#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8a s LEU 2 N 0.00 3.42 0.19 -4.42 2.96 -1.26 -1.10 118.68 118.47 3i8a s LEU 2 Ca 0.00 -1.01 0.11 0.00 -0.22 0.00 0.00 54.13 53.01 3i8a s LEU 2 Cb 0.00 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3i8a s LEU 2 CO 0.00 -0.17 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.19 3i8a s SER 3 N 1.30 3.27 0.07 3.68 0.01 0.10 -0.88 113.70 121.26 3i8a s SER 3 Ca -0.02 -0.87 -0.10 0.00 1.31 0.00 0.00 55.95 56.27 3i8a s SER 3 Cb -0.18 -0.23 -0.06 0.00 0.21 0.00 0.00 66.02 65.76 3i8a s SER 3 CO -0.03 0.08 0.39 -0.63 0.41 0.00 0.00 173.24 173.46 3i8a s ILE 4 N -1.78 5.11 -0.15 1.44 1.01 0.11 0.28 121.20 127.22 3i8a s ILE 4 Ca 0.20 0.44 -0.00 0.00 0.00 0.00 0.00 60.65 61.28 3i8a s ILE 4 Cb -0.07 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.79 3i8a s ILE 4 CO 0.09 0.30 -0.07 -0.22 0.00 0.00 0.00 174.94 175.05 3i8a s LEU 5 N -1.87 1.48 -0.02 2.97 2.96 -0.31 -0.43 118.68 123.45 3i8a s LEU 5 Ca 0.32 -0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 3i8a s LEU 5 Cb -0.14 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.66 3i8a s LEU 5 CO 0.18 -0.16 0.18 0.54 -1.32 0.00 0.00 176.35 175.77 3i8a s VAL 6 N 1.65 0.05 -0.20 1.68 0.11 -0.53 -4.47 120.40 118.69 3i8a s VAL 6 Ca 0.02 -0.44 -0.03 0.00 -2.93 0.00 0.00 61.98 58.60 3i8a s VAL 6 Cb -0.14 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 3i8a s VAL 6 CO -0.08 -0.24 -0.06 0.00 -3.33 0.00 0.00 175.10 171.39 3i8a s ALA 7 N -0.89 2.79 0.11 1.54 0.00 -1.26 -0.86 121.76 123.18 3i8a s ALA 7 Ca -0.10 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.81 3i8a s ALA 7 Cb -0.05 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 3i8a s ALA 7 CO 0.01 -0.25 -0.10 -3.38 0.00 0.00 0.00 175.76 172.04 3i8a s HIS 8 N 1.18 1.09 0.10 0.00 -3.43 -0.26 -4.54 115.29 109.43 3i8a s HIS 8 Ca 0.02 -0.69 -0.01 0.00 -0.80 0.00 0.00 55.06 53.59 3i8a s HIS 8 Cb -0.14 -0.59 0.02 0.00 -1.43 0.00 0.00 32.58 30.44 3i8a s HIS 8 CO -0.01 0.01 0.14 -0.40 -2.00 0.00 0.00 174.74 172.47 3i8a n ASP 9 N 0.40 0.11 0.30 7.38 5.75 0.04 -0.42 116.55 130.11 3i8a n ASP 9 Ca -0.15 -1.11 0.17 0.00 -0.01 0.00 0.00 54.79 53.69 3i8a n ASP 9 Cb 0.58 -0.10 0.95 0.00 -1.03 0.00 0.00 41.12 41.52 3i8a n ASP 9 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3i8a h LEU 10 N 0.00 0.00 -3.21 -2.12 3.38 -1.25 -1.72 115.31 110.39 3i8a h LEU 10 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i8a h LEU 10 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i8a h LEU 10 CO 0.04 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3i8a n GLN 11 N -3.51 2.90 -1.60 1.13 6.02 -1.26 -4.96 117.38 116.10 3i8a n GLN 11 Ca -0.02 -2.73 -0.15 0.00 -0.01 0.00 0.00 57.00 54.08 3i8a n GLN 11 Cb 0.13 -1.76 -0.05 0.00 1.02 0.00 0.00 30.24 29.58 3i8a n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i8a n ARG 12 N -0.39 -1.07 -1.97 -1.09 1.74 -0.65 -4.92 116.66 108.31 3i8a n ARG 12 Ca 0.20 0.97 -0.41 0.00 -0.77 0.00 0.00 57.85 57.84 3i8a n ARG 12 Cb 0.83 -5.15 -0.02 0.00 -1.02 0.00 0.00 32.46 27.10 3i8a n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i8a s VAL 13 N -2.59 2.51 -0.00 1.55 1.01 -1.26 -0.71 120.40 120.90 3i8a s VAL 13 Ca 0.00 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.44 3i8a s VAL 13 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3i8a s VAL 13 CO 0.00 0.08 0.01 2.30 0.00 0.00 0.00 175.10 177.49 3i8a n ILE 14 N 1.79 0.00 -3.53 2.22 -5.35 -0.30 -0.78 119.36 113.42 3i8a n ILE 14 Ca 0.05 -0.01 -0.11 0.00 -0.27 0.00 0.00 62.75 62.41 3i8a n ILE 14 Cb 0.40 0.36 -0.03 0.00 -1.74 0.00 0.00 39.64 38.63 3i8a n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i8a s GLY 15 N -2.14 -0.45 -0.14 3.28 0.00 -1.20 -4.56 107.32 102.10 3i8a s GLY 15 Ca -0.00 0.24 -0.05 0.00 0.00 0.00 0.00 44.72 44.90 3i8a s GLY 15 CO 0.02 -0.03 0.30 -0.12 0.00 0.00 0.00 173.10 173.27 3i8a s PHE 16 N -3.78 -0.51 -1.26 1.90 2.19 -0.39 -1.35 117.98 114.78 3i8a s PHE 16 Ca 0.03 1.09 -0.07 0.00 0.33 0.00 0.00 56.93 58.31 3i8a s PHE 16 Cb -0.00 0.06 -0.01 0.00 -1.31 0.00 0.00 43.02 41.76 3i8a s PHE 16 CO -0.11 -0.37 0.67 0.39 1.83 0.00 0.00 175.22 177.63 3i8a n GLU 17 N 5.20 -3.14 -1.36 10.12 1.02 -1.26 -1.95 120.64 129.27 3i8a n GLU 17 Ca -0.09 0.53 -0.12 0.00 -0.02 0.00 0.00 57.16 57.45 3i8a n GLU 17 Cb 0.50 -4.71 -0.05 0.00 -0.02 0.00 0.00 31.44 27.15 3i8a n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3i8a n ASN 18 N -2.93 -5.66 -4.49 1.62 3.02 -1.26 -4.96 115.26 100.61 3i8a n ASN 18 Ca -0.22 0.30 -0.23 0.00 -0.03 0.00 0.00 54.58 54.40 3i8a n ASN 18 Cb 0.65 -4.24 -0.11 0.00 -0.61 0.00 0.00 39.78 35.47 3i8a n ASN 18 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3i8a s GLN 19 N -3.03 1.73 0.11 3.52 -1.52 -0.82 -4.73 119.66 114.92 3i8a s GLN 19 Ca 0.00 -1.96 -0.26 0.00 -1.95 0.00 0.00 55.36 51.19 3i8a s GLN 19 Cb 0.00 -1.06 -0.07 0.00 -0.22 0.00 0.00 33.01 31.66 3i8a s GLN 19 CO 0.00 -0.15 0.81 -0.51 -0.25 0.00 0.00 175.29 175.19 3i8a s LEU 20 N -3.54 4.53 0.52 2.90 1.43 -1.26 -1.26 118.68 122.00 3i8a s LEU 20 Ca 0.36 1.60 0.32 0.00 -1.03 0.00 0.00 54.13 55.38 3i8a s LEU 20 Cb 0.09 -3.33 1.20 0.00 0.03 0.00 0.00 46.19 44.19 3i8a s LEU 20 CO 0.16 0.09 1.92 -0.65 0.23 0.00 0.00 176.35 178.10 3i8a h PRO 21 N 5.03 0.00 -5.10 1.29 0.11 -1.88 -3.46 132.00 128.00 3i8a h PRO 21 Ca -0.45 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.21 3i8a h PRO 21 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 3i8a h PRO 21 CO 0.69 0.00 -0.60 1.67 -0.21 0.00 0.00 178.00 179.55 3i8a s TRP 22 N -3.59 1.82 -0.30 0.65 -2.14 -1.26 -5.05 118.94 109.08 3i8a s TRP 22 Ca 0.02 -1.07 -0.01 0.00 2.66 0.00 0.00 56.10 57.70 3i8a s TRP 22 Cb 0.08 -1.15 0.09 0.00 -3.10 0.00 0.00 33.47 29.40 3i8a s TRP 22 CO 0.56 -0.14 0.08 -1.01 -2.66 0.00 0.00 176.95 173.78 3i8a s HIS 23 N -3.42 1.81 -0.45 1.66 3.76 -1.26 -5.07 115.29 112.32 3i8a s HIS 23 Ca 0.35 -1.73 0.03 0.00 -0.15 0.00 0.00 55.06 53.55 3i8a s HIS 23 Cb 0.08 -1.72 0.15 0.00 1.11 0.00 0.00 32.58 32.20 3i8a s HIS 23 CO 0.15 -0.85 0.30 -1.17 -0.85 0.00 0.00 174.74 172.32 3i8a s LEU 24 N 1.58 2.20 0.33 0.89 2.96 -1.26 -4.73 118.68 120.65 3i8a s LEU 24 Ca 0.08 -2.84 0.06 0.00 -0.22 0.00 0.00 54.13 51.20 3i8a s LEU 24 Cb -0.17 -0.79 0.71 0.00 0.50 0.00 0.00 46.19 46.45 3i8a s LEU 24 CO -0.21 -0.22 1.88 -0.65 -1.32 0.00 0.00 176.35 175.82 3i8a h PRO 25 N 6.26 0.79 -0.82 0.98 0.11 -1.98 -0.52 132.00 136.80 3i8a h PRO 25 Ca 0.12 -0.05 0.18 0.00 0.11 0.00 0.00 66.00 66.36 3i8a h PRO 25 Cb 0.91 -0.18 -0.11 0.00 0.11 0.00 0.00 31.00 31.73 3i8a h PRO 25 CO 0.43 0.52 0.32 -0.91 -0.21 0.00 0.00 178.00 178.15 3i8a h ASN 26 N 0.81 0.26 -0.47 -2.05 2.35 -1.94 0.43 115.58 114.97 3i8a h ASN 26 Ca 0.44 0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 56.19 3i8a h ASN 26 Cb 0.56 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 3i8a h ASN 26 CO -0.20 0.04 -0.22 -0.78 -1.65 0.00 0.00 177.43 174.62 3i8a h ASP 27 N 0.41 1.01 -0.73 5.81 1.82 -1.53 -1.12 116.42 122.09 3i8a h ASP 27 Ca 0.48 -0.40 0.08 0.00 -0.39 0.00 0.00 57.03 56.80 3i8a h ASP 27 Cb 0.82 -0.28 -0.06 0.00 0.68 0.00 0.00 39.33 40.49 3i8a h ASP 27 CO -0.48 1.19 0.40 -0.07 -1.61 0.00 0.00 179.24 178.67 3i8a h LEU 28 N 0.84 0.57 -0.55 2.28 3.38 -0.97 -0.16 115.31 120.71 3i8a h LEU 28 Ca 0.11 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3i8a h LEU 28 Cb 0.80 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3i8a h LEU 28 CO 0.07 0.35 0.36 0.11 0.09 0.00 0.00 178.44 179.41 3i8a h LYS 29 N 0.71 0.70 -0.61 1.13 1.57 -0.75 -0.91 116.57 118.41 3i8a h LYS 29 Ca 0.34 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 3i8a h LYS 29 Cb 0.27 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3i8a h LYS 29 CO -0.22 0.47 0.37 -0.97 -0.57 0.00 0.00 179.45 178.53 3i8a h ASN 30 N 0.72 0.61 -0.32 0.86 -1.24 -0.86 -1.51 115.58 113.85 3i8a h ASN 30 Ca 0.20 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 3i8a h ASN 30 Cb -0.07 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 3i8a h ASN 30 CO -0.05 0.42 0.17 0.58 -1.29 0.00 0.00 177.43 177.26 3i8a h VAL 31 N 0.73 1.14 0.35 2.57 2.07 -0.70 -2.30 116.25 120.11 3i8a h VAL 31 Ca 0.25 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3i8a h VAL 31 Cb 0.03 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3i8a h VAL 31 CO -0.11 0.14 -0.17 0.50 0.02 0.00 0.00 177.57 177.96 3i8a h LYS 32 N 0.39 -0.46 -0.89 1.57 3.64 -0.96 -0.43 116.57 119.44 3i8a h LYS 32 Ca 0.11 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3i8a h LYS 32 Cb 0.08 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 3i8a h LYS 32 CO -0.02 -0.27 0.58 -0.22 -2.27 0.00 0.00 179.45 177.25 3i8a h LYS 33 N -0.53 1.12 -0.04 1.90 3.64 -1.34 0.11 116.57 121.43 3i8a h LYS 33 Ca -0.05 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.09 3i8a h LYS 33 Cb 0.40 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3i8a h LYS 33 CO 0.08 0.74 -0.73 1.25 -2.27 0.00 0.00 179.45 178.52 3i8a h LEU 34 N 1.15 0.31 0.00 5.20 5.85 -1.20 -3.36 115.31 123.26 3i8a h LEU 34 Ca 0.34 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3i8a h LEU 34 Cb -0.05 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3i8a h LEU 34 CO -0.10 0.93 -1.12 -1.54 -0.34 0.00 0.00 178.44 176.27 3i8a n SER 35 N -3.79 2.20 -4.65 1.25 3.41 -0.19 -4.92 113.62 106.93 3i8a n SER 35 Ca -0.03 -0.21 -0.50 0.00 -0.26 0.00 0.00 58.87 57.87 3i8a n SER 35 Cb 0.70 1.29 -0.05 0.00 -0.26 0.00 0.00 64.21 65.89 3i8a n SER 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3i8a n THR 36 N -1.63 0.17 -0.66 6.66 -1.04 0.39 -1.06 114.28 117.10 3i8a n THR 36 Ca -0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3i8a n THR 36 Cb 0.20 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 3i8a n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i8a n GLY 37 N 3.47 0.75 0.00 3.41 0.00 0.99 -4.99 105.19 108.81 3i8a n GLY 37 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3i8a n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i8a n HIS 38 N -2.34 0.00 -5.13 1.61 -0.00 -0.22 -4.91 115.22 104.23 3i8a n HIS 38 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 3i8a n HIS 38 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 3i8a n HIS 38 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3i8a s THR 39 N 0.24 2.28 -0.20 1.59 2.01 -0.77 -0.39 115.64 120.41 3i8a s THR 39 Ca 0.00 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 3i8a s THR 39 Cb 0.00 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 3i8a s THR 39 CO 0.00 0.56 0.03 -0.76 -0.69 0.00 0.00 174.62 173.76 3i8a s LEU 40 N 0.23 3.49 -0.19 4.42 1.43 -0.19 0.23 118.68 128.11 3i8a s LEU 40 Ca -0.14 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 3i8a s LEU 40 Cb -0.17 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3i8a s LEU 40 CO 0.07 0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 176.00 3i8a s VAL 41 N 0.80 3.36 0.09 -1.59 1.01 0.42 -0.41 120.40 124.08 3i8a s VAL 41 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3i8a s VAL 41 Cb -0.14 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3i8a s VAL 41 CO 0.02 0.46 -0.07 0.00 0.00 0.00 0.00 175.10 175.52 3i8a s MET 42 N 1.02 0.79 0.69 2.72 0.00 -0.37 0.26 119.30 124.42 3i8a s MET 42 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 55.69 54.31 3i8a s MET 42 Cb -0.15 -0.21 0.01 0.00 0.00 0.00 0.00 34.83 34.49 3i8a s MET 42 CO -0.00 -0.01 1.06 0.20 0.00 0.00 0.00 175.02 176.27 3i8a s GLY 43 N -2.87 1.66 0.27 3.16 0.00 0.79 -0.60 107.32 109.73 3i8a s GLY 43 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.85 3i8a s GLY 43 CO -0.04 0.36 1.86 -0.09 0.00 0.00 0.00 173.10 175.19 3i8a h ARG 44 N -0.70 1.08 -0.24 2.90 1.12 -1.70 -1.46 114.38 115.37 3i8a h ARG 44 Ca -0.44 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 58.34 3i8a h ARG 44 Cb 1.21 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 30.92 3i8a h ARG 44 CO 0.57 0.71 0.04 0.87 -3.11 0.00 0.00 179.97 179.06 3i8a h LYS 45 N 1.11 0.40 -0.36 0.20 1.57 -1.94 0.85 116.57 118.40 3i8a h LYS 45 Ca 0.46 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 59.17 3i8a h LYS 45 Cb 0.29 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3i8a h LYS 45 CO -0.21 0.53 0.14 1.15 -0.57 0.00 0.00 179.45 180.49 3i8a h THR 46 N 0.21 0.92 -0.71 -0.16 2.02 -1.83 -0.24 112.91 113.11 3i8a h THR 46 Ca 0.07 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.19 3i8a h THR 46 Cb 0.32 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 3i8a h THR 46 CO 0.00 0.06 0.44 0.15 0.37 0.00 0.00 175.52 176.54 3i8a h PHE 47 N 0.30 0.82 0.00 3.16 3.04 -1.03 -1.22 116.94 122.01 3i8a h PHE 47 Ca 0.16 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.06 3i8a h PHE 47 Cb 0.12 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 3i8a h PHE 47 CO -0.13 0.45 -0.35 0.93 -2.02 0.00 0.00 178.31 177.18 3i8a h GLU 48 N 0.84 0.00 0.02 1.11 4.39 -0.44 0.10 114.58 120.60 3i8a h GLU 48 Ca 0.30 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.78 3i8a h GLU 48 Cb 0.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3i8a h GLU 48 CO -0.13 0.35 -1.01 0.66 -1.16 0.00 0.00 179.01 177.72 3i8a h SER 49 N 0.00 0.10 0.28 1.42 4.64 -0.56 -3.26 113.55 116.18 3i8a h SER 49 Ca -0.00 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3i8a h SER 49 Cb 0.64 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3i8a h SER 49 CO 0.05 1.05 -0.14 0.40 -0.87 0.00 0.00 176.83 177.32 3i8a h ILE 50 N 0.02 0.75 0.00 0.95 2.04 -0.92 -3.47 117.51 116.89 3i8a h ILE 50 Ca -0.04 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3i8a h ILE 50 Cb 1.75 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3i8a h ILE 50 CO 0.14 0.07 0.00 0.61 0.00 0.00 0.00 178.15 178.97 3i8a n GLY 51 N -0.79 2.51 3.41 5.37 0.00 -0.01 -5.02 105.19 110.66 3i8a n GLY 51 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 3i8a n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i8a s LYS 52 N -0.22 1.05 0.70 1.61 -2.85 -1.26 -5.00 119.74 113.76 3i8a s LYS 52 Ca 0.00 -0.19 -0.16 0.00 -1.00 0.00 0.00 55.97 54.61 3i8a s LYS 52 Cb 0.00 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.27 3i8a s LYS 52 CO 0.00 -0.38 1.25 -1.25 0.10 0.00 0.00 175.35 175.07 3i8a s PRO 53 N -2.37 2.27 0.08 1.78 0.04 -1.26 -4.96 135.00 130.58 3i8a s PRO 53 Ca -0.06 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 3i8a s PRO 53 Cb -0.01 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 3i8a s PRO 53 CO -0.01 -1.77 0.95 -0.51 0.04 0.00 0.00 177.00 175.70 3i8a s LEU 54 N -4.84 4.47 0.71 -3.56 1.43 -1.26 -5.01 118.68 110.61 3i8a s LEU 54 Ca 0.78 1.74 -0.15 0.00 -1.03 0.00 0.00 54.13 55.47 3i8a s LEU 54 Cb -0.33 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.35 3i8a s LEU 54 CO 0.43 -0.10 1.19 -2.84 0.23 0.00 0.00 176.35 175.26 3i8a s PRO 55 N 0.21 2.32 -1.09 1.29 0.02 -1.26 -4.10 135.00 132.39 3i8a s PRO 55 Ca 0.47 1.71 -0.06 0.00 0.02 0.00 0.00 61.00 63.15 3i8a s PRO 55 Cb -0.23 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.44 3i8a s PRO 55 CO 0.29 -1.69 0.75 0.09 -0.33 0.00 0.00 177.00 176.11 3i8a n ASN 56 N -2.56 -5.25 -3.53 2.53 5.03 -1.26 -4.91 115.26 105.30 3i8a n ASN 56 Ca 0.13 -0.34 -0.07 0.00 0.87 0.00 0.00 54.58 55.16 3i8a n ASN 56 Cb 0.50 -3.94 -0.02 0.00 -1.02 0.00 0.00 39.78 35.30 3i8a n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i8a s ARG 57 N -5.79 0.74 -0.05 3.52 1.70 -1.26 -0.01 118.95 117.80 3i8a s ARG 57 Ca 0.37 -0.28 -0.30 0.00 -0.47 0.00 0.00 55.73 55.05 3i8a s ARG 57 Cb -0.16 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 3i8a s ARG 57 CO 0.46 -0.32 1.29 0.50 -1.08 0.00 0.00 175.30 176.14 3i8a s ARG 58 N -2.99 4.31 -0.28 3.89 3.52 0.47 -4.89 118.95 122.98 3i8a s ARG 58 Ca 0.06 1.78 -0.10 0.00 -0.13 0.00 0.00 55.73 57.35 3i8a s ARG 58 Cb -0.01 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 3i8a s ARG 58 CO -0.08 -0.54 0.15 -0.80 -0.81 0.00 0.00 175.30 173.22 3i8a s ASN 59 N 1.73 5.64 -0.16 -2.12 0.01 -1.26 -1.02 114.94 117.76 3i8a s ASN 59 Ca 0.59 -0.20 -0.00 0.00 -0.71 0.00 0.00 52.86 52.54 3i8a s ASN 59 Cb -0.27 -2.03 -0.00 0.00 0.41 0.00 0.00 41.25 39.36 3i8a s ASN 59 CO 0.23 -0.08 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.91 3i8a s VAL 60 N 1.68 2.80 -0.14 1.60 1.01 0.45 -1.11 120.40 126.69 3i8a s VAL 60 Ca 0.06 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 3i8a s VAL 60 Cb -0.16 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3i8a s VAL 60 CO 0.08 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 174.90 3i8a s VAL 61 N 0.85 3.35 -0.24 2.92 1.01 0.38 -1.24 120.40 127.43 3i8a s VAL 61 Ca -0.04 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 3i8a s VAL 61 Cb -0.15 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3i8a s VAL 61 CO -0.00 0.51 0.39 -0.22 0.00 0.00 0.00 175.10 175.78 3i8a s LEU 62 N 0.43 4.08 -0.06 3.92 2.96 0.23 -1.38 118.68 128.86 3i8a s LEU 62 Ca -0.08 0.40 -0.24 0.00 -0.22 0.00 0.00 54.13 53.99 3i8a s LEU 62 Cb -0.15 -2.48 0.05 0.00 0.50 0.00 0.00 46.19 44.11 3i8a s LEU 62 CO 0.04 -0.15 0.54 0.28 -1.32 0.00 0.00 176.35 175.74 3i8a s THR 63 N 1.79 0.02 -2.07 3.68 -1.32 -0.89 -1.78 115.64 115.07 3i8a s THR 63 Ca 0.17 -0.16 0.31 0.00 -1.21 0.00 0.00 61.69 60.81 3i8a s THR 63 Cb -0.15 -0.84 0.85 0.00 -1.51 0.00 0.00 72.50 70.84 3i8a s THR 63 CO 0.09 -0.09 2.15 -1.54 -2.21 0.00 0.00 174.62 173.02 3i8a n SER 64 N 1.31 0.24 -4.58 8.08 3.41 -1.26 -4.13 113.62 116.69 3i8a n SER 64 Ca -0.19 -1.07 -0.42 0.00 -0.26 0.00 0.00 58.87 56.93 3i8a n SER 64 Cb 0.57 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 3i8a n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i8a s ASP 65 N -2.01 6.15 0.29 4.04 3.68 -1.26 -4.88 116.67 122.69 3i8a s ASP 65 Ca 0.46 0.49 0.25 0.00 2.13 0.00 0.00 52.55 55.88 3i8a s ASP 65 Cb 0.22 -2.54 1.02 0.00 -1.45 0.00 0.00 42.92 40.17 3i8a s ASP 65 CO 0.37 -1.65 1.75 0.71 0.13 0.00 0.00 175.17 176.48 3i8a h THR 66 N 6.44 0.00 -0.01 1.71 1.35 -2.02 -2.35 112.91 118.04 3i8a h THR 66 Ca -0.27 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3i8a h THR 66 Cb 1.10 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3i8a h THR 66 CO 1.15 0.00 -0.15 -1.20 -0.25 0.00 0.00 175.52 175.07 3i8a n SER 67 N -2.35 1.26 -4.65 5.36 7.64 -1.26 -4.92 113.62 114.69 3i8a n SER 67 Ca 0.02 -1.16 -0.43 0.00 1.01 0.00 0.00 58.87 58.31 3i8a n SER 67 Cb 0.25 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 3i8a n SER 67 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3i8a s PHE 68 N -2.28 2.16 -0.49 1.43 5.36 -0.89 -4.90 117.98 118.38 3i8a s PHE 68 Ca 0.30 0.46 0.06 0.00 -0.96 0.00 0.00 56.93 56.79 3i8a s PHE 68 Cb 0.20 -3.87 0.20 0.00 -0.34 0.00 0.00 43.02 39.21 3i8a s PHE 68 CO 0.44 -3.16 0.70 -1.71 -1.46 0.00 0.00 175.22 170.03 3i8a n ASN 69 N 7.54 -2.71 -4.81 6.13 4.05 -1.26 -4.95 115.26 119.25 3i8a n ASN 69 Ca 0.17 -2.92 -0.38 0.00 0.45 0.00 0.00 54.58 51.90 3i8a n ASN 69 Cb 0.44 1.32 -0.06 0.00 1.23 0.00 0.00 39.78 42.71 3i8a n ASN 69 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3i8a s VAL 70 N 0.60 5.00 -0.11 3.44 1.01 -1.26 -5.03 120.40 124.04 3i8a s VAL 70 Ca 0.31 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.95 3i8a s VAL 70 Cb 0.07 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3i8a s VAL 70 CO -0.12 0.52 1.97 -0.70 0.00 0.00 0.00 175.10 176.77 3i8a s GLU 71 N -0.72 3.71 0.00 2.72 -6.30 -1.26 -2.21 118.70 114.65 3i8a s GLU 71 Ca 0.25 2.19 0.00 0.00 -2.50 0.00 0.00 54.97 54.91 3i8a s GLU 71 Cb -0.17 -4.21 0.00 0.00 0.00 0.00 0.00 34.13 29.75 3i8a s GLU 71 CO 0.14 -1.44 0.00 0.41 0.02 0.00 0.00 175.26 174.39 3i8a n GLY 72 N 4.99 0.82 3.18 -1.50 0.00 -1.26 -4.86 105.19 106.55 3i8a n GLY 72 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 3i8a n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8a s VAL 73 N -2.11 1.42 -0.05 1.61 1.01 -0.94 -4.51 120.40 116.82 3i8a s VAL 73 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3i8a s VAL 73 Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3i8a s VAL 73 CO 0.00 0.37 0.12 -1.81 0.00 0.00 0.00 175.10 173.78 3i8a s ASP 74 N -0.50 6.05 -0.03 3.32 1.01 -0.27 -4.60 116.67 121.66 3i8a s ASP 74 Ca 0.07 0.31 0.06 0.00 0.71 0.00 0.00 52.55 53.70 3i8a s ASP 74 Cb -0.07 -1.86 -0.02 0.00 1.01 0.00 0.00 42.92 41.98 3i8a s ASP 74 CO -0.00 0.33 -0.21 -0.69 0.21 0.00 0.00 175.17 174.80 3i8a s VAL 75 N -1.14 2.46 0.07 -1.27 1.01 -1.26 -0.47 120.40 119.80 3i8a s VAL 75 Ca 0.20 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3i8a s VAL 75 Cb -0.12 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3i8a s VAL 75 CO 0.10 0.57 -0.14 0.27 0.00 0.00 0.00 175.10 175.90 3i8a s ILE 76 N -0.67 1.09 -0.70 2.22 -4.36 -0.48 -4.94 121.20 113.36 3i8a s ILE 76 Ca 0.11 -1.28 0.06 0.00 -0.26 0.00 0.00 60.65 59.27 3i8a s ILE 76 Cb -0.10 -1.05 0.05 0.00 1.25 0.00 0.00 42.46 42.60 3i8a s ILE 76 CO -0.00 -0.22 0.69 1.41 0.24 0.00 0.00 174.94 177.06 3i8a n HIS 77 N 1.31 0.01 -3.83 1.37 8.25 -1.26 -2.09 115.22 118.97 3i8a n HIS 77 Ca -0.21 -0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.12 3i8a n HIS 77 Cb 0.54 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.54 3i8a n HIS 77 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i8a s SER 78 N -0.49 -0.10 0.25 0.41 0.15 -1.26 -4.77 113.70 107.89 3i8a s SER 78 Ca 0.07 0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.80 3i8a s SER 78 Cb 0.05 0.30 0.46 0.00 -1.71 0.00 0.00 66.02 65.11 3i8a s SER 78 CO 0.07 -0.20 1.74 -0.29 1.20 0.00 0.00 173.24 175.77 3i8a h ILE 79 N 4.59 0.70 0.00 6.45 6.09 -2.00 -2.51 117.51 130.83 3i8a h ILE 79 Ca -0.28 -0.17 -0.00 0.00 -1.37 0.00 0.00 64.86 63.04 3i8a h ILE 79 Cb 1.20 0.15 -0.00 0.00 0.47 0.00 0.00 36.82 38.64 3i8a h ILE 79 CO 0.40 0.09 -0.01 -0.33 -3.07 0.00 0.00 178.15 175.24 3i8a h GLU 80 N 0.51 0.00 0.00 2.19 4.39 -2.03 -1.00 114.58 118.64 3i8a h GLU 80 Ca 0.41 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.10 3i8a h GLU 80 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3i8a h GLU 80 CO -0.37 0.01 -0.08 -0.44 -1.16 0.00 0.00 179.01 176.96 3i8a h ASP 81 N 0.00 0.00 -0.78 1.42 3.32 -1.87 -2.82 116.42 115.69 3i8a h ASP 81 Ca -0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3i8a h ASP 81 Cb 0.03 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 3i8a h ASP 81 CO 0.00 0.08 0.50 0.40 -1.72 0.00 0.00 179.24 178.50 3i8a h ILE 82 N 0.00 1.13 0.00 0.35 2.04 -1.33 -2.56 117.51 117.13 3i8a h ILE 82 Ca -0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3i8a h ILE 82 Cb 0.44 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3i8a h ILE 82 CO 0.01 0.18 0.00 -1.22 0.00 0.00 0.00 178.15 177.12 3i8a n TYR 83 N -4.60 0.00 0.75 1.37 4.01 -1.06 -1.47 117.16 116.16 3i8a n TYR 83 Ca 0.09 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.94 3i8a n TYR 83 Cb 0.08 -0.40 -0.05 0.00 -0.31 0.00 0.00 39.34 38.66 3i8a n TYR 83 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3i8a n GLN 84 N -1.40 0.17 -2.21 -0.72 1.13 -0.97 -4.91 117.38 108.47 3i8a n GLN 84 Ca 0.04 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 3i8a n GLN 84 Cb 0.11 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 3i8a n GLN 84 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i8a s LEU 85 N -3.44 4.31 0.61 1.08 1.43 -0.54 -4.99 118.68 117.13 3i8a s LEU 85 Ca 0.05 2.12 -0.14 0.00 -1.03 0.00 0.00 54.13 55.13 3i8a s LEU 85 Cb 0.15 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3i8a s LEU 85 CO 0.84 -0.74 1.04 -2.16 0.23 0.00 0.00 176.35 175.56 3i8a s PRO 86 N 2.53 3.39 1.15 1.29 0.04 -1.26 -4.94 135.00 137.20 3i8a s PRO 86 Ca 0.64 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3i8a s PRO 86 Cb -0.31 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3i8a s PRO 86 CO 0.26 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.97 3i8a n GLY 87 N -1.55 -0.52 3.54 0.56 0.00 -1.26 -4.76 105.19 101.19 3i8a n GLY 87 Ca 0.08 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 3i8a n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i8a s HIS 88 N 0.00 3.20 -0.20 1.61 5.65 -1.26 -3.16 115.29 121.14 3i8a s HIS 88 Ca 0.00 -0.07 -0.05 0.00 0.25 0.00 0.00 55.06 55.19 3i8a s HIS 88 Cb 0.00 -2.70 -0.02 0.00 -1.18 0.00 0.00 32.58 28.67 3i8a s HIS 88 CO 0.00 -0.47 0.01 0.08 -0.65 0.00 0.00 174.74 173.71 3i8a s VAL 89 N 2.04 3.99 -0.26 0.89 1.01 -0.26 -1.84 120.40 125.97 3i8a s VAL 89 Ca 0.12 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 3i8a s VAL 89 Cb -0.17 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3i8a s VAL 89 CO 0.12 0.42 0.07 -0.36 0.00 0.00 0.00 175.10 175.35 3i8a s PHE 90 N 1.02 3.09 -0.28 5.22 0.08 0.14 -0.72 117.98 126.52 3i8a s PHE 90 Ca 0.02 -0.57 -0.29 0.00 0.12 0.00 0.00 56.93 56.21 3i8a s PHE 90 Cb -0.14 -2.24 -0.02 0.00 -0.57 0.00 0.00 43.02 40.05 3i8a s PHE 90 CO 0.02 -0.42 1.64 0.42 -0.10 0.00 0.00 175.22 176.77 3i8a s ILE 91 N 1.59 3.67 -1.71 0.64 -1.09 0.14 -0.44 121.20 124.00 3i8a s ILE 91 Ca 0.06 0.72 0.18 0.00 -2.23 0.00 0.00 60.65 59.38 3i8a s ILE 91 Cb -0.16 -3.77 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 3i8a s ILE 91 CO 0.03 -0.40 0.93 0.33 -1.23 0.00 0.00 174.94 174.61 3i8a n PHE 92 N 9.02 0.00 0.00 3.97 -0.00 0.14 -1.16 117.46 129.44 3i8a n PHE 92 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 3i8a n PHE 92 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.94 3i8a n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i8a n GLY 93 N 1.18 -0.51 0.00 7.13 0.00 -1.24 -4.92 105.19 106.82 3i8a n GLY 93 Ca 0.08 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.86 3i8a n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8a n GLY 94 N -0.17 1.53 0.23 -0.02 0.00 -1.26 -0.14 105.19 105.36 3i8a n GLY 94 Ca 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 3i8a n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i8a h GLN 95 N 0.00 0.01 -0.83 1.61 4.15 -1.97 -1.63 115.11 116.44 3i8a h GLN 95 Ca 0.00 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.44 3i8a h GLN 95 Cb 0.00 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 3i8a h GLN 95 CO 0.00 0.00 0.55 1.79 -1.93 0.00 0.00 178.83 179.24 3i8a h THR 96 N 0.01 1.19 -0.22 2.39 1.35 -1.93 -1.44 112.91 114.26 3i8a h THR 96 Ca 0.29 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3i8a h THR 96 Cb 0.44 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.84 3i8a h THR 96 CO -0.61 0.20 0.14 -0.07 -0.25 0.00 0.00 175.52 174.94 3i8a h LEU 97 N 1.10 0.24 -0.89 3.87 -0.00 -1.59 -1.56 115.31 116.48 3i8a h LEU 97 Ca 0.31 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.15 3i8a h LEU 97 Cb -0.09 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 40.48 3i8a h LEU 97 CO -0.08 0.18 0.36 1.88 -0.00 0.00 0.00 178.44 180.78 3i8a h TYR 98 N 0.29 1.17 -0.43 1.13 0.05 -0.99 0.21 116.97 118.39 3i8a h TYR 98 Ca 0.08 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 3i8a h TYR 98 Cb -0.03 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.34 3i8a h TYR 98 CO -0.07 0.86 -0.05 0.93 -1.05 0.00 0.00 178.16 178.78 3i8a h GLU 99 N 1.15 0.80 0.00 4.88 5.08 -1.11 1.00 114.58 126.38 3i8a h GLU 99 Ca 0.27 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3i8a h GLU 99 Cb 0.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3i8a h GLU 99 CO -0.03 0.89 -0.46 0.93 -1.00 0.00 0.00 179.01 179.34 3i8a h GLU 100 N 0.63 0.00 0.00 2.33 5.08 -0.95 -3.35 114.58 118.33 3i8a h GLU 100 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3i8a h GLU 100 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3i8a h GLU 100 CO 0.03 0.46 -1.14 -1.33 -1.00 0.00 0.00 179.01 176.03 3i8a n MET 101 N -3.75 1.49 -0.25 2.33 2.81 0.03 -4.68 117.12 115.10 3i8a n MET 101 Ca -0.01 -0.06 0.13 0.00 -1.81 0.00 0.00 57.70 55.95 3i8a n MET 101 Cb 0.52 -1.23 0.41 0.00 -0.71 0.00 0.00 33.22 32.21 3i8a n MET 101 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3i8a h ILE 102 N 0.00 0.81 -0.10 2.02 2.10 -0.94 -0.73 117.51 120.69 3i8a h ILE 102 Ca 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 3i8a h ILE 102 Cb 0.47 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.34 3i8a h ILE 102 CO 0.00 0.11 0.00 0.47 -1.08 0.00 0.00 178.15 177.65 3i8a n ASP 103 N -4.54 0.85 -0.00 2.19 8.00 -1.26 -3.93 116.55 117.85 3i8a n ASP 103 Ca 0.17 -1.63 0.01 0.00 0.71 0.00 0.00 54.79 54.05 3i8a n ASP 103 Cb 0.50 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.52 3i8a n ASP 103 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i8a n LYS 104 N -0.20 0.44 -2.46 -1.24 4.76 -0.30 -5.05 118.16 114.11 3i8a n LYS 104 Ca 0.14 -0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.21 3i8a n LYS 104 Cb 0.19 -1.04 -0.03 0.00 -1.84 0.00 0.00 35.03 32.31 3i8a n LYS 104 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3i8a s VAL 105 N -2.11 3.59 0.30 -0.18 -7.23 -1.06 -4.93 120.40 108.77 3i8a s VAL 105 Ca -0.01 1.04 0.18 0.00 -1.81 0.00 0.00 61.98 61.39 3i8a s VAL 105 Cb 0.01 -3.45 0.15 0.00 0.56 0.00 0.00 36.38 33.65 3i8a s VAL 105 CO 0.07 -0.16 1.83 0.44 -0.31 0.00 0.00 175.10 176.97 3i8a h ASP 106 N 1.68 0.00 -3.32 4.85 3.32 -1.39 -3.46 116.42 118.10 3i8a h ASP 106 Ca -0.49 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.61 3i8a h ASP 106 Cb 1.23 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.52 3i8a h ASP 106 CO 0.59 0.33 0.45 -0.62 -1.72 0.00 0.00 179.24 178.27 3i8a s ASP 107 N -6.57 -0.46 -0.03 6.45 3.68 -1.23 -2.07 116.67 116.44 3i8a s ASP 107 Ca -0.02 0.85 0.01 0.00 2.13 0.00 0.00 52.55 55.53 3i8a s ASP 107 Cb 0.13 0.86 0.01 0.00 -1.45 0.00 0.00 42.92 42.46 3i8a s ASP 107 CO 0.68 -0.17 -0.05 -0.04 0.13 0.00 0.00 175.17 175.72 3i8a s MET 108 N 0.12 0.67 -0.34 4.34 -1.94 -0.09 -0.71 119.30 121.34 3i8a s MET 108 Ca 0.03 -0.15 -0.09 0.00 -1.71 0.00 0.00 55.69 53.76 3i8a s MET 108 Cb -0.05 -0.67 0.03 0.00 2.01 0.00 0.00 34.83 36.15 3i8a s MET 108 CO -0.05 0.02 0.15 0.71 -0.01 0.00 0.00 175.02 175.83 3i8a s TYR 109 N 0.43 3.23 -0.14 -0.03 1.51 0.43 -0.68 117.35 122.09 3i8a s TYR 109 Ca -0.05 -1.09 0.02 0.00 -1.01 0.00 0.00 57.07 54.94 3i8a s TYR 109 Cb -0.09 -2.35 0.01 0.00 -0.11 0.00 0.00 41.96 39.42 3i8a s TYR 109 CO -0.00 -0.65 -0.21 0.42 -1.11 0.00 0.00 175.55 174.00 3i8a s ILE 110 N 1.50 2.18 -0.44 2.71 1.01 -0.44 -1.46 121.20 126.25 3i8a s ILE 110 Ca 0.01 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 3i8a s ILE 110 Cb -0.19 -1.88 0.03 0.00 0.01 0.00 0.00 42.46 40.43 3i8a s ILE 110 CO 0.05 0.54 0.51 -0.89 0.00 0.00 0.00 174.94 175.15 3i8a s THR 111 N 0.81 5.00 -0.26 2.92 2.01 -0.04 0.53 115.64 126.60 3i8a s THR 111 Ca -0.07 -0.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.37 3i8a s THR 111 Cb -0.16 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.23 3i8a s THR 111 CO -0.01 -0.53 0.93 -0.69 -0.69 0.00 0.00 174.62 173.62 3i8a s VAL 112 N 2.36 4.73 -0.40 3.82 1.01 -0.02 -1.10 120.40 130.79 3i8a s VAL 112 Ca 0.15 1.67 -0.18 0.00 0.00 0.00 0.00 61.98 63.62 3i8a s VAL 112 Cb -0.17 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.99 3i8a s VAL 112 CO 0.14 -0.21 0.49 -0.63 0.00 0.00 0.00 175.10 174.90 3i8a s ILE 113 N 3.11 5.02 -0.73 2.22 -1.09 0.44 -0.86 121.20 129.30 3i8a s ILE 113 Ca 0.39 -0.07 -0.07 0.00 -2.23 0.00 0.00 60.65 58.67 3i8a s ILE 113 Cb -0.14 -4.04 -0.17 0.00 -1.58 0.00 0.00 42.46 36.53 3i8a s ILE 113 CO 0.09 -0.39 3.08 -0.62 -1.23 0.00 0.00 174.94 175.87 3i8a n GLU 114 N 5.76 2.59 -4.00 2.79 1.02 0.87 -2.65 120.64 127.03 3i8a n GLU 114 Ca -0.06 -1.47 -0.10 0.00 -0.02 0.00 0.00 57.16 55.51 3i8a n GLU 114 Cb 0.48 -2.34 -0.07 0.00 -0.02 0.00 0.00 31.44 29.50 3i8a n GLU 114 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i8a s GLY 115 N 2.25 0.61 -0.31 0.62 0.00 -1.26 -4.67 107.32 104.55 3i8a s GLY 115 Ca 0.62 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 44.35 3i8a s GLY 115 CO -0.03 -0.80 0.04 0.54 0.00 0.00 0.00 173.10 172.85 3i8a s LYS 116 N -4.01 2.49 0.12 2.90 1.02 -1.26 -2.53 119.74 118.47 3i8a s LYS 116 Ca 0.22 -1.25 0.05 0.00 0.02 0.00 0.00 55.97 55.02 3i8a s LYS 116 Cb 0.02 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 3i8a s LYS 116 CO 0.05 -0.64 0.03 -0.06 -0.92 0.00 0.00 175.35 173.81 3i8a s PHE 117 N 1.30 3.00 0.03 3.18 0.08 -1.26 -5.08 117.98 119.23 3i8a s PHE 117 Ca -0.04 -0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.67 3i8a s PHE 117 Cb -0.20 -1.50 -0.08 0.00 -0.57 0.00 0.00 43.02 40.67 3i8a s PHE 117 CO 0.00 0.50 1.86 0.50 -0.10 0.00 0.00 175.22 177.98 3i8a s ARG 118 N -2.61 4.15 0.14 0.44 3.52 -1.26 -4.95 118.95 118.38 3i8a s ARG 118 Ca 0.27 2.50 0.04 0.00 -0.13 0.00 0.00 55.73 58.41 3i8a s ARG 118 Cb -0.11 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.20 3i8a s ARG 118 CO 0.20 -0.91 -0.08 0.20 -0.81 0.00 0.00 175.30 173.90 3i8a s GLY 119 N 3.89 1.02 0.00 8.12 0.00 -1.26 -4.65 107.32 114.44 3i8a s GLY 119 Ca 0.83 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 44.08 3i8a s GLY 119 CO 0.38 -1.56 0.37 2.09 0.00 0.00 0.00 173.10 174.37 3i8a n ASP 120 N -0.17 0.72 -3.99 1.64 3.85 -0.46 -4.97 116.55 113.17 3i8a n ASP 120 Ca -0.10 -1.04 -0.14 0.00 -0.71 0.00 0.00 54.79 52.80 3i8a n ASP 120 Cb 0.61 0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 40.25 3i8a n ASP 120 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3i8a s THR 121 N -0.04 0.39 0.09 2.12 -4.23 -1.16 -5.02 115.64 107.79 3i8a s THR 121 Ca 0.00 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 3i8a s THR 121 Cb 0.00 -0.40 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 3i8a s THR 121 CO 0.00 -0.14 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.44 3i8a s PHE 122 N -0.70 1.27 0.20 3.99 0.08 -1.26 -1.15 117.98 120.41 3i8a s PHE 122 Ca -0.04 -0.50 -0.28 0.00 0.12 0.00 0.00 56.93 56.23 3i8a s PHE 122 Cb -0.06 -0.70 -0.08 0.00 -0.57 0.00 0.00 43.02 41.61 3i8a s PHE 122 CO -0.00 0.08 0.88 0.12 -0.10 0.00 0.00 175.22 176.20 3i8a s PHE 123 N -1.58 3.94 0.67 0.36 5.36 0.11 -4.58 117.98 122.26 3i8a s PHE 123 Ca 0.02 1.79 -0.17 0.00 -0.96 0.00 0.00 56.93 57.61 3i8a s PHE 123 Cb -0.08 -2.90 0.01 0.00 -0.34 0.00 0.00 43.02 39.70 3i8a s PHE 123 CO 0.02 0.45 1.22 -1.25 -1.46 0.00 0.00 175.22 174.21 3i8a s PRO 124 N -1.04 2.48 0.34 10.12 0.04 -1.26 -4.88 135.00 140.80 3i8a s PRO 124 Ca 0.39 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 3i8a s PRO 124 Cb -0.25 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 3i8a s PRO 124 CO 0.29 -1.59 1.56 -2.14 0.04 0.00 0.00 177.00 175.16 3i8a s PRO 125 N -3.63 4.10 0.03 0.56 0.02 -1.26 -5.03 135.00 129.79 3i8a s PRO 125 Ca 0.77 2.60 -0.01 0.00 0.02 0.00 0.00 61.00 64.38 3i8a s PRO 125 Cb -0.31 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 3i8a s PRO 125 CO 0.40 -0.61 -0.02 1.52 -0.33 0.00 0.00 177.00 177.96 3i8a s TYR 126 N -0.53 0.37 -0.06 6.54 -0.85 -1.26 -5.17 117.35 116.40 3i8a s TYR 126 Ca 0.59 -0.77 0.02 0.00 -0.52 0.00 0.00 57.07 56.39 3i8a s TYR 126 Cb -0.48 -0.28 -0.03 0.00 0.38 0.00 0.00 41.96 41.56 3i8a s TYR 126 CO 0.56 -0.28 -0.11 -0.08 -1.52 0.00 0.00 175.55 174.11 3i8a s THR 127 N -2.63 3.33 -2.00 -3.49 -1.32 -1.26 -4.99 115.64 103.28 3i8a s THR 127 Ca -0.05 -0.62 0.09 0.00 -1.21 0.00 0.00 61.69 59.90 3i8a s THR 127 Cb -0.01 -2.33 0.25 0.00 -1.51 0.00 0.00 72.50 68.90 3i8a s THR 127 CO -0.05 0.59 0.95 0.49 -2.21 0.00 0.00 174.62 174.39 3i8a n PHE 128 N 2.31 0.00 1.18 9.09 3.72 -1.26 -1.85 117.46 130.65 3i8a n PHE 128 Ca -0.17 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.35 3i8a n PHE 128 Cb 0.52 0.00 0.29 0.00 -0.94 0.00 0.00 39.48 39.36 3i8a n PHE 128 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3i8a n GLU 129 N -0.90 0.85 -0.00 -1.08 1.02 -1.26 -3.68 120.64 115.57 3i8a n GLU 129 Ca 0.07 -0.55 0.09 0.00 -0.02 0.00 0.00 57.16 56.75 3i8a n GLU 129 Cb 0.03 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 29.84 3i8a n GLU 129 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i8a n ASP 130 N -0.60 0.81 -3.92 1.62 10.43 -0.77 -4.93 116.55 119.19 3i8a n ASP 130 Ca 0.11 -0.75 -0.24 0.00 2.57 0.00 0.00 54.79 56.48 3i8a n ASP 130 Cb 0.37 1.19 -0.17 0.00 1.84 0.00 0.00 41.12 44.35 3i8a n ASP 130 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3i8a s TRP 131 N -2.94 1.17 -0.04 1.24 0.52 -1.24 0.39 118.94 118.03 3i8a s TRP 131 Ca 0.04 -0.45 -0.17 0.00 0.02 0.00 0.00 56.10 55.54 3i8a s TRP 131 Cb 0.14 -0.96 -0.05 0.00 -1.15 0.00 0.00 33.47 31.45 3i8a s TRP 131 CO 0.80 -0.32 0.46 -2.00 0.02 0.00 0.00 176.95 175.90 3i8a s GLU 132 N 1.17 4.14 -0.70 4.98 2.12 0.17 -4.75 118.70 125.83 3i8a s GLU 132 Ca -0.06 0.47 -0.27 0.00 0.36 0.00 0.00 54.97 55.46 3i8a s GLU 132 Cb -0.14 -3.32 0.03 0.00 0.26 0.00 0.00 34.13 30.96 3i8a s GLU 132 CO -0.02 0.45 1.25 0.08 -0.54 0.00 0.00 175.26 176.49 3i8a s VAL 133 N -0.34 3.80 0.14 3.70 1.01 -1.26 -1.32 120.40 126.13 3i8a s VAL 133 Ca 0.25 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 3i8a s VAL 133 Cb -0.16 -4.87 -0.18 0.00 0.00 0.00 0.00 36.38 31.16 3i8a s VAL 133 CO 0.13 -1.74 1.31 0.00 0.00 0.00 0.00 175.10 174.80 3i8a h ALA 134 N 9.91 0.39 -2.22 5.51 0.00 -1.21 -3.46 119.26 128.17 3i8a h ALA 134 Ca -0.27 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 53.82 3i8a h ALA 134 Cb 1.05 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.61 3i8a h ALA 134 CO 1.26 0.88 0.03 -1.54 0.00 0.00 0.00 179.25 179.88 3i8a s SER 135 N -7.03 -0.49 -0.21 0.00 1.04 -1.15 -4.98 113.70 100.89 3i8a s SER 135 Ca -0.04 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.80 3i8a s SER 135 Cb 0.09 0.47 0.08 0.00 0.10 0.00 0.00 66.02 66.76 3i8a s SER 135 CO 0.85 -0.58 0.15 -0.55 0.98 0.00 0.00 173.24 174.09 3i8a s SER 136 N -1.35 2.24 -0.19 7.02 0.15 -1.26 -1.73 113.70 118.58 3i8a s SER 136 Ca -0.11 -0.63 -0.01 0.00 0.70 0.00 0.00 55.95 55.90 3i8a s SER 136 Cb -0.02 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 3i8a s SER 136 CO 0.07 -0.36 -0.13 -0.69 1.20 0.00 0.00 173.24 173.32 3i8a s VAL 137 N 2.20 2.69 0.19 4.45 1.01 -0.46 -4.98 120.40 125.50 3i8a s VAL 137 Ca 0.05 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 3i8a s VAL 137 Cb -0.16 -2.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.95 3i8a s VAL 137 CO -0.16 0.49 1.52 -0.70 0.00 0.00 0.00 175.10 176.24 3i8a s GLU 138 N 1.28 4.23 0.46 2.72 2.12 -1.26 -0.69 118.70 127.56 3i8a s GLU 138 Ca 0.04 2.33 -0.20 0.00 0.36 0.00 0.00 54.97 57.49 3i8a s GLU 138 Cb -0.14 -3.14 -0.10 0.00 0.26 0.00 0.00 34.13 31.01 3i8a s GLU 138 CO -0.07 -0.54 0.98 0.20 -0.54 0.00 0.00 175.26 175.29 3i8a s GLY 139 N 0.90 2.41 -0.35 -1.50 0.00 0.24 -4.90 107.32 104.13 3i8a s GLY 139 Ca 0.66 0.46 -0.29 0.00 0.00 0.00 0.00 44.72 45.55 3i8a s GLY 139 CO 0.35 0.75 1.28 0.54 0.00 0.00 0.00 173.10 176.02 3i8a s LYS 140 N -3.25 3.84 0.49 2.90 1.02 -1.26 -4.65 119.74 118.81 3i8a s LYS 140 Ca 0.64 1.08 -0.22 0.00 0.02 0.00 0.00 55.97 57.49 3i8a s LYS 140 Cb -0.12 -3.90 -0.07 0.00 -0.52 0.00 0.00 37.83 33.23 3i8a s LYS 140 CO 0.17 -1.22 1.17 -1.17 -0.92 0.00 0.00 175.35 173.37 3i8a s LEU 141 N 4.52 3.93 0.19 3.17 2.96 -1.26 -4.83 118.68 127.36 3i8a s LEU 141 Ca 0.55 2.30 -0.17 0.00 -0.22 0.00 0.00 54.13 56.59 3i8a s LEU 141 Cb -0.14 -4.33 0.03 0.00 0.50 0.00 0.00 46.19 42.24 3i8a s LEU 141 CO 0.25 -1.04 0.50 -0.62 -1.32 0.00 0.00 176.35 174.13 3i8a s ASP 142 N -1.44 -0.24 0.13 3.68 2.15 0.15 -4.96 116.67 116.13 3i8a s ASP 142 Ca 0.66 -0.49 -0.33 0.00 0.43 0.00 0.00 52.55 52.82 3i8a s ASP 142 Cb -0.28 0.56 -0.12 0.00 -0.30 0.00 0.00 42.92 42.79 3i8a s ASP 142 CO 0.33 -1.03 1.55 -0.33 -0.17 0.00 0.00 175.17 175.53 3i8a h GLU 143 N 2.23 -0.45 -0.01 4.34 5.08 -2.00 -3.28 114.58 120.49 3i8a h GLU 143 Ca -0.29 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3i8a h GLU 143 Cb 1.26 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3i8a h GLU 143 CO 0.39 -0.30 -0.30 1.63 -1.00 0.00 0.00 179.01 179.42 3i8a n LYS 144 N -5.40 0.82 -3.59 2.33 5.02 -1.26 -4.67 118.16 111.41 3i8a n LYS 144 Ca -0.04 -0.51 -0.29 0.00 -2.02 0.00 0.00 58.31 55.44 3i8a n LYS 144 Cb 0.36 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.74 3i8a n LYS 144 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3i8a s ASN 145 N -2.53 3.50 0.00 4.39 0.01 -1.23 -4.51 114.94 114.56 3i8a s ASN 145 Ca 0.23 -1.90 0.12 0.00 -0.71 0.00 0.00 52.86 50.61 3i8a s ASN 145 Cb 0.19 -0.61 0.11 0.00 0.41 0.00 0.00 41.25 41.35 3i8a s ASN 145 CO 0.54 -0.36 0.91 0.35 -1.51 0.00 0.00 177.10 177.03 3i8a n THR 146 N 4.47 0.03 -4.20 1.60 -2.24 -1.26 0.30 114.28 112.98 3i8a n THR 146 Ca 0.03 -0.52 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 3i8a n THR 146 Cb 0.39 1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 3i8a n THR 146 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i8a s ILE 147 N -1.04 4.51 0.35 2.28 1.09 -1.26 -4.91 121.20 122.21 3i8a s ILE 147 Ca 0.15 -0.15 -0.29 0.00 -1.10 0.00 0.00 60.65 59.26 3i8a s ILE 147 Cb 0.11 -2.97 -0.11 0.00 -1.06 0.00 0.00 42.46 38.42 3i8a s ILE 147 CO 0.16 0.53 1.51 -2.65 -0.10 0.00 0.00 174.94 174.39 3i8a n PRO 148 N 2.91 2.64 -3.71 2.79 -0.02 -1.26 -4.88 135.00 133.46 3i8a n PRO 148 Ca -0.18 0.93 -0.14 0.00 -2.02 0.00 0.00 63.50 62.09 3i8a n PRO 148 Cb 0.53 -2.67 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 3i8a n PRO 148 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3i8a s HIS 149 N -0.74 -0.35 -0.08 6.00 -3.43 -1.26 -0.09 115.29 115.33 3i8a s HIS 149 Ca 0.57 0.70 0.01 0.00 -0.80 0.00 0.00 55.06 55.54 3i8a s HIS 149 Cb -0.49 0.17 0.02 0.00 -1.43 0.00 0.00 32.58 30.85 3i8a s HIS 149 CO 0.59 -0.37 -0.10 0.99 -2.00 0.00 0.00 174.74 173.85 3i8a s THR 150 N -0.78 1.05 -0.26 -5.38 2.01 -0.04 0.83 115.64 113.06 3i8a s THR 150 Ca -0.09 -0.37 -0.22 0.00 0.31 0.00 0.00 61.69 61.32 3i8a s THR 150 Cb -0.04 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 3i8a s THR 150 CO 0.04 0.35 0.72 -0.36 -0.69 0.00 0.00 174.62 174.68 3i8a s PHE 151 N 1.14 3.27 -0.03 4.92 0.08 0.14 -0.84 117.98 126.65 3i8a s PHE 151 Ca -0.06 0.89 0.02 0.00 0.12 0.00 0.00 56.93 57.91 3i8a s PHE 151 Cb -0.14 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.29 3i8a s PHE 151 CO -0.02 -0.41 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.11 3i8a s LEU 152 N 2.70 3.14 -0.20 -0.37 1.43 0.19 -1.35 118.68 124.21 3i8a s LEU 152 Ca 0.30 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3i8a s LEU 152 Cb -0.15 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.36 3i8a s LEU 152 CO 0.09 0.32 -0.17 -2.28 0.23 0.00 0.00 176.35 174.54 3i8a s HIS 153 N -0.90 2.91 -0.06 0.29 5.65 -0.71 -1.33 115.29 121.14 3i8a s HIS 153 Ca 0.15 -1.85 0.03 0.00 0.25 0.00 0.00 55.06 53.64 3i8a s HIS 153 Cb -0.11 -1.91 -0.02 0.00 -1.18 0.00 0.00 32.58 29.36 3i8a s HIS 153 CO 0.04 -0.83 -0.15 -0.51 -0.65 0.00 0.00 174.74 172.65 3i8a s LEU 154 N 1.24 2.68 -0.06 8.88 1.02 0.14 -0.59 118.68 131.99 3i8a s LEU 154 Ca 0.01 -0.24 0.05 0.00 0.02 0.00 0.00 54.13 53.97 3i8a s LEU 154 Cb -0.15 -1.55 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 3i8a s LEU 154 CO -0.10 0.32 -0.22 -0.63 0.02 0.00 0.00 176.35 175.73 3i8a s ILE 155 N -0.55 1.85 0.19 -0.59 1.01 -0.43 -0.91 121.20 121.76 3i8a s ILE 155 Ca 0.08 -0.94 -0.33 0.00 0.00 0.00 0.00 60.65 59.46 3i8a s ILE 155 Cb -0.11 -1.58 -0.13 0.00 0.01 0.00 0.00 42.46 40.64 3i8a s ILE 155 CO 0.01 0.52 1.62 -1.14 0.00 0.00 0.00 174.94 175.95 3i8a n ARG 156 N 3.17 2.40 0.00 2.79 0.63 -0.88 -0.66 116.66 124.11 3i8a n ARG 156 Ca -0.18 0.86 0.11 0.00 -0.92 0.00 0.00 57.85 57.72 3i8a n ARG 156 Cb 0.52 -2.66 0.66 0.00 0.45 0.00 0.00 32.46 31.44 3i8a n ARG 156 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29