#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5i s LEU 3 N 0.00 4.01 0.02 0.00 2.96 0.23 -4.66 118.68 121.23 3g5i s LEU 3 Ca 0.00 1.24 -0.30 0.00 -0.22 0.00 0.00 54.13 54.85 3g5i s LEU 3 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 3g5i s LEU 3 CO 0.00 -0.82 1.33 -2.16 -1.32 0.00 0.00 176.35 173.38 3g5i s PRO 4 N 3.54 4.33 0.09 0.98 0.04 -1.26 -0.57 135.00 142.15 3g5i s PRO 4 Ca 0.47 1.89 0.06 0.00 0.04 0.00 0.00 61.00 63.46 3g5i s PRO 4 Cb -0.15 -3.48 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 3g5i s PRO 4 CO 0.13 -0.47 -0.16 0.96 0.04 0.00 0.00 177.00 177.50 3g5i s ILE 5 N 1.94 1.29 -0.19 0.56 -4.36 0.57 -1.35 121.20 119.66 3g5i s ILE 5 Ca 0.62 -1.43 -0.06 0.00 -0.26 0.00 0.00 60.65 59.52 3g5i s ILE 5 Cb -0.31 -1.27 -0.03 0.00 1.25 0.00 0.00 42.46 42.11 3g5i s ILE 5 CO 0.27 -0.22 0.02 -0.76 0.24 0.00 0.00 174.94 174.48 3g5i s LEU 6 N -1.90 3.41 -0.20 0.37 1.43 0.63 -0.07 118.68 122.34 3g5i s LEU 6 Ca 0.02 -0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 3g5i s LEU 6 Cb -0.09 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3g5i s LEU 6 CO 0.03 0.10 0.01 -0.22 0.23 0.00 0.00 176.35 176.49 3g5i s LEU 7 N 0.81 3.33 -0.11 1.79 2.96 -0.54 -0.77 118.68 126.15 3g5i s LEU 7 Ca 0.01 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3g5i s LEU 7 Cb -0.14 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3g5i s LEU 7 CO 0.02 0.08 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.35 3g5i s ASP 8 N 0.89 2.58 0.18 3.68 2.15 0.30 -0.43 116.67 126.01 3g5i s ASP 8 Ca 0.01 -0.46 -0.23 0.00 0.43 0.00 0.00 52.55 52.29 3g5i s ASP 8 Cb -0.14 -1.16 0.06 0.00 -0.30 0.00 0.00 42.92 41.37 3g5i s ASP 8 CO 0.02 0.03 0.74 0.00 -0.17 0.00 0.00 175.17 175.79 3g5i n ASP 10 N -0.40 1.86 -4.73 0.00 5.75 -1.26 -0.98 116.55 116.79 3g5i n ASP 10 Ca -0.10 -3.14 -0.42 0.00 -0.01 0.00 0.00 54.79 51.13 3g5i n ASP 10 Cb 0.62 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 3g5i n ASP 10 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 3g5i s PRO 11 N -2.36 4.19 0.00 0.11 0.02 -1.26 -4.36 135.00 131.34 3g5i s PRO 11 Ca 0.41 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.85 3g5i s PRO 11 Cb 0.26 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.67 3g5i s PRO 11 CO -0.09 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 3g5i n GLY 12 N 3.34 -2.54 0.24 0.52 0.00 0.12 -4.48 105.19 102.38 3g5i n GLY 12 Ca 0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 3g5i n GLY 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3g5i h HIS 13 N 0.00 0.74 -0.05 1.61 3.86 -1.90 -1.47 115.15 117.94 3g5i h HIS 13 Ca 0.00 0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 59.00 3g5i h HIS 13 Cb 0.00 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.23 3g5i h HIS 13 CO 0.00 0.48 -0.87 0.38 0.86 0.00 0.00 177.93 178.78 3g5i h ASP 14 N 0.78 0.65 -0.46 2.45 2.03 -1.97 -1.43 116.42 118.47 3g5i h ASP 14 Ca 0.21 -0.48 0.09 0.00 -0.73 0.00 0.00 57.03 56.12 3g5i h ASP 14 Cb -0.07 -0.20 -0.08 0.00 -0.83 0.00 0.00 39.33 38.16 3g5i h ASP 14 CO -0.04 1.26 -0.01 0.44 -1.03 0.00 0.00 179.24 179.86 3g5i h ASP 15 N 0.33 -0.21 -0.62 4.15 5.19 -1.88 0.55 116.42 123.93 3g5i h ASP 15 Ca -0.07 0.11 0.07 0.00 -0.62 0.00 0.00 57.03 56.52 3g5i h ASP 15 Cb 1.49 0.20 -0.06 0.00 0.18 0.00 0.00 39.33 41.14 3g5i h ASP 15 CO 0.16 -0.07 0.31 0.00 -3.12 0.00 0.00 179.24 176.52 3g5i h ALA 16 N 1.41 0.82 -0.06 3.45 0.00 -0.94 0.52 119.26 124.46 3g5i h ALA 16 Ca 0.23 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3g5i h ALA 16 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3g5i h ALA 16 CO -0.39 -0.05 -0.55 0.82 0.00 0.00 0.00 179.25 179.08 3g5i h ILE 17 N 0.56 1.38 -0.58 0.00 2.04 -0.77 -1.20 117.51 118.93 3g5i h ILE 17 Ca 0.29 -1.86 -0.08 0.00 1.00 0.00 0.00 64.86 64.20 3g5i h ILE 17 Cb 0.24 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3g5i h ILE 17 CO -0.21 0.55 0.04 0.00 0.00 0.00 0.00 178.15 178.53 3g5i h ALA 18 N 1.31 0.98 0.36 1.87 0.00 0.01 -0.88 119.26 122.90 3g5i h ALA 18 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3g5i h ALA 18 Cb 1.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3g5i h ALA 18 CO 0.08 0.63 -0.17 0.82 0.00 0.00 0.00 179.25 180.61 3g5i h ILE 19 N 0.90 0.66 -0.65 0.00 2.04 -0.09 -0.91 117.51 119.46 3g5i h ILE 19 Ca 0.17 -0.11 0.13 0.00 1.00 0.00 0.00 64.86 66.05 3g5i h ILE 19 Cb 0.47 0.72 -0.12 0.00 -0.74 0.00 0.00 36.82 37.14 3g5i h ILE 19 CO 0.02 0.02 -0.20 0.58 0.00 0.00 0.00 178.15 178.57 3g5i h VAL 20 N -0.54 0.30 -0.43 1.67 2.07 -1.15 -0.60 116.25 117.58 3g5i h VAL 20 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3g5i h VAL 20 Cb 0.40 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3g5i h VAL 20 CO 0.08 0.00 0.23 0.25 0.02 0.00 0.00 177.57 178.15 3g5i h LEU 21 N -0.04 0.53 -0.61 2.57 5.85 -1.04 -2.39 115.31 120.18 3g5i h LEU 21 Ca 0.30 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3g5i h LEU 21 Cb 0.50 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3g5i h LEU 21 CO -0.69 0.47 0.26 0.00 -0.34 0.00 0.00 178.44 178.14 3g5i h ALA 22 N 1.09 0.79 0.00 1.25 0.00 -0.16 -2.66 119.26 119.57 3g5i h ALA 22 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g5i h ALA 22 Cb 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3g5i h ALA 22 CO -0.02 0.38 0.00 -0.07 0.00 0.00 0.00 179.25 179.54 3g5i h LEU 23 N 0.84 0.00 -1.15 0.00 4.07 -1.10 -2.58 115.31 115.39 3g5i h LEU 23 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 3g5i h LEU 23 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 3g5i h LEU 23 CO -0.02 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.34 3g5i n ALA 24 N -1.85 2.51 -3.93 1.53 0.00 -0.91 -4.81 120.51 113.04 3g5i n ALA 24 Ca 0.03 -0.54 -0.33 0.00 0.00 0.00 0.00 53.44 52.60 3g5i n ALA 24 Cb 0.31 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.55 3g5i n ALA 24 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3g5i s SER 25 N -1.47 4.74 0.12 0.00 0.01 -0.97 -4.90 113.70 111.22 3g5i s SER 25 Ca 0.31 -1.69 0.24 0.00 1.31 0.00 0.00 55.95 56.11 3g5i s SER 25 Cb 0.17 -1.64 0.93 0.00 0.21 0.00 0.00 66.02 65.68 3g5i s SER 25 CO 0.24 -0.31 1.74 -2.65 0.41 0.00 0.00 173.24 172.68 3g5i n PRO 26 N 4.43 0.12 0.17 12.44 -0.02 -1.26 -1.61 135.00 149.27 3g5i n PRO 26 Ca -0.07 0.21 0.19 0.00 -2.02 0.00 0.00 63.50 61.81 3g5i n PRO 26 Cb 0.42 -1.67 0.78 0.00 -0.02 0.00 0.00 33.50 33.01 3g5i n PRO 26 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3g5i h GLU 27 N 0.00 0.00 -5.71 -0.52 3.07 -1.94 -3.43 114.58 106.05 3g5i h GLU 27 Ca 0.00 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.19 3g5i h GLU 27 Cb 0.49 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.15 3g5i h GLU 27 CO 0.00 0.00 -0.76 -0.51 -1.40 0.00 0.00 179.01 176.34 3g5i s LEU 28 N -7.09 2.78 -0.42 1.33 1.43 -0.63 -0.60 118.68 115.47 3g5i s LEU 28 Ca -0.04 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 3g5i s LEU 28 Cb 0.14 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.85 3g5i s LEU 28 CO 0.49 0.24 0.25 -0.62 0.23 0.00 0.00 176.35 176.93 3g5i s ASP 29 N -0.09 5.49 -0.39 2.29 2.15 0.27 -4.82 116.67 121.57 3g5i s ASP 29 Ca -0.02 -1.73 -0.29 0.00 0.43 0.00 0.00 52.55 50.94 3g5i s ASP 29 Cb -0.14 -1.93 0.02 0.00 -0.30 0.00 0.00 42.92 40.57 3g5i s ASP 29 CO 0.04 -0.56 1.14 -0.69 -0.17 0.00 0.00 175.17 174.93 3g5i s VAL 30 N 1.32 4.32 0.02 1.11 1.01 -1.26 -0.32 120.40 126.60 3g5i s VAL 30 Ca 0.04 1.45 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 3g5i s VAL 30 Cb -0.23 -4.46 -0.26 0.00 0.00 0.00 0.00 36.38 31.42 3g5i s VAL 30 CO -0.01 -0.71 0.93 0.11 0.00 0.00 0.00 175.10 175.43 3g5i h LYS 31 N 8.78 0.19 -2.65 2.72 1.79 -0.87 -3.48 116.57 123.06 3g5i h LYS 31 Ca -0.22 -0.33 0.04 0.00 -2.18 0.00 0.00 60.65 57.96 3g5i h LYS 31 Cb 1.07 0.12 -0.14 0.00 -1.58 0.00 0.00 32.23 31.70 3g5i h LYS 31 CO 1.07 1.05 0.35 0.00 -1.08 0.00 0.00 179.45 180.84 3g5i s ALA 32 N -2.63 -1.71 -0.10 3.86 0.00 -1.25 -4.25 121.76 115.68 3g5i s ALA 32 Ca -0.07 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3g5i s ALA 32 Cb 0.07 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.86 3g5i s ALA 32 CO 0.85 -0.73 -0.15 0.42 0.00 0.00 0.00 175.76 176.15 3g5i s ILE 33 N -3.44 1.46 0.27 0.00 1.01 -0.58 -1.46 121.20 118.46 3g5i s ILE 33 Ca 0.03 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.15 3g5i s ILE 33 Cb -0.01 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 3g5i s ILE 33 CO -0.11 0.43 -0.16 0.42 0.00 0.00 0.00 174.94 175.52 3g5i s THR 34 N 0.86 2.21 -0.08 2.92 -4.23 0.43 -2.70 115.64 115.04 3g5i s THR 34 Ca -0.10 -2.31 0.04 0.00 -1.18 0.00 0.00 61.69 58.14 3g5i s THR 34 Cb -0.15 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 3g5i s THR 34 CO 0.01 -0.41 -0.19 -0.94 -0.54 0.00 0.00 174.62 172.54 3g5i s SER 35 N -3.47 3.52 0.40 3.99 1.04 -0.93 -1.69 113.70 116.56 3g5i s SER 35 Ca 0.29 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.38 3g5i s SER 35 Cb -0.02 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 64.98 3g5i s SER 35 CO 0.13 0.23 0.56 -0.94 0.98 0.00 0.00 173.24 174.20 3g5i s SER 36 N -0.07 5.75 -0.01 7.02 1.04 -0.15 -0.98 113.70 126.30 3g5i s SER 36 Ca -0.05 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.18 3g5i s SER 36 Cb -0.14 -0.94 -0.03 0.00 0.10 0.00 0.00 66.02 65.00 3g5i s SER 36 CO 0.04 -0.67 -0.16 0.00 0.98 0.00 0.00 173.24 173.44 3g5i s ALA 37 N -2.33 2.63 0.00 5.32 0.00 -1.26 -4.45 121.76 121.67 3g5i s ALA 37 Ca 0.51 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3g5i s ALA 37 Cb -0.10 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3g5i s ALA 37 CO 0.33 0.57 0.00 0.41 0.00 0.00 0.00 175.76 177.07 3g5i n GLY 38 N 1.96 -1.91 0.33 0.00 0.00 -1.26 -4.58 105.19 99.74 3g5i n GLY 38 Ca -0.16 0.66 0.19 0.00 0.00 0.00 0.00 46.02 46.70 3g5i n GLY 38 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g5i h ASN 39 N 0.00 0.49 -4.47 1.61 2.35 -1.86 -2.33 115.58 111.38 3g5i h ASN 39 Ca 0.00 0.17 -0.39 0.00 -0.55 0.00 0.00 56.30 55.52 3g5i h ASN 39 Cb 0.00 0.11 -0.10 0.00 0.05 0.00 0.00 38.32 38.38 3g5i h ASN 39 CO 0.00 -0.03 -0.33 0.00 -1.65 0.00 0.00 177.43 175.42 3g5i n GLN 40 N -5.01 0.52 -1.10 0.81 1.13 -1.26 -2.69 117.38 109.78 3g5i n GLN 40 Ca 0.27 -3.06 -0.33 0.00 -1.94 0.00 0.00 57.00 51.94 3g5i n GLN 40 Cb 0.81 2.67 0.13 0.00 0.11 0.00 0.00 30.24 33.96 3g5i n GLN 40 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3g5i s THR 41 N -3.12 2.14 0.40 5.09 -4.23 -1.26 -4.60 115.64 110.05 3g5i s THR 41 Ca 0.35 0.06 0.17 0.00 -1.18 0.00 0.00 61.69 61.09 3g5i s THR 41 Cb 0.01 -2.42 0.18 0.00 1.34 0.00 0.00 72.50 71.60 3g5i s THR 41 CO 0.25 -0.05 1.94 1.55 -0.54 0.00 0.00 174.62 177.77 3g5i h PRO 42 N -0.99 0.00 -0.83 3.99 0.13 -1.87 -1.07 132.00 131.37 3g5i h PRO 42 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 3g5i h PRO 42 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 3g5i h PRO 42 CO 0.46 0.25 0.54 0.93 -0.23 0.00 0.00 178.00 179.95 3g5i h GLU 43 N 0.00 0.98 0.16 0.86 3.07 -1.96 -2.34 114.58 115.35 3g5i h GLU 43 Ca -0.00 -0.06 -0.32 0.00 -0.50 0.00 0.00 59.36 58.48 3g5i h GLU 43 Cb 0.48 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3g5i h GLU 43 CO 0.03 0.65 -1.56 0.87 -1.40 0.00 0.00 179.01 177.60 3g5i h LYS 44 N 1.01 0.35 -0.36 2.33 1.57 -1.59 -2.73 116.57 117.15 3g5i h LYS 44 Ca 0.33 -0.59 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3g5i h LYS 44 Cb 0.06 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3g5i h LYS 44 CO -0.10 1.24 0.12 1.79 -0.57 0.00 0.00 179.45 181.93 3g5i h THR 45 N 0.09 1.21 -0.19 -0.16 1.35 -1.26 -1.27 112.91 112.68 3g5i h THR 45 Ca -0.26 -0.66 0.04 0.00 -0.55 0.00 0.00 66.41 64.97 3g5i h THR 45 Cb 2.06 0.97 -0.04 0.00 -1.73 0.00 0.00 68.15 69.41 3g5i h THR 45 CO 0.19 0.23 -0.06 0.25 -0.25 0.00 0.00 175.52 175.88 3g5i h LEU 46 N 0.43 -0.22 -0.60 3.87 5.85 -1.50 -1.79 115.31 121.36 3g5i h LEU 46 Ca 0.12 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.98 3g5i h LEU 46 Cb 0.24 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3g5i h LEU 46 CO -0.00 -0.08 0.25 -0.09 -0.34 0.00 0.00 178.44 178.17 3g5i h ARG 47 N -0.02 0.44 0.00 1.25 2.43 -1.34 -1.97 114.38 115.17 3g5i h ARG 47 Ca 0.09 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3g5i h ARG 47 Cb 0.17 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3g5i h ARG 47 CO -0.21 0.29 -0.44 -0.91 -1.51 0.00 0.00 179.97 177.19 3g5i h ASN 48 N 0.45 0.00 -0.50 -3.80 2.35 -0.77 0.99 115.58 114.31 3g5i h ASN 48 Ca 0.29 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.99 3g5i h ASN 48 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3g5i h ASN 48 CO -0.27 0.44 0.11 0.58 -1.65 0.00 0.00 177.43 176.65 3g5i h VAL 49 N 0.00 1.24 -0.60 2.81 2.07 -0.86 -2.04 116.25 118.87 3g5i h VAL 49 Ca -0.00 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 3g5i h VAL 49 Cb 0.82 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3g5i h VAL 49 CO 0.06 0.31 0.04 -0.07 0.02 0.00 0.00 177.57 177.93 3g5i h LEU 50 N 0.68 0.99 -0.41 2.57 3.38 -0.75 -1.80 115.31 119.96 3g5i h LEU 50 Ca 0.15 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3g5i h LEU 50 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3g5i h LEU 50 CO 0.00 1.02 0.05 0.03 0.09 0.00 0.00 178.44 179.63 3g5i h ARG 51 N 0.95 0.69 -0.36 1.13 3.08 -0.75 -1.13 114.38 117.99 3g5i h ARG 51 Ca 0.18 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3g5i h ARG 51 Cb 0.49 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3g5i h ARG 51 CO 0.02 0.75 0.12 0.52 -1.07 0.00 0.00 179.97 180.30 3g5i h MET 52 N 0.54 0.55 -0.41 0.04 2.86 -1.23 0.63 114.93 117.92 3g5i h MET 52 Ca 0.12 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3g5i h MET 52 Cb 0.40 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3g5i h MET 52 CO 0.01 0.57 0.03 -0.07 1.06 0.00 0.00 176.91 178.51 3g5i h LEU 53 N 0.43 0.60 -0.13 1.22 3.38 -1.27 -0.14 115.31 119.39 3g5i h LEU 53 Ca 0.12 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3g5i h LEU 53 Cb 0.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3g5i h LEU 53 CO -0.00 0.65 0.05 0.74 0.09 0.00 0.00 178.44 179.96 3g5i h THR 54 N 0.61 0.98 -0.46 0.22 2.02 -1.03 0.05 112.91 115.30 3g5i h THR 54 Ca 0.13 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.29 3g5i h THR 54 Cb 0.34 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3g5i h THR 54 CO 0.01 0.02 0.26 0.25 0.37 0.00 0.00 175.52 176.44 3g5i h LEU 55 N 0.12 0.42 -1.26 2.58 5.85 -0.12 -2.55 115.31 120.36 3g5i h LEU 55 Ca 0.05 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3g5i h LEU 55 Cb 0.02 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3g5i h LEU 55 CO -0.05 0.30 0.00 0.18 -0.34 0.00 0.00 178.44 178.53 3g5i n LEU 56 N -4.84 1.86 -3.79 2.25 4.77 -0.13 -4.90 117.00 112.21 3g5i n LEU 56 Ca 0.02 -0.86 -0.26 0.00 -0.03 0.00 0.00 56.01 54.89 3g5i n LEU 56 Cb 0.07 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3g5i n LEU 56 CO 0.32 0.43 0.03 -3.20 -1.33 0.00 0.00 177.39 173.64 3g5i n ASN 57 N 0.48 -3.14 -2.70 -1.43 4.05 -0.65 -4.91 115.26 106.95 3g5i n ASN 57 Ca 0.14 -0.78 -0.25 0.00 0.45 0.00 0.00 54.58 54.14 3g5i n ASN 57 Cb 0.32 -4.05 -0.01 0.00 1.23 0.00 0.00 39.78 37.27 3g5i n ASN 57 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3g5i n ARG 58 N -4.51 3.09 0.00 1.20 5.12 -0.09 -4.86 116.66 116.61 3g5i n ARG 58 Ca -0.13 -4.50 0.06 0.00 -1.93 0.00 0.00 57.85 51.35 3g5i n ARG 58 Cb 0.60 -2.15 0.25 0.00 -1.16 0.00 0.00 32.46 30.00 3g5i n ARG 58 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3g5i n THR 59 N -0.33 1.20 0.33 0.55 -2.24 -1.25 -2.59 114.28 109.95 3g5i n THR 59 Ca 0.33 0.30 0.15 0.00 -2.27 0.00 0.00 64.05 62.56 3g5i n THR 59 Cb 0.57 -1.10 0.56 0.00 -2.10 0.00 0.00 70.33 68.26 3g5i n THR 59 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3g5i h ASP 60 N 0.00 0.00 -3.23 3.42 2.03 -1.94 -3.44 116.42 113.27 3g5i h ASP 60 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 3g5i h ASP 60 Cb 0.20 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.66 3g5i h ASP 60 CO 0.00 0.00 0.60 -0.63 -1.03 0.00 0.00 179.24 178.18 3g5i s ILE 61 N -3.48 4.73 0.27 4.15 1.01 -1.07 -5.00 121.20 121.81 3g5i s ILE 61 Ca 0.03 2.01 -0.30 0.00 0.00 0.00 0.00 60.65 62.39 3g5i s ILE 61 Cb 0.09 -4.29 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 3g5i s ILE 61 CO 0.51 -0.02 1.39 -2.16 0.00 0.00 0.00 174.94 174.67 3g5i s PRO 62 N 2.16 4.30 -0.02 2.79 0.04 -1.26 -4.86 135.00 138.15 3g5i s PRO 62 Ca 0.48 2.25 0.06 0.00 0.04 0.00 0.00 61.00 63.84 3g5i s PRO 62 Cb -0.18 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 3g5i s PRO 62 CO 0.17 -0.34 -0.19 0.08 0.04 0.00 0.00 177.00 176.75 3g5i s VAL 63 N -0.30 1.52 -0.02 -0.36 1.01 -1.26 -1.53 120.40 119.47 3g5i s VAL 63 Ca 0.56 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 3g5i s VAL 63 Cb -0.41 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3g5i s VAL 63 CO 0.45 0.43 0.10 0.00 0.00 0.00 0.00 175.10 176.09 3g5i s ALA 64 N -0.43 -0.24 0.24 5.51 0.00 -1.10 0.70 121.76 126.45 3g5i s ALA 64 Ca 0.07 0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.77 3g5i s ALA 64 Cb -0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 3g5i s ALA 64 CO -0.01 -0.13 0.89 0.20 0.00 0.00 0.00 175.76 176.72 3g5i s GLY 65 N -0.72 2.96 0.00 0.00 0.00 -1.26 -2.20 107.32 106.11 3g5i s GLY 65 Ca -0.08 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.15 3g5i s GLY 65 CO 0.00 1.02 0.00 0.61 0.00 0.00 0.00 173.10 174.73 3g5i n GLY 66 N 1.23 2.91 3.58 0.20 0.00 -0.15 -1.19 105.19 111.77 3g5i n GLY 66 Ca -0.02 -1.97 -0.46 0.00 0.00 0.00 0.00 46.02 43.57 3g5i n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5i n ALA 67 N -3.00 -0.43 1.05 4.61 0.00 -1.26 -4.87 120.51 116.61 3g5i n ALA 67 Ca 0.00 0.42 0.13 0.00 0.00 0.00 0.00 53.44 53.99 3g5i n ALA 67 Cb 0.00 -2.02 0.50 0.00 0.00 0.00 0.00 19.45 17.93 3g5i n ALA 67 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3g5i n VAL 68 N 0.67 0.00 -3.52 0.00 0.24 -1.26 -4.29 118.33 110.18 3g5i n VAL 68 Ca 0.12 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.31 3g5i n VAL 68 Cb 0.29 -0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 32.43 3g5i n VAL 68 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3g5i s LYS 69 N -2.94 1.29 0.85 7.34 -2.85 -1.26 -4.76 119.74 117.42 3g5i s LYS 69 Ca 0.15 -0.54 -0.13 0.00 -1.00 0.00 0.00 55.97 54.45 3g5i s LYS 69 Cb 0.19 0.55 0.08 0.00 -2.06 0.00 0.00 37.83 36.60 3g5i s LYS 69 CO 0.58 -0.57 1.02 -2.30 0.10 0.00 0.00 175.35 174.17 3g5i n PRO 70 N -0.38 -0.05 -0.33 1.78 -0.02 -1.24 -4.89 135.00 129.87 3g5i n PRO 70 Ca -0.13 0.06 0.01 0.00 -2.02 0.00 0.00 63.50 61.42 3g5i n PRO 70 Cb 0.63 -2.29 0.08 0.00 -0.02 0.00 0.00 33.50 31.90 3g5i n PRO 70 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3g5i h LEU 71 N -1.23 -1.10 -2.29 2.45 3.38 -1.93 -3.27 115.31 111.32 3g5i h LEU 71 Ca -0.45 0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3g5i h LEU 71 Cb 1.29 0.64 0.00 0.00 0.09 0.00 0.00 40.66 42.68 3g5i h LEU 71 CO 0.43 -0.30 -0.33 0.23 0.09 0.00 0.00 178.44 178.56 3g5i n MET 72 N -5.53 0.43 -4.13 1.13 2.81 -1.26 -5.08 117.12 105.50 3g5i n MET 72 Ca 0.11 -1.48 -0.10 0.00 -1.81 0.00 0.00 57.70 54.42 3g5i n MET 72 Cb 0.43 -0.82 -0.09 0.00 -0.71 0.00 0.00 33.22 32.03 3g5i n MET 72 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3g5i s ARG 73 N -0.90 1.03 0.43 0.03 0.52 -1.23 -5.15 118.95 113.68 3g5i s ARG 73 Ca 0.10 -1.44 -0.22 0.00 -0.52 0.00 0.00 55.73 53.65 3g5i s ARG 73 Cb 0.09 0.27 -0.10 0.00 0.52 0.00 0.00 34.95 35.73 3g5i s ARG 73 CO 0.01 -0.32 0.99 -1.21 0.02 0.00 0.00 175.30 174.79 3g5i s GLU 74 N -4.06 4.14 0.21 3.54 0.41 -1.26 -3.67 118.70 118.01 3g5i s GLU 74 Ca 0.26 1.26 -0.31 0.00 -0.41 0.00 0.00 54.97 55.77 3g5i s GLU 74 Cb 0.07 -2.27 -0.11 0.00 -1.78 0.00 0.00 34.13 30.04 3g5i s GLU 74 CO 0.04 -0.13 1.62 -1.17 -0.49 0.00 0.00 175.26 175.14 3g5i s LEU 75 N -3.08 4.37 0.07 1.80 2.96 -1.26 -4.72 118.68 118.82 3g5i s LEU 75 Ca 0.62 2.78 0.09 0.00 -0.22 0.00 0.00 54.13 57.40 3g5i s LEU 75 Cb -0.14 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 3g5i s LEU 75 CO 0.18 -0.89 -0.26 0.27 -1.32 0.00 0.00 176.35 174.33 3g5i s ILE 76 N 0.87 2.09 0.13 6.68 -4.36 -1.26 -5.08 121.20 120.26 3g5i s ILE 76 Ca 0.70 -1.47 0.09 0.00 -0.26 0.00 0.00 60.65 59.70 3g5i s ILE 76 Cb -0.47 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 3g5i s ILE 76 CO 0.35 0.25 -0.15 0.27 0.24 0.00 0.00 174.94 175.90 3g5i s ILE 77 N -0.89 3.00 -1.39 8.37 -4.36 -1.25 -4.60 121.20 120.08 3g5i s ILE 77 Ca 0.12 -1.49 -0.16 0.00 -0.26 0.00 0.00 60.65 58.86 3g5i s ILE 77 Cb -0.10 -2.40 0.05 0.00 1.25 0.00 0.00 42.46 41.26 3g5i s ILE 77 CO 0.03 0.06 2.06 0.00 0.24 0.00 0.00 174.94 177.34 3g5i n ALA 78 N 0.65 4.82 -1.00 2.27 0.00 -0.88 -4.85 120.51 121.52 3g5i n ALA 78 Ca -0.14 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.44 3g5i n ALA 78 Cb 0.53 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.42 3g5i n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g5i n ASP 79 N 6.95 0.00 0.13 0.00 2.03 -1.26 -3.38 116.55 121.02 3g5i n ASP 79 Ca 0.51 0.44 0.13 0.00 0.52 0.00 0.00 54.79 56.38 3g5i n ASP 79 Cb 0.41 0.00 0.36 0.00 -0.72 0.00 0.00 41.12 41.17 3g5i n ASP 79 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3g5i h ASN 80 N 0.00 0.00 -0.09 1.67 -1.07 -1.89 -1.98 115.58 112.22 3g5i h ASN 80 Ca 0.00 -0.00 0.02 0.00 0.07 0.00 0.00 56.30 56.39 3g5i h ASN 80 Cb 0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 3g5i h ASN 80 CO 0.00 0.00 -0.04 0.58 0.07 0.00 0.00 177.43 178.04 3g5i h VAL 81 N 0.00 0.86 -0.15 6.14 2.07 -1.97 -3.21 116.25 119.99 3g5i h VAL 81 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3g5i h VAL 81 Cb 0.79 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3g5i h VAL 81 CO 0.00 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.00 3g5i n HIS 82 N -5.16 0.17 -4.76 1.57 8.25 -1.18 -4.92 115.22 109.18 3g5i n HIS 82 Ca -0.05 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3g5i n HIS 82 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3g5i n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g5i n GLY 83 N 1.36 -1.00 0.14 -1.41 0.00 -0.75 -3.85 105.19 99.67 3g5i n GLY 83 Ca 0.16 -1.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 3g5i n GLY 83 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g5i h GLU 84 N 0.00 -0.18 0.00 1.61 4.57 -1.93 -3.26 114.58 115.39 3g5i h GLU 84 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3g5i h GLU 84 Cb 0.00 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3g5i h GLU 84 CO 0.00 -0.12 -0.45 0.66 -1.18 0.00 0.00 179.01 177.93 3g5i h SER 85 N -0.18 0.00 0.00 1.04 4.64 -1.96 -3.47 113.55 113.62 3g5i h SER 85 Ca 0.01 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3g5i h SER 85 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3g5i h SER 85 CO -0.13 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.47 3g5i n GLY 86 N 1.22 1.84 2.69 -0.77 0.00 -1.23 -4.84 105.19 104.10 3g5i n GLY 86 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 3g5i n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g5i n LEU 87 N 0.00 1.59 -4.76 0.99 4.77 -1.25 0.11 117.00 118.45 3g5i n LEU 87 Ca 0.00 -3.62 -0.33 0.00 -0.03 0.00 0.00 56.01 52.04 3g5i n LEU 87 Cb 0.00 0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.57 3g5i n LEU 87 CO 0.00 1.47 0.73 -1.81 -1.33 0.00 0.00 177.39 176.46 3g5i s ASP 88 N -3.28 4.67 0.00 -1.43 1.11 -1.25 -4.51 116.67 111.98 3g5i s ASP 88 Ca 0.28 2.02 0.00 0.00 0.18 0.00 0.00 52.55 55.03 3g5i s ASP 88 Cb 0.43 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.87 3g5i s ASP 88 CO 0.02 -1.93 0.00 0.61 1.18 0.00 0.00 175.17 175.05 3g5i n GLY 89 N -0.52 2.02 3.82 0.21 0.00 -1.26 -4.81 105.19 104.64 3g5i n GLY 89 Ca 0.11 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 3g5i n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3g5i s PRO 90 N 0.00 3.35 0.06 1.61 0.04 -1.26 -5.01 135.00 133.79 3g5i s PRO 90 Ca 0.00 1.09 -0.31 0.00 0.04 0.00 0.00 61.00 61.82 3g5i s PRO 90 Cb 0.00 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3g5i s PRO 90 CO 0.00 -0.78 1.31 0.00 0.04 0.00 0.00 177.00 177.57 3g5i s ALA 91 N -2.64 3.51 0.19 8.56 0.00 -1.26 -5.04 121.76 125.07 3g5i s ALA 91 Ca 0.61 0.94 0.09 0.00 0.00 0.00 0.00 51.96 53.61 3g5i s ALA 91 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 3g5i s ALA 91 CO 0.41 -0.62 -0.12 -0.51 0.00 0.00 0.00 175.76 174.92 3g5i s LEU 92 N 1.42 2.89 0.54 0.00 1.43 -1.26 -5.05 118.68 118.64 3g5i s LEU 92 Ca 0.62 -0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 52.89 3g5i s LEU 92 Cb -0.32 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.27 3g5i s LEU 92 CO 0.29 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.90 3g5i s PRO 93 N -2.85 3.44 0.52 1.29 0.04 -1.26 -5.03 135.00 131.16 3g5i s PRO 93 Ca 0.25 1.49 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 3g5i s PRO 93 Cb -0.08 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3g5i s PRO 93 CO 0.14 -0.75 1.19 -1.21 0.04 0.00 0.00 177.00 176.42 3g5i s GLU 94 N -3.39 3.38 0.25 4.56 0.41 -1.26 -4.70 118.70 117.96 3g5i s GLU 94 Ca 0.70 1.81 -0.31 0.00 -0.41 0.00 0.00 54.97 56.76 3g5i s GLU 94 Cb -0.21 -2.17 -0.12 0.00 -1.78 0.00 0.00 34.13 29.84 3g5i s GLU 94 CO 0.27 -0.87 1.56 -2.30 -0.49 0.00 0.00 175.26 173.42 3g5i n PRO 95 N -1.02 2.46 -0.04 0.39 -0.02 -1.26 -4.90 135.00 130.61 3g5i n PRO 95 Ca 0.10 0.88 0.09 0.00 -2.02 0.00 0.00 63.50 62.55 3g5i n PRO 95 Cb 0.49 -2.63 0.10 0.00 -0.02 0.00 0.00 33.50 31.43 3g5i n PRO 95 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g5i n THR 96 N 2.45 0.13 -4.13 3.45 -2.24 -1.26 -5.00 114.28 107.67 3g5i n THR 96 Ca 0.11 -0.56 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 3g5i n THR 96 Cb 0.34 1.26 -0.09 0.00 -2.10 0.00 0.00 70.33 69.74 3g5i n THR 96 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3g5i s PHE 97 N -1.43 0.89 0.03 4.78 -0.12 -1.26 -5.17 117.98 115.70 3g5i s PHE 97 Ca 0.23 -1.18 0.03 0.00 -0.05 0.00 0.00 56.93 55.95 3g5i s PHE 97 Cb 0.15 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 3g5i s PHE 97 CO 0.23 -0.67 -0.00 0.00 -0.05 0.00 0.00 175.22 174.73 3g5i s ALA 98 N -4.09 3.27 0.83 1.99 0.00 -1.26 -5.04 121.76 117.45 3g5i s ALA 98 Ca 0.30 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 3g5i s ALA 98 Cb 0.06 -1.28 0.09 0.00 0.00 0.00 0.00 23.12 21.98 3g5i s ALA 98 CO 0.08 0.66 1.11 -1.25 0.00 0.00 0.00 175.76 176.36 3g5i s PRO 99 N -1.77 1.77 0.72 0.00 0.04 -1.26 -4.82 135.00 129.69 3g5i s PRO 99 Ca 0.21 1.33 -0.14 0.00 0.04 0.00 0.00 61.00 62.43 3g5i s PRO 99 Cb -0.12 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.63 3g5i s PRO 99 CO 0.12 -2.03 1.17 -0.65 0.04 0.00 0.00 177.00 175.65 3g5i s GLN 100 N -4.79 2.26 -1.45 4.56 -1.52 0.22 -4.88 119.66 114.06 3g5i s GLN 100 Ca 0.64 1.61 -0.13 0.00 -1.95 0.00 0.00 55.36 55.53 3g5i s GLN 100 Cb -0.19 -1.86 0.05 0.00 -0.22 0.00 0.00 33.01 30.78 3g5i s GLN 100 CO 0.57 -1.71 2.26 -1.71 -0.25 0.00 0.00 175.29 174.44 3g5i n ASN 101 N -2.77 4.64 -3.69 5.90 5.15 -1.26 -4.82 115.26 118.41 3g5i n ASN 101 Ca 0.12 -2.86 0.01 0.00 -0.60 0.00 0.00 54.58 51.25 3g5i n ASN 101 Cb 0.51 -1.62 0.01 0.00 -0.53 0.00 0.00 39.78 38.15 3g5i n ASN 101 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g5i s THR 103 N -2.15 2.91 0.15 0.00 -4.23 -1.26 -4.30 115.64 106.75 3g5i s THR 103 Ca 0.25 -0.49 -0.17 0.00 -1.18 0.00 0.00 61.69 60.09 3g5i s THR 103 Cb 0.00 -3.13 -0.00 0.00 1.34 0.00 0.00 72.50 70.71 3g5i s THR 103 CO -0.00 -0.10 1.80 0.00 -0.54 0.00 0.00 174.62 175.77 3g5i h ALA 104 N -0.03 0.44 -0.98 3.99 0.00 -1.37 -1.48 119.26 119.83 3g5i h ALA 104 Ca -0.44 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.47 3g5i h ALA 104 Cb 1.29 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3g5i h ALA 104 CO 0.55 -0.13 0.65 0.28 0.00 0.00 0.00 179.25 180.61 3g5i h VAL 105 N 0.44 1.24 -0.30 0.00 2.07 -1.87 0.17 116.25 118.00 3g5i h VAL 105 Ca 0.13 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3g5i h VAL 105 Cb -0.02 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.54 3g5i h VAL 105 CO -0.05 0.24 0.18 -0.33 0.02 0.00 0.00 177.57 177.63 3g5i h GLU 106 N 1.32 0.41 -0.65 1.57 5.08 -1.83 0.17 114.58 120.65 3g5i h GLU 106 Ca 0.36 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.60 3g5i h GLU 106 Cb -0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 3g5i h GLU 106 CO -0.08 0.32 0.09 1.25 -1.00 0.00 0.00 179.01 179.58 3g5i h LEU 107 N 0.38 1.04 0.43 1.33 5.85 -0.72 -0.07 115.31 123.55 3g5i h LEU 107 Ca 0.11 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3g5i h LEU 107 Cb 0.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3g5i h LEU 107 CO -0.02 1.05 -0.32 0.24 -0.34 0.00 0.00 178.44 179.05 3g5i h MET 108 N 1.01 -0.71 -0.28 1.25 2.86 -0.80 -0.59 114.93 117.68 3g5i h MET 108 Ca 0.20 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.94 3g5i h MET 108 Cb 0.46 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 3g5i h MET 108 CO 0.02 -0.47 -0.04 0.00 1.06 0.00 0.00 176.91 177.48 3g5i h ALA 109 N -0.26 0.22 -0.42 6.32 0.00 -0.85 -1.19 119.26 123.08 3g5i h ALA 109 Ca -0.04 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3g5i h ALA 109 Cb 0.63 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3g5i h ALA 109 CO 0.01 -0.44 0.02 -0.22 0.00 0.00 0.00 179.25 178.61 3g5i h LYS 110 N 0.04 0.13 -0.27 0.00 3.64 -0.94 -0.02 116.57 119.14 3g5i h LYS 110 Ca 0.13 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3g5i h LYS 110 Cb 0.19 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3g5i h LYS 110 CO -0.26 0.08 0.04 1.15 -2.27 0.00 0.00 179.45 178.20 3g5i h THR 111 N 0.13 0.86 0.17 1.00 2.02 -0.47 -2.12 112.91 114.51 3g5i h THR 111 Ca 0.21 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3g5i h THR 111 Cb 0.29 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3g5i h THR 111 CO -0.33 0.03 -0.08 -0.07 0.37 0.00 0.00 175.52 175.44 3g5i h LEU 112 N 0.14 -0.19 -0.55 2.58 3.38 -0.81 -1.02 115.31 118.83 3g5i h LEU 112 Ca 0.13 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.18 3g5i h LEU 112 Cb 0.14 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.83 3g5i h LEU 112 CO -0.17 -0.10 -0.16 0.03 0.09 0.00 0.00 178.44 178.12 3g5i h ARG 113 N -0.27 -0.02 -0.01 1.13 3.08 -0.92 -2.55 114.38 114.82 3g5i h ARG 113 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3g5i h ARG 113 Cb 0.21 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3g5i h ARG 113 CO 0.04 -0.02 -0.23 -0.85 -1.07 0.00 0.00 179.97 177.84 3g5i n GLU 114 N -5.40 0.89 -2.49 0.04 0.28 -0.80 -4.87 120.64 108.28 3g5i n GLU 114 Ca 0.06 -0.51 -0.37 0.00 -0.16 0.00 0.00 57.16 56.18 3g5i n GLU 114 Cb 0.30 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.64 3g5i n GLU 114 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3g5i s SER 115 N -2.46 6.76 0.15 -1.84 0.15 -0.40 -4.94 113.70 111.10 3g5i s SER 115 Ca 0.26 2.11 0.23 0.00 0.70 0.00 0.00 55.95 59.25 3g5i s SER 115 Cb 0.19 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.99 3g5i s SER 115 CO 0.50 -0.50 1.09 0.00 1.20 0.00 0.00 173.24 175.53 3g5i n ALA 116 N 0.07 2.79 -2.20 5.45 0.00 -1.26 -4.93 120.51 120.43 3g5i n ALA 116 Ca 0.04 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 3g5i n ALA 116 Cb 0.49 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 3g5i n ALA 116 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3g5i s GLU 117 N -3.29 0.96 0.50 0.00 -1.05 -1.26 -5.13 118.70 109.43 3g5i s GLU 117 Ca 0.02 -1.43 -0.23 0.00 -0.15 0.00 0.00 54.97 53.18 3g5i s GLU 117 Cb 0.12 -0.17 -0.07 0.00 -0.44 0.00 0.00 34.13 33.56 3g5i s GLU 117 CO 0.78 -0.10 1.26 -2.30 0.95 0.00 0.00 175.26 175.85 3g5i n PRO 118 N -0.13 1.68 -4.42 -4.83 -0.02 -1.26 -4.98 135.00 121.03 3g5i n PRO 118 Ca -0.09 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.65 3g5i n PRO 118 Cb 0.62 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 3g5i n PRO 118 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3g5i s VAL 119 N -1.28 4.18 -0.20 -1.45 1.01 0.61 -4.65 120.40 118.62 3g5i s VAL 119 Ca 0.67 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 3g5i s VAL 119 Cb -0.46 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3g5i s VAL 119 CO 0.53 0.60 0.60 -0.89 0.00 0.00 0.00 175.10 175.93 3g5i s THR 120 N -0.78 5.04 -0.11 3.92 2.01 -0.46 -1.57 115.64 123.70 3g5i s THR 120 Ca 0.12 1.12 -0.18 0.00 0.31 0.00 0.00 61.69 63.06 3g5i s THR 120 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3g5i s THR 120 CO 0.02 0.13 0.48 -0.63 -0.69 0.00 0.00 174.62 173.93 3g5i s ILE 121 N 1.82 5.17 -0.22 1.82 1.01 -0.52 -0.27 121.20 130.01 3g5i s ILE 121 Ca 0.27 0.95 -0.01 0.00 0.00 0.00 0.00 60.65 61.87 3g5i s ILE 121 Cb -0.16 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.52 3g5i s ILE 121 CO 0.10 0.34 -0.10 -0.69 0.00 0.00 0.00 174.94 174.60 3g5i s VAL 122 N 0.51 2.73 -0.16 2.92 1.01 0.05 0.70 120.40 128.16 3g5i s VAL 122 Ca 0.26 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3g5i s VAL 122 Cb -0.15 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 33.95 3g5i s VAL 122 CO 0.11 0.34 -0.13 -0.94 0.00 0.00 0.00 175.10 174.48 3g5i s SER 123 N 1.34 2.88 0.00 3.32 1.04 0.48 -0.54 113.70 122.22 3g5i s SER 123 Ca 0.02 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.87 3g5i s SER 123 Cb -0.15 -1.18 0.04 0.00 0.10 0.00 0.00 66.02 64.83 3g5i s SER 123 CO -0.07 -0.09 0.96 0.35 0.98 0.00 0.00 173.24 175.38 3g5i n THR 124 N 4.76 0.84 -3.03 2.02 -2.24 0.07 -1.92 114.28 114.79 3g5i n THR 124 Ca -0.16 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 3g5i n THR 124 Cb 0.49 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3g5i n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g5i n GLY 125 N -0.28 5.89 3.50 3.38 0.00 -1.26 -4.61 105.19 111.82 3g5i n GLY 125 Ca 0.02 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 3g5i n GLY 125 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3g5i n PRO 126 N -0.05 0.38 -0.05 1.61 -0.02 -1.26 -4.87 135.00 130.73 3g5i n PRO 126 Ca 0.00 0.17 0.05 0.00 -2.02 0.00 0.00 63.50 61.70 3g5i n PRO 126 Cb 0.00 -1.92 0.23 0.00 -0.02 0.00 0.00 33.50 31.80 3g5i n PRO 126 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3g5i n GLN 127 N -0.95 1.31 -0.26 -0.52 1.13 -1.26 -4.57 117.38 112.27 3g5i n GLN 127 Ca 0.11 -0.48 -0.03 0.00 -1.94 0.00 0.00 57.00 54.66 3g5i n GLN 127 Cb 0.50 -1.20 0.03 0.00 0.11 0.00 0.00 30.24 29.68 3g5i n GLN 127 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3g5i h THR 128 N 0.84 0.14 -0.53 5.09 2.02 -1.88 0.04 112.91 118.63 3g5i h THR 128 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 3g5i h THR 128 Cb 0.19 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3g5i h THR 128 CO 0.00 0.00 -0.09 0.78 0.37 0.00 0.00 175.52 176.58 3g5i h ASN 129 N -0.10 0.97 -0.23 4.18 2.35 -1.95 -2.28 115.58 118.52 3g5i h ASN 129 Ca 0.28 -0.31 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3g5i h ASN 129 Cb 0.57 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3g5i h ASN 129 CO -0.77 1.08 -0.04 0.58 -1.65 0.00 0.00 177.43 176.63 3g5i h VAL 130 N 0.87 1.28 -1.00 2.81 2.07 -1.66 -1.45 116.25 119.18 3g5i h VAL 130 Ca 0.14 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3g5i h VAL 130 Cb 0.64 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 3g5i h VAL 130 CO 0.04 0.31 0.66 0.00 0.02 0.00 0.00 177.57 178.61 3g5i h ALA 131 N 0.77 1.27 -0.71 1.67 0.00 -1.01 -0.56 119.26 120.68 3g5i h ALA 131 Ca 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3g5i h ALA 131 Cb 0.48 -0.41 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3g5i h ALA 131 CO 0.02 0.66 0.38 -0.07 0.00 0.00 0.00 179.25 180.23 3g5i h LEU 132 N 1.35 0.90 -0.16 0.00 3.38 -1.13 -1.34 115.31 118.31 3g5i h LEU 132 Ca 0.37 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3g5i h LEU 132 Cb -0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 3g5i h LEU 132 CO -0.08 0.75 0.06 0.25 0.09 0.00 0.00 178.44 179.51 3g5i h LEU 133 N 0.98 0.22 -0.39 1.67 5.85 -0.98 0.11 115.31 122.78 3g5i h LEU 133 Ca 0.25 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3g5i h LEU 133 Cb 0.06 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3g5i h LEU 133 CO -0.04 0.34 0.25 -0.07 -0.34 0.00 0.00 178.44 178.58 3g5i h LEU 134 N 0.10 0.45 -0.19 2.25 3.38 -0.85 0.95 115.31 121.39 3g5i h LEU 134 Ca 0.05 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 3g5i h LEU 134 Cb 0.19 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3g5i h LEU 134 CO -0.00 0.34 -0.94 0.78 0.09 0.00 0.00 178.44 178.71 3g5i h ASN 135 N 0.52 0.41 1.38 -0.43 2.35 -1.18 -3.24 115.58 115.38 3g5i h ASN 135 Ca 0.14 -0.34 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 3g5i h ASN 135 Cb -0.04 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3g5i h ASN 135 CO -0.03 1.15 -0.65 0.28 -1.65 0.00 0.00 177.43 176.53 3g5i h SER 136 N 0.17 0.00 -2.16 5.81 0.02 -0.84 -3.39 113.55 113.16 3g5i h SER 136 Ca -0.07 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.33 3g5i h SER 136 Cb 1.58 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.71 3g5i h SER 136 CO 0.15 0.35 -0.86 1.41 -1.14 0.00 0.00 176.83 176.74 3g5i n HIS 137 N -3.06 2.33 0.28 3.45 8.25 0.32 -4.90 115.22 121.88 3g5i n HIS 137 Ca -0.00 -3.92 0.18 0.00 -0.26 0.00 0.00 57.72 53.72 3g5i n HIS 137 Cb 0.69 -0.46 0.99 0.00 1.12 0.00 0.00 29.99 32.32 3g5i n HIS 137 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3g5i h PRO 138 N 3.21 0.00 -0.00 -0.41 0.13 -1.76 -1.38 132.00 131.79 3g5i h PRO 138 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3g5i h PRO 138 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3g5i h PRO 138 CO 0.68 0.00 -0.10 -0.85 -0.23 0.00 0.00 178.00 177.50 3g5i n GLU 139 N -2.78 0.32 -0.14 0.86 0.00 -1.26 -3.15 120.64 114.50 3g5i n GLU 139 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 57.16 57.13 3g5i n GLU 139 Cb 0.07 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.15 3g5i n GLU 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3g5i n LEU 140 N -1.28 2.78 0.05 -1.84 4.77 -0.52 -4.52 117.00 116.44 3g5i n LEU 140 Ca 0.11 -1.62 0.05 0.00 -0.03 0.00 0.00 56.01 54.52 3g5i n LEU 140 Cb 0.30 -0.18 0.47 0.00 -2.33 0.00 0.00 43.42 41.68 3g5i n LEU 140 CO 0.26 0.64 1.15 0.45 -1.33 0.00 0.00 177.39 178.56 3g5i h HIS 141 N 2.62 0.41 0.00 -1.77 3.86 -1.60 -1.91 115.15 116.77 3g5i h HIS 141 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3g5i h HIS 141 Cb 0.71 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.04 3g5i h HIS 141 CO 0.18 0.26 0.00 -1.13 0.86 0.00 0.00 177.93 178.10 3g5i n SER 142 N -4.49 0.67 -0.95 2.45 3.41 -1.26 -1.55 113.62 111.91 3g5i n SER 142 Ca 0.02 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 3g5i n SER 142 Cb 0.08 -0.81 0.27 0.00 -0.26 0.00 0.00 64.21 63.48 3g5i n SER 142 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g5i n LYS 143 N -2.25 2.23 -3.72 4.33 4.76 -0.72 -4.77 118.16 118.03 3g5i n LYS 143 Ca 0.02 -1.87 -0.38 0.00 -2.87 0.00 0.00 58.31 53.21 3g5i n LYS 143 Cb 0.23 -1.46 -0.12 0.00 -1.84 0.00 0.00 35.03 31.83 3g5i n LYS 143 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g5i s ILE 144 N -1.55 3.90 0.13 -0.18 1.01 -0.59 -0.28 121.20 123.63 3g5i s ILE 144 Ca 0.36 -1.19 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 3g5i s ILE 144 Cb 0.21 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 3g5i s ILE 144 CO 0.29 -0.26 1.66 0.00 0.00 0.00 0.00 174.94 176.63 3g5i h ALA 145 N 8.26 0.52 -1.59 9.38 0.00 -1.55 -3.46 119.26 130.82 3g5i h ALA 145 Ca -0.23 -0.16 0.26 0.00 0.00 0.00 0.00 54.91 54.78 3g5i h ALA 145 Cb 1.08 -0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.57 3g5i h ALA 145 CO 0.64 0.16 0.77 -0.98 0.00 0.00 0.00 179.25 179.83 3g5i s ARG 146 N -5.43 0.45 -0.17 0.00 1.70 -1.26 -4.53 118.95 109.71 3g5i s ARG 146 Ca -0.13 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 54.93 3g5i s ARG 146 Cb 0.10 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.68 3g5i s ARG 146 CO 0.76 -0.20 -0.20 0.42 -1.08 0.00 0.00 175.30 175.00 3g5i s ILE 147 N -2.54 2.04 -0.30 4.99 1.01 -0.45 -1.44 121.20 124.52 3g5i s ILE 147 Ca 0.11 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 3g5i s ILE 147 Cb 0.01 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 3g5i s ILE 147 CO -0.04 0.54 0.13 -0.69 0.00 0.00 0.00 174.94 174.88 3g5i s VAL 148 N 1.20 4.49 0.15 2.92 1.01 0.22 -0.66 120.40 129.74 3g5i s VAL 148 Ca 0.03 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3g5i s VAL 148 Cb -0.13 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3g5i s VAL 148 CO -0.11 0.13 -0.03 0.27 0.00 0.00 0.00 175.10 175.35 3g5i s ILE 149 N 1.60 3.59 -0.28 2.22 -4.36 0.72 -0.39 121.20 124.32 3g5i s ILE 149 Ca 0.05 -1.40 -0.09 0.00 -0.26 0.00 0.00 60.65 58.95 3g5i s ILE 149 Cb -0.17 -2.77 -0.03 0.00 1.25 0.00 0.00 42.46 40.74 3g5i s ILE 149 CO 0.05 -0.05 0.13 -0.32 0.24 0.00 0.00 174.94 175.00 3g5i s MET 150 N -2.73 3.68 0.00 0.37 -2.45 -0.81 -0.66 119.30 116.71 3g5i s MET 150 Ca 0.26 -0.48 0.00 0.00 -1.25 0.00 0.00 55.69 54.22 3g5i s MET 150 Cb -0.10 -3.51 0.00 0.00 1.25 0.00 0.00 34.83 32.48 3g5i s MET 150 CO 0.17 -0.24 0.00 0.41 1.05 0.00 0.00 175.02 176.41 3g5i n GLY 151 N 4.99 2.03 0.00 2.11 0.00 -0.80 -4.63 105.19 108.90 3g5i n GLY 151 Ca -0.15 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3g5i n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5i n GLY 152 N -0.55 -0.61 3.64 -0.02 0.00 -1.26 -3.63 105.19 102.76 3g5i n GLY 152 Ca 0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.22 3g5i n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5i s ALA 153 N -1.57 -1.96 0.19 4.61 0.00 -1.26 -1.09 121.76 120.67 3g5i s ALA 153 Ca 0.00 2.33 0.02 0.00 0.00 0.00 0.00 51.96 54.30 3g5i s ALA 153 Cb 0.00 -1.47 0.09 0.00 0.00 0.00 0.00 23.12 21.74 3g5i s ALA 153 CO 0.00 -0.36 1.45 1.98 0.00 0.00 0.00 175.76 178.83 3g5i h MET 154 N 6.52 0.27 0.00 0.00 4.05 -1.96 -3.40 114.93 120.41 3g5i h MET 154 Ca -0.29 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 3g5i h MET 154 Cb 1.21 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 3g5i h MET 154 CO 0.16 0.90 0.00 0.41 0.23 0.00 0.00 176.91 178.61 3g5i n GLY 155 N 0.59 2.20 3.77 1.39 0.00 -1.26 -4.89 105.19 106.99 3g5i n GLY 155 Ca -0.03 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 3g5i n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g5i s LEU 156 N 0.00 4.06 0.62 0.99 1.43 -1.26 -4.91 118.68 119.61 3g5i s LEU 156 Ca 0.00 2.36 -0.03 0.00 -1.03 0.00 0.00 54.13 55.44 3g5i s LEU 156 Cb 0.00 -4.17 0.05 0.00 0.03 0.00 0.00 46.19 42.10 3g5i s LEU 156 CO 0.00 -0.89 0.89 -0.83 0.23 0.00 0.00 176.35 175.75 3g5i s GLY 157 N -1.24 1.76 0.00 -3.19 0.00 -0.27 -4.89 107.32 99.48 3g5i s GLY 157 Ca 0.62 -1.13 0.15 0.00 0.00 0.00 0.00 44.72 44.36 3g5i s GLY 157 CO 0.37 -0.79 0.90 1.16 0.00 0.00 0.00 173.10 174.75 3g5i n ASN 158 N -2.62 1.94 -0.04 1.64 6.94 -1.11 -4.75 115.26 117.27 3g5i n ASN 158 Ca 0.08 -1.47 -0.09 0.00 -0.02 0.00 0.00 54.58 53.08 3g5i n ASN 158 Cb 0.60 0.20 -0.03 0.00 -2.36 0.00 0.00 39.78 38.19 3g5i n ASN 158 CO 0.00 0.00 0.00 1.87 -1.03 0.00 0.00 177.26 178.10 3g5i n TRP 159 N 0.42 0.00 -4.25 -2.53 -0.00 -0.59 -4.88 117.44 105.61 3g5i n TRP 159 Ca 0.08 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.33 3g5i n TRP 159 Cb 0.35 -0.32 -0.08 0.00 -0.00 0.00 0.00 31.31 31.25 3g5i n TRP 159 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 3g5i s THR 160 N -2.27 2.65 0.43 5.87 -4.23 -1.06 -5.01 115.64 112.01 3g5i s THR 160 Ca -0.14 -1.85 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 3g5i s THR 160 Cb 0.04 -2.88 0.46 0.00 1.34 0.00 0.00 72.50 71.46 3g5i s THR 160 CO 0.19 -0.15 1.64 -0.65 -0.54 0.00 0.00 174.62 175.11 3g5i h PRO 161 N 1.67 0.13 0.00 3.99 0.11 -1.90 -2.84 132.00 133.17 3g5i h PRO 161 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3g5i h PRO 161 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3g5i h PRO 161 CO 0.67 0.08 -0.49 0.00 -0.21 0.00 0.00 178.00 178.05 3g5i n ALA 162 N -2.50 3.03 -2.53 -0.75 0.00 -1.26 -1.11 120.51 115.39 3g5i n ALA 162 Ca 0.35 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 3g5i n ALA 162 Cb 1.34 -0.31 -0.14 0.00 0.00 0.00 0.00 19.45 20.34 3g5i n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5i s ALA 163 N -1.88 1.49 0.30 0.00 0.00 -1.07 -4.23 121.76 116.37 3g5i s ALA 163 Ca 0.03 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 3g5i s ALA 163 Cb 0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 3g5i s ALA 163 CO 0.35 0.33 0.66 -2.00 0.00 0.00 0.00 175.76 175.10 3g5i s GLU 164 N -0.93 3.88 0.11 0.00 -6.30 -1.26 -1.54 118.70 112.66 3g5i s GLU 164 Ca 0.06 0.47 -0.29 0.00 -2.50 0.00 0.00 54.97 52.70 3g5i s GLU 164 Cb -0.08 -2.51 -0.09 0.00 0.00 0.00 0.00 34.13 31.45 3g5i s GLU 164 CO 0.01 0.19 1.62 0.35 0.02 0.00 0.00 175.26 177.45 3g5i h PHE 165 N 2.20 -0.90 -0.90 5.30 3.57 -1.95 -0.44 116.94 123.82 3g5i h PHE 165 Ca -0.47 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.17 3g5i h PHE 165 Cb 1.17 0.37 -0.08 0.00 2.79 0.00 0.00 35.95 40.21 3g5i h PHE 165 CO 0.61 -0.44 0.53 -0.91 -2.23 0.00 0.00 178.31 175.87 3g5i h ASN 166 N -0.58 0.74 -0.10 0.41 2.35 -1.92 -0.68 115.58 115.80 3g5i h ASN 166 Ca 0.02 0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 3g5i h ASN 166 Cb 0.59 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.89 3g5i h ASN 166 CO -0.17 0.38 -0.72 0.40 -1.65 0.00 0.00 177.43 175.67 3g5i h ILE 167 N 0.82 1.32 -0.57 2.81 1.08 -1.82 -3.26 117.51 117.89 3g5i h ILE 167 Ca 0.46 -1.98 -0.01 0.00 -0.39 0.00 0.00 64.86 62.94 3g5i h ILE 167 Cb 0.51 2.17 -0.03 0.00 -3.07 0.00 0.00 36.82 36.40 3g5i h ILE 167 CO -0.29 0.61 0.30 0.22 -0.69 0.00 0.00 178.15 178.30 3g5i h TYR 168 N 0.33 0.78 -0.29 1.37 3.20 -0.15 -1.77 116.97 120.43 3g5i h TYR 168 Ca -0.06 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 3g5i h TYR 168 Cb 1.36 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 3g5i h TYR 168 CO 0.10 0.56 0.09 0.28 -1.64 0.00 0.00 178.16 177.55 3g5i h VAL 169 N 0.80 1.13 -1.38 1.81 2.07 -1.20 -3.36 116.25 116.12 3g5i h VAL 169 Ca 0.20 -0.43 -0.31 0.00 0.82 0.00 0.00 66.70 66.98 3g5i h VAL 169 Cb 0.05 0.81 -0.24 0.00 -1.52 0.00 0.00 31.29 30.39 3g5i h VAL 169 CO -0.03 0.16 -0.67 -0.67 0.02 0.00 0.00 177.57 176.37 3g5i n ASP 170 N -4.40 -2.31 -0.22 0.57 -0.08 -0.98 -4.71 116.55 104.43 3g5i n ASP 170 Ca 0.01 -2.77 -0.05 0.00 -1.51 0.00 0.00 54.79 50.47 3g5i n ASP 170 Cb 0.15 0.93 0.12 0.00 2.34 0.00 0.00 41.12 44.66 3g5i n ASP 170 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3g5i h PRO 171 N 5.05 1.03 -0.23 -0.67 0.11 -1.48 -2.44 132.00 133.37 3g5i h PRO 171 Ca 0.11 -0.21 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 3g5i h PRO 171 Cb 1.03 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3g5i h PRO 171 CO 0.17 0.88 -0.01 0.93 -0.21 0.00 0.00 178.00 179.77 3g5i h GLU 172 N 0.99 0.41 -0.54 1.05 3.07 -1.91 0.09 114.58 117.75 3g5i h GLU 172 Ca 0.22 -0.13 0.09 0.00 -0.50 0.00 0.00 59.36 59.04 3g5i h GLU 172 Cb 0.29 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.09 3g5i h GLU 172 CO -0.01 0.60 0.13 0.00 -1.40 0.00 0.00 179.01 178.33 3g5i h ALA 173 N 0.80 0.64 -0.32 3.43 0.00 -1.87 0.08 119.26 122.02 3g5i h ALA 173 Ca 0.06 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3g5i h ALA 173 Cb 0.42 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3g5i h ALA 173 CO 0.01 -0.28 0.10 0.00 0.00 0.00 0.00 179.25 179.08 3g5i h ALA 174 N 1.42 0.41 -0.86 0.00 0.00 -1.08 -1.10 119.26 118.05 3g5i h ALA 174 Ca 0.28 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3g5i h ALA 174 Cb 0.38 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3g5i h ALA 174 CO -0.34 0.05 0.57 1.49 0.00 0.00 0.00 179.25 181.02 3g5i h GLU 175 N 0.36 1.09 -0.55 0.00 4.57 -0.74 -0.88 114.58 118.42 3g5i h GLU 175 Ca 0.10 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3g5i h GLU 175 Cb 0.24 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 3g5i h GLU 175 CO -0.00 0.72 0.37 0.82 -1.18 0.00 0.00 179.01 179.74 3g5i h ILE 176 N 1.13 1.14 0.01 2.32 2.04 -0.54 0.11 117.51 123.71 3g5i h ILE 176 Ca 0.33 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3g5i h ILE 176 Cb -0.07 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3g5i h ILE 176 CO -0.08 0.14 -0.08 0.58 0.00 0.00 0.00 178.15 178.71 3g5i h VAL 177 N 0.75 0.80 0.00 1.67 2.07 -0.58 -2.55 116.25 118.42 3g5i h VAL 177 Ca 0.20 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 3g5i h VAL 177 Cb -0.09 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3g5i h VAL 177 CO -0.04 0.00 -0.30 -0.26 0.02 0.00 0.00 177.57 176.99 3g5i h PHE 178 N -0.14 0.00 -0.08 1.57 0.04 -0.84 -2.73 116.94 114.76 3g5i h PHE 178 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3g5i h PHE 178 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3g5i h PHE 178 CO -0.14 0.30 0.00 1.04 -0.60 0.00 0.00 178.31 178.91 3g5i n GLN 179 N -3.76 1.66 0.24 1.51 6.02 0.35 -4.53 117.38 118.86 3g5i n GLN 179 Ca -0.01 -0.97 0.14 0.00 -0.01 0.00 0.00 57.00 56.15 3g5i n GLN 179 Cb 0.40 -1.44 0.38 0.00 1.02 0.00 0.00 30.24 30.60 3g5i n GLN 179 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3g5i h SER 180 N 2.15 0.00 0.00 1.08 4.64 -1.13 -3.47 113.55 116.83 3g5i h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g5i h SER 180 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3g5i h SER 180 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3g5i n GLY 181 N 0.67 1.23 3.75 -0.77 0.00 -1.26 -5.06 105.19 103.75 3g5i n GLY 181 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3g5i n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g5i s ILE 182 N -2.42 4.97 0.17 -0.61 1.01 -1.26 -5.01 121.20 118.05 3g5i s ILE 182 Ca 0.00 1.20 -0.34 0.00 0.00 0.00 0.00 60.65 61.52 3g5i s ILE 182 Cb 0.00 -3.92 -0.14 0.00 0.01 0.00 0.00 42.46 38.42 3g5i s ILE 182 CO 0.00 0.39 1.54 -2.65 0.00 0.00 0.00 174.94 174.23 3g5i n PRO 183 N 2.94 2.09 -4.67 2.79 -0.02 -1.26 -4.80 135.00 132.07 3g5i n PRO 183 Ca -0.07 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.83 3g5i n PRO 183 Cb 0.51 -2.50 -0.12 0.00 -0.02 0.00 0.00 33.50 31.37 3g5i n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3g5i s VAL 184 N 0.74 3.50 -0.12 -1.45 1.01 -1.21 -1.34 120.40 121.54 3g5i s VAL 184 Ca 0.77 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3g5i s VAL 184 Cb -0.69 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3g5i s VAL 184 CO 0.40 0.57 -0.17 -0.69 0.00 0.00 0.00 175.10 175.21 3g5i s VAL 185 N -0.42 2.74 -0.19 2.92 1.01 0.17 0.13 120.40 126.75 3g5i s VAL 185 Ca 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3g5i s VAL 185 Cb -0.12 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.17 3g5i s VAL 185 CO 0.02 0.54 -0.17 -0.32 0.00 0.00 0.00 175.10 175.17 3g5i s MET 186 N 0.33 2.66 -0.68 2.72 1.75 0.12 -0.20 119.30 126.00 3g5i s MET 186 Ca -0.13 -0.88 -0.16 0.00 -1.25 0.00 0.00 55.69 53.27 3g5i s MET 186 Cb -0.16 -2.54 0.16 0.00 2.84 0.00 0.00 34.83 35.13 3g5i s MET 186 CO 0.07 -0.30 0.66 0.00 -0.65 0.00 0.00 175.02 174.80 3g5i s ALA 187 N 1.30 3.77 0.32 4.11 0.00 0.17 -1.85 121.76 129.58 3g5i s ALA 187 Ca 0.02 -2.82 0.05 0.00 0.00 0.00 0.00 51.96 49.21 3g5i s ALA 187 Cb -0.14 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.58 3g5i s ALA 187 CO -0.11 -2.22 0.43 0.41 0.00 0.00 0.00 175.76 174.27 3g5i n GLY 188 N 4.77 1.90 0.27 0.00 0.00 -1.24 -1.90 105.19 109.00 3g5i n GLY 188 Ca -0.01 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 43.96 3g5i n GLY 188 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g5i h LEU 189 N 0.00 0.00 -0.74 0.99 3.38 -1.37 -1.25 115.31 116.32 3g5i h LEU 189 Ca -0.14 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.96 3g5i h LEU 189 Cb 0.66 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 3g5i h LEU 189 CO 0.20 0.07 0.28 0.44 0.09 0.00 0.00 178.44 179.52 3g5i h ASP 190 N 0.00 0.26 0.09 -0.43 3.32 -1.86 -1.56 116.42 116.24 3g5i h ASP 190 Ca -0.00 0.11 -0.35 0.00 0.02 0.00 0.00 57.03 56.80 3g5i h ASP 190 Cb 0.16 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3g5i h ASP 190 CO 0.01 0.10 -1.96 0.55 -1.72 0.00 0.00 179.24 176.22 3g5i n VAL 191 N -5.01 1.71 0.07 -1.35 3.14 -0.87 -4.31 118.33 111.72 3g5i n VAL 191 Ca 0.14 -0.55 -0.01 0.00 -2.96 0.00 0.00 64.34 60.95 3g5i n VAL 191 Cb 0.40 -1.75 0.26 0.00 -1.06 0.00 0.00 33.84 31.69 3g5i n VAL 191 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 3g5i h THR 192 N -0.12 1.26 0.00 1.55 1.35 -1.15 0.11 112.91 115.91 3g5i h THR 192 Ca -0.44 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 3g5i h THR 192 Cb 1.90 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 3g5i h THR 192 CO 0.01 0.38 0.00 0.45 -0.25 0.00 0.00 175.52 176.11 3g5i h HIS 193 N 0.29 0.00 0.00 4.73 -0.00 -1.51 -1.76 115.15 116.90 3g5i h HIS 193 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3g5i h HIS 193 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 3g5i h HIS 193 CO 0.01 0.00 -0.95 0.87 -0.00 0.00 0.00 177.93 177.87 3g5i h LYS 194 N 0.00 0.00 -2.38 2.45 1.57 -0.99 -3.40 116.57 113.82 3g5i h LYS 194 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3g5i h LYS 194 Cb 0.15 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.34 3g5i h LYS 194 CO 0.00 0.00 1.57 0.00 -0.57 0.00 0.00 179.45 180.45 3g5i n ALA 195 N -2.14 6.74 -1.85 3.86 0.00 -0.66 -4.73 120.51 121.73 3g5i n ALA 195 Ca 0.00 -3.38 -0.38 0.00 0.00 0.00 0.00 53.44 49.69 3g5i n ALA 195 Cb 0.54 -2.59 -0.06 0.00 0.00 0.00 0.00 19.45 17.34 3g5i n ALA 195 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3g5i s GLN 196 N -0.62 4.59 -0.30 0.00 -0.21 -1.26 -1.96 119.66 119.89 3g5i s GLN 196 Ca 0.60 1.26 -0.09 0.00 0.02 0.00 0.00 55.36 57.15 3g5i s GLN 196 Cb 0.27 -2.98 -0.01 0.00 1.00 0.00 0.00 33.01 31.29 3g5i s GLN 196 CO -0.12 0.39 0.13 0.42 -2.12 0.00 0.00 175.29 173.99 3g5i s ILE 197 N -1.45 4.47 0.62 1.08 -1.09 -0.09 -4.89 121.20 119.85 3g5i s ILE 197 Ca 0.45 -0.42 -0.07 0.00 -2.23 0.00 0.00 60.65 58.39 3g5i s ILE 197 Cb -0.20 -3.25 0.02 0.00 -1.58 0.00 0.00 42.46 37.44 3g5i s ILE 197 CO 0.25 0.11 0.94 -1.00 -1.23 0.00 0.00 174.94 174.01 3g5i s HIS 198 N 1.60 3.21 0.33 3.97 3.76 -1.26 -1.57 115.29 125.33 3g5i s HIS 198 Ca 0.05 0.65 0.03 0.00 -0.15 0.00 0.00 55.06 55.64 3g5i s HIS 198 Cb -0.17 -2.84 0.63 0.00 1.11 0.00 0.00 32.58 31.32 3g5i s HIS 198 CO 0.05 -0.94 1.93 -0.39 -0.85 0.00 0.00 174.74 174.54 3g5i h VAL 199 N -0.29 1.04 -0.73 -0.90 -1.51 -1.99 -1.52 116.25 110.35 3g5i h VAL 199 Ca -0.45 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 64.69 3g5i h VAL 199 Cb 1.26 0.06 -0.03 0.00 -2.13 0.00 0.00 31.29 30.45 3g5i h VAL 199 CO 0.61 0.16 0.39 -0.33 -1.23 0.00 0.00 177.57 177.18 3g5i h GLU 200 N 0.90 1.02 -0.85 5.19 3.07 -1.99 -1.85 114.58 120.07 3g5i h GLU 200 Ca 0.36 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 3g5i h GLU 200 Cb 0.24 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 3g5i h GLU 200 CO -0.13 0.77 0.48 -0.44 -1.40 0.00 0.00 179.01 178.28 3g5i h ASP 201 N 1.01 1.06 0.11 1.42 3.32 -1.67 -0.70 116.42 120.97 3g5i h ASP 201 Ca 0.26 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 3g5i h ASP 201 Cb 0.05 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3g5i h ASP 201 CO -0.04 0.85 -0.31 0.74 -1.72 0.00 0.00 179.24 178.75 3g5i h THR 202 N 1.19 1.27 -0.31 0.35 2.02 -1.17 -1.32 112.91 114.95 3g5i h THR 202 Ca 0.30 -1.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.04 3g5i h THR 202 Cb 0.02 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3g5i h THR 202 CO -0.05 0.40 -0.30 -0.33 0.37 0.00 0.00 175.52 175.61 3g5i h GLU 203 N 0.27 0.65 -0.02 6.66 4.39 -0.96 -1.43 114.58 124.14 3g5i h GLU 203 Ca 0.04 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 3g5i h GLU 203 Cb 0.70 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3g5i h GLU 203 CO 0.05 0.87 0.01 -0.09 -1.16 0.00 0.00 179.01 178.70 3g5i h ARG 204 N 0.56 0.03 -0.55 2.33 2.43 -0.59 -1.02 114.38 117.58 3g5i h ARG 204 Ca 0.07 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3g5i h ARG 204 Cb 0.79 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 3g5i h ARG 204 CO 0.07 0.13 0.33 0.74 -1.51 0.00 0.00 179.97 179.73 3g5i h PHE 205 N -0.07 0.62 -0.24 2.20 0.04 -1.10 -2.12 116.94 116.27 3g5i h PHE 205 Ca 0.01 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3g5i h PHE 205 Cb 0.10 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 3g5i h PHE 205 CO -0.04 0.36 0.00 -0.09 -0.60 0.00 0.00 178.31 177.94 3g5i h ARG 206 N 0.66 0.36 0.00 1.51 2.43 -1.15 -2.30 114.38 115.89 3g5i h ARG 206 Ca 0.22 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3g5i h ARG 206 Cb 0.01 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3g5i h ARG 206 CO -0.09 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.75 3g5i n ALA 207 N -2.49 1.82 0.21 2.80 0.00 -0.40 -3.44 120.51 119.02 3g5i n ALA 207 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.48 3g5i n ALA 207 Cb 0.20 -1.32 0.47 0.00 0.00 0.00 0.00 19.45 18.81 3g5i n ALA 207 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3g5i h ILE 208 N 0.00 0.91 -2.55 0.00 2.04 -1.27 -3.47 117.51 113.17 3g5i h ILE 208 Ca 0.00 -1.09 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 3g5i h ILE 208 Cb 0.34 1.64 0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3g5i h ILE 208 CO 0.00 0.28 -0.20 0.61 0.00 0.00 0.00 178.15 178.84 3g5i n GLY 209 N -0.33 0.45 3.32 5.37 0.00 -1.22 -5.04 105.19 107.75 3g5i n GLY 209 Ca -0.01 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 3g5i n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5i s ASN 210 N -3.16 1.77 0.39 1.61 2.20 -1.26 -5.02 114.94 111.48 3g5i s ASN 210 Ca 0.13 -1.22 0.09 0.00 -0.94 0.00 0.00 52.86 50.92 3g5i s ASN 210 Cb -0.06 0.02 0.86 0.00 -2.00 0.00 0.00 41.25 40.07 3g5i s ASN 210 CO 0.21 -0.52 1.98 -0.65 -2.94 0.00 0.00 177.10 175.17 3g5i h PRO 211 N 2.48 0.59 -0.05 3.55 0.11 -1.98 -1.55 132.00 135.14 3g5i h PRO 211 Ca -0.38 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.55 3g5i h PRO 211 Cb 1.22 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.21 3g5i h PRO 211 CO 0.64 0.39 -0.53 0.28 -0.21 0.00 0.00 178.00 178.57 3g5i h VAL 212 N 0.61 1.40 0.00 3.15 2.07 -1.95 -1.95 116.25 119.57 3g5i h VAL 212 Ca 0.28 -1.93 -0.08 0.00 0.82 0.00 0.00 66.70 65.79 3g5i h VAL 212 Cb 0.33 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 3g5i h VAL 212 CO -0.09 0.57 -0.40 0.77 0.02 0.00 0.00 177.57 178.45 3g5i h SER 213 N -0.01 0.00 0.05 0.57 4.64 -1.80 -0.43 113.55 116.57 3g5i h SER 213 Ca -0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3g5i h SER 213 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3g5i h SER 213 CO 0.11 0.40 -0.02 0.74 -0.87 0.00 0.00 176.83 177.18 3g5i h THR 214 N 0.00 0.96 -0.20 2.95 2.02 -1.24 -1.34 112.91 116.06 3g5i h THR 214 Ca -0.00 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3g5i h THR 214 Cb 0.76 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3g5i h THR 214 CO 0.05 0.00 0.10 0.40 0.37 0.00 0.00 175.52 176.45 3g5i h ILE 215 N -0.07 1.00 -0.87 3.11 1.08 -0.52 -1.22 117.51 120.01 3g5i h ILE 215 Ca -0.01 -0.07 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 3g5i h ILE 215 Cb 0.06 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 34.51 3g5i h ILE 215 CO 0.01 0.04 0.54 0.58 -0.69 0.00 0.00 178.15 178.63 3g5i h VAL 216 N 0.22 1.02 -0.37 1.67 2.07 -1.07 0.23 116.25 120.02 3g5i h VAL 216 Ca 0.08 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3g5i h VAL 216 Cb 0.01 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 3g5i h VAL 216 CO -0.05 0.18 0.01 0.00 0.02 0.00 0.00 177.57 177.72 3g5i h ALA 217 N 1.42 0.49 -0.09 1.67 0.00 -0.84 -2.19 119.26 119.73 3g5i h ALA 217 Ca 0.39 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3g5i h ALA 217 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3g5i h ALA 217 CO -0.19 0.25 -0.20 0.93 0.00 0.00 0.00 179.25 180.05 3g5i h GLU 218 N 0.46 0.14 -0.26 0.00 5.08 -0.97 0.11 114.58 119.15 3g5i h GLU 218 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3g5i h GLU 218 Cb 0.45 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3g5i h GLU 218 CO 0.02 0.34 0.14 -0.07 -1.00 0.00 0.00 179.01 178.44 3g5i h LEU 219 N 0.13 0.32 -0.81 1.33 3.38 -0.86 -2.69 115.31 116.11 3g5i h LEU 219 Ca 0.02 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3g5i h LEU 219 Cb 0.43 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3g5i h LEU 219 CO 0.03 0.32 -0.37 -0.07 0.09 0.00 0.00 178.44 178.43 3g5i h LEU 220 N 0.30 0.46 -0.50 1.67 3.38 -0.91 -2.90 115.31 116.81 3g5i h LEU 220 Ca 0.09 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3g5i h LEU 220 Cb 0.07 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 3g5i h LEU 220 CO -0.01 0.80 0.02 0.44 0.09 0.00 0.00 178.44 179.77 3g5i h ASP 221 N 0.37 -0.17 0.19 -0.43 5.19 -0.68 -2.32 116.42 118.57 3g5i h ASP 221 Ca 0.04 0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3g5i h ASP 221 Cb 0.83 0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.50 3g5i h ASP 221 CO 0.07 -0.05 -0.29 0.15 -3.12 0.00 0.00 179.24 175.99 3g5i h PHE 222 N 0.14 -0.79 0.00 4.55 3.57 -1.29 -1.93 116.94 121.19 3g5i h PHE 222 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3g5i h PHE 222 Cb 0.38 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3g5i h PHE 222 CO -0.30 -0.41 0.00 1.19 -2.23 0.00 0.00 178.31 176.57 3g5i n PHE 223 N -5.40 0.00 -3.74 0.41 3.72 -0.88 -5.13 117.46 106.43 3g5i n PHE 223 Ca -0.08 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.20 3g5i n PHE 223 Cb 0.31 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.74 3g5i n PHE 223 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3g5i s LEU 224 N -0.55 0.47 0.00 4.37 1.02 -0.73 -4.84 118.68 118.42 3g5i s LEU 224 Ca 0.00 0.67 0.00 0.00 0.02 0.00 0.00 54.13 54.82 3g5i s LEU 224 Cb 0.00 1.06 0.00 0.00 0.02 0.00 0.00 46.19 47.27 3g5i s LEU 224 CO 0.00 -0.15 0.01 -0.62 0.02 0.00 0.00 176.35 175.61 3g5i n GLU 230 N 3.58 0.00 0.07 1.70 1.02 -1.26 -5.07 120.64 120.69 3g5i n GLU 230 Ca -0.19 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.81 3g5i n GLU 230 Cb 0.56 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.84 3g5i n GLU 230 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3g5i h LYS 231 N 0.00 0.21 0.00 3.49 2.10 -2.08 -3.29 116.57 117.00 3g5i h LYS 231 Ca 0.00 -0.35 -0.03 0.00 -2.00 0.00 0.00 60.65 58.27 3g5i h LYS 231 Cb 0.26 0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3g5i h LYS 231 CO 0.00 1.11 -0.12 -1.49 -2.00 0.00 0.00 179.45 176.94 3g5i h TRP 232 N 0.06 0.00 -4.34 0.07 6.55 -2.05 -3.47 115.95 112.76 3g5i h TRP 232 Ca -0.17 0.00 -0.34 0.00 0.95 0.00 0.00 58.89 59.34 3g5i h TRP 232 Cb 1.96 0.00 0.08 0.00 -0.86 0.00 0.00 29.16 30.34 3g5i h TRP 232 CO 0.05 0.12 -0.53 0.41 -1.05 0.00 0.00 178.44 177.44 3g5i n GLY 233 N -0.69 -0.31 3.77 1.49 0.00 -1.24 -4.98 105.19 103.22 3g5i n GLY 233 Ca -0.02 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3g5i n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g5i s PHE 234 N -3.16 3.12 0.19 1.61 0.08 -1.26 -4.96 117.98 113.60 3g5i s PHE 234 Ca 0.36 1.47 -0.05 0.00 0.12 0.00 0.00 56.93 58.83 3g5i s PHE 234 Cb -0.16 -3.60 0.12 0.00 -0.57 0.00 0.00 43.02 38.82 3g5i s PHE 234 CO 0.44 -1.62 1.56 0.28 -0.10 0.00 0.00 175.22 175.77 3g5i h VAL 235 N 2.96 1.29 -2.75 -0.44 2.07 -1.96 -3.47 116.25 113.94 3g5i h VAL 235 Ca -0.49 -1.54 -0.11 0.00 0.82 0.00 0.00 66.70 65.38 3g5i h VAL 235 Cb 1.23 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 3g5i h VAL 235 CO 0.65 0.50 -0.07 0.61 0.02 0.00 0.00 177.57 179.29 3g5i n GLY 236 N 0.01 2.89 3.68 2.17 0.00 -1.26 -4.81 105.19 107.87 3g5i n GLY 236 Ca -0.02 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 3g5i n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5i s ALA 237 N -2.06 3.44 0.47 4.61 0.00 -0.61 -4.58 121.76 123.03 3g5i s ALA 237 Ca 0.11 0.28 -0.24 0.00 0.00 0.00 0.00 51.96 52.11 3g5i s ALA 237 Cb -0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 3g5i s ALA 237 CO 0.08 -0.62 1.30 -0.35 0.00 0.00 0.00 175.76 176.17 3g5i n PRO 238 N 5.07 1.86 -3.96 0.00 -0.04 -1.26 -0.91 135.00 135.77 3g5i n PRO 238 Ca 0.08 0.67 -0.31 0.00 -0.04 0.00 0.00 63.50 63.90 3g5i n PRO 238 Cb 0.49 -2.46 -0.15 0.00 -0.04 0.00 0.00 33.50 31.34 3g5i n PRO 238 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3g5i s LEU 239 N -2.27 4.26 -0.06 1.53 2.96 -0.83 -4.87 118.68 119.40 3g5i s LEU 239 Ca 0.64 -2.27 -0.02 0.00 -0.22 0.00 0.00 54.13 52.27 3g5i s LEU 239 Cb -0.47 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 3g5i s LEU 239 CO 0.55 -0.35 0.10 0.45 -1.32 0.00 0.00 176.35 175.78 3g5i h HIS 240 N 7.43 -0.06 -0.78 5.38 3.86 -1.87 -3.39 115.15 125.72 3g5i h HIS 240 Ca -0.06 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 3g5i h HIS 240 Cb 0.99 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.45 3g5i h HIS 240 CO 0.46 -0.04 0.34 -0.44 0.86 0.00 0.00 177.93 179.11 3g5i h ASP 241 N -0.69 1.03 0.11 2.45 3.32 -1.94 -2.21 116.42 118.49 3g5i h ASP 241 Ca -0.01 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3g5i h ASP 241 Cb 0.05 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3g5i h ASP 241 CO 0.01 0.89 0.00 -2.65 -1.72 0.00 0.00 179.24 175.77 3g5i n PRO 242 N -4.30 0.11 0.22 3.56 -0.02 -1.26 -1.79 135.00 131.52 3g5i n PRO 242 Ca 0.07 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 62.17 3g5i n PRO 242 Cb 0.16 -1.82 0.50 0.00 -0.02 0.00 0.00 33.50 32.33 3g5i n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g5i h THR 244 N 0.00 1.00 -0.27 0.00 1.35 -1.55 -0.85 112.91 112.60 3g5i h THR 244 Ca -0.00 -0.08 -0.16 0.00 -0.55 0.00 0.00 66.41 65.62 3g5i h THR 244 Cb 0.35 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3g5i h THR 244 CO 0.03 0.02 -0.46 0.40 -0.25 0.00 0.00 175.52 175.25 3g5i h ILE 245 N -0.06 1.29 -0.78 6.82 1.08 -1.68 -2.91 117.51 121.27 3g5i h ILE 245 Ca -0.00 -1.66 0.06 0.00 -0.39 0.00 0.00 64.86 62.87 3g5i h ILE 245 Cb 0.05 1.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.44 3g5i h ILE 245 CO 0.00 0.53 0.51 0.00 -0.69 0.00 0.00 178.15 178.51 3g5i h ALA 246 N 0.66 1.62 -0.29 1.87 0.00 -0.87 -0.86 119.26 121.38 3g5i h ALA 246 Ca 0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3g5i h ALA 246 Cb 1.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3g5i h ALA 246 CO 0.10 0.27 -0.27 2.35 0.00 0.00 0.00 179.25 181.71 3g5i h TRP 247 N 0.87 0.66 -0.14 0.00 7.01 -1.06 0.52 115.95 123.81 3g5i h TRP 247 Ca 0.33 -0.15 -0.18 0.00 2.11 0.00 0.00 58.89 61.00 3g5i h TRP 247 Cb 0.19 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 3g5i h TRP 247 CO -0.00 0.79 -0.66 -0.07 -2.79 0.00 0.00 178.44 175.71 3g5i h LEU 248 N 0.51 0.62 -0.00 0.65 3.38 -1.23 -2.75 115.31 116.49 3g5i h LEU 248 Ca 0.07 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3g5i h LEU 248 Cb 0.72 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3g5i h LEU 248 CO 0.06 1.11 -0.01 -0.07 0.09 0.00 0.00 178.44 179.62 3g5i h LEU 249 N 0.39 0.01 -6.15 1.67 3.38 -0.93 -3.42 115.31 110.25 3g5i h LEU 249 Ca -0.02 -0.79 -0.57 0.00 0.09 0.00 0.00 57.88 56.59 3g5i h LEU 249 Cb 1.23 -0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.59 3g5i h LEU 249 CO 0.12 0.80 -1.01 0.29 0.09 0.00 0.00 178.44 178.73 3g5i n LYS 250 N -4.70 0.75 0.33 1.13 4.76 0.18 -4.95 118.16 115.65 3g5i n LYS 250 Ca -0.09 -3.37 0.22 0.00 -2.87 0.00 0.00 58.31 52.20 3g5i n LYS 250 Cb 0.39 -1.46 1.16 0.00 -1.84 0.00 0.00 35.03 33.29 3g5i n LYS 250 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3g5i h PRO 251 N 4.52 0.00 0.00 1.97 0.13 -1.64 0.25 132.00 137.22 3g5i h PRO 251 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3g5i h PRO 251 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3g5i h PRO 251 CO 0.47 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.39 3g5i n GLU 252 N -3.06 0.18 0.27 0.86 0.00 -1.26 -1.57 120.64 116.06 3g5i n GLU 252 Ca -0.03 0.40 0.15 0.00 0.00 0.00 0.00 57.16 57.68 3g5i n GLU 252 Cb 0.09 -1.83 0.74 0.00 0.00 0.00 0.00 31.44 30.44 3g5i n GLU 252 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3g5i h LEU 253 N 0.00 0.00 -9.51 -1.84 3.38 -1.30 -3.46 115.31 102.58 3g5i h LEU 253 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3g5i h LEU 253 Cb 0.36 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.00 3g5i h LEU 253 CO 0.00 0.08 -0.66 -0.36 0.09 0.00 0.00 178.44 177.60 3g5i s PHE 254 N -3.90 2.87 -0.11 1.13 0.08 -0.61 -1.09 117.98 116.35 3g5i s PHE 254 Ca -0.01 -0.12 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 3g5i s PHE 254 Cb 0.11 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 3g5i s PHE 254 CO 0.55 0.51 -0.04 0.99 -0.10 0.00 0.00 175.22 177.13 3g5i s THR 255 N -1.67 3.87 0.05 0.64 2.01 -0.19 -4.97 115.64 115.38 3g5i s THR 255 Ca 0.27 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 61.85 3g5i s THR 255 Cb -0.10 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 3g5i s THR 255 CO 0.19 0.55 0.03 -0.94 -0.69 0.00 0.00 174.62 173.76 3g5i s SER 256 N -0.27 0.34 0.07 3.53 1.04 -1.26 -0.73 113.70 116.42 3g5i s SER 256 Ca 0.04 -0.80 0.08 0.00 0.48 0.00 0.00 55.95 55.76 3g5i s SER 256 Cb -0.13 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 3g5i s SER 256 CO 0.02 -0.58 -0.23 0.68 0.98 0.00 0.00 173.24 174.12 3g5i s VAL 257 N -3.42 1.86 -0.36 5.02 -7.23 0.23 -4.92 120.40 111.58 3g5i s VAL 257 Ca 0.02 -1.41 -0.17 0.00 -1.81 0.00 0.00 61.98 58.61 3g5i s VAL 257 Cb 0.04 -1.63 -0.00 0.00 0.56 0.00 0.00 36.38 35.34 3g5i s VAL 257 CO -0.08 0.15 0.45 -1.61 -0.31 0.00 0.00 175.10 173.70 3g5i s GLU 258 N -1.51 3.52 0.16 4.82 2.02 -1.26 0.47 118.70 126.92 3g5i s GLU 258 Ca 0.09 -0.35 -0.02 0.00 0.02 0.00 0.00 54.97 54.72 3g5i s GLU 258 Cb -0.10 -3.83 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 3g5i s GLU 258 CO 0.03 -0.64 0.10 1.03 0.02 0.00 0.00 175.26 175.81 3g5i s ARG 259 N 2.23 1.05 0.20 1.61 1.81 -0.45 -4.92 118.95 120.48 3g5i s ARG 259 Ca 0.15 -1.49 -0.30 0.00 -1.72 0.00 0.00 55.73 52.37 3g5i s ARG 259 Cb -0.16 0.26 -0.08 0.00 -0.45 0.00 0.00 34.95 34.52 3g5i s ARG 259 CO 0.13 -0.32 1.00 -0.46 -0.68 0.00 0.00 175.30 174.97 3g5i s TRP 260 N -4.09 3.80 -0.08 -0.53 -0.00 -1.26 -2.42 118.94 114.36 3g5i s TRP 260 Ca 0.29 1.79 0.02 0.00 -0.00 0.00 0.00 56.10 58.20 3g5i s TRP 260 Cb 0.07 -3.11 0.01 0.00 -0.00 0.00 0.00 33.47 30.44 3g5i s TRP 260 CO 0.06 0.02 -0.14 0.08 -0.00 0.00 0.00 176.95 176.96 3g5i s VAL 261 N -0.67 1.35 0.07 5.86 1.01 -1.26 -0.48 120.40 126.28 3g5i s VAL 261 Ca 0.45 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.92 3g5i s VAL 261 Cb -0.27 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3g5i s VAL 261 CO 0.33 0.41 -0.17 -0.83 0.00 0.00 0.00 175.10 174.84 3g5i s GLY 262 N 0.76 1.65 -0.15 4.51 0.00 0.76 -4.90 107.32 109.94 3g5i s GLY 262 Ca -0.12 -1.25 -0.03 0.00 0.00 0.00 0.00 44.72 43.32 3g5i s GLY 262 CO 0.03 -1.18 -0.05 0.14 0.00 0.00 0.00 173.10 172.04 3g5i s VAL 263 N -1.04 3.80 -0.07 1.40 1.01 -1.26 0.09 120.40 124.33 3g5i s VAL 263 Ca 0.17 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 3g5i s VAL 263 Cb -0.11 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3g5i s VAL 263 CO 0.08 0.50 1.01 -0.70 0.00 0.00 0.00 175.10 175.99 3g5i s GLU 264 N 0.31 4.46 0.00 2.72 2.56 -0.34 -4.83 118.70 123.59 3g5i s GLU 264 Ca -0.04 1.42 0.01 0.00 0.00 0.00 0.00 54.97 56.35 3g5i s GLU 264 Cb -0.14 -3.51 -0.00 0.00 2.00 0.00 0.00 34.13 32.47 3g5i s GLU 264 CO 0.03 -0.24 0.12 0.25 -0.56 0.00 0.00 175.26 174.86 3g5i n THR 265 N 4.34 0.00 0.00 -1.70 -2.24 -1.26 -0.70 114.28 112.72 3g5i n THR 265 Ca 0.08 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3g5i n THR 265 Cb 0.49 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 3g5i n THR 265 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g5i n GLN 266 N -0.82 3.37 -1.87 -0.78 6.02 -1.26 -4.94 117.38 117.10 3g5i n GLN 266 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 3g5i n GLN 266 Cb 0.01 -0.73 0.05 0.00 1.02 0.00 0.00 30.24 30.59 3g5i n GLN 266 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3g5i s GLY 267 N -1.44 2.82 0.23 1.08 0.00 -1.26 -4.92 107.32 103.83 3g5i s GLY 267 Ca 0.00 1.14 -0.07 0.00 0.00 0.00 0.00 44.72 45.79 3g5i s GLY 267 CO 0.00 1.56 1.85 1.70 0.00 0.00 0.00 173.10 178.22 3g5i h LYS 268 N 0.83 0.93 -0.00 2.90 3.64 -2.02 -3.35 116.57 119.51 3g5i h LYS 268 Ca -0.51 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3g5i h LYS 268 Cb 1.31 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3g5i h LYS 268 CO 0.55 0.62 -0.09 0.66 -2.27 0.00 0.00 179.45 178.91 3g5i n TYR 269 N -4.62 0.00 -1.48 1.91 4.01 -1.26 -4.77 117.16 110.95 3g5i n TYR 269 Ca 0.11 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.91 3g5i n TYR 269 Cb 0.14 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.25 3g5i n TYR 269 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3g5i n THR 270 N -0.49 1.07 -1.81 -0.72 -2.24 -1.25 -4.71 114.28 104.14 3g5i n THR 270 Ca 0.01 -1.30 -0.42 0.00 -2.27 0.00 0.00 64.05 60.08 3g5i n THR 270 Cb 0.08 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 3g5i n THR 270 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3g5i s GLN 271 N -1.63 4.16 0.00 -0.78 -0.21 -1.26 -1.81 119.66 118.13 3g5i s GLN 271 Ca 0.18 2.50 0.00 0.00 0.02 0.00 0.00 55.36 58.06 3g5i s GLN 271 Cb 0.16 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.79 3g5i s GLN 271 CO 0.02 -0.75 0.00 0.41 -2.12 0.00 0.00 175.29 172.84 3g5i n GLY 272 N 4.03 0.75 3.75 3.09 0.00 0.13 -4.71 105.19 112.23 3g5i n GLY 272 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3g5i n GLY 272 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3g5i s MET 273 N -0.63 4.23 -0.32 1.61 0.00 -0.75 -4.31 119.30 119.13 3g5i s MET 273 Ca 0.00 2.38 -0.19 0.00 0.00 0.00 0.00 55.69 57.88 3g5i s MET 273 Cb 0.00 -3.07 -0.01 0.00 0.00 0.00 0.00 34.83 31.75 3g5i s MET 273 CO 0.00 -0.44 0.55 0.95 0.00 0.00 0.00 175.02 176.08 3g5i s THR 274 N -0.29 4.99 -0.38 10.11 -4.23 -1.26 -1.20 115.64 123.38 3g5i s THR 274 Ca 0.58 0.58 -0.16 0.00 -1.18 0.00 0.00 61.69 61.51 3g5i s THR 274 Cb -0.43 -3.96 0.01 0.00 1.34 0.00 0.00 72.50 69.45 3g5i s THR 274 CO 0.48 -0.16 0.41 -0.69 -0.54 0.00 0.00 174.62 174.12 3g5i s VAL 275 N 2.47 5.12 -0.20 2.29 1.01 0.11 -4.60 120.40 126.60 3g5i s VAL 275 Ca 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 3g5i s VAL 275 Cb -0.15 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 3g5i s VAL 275 CO 0.12 -0.26 -0.04 -0.69 0.00 0.00 0.00 175.10 174.23 3g5i s VAL 276 N 2.10 3.57 -1.33 2.92 1.01 -1.26 -0.17 120.40 127.24 3g5i s VAL 276 Ca 0.12 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 3g5i s VAL 276 Cb -0.17 -2.60 0.13 0.00 0.00 0.00 0.00 36.38 33.74 3g5i s VAL 276 CO 0.13 0.44 1.95 -0.67 0.00 0.00 0.00 175.10 176.94 3g5i n ASP 277 N 4.38 4.76 0.10 3.32 2.03 0.36 -4.74 116.55 126.76 3g5i n ASP 277 Ca -0.18 -3.03 0.00 0.00 0.52 0.00 0.00 54.79 52.11 3g5i n ASP 277 Cb 0.51 -1.54 0.31 0.00 -0.72 0.00 0.00 41.12 39.69 3g5i n ASP 277 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 3g5i h TYR 278 N 5.92 0.28 -0.48 -0.67 3.20 -1.95 -2.97 116.97 120.30 3g5i h TYR 278 Ca 0.44 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.26 3g5i h TYR 278 Cb 0.65 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3g5i h TYR 278 CO 1.30 0.49 0.00 0.66 -1.64 0.00 0.00 178.16 178.97 3g5i n TYR 279 N -4.16 1.40 -3.47 -3.82 4.01 -1.26 -5.00 117.16 104.86 3g5i n TYR 279 Ca -0.01 -0.72 -0.21 0.00 -0.16 0.00 0.00 57.90 56.81 3g5i n TYR 279 Cb 0.36 -0.32 0.06 0.00 -0.31 0.00 0.00 39.34 39.12 3g5i n TYR 279 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3g5i n TYR 280 N 0.41 -2.19 0.10 -0.72 4.01 -1.12 -4.94 117.16 112.71 3g5i n TYR 280 Ca 0.24 0.76 0.11 0.00 -0.16 0.00 0.00 57.90 58.84 3g5i n TYR 280 Cb 0.94 -4.11 -0.13 0.00 -0.31 0.00 0.00 39.34 35.73 3g5i n TYR 280 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3g5i n LEU 281 N -3.78 0.21 -4.99 7.72 4.77 -1.26 -4.96 117.00 114.71 3g5i n LEU 281 Ca -0.14 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.63 3g5i n LEU 281 Cb 0.63 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.78 3g5i n LEU 281 CO 0.63 -0.01 0.43 0.42 -1.33 0.00 0.00 177.39 177.53 3g5i s THR 282 N -3.45 2.37 -0.93 -5.08 -4.23 -1.26 -4.99 115.64 98.07 3g5i s THR 282 Ca -0.05 -0.72 0.25 0.00 -1.18 0.00 0.00 61.69 59.99 3g5i s THR 282 Cb 0.14 -2.65 0.22 0.00 1.34 0.00 0.00 72.50 71.54 3g5i s THR 282 CO 0.89 0.00 1.78 0.61 -0.54 0.00 0.00 174.62 177.36 3g5i n GLY 283 N -2.50 -1.39 3.74 3.99 0.00 -1.26 -4.97 105.19 102.80 3g5i n GLY 283 Ca 0.12 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3g5i n GLY 283 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g5i s ASN 284 N -3.29 7.45 0.09 1.61 0.01 -1.26 -4.97 114.94 114.57 3g5i s ASN 284 Ca 0.11 2.02 -0.31 0.00 -0.71 0.00 0.00 52.86 53.98 3g5i s ASN 284 Cb 0.15 -2.61 -0.07 0.00 0.41 0.00 0.00 41.25 39.13 3g5i s ASN 284 CO 0.47 -0.04 1.37 -0.75 -1.51 0.00 0.00 177.10 176.63 3g5i s LYS 285 N -0.82 4.33 0.21 -0.60 2.47 -1.26 -4.68 119.74 119.40 3g5i s LYS 285 Ca 0.45 2.02 -0.31 0.00 -1.56 0.00 0.00 55.97 56.57 3g5i s LYS 285 Cb -0.28 -3.31 -0.15 0.00 -1.46 0.00 0.00 37.83 32.63 3g5i s LYS 285 CO 0.34 -0.43 1.03 -2.30 0.16 0.00 0.00 175.35 174.15 3g5i n PRO 286 N 4.14 1.06 0.00 4.03 -0.02 -1.26 -4.58 135.00 138.36 3g5i n PRO 286 Ca 0.11 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3g5i n PRO 286 Cb 0.43 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3g5i n PRO 286 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3g5i n ASN 287 N 1.71 1.21 -3.67 2.55 6.94 -1.05 -4.83 115.26 118.12 3g5i n ASN 287 Ca 0.14 -1.49 -0.13 0.00 -0.02 0.00 0.00 54.58 53.07 3g5i n ASN 287 Cb 0.27 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.62 3g5i n ASN 287 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g5i s ALA 288 N -0.49 -1.03 -0.30 -2.53 0.00 -1.02 -3.30 121.76 113.09 3g5i s ALA 288 Ca 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.28 3g5i s ALA 288 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 3g5i s ALA 288 CO 0.00 -0.40 0.14 0.99 0.00 0.00 0.00 175.76 176.48 3g5i s THR 289 N -2.09 4.53 -0.24 0.00 2.01 0.12 -1.34 115.64 118.64 3g5i s THR 289 Ca -0.08 -0.39 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 3g5i s THR 289 Cb -0.02 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 3g5i s THR 289 CO 0.00 0.11 0.05 -0.69 -0.69 0.00 0.00 174.62 173.41 3g5i s VAL 290 N 1.61 4.21 0.15 3.82 1.01 0.18 0.12 120.40 131.49 3g5i s VAL 290 Ca 0.05 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 3g5i s VAL 290 Cb -0.17 -2.95 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 3g5i s VAL 290 CO 0.06 0.36 1.06 -0.04 0.00 0.00 0.00 175.10 176.54 3g5i s MET 291 N 1.45 4.61 0.00 2.72 -1.94 -0.77 -0.60 119.30 124.78 3g5i s MET 291 Ca 0.05 1.64 0.00 0.00 -1.71 0.00 0.00 55.69 55.67 3g5i s MET 291 Cb -0.15 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 33.38 3g5i s MET 291 CO 0.03 0.09 0.00 1.33 -0.01 0.00 0.00 175.02 176.46 3g5i n VAL 292 N 2.63 0.00 -3.64 -6.03 0.24 0.09 -4.11 118.33 107.50 3g5i n VAL 292 Ca 0.03 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 3g5i n VAL 292 Cb 0.47 0.72 -0.05 0.00 -1.47 0.00 0.00 33.84 33.51 3g5i n VAL 292 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3g5i s ASP 293 N -0.72 -0.24 -0.03 -1.34 -1.08 -1.12 -4.48 116.67 107.65 3g5i s ASP 293 Ca 0.00 -0.29 -0.06 0.00 -0.52 0.00 0.00 52.55 51.68 3g5i s ASP 293 Cb 0.00 0.47 0.01 0.00 -1.46 0.00 0.00 42.92 41.94 3g5i s ASP 293 CO 0.00 -0.83 0.14 0.54 0.52 0.00 0.00 175.17 175.54 3g5i s VAL 294 N -3.68 0.04 -0.77 1.11 0.11 -1.26 -1.03 120.40 114.93 3g5i s VAL 294 Ca 0.02 -0.31 -0.26 0.00 -2.93 0.00 0.00 61.98 58.51 3g5i s VAL 294 Cb 0.02 -0.31 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 3g5i s VAL 294 CO -0.11 -0.17 1.72 -0.62 -3.33 0.00 0.00 175.10 172.59 3g5i s ASP 295 N -0.56 5.57 0.13 3.54 -1.08 -0.25 -4.91 116.67 119.11 3g5i s ASP 295 Ca -0.06 -0.31 -0.20 0.00 -0.52 0.00 0.00 52.55 51.46 3g5i s ASP 295 Cb -0.04 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 3g5i s ASP 295 CO 0.01 -2.26 1.72 -0.09 0.52 0.00 0.00 175.17 175.07 3g5i h ARG 296 N 12.37 0.06 -0.64 4.34 2.43 -1.90 -0.94 114.38 130.10 3g5i h ARG 296 Ca -0.11 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3g5i h ARG 296 Cb 1.08 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 3g5i h ARG 296 CO 1.26 0.04 0.35 0.37 -1.51 0.00 0.00 179.97 180.47 3g5i h GLN 297 N 0.06 0.64 -0.85 0.20 5.75 -1.94 -0.53 115.11 118.43 3g5i h GLN 297 Ca 0.10 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 3g5i h GLN 297 Cb 0.12 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 3g5i h GLN 297 CO -0.17 0.42 0.54 0.78 -2.65 0.00 0.00 178.83 177.75 3g5i h GLY 298 N 0.65 1.24 0.89 2.39 0.00 -1.84 0.23 103.07 106.62 3g5i h GLY 298 Ca 0.28 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.23 3g5i h GLY 298 CO -0.17 0.34 0.33 -2.75 0.00 0.00 0.00 176.54 174.28 3g5i h PHE 299 N 1.04 0.62 -0.47 5.60 3.57 -0.38 -0.32 116.94 126.60 3g5i h PHE 299 Ca 0.34 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.75 3g5i h PHE 299 Cb 0.04 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3g5i h PHE 299 CO -0.02 0.36 -0.15 0.28 -2.23 0.00 0.00 178.31 176.54 3g5i h VAL 300 N 0.66 1.27 -0.57 1.41 2.07 -0.53 -2.36 116.25 118.21 3g5i h VAL 300 Ca 0.22 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3g5i h VAL 300 Cb 0.01 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3g5i h VAL 300 CO -0.09 0.44 0.29 0.44 0.02 0.00 0.00 177.57 178.67 3g5i h ASP 301 N 0.80 0.73 0.16 0.57 3.32 -0.27 -2.15 116.42 119.57 3g5i h ASP 301 Ca 0.12 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3g5i h ASP 301 Cb 0.69 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3g5i h ASP 301 CO 0.05 0.63 -0.24 0.25 -1.72 0.00 0.00 179.24 178.22 3g5i h LEU 302 N 0.76 -0.66 -0.27 1.55 5.85 -0.87 0.11 115.31 121.79 3g5i h LEU 302 Ca 0.20 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.04 3g5i h LEU 302 Cb 0.09 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3g5i h LEU 302 CO -0.03 -0.33 -0.09 0.25 -0.34 0.00 0.00 178.44 177.90 3g5i h LEU 303 N -0.46 -0.31 -0.61 2.25 5.85 -1.35 -0.49 115.31 120.19 3g5i h LEU 303 Ca 0.02 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3g5i h LEU 303 Cb 0.46 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3g5i h LEU 303 CO -0.11 -0.12 0.02 0.00 -0.34 0.00 0.00 178.44 177.90 3g5i h ALA 304 N 1.22 0.82 -0.45 1.25 0.00 -1.27 0.12 119.26 120.94 3g5i h ALA 304 Ca 0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3g5i h ALA 304 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3g5i h ALA 304 CO -0.30 0.64 0.13 -0.44 0.00 0.00 0.00 179.25 179.28 3g5i h ASP 305 N 0.96 0.67 1.12 0.00 3.32 -0.49 -2.83 116.42 119.17 3g5i h ASP 305 Ca 0.17 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3g5i h ASP 305 Cb 0.53 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3g5i h ASP 305 CO 0.03 0.71 -0.27 0.03 -1.72 0.00 0.00 179.24 178.02 3g5i h ARG 306 N 0.60 0.00 0.00 3.56 2.47 -0.77 -2.81 114.38 117.42 3g5i h ARG 306 Ca 0.14 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 3g5i h ARG 306 Cb 0.29 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3g5i h ARG 306 CO -0.00 0.27 -0.06 -0.07 0.56 0.00 0.00 179.97 180.67 3g5i h LEU 307 N 0.00 0.00 -2.19 3.04 3.38 -0.72 -2.15 115.31 116.66 3g5i h LEU 307 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3g5i h LEU 307 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3g5i h LEU 307 CO 0.04 0.06 -0.06 0.11 0.09 0.00 0.00 178.44 178.68 3g5i h LYS 308 N 0.00 0.00 -1.08 1.13 1.57 -1.48 -2.57 116.57 114.13 3g5i h LYS 308 Ca -0.00 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 59.09 3g5i h LYS 308 Cb 0.19 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 3g5i h LYS 308 CO 0.01 0.06 0.77 0.35 -0.57 0.00 0.00 179.45 180.07 3g5i h PHE 309 N 0.00 0.08 -0.51 -1.35 3.57 -1.57 -0.75 116.94 116.42 3g5i h PHE 309 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3g5i h PHE 309 Cb 0.16 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3g5i h PHE 309 CO 0.00 0.01 0.00 0.66 -2.23 0.00 0.00 178.31 176.75 3g5i n TYR 310 N -4.26 1.11 0.00 0.41 4.01 -0.97 -5.10 117.16 112.36 3g5i n TYR 310 Ca 0.23 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 3g5i n TYR 310 Cb 1.12 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.97 3g5i n TYR 310 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40