR 111 Ca 0.45 -1.25 -0.05 0.00 0.64 0.00 0.00 57.07 56.85 3i3a s TYR 111 Cb -0.12 -1.53 0.03 0.00 0.42 0.00 0.00 41.96 40.77 3i3a s TYR 111 CO 0.22 -0.67 0.06 -0.06 0.64 0.00 0.00 175.55 175.75 3i3a s PHE 112 N 1.51 3.21 0.92 4.97 0.40 0.10 -1.14 117.98 127.95 3i3a s PHE 112 Ca 0.03 -1.43 -0.12 0.00 -0.60 0.00 0.00 56.93 54.80 3i3a s PHE 112 Cb -0.14 -2.21 0.14 0.00 0.51 0.00 0.00 43.02 41.32 3i3a s PHE 112 CO -0.09 -0.71 1.14 -1.64 0.70 0.00 0.00 175.22 174.62 3i3a s MET 113 N 1.39 1.09 0.16 0.44 -1.94 0.15 -0.35 119.30 120.23 3i3a s MET 113 Ca -0.01 0.27 -0.33 0.00 -1.71 0.00 0.00 55.69 53.90 3i3a s MET 113 Cb -0.19 -1.84 -0.16 0.00 2.01 0.00 0.00 34.83 34.66 3i3a s MET 113 CO 0.01 -2.23 1.14 0.41 -0.01 0.00 0.00 175.02 174.35 3i3a n GLY 114 N -2.22 -0.02 2.74 -0.03 0.00 -1.26 -1.94 105.19 102.45 3i3a n GLY 114 Ca 0.07 0.55 -0.07 0.00 0.00 0.00 0.00 46.02 46.57 3i3a n GLY 114 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i3a n ASN 115 N 2.01 -5.44 -4.82 1.61 3.02 -0.34 -1.77 115.26 109.52 3i3a n ASN 115 Ca 0.16 0.17 -0.32 0.00 -0.03 0.00 0.00 54.58 54.56 3i3a n ASN 115 Cb 0.23 -3.55 0.01 0.00 -0.61 0.00 0.00 39.78 35.86 3i3a n ASN 115 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i3a s SER 116 N -2.31 5.94 -0.04 6.41 1.04 -0.82 -4.05 113.70 119.87 3i3a s SER 116 Ca 0.00 1.69 0.02 0.00 0.48 0.00 0.00 55.95 58.14 3i3a s SER 116 Cb 0.00 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.61 3i3a s SER 116 CO 0.00 -1.06 -0.09 -2.28 0.98 0.00 0.00 173.24 170.79 3i3a s HIS 117 N -2.67 1.04 -0.25 5.02 5.04 -0.45 -0.99 115.29 122.03 3i3a s HIS 117 Ca 0.61 -0.30 0.01 0.00 -1.54 0.00 0.00 55.06 53.84 3i3a s HIS 117 Cb -0.14 -0.77 0.04 0.00 0.04 0.00 0.00 32.58 31.76 3i3a s HIS 117 CO 0.40 -0.15 -0.09 0.08 -2.34 0.00 0.00 174.74 172.64 3i3a s VAL 118 N 0.42 2.45 0.93 0.89 1.01 0.14 -1.58 120.40 124.65 3i3a s VAL 118 Ca -0.07 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.43 3i3a s VAL 118 Cb -0.11 -2.33 0.15 0.00 0.00 0.00 0.00 36.38 34.08 3i3a s VAL 118 CO 0.01 0.09 1.10 -0.83 0.00 0.00 0.00 175.10 175.47 3i3a s GLY 119 N 1.20 1.60 0.27 4.51 0.00 -0.53 -1.20 107.32 113.17 3i3a s GLY 119 Ca -0.04 -0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.17 3i3a s GLY 119 CO -0.05 0.32 1.23 -2.39 0.00 0.00 0.00 173.10 172.21 3i3a n HIS 120 N -3.95 1.81 -1.25 1.90 1.44 -1.26 -2.88 115.22 111.03 3i3a n HIS 120 Ca 0.06 0.57 -0.09 0.00 -2.01 0.00 0.00 57.72 56.26 3i3a n HIS 120 Cb 0.56 -2.36 -0.04 0.00 0.12 0.00 0.00 29.99 28.27 3i3a n HIS 120 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i3a n ASP 121 N 1.55 -4.38 -4.77 4.39 8.00 -1.25 -1.03 116.55 119.05 3i3a n ASP 121 Ca 0.10 0.21 -0.35 0.00 0.71 0.00 0.00 54.79 55.46 3i3a n ASP 121 Cb 0.32 -2.64 0.01 0.00 -0.02 0.00 0.00 41.12 38.78 3i3a n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3a s ILE 123 N -1.82 1.39 -0.02 0.00 -1.09 -0.81 -1.10 121.20 117.75 3i3a s ILE 123 Ca 0.72 -0.54 0.07 0.00 -2.23 0.00 0.00 60.65 58.67 3i3a s ILE 123 Cb -0.24 -1.35 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 3i3a s ILE 123 CO 0.28 0.41 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.42 3i3a s LEU 124 N 1.56 2.04 0.00 2.97 1.02 0.21 -0.53 118.68 125.95 3i3a s LEU 124 Ca 0.05 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.79 3i3a s LEU 124 Cb -0.13 -1.15 0.00 0.00 0.02 0.00 0.00 46.19 44.93 3i3a s LEU 124 CO -0.10 0.27 0.00 0.61 0.02 0.00 0.00 176.35 177.15 3i3a n GLY 125 N 2.58 0.77 3.43 -3.19 0.00 -0.83 -1.95 105.19 106.01 3i3a n GLY 125 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3i3a n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3a s ASN 126 N -1.00 3.54 -1.41 1.61 0.01 -1.21 -2.00 114.94 114.49 3i3a s ASN 126 Ca 0.00 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 51.42 3i3a s ASN 126 Cb 0.00 -0.34 0.00 0.00 0.41 0.00 0.00 41.25 41.32 3i3a s ASN 126 CO 0.00 0.16 0.00 0.59 -1.51 0.00 0.00 177.10 176.34 3i3a n ASN 127 N 0.62 -4.60 -4.88 -1.22 3.02 -0.05 -1.30 115.26 106.85 3i3a n ASN 127 Ca -0.15 0.21 -0.31 0.00 -0.03 0.00 0.00 54.58 54.29 3i3a n ASN 127 Cb 0.54 -3.53 -0.05 0.00 -0.61 0.00 0.00 39.78 36.13 3i3a n ASN 127 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i3a s ASN 128 N -2.65 6.60 -0.12 6.41 0.01 -1.26 -3.63 114.94 120.31 3i3a s ASN 128 Ca 0.00 0.99 0.02 0.00 -0.71 0.00 0.00 52.86 53.16 3i3a s ASN 128 Cb 0.00 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.42 3i3a s ASN 128 CO 0.00 -0.18 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.59 3i3a s ILE 129 N -2.00 1.79 -0.39 0.60 1.01 -0.08 -1.09 121.20 121.04 3i3a s ILE 129 Ca 0.49 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 3i3a s ILE 129 Cb -0.11 -1.59 0.08 0.00 0.01 0.00 0.00 42.46 40.85 3i3a s ILE 129 CO 0.24 0.50 0.20 -0.22 0.00 0.00 0.00 174.94 175.65 3i3a s LEU 130 N 0.81 4.95 0.88 2.97 2.96 -0.29 -0.70 118.68 130.26 3i3a s LEU 130 Ca -0.09 -1.62 -0.12 0.00 -0.22 0.00 0.00 54.13 52.08 3i3a s LEU 130 Cb -0.16 -1.89 0.12 0.00 0.50 0.00 0.00 46.19 44.76 3i3a s LEU 130 CO -0.00 -0.49 1.12 -0.89 -1.32 0.00 0.00 176.35 174.77 3i3a s THR 131 N 1.31 2.42 -0.16 3.68 2.01 0.14 -0.68 115.64 124.36 3i3a s THR 131 Ca 0.03 0.14 -0.40 0.00 0.31 0.00 0.00 61.69 61.77 3i3a s THR 131 Cb -0.22 -2.85 -0.17 0.00 0.01 0.00 0.00 72.50 69.26 3i3a s THR 131 CO -0.00 -0.18 1.52 1.57 -0.69 0.00 0.00 174.62 176.84 3i3a n HIS 132 N -3.68 1.68 -0.94 4.92 -0.00 -1.26 -1.96 115.22 113.98 3i3a n HIS 132 Ca 0.07 0.72 0.00 0.00 0.46 0.00 0.00 57.72 58.96 3i3a n HIS 132 Cb 0.58 -2.34 0.00 0.00 -0.12 0.00 0.00 29.99 28.10 3i3a n HIS 132 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i3a n GLY 133 N 3.33 0.45 3.77 1.57 0.00 -0.73 -1.80 105.19 111.78 3i3a n GLY 133 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 3i3a n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3a s ALA 134 N -2.13 3.21 -0.14 4.61 0.00 -0.83 -4.03 121.76 122.46 3i3a s ALA 134 Ca 0.00 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3i3a s ALA 134 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.84 3i3a s ALA 134 CO 0.00 -0.19 -0.21 0.14 0.00 0.00 0.00 175.76 175.51 3i3a s VAL 135 N -1.46 1.96 -0.25 0.00 -7.23 0.98 -1.34 120.40 113.06 3i3a s VAL 135 Ca 0.52 -0.92 -0.10 0.00 -1.81 0.00 0.00 61.98 59.67 3i3a s VAL 135 Cb -0.26 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 3i3a s VAL 135 CO 0.33 0.53 0.16 -0.76 -0.31 0.00 0.00 175.10 175.05 3i3a s LEU 136 N 0.88 4.08 1.24 1.32 1.43 -0.62 -1.39 118.68 125.62 3i3a s LEU 136 Ca -0.06 0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 52.94 3i3a s LEU 136 Cb -0.15 -2.10 0.30 0.00 0.03 0.00 0.00 46.19 44.26 3i3a s LEU 136 CO -0.03 0.05 1.04 0.00 0.23 0.00 0.00 176.35 177.64 3i3a s ALA 137 N 1.18 0.03 0.72 4.21 0.00 -0.48 -1.45 121.76 125.97 3i3a s ALA 137 Ca 0.07 -0.69 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 3i3a s ALA 137 Cb -0.14 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 20.02 3i3a s ALA 137 CO 0.06 -3.85 1.21 0.20 0.00 0.00 0.00 175.76 173.37 3i3a s GLY 138 N -3.36 2.36 -1.45 0.00 0.00 -1.26 -3.41 107.32 100.19 3i3a s GLY 138 Ca 0.69 0.88 -0.08 0.00 0.00 0.00 0.00 44.72 46.21 3i3a s GLY 138 CO 0.58 1.28 0.66 1.42 0.00 0.00 0.00 173.10 177.05 3i3a n HIS 139 N -2.67 -2.03 -3.52 1.90 8.25 -0.19 -3.71 115.22 113.23 3i3a n HIS 139 Ca 0.13 0.59 -0.36 0.00 -0.26 0.00 0.00 57.72 57.82 3i3a n HIS 139 Cb 0.50 -4.01 -0.06 0.00 1.12 0.00 0.00 29.99 27.55 3i3a n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i3a s VAL 140 N -3.13 5.04 -0.12 1.59 1.01 -1.22 -0.72 120.40 122.85 3i3a s VAL 140 Ca 0.40 0.68 0.02 0.00 0.00 0.00 0.00 61.98 63.08 3i3a s VAL 140 Cb -0.19 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3i3a s VAL 140 CO 0.49 0.43 -0.19 -0.89 0.00 0.00 0.00 175.10 174.95 3i3a s THR 141 N -1.24 1.78 -0.02 3.92 2.01 -0.69 -1.93 115.64 119.47 3i3a s THR 141 Ca 0.29 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.52 3i3a s THR 141 Cb -0.15 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 3i3a s THR 141 CO 0.16 0.49 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.68 3i3a s LEU 142 N 0.91 2.77 0.00 4.42 1.02 0.31 -0.11 118.68 127.99 3i3a s LEU 142 Ca -0.07 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 53.83 3i3a s LEU 142 Cb -0.15 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.47 3i3a s LEU 142 CO -0.02 0.31 0.00 0.61 0.02 0.00 0.00 176.35 177.27 3i3a n GLY 143 N 1.99 0.71 3.33 -3.19 0.00 -0.90 -1.96 105.19 105.17 3i3a n GLY 143 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3i3a n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3a s ASN 144 N -1.00 3.03 -1.53 1.61 0.01 -1.26 -2.01 114.94 113.79 3i3a s ASN 144 Ca 0.00 -0.61 -0.05 0.00 -0.71 0.00 0.00 52.86 51.49 3i3a s ASN 144 Cb 0.00 -0.26 0.01 0.00 0.41 0.00 0.00 41.25 41.42 3i3a s ASN 144 CO 0.00 0.22 0.52 0.49 -1.51 0.00 0.00 177.10 176.82 3i3a n PHE 145 N 1.62 -1.85 -3.07 2.20 3.72 -0.42 -1.11 117.46 118.55 3i3a n PHE 145 Ca -0.17 0.45 -0.37 0.00 -0.05 0.00 0.00 57.45 57.32 3i3a n PHE 145 Cb 0.52 -4.18 -0.06 0.00 -0.94 0.00 0.00 39.48 34.82 3i3a n PHE 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3a s ALA 146 N -3.12 3.41 -0.26 4.37 0.00 -1.26 -3.12 121.76 121.79 3i3a s ALA 146 Ca 0.28 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 3i3a s ALA 146 Cb -0.13 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.17 3i3a s ALA 146 CO 0.35 0.32 -0.05 0.12 0.00 0.00 0.00 175.76 176.50 3i3a s PHE 147 N -1.47 3.11 -0.26 0.00 5.36 0.14 -0.90 117.98 123.96 3i3a s PHE 147 Ca 0.42 -1.64 -0.08 0.00 -0.96 0.00 0.00 56.93 54.67 3i3a s PHE 147 Cb -0.18 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 3i3a s PHE 147 CO 0.22 -0.75 0.09 0.42 -1.46 0.00 0.00 175.22 173.74 3i3a s ILE 148 N 1.30 4.51 0.49 3.12 -1.09 0.12 -0.55 121.20 129.11 3i3a s ILE 148 Ca -0.01 -0.11 -0.08 0.00 -2.23 0.00 0.00 60.65 58.23 3i3a s ILE 148 Cb -0.17 -3.12 0.11 0.00 -1.58 0.00 0.00 42.46 37.69 3i3a s ILE 148 CO -0.04 0.32 0.66 -0.24 -1.23 0.00 0.00 174.94 174.41 3i3a n SER 149 N 4.95 0.13 -4.77 3.58 2.88 0.01 -0.68 113.62 119.72 3i3a n SER 149 Ca -0.16 -1.29 -0.39 0.00 -1.33 0.00 0.00 58.87 55.70 3i3a n SER 149 Cb 0.51 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 3i3a n SER 149 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3i3a s GLY 150 N -4.40 2.91 -1.28 0.46 0.00 -1.26 -3.55 107.32 100.19 3i3a s GLY 150 Ca 0.38 1.27 -0.00 0.00 0.00 0.00 0.00 44.72 46.37 3i3a s GLY 150 CO 0.27 1.85 0.04 1.04 0.00 0.00 0.00 173.10 176.29 3i3a n LEU 151 N -0.08 -1.43 -4.76 0.66 4.77 -0.75 -1.05 117.00 114.36 3i3a n LEU 151 Ca 0.05 0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.73 3i3a n LEU 151 Cb 0.44 -2.40 -0.06 0.00 -2.33 0.00 0.00 43.42 39.07 3i3a n LEU 151 CO 0.56 -0.13 0.56 -0.69 -1.33 0.00 0.00 177.39 176.35 3i3a s VAL 152 N -2.76 4.28 -0.17 4.08 1.01 -1.23 -3.85 120.40 121.74 3i3a s VAL 152 Ca 0.02 1.87 -0.03 0.00 0.00 0.00 0.00 61.98 63.85 3i3a s VAL 152 Cb -0.01 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 3i3a s VAL 152 CO 0.03 0.49 -0.06 0.00 0.00 0.00 0.00 175.10 175.56 3i3a s ALA 153 N -1.04 2.83 -0.18 5.51 0.00 -0.89 -0.01 121.76 127.98 3i3a s ALA 153 Ca 0.39 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 3i3a s ALA 153 Cb -0.24 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 3i3a s ALA 153 CO 0.29 -0.02 -0.09 0.08 0.00 0.00 0.00 175.76 176.01 3i3a s VAL 154 N 0.79 3.17 0.60 0.00 1.01 -0.49 -0.75 120.40 124.72 3i3a s VAL 154 Ca -0.02 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 3i3a s VAL 154 Cb -0.15 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3i3a s VAL 154 CO 0.02 0.47 1.19 -2.28 0.00 0.00 0.00 175.10 174.50 3i3a s HIS 155 N 1.02 2.42 0.59 5.22 2.46 -0.27 -1.38 115.29 125.35 3i3a s HIS 155 Ca -0.00 1.53 -0.20 0.00 0.47 0.00 0.00 55.06 56.85 3i3a s HIS 155 Cb -0.15 -3.43 -0.03 0.00 -0.13 0.00 0.00 32.58 28.84 3i3a s HIS 155 CO -0.01 -2.11 1.33 1.14 -2.47 0.00 0.00 174.74 172.62 3i3a s GLN 156 N -3.40 2.91 -0.04 2.88 0.00 -1.26 -3.13 119.66 117.62 3i3a s GLN 156 Ca 0.76 2.15 0.00 0.00 -0.00 0.00 0.00 55.36 58.27 3i3a s GLN 156 Cb -0.29 -2.08 0.00 0.00 0.00 0.00 0.00 33.01 30.64 3i3a s GLN 156 CO 0.33 -1.34 0.00 1.19 0.00 0.00 0.00 175.29 175.47 3i3a n PHE 157 N -1.39 0.00 -3.09 9.60 3.72 0.10 -4.96 117.46 121.45 3i3a n PHE 157 Ca 0.13 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.20 3i3a n PHE 157 Cb 0.46 -0.82 -0.06 0.00 -0.94 0.00 0.00 39.48 38.12 3i3a n PHE 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3a s PHE 159 N -2.02 2.65 -0.21 0.00 0.40 -1.26 -1.70 117.98 115.84 3i3a s PHE 159 Ca 0.55 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.70 3i3a s PHE 159 Cb -0.10 -1.55 0.04 0.00 0.51 0.00 0.00 43.02 41.92 3i3a s PHE 159 CO 0.17 0.23 -0.13 0.08 0.70 0.00 0.00 175.22 176.28 3i3a s VAL 160 N -0.85 1.87 0.95 -0.44 1.01 0.84 -1.30 120.40 122.49 3i3a s VAL 160 Ca 0.14 -1.15 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 3i3a s VAL 160 Cb -0.11 -1.89 0.16 0.00 0.00 0.00 0.00 36.38 34.55 3i3a s VAL 160 CO 0.04 0.21 1.13 -0.83 0.00 0.00 0.00 175.10 175.64 3i3a s GLY 161 N 1.30 1.57 0.44 4.51 0.00 0.12 -2.12 107.32 113.14 3i3a s GLY 161 Ca -0.02 -0.51 -0.25 0.00 0.00 0.00 0.00 44.72 43.95 3i3a s GLY 161 CO -0.08 0.09 1.23 1.22 0.00 0.00 0.00 173.10 175.55 3i3a n ASP 162 N -3.94 2.31 -2.22 1.64 8.00 -1.26 -3.14 116.55 117.94 3i3a n ASP 162 Ca 0.06 1.08 -0.18 0.00 0.71 0.00 0.00 54.79 56.46 3i3a n ASP 162 Cb 0.59 -1.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.18 3i3a n ASP 162 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i3a n TYR 163 N -0.36 -0.90 -2.80 1.24 4.02 -0.27 -0.93 117.16 117.16 3i3a n TYR 163 Ca 0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.73 3i3a n TYR 163 Cb 0.40 -3.53 0.02 0.00 -0.02 0.00 0.00 39.34 36.21 3i3a n TYR 163 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3a s SER 164 N -2.16 5.65 -0.04 7.72 1.04 -1.19 -3.57 113.70 121.16 3i3a s SER 164 Ca 0.00 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.74 3i3a s SER 164 Cb 0.00 -1.41 0.02 0.00 0.10 0.00 0.00 66.02 64.73 3i3a s SER 164 CO 0.00 -0.87 -0.06 -0.32 0.98 0.00 0.00 173.24 172.96 3i3a s MET 165 N -4.68 0.94 -0.25 4.02 0.00 0.10 -0.68 119.30 118.74 3i3a s MET 165 Ca 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 55.69 56.02 3i3a s MET 165 Cb -0.10 -0.89 0.03 0.00 0.00 0.00 0.00 34.83 33.87 3i3a s MET 165 CO 0.39 -0.03 -0.07 0.08 0.00 0.00 0.00 175.02 175.39 3i3a s VAL 166 N 0.74 2.76 0.89 10.11 1.01 0.29 -0.94 120.40 135.26 3i3a s VAL 166 Ca -0.11 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 3i3a s VAL 166 Cb -0.14 -2.44 0.12 0.00 0.00 0.00 0.00 36.38 33.93 3i3a s VAL 166 CO 0.01 0.16 1.09 0.00 0.00 0.00 0.00 175.10 176.36 3i3a s ALA 167 N 1.29 1.57 0.31 5.51 0.00 -0.19 -0.81 121.76 129.43 3i3a s ALA 167 Ca -0.01 0.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.71 3i3a s ALA 167 Cb -0.17 -3.23 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 3i3a s ALA 167 CO -0.05 -2.35 1.19 0.41 0.00 0.00 0.00 175.76 174.96 3i3a n GLY 168 N -0.94 0.27 2.65 0.00 0.00 -1.26 -2.65 105.19 103.25 3i3a n GLY 168 Ca 0.08 0.34 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 3i3a n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i3a n LEU 169 N 1.11 0.01 -4.76 0.99 4.77 -0.22 -4.78 117.00 114.12 3i3a n LEU 169 Ca 0.07 0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 55.81 3i3a n LEU 169 Cb 0.34 -2.14 -0.04 0.00 -2.33 0.00 0.00 43.42 39.25 3i3a n LEU 169 CO 0.61 -0.80 0.82 0.00 -1.33 0.00 0.00 177.39 176.69 3i3a s ALA 170 N -1.77 3.35 -0.42 -1.18 0.00 -1.09 -4.76 121.76 115.90 3i3a s ALA 170 Ca 0.00 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 52.80 3i3a s ALA 170 Cb 0.00 -3.35 0.08 0.00 0.00 0.00 0.00 23.12 19.85 3i3a s ALA 170 CO 0.00 -0.28 0.26 0.21 0.00 0.00 0.00 175.76 175.95 3i3a s LYS 171 N -1.73 2.62 -0.24 0.00 2.20 -0.91 -2.09 119.74 119.60 3i3a s LYS 171 Ca 0.48 -1.44 -0.14 0.00 -0.36 0.00 0.00 55.97 54.51 3i3a s LYS 171 Cb -0.32 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 3i3a s LYS 171 CO 0.41 -0.94 0.34 0.08 -0.36 0.00 0.00 175.35 174.87 3i3a s VAL 172 N 1.44 5.22 -0.04 4.02 1.01 0.07 -3.92 120.40 128.20 3i3a s VAL 172 Ca 0.03 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.55 3i3a s VAL 172 Cb -0.23 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 3i3a s VAL 172 CO 0.02 0.23 0.08 1.33 0.00 0.00 0.00 175.10 176.76 3i3a n VAL 173 N 4.69 0.00 -4.18 2.92 0.24 -1.26 -1.11 118.33 119.63 3i3a n VAL 173 Ca -0.10 -0.49 -0.15 0.00 -2.04 0.00 0.00 64.34 61.57 3i3a n VAL 173 Cb 0.51 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 3i3a n VAL 173 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3i3a s GLN 174 N -0.96 1.58 0.55 7.34 -0.21 -1.26 -4.92 119.66 121.78 3i3a s GLN 174 Ca 0.00 -1.74 -0.21 0.00 0.02 0.00 0.00 55.36 53.43 3i3a s GLN 174 Cb 0.01 0.35 -0.05 0.00 1.00 0.00 0.00 33.01 34.32 3i3a s GLN 174 CO 0.03 -0.60 1.33 -0.51 -2.12 0.00 0.00 175.29 173.42 3i3a s ASP 175 N -3.23 5.26 -0.39 5.90 1.01 0.33 -4.48 116.67 121.07 3i3a s ASP 175 Ca 0.36 2.70 -0.14 0.00 0.71 0.00 0.00 52.55 56.17 3i3a s ASP 175 Cb 0.03 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.34 3i3a s ASP 175 CO 0.18 -1.57 0.28 -0.69 0.21 0.00 0.00 175.17 173.58 3i3a s VAL 176 N -1.34 5.22 0.66 -1.27 1.01 -0.42 -0.87 120.40 123.39 3i3a s VAL 176 Ca 0.72 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 3i3a s VAL 176 Cb -0.39 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3i3a s VAL 176 CO 0.45 -0.24 1.11 -2.16 0.00 0.00 0.00 175.10 174.26 3i3a s PRO 177 N 1.68 2.78 0.57 2.72 0.04 -1.26 -0.71 135.00 140.83 3i3a s PRO 177 Ca 0.05 1.38 -0.21 0.00 0.04 0.00 0.00 61.00 62.26 3i3a s PRO 177 Cb -0.19 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3i3a s PRO 177 CO 0.10 -1.26 1.31 -1.25 0.04 0.00 0.00 177.00 175.94 3i3a s PRO 178 N -4.14 3.01 0.00 0.56 0.04 -1.26 -3.01 135.00 130.20 3i3a s PRO 178 Ca 0.67 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.82 3i3a s PRO 178 Cb -0.20 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3i3a s PRO 178 CO 0.42 -1.25 0.00 0.66 0.04 0.00 0.00 177.00 176.87 3i3a n TYR 179 N -1.28 0.00 -4.17 0.56 4.01 -0.11 -4.92 117.16 111.25 3i3a n TYR 179 Ca 0.12 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.62 3i3a n TYR 179 Cb 0.47 -1.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.42 3i3a n TYR 179 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3i3a s SER 180 N -2.00 4.42 -0.08 7.72 0.01 -1.17 0.60 113.70 123.21 3i3a s SER 180 Ca 0.00 -1.00 0.04 0.00 1.31 0.00 0.00 55.95 56.30 3i3a s SER 180 Cb 0.00 -0.54 -0.01 0.00 0.21 0.00 0.00 66.02 65.68 3i3a s SER 180 CO 0.00 -0.43 -0.21 -0.89 0.41 0.00 0.00 173.24 172.12 3i3a s THR 181 N -2.55 2.38 0.02 1.44 2.01 -0.15 0.02 115.64 118.81 3i3a s THR 181 Ca 0.39 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.55 3i3a s THR 181 Cb 0.02 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 3i3a s THR 181 CO 0.22 0.56 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.77 3i3a s VAL 182 N 0.03 2.18 -0.16 3.82 1.01 -0.12 -0.67 120.40 126.48 3i3a s VAL 182 Ca -0.08 -1.25 -0.21 0.00 0.00 0.00 0.00 61.98 60.44 3i3a s VAL 182 Cb -0.15 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.47 3i3a s VAL 182 CO 0.05 0.46 0.56 -0.62 0.00 0.00 0.00 175.10 175.54 3i3a s ASP 183 N -0.99 -0.55 0.00 3.32 2.15 -0.57 -1.03 116.67 119.00 3i3a s ASP 183 Ca 0.11 0.93 0.00 0.00 0.43 0.00 0.00 52.55 54.03 3i3a s ASP 183 Cb -0.10 0.94 0.00 0.00 -0.30 0.00 0.00 42.92 43.46 3i3a s ASP 183 CO 0.01 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 3i3a n GLY 184 N 2.25 1.09 2.72 2.66 0.00 -1.26 -1.34 105.19 111.31 3i3a n GLY 184 Ca -0.16 -2.25 -0.19 0.00 0.00 0.00 0.00 46.02 43.42 3i3a n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3a s ASN 185 N 0.00 2.01 0.44 1.61 2.47 -1.26 -2.13 114.94 118.07 3i3a s ASN 185 Ca 0.00 -0.82 -0.24 0.00 0.42 0.00 0.00 52.86 52.22 3i3a s ASN 185 Cb 0.00 0.34 -0.08 0.00 -1.45 0.00 0.00 41.25 40.06 3i3a s ASN 185 CO 0.00 -0.39 1.23 -2.16 -3.72 0.00 0.00 177.10 172.05 3i3a s PRO 186 N 2.31 3.83 0.45 0.43 0.04 -1.26 -5.08 135.00 135.72 3i3a s PRO 186 Ca 0.09 1.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 3i3a s PRO 186 Cb -0.14 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.75 3i3a s PRO 186 CO -0.32 -0.54 0.92 -1.54 0.04 0.00 0.00 177.00 175.55 3i3a s SER 187 N -1.08 6.73 0.03 6.66 1.04 -1.12 -5.01 113.70 120.96 3i3a s SER 187 Ca 0.61 1.52 -0.01 0.00 0.48 0.00 0.00 55.95 58.54 3i3a s SER 187 Cb -0.33 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.28 3i3a s SER 187 CO 0.41 -0.44 -0.01 0.42 0.98 0.00 0.00 173.24 174.60 3i3a s THR 188 N -2.37 0.16 -0.24 2.02 -4.23 -0.45 -4.61 115.64 105.91 3i3a s THR 188 Ca 0.58 -1.28 -0.29 0.00 -1.18 0.00 0.00 61.69 59.52 3i3a s THR 188 Cb -0.10 -0.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.88 3i3a s THR 188 CO 0.24 -0.71 1.39 -0.69 -0.54 0.00 0.00 174.62 174.31 3i3a s VAL 189 N -2.59 4.02 -0.01 2.29 1.01 0.18 -1.51 120.40 123.79 3i3a s VAL 189 Ca -0.05 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 3i3a s VAL 189 Cb -0.02 -3.98 -0.28 0.00 0.00 0.00 0.00 36.38 32.11 3i3a s VAL 189 CO -0.05 -0.35 0.79 -0.37 0.00 0.00 0.00 175.10 175.12 3i3a h VAL 190 N 5.91 1.07 0.00 2.92 -1.51 -1.23 0.16 116.25 123.56 3i3a h VAL 190 Ca -0.29 -2.73 0.00 0.00 -1.23 0.00 0.00 66.70 62.46 3i3a h VAL 190 Cb 1.12 2.72 0.00 0.00 -2.13 0.00 0.00 31.29 33.00 3i3a h VAL 190 CO 1.01 0.81 0.00 0.61 -1.23 0.00 0.00 177.57 178.77 3i3a n GLY 191 N 1.70 -0.63 3.77 5.19 0.00 -1.24 -4.83 105.19 109.15 3i3a n GLY 191 Ca -0.18 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 3i3a n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3a s LEU 192 N 0.00 3.88 -1.15 0.99 1.43 -1.26 -0.98 118.68 121.59 3i3a s LEU 192 Ca 0.00 2.37 -0.13 0.00 -1.03 0.00 0.00 54.13 55.33 3i3a s LEU 192 Cb 0.00 -4.37 0.19 0.00 0.03 0.00 0.00 46.19 42.04 3i3a s LEU 192 CO 0.00 -1.19 1.32 0.21 0.23 0.00 0.00 176.35 176.92 3i3a s ASN 193 N -1.41 7.06 0.23 2.29 2.47 0.20 -4.50 114.94 121.28 3i3a s ASN 193 Ca 0.69 -2.99 -0.07 0.00 0.42 0.00 0.00 52.86 50.92 3i3a s ASN 193 Cb -0.30 -2.36 0.28 0.00 -1.45 0.00 0.00 41.25 37.42 3i3a s ASN 193 CO 0.35 -0.69 1.86 0.28 -3.72 0.00 0.00 177.10 175.18 3i3a h SER 194 N 7.28 0.86 -0.47 -4.21 0.02 -1.93 -2.75 113.55 112.35 3i3a h SER 194 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3i3a h SER 194 Cb 0.90 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 3i3a h SER 194 CO 1.17 0.58 0.30 0.58 -1.14 0.00 0.00 176.83 178.32 3i3a h VAL 195 N 1.01 1.13 -0.14 2.27 2.07 -1.98 -1.61 116.25 119.00 3i3a h VAL 195 Ca 0.35 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 3i3a h VAL 195 Cb 0.07 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3i3a h VAL 195 CO -0.14 0.13 -0.45 1.23 0.02 0.00 0.00 177.57 178.35 3i3a h GLY 196 N 0.63 0.37 2.00 2.17 0.00 -1.83 -2.99 103.07 103.42 3i3a h GLY 196 Ca 0.17 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 3i3a h GLY 196 CO -0.04 0.34 -0.43 -0.33 0.00 0.00 0.00 176.54 176.09 3i3a h MET 197 N 0.28 0.00 0.00 4.80 2.86 -1.24 0.35 114.93 121.98 3i3a h MET 197 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3i3a h MET 197 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3i3a h MET 197 CO 0.08 0.43 0.00 1.63 1.06 0.00 0.00 176.91 180.10 3i3a n LYS 198 N -3.26 0.08 -0.09 1.72 5.02 -0.63 -2.80 118.16 118.20 3i3a n LYS 198 Ca 0.02 0.08 -0.10 0.00 -2.02 0.00 0.00 58.31 56.28 3i3a n LYS 198 Cb 0.67 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 34.02 3i3a n LYS 198 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i3a n ARG 199 N -1.45 0.68 0.05 1.97 0.63 -0.84 -4.26 116.66 113.44 3i3a n ARG 199 Ca 0.07 0.03 0.06 0.00 -0.92 0.00 0.00 57.85 57.09 3i3a n ARG 199 Cb 0.26 -1.54 0.29 0.00 0.45 0.00 0.00 32.46 31.92 3i3a n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i3a n ALA 200 N -2.77 1.37 -2.18 5.13 0.00 0.12 -4.87 120.51 117.32 3i3a n ALA 200 Ca -0.32 0.03 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 3i3a n ALA 200 Cb 1.14 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 3i3a n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3a n GLY 201 N -0.64 0.03 3.67 0.00 0.00 -1.19 -4.94 105.19 102.12 3i3a n GLY 201 Ca 0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3i3a n GLY 201 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3a s PHE 202 N -2.84 2.78 -0.31 1.61 0.08 -1.21 -4.99 117.98 113.11 3i3a s PHE 202 Ca 0.00 0.87 -0.21 0.00 0.12 0.00 0.00 56.93 57.71 3i3a s PHE 202 Cb 0.00 -3.60 -0.01 0.00 -0.57 0.00 0.00 43.02 38.84 3i3a s PHE 202 CO 0.00 -2.18 0.66 -1.54 -0.10 0.00 0.00 175.22 172.06 3i3a s SER 203 N 2.06 6.53 -0.13 1.36 1.04 -1.26 -4.70 113.70 118.60 3i3a s SER 203 Ca 0.61 0.47 -0.18 0.00 0.48 0.00 0.00 55.95 57.32 3i3a s SER 203 Cb -0.27 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 3i3a s SER 203 CO 0.22 -0.51 0.49 -2.16 0.98 0.00 0.00 173.24 172.26 3i3a s PRO 204 N 2.68 4.32 5.57 4.02 0.05 -1.26 0.19 135.00 150.57 3i3a s PRO 204 Ca 0.27 0.46 0.00 0.00 0.05 0.00 0.00 61.00 61.78 3i3a s PRO 204 Cb -0.15 -3.45 0.00 0.00 0.05 0.00 0.00 34.50 30.95 3i3a s PRO 204 CO 0.12 0.11 0.00 0.39 0.05 0.00 0.00 177.00 177.67 3i3a n GLU 205 N 3.84 0.00 -0.29 4.56 1.02 -1.26 -4.86 120.64 123.65 3i3a n GLU 205 Ca -0.06 0.00 0.28 0.00 -0.02 0.00 0.00 57.16 57.35 3i3a n GLU 205 Cb 0.51 0.00 0.63 0.00 -0.02 0.00 0.00 31.44 32.56 3i3a n GLU 205 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i3a h VAL 206 N 0.00 0.50 0.00 2.62 2.07 0.18 2.62 116.25 124.23 3i3a h VAL 206 Ca 0.00 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3i3a h VAL 206 Cb 0.00 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3i3a h VAL 206 CO 0.00 0.04 -0.31 0.03 0.02 0.00 0.00 177.57 177.35 3i3a h ARG 207 N 0.19 0.00 -0.03 1.57 3.08 -1.84 -2.82 114.38 114.53 3i3a h ARG 207 Ca 0.55 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.34 3i3a h ARG 207 Cb 1.77 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.84 3i3a h ARG 207 CO -0.14 0.31 -0.99 -0.91 -1.07 0.00 0.00 179.97 177.16 3i3a h ASN 208 N 0.00 0.89 0.90 7.04 2.35 0.42 -2.10 115.58 125.08 3i3a h ASN 208 Ca -0.00 -0.69 -0.10 0.00 -0.55 0.00 0.00 56.30 54.95 3i3a h ASN 208 Cb 1.02 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 3i3a h ASN 208 CO 0.04 1.49 -0.47 0.00 -1.65 0.00 0.00 177.43 176.84 3i3a h ALA 209 N 0.46 0.91 -0.00 -0.83 0.00 -1.44 0.35 119.26 118.70 3i3a h ALA 209 Ca -0.11 -0.43 -0.25 0.00 0.00 0.00 0.00 54.91 54.12 3i3a h ALA 209 Cb 1.64 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.37 3i3a h ALA 209 CO 0.19 0.59 -0.96 0.82 0.00 0.00 0.00 179.25 179.90 3i3a h ILE 210 N 0.00 1.30 -0.60 0.00 2.04 -1.59 -2.44 117.51 116.23 3i3a h ILE 210 Ca -0.00 -2.21 -0.03 0.00 1.00 0.00 0.00 64.86 63.62 3i3a h ILE 210 Cb 1.05 2.41 -0.03 0.00 -0.74 0.00 0.00 36.82 39.52 3i3a h ILE 210 CO 0.06 0.68 0.27 0.50 0.00 0.00 0.00 178.15 179.66 3i3a h LYS 211 N 0.31 0.88 -0.86 2.37 3.64 -1.07 -2.47 116.57 119.35 3i3a h LYS 211 Ca -0.12 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 3i3a h LYS 211 Cb 1.63 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 33.25 3i3a h LYS 211 CO 0.19 0.73 0.49 1.25 -2.27 0.00 0.00 179.45 179.84 3i3a h HIS 212 N 0.82 1.17 -0.48 1.91 2.76 -0.38 -0.87 115.15 120.08 3i3a h HIS 212 Ca 0.20 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.43 3i3a h HIS 212 Cb 0.16 -0.38 -0.06 0.00 1.55 0.00 0.00 27.41 28.68 3i3a h HIS 212 CO 0.00 0.80 0.13 0.00 -1.30 0.00 0.00 177.93 177.56 3i3a h ALA 213 N 1.27 0.55 0.00 5.26 0.00 -1.17 -1.62 119.26 123.55 3i3a h ALA 213 Ca 0.31 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3i3a h ALA 213 Cb -0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i3a h ALA 213 CO -0.05 -0.27 0.00 1.88 0.00 0.00 0.00 179.25 180.81 3i3a h TYR 214 N 0.28 0.00 -0.33 0.00 0.05 -1.20 -2.19 116.97 113.58 3i3a h TYR 214 Ca 0.23 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.90 3i3a h TYR 214 Cb 0.28 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 3i3a h TYR 214 CO -0.19 0.00 -0.23 -0.22 -1.05 0.00 0.00 178.16 176.47 3i3a h LYS 215 N 0.00 0.75 0.08 4.88 3.64 -0.61 -1.00 116.57 124.30 3i3a h LYS 215 Ca 0.00 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3i3a h LYS 215 Cb 0.90 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3i3a h LYS 215 CO 0.00 0.97 -0.04 0.28 -2.27 0.00 0.00 179.45 178.40 3i3a h VAL 216 N 0.52 1.10 -0.40 2.00 2.07 -1.17 -1.19 116.25 119.17 3i3a h VAL 216 Ca 0.07 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3i3a h VAL 216 Cb 0.79 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3i3a h VAL 216 CO 0.06 0.15 0.19 0.40 0.02 0.00 0.00 177.57 178.40 3i3a h ILE 217 N -0.39 1.17 0.00 4.57 2.04 -1.44 -3.36 117.51 120.11 3i3a h ILE 217 Ca -0.01 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3i3a h ILE 217 Cb 0.33 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3i3a h ILE 217 CO 0.02 0.19 -1.39 -1.22 0.00 0.00 0.00 178.15 175.74 3i3a n TYR 218 N -4.69 0.00 -2.32 1.37 4.01 -0.38 -4.76 117.16 110.39 3i3a n TYR 218 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 3i3a n TYR 218 Cb 0.11 -0.21 0.06 0.00 -0.31 0.00 0.00 39.34 38.99 3i3a n TYR 218 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3i3a n HIS 219 N -1.85 1.40 -0.40 -0.72 8.25 -0.47 -4.73 115.22 116.69 3i3a n HIS 219 Ca -0.03 -1.82 0.00 0.00 -0.26 0.00 0.00 57.72 55.61 3i3a n HIS 219 Cb 0.29 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3i3a n HIS 219 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i3a n SER 220 N -0.55 1.20 -2.54 0.41 7.64 -1.07 -4.86 113.62 113.84 3i3a n SER 220 Ca 0.21 -1.60 -0.19 0.00 1.01 0.00 0.00 58.87 58.30 3i3a n SER 220 Cb 0.90 -0.00 0.03 0.00 -1.01 0.00 0.00 64.21 64.12 3i3a n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3a n GLY 221 N -0.30 -0.36 3.23 0.23 0.00 -1.26 -5.02 105.19 101.71 3i3a n GLY 221 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 3i3a n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i3a s ILE 222 N -3.06 1.28 0.86 -0.61 -4.36 -1.26 -5.15 121.20 108.90 3i3a s ILE 222 Ca 0.22 -1.70 -0.11 0.00 -0.26 0.00 0.00 60.65 58.80 3i3a s ILE 222 Cb -0.10 -1.51 0.11 0.00 1.25 0.00 0.00 42.46 42.22 3i3a s ILE 222 CO 0.28 -0.43 1.14 -0.94 0.24 0.00 0.00 174.94 175.22 3i3a s SER 223 N -2.44 3.46 0.28 4.36 1.04 -1.26 -4.79 113.70 114.35 3i3a s SER 223 Ca 0.08 2.11 0.06 0.00 0.48 0.00 0.00 55.95 58.68 3i3a s SER 223 Cb -0.05 -2.56 0.40 0.00 0.10 0.00 0.00 66.02 63.91 3i3a s SER 223 CO 0.03 -2.74 1.66 0.74 0.98 0.00 0.00 173.24 173.91 3i3a h THR 224 N -1.53 1.33 -0.02 2.02 2.02 -1.97 -0.71 112.91 114.06 3i3a h THR 224 Ca -0.44 -1.63 0.03 0.00 0.77 0.00 0.00 66.41 65.15 3i3a h THR 224 Cb 1.26 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 69.37 3i3a h THR 224 CO 0.45 0.49 -0.30 -0.09 0.37 0.00 0.00 175.52 176.44 3i3a h ARG 225 N 0.21 -0.42 -0.28 6.66 2.43 -1.99 -2.05 114.38 118.94 3i3a h ARG 225 Ca 0.01 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3i3a h ARG 225 Cb 0.88 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3i3a h ARG 225 CO 0.07 -0.28 -0.12 0.87 -1.51 0.00 0.00 179.97 179.00 3i3a h LYS 226 N -0.43 0.58 -0.06 0.20 1.57 -1.85 -3.10 116.57 113.48 3i3a h LYS 226 Ca 0.07 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3i3a h LYS 226 Cb 0.53 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 3i3a h LYS 226 CO -0.26 0.81 -0.14 0.00 -0.57 0.00 0.00 179.45 179.29 3i3a h ALA 227 N 0.75 -0.12 -0.53 3.86 0.00 -1.08 -1.49 119.26 120.64 3i3a h ALA 227 Ca 0.06 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3i3a h ALA 227 Cb 0.63 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 3i3a h ALA 227 CO 0.04 -0.62 0.05 -0.07 0.00 0.00 0.00 179.25 178.65 3i3a h LEU 228 N -0.21 -0.13 -1.02 0.00 3.38 -1.42 -1.20 115.31 114.71 3i3a h LEU 228 Ca 0.07 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3i3a h LEU 228 Cb 0.30 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3i3a h LEU 228 CO -0.18 -0.04 0.65 0.44 0.09 0.00 0.00 178.44 179.40 3i3a h ASP 229 N 0.17 1.06 0.20 -0.43 3.32 -1.34 -1.73 116.42 117.67 3i3a h ASP 229 Ca 0.27 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 3i3a h ASP 229 Cb 0.41 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3i3a h ASP 229 CO -0.41 0.69 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.07 3i3a h GLU 230 N 1.21 0.28 -0.13 3.56 4.39 -0.29 -3.14 114.58 120.45 3i3a h GLU 230 Ca 0.42 -0.13 -0.20 0.00 0.34 0.00 0.00 59.36 59.79 3i3a h GLU 230 Cb 0.11 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3i3a h GLU 230 CO -0.15 0.64 -0.72 -0.07 -1.16 0.00 0.00 179.01 177.55 3i3a h LEU 231 N 0.23 0.71 -2.25 1.33 3.38 -0.48 -2.74 115.31 115.50 3i3a h LEU 231 Ca 0.02 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.57 3i3a h LEU 231 Cb 0.82 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3i3a h LEU 231 CO 0.06 1.21 0.08 -0.33 0.09 0.00 0.00 178.44 179.56 3i3a h GLU 232 N 0.42 0.00 -0.66 1.13 5.08 -1.35 -2.79 114.58 116.42 3i3a h GLU 232 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3i3a h GLU 232 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3i3a h GLU 232 CO 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 3i3a n ALA 233 N -2.40 3.14 0.02 3.43 0.00 -1.03 -4.58 120.51 119.07 3i3a n ALA 233 Ca -0.01 -1.15 0.02 0.00 0.00 0.00 0.00 53.44 52.30 3i3a n ALA 233 Cb 0.19 -1.05 0.20 0.00 0.00 0.00 0.00 19.45 18.78 3i3a n ALA 233 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i3a n SER 234 N 0.56 3.42 0.00 0.00 2.88 -1.05 -4.98 113.62 114.45 3i3a n SER 234 Ca 0.18 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 55.21 3i3a n SER 234 Cb 0.75 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 3i3a n SER 234 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i3a n GLY 235 N 0.25 1.74 2.64 0.46 0.00 -1.26 -4.59 105.19 104.42 3i3a n GLY 235 Ca 0.16 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 3i3a n GLY 235 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3a s ASN 236 N -4.00 3.11 0.36 1.61 3.84 -1.26 -5.12 114.94 113.49 3i3a s ASN 236 Ca 0.00 -3.20 -0.27 0.00 0.21 0.00 0.00 52.86 49.60 3i3a s ASN 236 Cb 0.00 -0.97 -0.09 0.00 -0.55 0.00 0.00 41.25 39.64 3i3a s ASN 236 CO 0.00 -0.17 1.21 -0.76 -2.79 0.00 0.00 177.10 174.60 3i3a s LEU 237 N -0.35 4.32 0.33 3.21 1.43 -1.26 -5.04 118.68 121.33 3i3a s LEU 237 Ca 0.26 2.47 -0.13 0.00 -1.03 0.00 0.00 54.13 55.70 3i3a s LEU 237 Cb -0.06 -3.84 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 3i3a s LEU 237 CO -0.14 -0.57 0.72 0.27 0.23 0.00 0.00 176.35 176.86 3i3a s ILE 238 N -1.28 4.74 0.40 -0.59 -4.36 -1.26 -4.97 121.20 113.88 3i3a s ILE 238 Ca 0.53 0.80 0.32 0.00 -0.26 0.00 0.00 60.65 62.03 3i3a s ILE 238 Cb -0.34 -3.64 0.34 0.00 1.25 0.00 0.00 42.46 40.06 3i3a s ILE 238 CO 0.44 -0.27 2.11 1.05 0.24 0.00 0.00 174.94 178.51 3i3a h GLU 239 N 2.01 0.00 0.00 0.37 4.11 -1.99 -0.59 114.58 118.49 3i3a h GLU 239 Ca -0.48 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.93 3i3a h GLU 239 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 3i3a h GLU 239 CO 0.65 0.08 -0.14 1.96 0.07 0.00 0.00 179.01 181.63 3i3a h GLN 240 N 0.00 0.00 0.07 1.06 7.50 -1.99 -1.83 115.11 119.92 3i3a h GLN 240 Ca -0.00 0.00 -0.32 0.00 0.50 0.00 0.00 58.65 58.83 3i3a h GLN 240 Cb 0.31 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.81 3i3a h GLN 240 CO 0.01 0.14 -1.79 0.28 -1.50 0.00 0.00 178.83 175.97 3i3a h VAL 241 N 0.00 0.81 -0.56 -0.54 2.07 -1.47 -2.98 116.25 113.58 3i3a h VAL 241 Ca -0.00 -2.58 -0.04 0.00 0.82 0.00 0.00 66.70 64.91 3i3a h VAL 241 Cb 0.61 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 3i3a h VAL 241 CO 0.02 0.71 0.20 0.11 0.02 0.00 0.00 177.57 178.63 3i3a h LYS 242 N 0.04 0.82 -0.09 1.57 1.79 -1.41 -2.11 116.57 117.17 3i3a h LYS 242 Ca -0.33 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 3i3a h LYS 242 Cb 2.02 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 32.53 3i3a h LYS 242 CO 0.10 0.69 0.01 -0.92 -1.08 0.00 0.00 179.45 178.25 3i3a h TYR 243 N 0.80 0.16 -0.64 -1.35 -0.00 -1.44 -1.26 116.97 113.25 3i3a h TYR 243 Ca 0.19 -0.02 0.14 0.00 -0.00 0.00 0.00 58.73 59.03 3i3a h TYR 243 Cb 0.19 -0.04 -0.11 0.00 -0.00 0.00 0.00 36.73 36.76 3i3a h TYR 243 CO 0.01 0.36 -0.04 0.82 -0.00 0.00 0.00 178.16 179.32 3i3a h ILE 244 N -0.08 0.43 0.15 1.81 2.04 -1.35 0.34 117.51 120.85 3i3a h ILE 244 Ca 0.03 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3i3a h ILE 244 Cb 0.29 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3i3a h ILE 244 CO 0.00 0.02 -0.07 0.40 0.00 0.00 0.00 178.15 178.50 3i3a h ILE 245 N 0.08 0.88 -0.82 -0.67 2.04 -1.25 -2.04 117.51 115.74 3i3a h ILE 245 Ca 0.33 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 3i3a h ILE 245 Cb 0.54 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3i3a h ILE 245 CO -0.58 0.02 0.47 0.50 0.00 0.00 0.00 178.15 178.57 3i3a h LYS 246 N -0.24 1.12 -0.41 2.37 3.64 -0.72 0.65 116.57 122.98 3i3a h LYS 246 Ca -0.02 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3i3a h LYS 246 Cb 0.19 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3i3a h LYS 246 CO 0.03 0.80 0.26 0.35 -2.27 0.00 0.00 179.45 178.62 3i3a h PHE 247 N 1.14 0.49 -0.37 1.91 3.57 -0.14 0.05 116.94 123.58 3i3a h PHE 247 Ca 0.29 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.64 3i3a h PHE 247 Cb -0.02 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3i3a h PHE 247 CO 0.01 0.30 -0.41 0.74 -2.23 0.00 0.00 178.31 176.72 3i3a h PHE 248 N 0.53 1.11 -0.24 0.41 -1.00 -0.94 -2.73 116.94 114.07 3i3a h PHE 248 Ca 0.15 -0.34 -0.13 0.00 2.81 0.00 0.00 57.97 60.46 3i3a h PHE 248 Cb -0.04 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 3i3a h PHE 248 CO -0.06 1.17 -0.38 0.00 -1.61 0.00 0.00 178.31 177.44 3i3a h ARG 249 N 0.75 0.55 -0.01 1.51 3.08 -0.65 -3.23 114.38 116.37 3i3a h ARG 249 Ca 0.05 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3i3a h ARG 249 Cb 1.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3i3a h ARG 249 CO 0.10 0.84 -0.41 -0.25 -1.07 0.00 0.00 179.97 179.18 3i3a n ASP 250 N -4.04 1.32 -4.56 7.04 8.00 -0.02 -4.96 116.55 119.33 3i3a n ASP 250 Ca -0.01 -1.06 -0.48 0.00 0.71 0.00 0.00 54.79 53.95 3i3a n ASP 250 Cb 0.50 0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.89 3i3a n ASP 250 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3i3a n SER 251 N -0.58 0.96 -0.05 -2.24 2.88 -1.03 -4.91 113.62 108.65 3i3a n SER 251 Ca 0.10 1.15 -0.21 0.00 -1.33 0.00 0.00 58.87 58.57 3i3a n SER 251 Cb 0.39 -1.18 -0.13 0.00 -0.75 0.00 0.00 64.21 62.54 3i3a n SER 251 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3i3a n ASP 252 N 1.83 2.04 0.02 -3.46 8.00 -1.26 -4.44 116.55 119.27 3i3a n ASP 252 Ca 0.15 0.19 0.11 0.00 0.71 0.00 0.00 54.79 55.94 3i3a n ASP 252 Cb 0.25 -0.79 0.03 0.00 -0.02 0.00 0.00 41.12 40.59 3i3a n ASP 252 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i3a n ARG 253 N -3.66 0.20 0.00 -1.24 1.74 -1.26 -5.08 116.66 107.35 3i3a n ARG 253 Ca -0.36 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.71 3i3a n ARG 253 Cb 0.96 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 3i3a n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3a n GLY 254 N 1.41 1.15 3.84 -0.13 0.00 -1.26 -4.87 105.19 105.33 3i3a n GLY 254 Ca 0.03 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 3i3a n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3a s VAL 255 N -2.36 5.17 0.12 1.61 1.01 -1.26 -0.51 120.40 124.18 3i3a s VAL 255 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 61.98 61.58 3i3a s VAL 255 Cb 0.00 -3.30 -0.15 0.00 0.00 0.00 0.00 36.38 32.93 3i3a s VAL 255 CO 0.00 0.51 1.44 0.41 0.00 0.00 0.00 175.10 177.46 3i3a n THR 256 N 1.64 0.02 -1.50 3.92 -1.04 -0.05 -4.73 114.28 112.54 3i3a n THR 256 Ca -0.17 -0.01 -0.50 0.00 -2.04 0.00 0.00 64.05 61.34 3i3a n THR 256 Cb 0.54 -1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 67.86 3i3a n THR 256 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3i3a n ASN 257 N 2.91 0.13 -4.79 8.00 3.02 -1.26 -4.45 115.26 118.81 3i3a n ASN 257 Ca 0.18 1.15 -0.35 0.00 -0.03 0.00 0.00 54.58 55.52 3i3a n ASN 257 Cb 0.24 -1.07 -0.05 0.00 -0.61 0.00 0.00 39.78 38.28 3i3a n ASN 257 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i3a s HIS 258 N -0.59 3.34 -2.00 3.10 2.46 -1.26 -0.65 115.29 119.69 3i3a s HIS 258 Ca 0.71 1.66 0.15 0.00 0.47 0.00 0.00 55.06 58.04 3i3a s HIS 258 Cb -0.93 -2.99 0.88 0.00 -0.13 0.00 0.00 32.58 29.41 3i3a s HIS 258 CO 0.56 -0.31 1.30 -2.13 -2.47 0.00 0.00 174.74 171.69