#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 3.98 0.00 0.00 2.96 0.07 -4.66 118.68 121.03 3g5i s LEU 3 Ca 0.00 1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 54.69 3g5i s LEU 3 Cb 0.00 -3.49 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 3g5i s LEU 3 CO 0.00 -0.81 1.37 -2.16 -1.32 0.00 0.00 176.35 173.43 3g5i s PRO 4 N 3.48 4.30 0.07 0.98 0.04 -1.26 -0.49 135.00 142.12 3g5i s PRO 4 Ca 0.44 1.93 0.05 0.00 0.04 0.00 0.00 61.00 63.46 3g5i s PRO 4 Cb -0.13 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.84 3g5i s PRO 4 CO 0.13 -0.54 -0.13 0.96 0.04 0.00 0.00 177.00 177.46 3g5i s ILE 5 N 2.24 1.04 -0.19 0.56 -4.36 0.50 -1.32 121.20 119.68 3g5i s ILE 5 Ca 0.63 -1.30 -0.03 0.00 -0.26 0.00 0.00 60.65 59.68 3g5i s ILE 5 Cb -0.31 -1.04 -0.02 0.00 1.25 0.00 0.00 42.46 42.35 3g5i s ILE 5 CO 0.26 -0.27 -0.05 -0.76 0.24 0.00 0.00 174.94 174.37 3g5i s LEU 6 N -1.77 3.01 -0.25 0.37 1.43 0.58 0.08 118.68 122.13 3g5i s LEU 6 Ca -0.02 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 52.74 3g5i s LEU 6 Cb -0.10 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 3g5i s LEU 6 CO 0.02 0.07 -0.00 -0.22 0.23 0.00 0.00 176.35 176.45 3g5i s LEU 7 N 0.95 3.23 -0.17 1.79 2.96 -0.66 -0.68 118.68 126.10 3g5i s LEU 7 Ca -0.00 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3g5i s LEU 7 Cb -0.15 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.76 3g5i s LEU 7 CO 0.01 -0.08 -0.15 -0.62 -1.32 0.00 0.00 176.35 174.20 3g5i s ASP 8 N 1.48 3.65 0.21 3.68 2.15 0.02 -0.51 116.67 127.35 3g5i s ASP 8 Ca 0.04 -0.49 -0.23 0.00 0.43 0.00 0.00 52.55 52.31 3g5i s ASP 8 Cb -0.15 -1.57 0.05 0.00 -0.30 0.00 0.00 42.92 40.94 3g5i s ASP 8 CO -0.01 0.06 0.74 0.00 -0.17 0.00 0.00 175.17 175.78 3g5i n ASP 10 N -0.43 1.69 -4.73 0.00 5.75 -1.26 -1.02 116.55 116.54 3g5i n ASP 10 Ca -0.08 -3.05 -0.42 0.00 -0.01 0.00 0.00 54.79 51.23 3g5i n ASP 10 Cb 0.61 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.99 4.21 0.00 0.11 0.02 -1.26 -4.45 135.00 131.63 3g5i s PRO 11 Ca 0.39 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3g5i s PRO 11 Cb 0.21 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.62 3g5i s PRO 11 CO -0.08 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 3g5i n GLY 12 N 2.98 -1.36 0.33 0.52 0.00 0.61 -4.44 105.19 103.82 3g5i n GLY 12 Ca 0.11 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 3g5i n GLY 12 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3g5i h HIS 13 N 0.00 1.12 -0.01 1.61 2.07 -1.89 -1.70 115.15 116.36 3g5i h HIS 13 Ca 0.00 -0.04 -0.21 0.00 -2.85 0.00 0.00 60.37 57.28 3g5i h HIS 13 Cb 0.00 -0.35 -0.00 0.00 2.57 0.00 0.00 27.41 29.62 3g5i h HIS 13 CO 0.00 0.79 -0.89 0.38 -3.07 0.00 0.00 177.93 175.14 3g5i h ASP 14 N 1.12 0.40 -0.79 3.10 2.03 -1.96 -1.90 116.42 118.42 3g5i h ASP 14 Ca 0.28 -0.32 -0.01 0.00 -0.73 0.00 0.00 57.03 56.26 3g5i h ASP 14 Cb 0.06 -0.12 -0.04 0.00 -0.83 0.00 0.00 39.33 38.40 3g5i h ASP 14 CO -0.04 1.11 0.47 0.44 -1.03 0.00 0.00 179.24 180.19 3g5i h ASP 15 N 0.18 0.96 -0.53 4.15 5.19 -1.89 0.43 116.42 124.91 3g5i h ASP 15 Ca -0.06 -0.07 0.06 0.00 -0.62 0.00 0.00 57.03 56.34 3g5i h ASP 15 Cb 1.51 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 40.73 3g5i h ASP 15 CO 0.15 0.74 0.24 0.00 -3.12 0.00 0.00 179.24 177.25 3g5i h ALA 16 N 1.25 0.67 0.00 3.45 0.00 -1.03 -0.07 119.26 123.52 3g5i h ALA 16 Ca 0.28 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 3g5i h ALA 16 Cb -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3g5i h ALA 16 CO -0.05 -0.13 -0.51 0.82 0.00 0.00 0.00 179.25 179.38 3g5i h ILE 17 N 0.46 1.36 -0.43 0.00 2.04 -0.62 -1.32 117.51 118.99 3g5i h ILE 17 Ca 0.24 -1.77 -0.07 0.00 1.00 0.00 0.00 64.86 64.26 3g5i h ILE 17 Cb 0.20 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3g5i h ILE 17 CO -0.20 0.50 -0.03 0.00 0.00 0.00 0.00 178.15 178.43 3g5i h ALA 18 N 1.49 1.15 -0.07 1.87 0.00 0.11 -1.14 119.26 122.66 3g5i h ALA 18 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3g5i h ALA 18 Cb 0.91 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3g5i h ALA 18 CO 0.07 0.55 -0.05 0.82 0.00 0.00 0.00 179.25 180.63 3g5i h ILE 19 N 0.67 1.35 -0.55 0.00 2.04 -0.26 -0.77 117.51 119.99 3g5i h ILE 19 Ca 0.13 -1.15 0.11 0.00 1.00 0.00 0.00 64.86 64.95 3g5i h ILE 19 Cb 0.45 1.97 -0.10 0.00 -0.74 0.00 0.00 36.82 38.40 3g5i h ILE 19 CO 0.02 0.32 -0.13 0.58 0.00 0.00 0.00 178.15 178.93 3g5i h VAL 20 N -0.26 0.46 -0.43 1.67 2.07 -1.16 -0.41 116.25 118.19 3g5i h VAL 20 Ca 0.01 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3g5i h VAL 20 Cb 0.53 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3g5i h VAL 20 CO 0.01 0.00 0.14 0.25 0.02 0.00 0.00 177.57 178.00 3g5i h LEU 21 N 0.00 0.62 -0.31 2.57 5.85 -1.12 -2.56 115.31 120.36 3g5i h LEU 21 Ca 0.26 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3g5i h LEU 21 Cb 0.40 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3g5i h LEU 21 CO -0.56 0.65 0.20 0.00 -0.34 0.00 0.00 178.44 178.39 3g5i h ALA 22 N 0.99 0.39 0.00 1.25 0.00 -0.47 -2.70 119.26 118.72 3g5i h ALA 22 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3g5i h ALA 22 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3g5i h ALA 22 CO -0.01 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.39 3g5i n LEU 23 N -4.87 0.33 -0.78 0.00 4.32 -0.23 -1.97 117.00 113.82 3g5i n LEU 23 Ca -0.01 0.57 0.10 0.00 -0.02 0.00 0.00 56.01 56.65 3g5i n LEU 23 Cb 0.03 -0.52 0.29 0.00 -1.62 0.00 0.00 43.42 41.60 3g5i n LEU 23 CO 0.34 -0.35 0.73 0.00 -1.22 0.00 0.00 177.39 176.89 3g5i n ALA 24 N -1.63 2.47 -4.03 -1.18 0.00 -0.97 -4.84 120.51 110.33 3g5i n ALA 24 Ca 0.03 -0.71 -0.31 0.00 0.00 0.00 0.00 53.44 52.45 3g5i n ALA 24 Cb 0.23 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.39 4.69 0.06 0.00 0.01 -0.83 -4.90 113.70 111.34 3g5i s SER 25 Ca 0.33 -1.98 0.21 0.00 1.31 0.00 0.00 55.95 55.82 3g5i s SER 25 Cb 0.18 -1.61 0.86 0.00 0.21 0.00 0.00 66.02 65.66 3g5i s SER 25 CO 0.26 -0.33 1.65 -2.65 0.41 0.00 0.00 173.24 172.58 3g5i n PRO 26 N 4.30 0.06 0.30 12.44 -0.02 -1.26 -1.21 135.00 149.60 3g5i n PRO 26 Ca -0.00 0.21 0.20 0.00 -2.02 0.00 0.00 63.50 61.89 3g5i n PRO 26 Cb 0.42 -1.59 1.07 0.00 -0.02 0.00 0.00 33.50 33.38 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 -6.18 -0.52 3.07 -1.94 -3.43 114.58 105.59 3g5i h GLU 27 Ca 0.00 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.17 3g5i h GLU 27 Cb 0.38 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.04 3g5i h GLU 27 CO 0.00 0.00 -0.79 -0.51 -1.40 0.00 0.00 179.01 176.31 3g5i s LEU 28 N -5.76 2.61 -0.38 1.33 1.43 -0.35 -0.75 118.68 116.81 3g5i s LEU 28 Ca -0.04 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3g5i s LEU 28 Cb 0.11 -1.53 0.10 0.00 0.03 0.00 0.00 46.19 44.91 3g5i s LEU 28 CO 0.36 0.31 0.15 -0.62 0.23 0.00 0.00 176.35 176.77 3g5i s ASP 29 N -0.51 5.11 -0.44 2.29 2.15 0.35 -4.80 116.67 120.82 3g5i s ASP 29 Ca 0.07 -1.96 -0.29 0.00 0.43 0.00 0.00 52.55 50.80 3g5i s ASP 29 Cb -0.12 -1.77 0.02 0.00 -0.30 0.00 0.00 42.92 40.75 3g5i s ASP 29 CO 0.01 -0.47 1.31 -0.69 -0.17 0.00 0.00 175.17 175.16 3g5i s VAL 30 N 1.11 4.01 0.09 1.11 1.01 -1.26 -0.37 120.40 126.10 3g5i s VAL 30 Ca 0.07 1.03 -0.07 0.00 0.00 0.00 0.00 61.98 63.01 3g5i s VAL 30 Cb -0.22 -4.35 -0.26 0.00 0.00 0.00 0.00 36.38 31.56 3g5i s VAL 30 CO -0.05 -0.85 1.18 0.11 0.00 0.00 0.00 175.10 175.49 3g5i h LYS 31 N 10.16 0.40 -2.26 2.72 1.79 -0.74 -3.47 116.57 125.18 3g5i h LYS 31 Ca -0.26 -0.56 0.01 0.00 -2.18 0.00 0.00 60.65 57.66 3g5i h LYS 31 Cb 1.09 0.19 -0.17 0.00 -1.58 0.00 0.00 32.23 31.76 3g5i h LYS 31 CO 1.10 1.23 0.31 0.00 -1.08 0.00 0.00 179.45 181.01 3g5i s ALA 32 N -2.92 -1.76 -0.12 3.86 0.00 -1.25 -4.26 121.76 115.32 3g5i s ALA 32 Ca -0.06 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.01 3g5i s ALA 32 Cb 0.07 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.41 3g5i s ALA 32 CO 0.89 -0.53 -0.22 0.42 0.00 0.00 0.00 175.76 176.32 3g5i s ILE 33 N -2.25 1.97 0.27 0.00 1.01 -0.61 -1.65 121.20 119.94 3g5i s ILE 33 Ca -0.03 -0.94 0.12 0.00 0.00 0.00 0.00 60.65 59.79 3g5i s ILE 33 Cb -0.01 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 3g5i s ILE 33 CO -0.01 0.54 -0.19 0.42 0.00 0.00 0.00 174.94 175.69 3g5i s THR 34 N 0.63 2.41 -0.12 2.92 -4.23 0.34 -2.94 115.64 114.65 3g5i s THR 34 Ca -0.12 -2.39 -0.00 0.00 -1.18 0.00 0.00 61.69 58.00 3g5i s THR 34 Cb -0.17 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 3g5i s THR 34 CO 0.03 -0.41 -0.12 -0.94 -0.54 0.00 0.00 174.62 172.63 3g5i s SER 35 N -3.49 4.13 0.38 3.99 1.04 -0.96 -1.11 113.70 117.67 3g5i s SER 35 Ca 0.29 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.52 3g5i s SER 35 Cb -0.05 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.55 3g5i s SER 35 CO 0.14 0.20 0.52 -0.94 0.98 0.00 0.00 173.24 174.14 3g5i s SER 36 N 0.17 5.82 -0.11 7.02 1.04 -0.19 -1.61 113.70 125.84 3g5i s SER 36 Ca -0.07 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.11 3g5i s SER 36 Cb -0.15 -0.98 -0.01 0.00 0.10 0.00 0.00 66.02 64.98 3g5i s SER 36 CO 0.05 -0.59 -0.17 0.00 0.98 0.00 0.00 173.24 173.50 3g5i s ALA 37 N -2.27 2.45 0.00 5.32 0.00 -1.26 -4.40 121.76 121.60 3g5i s ALA 37 Ca 0.50 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3g5i s ALA 37 Cb -0.10 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.99 3g5i s ALA 37 CO 0.32 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.79 3g5i n GLY 38 N 3.41 -2.12 0.36 0.00 0.00 -1.26 -4.65 105.19 100.94 3g5i n GLY 38 Ca -0.18 0.68 0.18 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 0.63 -4.03 1.61 2.35 -1.90 -3.44 115.58 110.80 3g5i h ASN 39 Ca 0.00 0.11 -0.30 0.00 -0.55 0.00 0.00 56.30 55.56 3g5i h ASN 39 Cb 0.00 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.31 3g5i h ASN 39 CO 0.00 0.13 -0.20 0.00 -1.65 0.00 0.00 177.43 175.71 3g5i n GLN 40 N -4.79 0.61 -1.38 0.81 1.13 -1.26 -4.97 117.38 107.52 3g5i n GLN 40 Ca 0.26 -2.74 -0.34 0.00 -1.94 0.00 0.00 57.00 52.24 3g5i n GLN 40 Cb 0.75 2.55 0.10 0.00 0.11 0.00 0.00 30.24 33.75 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 -2.89 2.37 0.37 5.09 -4.23 -1.26 -4.63 115.64 110.45 3g5i s THR 41 Ca 0.29 0.17 0.21 0.00 -1.18 0.00 0.00 61.69 61.18 3g5i s THR 41 Cb -0.00 -2.69 0.21 0.00 1.34 0.00 0.00 72.50 71.35 3g5i s THR 41 CO 0.21 -0.11 1.95 1.55 -0.54 0.00 0.00 174.62 177.69 3g5i h PRO 42 N -0.44 0.00 -0.88 3.99 0.13 -1.88 -0.34 132.00 132.57 3g5i h PRO 42 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3g5i h PRO 42 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 3g5i h PRO 42 CO 0.49 0.22 0.56 0.93 -0.23 0.00 0.00 178.00 179.98 3g5i h GLU 43 N 0.00 1.17 0.01 0.86 3.07 -1.97 -2.43 114.58 115.30 3g5i h GLU 43 Ca -0.00 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 58.62 3g5i h GLU 43 Cb 0.49 -0.26 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3g5i h GLU 43 CO 0.03 0.79 -0.59 0.87 -1.40 0.00 0.00 179.01 178.71 3g5i h LYS 44 N 1.20 0.38 -0.63 2.33 1.57 -1.45 -2.13 116.57 117.84 3g5i h LYS 44 Ca 0.32 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3g5i h LYS 44 Cb -0.11 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3g5i h LYS 44 CO -0.07 1.10 0.33 1.79 -0.57 0.00 0.00 179.45 182.03 3g5i h THR 45 N -0.16 1.21 0.23 -0.16 1.35 -1.36 -0.03 112.91 113.98 3g5i h THR 45 Ca -0.08 -0.54 0.01 0.00 -0.55 0.00 0.00 66.41 65.25 3g5i h THR 45 Cb 1.32 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 3g5i h THR 45 CO 0.12 0.23 -0.28 0.25 -0.25 0.00 0.00 175.52 175.58 3g5i h LEU 46 N 0.85 -0.78 -0.80 3.87 5.85 -1.45 -1.67 115.31 121.18 3g5i h LEU 46 Ca 0.22 0.08 0.18 0.00 0.84 0.00 0.00 57.88 59.20 3g5i h LEU 46 Cb 0.07 0.28 -0.12 0.00 0.37 0.00 0.00 40.66 41.26 3g5i h LEU 46 CO -0.03 -0.40 0.22 -0.09 -0.34 0.00 0.00 178.44 177.80 3g5i h ARG 47 N -0.57 0.27 -0.28 1.25 2.43 -1.10 -1.75 114.38 114.63 3g5i h ARG 47 Ca 0.00 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 3g5i h ARG 47 Cb 0.54 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3g5i h ARG 47 CO -0.09 0.18 -0.32 -0.91 -1.51 0.00 0.00 179.97 177.32 3g5i h ASN 48 N 0.28 0.62 -0.55 -3.80 2.35 -0.34 0.16 115.58 114.30 3g5i h ASN 48 Ca 0.47 -0.25 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3g5i h ASN 48 Cb 0.84 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 3g5i h ASN 48 CO -0.55 0.90 0.35 0.58 -1.65 0.00 0.00 177.43 177.06 3g5i h VAL 49 N 0.52 1.11 -0.60 2.81 2.07 -0.57 -0.55 116.25 121.04 3g5i h VAL 49 Ca 0.06 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 3g5i h VAL 49 Cb 0.80 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3g5i h VAL 49 CO 0.07 0.13 -0.00 -0.07 0.02 0.00 0.00 177.57 177.71 3g5i h LEU 50 N 0.71 1.04 -0.16 2.57 3.38 -0.62 -1.94 115.31 120.29 3g5i h LEU 50 Ca 0.21 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3g5i h LEU 50 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3g5i h LEU 50 CO -0.07 1.09 0.07 0.03 0.09 0.00 0.00 178.44 179.65 3g5i h ARG 51 N 0.95 0.23 -0.40 1.13 3.08 -0.54 -1.18 114.38 117.66 3g5i h ARG 51 Ca 0.17 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.23 3g5i h ARG 51 Cb 0.56 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 3g5i h ARG 51 CO 0.03 0.30 0.12 0.52 -1.07 0.00 0.00 179.97 179.87 3g5i h MET 52 N 0.11 0.25 -0.06 0.04 2.86 -0.99 0.68 114.93 117.83 3g5i h MET 52 Ca 0.05 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 3g5i h MET 52 Cb 0.15 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3g5i h MET 52 CO -0.01 0.17 -0.44 -0.07 1.06 0.00 0.00 176.91 177.62 3g5i h LEU 53 N 0.26 0.14 -0.29 1.22 3.38 -1.34 -0.58 115.31 118.10 3g5i h LEU 53 Ca 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3g5i h LEU 53 Cb 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3g5i h LEU 53 CO -0.21 0.57 0.14 0.74 0.09 0.00 0.00 178.44 179.77 3g5i h THR 54 N 0.11 1.16 -0.53 0.22 2.02 -0.80 -1.52 112.91 113.57 3g5i h THR 54 Ca 0.01 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3g5i h THR 54 Cb 0.83 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3g5i h THR 54 CO 0.06 0.16 0.35 0.25 0.37 0.00 0.00 175.52 176.71 3g5i h LEU 55 N 0.34 0.61 -1.05 2.58 5.85 -0.26 -2.94 115.31 120.44 3g5i h LEU 55 Ca 0.10 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3g5i h LEU 55 Cb 0.13 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3g5i h LEU 55 CO -0.01 0.45 0.00 0.18 -0.34 0.00 0.00 178.44 178.72 3g5i n LEU 56 N -4.71 1.55 -3.55 2.25 4.77 -0.28 -4.92 117.00 112.10 3g5i n LEU 56 Ca 0.03 -0.73 -0.26 0.00 -0.03 0.00 0.00 56.01 55.02 3g5i n LEU 56 Cb 0.03 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3g5i n LEU 56 CO 0.35 0.36 0.09 0.59 -1.33 0.00 0.00 177.39 177.46 3g5i n ASN 57 N 0.30 -5.31 -2.89 -1.43 3.02 -0.90 -4.92 115.26 103.13 3g5i n ASN 57 Ca 0.13 -0.55 -0.25 0.00 -0.03 0.00 0.00 54.58 53.88 3g5i n ASN 57 Cb 0.27 -4.25 -0.03 0.00 -0.61 0.00 0.00 39.78 35.16 3g5i n ASN 57 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g5i n ARG 58 N -4.46 2.81 0.00 3.52 5.12 -0.62 -4.83 116.66 118.21 3g5i n ARG 58 Ca -0.01 -4.49 0.10 0.00 -1.93 0.00 0.00 57.85 51.52 3g5i n ARG 58 Cb 0.56 -2.11 0.52 0.00 -1.16 0.00 0.00 32.46 30.27 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 -0.20 0.35 0.31 0.55 -2.24 -1.25 -2.86 114.28 108.94 3g5i n THR 59 Ca 0.30 0.09 0.15 0.00 -2.27 0.00 0.00 64.05 62.32 3g5i n THR 59 Cb 0.50 -0.75 0.47 0.00 -2.10 0.00 0.00 70.33 68.45 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 -3.20 3.42 2.03 -1.94 -3.44 116.42 113.29 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 0.17 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.63 3g5i h ASP 60 CO 0.00 0.00 0.64 -0.63 -1.03 0.00 0.00 179.24 178.22 3g5i s ILE 61 N -3.42 4.72 0.28 4.15 1.01 -1.13 -5.01 121.20 121.79 3g5i s ILE 61 Ca 0.04 2.01 -0.29 0.00 0.00 0.00 0.00 60.65 62.41 3g5i s ILE 61 Cb 0.08 -4.29 -0.10 0.00 0.01 0.00 0.00 42.46 38.16 3g5i s ILE 61 CO 0.57 -0.05 1.35 -2.16 0.00 0.00 0.00 174.94 174.66 3g5i s PRO 62 N 2.37 4.33 -0.02 2.79 0.04 -1.26 -4.84 135.00 138.41 3g5i s PRO 62 Ca 0.48 2.21 0.05 0.00 0.04 0.00 0.00 61.00 63.78 3g5i s PRO 62 Cb -0.18 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 3g5i s PRO 62 CO 0.15 -0.28 -0.18 0.08 0.04 0.00 0.00 177.00 176.80 3g5i s VAL 63 N -0.48 1.47 0.01 -0.36 1.01 -1.26 -1.57 120.40 119.22 3g5i s VAL 63 Ca 0.54 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 3g5i s VAL 63 Cb -0.40 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3g5i s VAL 63 CO 0.46 0.42 -0.01 0.00 0.00 0.00 0.00 175.10 175.98 3g5i s ALA 64 N -0.35 0.04 0.16 5.51 0.00 -1.15 0.12 121.76 126.09 3g5i s ALA 64 Ca 0.05 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.42 3g5i s ALA 64 Cb -0.08 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.06 3g5i s ALA 64 CO -0.00 -0.12 0.71 0.20 0.00 0.00 0.00 175.76 176.55 3g5i s GLY 65 N -1.01 2.77 0.00 0.00 0.00 -1.26 -2.27 107.32 105.55 3g5i s GLY 65 Ca -0.11 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.83 3g5i s GLY 65 CO -0.01 0.66 0.00 0.61 0.00 0.00 0.00 173.10 174.36 3g5i n GLY 66 N 1.37 2.51 3.65 0.20 0.00 -0.64 -1.39 105.19 110.90 3g5i n GLY 66 Ca -0.06 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 0.62 1.27 4.61 0.00 -1.26 -4.86 120.51 117.88 3g5i n ALA 67 Ca 0.00 0.33 0.13 0.00 0.00 0.00 0.00 53.44 53.90 3g5i n ALA 67 Cb 0.00 -2.15 0.36 0.00 0.00 0.00 0.00 19.45 17.66 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 0.05 0.00 -3.68 0.00 0.24 -1.26 -4.30 118.33 109.38 3g5i n VAL 68 Ca 0.07 -0.18 -0.07 0.00 -2.04 0.00 0.00 64.34 62.12 3g5i n VAL 68 Cb 0.36 0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 33.26 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 -2.36 1.27 1.00 7.34 -2.85 -1.26 -4.80 119.74 118.07 3g5i s LYS 69 Ca 0.27 -0.63 -0.11 0.00 -1.00 0.00 0.00 55.97 54.50 3g5i s LYS 69 Cb 0.20 0.48 0.18 0.00 -2.06 0.00 0.00 37.83 36.63 3g5i s LYS 69 CO 0.47 -0.57 1.05 -2.30 0.10 0.00 0.00 175.35 174.10 3g5i n PRO 70 N -0.41 -1.06 -0.27 1.78 -0.02 -1.24 -4.91 135.00 128.87 3g5i n PRO 70 Ca -0.08 -0.26 0.06 0.00 -2.02 0.00 0.00 63.50 61.20 3g5i n PRO 70 Cb 0.61 -2.28 0.20 0.00 -0.02 0.00 0.00 33.50 32.01 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 -2.12 0.32 -1.99 2.45 3.38 -1.93 -3.32 115.31 112.11 3g5i h LEU 71 Ca -0.49 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3g5i h LEU 71 Cb 1.29 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3g5i h LEU 71 CO 0.43 0.12 -0.23 0.23 0.09 0.00 0.00 178.44 179.08 3g5i n MET 72 N -4.98 0.52 -4.16 1.13 2.81 -1.26 -5.08 117.12 106.09 3g5i n MET 72 Ca 0.15 -1.17 -0.10 0.00 -1.81 0.00 0.00 57.70 54.77 3g5i n MET 72 Cb 0.43 -0.72 -0.10 0.00 -0.71 0.00 0.00 33.22 32.12 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 -0.58 0.93 0.51 0.03 0.52 -1.25 -5.14 118.95 113.97 3g5i s ARG 73 Ca 0.05 -1.44 -0.19 0.00 -0.52 0.00 0.00 55.73 53.64 3g5i s ARG 73 Cb 0.05 0.17 -0.07 0.00 0.52 0.00 0.00 34.95 35.61 3g5i s ARG 73 CO 0.00 -0.23 1.04 -1.21 0.02 0.00 0.00 175.30 174.92 3g5i s GLU 74 N -4.02 3.69 0.00 3.54 0.41 -1.26 -3.63 118.70 117.43 3g5i s GLU 74 Ca 0.23 1.29 0.00 0.00 -0.41 0.00 0.00 54.97 56.08 3g5i s GLU 74 Cb 0.07 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 3g5i s GLU 74 CO 0.01 -0.51 0.00 -0.11 -0.49 0.00 0.00 175.26 174.16 3g5i n LEU 75 N -1.27 0.00 0.00 1.80 7.94 -1.26 -4.70 117.00 119.51 3g5i n LEU 75 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 3g5i n LEU 75 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 3g5i n LEU 75 CO 0.42 -0.22 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 3g5i n GLY 86 N 1.60 0.00 2.71 -3.96 0.00 -1.26 -5.09 105.19 99.20 3g5i n GLY 86 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 1.18 -4.74 0.99 4.77 -1.26 -0.28 117.00 117.66 3g5i n LEU 87 Ca 0.00 -3.49 -0.30 0.00 -0.03 0.00 0.00 56.01 52.18 3g5i n LEU 87 Cb 0.00 0.41 0.12 0.00 -2.33 0.00 0.00 43.42 41.62 3g5i n LEU 87 CO 0.00 1.44 0.68 -1.81 -1.33 0.00 0.00 177.39 176.37 3g5i s ASP 88 N -3.13 3.93 0.00 -1.43 1.11 -1.26 -4.53 116.67 111.35 3g5i s ASP 88 Ca 0.26 1.67 0.00 0.00 0.18 0.00 0.00 52.55 54.67 3g5i s ASP 88 Cb 0.42 -2.35 0.00 0.00 1.07 0.00 0.00 42.92 42.05 3g5i s ASP 88 CO 0.01 -2.38 0.00 0.61 1.18 0.00 0.00 175.17 174.59 3g5i n GLY 89 N -1.10 1.76 3.79 0.21 0.00 -1.26 -4.85 105.19 103.73 3g5i n GLY 89 Ca 0.08 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 3.48 -0.14 1.61 0.04 -1.26 -5.00 135.00 133.74 3g5i s PRO 90 Ca 0.00 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 3g5i s PRO 90 Cb 0.00 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 3g5i s PRO 90 CO 0.00 -0.70 1.53 0.00 0.04 0.00 0.00 177.00 177.87 3g5i s ALA 91 N -2.04 3.52 0.14 8.56 0.00 -1.26 -5.03 121.76 125.65 3g5i s ALA 91 Ca 0.68 0.64 0.05 0.00 0.00 0.00 0.00 51.96 53.33 3g5i s ALA 91 Cb -0.19 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 3g5i s ALA 91 CO 0.27 -1.52 0.10 -0.51 0.00 0.00 0.00 175.76 174.10 3g5i s LEU 92 N 4.26 3.72 0.53 0.00 1.43 -1.26 -5.08 118.68 122.29 3g5i s LEU 92 Ca 0.67 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.45 3g5i s LEU 92 Cb -0.27 -2.37 -0.07 0.00 0.03 0.00 0.00 46.19 43.52 3g5i s LEU 92 CO 0.25 0.10 1.06 -2.16 0.23 0.00 0.00 176.35 175.84 3g5i s PRO 93 N -2.85 3.58 0.52 1.29 0.04 -1.26 -5.03 135.00 131.29 3g5i s PRO 93 Ca 0.30 1.35 -0.21 0.00 0.04 0.00 0.00 61.00 62.47 3g5i s PRO 93 Cb -0.11 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 3g5i s PRO 93 CO 0.22 -0.62 1.22 -1.21 0.04 0.00 0.00 177.00 176.66 3g5i s GLU 94 N -3.50 3.40 0.27 4.56 0.41 -1.26 -4.66 118.70 117.92 3g5i s GLU 94 Ca 0.67 1.89 -0.30 0.00 -0.41 0.00 0.00 54.97 56.82 3g5i s GLU 94 Cb -0.17 -2.24 -0.11 0.00 -1.78 0.00 0.00 34.13 29.82 3g5i s GLU 94 CO 0.26 -0.87 1.62 -2.14 -0.49 0.00 0.00 175.26 173.64 3g5i s PRO 95 N -2.93 4.13 0.00 0.39 0.02 -1.26 -4.91 135.00 130.44 3g5i s PRO 95 Ca 0.69 2.58 0.20 0.00 0.02 0.00 0.00 61.00 64.49 3g5i s PRO 95 Cb -0.32 -3.04 0.21 0.00 0.02 0.00 0.00 34.50 31.38 3g5i s PRO 95 CO 0.37 -0.66 1.19 0.25 -0.33 0.00 0.00 177.00 177.82 3g5i n THR 96 N 2.65 0.13 -4.18 0.99 -2.24 -1.26 -4.99 114.28 105.37 3g5i n THR 96 Ca 0.10 -0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 3g5i n THR 96 Cb 0.37 1.31 -0.09 0.00 -2.10 0.00 0.00 70.33 69.82 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 -1.62 1.14 0.06 4.78 -0.12 -1.26 -5.17 117.98 115.79 3g5i s PHE 97 Ca 0.26 -1.33 0.05 0.00 -0.05 0.00 0.00 56.93 55.86 3g5i s PHE 97 Cb 0.18 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.06 3g5i s PHE 97 CO 0.26 -0.73 -0.09 0.00 -0.05 0.00 0.00 175.22 174.61 3g5i s ALA 98 N -4.01 2.97 0.89 1.99 0.00 -1.26 -5.05 121.76 117.30 3g5i s ALA 98 Ca 0.37 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 3g5i s ALA 98 Cb 0.05 -1.00 0.13 0.00 0.00 0.00 0.00 23.12 22.30 3g5i s ALA 98 CO 0.14 0.63 1.09 -1.25 0.00 0.00 0.00 175.76 176.37 3g5i s PRO 99 N -1.81 1.27 0.65 0.00 0.04 -1.26 -4.81 135.00 129.08 3g5i s PRO 99 Ca 0.19 0.98 -0.16 0.00 0.04 0.00 0.00 61.00 62.06 3g5i s PRO 99 Cb -0.11 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 3g5i s PRO 99 CO 0.11 -2.28 1.14 -0.65 0.04 0.00 0.00 177.00 175.35 3g5i s GLN 100 N -4.86 2.77 -1.44 4.56 -1.52 0.32 -4.90 119.66 114.59 3g5i s GLN 100 Ca 0.64 1.51 -0.11 0.00 -1.95 0.00 0.00 55.36 55.45 3g5i s GLN 100 Cb -0.19 -1.94 0.05 0.00 -0.22 0.00 0.00 33.01 30.71 3g5i s GLN 100 CO 0.57 -1.30 2.34 -1.71 -0.25 0.00 0.00 175.29 174.94 3g5i n ASN 101 N -2.26 5.76 -3.29 5.90 5.15 -1.26 -4.78 115.26 120.48 3g5i n ASN 101 Ca 0.11 -2.88 -0.05 0.00 -0.60 0.00 0.00 54.58 51.16 3g5i n ASN 101 Cb 0.51 -1.56 0.01 0.00 -0.53 0.00 0.00 39.78 38.22 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 -2.43 3.28 0.12 0.00 -4.23 -1.26 -4.29 115.64 106.83 3g5i s THR 103 Ca 0.18 -0.43 -0.20 0.00 -1.18 0.00 0.00 61.69 60.07 3g5i s THR 103 Cb -0.03 -3.26 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 3g5i s THR 103 CO 0.07 -0.21 1.73 0.00 -0.54 0.00 0.00 174.62 175.67 3g5i h ALA 104 N 0.06 0.17 -0.85 3.99 0.00 -1.45 -1.56 119.26 119.62 3g5i h ALA 104 Ca -0.44 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.58 3g5i h ALA 104 Cb 1.28 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 3g5i h ALA 104 CO 0.57 -0.42 0.52 0.28 0.00 0.00 0.00 179.25 180.20 3g5i h VAL 105 N 0.09 1.00 -0.50 0.00 2.07 -1.87 -0.03 116.25 117.00 3g5i h VAL 105 Ca 0.08 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3g5i h VAL 105 Cb 0.09 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 3g5i h VAL 105 CO -0.12 0.17 0.32 -0.33 0.02 0.00 0.00 177.57 177.62 3g5i h GLU 106 N 0.92 0.67 -0.25 1.57 5.08 -1.82 -0.29 114.58 120.46 3g5i h GLU 106 Ca 0.39 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.54 3g5i h GLU 106 Cb 0.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3g5i h GLU 106 CO -0.20 0.46 -0.49 1.25 -1.00 0.00 0.00 179.01 179.04 3g5i h LEU 107 N 0.68 0.72 0.02 1.33 5.85 -0.77 0.54 115.31 123.69 3g5i h LEU 107 Ca 0.18 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3g5i h LEU 107 Cb -0.05 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3g5i h LEU 107 CO -0.04 1.09 -0.01 0.24 -0.34 0.00 0.00 178.44 179.38 3g5i h MET 108 N 0.52 -0.03 -0.14 1.25 2.86 -0.82 -1.10 114.93 117.47 3g5i h MET 108 Ca 0.03 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3g5i h MET 108 Cb 1.03 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 3g5i h MET 108 CO 0.10 0.08 -0.01 0.00 1.06 0.00 0.00 176.91 178.14 3g5i h ALA 109 N 0.83 0.11 -0.45 6.32 0.00 -0.90 -1.28 119.26 123.91 3g5i h ALA 109 Ca -0.00 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3g5i h ALA 109 Cb 0.13 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3g5i h ALA 109 CO 0.01 -0.46 0.14 -0.22 0.00 0.00 0.00 179.25 178.71 3g5i h LYS 110 N 0.03 0.29 -0.57 0.00 3.64 -0.85 0.52 116.57 119.63 3g5i h LYS 110 Ca 0.07 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3g5i h LYS 110 Cb 0.08 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3g5i h LYS 110 CO -0.12 0.19 0.34 1.15 -2.27 0.00 0.00 179.45 178.74 3g5i h THR 111 N 0.29 1.06 -0.21 1.00 2.02 -0.75 -1.76 112.91 114.56 3g5i h THR 111 Ca 0.21 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3g5i h THR 111 Cb 0.23 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3g5i h THR 111 CO -0.24 0.12 0.04 -0.07 0.37 0.00 0.00 175.52 175.75 3g5i h LEU 112 N 0.68 0.33 -0.50 2.58 3.38 -0.68 -1.57 115.31 119.53 3g5i h LEU 112 Ca 0.23 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3g5i h LEU 112 Cb 0.03 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3g5i h LEU 112 CO -0.10 0.49 0.21 0.03 0.09 0.00 0.00 178.44 179.17 3g5i h ARG 113 N 0.16 0.41 -0.01 1.13 3.08 -0.61 -2.62 114.38 115.91 3g5i h ARG 113 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3g5i h ARG 113 Cb 0.30 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3g5i h ARG 113 CO 0.00 0.27 -0.17 -0.85 -1.07 0.00 0.00 179.97 178.16 3g5i n GLU 114 N -4.95 1.31 -2.44 0.04 0.28 -0.69 -4.88 120.64 109.32 3g5i n GLU 114 Ca 0.05 -0.85 -0.39 0.00 -0.16 0.00 0.00 57.16 55.81 3g5i n GLU 114 Cb 0.17 -1.48 -0.04 0.00 1.43 0.00 0.00 31.44 31.52 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 -2.27 6.90 0.16 -1.84 0.15 -0.60 -4.95 113.70 111.25 3g5i s SER 115 Ca 0.29 2.23 0.24 0.00 0.70 0.00 0.00 55.95 59.41 3g5i s SER 115 Cb 0.20 -2.61 0.28 0.00 -1.71 0.00 0.00 66.02 62.18 3g5i s SER 115 CO 0.44 -0.40 1.29 0.00 1.20 0.00 0.00 173.24 175.77 3g5i h ALA 116 N 3.09 0.60 -2.30 5.45 0.00 -1.90 -3.48 119.26 120.73 3g5i h ALA 116 Ca -0.48 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 3g5i h ALA 116 Cb 1.22 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 3g5i h ALA 116 CO 0.64 0.00 -0.67 -1.83 0.00 0.00 0.00 179.25 177.39 3g5i s GLU 117 N -3.21 0.91 0.55 0.00 -1.05 -1.26 -5.14 118.70 109.50 3g5i s GLU 117 Ca 0.05 -1.41 -0.21 0.00 -0.15 0.00 0.00 54.97 53.25 3g5i s GLU 117 Cb 0.12 -0.03 -0.05 0.00 -0.44 0.00 0.00 34.13 33.73 3g5i s GLU 117 CO 0.73 -0.14 1.20 -2.30 0.95 0.00 0.00 175.26 175.70 3g5i n PRO 118 N -0.09 1.39 -4.48 -4.83 -0.02 -1.26 -4.99 135.00 120.72 3g5i n PRO 118 Ca -0.09 0.52 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 3g5i n PRO 118 Cb 0.62 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.35 4.04 -0.14 -1.45 1.01 0.15 -4.67 120.40 117.98 3g5i s VAL 119 Ca 0.72 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.16 3g5i s VAL 119 Cb -0.43 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3g5i s VAL 119 CO 0.49 0.60 0.53 -0.89 0.00 0.00 0.00 175.10 175.83 3g5i s THR 120 N -0.82 5.14 -0.20 3.92 2.01 -0.43 -0.95 115.64 124.30 3g5i s THR 120 Ca 0.12 1.03 -0.13 0.00 0.31 0.00 0.00 61.69 63.02 3g5i s THR 120 Cb -0.11 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 3g5i s THR 120 CO 0.02 0.26 0.26 -0.63 -0.69 0.00 0.00 174.62 173.84 3g5i s ILE 121 N 1.05 5.30 -0.27 1.82 1.01 -0.63 -0.31 121.20 129.17 3g5i s ILE 121 Ca 0.27 0.44 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 3g5i s ILE 121 Cb -0.16 -3.60 0.04 0.00 0.01 0.00 0.00 42.46 38.75 3g5i s ILE 121 CO 0.11 0.34 -0.05 -0.69 0.00 0.00 0.00 174.94 174.65 3g5i s VAL 122 N 0.87 2.80 -0.23 2.92 1.01 0.15 0.23 120.40 128.15 3g5i s VAL 122 Ca 0.14 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 60.88 3g5i s VAL 122 Cb -0.13 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 33.77 3g5i s VAL 122 CO 0.04 0.05 -0.14 -0.94 0.00 0.00 0.00 175.10 174.11 3g5i s SER 123 N 1.26 3.93 -0.06 3.32 1.04 -0.15 -0.80 113.70 122.24 3g5i s SER 123 Ca -0.03 -1.11 0.11 0.00 0.48 0.00 0.00 55.95 55.40 3g5i s SER 123 Cb -0.18 -1.51 0.28 0.00 0.10 0.00 0.00 66.02 64.71 3g5i s SER 123 CO -0.03 -0.12 1.22 0.35 0.98 0.00 0.00 173.24 175.63 3g5i n THR 124 N 4.51 1.45 -3.25 2.02 -2.24 -0.32 -2.14 114.28 114.31 3g5i n THR 124 Ca -0.17 -1.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.20 3g5i n THR 124 Cb 0.45 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 -0.30 5.54 3.67 3.38 0.00 -1.26 -4.59 105.19 111.64 3g5i n GLY 125 Ca 0.12 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.07 0.44 -0.02 1.61 -0.02 -1.26 -4.88 135.00 130.79 3g5i n PRO 126 Ca 0.00 0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.74 3g5i n PRO 126 Cb 0.00 -2.38 0.22 0.00 -0.02 0.00 0.00 33.50 31.31 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 -2.60 1.11 -0.36 -0.52 1.13 -1.26 -4.57 117.38 110.32 3g5i n GLN 127 Ca 0.14 -0.18 -0.01 0.00 -1.94 0.00 0.00 57.00 55.01 3g5i n GLN 127 Cb 0.50 -1.14 0.04 0.00 0.11 0.00 0.00 30.24 29.74 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 0.31 0.02 -0.20 5.09 2.02 -1.88 0.39 112.91 118.66 3g5i h THR 128 Ca 0.00 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 3g5i h THR 128 Cb 0.07 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3g5i h THR 128 CO 0.00 0.00 -0.64 0.78 0.37 0.00 0.00 175.52 176.03 3g5i h ASN 129 N -0.02 0.83 -0.12 4.18 2.35 -1.96 -1.48 115.58 119.36 3g5i h ASN 129 Ca 0.34 -0.49 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 3g5i h ASN 129 Cb 0.59 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3g5i h ASN 129 CO -0.96 1.26 0.04 0.58 -1.65 0.00 0.00 177.43 176.70 3g5i h VAL 130 N 0.54 1.19 -0.69 2.81 2.07 -1.76 0.20 116.25 120.60 3g5i h VAL 130 Ca -0.01 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.01 3g5i h VAL 130 Cb 1.23 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 3g5i h VAL 130 CO 0.13 0.17 0.38 0.00 0.02 0.00 0.00 177.57 178.27 3g5i h ALA 131 N 0.84 0.94 -0.23 1.67 0.00 -0.83 0.19 119.26 121.84 3g5i h ALA 131 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3g5i h ALA 131 Cb 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3g5i h ALA 131 CO -0.00 0.03 0.07 -0.07 0.00 0.00 0.00 179.25 179.28 3g5i h LEU 132 N 0.68 0.07 -0.47 0.00 3.38 -1.09 -0.86 115.31 117.00 3g5i h LEU 132 Ca 0.32 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.38 3g5i h LEU 132 Cb 0.24 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3g5i h LEU 132 CO -0.21 0.07 0.15 0.25 0.09 0.00 0.00 178.44 178.79 3g5i h LEU 133 N 0.17 0.12 -0.22 1.67 5.85 -0.39 -0.85 115.31 121.67 3g5i h LEU 133 Ca 0.10 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3g5i h LEU 133 Cb 0.08 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3g5i h LEU 133 CO -0.12 0.10 0.04 -0.07 -0.34 0.00 0.00 178.44 178.06 3g5i h LEU 134 N 0.31 0.34 -0.55 2.25 3.38 -0.51 0.71 115.31 121.24 3g5i h LEU 134 Ca 0.23 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3g5i h LEU 134 Cb 0.25 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3g5i h LEU 134 CO -0.25 0.50 -0.53 0.78 0.09 0.00 0.00 178.44 179.03 3g5i h ASN 135 N 0.16 0.61 0.37 -0.43 2.35 -1.05 -3.23 115.58 114.35 3g5i h ASN 135 Ca 0.07 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3g5i h ASN 135 Cb 0.30 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3g5i h ASN 135 CO 0.00 1.02 -0.62 -1.54 -1.65 0.00 0.00 177.43 174.64 3g5i n SER 136 N -3.97 0.64 -3.14 5.81 3.41 -0.34 -4.40 113.62 111.63 3g5i n SER 136 Ca -0.03 -0.45 -0.23 0.00 -0.26 0.00 0.00 58.87 57.90 3g5i n SER 136 Cb 0.59 0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 64.93 3g5i n SER 136 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3g5i n HIS 137 N -1.48 1.88 0.29 7.33 8.25 0.23 -4.89 115.22 126.83 3g5i n HIS 137 Ca 0.05 -3.89 0.18 0.00 -0.26 0.00 0.00 57.72 53.81 3g5i n HIS 137 Cb 0.33 -0.45 0.84 0.00 1.12 0.00 0.00 29.99 31.83 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 3.33 0.00 0.00 -0.41 0.13 -1.76 -1.79 132.00 131.50 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 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3g5i h PRO 138 CO 0.65 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.60 3g5i n GLU 139 N -3.17 0.29 -0.01 0.86 0.00 -1.26 -3.06 120.64 114.28 3g5i n GLU 139 Ca -0.01 0.08 0.07 0.00 0.00 0.00 0.00 57.16 57.30 3g5i n GLU 139 Cb 0.23 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.24 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 -1.31 2.25 -0.09 -1.84 4.77 -0.67 -4.53 117.00 115.58 3g5i n LEU 140 Ca 0.10 -1.03 0.10 0.00 -0.03 0.00 0.00 56.01 55.15 3g5i n LEU 140 Cb 0.19 -0.01 0.47 0.00 -2.33 0.00 0.00 43.42 41.74 3g5i n LEU 140 CO 0.18 0.42 1.19 0.45 -1.33 0.00 0.00 177.39 178.29 3g5i h HIS 141 N 2.88 0.50 0.00 -1.77 3.86 -1.59 0.15 115.15 119.18 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 0.62 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3g5i h HIS 141 CO 0.01 0.25 0.00 -1.13 0.86 0.00 0.00 177.93 177.92 3g5i n SER 142 N -4.48 0.47 -1.03 2.45 3.41 -1.26 -1.66 113.62 111.52 3g5i n SER 142 Ca 0.09 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 3g5i n SER 142 Cb 0.31 -0.74 0.21 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.07 2.36 -3.70 4.33 4.76 0.54 -4.77 118.16 119.61 3g5i n LYS 143 Ca 0.01 -2.04 -0.38 0.00 -2.87 0.00 0.00 58.31 53.03 3g5i n LYS 143 Cb 0.12 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 31.71 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 -1.67 3.93 0.13 -0.18 1.01 -0.67 0.30 121.20 124.05 3g5i s ILE 144 Ca 0.35 -1.23 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 3g5i s ILE 144 Cb 0.22 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 3g5i s ILE 144 CO 0.31 -0.30 1.68 0.00 0.00 0.00 0.00 174.94 176.64 3g5i h ALA 145 N 8.27 0.49 -1.72 9.38 0.00 -1.31 -3.46 119.26 130.90 3g5i h ALA 145 Ca -0.23 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 54.79 3g5i h ALA 145 Cb 1.08 -0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.57 3g5i h ALA 145 CO 0.65 0.08 0.72 -0.98 0.00 0.00 0.00 179.25 179.72 3g5i s ARG 146 N -5.59 0.52 -0.20 0.00 1.70 -1.26 -4.48 118.95 109.65 3g5i s ARG 146 Ca -0.13 -0.23 0.01 0.00 -0.47 0.00 0.00 55.73 54.91 3g5i s ARG 146 Cb 0.10 0.21 0.03 0.00 -0.57 0.00 0.00 34.95 34.72 3g5i s ARG 146 CO 0.74 -0.23 -0.17 0.42 -1.08 0.00 0.00 175.30 174.98 3g5i s ILE 147 N -2.65 2.04 -0.25 4.99 1.01 -0.40 -1.61 121.20 124.34 3g5i s ILE 147 Ca 0.10 -1.07 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 3g5i s ILE 147 Cb 0.00 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 3g5i s ILE 147 CO -0.05 0.40 0.09 -0.69 0.00 0.00 0.00 174.94 174.70 3g5i s VAL 148 N 1.26 4.51 0.15 2.92 1.01 0.14 -0.50 120.40 129.89 3g5i s VAL 148 Ca 0.02 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 61.99 3g5i s VAL 148 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3g5i s VAL 148 CO -0.11 0.33 -0.18 0.27 0.00 0.00 0.00 175.10 175.40 3g5i s ILE 149 N 1.61 2.77 -0.34 2.22 -4.36 0.68 -0.97 121.20 122.81 3g5i s ILE 149 Ca 0.06 -1.67 -0.09 0.00 -0.26 0.00 0.00 60.65 58.69 3g5i s ILE 149 Cb -0.15 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.27 3g5i s ILE 149 CO 0.05 0.00 0.16 -0.32 0.24 0.00 0.00 174.94 175.07 3g5i s MET 150 N -2.41 2.98 0.00 0.37 -2.45 -0.91 -1.05 119.30 115.84 3g5i s MET 150 Ca 0.20 -0.96 0.00 0.00 -1.25 0.00 0.00 55.69 53.68 3g5i s MET 150 Cb -0.10 -3.60 0.00 0.00 1.25 0.00 0.00 34.83 32.39 3g5i s MET 150 CO 0.11 -0.58 0.00 0.41 1.05 0.00 0.00 175.02 176.01 3g5i n GLY 151 N 4.95 0.89 0.00 2.11 0.00 -0.89 -4.61 105.19 107.64 3g5i n GLY 151 Ca -0.13 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.12 -0.54 3.64 -0.02 0.00 -1.26 -3.59 105.19 103.29 3g5i n GLY 152 Ca 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.41 -1.94 0.13 4.61 0.00 -1.26 -1.00 121.76 120.90 3g5i s ALA 153 Ca 0.00 2.40 -0.12 0.00 0.00 0.00 0.00 51.96 54.24 3g5i s ALA 153 Cb 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 3g5i s ALA 153 CO 0.00 -0.49 1.46 1.98 0.00 0.00 0.00 175.76 178.71 3g5i h MET 154 N 7.17 0.90 0.00 0.00 4.05 -1.96 -3.40 114.93 121.68 3g5i h MET 154 Ca -0.27 -0.48 0.00 0.00 -0.28 0.00 0.00 59.70 58.67 3g5i h MET 154 Cb 1.20 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 3g5i h MET 154 CO 0.15 1.13 0.00 0.41 0.23 0.00 0.00 176.91 178.83 3g5i n GLY 155 N 0.16 1.47 3.76 1.39 0.00 -1.26 -4.87 105.19 105.83 3g5i n GLY 155 Ca -0.03 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 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 3.83 0.69 0.99 1.43 -1.26 -4.91 118.68 119.44 3g5i s LEU 156 Ca 0.00 2.53 -0.08 0.00 -1.03 0.00 0.00 54.13 55.55 3g5i s LEU 156 Cb 0.00 -4.37 0.04 0.00 0.03 0.00 0.00 46.19 41.89 3g5i s LEU 156 CO 0.00 -1.43 1.03 -0.83 0.23 0.00 0.00 176.35 175.35 3g5i s GLY 157 N -1.26 1.63 0.00 -3.19 0.00 0.18 -4.87 107.32 99.81 3g5i s GLY 157 Ca 0.72 -0.68 0.18 0.00 0.00 0.00 0.00 44.72 44.94 3g5i s GLY 157 CO 0.40 -0.30 1.09 1.16 0.00 0.00 0.00 173.10 175.44 3g5i n ASN 158 N -2.91 2.55 0.00 1.64 6.94 -1.10 -4.78 115.26 117.60 3g5i n ASN 158 Ca 0.07 -1.76 -0.02 0.00 -0.02 0.00 0.00 54.58 52.84 3g5i n ASN 158 Cb 0.59 -0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 37.98 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 1.02 0.00 -4.36 -2.53 -0.00 -0.58 -4.86 117.44 106.13 3g5i n TRP 159 Ca 0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.35 3g5i n TRP 159 Cb 0.45 -0.08 -0.09 0.00 -0.00 0.00 0.00 31.31 31.60 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 -2.06 2.25 0.37 5.87 -4.23 -1.03 -5.01 115.64 111.81 3g5i s THR 160 Ca -0.03 -1.87 0.15 0.00 -1.18 0.00 0.00 61.69 58.76 3g5i s THR 160 Cb 0.01 -2.95 0.36 0.00 1.34 0.00 0.00 72.50 71.26 3g5i s THR 160 CO 0.04 -0.04 1.76 -0.65 -0.54 0.00 0.00 174.62 175.19 3g5i h PRO 161 N 1.64 0.46 0.00 3.99 0.11 -1.89 -2.84 132.00 133.46 3g5i h PRO 161 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g5i h PRO 161 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3g5i h PRO 161 CO 0.73 0.30 -1.31 0.00 -0.21 0.00 0.00 178.00 177.51 3g5i n ALA 162 N -2.42 3.91 -2.58 -0.75 0.00 -1.26 -0.65 120.51 116.76 3g5i n ALA 162 Ca 0.26 -0.53 -0.22 0.00 0.00 0.00 0.00 53.44 52.94 3g5i n ALA 162 Cb 0.82 -0.71 -0.15 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.08 1.20 0.34 0.00 0.00 -1.07 -4.29 121.76 114.86 3g5i s ALA 163 Ca 0.02 -0.67 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 3g5i s ALA 163 Cb 0.14 -0.28 -0.09 0.00 0.00 0.00 0.00 23.12 22.89 3g5i s ALA 163 CO 0.83 0.28 0.78 -2.00 0.00 0.00 0.00 175.76 175.65 3g5i s GLU 164 N -0.52 4.08 0.13 0.00 -6.30 -1.26 -1.53 118.70 113.30 3g5i s GLU 164 Ca 0.05 0.80 -0.31 0.00 -2.50 0.00 0.00 54.97 53.00 3g5i s GLU 164 Cb -0.06 -2.42 -0.08 0.00 0.00 0.00 0.00 34.13 31.57 3g5i s GLU 164 CO -0.00 0.14 1.56 0.35 0.02 0.00 0.00 175.26 177.33 3g5i h PHE 165 N 2.29 -1.49 -0.91 5.30 3.57 -1.94 -1.08 116.94 122.67 3g5i h PHE 165 Ca -0.48 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.18 3g5i h PHE 165 Cb 1.18 0.69 -0.07 0.00 2.79 0.00 0.00 35.95 40.53 3g5i h PHE 165 CO 0.62 -0.50 0.56 -0.91 -2.23 0.00 0.00 178.31 175.85 3g5i h ASN 166 N -0.46 0.84 -0.09 0.41 2.35 -1.91 -0.57 115.58 116.16 3g5i h ASN 166 Ca 0.08 0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 3g5i h ASN 166 Cb 0.63 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.87 3g5i h ASN 166 CO -0.51 0.49 -0.52 0.40 -1.65 0.00 0.00 177.43 175.64 3g5i h ILE 167 N 0.95 1.37 -0.33 2.81 1.08 -1.83 -3.23 117.51 118.34 3g5i h ILE 167 Ca 0.43 -1.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.03 3g5i h ILE 167 Cb 0.33 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 3g5i h ILE 167 CO -0.23 0.56 0.20 0.22 -0.69 0.00 0.00 178.15 178.22 3g5i h TYR 168 N 0.09 0.42 -0.42 1.37 3.20 -0.34 -1.10 116.97 120.18 3g5i h TYR 168 Ca -0.04 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3g5i h TYR 168 Cb 1.18 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 3g5i h TYR 168 CO 0.12 0.28 0.12 0.28 -1.64 0.00 0.00 178.16 177.31 3g5i h VAL 169 N 0.45 1.18 -1.47 1.81 2.07 -1.15 -3.37 116.25 115.77 3g5i h VAL 169 Ca 0.12 -0.63 -0.36 0.00 0.82 0.00 0.00 66.70 66.65 3g5i h VAL 169 Cb -0.03 0.73 -0.26 0.00 -1.52 0.00 0.00 31.29 30.21 3g5i h VAL 169 CO -0.02 0.23 -0.73 -0.67 0.02 0.00 0.00 177.57 176.40 3g5i n ASP 170 N -4.33 -1.95 -0.06 0.57 -0.08 -0.81 -4.72 116.55 105.17 3g5i n ASP 170 Ca 0.03 -2.75 -0.01 0.00 -1.51 0.00 0.00 54.79 50.55 3g5i n ASP 170 Cb 0.18 0.69 0.25 0.00 2.34 0.00 0.00 41.12 44.58 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 5.00 0.67 -0.09 -0.67 0.11 -1.39 -2.39 132.00 133.23 3g5i h PRO 171 Ca 0.11 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3g5i h PRO 171 Cb 1.00 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3g5i h PRO 171 CO 0.23 0.64 -0.01 0.93 -0.21 0.00 0.00 178.00 179.58 3g5i h GLU 172 N 0.64 0.17 -0.62 1.05 3.07 -1.91 -0.99 114.58 116.00 3g5i h GLU 172 Ca 0.14 -0.06 0.08 0.00 -0.50 0.00 0.00 59.36 59.03 3g5i h GLU 172 Cb 0.31 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.14 3g5i h GLU 172 CO 0.00 0.46 0.27 0.00 -1.40 0.00 0.00 179.01 178.34 3g5i h ALA 173 N 0.71 0.81 -0.56 3.43 0.00 -1.87 -0.62 119.26 121.16 3g5i h ALA 173 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3g5i h ALA 173 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3g5i h ALA 173 CO 0.01 -0.13 0.37 0.00 0.00 0.00 0.00 179.25 179.49 3g5i h ALA 174 N 1.39 0.71 -0.55 0.00 0.00 -1.28 -1.31 119.26 118.22 3g5i h ALA 174 Ca 0.30 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3g5i h ALA 174 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3g5i h ALA 174 CO -0.27 0.13 0.07 1.49 0.00 0.00 0.00 179.25 180.68 3g5i h GLU 175 N 0.74 0.89 -0.18 0.00 4.57 -0.85 -1.54 114.58 118.21 3g5i h GLU 175 Ca 0.21 -0.22 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3g5i h GLU 175 Cb -0.07 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.36 3g5i h GLU 175 CO -0.05 0.84 -0.09 0.82 -1.18 0.00 0.00 179.01 179.35 3g5i h ILE 176 N 0.84 0.72 -0.22 2.32 2.04 -0.86 -0.40 117.51 121.95 3g5i h ILE 176 Ca 0.17 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.08 3g5i h ILE 176 Cb 0.40 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 3g5i h ILE 176 CO 0.01 0.00 -0.08 0.58 0.00 0.00 0.00 178.15 178.66 3g5i h VAL 177 N -0.06 0.72 0.00 1.67 2.07 -0.81 -1.66 116.25 118.17 3g5i h VAL 177 Ca 0.10 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 3g5i h VAL 177 Cb 0.21 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3g5i h VAL 177 CO -0.23 0.00 -0.43 -0.26 0.02 0.00 0.00 177.57 176.68 3g5i h PHE 178 N -0.04 0.00 -0.07 1.57 0.04 -1.14 -2.72 116.94 114.57 3g5i h PHE 178 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3g5i h PHE 178 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 3g5i h PHE 178 CO -0.25 0.43 0.00 1.04 -0.60 0.00 0.00 178.31 178.92 3g5i n GLN 179 N -3.86 1.82 0.19 1.51 6.02 -0.17 -4.53 117.38 118.36 3g5i n GLN 179 Ca -0.01 -1.21 0.04 0.00 -0.01 0.00 0.00 57.00 55.81 3g5i n GLN 179 Cb 0.48 -1.46 0.38 0.00 1.02 0.00 0.00 30.24 30.66 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 2.79 0.00 0.00 1.08 4.64 -0.97 -3.47 113.55 117.62 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 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3g5i h SER 180 CO 0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 3g5i n GLY 181 N -0.33 0.70 3.76 -0.77 0.00 -1.26 -5.07 105.19 102.21 3g5i n GLY 181 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.31 4.84 0.25 -0.61 1.01 -1.26 -5.02 121.20 118.10 3g5i s ILE 182 Ca 0.00 1.39 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 3g5i s ILE 182 Cb 0.00 -4.00 -0.13 0.00 0.01 0.00 0.00 42.46 38.34 3g5i s ILE 182 CO 0.00 0.40 1.52 -2.65 0.00 0.00 0.00 174.94 174.21 3g5i n PRO 183 N 2.76 2.36 -4.96 2.79 -0.02 -1.26 -4.82 135.00 131.85 3g5i n PRO 183 Ca -0.05 0.84 -0.32 0.00 -2.02 0.00 0.00 63.50 61.95 3g5i n PRO 183 Cb 0.51 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 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 0.11 2.89 -0.08 -1.45 1.01 -1.22 -1.27 120.40 120.39 3g5i s VAL 184 Ca 0.68 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.91 3g5i s VAL 184 Cb -0.58 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3g5i s VAL 184 CO 0.47 0.59 -0.23 -0.69 0.00 0.00 0.00 175.10 175.24 3g5i s VAL 185 N -0.71 2.22 -0.19 2.92 1.01 0.34 -0.41 120.40 125.57 3g5i s VAL 185 Ca 0.11 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3g5i s VAL 185 Cb -0.10 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.47 3g5i s VAL 185 CO 0.00 0.56 -0.16 -0.32 0.00 0.00 0.00 175.10 175.19 3g5i s MET 186 N 0.04 2.60 -0.91 2.72 1.75 0.74 -0.23 119.30 126.02 3g5i s MET 186 Ca -0.09 -0.89 -0.10 0.00 -1.25 0.00 0.00 55.69 53.35 3g5i s MET 186 Cb -0.15 -2.54 0.23 0.00 2.84 0.00 0.00 34.83 35.21 3g5i s MET 186 CO 0.06 -0.31 0.85 0.00 -0.65 0.00 0.00 175.02 174.96 3g5i s ALA 187 N 1.30 4.26 0.54 4.11 0.00 -0.21 -1.66 121.76 130.10 3g5i s ALA 187 Ca 0.01 -3.53 -0.00 0.00 0.00 0.00 0.00 51.96 48.44 3g5i s ALA 187 Cb -0.15 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.64 3g5i s ALA 187 CO -0.10 -2.23 0.47 0.41 0.00 0.00 0.00 175.76 174.31 3g5i n GLY 188 N 3.39 0.74 0.32 0.00 0.00 -1.24 -2.10 105.19 106.31 3g5i n GLY 188 Ca 0.17 -2.00 0.17 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.75 0.99 3.38 -1.33 -0.32 115.31 117.28 3g5i h LEU 189 Ca -0.16 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3g5i h LEU 189 Cb 0.58 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3g5i h LEU 189 CO 0.17 0.00 0.44 0.44 0.09 0.00 0.00 178.44 179.57 3g5i h ASP 190 N 0.00 0.66 0.07 -0.43 3.32 -1.86 -1.34 116.42 116.83 3g5i h ASP 190 Ca 0.05 0.03 -0.36 0.00 0.02 0.00 0.00 57.03 56.76 3g5i h ASP 190 Cb 0.32 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3g5i h ASP 190 CO -0.00 0.42 -2.09 0.55 -1.72 0.00 0.00 179.24 176.40 3g5i n VAL 191 N -4.73 1.65 0.26 -1.35 3.14 -0.87 -4.19 118.33 112.24 3g5i n VAL 191 Ca 0.10 -0.54 0.09 0.00 -2.96 0.00 0.00 64.34 61.04 3g5i n VAL 191 Cb 0.19 -1.69 0.67 0.00 -1.06 0.00 0.00 33.84 31.95 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 -0.15 0.88 0.00 1.55 1.35 -1.05 -0.70 112.91 114.80 3g5i h THR 192 Ca -0.48 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3g5i h THR 192 Cb 1.88 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3g5i h THR 192 CO -0.04 0.07 0.00 0.45 -0.25 0.00 0.00 175.52 175.75 3g5i h HIS 193 N 0.00 0.00 0.00 4.73 -0.00 -1.44 -2.16 115.15 116.28 3g5i h HIS 193 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.32 3g5i h HIS 193 Cb 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 3g5i h HIS 193 CO 0.00 0.00 -0.62 0.87 -0.00 0.00 0.00 177.93 178.18 3g5i h LYS 194 N 0.00 0.00 -2.56 2.45 1.57 -1.30 -3.40 116.57 113.32 3g5i h LYS 194 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 3g5i h LYS 194 Cb 0.75 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.97 3g5i h LYS 194 CO 0.00 0.14 2.23 0.00 -0.57 0.00 0.00 179.45 181.25 3g5i n ALA 195 N -2.19 6.90 -2.11 3.86 0.00 -0.81 -4.77 120.51 121.38 3g5i n ALA 195 Ca 0.00 -3.65 -0.35 0.00 0.00 0.00 0.00 53.44 49.45 3g5i n ALA 195 Cb 0.62 -2.78 -0.06 0.00 0.00 0.00 0.00 19.45 17.24 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 -0.37 4.15 -0.26 0.00 -0.21 -1.26 -1.39 119.66 120.31 3g5i s GLN 196 Ca 0.59 0.79 -0.06 0.00 0.02 0.00 0.00 55.36 56.71 3g5i s GLN 196 Cb 0.22 -2.69 0.00 0.00 1.00 0.00 0.00 33.01 31.55 3g5i s GLN 196 CO -0.10 0.29 0.03 0.42 -2.12 0.00 0.00 175.29 173.81 3g5i s ILE 197 N -1.72 3.74 0.54 1.08 -1.09 0.49 -4.89 121.20 119.35 3g5i s ILE 197 Ca 0.48 -0.60 -0.04 0.00 -2.23 0.00 0.00 60.65 58.26 3g5i s ILE 197 Cb -0.14 -2.84 -0.00 0.00 -1.58 0.00 0.00 42.46 37.90 3g5i s ILE 197 CO 0.19 0.22 0.83 -1.00 -1.23 0.00 0.00 174.94 173.96 3g5i s HIS 198 N 1.49 3.30 0.30 3.97 3.76 -1.26 -1.85 115.29 125.00 3g5i s HIS 198 Ca 0.04 0.59 0.05 0.00 -0.15 0.00 0.00 55.06 55.58 3g5i s HIS 198 Cb -0.16 -2.58 0.69 0.00 1.11 0.00 0.00 32.58 31.64 3g5i s HIS 198 CO 0.00 -0.64 1.80 -0.39 -0.85 0.00 0.00 174.74 174.67 3g5i h VAL 199 N 0.01 0.78 -0.56 -0.90 -1.51 -1.98 0.30 116.25 112.39 3g5i h VAL 199 Ca -0.46 -0.29 -0.04 0.00 -1.23 0.00 0.00 66.70 64.69 3g5i h VAL 199 Cb 1.25 -0.12 -0.03 0.00 -2.13 0.00 0.00 31.29 30.26 3g5i h VAL 199 CO 0.60 0.15 0.20 -0.33 -1.23 0.00 0.00 177.57 176.96 3g5i h GLU 200 N 0.83 0.82 -0.58 5.19 3.07 -1.99 -1.54 114.58 120.38 3g5i h GLU 200 Ca 0.55 -0.14 -0.09 0.00 -0.50 0.00 0.00 59.36 59.18 3g5i h GLU 200 Cb 0.76 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 3g5i h GLU 200 CO -0.33 0.70 0.01 -0.44 -1.40 0.00 0.00 179.01 177.55 3g5i h ASP 201 N 0.81 1.00 -0.29 1.42 3.32 -1.32 -1.30 116.42 120.06 3g5i h ASP 201 Ca 0.19 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 3g5i h ASP 201 Cb 0.20 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3g5i h ASP 201 CO -0.01 1.06 -0.14 0.74 -1.72 0.00 0.00 179.24 179.17 3g5i h THR 202 N 0.92 1.26 -0.47 0.35 2.02 -0.85 -0.40 112.91 115.73 3g5i h THR 202 Ca 0.17 -1.18 -0.12 0.00 0.77 0.00 0.00 66.41 66.05 3g5i h THR 202 Cb 0.54 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3g5i h THR 202 CO 0.03 0.40 -0.16 -0.33 0.37 0.00 0.00 175.52 175.83 3g5i h GLU 203 N 0.65 0.94 0.13 6.66 4.39 -1.15 -0.99 114.58 125.22 3g5i h GLU 203 Ca 0.11 -0.38 0.02 0.00 0.34 0.00 0.00 59.36 59.45 3g5i h GLU 203 Cb 0.61 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 3g5i h GLU 203 CO 0.04 1.04 -0.41 -0.09 -1.16 0.00 0.00 179.01 178.43 3g5i h ARG 204 N 0.79 -0.63 -0.60 2.33 2.43 -0.71 -0.31 114.38 117.68 3g5i h ARG 204 Ca 0.12 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.44 3g5i h ARG 204 Cb 0.72 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 30.32 3g5i h ARG 204 CO 0.06 -0.42 0.10 0.74 -1.51 0.00 0.00 179.97 178.93 3g5i h PHE 205 N -0.66 0.14 -0.14 2.20 0.04 -0.98 -1.40 116.94 116.14 3g5i h PHE 205 Ca 0.02 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 3g5i h PHE 205 Cb 0.68 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 3g5i h PHE 205 CO -0.36 -0.06 -0.18 -0.09 -0.60 0.00 0.00 178.31 177.02 3g5i h ARG 206 N 0.22 0.24 0.00 1.51 2.43 -0.86 -1.75 114.38 116.16 3g5i h ARG 206 Ca 0.32 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3g5i h ARG 206 Cb 0.48 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3g5i h ARG 206 CO -0.43 0.42 0.00 0.00 -1.51 0.00 0.00 179.97 178.45 3g5i n ALA 207 N -2.49 2.03 0.13 2.80 0.00 -0.15 -3.40 120.51 119.42 3g5i n ALA 207 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.38 3g5i n ALA 207 Cb 0.31 -1.36 0.38 0.00 0.00 0.00 0.00 19.45 18.78 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 1.19 -0.83 0.00 2.04 -1.13 -3.47 117.51 115.31 3g5i h ILE 208 Ca 0.00 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3g5i h ILE 208 Cb 0.39 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3g5i h ILE 208 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.02 3g5i n GLY 209 N -0.81 0.89 3.27 5.37 0.00 -1.22 -5.05 105.19 107.64 3g5i n GLY 209 Ca -0.01 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.96 1.55 0.53 1.61 2.20 -1.26 -5.02 114.94 111.58 3g5i s ASN 210 Ca 0.00 -1.14 0.19 0.00 -0.94 0.00 0.00 52.86 50.97 3g5i s ASN 210 Cb 0.00 0.05 1.32 0.00 -2.00 0.00 0.00 41.25 40.62 3g5i s ASN 210 CO 0.00 -0.49 2.10 -0.65 -2.94 0.00 0.00 177.10 175.12 3g5i h PRO 211 N 2.66 0.00 0.06 3.55 0.11 -1.99 -1.40 132.00 134.98 3g5i h PRO 211 Ca -0.37 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.63 3g5i h PRO 211 Cb 1.20 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 3g5i h PRO 211 CO 0.64 0.00 -0.45 0.28 -0.21 0.00 0.00 178.00 178.26 3g5i h VAL 212 N 0.00 1.59 -0.14 3.15 2.07 -1.95 -2.14 116.25 118.82 3g5i h VAL 212 Ca 0.08 -2.30 -0.05 0.00 0.82 0.00 0.00 66.70 65.25 3g5i h VAL 212 Cb 0.33 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 3g5i h VAL 212 CO -0.00 0.63 -0.15 0.77 0.02 0.00 0.00 177.57 178.84 3g5i h SER 213 N -0.53 0.21 -0.40 0.57 4.64 -1.80 0.70 113.55 116.94 3g5i h SER 213 Ca -0.07 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3g5i h SER 213 Cb 1.29 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3g5i h SER 213 CO 0.09 0.39 0.24 0.74 -0.87 0.00 0.00 176.83 177.41 3g5i h THR 214 N 0.21 1.14 0.17 2.95 2.02 -1.28 -1.17 112.91 116.95 3g5i h THR 214 Ca 0.04 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3g5i h THR 214 Cb 0.40 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3g5i h THR 214 CO 0.02 0.14 -0.08 0.40 0.37 0.00 0.00 175.52 176.37 3g5i h ILE 215 N 0.53 0.90 -0.82 3.11 1.08 -0.53 -1.61 117.51 120.18 3g5i h ILE 215 Ca 0.14 -0.32 0.13 0.00 -0.39 0.00 0.00 64.86 64.42 3g5i h ILE 215 Cb 0.01 1.10 -0.09 0.00 -3.07 0.00 0.00 36.82 34.78 3g5i h ILE 215 CO -0.03 0.08 0.42 0.58 -0.69 0.00 0.00 178.15 178.52 3g5i h VAL 216 N -0.39 0.78 -0.29 1.67 2.07 -0.89 -1.39 116.25 117.82 3g5i h VAL 216 Ca -0.02 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3g5i h VAL 216 Cb 0.30 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3g5i h VAL 216 CO 0.04 0.12 0.09 0.00 0.02 0.00 0.00 177.57 177.84 3g5i h ALA 217 N 1.52 0.38 0.00 1.67 0.00 -1.00 -2.92 119.26 118.91 3g5i h ALA 217 Ca 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3g5i h ALA 217 Cb 0.55 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3g5i h ALA 217 CO -0.33 0.02 -0.04 0.93 0.00 0.00 0.00 179.25 179.83 3g5i h GLU 218 N 0.31 0.00 0.31 0.00 5.08 -0.61 0.64 114.58 120.31 3g5i h GLU 218 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3g5i h GLU 218 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3g5i h GLU 218 CO -0.00 0.04 -0.15 -0.07 -1.00 0.00 0.00 179.01 177.83 3g5i h LEU 219 N 0.00 -0.35 -2.43 1.33 3.38 -1.17 -3.30 115.31 112.78 3g5i h LEU 219 Ca -0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3g5i h LEU 219 Cb 0.07 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3g5i h LEU 219 CO 0.00 -0.15 0.18 -0.07 0.09 0.00 0.00 178.44 178.49 3g5i h LEU 220 N -0.61 0.00 -0.61 1.67 3.38 -1.31 -0.99 115.31 116.84 3g5i h LEU 220 Ca -0.04 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3g5i h LEU 220 Cb 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3g5i h LEU 220 CO 0.07 0.00 0.29 0.44 0.09 0.00 0.00 178.44 179.33 3g5i h ASP 221 N 0.00 0.37 -3.37 -0.43 5.19 -0.95 -3.48 116.42 113.76 3g5i h ASP 221 Ca 0.02 0.05 -0.63 0.00 -0.62 0.00 0.00 57.03 55.86 3g5i h ASP 221 Cb 0.38 -0.01 -0.19 0.00 0.18 0.00 0.00 39.33 39.68 3g5i h ASP 221 CO -0.00 0.23 -0.61 0.12 -3.12 0.00 0.00 179.24 175.86 3g5i s PHE 222 N -6.10 3.14 0.00 4.55 5.36 -0.38 -5.11 117.98 119.44 3g5i s PHE 222 Ca -0.13 -0.16 0.00 0.00 -0.96 0.00 0.00 56.93 55.68 3g5i s PHE 222 Cb 0.16 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 3g5i s PHE 222 CO 0.75 -0.02 0.00 0.39 -1.46 0.00 0.00 175.22 174.88 3g5i n GLU 230 N 3.83 0.00 0.23 10.12 1.02 -1.26 -5.06 120.64 129.52 3g5i n GLU 230 Ca -0.17 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.10 3g5i n GLU 230 Cb 0.52 -0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.24 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 0.00 0.00 3.49 2.10 -2.08 -3.16 116.57 116.92 3g5i h LYS 231 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 3g5i h LYS 231 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3g5i h LYS 231 CO 0.00 0.00 -0.26 -1.49 -2.00 0.00 0.00 179.45 175.70 3g5i h TRP 232 N 0.00 0.00 -4.92 0.07 6.55 -2.05 -3.47 115.95 112.12 3g5i h TRP 232 Ca 0.00 0.00 -0.31 0.00 0.95 0.00 0.00 58.89 59.53 3g5i h TRP 232 Cb 0.88 0.00 0.12 0.00 -0.86 0.00 0.00 29.16 29.29 3g5i h TRP 232 CO 0.00 0.26 -0.56 0.41 -1.05 0.00 0.00 178.44 177.49 3g5i n GLY 233 N -0.04 -0.25 3.77 1.49 0.00 -1.20 -5.00 105.19 103.96 3g5i n GLY 233 Ca -0.01 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.26 3.19 0.12 1.61 0.08 -1.26 -4.97 117.98 113.49 3g5i s PHE 234 Ca 0.39 1.60 -0.10 0.00 0.12 0.00 0.00 56.93 58.94 3g5i s PHE 234 Cb -0.17 -3.30 -0.11 0.00 -0.57 0.00 0.00 43.02 38.87 3g5i s PHE 234 CO 0.59 -1.01 1.33 0.28 -0.10 0.00 0.00 175.22 176.30 3g5i h VAL 235 N 2.39 1.30 -2.20 -0.44 2.07 -1.96 -3.47 116.25 113.94 3g5i h VAL 235 Ca -0.48 -2.03 -0.03 0.00 0.82 0.00 0.00 66.70 64.98 3g5i h VAL 235 Cb 1.23 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3g5i h VAL 235 CO 0.63 0.63 -0.03 0.61 0.02 0.00 0.00 177.57 179.44 3g5i n GLY 236 N 0.69 3.70 3.71 2.17 0.00 -1.26 -4.80 105.19 109.40 3g5i n GLY 236 Ca -0.07 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.98 3.31 0.38 4.61 0.00 -0.77 -4.63 121.76 122.68 3g5i s ALA 237 Ca 0.03 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.94 3g5i s ALA 237 Cb 0.00 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.90 3g5i s ALA 237 CO 0.02 -0.22 1.46 -0.35 0.00 0.00 0.00 175.76 176.67 3g5i n PRO 238 N 4.02 2.58 -3.85 0.00 -0.04 -1.26 -0.38 135.00 136.07 3g5i n PRO 238 Ca 0.02 0.91 -0.35 0.00 -0.04 0.00 0.00 63.50 64.04 3g5i n PRO 238 Cb 0.51 -2.62 -0.13 0.00 -0.04 0.00 0.00 33.50 31.22 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 -1.94 5.00 -0.03 1.53 2.96 -0.49 -4.89 118.68 120.83 3g5i s LEU 239 Ca 0.54 -2.00 -0.01 0.00 -0.22 0.00 0.00 54.13 52.44 3g5i s LEU 239 Cb -0.49 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 3g5i s LEU 239 CO 0.63 -0.47 0.06 0.45 -1.32 0.00 0.00 176.35 175.70 3g5i h HIS 240 N 7.93 -0.02 -0.79 5.38 3.86 -1.87 -3.39 115.15 126.24 3g5i h HIS 240 Ca -0.11 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 3g5i h HIS 240 Cb 1.04 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.48 3g5i h HIS 240 CO 0.53 -0.01 0.33 -0.44 0.86 0.00 0.00 177.93 179.20 3g5i h ASP 241 N -0.33 1.08 0.00 2.45 3.32 -1.93 -2.36 116.42 118.65 3g5i h ASP 241 Ca -0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3g5i h ASP 241 Cb 0.02 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3g5i h ASP 241 CO 0.00 0.95 0.09 -2.65 -1.72 0.00 0.00 179.24 175.91 3g5i n PRO 242 N -4.28 0.11 0.02 3.56 -0.02 -1.26 -1.85 135.00 131.28 3g5i n PRO 242 Ca 0.07 0.60 0.01 0.00 -2.02 0.00 0.00 63.50 62.17 3g5i n PRO 242 Cb 0.18 -1.96 0.34 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.47 1.02 -0.23 0.00 1.35 -1.57 -0.82 112.91 113.13 3g5i h THR 244 Ca 0.11 -0.06 -0.08 0.00 -0.55 0.00 0.00 66.41 65.83 3g5i h THR 244 Cb 0.26 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3g5i h THR 244 CO 0.00 0.03 -0.18 0.40 -0.25 0.00 0.00 175.52 175.53 3g5i h ILE 245 N 0.17 1.32 -0.99 6.82 1.08 -1.64 -2.81 117.51 121.46 3g5i h ILE 245 Ca 0.05 -1.31 0.14 0.00 -0.39 0.00 0.00 64.86 63.35 3g5i h ILE 245 Cb -0.01 1.67 -0.09 0.00 -3.07 0.00 0.00 36.82 35.33 3g5i h ILE 245 CO -0.02 0.40 0.62 0.00 -0.69 0.00 0.00 178.15 178.46 3g5i h ALA 246 N 0.68 1.61 -0.03 1.87 0.00 -0.75 -1.73 119.26 120.90 3g5i h ALA 246 Ca 0.04 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3g5i h ALA 246 Cb 0.71 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3g5i h ALA 246 CO 0.05 0.11 -0.50 2.35 0.00 0.00 0.00 179.25 181.26 3g5i h TRP 247 N 0.89 0.10 -0.23 0.00 7.01 -0.99 0.35 115.95 123.08 3g5i h TRP 247 Ca 0.51 -0.03 -0.16 0.00 2.11 0.00 0.00 58.89 61.32 3g5i h TRP 247 Cb 0.64 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 3g5i h TRP 247 CO -0.00 0.57 -0.52 -0.07 -2.79 0.00 0.00 178.44 175.62 3g5i h LEU 248 N 0.07 0.72 0.12 0.65 3.38 -1.12 -2.82 115.31 116.31 3g5i h LEU 248 Ca 0.00 -0.38 -0.17 0.00 0.09 0.00 0.00 57.88 57.43 3g5i h LEU 248 Cb 0.90 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.47 3g5i h LEU 248 CO 0.07 1.11 -0.73 -0.07 0.09 0.00 0.00 178.44 178.91 3g5i h LEU 249 N 0.51 0.43 -6.07 1.67 3.38 -1.00 -3.42 115.31 110.81 3g5i h LEU 249 Ca 0.02 -0.95 -0.55 0.00 0.09 0.00 0.00 57.88 56.49 3g5i h LEU 249 Cb 1.08 -0.14 -0.38 0.00 0.09 0.00 0.00 40.66 41.31 3g5i h LEU 249 CO 0.10 1.35 -1.04 0.29 0.09 0.00 0.00 178.44 179.23 3g5i n LYS 250 N -4.17 0.55 0.22 1.13 4.76 0.12 -4.97 118.16 115.79 3g5i n LYS 250 Ca -0.13 -3.15 0.15 0.00 -2.87 0.00 0.00 58.31 52.31 3g5i n LYS 250 Cb 0.78 -1.36 0.80 0.00 -1.84 0.00 0.00 35.03 33.41 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 -1.65 -0.90 132.00 136.06 3g5i h PRO 251 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3g5i h PRO 251 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3g5i h PRO 251 CO 0.42 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.24 3g5i h GLU 252 N 0.00 0.00 0.00 0.86 9.09 -1.93 -0.64 114.58 121.96 3g5i h GLU 252 Ca 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.45 3g5i h GLU 252 Cb 0.30 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3g5i h GLU 252 CO -0.00 0.00 -0.11 -0.07 0.05 0.00 0.00 179.01 178.88 3g5i h LEU 253 N 0.00 0.00 -9.58 3.06 3.38 -1.53 -3.46 115.31 107.18 3g5i h LEU 253 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3g5i h LEU 253 Cb 0.20 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.85 3g5i h LEU 253 CO 0.00 0.11 -0.63 -0.36 0.09 0.00 0.00 178.44 177.65 3g5i s PHE 254 N -3.90 3.05 -0.12 1.13 0.08 -0.25 -0.71 117.98 117.25 3g5i s PHE 254 Ca -0.01 -0.02 -0.02 0.00 0.12 0.00 0.00 56.93 57.00 3g5i s PHE 254 Cb 0.11 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 3g5i s PHE 254 CO 0.57 0.50 -0.04 0.99 -0.10 0.00 0.00 175.22 177.14 3g5i s THR 255 N -1.50 3.88 0.07 0.64 2.01 -0.50 -4.97 115.64 115.27 3g5i s THR 255 Ca 0.28 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 3g5i s THR 255 Cb -0.11 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 3g5i s THR 255 CO 0.20 0.54 0.07 -0.94 -0.69 0.00 0.00 174.62 173.80 3g5i s SER 256 N -0.14 0.32 0.06 3.53 1.04 -1.26 -0.59 113.70 116.66 3g5i s SER 256 Ca 0.03 -0.86 0.06 0.00 0.48 0.00 0.00 55.95 55.66 3g5i s SER 256 Cb -0.13 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 3g5i s SER 256 CO 0.03 -0.66 -0.17 0.68 0.98 0.00 0.00 173.24 174.09 3g5i s VAL 257 N -3.90 1.39 -0.45 5.02 -7.23 -0.22 -4.92 120.40 110.08 3g5i s VAL 257 Ca 0.07 -1.20 -0.19 0.00 -1.81 0.00 0.00 61.98 58.85 3g5i s VAL 257 Cb 0.07 -1.25 0.04 0.00 0.56 0.00 0.00 36.38 35.79 3g5i s VAL 257 CO -0.10 0.02 0.54 -1.61 -0.31 0.00 0.00 175.10 173.64 3g5i s GLU 258 N -1.37 3.14 0.13 4.82 0.41 -1.26 -0.28 118.70 124.28 3g5i s GLU 258 Ca 0.04 -0.75 -0.02 0.00 -0.41 0.00 0.00 54.97 53.83 3g5i s GLU 258 Cb -0.09 -4.01 -0.04 0.00 -1.78 0.00 0.00 34.13 28.21 3g5i s GLU 258 CO 0.02 -1.01 0.07 1.03 -0.49 0.00 0.00 175.26 174.88 3g5i s ARG 259 N 2.42 0.93 0.09 1.61 1.81 -0.54 -4.90 118.95 120.37 3g5i s ARG 259 Ca 0.15 -1.40 -0.27 0.00 -1.72 0.00 0.00 55.73 52.49 3g5i s ARG 259 Cb -0.17 0.25 -0.06 0.00 -0.45 0.00 0.00 34.95 34.52 3g5i s ARG 259 CO 0.14 -0.27 0.83 -0.46 -0.68 0.00 0.00 175.30 174.86 3g5i s TRP 260 N -4.04 3.79 -0.11 -0.53 -0.00 -1.26 -2.28 118.94 114.52 3g5i s TRP 260 Ca 0.23 1.61 0.00 0.00 -0.00 0.00 0.00 56.10 57.94 3g5i s TRP 260 Cb 0.07 -2.88 0.02 0.00 -0.00 0.00 0.00 33.47 30.68 3g5i s TRP 260 CO 0.01 0.30 -0.10 0.08 -0.00 0.00 0.00 176.95 177.24 3g5i s VAL 261 N -0.26 1.18 0.07 5.86 1.01 -1.26 -0.80 120.40 126.20 3g5i s VAL 261 Ca 0.41 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3g5i s VAL 261 Cb -0.22 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3g5i s VAL 261 CO 0.26 0.39 -0.14 -0.83 0.00 0.00 0.00 175.10 174.78 3g5i s GLY 262 N 1.43 1.69 -0.19 4.51 0.00 -0.00 -4.88 107.32 109.88 3g5i s GLY 262 Ca 0.01 -1.21 -0.05 0.00 0.00 0.00 0.00 44.72 43.47 3g5i s GLY 262 CO -0.06 -1.14 -0.00 0.14 0.00 0.00 0.00 173.10 172.03 3g5i s VAL 263 N -1.07 4.01 -0.02 1.40 1.01 -1.26 -0.55 120.40 123.92 3g5i s VAL 263 Ca 0.18 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 3g5i s VAL 263 Cb -0.11 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3g5i s VAL 263 CO 0.09 0.44 1.24 -0.70 0.00 0.00 0.00 175.10 176.18 3g5i s GLU 264 N 0.83 4.35 0.00 2.72 2.56 -0.15 -4.84 118.70 124.17 3g5i s GLU 264 Ca 0.01 1.76 0.00 0.00 0.00 0.00 0.00 54.97 56.73 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 0.02 -0.43 0.41 0.25 -0.56 0.00 0.00 175.26 174.94 3g5i n THR 265 N 4.48 0.00 0.00 -1.70 -2.24 -1.26 -0.50 114.28 113.06 3g5i n THR 265 Ca 0.11 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3g5i n THR 265 Cb 0.46 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.07 5.06 -1.47 -0.78 6.02 -1.26 -4.95 117.38 119.94 3g5i n GLN 266 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 3g5i n GLN 266 Cb 0.03 -0.55 0.09 0.00 1.02 0.00 0.00 30.24 30.82 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 -1.08 2.28 0.31 1.08 0.00 -1.26 -4.91 107.32 103.74 3g5i s GLY 267 Ca 0.00 0.80 0.03 0.00 0.00 0.00 0.00 44.72 45.55 3g5i s GLY 267 CO 0.00 1.20 1.81 1.70 0.00 0.00 0.00 173.10 177.81 3g5i h LYS 268 N -0.30 0.57 0.00 2.90 3.64 -2.01 -3.35 116.57 118.02 3g5i h LYS 268 Ca -0.47 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 3g5i h LYS 268 Cb 1.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3g5i h LYS 268 CO 0.50 0.64 0.00 0.66 -2.27 0.00 0.00 179.45 178.98 3g5i n TYR 269 N -4.23 0.00 -1.33 1.91 4.01 -1.26 -4.81 117.16 111.45 3g5i n TYR 269 Ca 0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 3g5i n TYR 269 Cb 0.29 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.28 0.98 -1.69 -0.72 -2.24 -1.26 -4.63 114.28 104.45 3g5i n THR 270 Ca 0.00 -1.16 -0.44 0.00 -2.27 0.00 0.00 64.05 60.17 3g5i n THR 270 Cb 0.03 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 3g5i n THR 270 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g5i n GLN 271 N -0.73 2.34 -0.32 -0.78 6.02 -1.26 -2.29 117.38 120.36 3g5i n GLN 271 Ca 0.08 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 3g5i n GLN 271 Cb 0.62 -2.61 0.00 0.00 1.02 0.00 0.00 30.24 29.27 3g5i n GLN 271 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g5i n GLY 272 N 3.19 1.04 3.73 1.08 0.00 0.35 -4.73 105.19 109.85 3g5i n GLY 272 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.49 4.42 -0.45 1.61 0.00 -0.97 -4.27 119.30 119.14 3g5i s MET 273 Ca 0.00 1.94 -0.24 0.00 0.00 0.00 0.00 55.69 57.39 3g5i s MET 273 Cb 0.00 -3.25 0.03 0.00 0.00 0.00 0.00 34.83 31.61 3g5i s MET 273 CO 0.00 -0.23 0.84 0.95 0.00 0.00 0.00 175.02 176.58 3g5i s THR 274 N 0.40 4.59 -0.45 10.11 -4.23 -1.26 -0.98 115.64 123.81 3g5i s THR 274 Ca 0.57 0.55 -0.23 0.00 -1.18 0.00 0.00 61.69 61.41 3g5i s THR 274 Cb -0.34 -4.36 0.03 0.00 1.34 0.00 0.00 72.50 69.17 3g5i s THR 274 CO 0.35 -0.76 0.76 -0.69 -0.54 0.00 0.00 174.62 173.74 3g5i s VAL 275 N 3.46 4.68 -0.25 2.29 1.01 0.28 -4.57 120.40 127.29 3g5i s VAL 275 Ca 0.33 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 3g5i s VAL 275 Cb -0.11 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 3g5i s VAL 275 CO 0.24 -0.71 0.12 -0.69 0.00 0.00 0.00 175.10 174.06 3g5i s VAL 276 N 3.21 4.84 -1.37 2.92 1.01 -1.26 -0.82 120.40 128.92 3g5i s VAL 276 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 3g5i s VAL 276 Cb -0.13 -3.27 0.10 0.00 0.00 0.00 0.00 36.38 33.09 3g5i s VAL 276 CO 0.22 0.32 2.08 -0.67 0.00 0.00 0.00 175.10 177.04 3g5i n ASP 277 N 4.79 4.82 0.04 3.32 2.03 0.02 -4.76 116.55 126.81 3g5i n ASP 277 Ca -0.15 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.17 3g5i n ASP 277 Cb 0.52 -1.55 0.31 0.00 -0.72 0.00 0.00 41.12 39.67 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 5.77 0.44 -0.47 -0.67 3.20 -1.94 -3.05 116.97 120.25 3g5i h TYR 278 Ca 0.50 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.31 3g5i h TYR 278 Cb 0.61 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3g5i h TYR 278 CO 1.37 0.51 0.00 0.66 -1.64 0.00 0.00 178.16 179.06 3g5i n TYR 279 N -4.24 1.50 -3.53 -3.82 4.01 -1.26 -4.98 117.16 104.83 3g5i n TYR 279 Ca 0.00 -0.74 -0.20 0.00 -0.16 0.00 0.00 57.90 56.80 3g5i n TYR 279 Cb 0.29 -0.37 0.06 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.34 -2.10 0.50 -0.72 4.01 -1.15 -4.94 117.16 113.09 3g5i n TYR 280 Ca 0.24 0.82 0.11 0.00 -0.16 0.00 0.00 57.90 58.91 3g5i n TYR 280 Cb 1.00 -4.38 -0.04 0.00 -0.31 0.00 0.00 39.34 35.61 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 -3.99 0.56 -5.02 7.72 4.77 -1.26 -4.94 117.00 114.84 3g5i n LEU 281 Ca -0.22 -0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 55.51 3g5i n LEU 281 Cb 0.65 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.71 3g5i n LEU 281 CO 0.64 0.05 0.23 0.42 -1.33 0.00 0.00 177.39 177.41 3g5i s THR 282 N -3.24 2.67 -0.63 -5.08 -4.23 -1.26 -5.00 115.64 98.87 3g5i s THR 282 Ca 0.02 -0.99 0.24 0.00 -1.18 0.00 0.00 61.69 59.77 3g5i s THR 282 Cb 0.14 -2.68 0.24 0.00 1.34 0.00 0.00 72.50 71.55 3g5i s THR 282 CO 0.83 0.00 1.71 0.61 -0.54 0.00 0.00 174.62 177.24 3g5i n GLY 283 N -2.01 -1.37 3.72 3.99 0.00 -1.26 -4.96 105.19 103.29 3g5i n GLY 283 Ca 0.11 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.12 6.83 0.16 1.61 0.01 -1.26 -4.96 114.94 113.21 3g5i s ASN 284 Ca 0.07 2.36 -0.31 0.00 -0.71 0.00 0.00 52.86 54.27 3g5i s ASN 284 Cb 0.11 -2.59 -0.11 0.00 0.41 0.00 0.00 41.25 39.06 3g5i s ASN 284 CO 0.44 -0.63 1.78 -0.75 -1.51 0.00 0.00 177.10 176.43 3g5i s LYS 285 N 0.75 4.13 0.24 -0.60 2.47 -1.26 -4.68 119.74 120.79 3g5i s LYS 285 Ca 0.63 2.60 -0.30 0.00 -1.56 0.00 0.00 55.97 57.33 3g5i s LYS 285 Cb -0.37 -3.35 -0.15 0.00 -1.46 0.00 0.00 37.83 32.50 3g5i s LYS 285 CO 0.33 -0.80 1.06 -2.30 0.16 0.00 0.00 175.35 173.80 3g5i n PRO 286 N 4.89 1.23 0.00 4.03 -0.02 -1.26 -4.58 135.00 139.30 3g5i n PRO 286 Ca 0.17 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3g5i n PRO 286 Cb 0.37 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.62 1.27 -3.68 2.55 6.94 -0.97 -4.84 115.26 118.15 3g5i n ASN 287 Ca 0.12 -1.51 -0.15 0.00 -0.02 0.00 0.00 54.58 53.03 3g5i n ASN 287 Cb 0.29 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.63 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 -0.51 -1.17 -0.32 -2.53 0.00 -1.02 -3.38 121.76 112.84 3g5i s ALA 288 Ca 0.00 0.88 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 3g5i s ALA 288 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 3g5i s ALA 288 CO 0.00 -0.28 0.25 0.99 0.00 0.00 0.00 175.76 176.71 3g5i s THR 289 N -0.87 5.27 -0.23 0.00 2.01 0.45 -1.47 115.64 120.80 3g5i s THR 289 Ca -0.09 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 3g5i s THR 289 Cb -0.03 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.82 3g5i s THR 289 CO 0.05 0.08 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.32 3g5i s VAL 290 N 1.79 3.15 0.13 3.82 1.01 0.61 -0.19 120.40 130.73 3g5i s VAL 290 Ca 0.08 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3g5i s VAL 290 Cb -0.17 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.64 3g5i s VAL 290 CO 0.11 0.32 1.09 -0.04 0.00 0.00 0.00 175.10 176.58 3g5i s MET 291 N 1.41 4.58 0.00 2.72 -1.94 -0.67 -1.06 119.30 124.35 3g5i s MET 291 Ca 0.04 1.66 0.00 0.00 -1.71 0.00 0.00 55.69 55.67 3g5i s MET 291 Cb -0.15 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.37 3g5i s MET 291 CO -0.04 0.02 0.00 1.33 -0.01 0.00 0.00 175.02 176.32 3g5i n VAL 292 N 2.87 0.00 -3.72 -6.03 0.24 0.24 -4.14 118.33 107.80 3g5i n VAL 292 Ca 0.04 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.34 62.15 3g5i n VAL 292 Cb 0.47 0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.08 -0.18 -0.06 -1.34 -1.08 -1.11 -4.45 116.67 107.37 3g5i s ASP 293 Ca 0.00 -0.45 -0.12 0.00 -0.52 0.00 0.00 52.55 51.45 3g5i s ASP 293 Cb 0.00 0.49 0.02 0.00 -1.46 0.00 0.00 42.92 41.97 3g5i s ASP 293 CO 0.00 -0.90 0.30 0.54 0.52 0.00 0.00 175.17 175.62 3g5i s VAL 294 N -3.85 0.04 -0.84 1.11 0.11 -1.26 -1.40 120.40 114.30 3g5i s VAL 294 Ca 0.06 -0.30 -0.25 0.00 -2.93 0.00 0.00 61.98 58.57 3g5i s VAL 294 Cb 0.01 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.36 3g5i s VAL 294 CO -0.08 -0.16 1.53 -0.62 -3.33 0.00 0.00 175.10 172.44 3g5i s ASP 295 N -0.71 5.98 0.13 3.54 -1.08 0.11 -4.91 116.67 119.72 3g5i s ASP 295 Ca -0.08 -0.70 -0.19 0.00 -0.52 0.00 0.00 52.55 51.06 3g5i s ASP 295 Cb -0.04 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.81 3g5i s ASP 295 CO 0.02 -1.95 1.78 -0.09 0.52 0.00 0.00 175.17 175.45 3g5i h ARG 296 N 10.93 0.32 -0.52 4.34 2.43 -1.89 -0.17 114.38 129.81 3g5i h ARG 296 Ca -0.05 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3g5i h ARG 296 Cb 1.05 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 3g5i h ARG 296 CO 1.31 0.21 0.28 0.37 -1.51 0.00 0.00 179.97 180.64 3g5i h GLN 297 N 0.32 0.53 -0.78 0.20 5.75 -1.94 0.14 115.11 119.32 3g5i h GLN 297 Ca 0.09 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.57 3g5i h GLN 297 Cb -0.03 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 3g5i h GLN 297 CO -0.02 0.35 0.52 0.78 -2.65 0.00 0.00 178.83 177.81 3g5i h GLY 298 N 0.55 1.10 0.94 2.39 0.00 -1.73 0.28 103.07 106.60 3g5i h GLY 298 Ca 0.22 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3g5i h GLY 298 CO -0.14 0.39 0.07 -2.75 0.00 0.00 0.00 176.54 174.12 3g5i h PHE 299 N 1.04 0.14 -0.86 5.60 3.57 0.02 -1.31 116.94 125.14 3g5i h PHE 299 Ca 0.29 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3g5i h PHE 299 Cb -0.10 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3g5i h PHE 299 CO -0.00 0.08 0.50 0.28 -2.23 0.00 0.00 178.31 176.94 3g5i h VAL 300 N 0.16 1.24 -0.56 1.41 2.07 -0.13 -2.58 116.25 117.87 3g5i h VAL 300 Ca 0.06 -0.57 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 3g5i h VAL 300 Cb 0.01 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 3g5i h VAL 300 CO -0.04 0.27 -0.03 0.44 0.02 0.00 0.00 177.57 178.23 3g5i h ASP 301 N 1.20 0.97 -0.03 0.57 3.32 -0.27 -1.93 116.42 120.25 3g5i h ASP 301 Ca 0.31 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 57.10 3g5i h ASP 301 Cb -0.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 3g5i h ASP 301 CO -0.05 1.04 -0.12 0.25 -1.72 0.00 0.00 179.24 178.63 3g5i h LEU 302 N 0.90 -0.37 -0.25 1.55 5.85 -1.08 -0.61 115.31 121.30 3g5i h LEU 302 Ca 0.16 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.98 3g5i h LEU 302 Cb 0.57 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3g5i h LEU 302 CO 0.03 -0.17 0.01 0.25 -0.34 0.00 0.00 178.44 178.22 3g5i h LEU 303 N -0.20 -0.08 -0.47 2.25 6.46 -1.33 0.25 115.31 122.20 3g5i h LEU 303 Ca 0.05 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.83 3g5i h LEU 303 Cb 0.27 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 3g5i h LEU 303 CO -0.14 -0.01 0.13 0.00 -0.62 0.00 0.00 178.44 177.80 3g5i h ALA 304 N 1.21 0.61 -0.28 1.25 0.00 -1.28 -0.56 119.26 120.22 3g5i h ALA 304 Ca 0.12 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3g5i h ALA 304 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3g5i h ALA 304 CO -0.19 0.28 0.15 0.22 0.00 0.00 0.00 179.25 179.71 3g5i h ASP 305 N 0.62 0.23 0.68 0.00 3.58 -0.94 -2.92 116.42 117.66 3g5i h ASP 305 Ca 0.15 0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.48 3g5i h ASP 305 Cb 0.30 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 3g5i h ASP 305 CO -0.00 0.17 -0.58 0.03 -2.88 0.00 0.00 179.24 175.98 3g5i h ARG 306 N 0.31 0.00 -0.05 0.28 2.47 -0.82 -2.79 114.38 113.77 3g5i h ARG 306 Ca 0.11 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.85 3g5i h ARG 306 Cb 0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3g5i h ARG 306 CO -0.07 0.58 0.06 -0.07 0.56 0.00 0.00 179.97 181.04 3g5i h LEU 307 N 0.00 0.00 -2.16 3.04 3.38 -0.90 -1.64 115.31 117.03 3g5i h LEU 307 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3g5i h LEU 307 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3g5i h LEU 307 CO 0.08 0.00 -0.02 0.11 0.09 0.00 0.00 178.44 178.69 3g5i h LYS 308 N 0.00 0.00 -0.86 1.13 1.57 -1.46 -2.59 116.57 114.36 3g5i h LYS 308 Ca 0.02 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.02 3g5i h LYS 308 Cb 0.15 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 3g5i h LYS 308 CO -0.00 0.02 0.59 0.35 -0.57 0.00 0.00 179.45 179.84 3g5i h PHE 309 N 0.00 0.36 -0.41 -1.35 3.57 -1.48 -0.91 116.94 116.72 3g5i h PHE 309 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3g5i h PHE 309 Cb 0.27 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3g5i h PHE 309 CO 0.00 0.10 0.00 0.66 -2.23 0.00 0.00 178.31 176.84 3g5i n TYR 310 N -4.44 1.01 0.00 0.41 4.01 -0.97 -5.11 117.16 112.06 3g5i n TYR 310 Ca 0.18 -0.39 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 3g5i n TYR 310 Cb 0.75 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 3g5i n TYR 310 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40