#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5i n SER 1 N 0.00 3.46 -4.50 1.61 2.88 -1.26 -4.94 113.62 110.88 3g5i n SER 1 Ca 0.00 -2.91 -0.34 0.00 -1.33 0.00 0.00 58.87 54.29 3g5i n SER 1 Cb 0.00 -0.69 0.11 0.00 -0.75 0.00 0.00 64.21 62.88 3g5i n SER 1 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g5i n ALA 2 N -0.41 -1.66 -2.59 -1.46 0.00 -1.26 -4.97 120.51 108.16 3g5i n ALA 2 Ca 0.34 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 3g5i n ALA 2 Cb 1.16 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 3g5i n ALA 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3g5i s LEU 3 N -1.97 4.01 -0.03 0.00 2.96 -0.06 -4.68 118.68 118.92 3g5i s LEU 3 Ca 0.63 1.26 -0.30 0.00 -0.22 0.00 0.00 54.13 55.50 3g5i s LEU 3 Cb -0.27 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 3g5i s LEU 3 CO 0.61 -0.82 1.23 -2.16 -1.32 0.00 0.00 176.35 173.89 3g5i s PRO 4 N 3.54 4.36 0.04 0.98 0.04 -1.26 -0.71 135.00 141.99 3g5i s PRO 4 Ca 0.47 1.73 0.04 0.00 0.04 0.00 0.00 61.00 63.28 3g5i s PRO 4 Cb -0.15 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 3g5i s PRO 4 CO 0.13 -0.43 -0.12 0.96 0.04 0.00 0.00 177.00 177.59 3g5i s ILE 5 N 2.03 0.91 -0.20 0.56 -4.36 0.72 -1.28 121.20 119.58 3g5i s ILE 5 Ca 0.57 -0.94 -0.06 0.00 -0.26 0.00 0.00 60.65 59.97 3g5i s ILE 5 Cb -0.26 -0.85 -0.03 0.00 1.25 0.00 0.00 42.46 42.57 3g5i s ILE 5 CO 0.24 -0.08 0.03 -0.76 0.24 0.00 0.00 174.94 174.61 3g5i s LEU 6 N -1.14 3.42 -0.19 0.37 1.43 0.57 -0.39 118.68 122.74 3g5i s LEU 6 Ca -0.01 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3g5i s LEU 6 Cb -0.08 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3g5i s LEU 6 CO 0.01 0.08 -0.02 -0.22 0.23 0.00 0.00 176.35 176.42 3g5i s LEU 7 N 0.94 3.15 -0.15 1.79 2.96 -0.61 -0.88 118.68 125.88 3g5i s LEU 7 Ca 0.02 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3g5i s LEU 7 Cb -0.14 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.78 3g5i s LEU 7 CO 0.02 0.07 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.33 3g5i s ASP 8 N 0.98 2.79 0.26 3.68 2.15 -0.15 -0.45 116.67 125.93 3g5i s ASP 8 Ca 0.01 -0.53 -0.18 0.00 0.43 0.00 0.00 52.55 52.28 3g5i s ASP 8 Cb -0.14 -1.26 0.01 0.00 -0.30 0.00 0.00 42.92 41.23 3g5i s ASP 8 CO 0.01 -0.02 0.62 0.00 -0.17 0.00 0.00 175.17 175.61 3g5i n ASP 10 N -0.42 1.89 -4.72 0.00 5.75 -1.26 -0.50 116.55 117.29 3g5i n ASP 10 Ca -0.04 -3.14 -0.42 0.00 -0.01 0.00 0.00 54.79 51.18 3g5i n ASP 10 Cb 0.60 -0.62 -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 -2.33 4.17 0.00 0.11 0.02 -1.26 -4.39 135.00 131.32 3g5i s PRO 11 Ca 0.41 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.91 3g5i s PRO 11 Cb 0.26 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.67 3g5i s PRO 11 CO -0.09 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 3g5i n GLY 12 N 3.75 -1.89 0.25 0.52 0.00 0.10 -4.46 105.19 103.45 3g5i n GLY 12 Ca 0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 0.71 -0.09 1.61 3.86 -1.90 -0.95 115.15 118.39 3g5i h HIS 13 Ca 0.00 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.04 3g5i h HIS 13 Cb 0.00 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 3g5i h HIS 13 CO 0.00 0.40 -0.74 0.38 0.86 0.00 0.00 177.93 178.83 3g5i h ASP 14 N 0.74 0.56 -0.59 2.45 2.03 -1.96 -1.92 116.42 117.73 3g5i h ASP 14 Ca 0.25 -0.37 0.04 0.00 -0.73 0.00 0.00 57.03 56.23 3g5i h ASP 14 Cb 0.04 -0.17 -0.04 0.00 -0.83 0.00 0.00 39.33 38.33 3g5i h ASP 14 CO -0.11 1.12 0.34 0.44 -1.03 0.00 0.00 179.24 179.99 3g5i h ASP 15 N 0.32 0.53 -0.69 4.15 5.19 -1.87 0.10 116.42 124.14 3g5i h ASP 15 Ca -0.03 0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.47 3g5i h ASP 15 Cb 1.32 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.68 3g5i h ASP 15 CO 0.13 0.36 0.37 0.00 -3.12 0.00 0.00 179.24 176.98 3g5i h ALA 16 N 1.28 0.95 -0.07 3.45 0.00 -0.86 0.43 119.26 124.44 3g5i h ALA 16 Ca 0.25 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3g5i h ALA 16 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3g5i h ALA 16 CO -0.13 0.01 -0.63 0.82 0.00 0.00 0.00 179.25 179.31 3g5i h ILE 17 N 0.65 1.39 -0.58 0.00 2.04 -0.76 -1.62 117.51 118.63 3g5i h ILE 17 Ca 0.33 -2.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.10 3g5i h ILE 17 Cb 0.27 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 3g5i h ILE 17 CO -0.22 0.60 0.20 0.00 0.00 0.00 0.00 178.15 178.73 3g5i h ALA 18 N 1.15 1.26 -0.18 1.87 0.00 0.37 -1.08 119.26 122.64 3g5i h ALA 18 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3g5i h ALA 18 Cb 1.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3g5i h ALA 18 CO 0.10 0.54 0.00 0.82 0.00 0.00 0.00 179.25 180.71 3g5i h ILE 19 N 0.85 1.25 -0.50 0.00 2.04 -0.33 -1.27 117.51 119.54 3g5i h ILE 19 Ca 0.20 -0.84 0.08 0.00 1.00 0.00 0.00 64.86 65.30 3g5i h ILE 19 Cb 0.22 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 3g5i h ILE 19 CO -0.01 0.25 0.12 0.58 0.00 0.00 0.00 178.15 179.09 3g5i h VAL 20 N 0.07 0.75 -0.37 1.67 2.07 -1.02 -0.80 116.25 118.63 3g5i h VAL 20 Ca 0.05 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3g5i h VAL 20 Cb 0.37 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3g5i h VAL 20 CO 0.01 0.05 0.17 0.25 0.02 0.00 0.00 177.57 178.06 3g5i h LEU 21 N 0.27 0.49 -0.55 2.57 5.85 -1.03 -2.51 115.31 120.41 3g5i h LEU 21 Ca 0.25 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3g5i h LEU 21 Cb 0.32 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3g5i h LEU 21 CO -0.30 0.49 0.27 0.00 -0.34 0.00 0.00 178.44 178.56 3g5i h ALA 22 N 1.01 0.71 0.00 1.25 0.00 -0.79 -2.85 119.26 118.60 3g5i h ALA 22 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g5i h ALA 22 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3g5i h ALA 22 CO -0.01 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.78 3g5i n LEU 23 N -4.58 0.12 -1.02 0.00 4.32 -0.35 -1.76 117.00 113.74 3g5i n LEU 23 Ca 0.03 0.52 0.09 0.00 -0.02 0.00 0.00 56.01 56.63 3g5i n LEU 23 Cb 0.11 -0.49 0.25 0.00 -1.62 0.00 0.00 43.42 41.68 3g5i n LEU 23 CO 0.37 -0.14 0.71 0.00 -1.22 0.00 0.00 177.39 177.12 3g5i n ALA 24 N -1.55 2.41 -3.98 -1.18 0.00 -0.95 -4.83 120.51 110.44 3g5i n ALA 24 Ca 0.05 -0.97 -0.31 0.00 0.00 0.00 0.00 53.44 52.22 3g5i n ALA 24 Cb 0.29 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.04 4.62 0.03 0.00 0.01 -0.72 -4.90 113.70 111.70 3g5i s SER 25 Ca 0.37 -2.01 0.20 0.00 1.31 0.00 0.00 55.95 55.82 3g5i s SER 25 Cb 0.20 -1.50 0.83 0.00 0.21 0.00 0.00 66.02 65.75 3g5i s SER 25 CO 0.26 -0.37 1.62 -2.65 0.41 0.00 0.00 173.24 172.51 3g5i n PRO 26 N 4.36 0.02 0.32 12.44 -0.02 -1.26 -0.70 135.00 150.17 3g5i n PRO 26 Ca 0.02 0.19 0.22 0.00 -2.02 0.00 0.00 63.50 61.91 3g5i n PRO 26 Cb 0.42 -1.54 1.14 0.00 -0.02 0.00 0.00 33.50 33.50 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 -5.65 -0.52 3.07 -1.93 -3.43 114.58 106.12 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 0.34 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 27.99 3g5i h GLU 27 CO 0.00 0.00 -0.78 -0.51 -1.40 0.00 0.00 179.01 176.32 3g5i s LEU 28 N -6.08 2.64 -0.39 1.33 1.43 0.13 -0.88 118.68 116.86 3g5i s LEU 28 Ca -0.04 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3g5i s LEU 28 Cb 0.12 -1.57 0.09 0.00 0.03 0.00 0.00 46.19 44.86 3g5i s LEU 28 CO 0.42 0.22 0.19 -0.62 0.23 0.00 0.00 176.35 176.79 3g5i s ASP 29 N 0.01 5.36 -0.41 2.29 2.15 0.11 -4.82 116.67 121.35 3g5i s ASP 29 Ca -0.05 -1.67 -0.29 0.00 0.43 0.00 0.00 52.55 50.98 3g5i s ASP 29 Cb -0.14 -1.88 0.02 0.00 -0.30 0.00 0.00 42.92 40.62 3g5i s ASP 29 CO 0.04 -0.49 1.19 -0.69 -0.17 0.00 0.00 175.17 175.05 3g5i s VAL 30 N 1.29 4.22 0.06 1.11 1.01 -1.26 -0.20 120.40 126.62 3g5i s VAL 30 Ca 0.04 1.30 -0.09 0.00 0.00 0.00 0.00 61.98 63.23 3g5i s VAL 30 Cb -0.22 -4.45 -0.31 0.00 0.00 0.00 0.00 36.38 31.39 3g5i s VAL 30 CO -0.01 -0.79 1.08 0.11 0.00 0.00 0.00 175.10 175.49 3g5i h LYS 31 N 9.20 0.38 -2.42 2.72 1.79 -1.10 -3.48 116.57 123.68 3g5i h LYS 31 Ca -0.23 -0.66 0.01 0.00 -2.18 0.00 0.00 60.65 57.58 3g5i h LYS 31 Cb 1.07 0.24 -0.16 0.00 -1.58 0.00 0.00 32.23 31.81 3g5i h LYS 31 CO 1.09 1.31 0.30 0.00 -1.08 0.00 0.00 179.45 181.07 3g5i s ALA 32 N -2.63 -1.73 -0.09 3.86 0.00 -1.25 -4.27 121.76 115.64 3g5i s ALA 32 Ca -0.06 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.89 3g5i s ALA 32 Cb 0.06 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 3g5i s ALA 32 CO 0.91 -0.59 -0.23 0.42 0.00 0.00 0.00 175.76 176.26 3g5i s ILE 33 N -2.62 2.13 0.21 0.00 1.01 -0.77 -1.58 121.20 119.58 3g5i s ILE 33 Ca -0.02 -1.01 0.10 0.00 0.00 0.00 0.00 60.65 59.72 3g5i s ILE 33 Cb -0.01 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 3g5i s ILE 33 CO -0.04 0.56 -0.18 0.42 0.00 0.00 0.00 174.94 175.70 3g5i s THR 34 N 0.22 2.05 -0.15 2.92 -4.23 0.40 -2.89 115.64 113.96 3g5i s THR 34 Ca -0.15 -2.16 -0.03 0.00 -1.18 0.00 0.00 61.69 58.18 3g5i s THR 34 Cb -0.17 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 3g5i s THR 34 CO 0.08 -0.40 -0.06 -0.94 -0.54 0.00 0.00 174.62 172.76 3g5i s SER 35 N -3.09 4.54 0.41 3.99 1.04 -0.93 -1.34 113.70 118.31 3g5i s SER 35 Ca 0.22 -0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.50 3g5i s SER 35 Cb -0.04 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.35 3g5i s SER 35 CO 0.09 0.15 0.57 -0.94 0.98 0.00 0.00 173.24 174.10 3g5i s SER 36 N 0.47 5.77 -0.08 7.02 1.04 0.34 -1.36 113.70 126.90 3g5i s SER 36 Ca -0.05 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.28 3g5i s SER 36 Cb -0.15 -1.10 -0.02 0.00 0.10 0.00 0.00 66.02 64.85 3g5i s SER 36 CO 0.03 -0.66 -0.16 0.00 0.98 0.00 0.00 173.24 173.43 3g5i s ALA 37 N -2.37 2.54 0.00 5.32 0.00 -1.26 -4.38 121.76 121.62 3g5i s ALA 37 Ca 0.50 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3g5i s ALA 37 Cb -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3g5i s ALA 37 CO 0.34 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.93 3g5i n GLY 38 N 2.87 -2.31 0.37 0.00 0.00 -1.26 -4.58 105.19 100.27 3g5i n GLY 38 Ca -0.18 0.75 0.12 0.00 0.00 0.00 0.00 46.02 46.71 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 0.75 -4.30 1.61 2.35 -1.89 -3.44 115.58 110.65 3g5i h ASN 39 Ca 0.00 0.07 -0.38 0.00 -0.55 0.00 0.00 56.30 55.44 3g5i h ASN 39 Cb 0.00 -0.08 -0.10 0.00 0.05 0.00 0.00 38.32 38.19 3g5i h ASN 39 CO 0.00 0.33 -0.36 0.00 -1.65 0.00 0.00 177.43 175.76 3g5i n GLN 40 N -4.65 0.38 -1.25 0.81 1.13 -1.26 -4.93 117.38 107.61 3g5i n GLN 40 Ca 0.20 -2.75 -0.33 0.00 -1.94 0.00 0.00 57.00 52.18 3g5i n GLN 40 Cb 0.51 2.31 0.11 0.00 0.11 0.00 0.00 30.24 33.28 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 -3.09 2.40 0.41 5.09 -4.23 -1.26 -4.62 115.64 110.35 3g5i s THR 41 Ca 0.32 0.17 0.12 0.00 -1.18 0.00 0.00 61.69 61.13 3g5i s THR 41 Cb 0.01 -2.59 0.16 0.00 1.34 0.00 0.00 72.50 71.42 3g5i s THR 41 CO 0.23 -0.13 1.93 1.55 -0.54 0.00 0.00 174.62 177.66 3g5i h PRO 42 N -0.76 0.09 -0.92 3.99 0.13 -1.88 -1.12 132.00 131.53 3g5i h PRO 42 Ca -0.46 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 3g5i h PRO 42 Cb 1.28 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 3g5i h PRO 42 CO 0.48 0.29 0.58 0.93 -0.23 0.00 0.00 178.00 180.05 3g5i h GLU 43 N 0.08 1.02 0.03 0.86 3.07 -1.97 -2.01 114.58 115.66 3g5i h GLU 43 Ca 0.02 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.64 3g5i h GLU 43 Cb 0.41 -0.23 0.02 0.00 -0.84 0.00 0.00 28.75 28.10 3g5i h GLU 43 CO 0.03 0.67 -0.71 0.87 -1.40 0.00 0.00 179.01 178.47 3g5i h LYS 44 N 1.05 0.43 -0.55 2.33 1.57 -1.60 -2.09 116.57 117.71 3g5i h LYS 44 Ca 0.41 -0.50 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3g5i h LYS 44 Cb 0.19 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3g5i h LYS 44 CO -0.18 1.16 0.21 1.79 -0.57 0.00 0.00 179.45 181.86 3g5i h THR 45 N -0.08 1.22 -0.25 -0.16 1.35 -1.30 -0.43 112.91 113.27 3g5i h THR 45 Ca -0.10 -0.72 0.05 0.00 -0.55 0.00 0.00 66.41 65.10 3g5i h THR 45 Cb 1.44 0.67 -0.05 0.00 -1.73 0.00 0.00 68.15 68.47 3g5i h THR 45 CO 0.14 0.27 -0.09 0.25 -0.25 0.00 0.00 175.52 175.84 3g5i h LEU 46 N 0.75 -0.31 -0.73 3.87 5.85 -1.40 -1.90 115.31 121.43 3g5i h LEU 46 Ca 0.18 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.07 3g5i h LEU 46 Cb 0.22 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 3g5i h LEU 46 CO -0.01 -0.12 0.40 -0.09 -0.34 0.00 0.00 178.44 178.28 3g5i h ARG 47 N -0.04 0.67 -0.18 1.25 2.43 -1.13 -1.91 114.38 115.47 3g5i h ARG 47 Ca 0.13 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 3g5i h ARG 47 Cb 0.23 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3g5i h ARG 47 CO -0.28 0.44 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.30 3g5i h ASN 48 N 0.69 0.44 -0.39 -3.80 2.35 -0.46 0.33 115.58 114.74 3g5i h ASN 48 Ca 0.35 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3g5i h ASN 48 Cb 0.31 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3g5i h ASN 48 CO -0.24 0.81 0.21 0.58 -1.65 0.00 0.00 177.43 177.14 3g5i h VAL 49 N 0.34 1.15 -0.54 2.81 2.07 -0.96 -1.34 116.25 119.78 3g5i h VAL 49 Ca 0.03 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 3g5i h VAL 49 Cb 0.87 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3g5i h VAL 49 CO 0.07 0.16 -0.03 -0.07 0.02 0.00 0.00 177.57 177.72 3g5i h LEU 50 N 0.51 0.94 -0.63 2.57 3.38 -0.83 -1.51 115.31 119.74 3g5i h LEU 50 Ca 0.14 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3g5i h LEU 50 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3g5i h LEU 50 CO -0.02 1.01 -0.01 0.03 0.09 0.00 0.00 178.44 179.54 3g5i h ARG 51 N 0.87 1.07 -0.32 1.13 3.08 -0.83 -1.59 114.38 117.79 3g5i h ARG 51 Ca 0.15 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 3g5i h ARG 51 Cb 0.56 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3g5i h ARG 51 CO 0.03 1.04 -0.03 0.52 -1.07 0.00 0.00 179.97 180.46 3g5i h MET 52 N 0.97 0.58 -0.41 0.04 2.86 -0.96 0.94 114.93 118.95 3g5i h MET 52 Ca 0.17 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 3g5i h MET 52 Cb 0.57 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3g5i h MET 52 CO 0.03 0.74 0.02 -0.07 1.06 0.00 0.00 176.91 178.69 3g5i h LEU 53 N 0.37 0.61 -0.10 1.22 3.38 -1.29 0.99 115.31 120.49 3g5i h LEU 53 Ca 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3g5i h LEU 53 Cb 0.50 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3g5i h LEU 53 CO 0.02 0.67 0.04 0.74 0.09 0.00 0.00 178.44 180.00 3g5i h THR 54 N 0.62 1.13 -0.69 0.22 2.02 -1.01 -1.35 112.91 113.85 3g5i h THR 54 Ca 0.13 -0.40 0.07 0.00 0.77 0.00 0.00 66.41 66.98 3g5i h THR 54 Cb 0.36 1.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 3g5i h THR 54 CO 0.01 0.12 0.38 0.25 0.37 0.00 0.00 175.52 176.65 3g5i h LEU 55 N 0.02 0.55 -1.30 2.58 5.85 -0.18 -2.66 115.31 120.17 3g5i h LEU 55 Ca 0.03 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3g5i h LEU 55 Cb 0.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3g5i h LEU 55 CO -0.00 0.35 0.00 0.18 -0.34 0.00 0.00 178.44 178.62 3g5i n LEU 56 N -4.79 1.91 -3.98 2.25 4.77 0.29 -4.90 117.00 112.54 3g5i n LEU 56 Ca 0.09 -0.93 -0.31 0.00 -0.03 0.00 0.00 56.01 54.84 3g5i n LEU 56 Cb 0.20 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3g5i n LEU 56 CO 0.28 0.46 0.04 0.59 -1.33 0.00 0.00 177.39 177.44 3g5i n ASN 57 N 0.53 -3.91 -2.87 -1.43 3.02 -0.84 -4.92 115.26 104.83 3g5i n ASN 57 Ca 0.13 -0.85 -0.25 0.00 -0.03 0.00 0.00 54.58 53.57 3g5i n ASN 57 Cb 0.31 -3.57 -0.03 0.00 -0.61 0.00 0.00 39.78 35.88 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 -4.57 2.95 0.00 3.52 5.12 -0.57 -4.84 116.66 118.27 3g5i n ARG 58 Ca 0.00 -4.58 0.08 0.00 -1.93 0.00 0.00 57.85 51.43 3g5i n ARG 58 Cb 0.54 -2.15 0.42 0.00 -1.16 0.00 0.00 32.46 30.11 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 -0.23 0.53 0.36 0.55 -2.24 -1.25 -2.85 114.28 109.16 3g5i n THR 59 Ca 0.31 0.13 0.14 0.00 -2.27 0.00 0.00 64.05 62.36 3g5i n THR 59 Cb 0.49 -0.85 0.45 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.27 3.42 2.03 -1.94 -3.44 116.42 113.22 3g5i h ASP 60 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3g5i h ASP 60 Cb 0.17 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.61 3g5i h ASP 60 CO 0.00 0.00 0.47 -0.63 -1.03 0.00 0.00 179.24 178.05 3g5i s ILE 61 N -3.35 4.84 0.30 4.15 1.01 -1.13 -5.01 121.20 122.00 3g5i s ILE 61 Ca 0.05 1.76 -0.29 0.00 0.00 0.00 0.00 60.65 62.17 3g5i s ILE 61 Cb 0.09 -4.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.26 3g5i s ILE 61 CO 0.55 0.00 1.49 -2.16 0.00 0.00 0.00 174.94 174.83 3g5i s PRO 62 N 2.22 4.19 0.03 2.79 0.04 -1.26 -4.85 135.00 138.17 3g5i s PRO 62 Ca 0.41 2.45 0.07 0.00 0.04 0.00 0.00 61.00 63.97 3g5i s PRO 62 Cb -0.17 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 3g5i s PRO 62 CO 0.13 -0.50 -0.20 0.08 0.04 0.00 0.00 177.00 176.55 3g5i s VAL 63 N -0.34 1.64 -0.03 -0.36 1.01 -1.26 -1.85 120.40 119.22 3g5i s VAL 63 Ca 0.58 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 3g5i s VAL 63 Cb -0.45 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.52 3g5i s VAL 63 CO 0.50 0.24 0.19 0.00 0.00 0.00 0.00 175.10 176.03 3g5i s ALA 64 N -0.75 -0.46 0.19 5.51 0.00 -1.14 0.64 121.76 125.75 3g5i s ALA 64 Ca 0.07 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.95 3g5i s ALA 64 Cb -0.09 -0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 3g5i s ALA 64 CO 0.01 -0.18 0.87 0.20 0.00 0.00 0.00 175.76 176.67 3g5i s GLY 65 N -0.83 3.01 0.00 0.00 0.00 -1.26 -2.19 107.32 106.05 3g5i s GLY 65 Ca -0.09 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.12 3g5i s GLY 65 CO 0.01 1.08 0.00 0.61 0.00 0.00 0.00 173.10 174.81 3g5i n GLY 66 N 1.65 2.50 3.61 0.20 0.00 -0.47 -1.24 105.19 111.45 3g5i n GLY 66 Ca -0.03 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 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 0.17 1.41 4.61 0.00 -1.26 -4.88 120.51 117.56 3g5i n ALA 67 Ca 0.00 0.33 0.14 0.00 0.00 0.00 0.00 53.44 53.92 3g5i n ALA 67 Cb 0.00 -2.08 0.65 0.00 0.00 0.00 0.00 19.45 18.02 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 0.02 0.00 -3.52 0.00 0.24 -1.26 -4.31 118.33 109.50 3g5i n VAL 68 Ca 0.08 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.27 3g5i n VAL 68 Cb 0.35 -0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 32.49 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 -2.51 0.77 0.88 7.34 -2.85 -1.26 -4.76 119.74 117.35 3g5i s LYS 69 Ca 0.29 -0.29 -0.12 0.00 -1.00 0.00 0.00 55.97 54.84 3g5i s LYS 69 Cb 0.20 0.35 0.08 0.00 -2.06 0.00 0.00 37.83 36.40 3g5i s LYS 69 CO 0.47 -0.34 0.91 -2.30 0.10 0.00 0.00 175.35 174.20 3g5i n PRO 70 N -0.24 -0.15 -0.26 1.78 -0.02 -1.24 -4.88 135.00 129.99 3g5i n PRO 70 Ca -0.08 0.02 0.07 0.00 -2.02 0.00 0.00 63.50 61.49 3g5i n PRO 70 Cb 0.61 -2.21 0.20 0.00 -0.02 0.00 0.00 33.50 32.09 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 -1.37 0.09 -1.85 2.45 3.38 -1.93 -3.29 115.31 112.79 3g5i h LEU 71 Ca -0.44 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3g5i h LEU 71 Cb 1.29 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3g5i h LEU 71 CO 0.41 -0.02 -0.14 0.23 0.09 0.00 0.00 178.44 179.01 3g5i n MET 72 N -5.12 0.66 -4.11 1.13 2.81 -1.26 -5.09 117.12 106.13 3g5i n MET 72 Ca 0.15 -1.05 -0.10 0.00 -1.81 0.00 0.00 57.70 54.90 3g5i n MET 72 Cb 0.49 -0.70 -0.09 0.00 -0.71 0.00 0.00 33.22 32.20 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 -0.50 0.96 0.45 0.03 0.52 -1.24 -5.14 118.95 114.03 3g5i s ARG 73 Ca 0.04 -1.38 -0.21 0.00 -0.52 0.00 0.00 55.73 53.66 3g5i s ARG 73 Cb 0.03 0.27 -0.10 0.00 0.52 0.00 0.00 34.95 35.67 3g5i s ARG 73 CO 0.00 -0.29 0.97 -1.21 0.02 0.00 0.00 175.30 174.79 3g5i s GLU 74 N -4.03 4.14 0.35 3.54 0.41 -1.26 -3.65 118.70 118.20 3g5i s GLU 74 Ca 0.22 1.15 -0.28 0.00 -0.41 0.00 0.00 54.97 55.65 3g5i s GLU 74 Cb 0.07 -2.16 -0.10 0.00 -1.78 0.00 0.00 34.13 30.15 3g5i s GLU 74 CO 0.01 -0.11 1.35 -1.17 -0.49 0.00 0.00 175.26 174.85 3g5i s LEU 75 N -3.29 4.38 -0.21 1.80 2.96 -1.26 -4.72 118.68 118.35 3g5i s LEU 75 Ca 0.63 2.78 -0.04 0.00 -0.22 0.00 0.00 54.13 57.28 3g5i s LEU 75 Cb -0.10 -3.67 0.09 0.00 0.50 0.00 0.00 46.19 43.01 3g5i s LEU 75 CO 0.15 -0.65 0.20 0.27 -1.32 0.00 0.00 176.35 175.01 3g5i s ILE 76 N -1.14 -0.28 0.25 6.68 -4.36 -1.26 -5.09 121.20 115.99 3g5i s ILE 76 Ca 0.50 -0.17 0.05 0.00 -0.26 0.00 0.00 60.65 60.77 3g5i s ILE 76 Cb -0.41 -0.69 0.05 0.00 1.25 0.00 0.00 42.46 42.65 3g5i s ILE 76 CO 0.55 -0.26 0.98 0.77 0.24 0.00 0.00 174.94 177.22 3g5i h SER 85 N 8.33 0.00 0.00 4.36 4.64 -2.00 -3.46 113.55 125.42 3g5i h SER 85 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3g5i h SER 85 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3g5i h SER 85 CO 0.29 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 3g5i n GLY 86 N -1.27 0.51 2.71 -0.77 0.00 -1.26 -4.81 105.19 100.30 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 -4.77 0.99 4.77 -1.26 0.02 117.00 117.93 3g5i n LEU 87 Ca 0.00 -3.49 -0.32 0.00 -0.03 0.00 0.00 56.01 52.17 3g5i n LEU 87 Cb 0.00 0.41 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 3g5i n LEU 87 CO 0.00 1.44 0.73 -1.81 -1.33 0.00 0.00 177.39 176.42 3g5i s ASP 88 N -3.13 4.85 0.00 -1.43 1.11 -1.26 -4.54 116.67 112.27 3g5i s ASP 88 Ca 0.26 1.95 0.00 0.00 0.18 0.00 0.00 52.55 54.94 3g5i s ASP 88 Cb 0.42 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.86 3g5i s ASP 88 CO 0.00 -1.80 0.00 0.61 1.18 0.00 0.00 175.17 175.16 3g5i n GLY 89 N -0.73 1.92 3.79 0.21 0.00 -1.26 -4.78 105.19 104.34 3g5i n GLY 89 Ca 0.10 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 3.15 -0.14 1.61 0.04 -1.26 -5.00 135.00 133.40 3g5i s PRO 90 Ca 0.00 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 3g5i s PRO 90 Cb 0.00 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 3g5i s PRO 90 CO 0.00 -0.95 1.33 0.00 0.04 0.00 0.00 177.00 177.42 3g5i s ALA 91 N -2.42 3.65 0.15 8.56 0.00 -1.26 -5.04 121.76 125.39 3g5i s ALA 91 Ca 0.65 0.54 0.05 0.00 0.00 0.00 0.00 51.96 53.20 3g5i s ALA 91 Cb -0.17 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 3g5i s ALA 91 CO 0.39 -1.21 0.09 -0.51 0.00 0.00 0.00 175.76 174.52 3g5i s LEU 92 N 3.57 3.70 0.56 0.00 1.43 -1.26 -5.07 118.68 121.61 3g5i s LEU 92 Ca 0.58 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.33 3g5i s LEU 92 Cb -0.24 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 3g5i s LEU 92 CO 0.17 0.10 1.12 -2.16 0.23 0.00 0.00 176.35 175.81 3g5i s PRO 93 N -2.91 3.30 0.46 1.29 0.04 -1.26 -5.03 135.00 130.89 3g5i s PRO 93 Ca 0.30 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 3g5i s PRO 93 Cb -0.10 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3g5i s PRO 93 CO 0.22 -0.88 1.13 -1.21 0.04 0.00 0.00 177.00 176.29 3g5i s GLU 94 N -3.42 3.77 0.27 4.56 0.41 -1.26 -4.67 118.70 118.37 3g5i s GLU 94 Ca 0.71 1.66 -0.30 0.00 -0.41 0.00 0.00 54.97 56.63 3g5i s GLU 94 Cb -0.23 -2.34 -0.12 0.00 -1.78 0.00 0.00 34.13 29.67 3g5i s GLU 94 CO 0.29 -0.51 1.58 -2.30 -0.49 0.00 0.00 175.26 173.82 3g5i n PRO 95 N -0.59 2.59 -0.02 0.39 -0.02 -1.26 -4.90 135.00 131.19 3g5i n PRO 95 Ca 0.08 0.92 0.09 0.00 -2.02 0.00 0.00 63.50 62.57 3g5i n PRO 95 Cb 0.49 -2.69 0.09 0.00 -0.02 0.00 0.00 33.50 31.37 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 2.29 0.06 -4.15 3.45 -2.24 -1.26 -5.00 114.28 107.43 3g5i n THR 96 Ca 0.10 -0.53 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 3g5i n THR 96 Cb 0.35 1.33 -0.10 0.00 -2.10 0.00 0.00 70.33 69.81 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 -1.48 0.86 0.05 4.78 -0.12 -1.26 -5.16 117.98 115.64 3g5i s PHE 97 Ca 0.22 -1.23 0.03 0.00 -0.05 0.00 0.00 56.93 55.90 3g5i s PHE 97 Cb 0.15 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 3g5i s PHE 97 CO 0.23 -0.53 0.03 0.00 -0.05 0.00 0.00 175.22 174.90 3g5i s ALA 98 N -4.05 3.39 0.80 1.99 0.00 -1.26 -5.04 121.76 117.59 3g5i s ALA 98 Ca 0.24 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 3g5i s ALA 98 Cb 0.07 -1.34 0.07 0.00 0.00 0.00 0.00 23.12 21.92 3g5i s ALA 98 CO 0.02 0.70 1.11 -1.25 0.00 0.00 0.00 175.76 176.33 3g5i s PRO 99 N -2.02 2.01 0.79 0.00 0.04 -1.26 -4.81 135.00 129.75 3g5i s PRO 99 Ca 0.24 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 3g5i s PRO 99 Cb -0.12 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.64 3g5i s PRO 99 CO 0.16 -1.85 1.20 -0.65 0.04 0.00 0.00 177.00 175.90 3g5i s GLN 100 N -4.78 1.75 -1.43 4.56 -1.52 0.21 -4.89 119.66 113.57 3g5i s GLN 100 Ca 0.63 1.72 -0.08 0.00 -1.95 0.00 0.00 55.36 55.68 3g5i s GLN 100 Cb -0.19 -1.79 0.05 0.00 -0.22 0.00 0.00 33.01 30.86 3g5i s GLN 100 CO 0.55 -2.12 2.52 -1.71 -0.25 0.00 0.00 175.29 174.28 3g5i n ASN 101 N -3.21 7.81 -2.57 5.90 5.15 -1.26 -4.80 115.26 122.28 3g5i n ASN 101 Ca 0.13 -2.94 -0.09 0.00 -0.60 0.00 0.00 54.58 51.08 3g5i n ASN 101 Cb 0.51 -1.45 0.01 0.00 -0.53 0.00 0.00 39.78 38.32 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 -2.39 3.24 0.13 0.00 -4.23 -1.26 -4.33 115.64 106.79 3g5i s THR 103 Ca 0.17 -0.35 -0.19 0.00 -1.18 0.00 0.00 61.69 60.13 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 0.12 -0.23 1.75 0.00 -0.54 0.00 0.00 174.62 175.73 3g5i h ALA 104 N -0.04 0.24 -0.69 3.99 0.00 -1.39 -0.73 119.26 120.64 3g5i h ALA 104 Ca -0.45 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.57 3g5i h ALA 104 Cb 1.28 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 3g5i h ALA 104 CO 0.57 -0.33 0.35 0.28 0.00 0.00 0.00 179.25 180.12 3g5i h VAL 105 N 0.19 0.87 -0.39 0.00 2.07 -1.87 0.56 116.25 117.68 3g5i h VAL 105 Ca 0.09 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3g5i h VAL 105 Cb 0.05 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3g5i h VAL 105 CO -0.08 0.11 0.07 -0.33 0.02 0.00 0.00 177.57 177.36 3g5i h GLU 106 N 0.61 0.63 -0.45 1.57 5.08 -1.83 0.24 114.58 120.44 3g5i h GLU 106 Ca 0.33 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3g5i h GLU 106 Cb 0.32 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3g5i h GLU 106 CO -0.25 0.68 0.08 1.25 -1.00 0.00 0.00 179.01 179.78 3g5i h LEU 107 N 0.48 0.70 -0.03 1.33 5.85 -0.61 -0.49 115.31 122.54 3g5i h LEU 107 Ca 0.12 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3g5i h LEU 107 Cb 0.35 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3g5i h LEU 107 CO 0.01 0.78 -0.18 0.24 -0.34 0.00 0.00 178.44 178.94 3g5i h MET 108 N 0.60 -0.27 -0.41 1.25 2.86 -0.73 -1.44 114.93 116.79 3g5i h MET 108 Ca 0.14 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3g5i h MET 108 Cb 0.37 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3g5i h MET 108 CO 0.01 -0.18 0.22 0.00 1.06 0.00 0.00 176.91 178.02 3g5i h ALA 109 N 0.66 0.52 -0.29 6.32 0.00 -0.85 -1.63 119.26 123.99 3g5i h ALA 109 Ca 0.07 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3g5i h ALA 109 Cb 0.37 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 3g5i h ALA 109 CO -0.19 0.05 -0.19 -0.22 0.00 0.00 0.00 179.25 178.70 3g5i h LYS 110 N 0.52 -0.16 -0.61 0.00 3.64 -0.99 -0.12 116.57 118.86 3g5i h LYS 110 Ca 0.14 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 3g5i h LYS 110 Cb 0.06 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3g5i h LYS 110 CO -0.02 -0.10 0.32 1.15 -2.27 0.00 0.00 179.45 178.53 3g5i h THR 111 N -0.16 0.95 -0.04 1.00 2.02 -0.85 -1.81 112.91 114.02 3g5i h THR 111 Ca 0.15 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3g5i h THR 111 Cb 0.40 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3g5i h THR 111 CO -0.38 0.11 0.01 -0.07 0.37 0.00 0.00 175.52 175.56 3g5i h LEU 112 N 0.61 0.07 -0.84 2.58 3.38 -0.86 -1.21 115.31 119.03 3g5i h LEU 112 Ca 0.27 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.13 3g5i h LEU 112 Cb 0.18 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 3g5i h LEU 112 CO -0.18 0.28 0.46 0.03 0.09 0.00 0.00 178.44 179.12 3g5i h ARG 113 N -0.15 0.69 -0.01 1.13 3.08 -0.83 -2.64 114.38 115.65 3g5i h ARG 113 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3g5i h ARG 113 Cb 0.24 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3g5i h ARG 113 CO 0.00 0.46 -0.36 -0.85 -1.07 0.00 0.00 179.97 178.14 3g5i n GLU 114 N -4.81 0.97 -2.60 0.04 0.28 -0.70 -4.89 120.64 108.93 3g5i n GLU 114 Ca 0.15 -0.68 -0.39 0.00 -0.16 0.00 0.00 57.16 56.08 3g5i n GLU 114 Cb 0.36 -1.49 -0.05 0.00 1.43 0.00 0.00 31.44 31.69 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 -2.51 7.22 0.22 -1.84 0.15 -0.46 -4.95 113.70 111.53 3g5i s SER 115 Ca 0.22 2.06 0.17 0.00 0.70 0.00 0.00 55.95 59.10 3g5i s SER 115 Cb 0.19 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.92 3g5i s SER 115 CO 0.55 -0.16 1.23 0.00 1.20 0.00 0.00 173.24 176.06 3g5i h ALA 116 N 3.41 0.68 -2.10 5.45 0.00 -1.90 -3.47 119.26 121.33 3g5i h ALA 116 Ca -0.47 -0.48 -0.50 0.00 0.00 0.00 0.00 54.91 53.46 3g5i h ALA 116 Cb 1.21 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 3g5i h ALA 116 CO 0.66 0.59 -0.69 -1.83 0.00 0.00 0.00 179.25 177.98 3g5i s GLU 117 N -3.02 1.54 0.54 0.00 -1.05 -1.26 -5.12 118.70 110.33 3g5i s GLU 117 Ca 0.02 -1.76 -0.22 0.00 -0.15 0.00 0.00 54.97 52.86 3g5i s GLU 117 Cb 0.08 -1.20 -0.05 0.00 -0.44 0.00 0.00 34.13 32.52 3g5i s GLU 117 CO 0.76 0.08 1.33 -2.30 0.95 0.00 0.00 175.26 176.08 3g5i n PRO 118 N -0.56 1.64 -4.30 -4.83 -0.02 -1.26 -4.97 135.00 120.69 3g5i n PRO 118 Ca -0.06 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.68 3g5i n PRO 118 Cb 0.63 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.30 4.46 -0.17 -1.45 1.01 0.86 -4.64 120.40 119.17 3g5i s VAL 119 Ca 0.71 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 62.26 3g5i s VAL 119 Cb -0.42 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3g5i s VAL 119 CO 0.49 0.58 0.67 -0.89 0.00 0.00 0.00 175.10 175.96 3g5i s THR 120 N -0.93 5.00 -0.14 3.92 2.01 -0.40 -1.26 115.64 123.85 3g5i s THR 120 Ca 0.14 1.30 -0.17 0.00 0.31 0.00 0.00 61.69 63.27 3g5i s THR 120 Cb -0.11 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 3g5i s THR 120 CO 0.03 0.12 0.41 -0.63 -0.69 0.00 0.00 174.62 173.87 3g5i s ILE 121 N 1.77 5.23 -0.24 1.82 1.01 -0.69 -0.32 121.20 129.79 3g5i s ILE 121 Ca 0.32 0.81 -0.00 0.00 0.00 0.00 0.00 60.65 61.77 3g5i s ILE 121 Cb -0.16 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.59 3g5i s ILE 121 CO 0.12 0.34 -0.10 -0.69 0.00 0.00 0.00 174.94 174.61 3g5i s VAL 122 N 0.63 2.55 -0.17 2.92 1.01 -0.06 0.57 120.40 127.84 3g5i s VAL 122 Ca 0.22 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3g5i s VAL 122 Cb -0.14 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 33.96 3g5i s VAL 122 CO 0.08 0.21 -0.15 -0.94 0.00 0.00 0.00 175.10 174.30 3g5i s SER 123 N 1.27 3.04 -0.01 3.32 1.04 0.00 -0.98 113.70 121.37 3g5i s SER 123 Ca -0.01 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.80 3g5i s SER 123 Cb -0.17 -1.30 0.08 0.00 0.10 0.00 0.00 66.02 64.73 3g5i s SER 123 CO -0.06 -0.06 1.06 0.35 0.98 0.00 0.00 173.24 175.51 3g5i n THR 124 N 4.69 1.09 -2.86 2.02 -2.24 -0.30 -2.11 114.28 114.58 3g5i n THR 124 Ca -0.18 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 3g5i n THR 124 Cb 0.49 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.42 5.32 3.60 3.38 0.00 -1.26 -4.58 105.19 111.24 3g5i n GLY 125 Ca 0.03 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.47 -0.29 1.61 -0.02 -1.26 -4.89 135.00 129.61 3g5i n PRO 126 Ca 0.00 -0.08 0.06 0.00 -2.02 0.00 0.00 63.50 61.46 3g5i n PRO 126 Cb 0.00 -2.23 0.19 0.00 -0.02 0.00 0.00 33.50 31.43 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 -3.59 2.28 -0.19 -0.52 1.13 -1.26 -4.55 117.38 110.68 3g5i n GLN 127 Ca 0.10 -1.51 -0.01 0.00 -1.94 0.00 0.00 57.00 53.65 3g5i n GLN 127 Cb 0.52 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.46 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 2.27 0.49 -0.10 5.09 2.02 -1.89 0.09 112.91 120.89 3g5i h THR 128 Ca 0.00 -0.03 -0.20 0.00 0.77 0.00 0.00 66.41 66.96 3g5i h THR 128 Cb 0.77 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3g5i h THR 128 CO 0.08 0.01 -0.75 0.78 0.37 0.00 0.00 175.52 176.02 3g5i h ASN 129 N 0.08 0.62 -0.49 4.18 2.35 -1.96 -2.08 115.58 118.27 3g5i h ASN 129 Ca 0.29 -0.41 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 3g5i h ASN 129 Cb 0.46 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3g5i h ASN 129 CO -0.52 1.16 0.03 0.58 -1.65 0.00 0.00 177.43 177.03 3g5i h VAL 130 N 0.35 1.26 -0.47 2.81 2.07 -1.67 -1.29 116.25 119.32 3g5i h VAL 130 Ca -0.04 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 3g5i h VAL 130 Cb 1.34 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3g5i h VAL 130 CO 0.14 0.36 0.01 0.00 0.02 0.00 0.00 177.57 178.10 3g5i h ALA 131 N 0.94 0.63 -0.50 1.67 0.00 -0.99 0.03 119.26 121.04 3g5i h ALA 131 Ca 0.14 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3g5i h ALA 131 Cb 0.47 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3g5i h ALA 131 CO 0.02 0.42 0.28 -0.07 0.00 0.00 0.00 179.25 179.89 3g5i h LEU 132 N 0.67 0.42 -0.25 0.00 3.38 -1.16 -0.99 115.31 117.38 3g5i h LEU 132 Ca 0.13 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3g5i h LEU 132 Cb 0.49 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3g5i h LEU 132 CO 0.02 0.30 0.16 0.25 0.09 0.00 0.00 178.44 179.25 3g5i h LEU 133 N 0.54 0.30 -0.11 1.67 5.85 -1.08 -0.18 115.31 122.31 3g5i h LEU 133 Ca 0.21 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3g5i h LEU 133 Cb 0.07 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3g5i h LEU 133 CO -0.12 0.25 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.07 3g5i h LEU 134 N 0.32 -0.27 -0.63 2.25 3.38 -0.74 0.84 115.31 120.46 3g5i h LEU 134 Ca 0.09 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3g5i h LEU 134 Cb 0.00 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3g5i h LEU 134 CO -0.02 -0.12 -0.65 0.78 0.09 0.00 0.00 178.44 178.52 3g5i h ASN 135 N -0.10 0.16 0.41 -0.43 2.35 -1.05 -3.26 115.58 113.66 3g5i h ASN 135 Ca 0.07 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3g5i h ASN 135 Cb 0.20 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3g5i h ASN 135 CO -0.17 0.77 -0.80 -1.54 -1.65 0.00 0.00 177.43 174.04 3g5i n SER 136 N -3.80 0.64 -3.19 5.81 3.41 -0.09 -4.51 113.62 111.89 3g5i n SER 136 Ca -0.02 -0.34 -0.24 0.00 -0.26 0.00 0.00 58.87 58.01 3g5i n SER 136 Cb 0.65 0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 65.13 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 -1.72 1.73 0.31 7.33 8.25 0.27 -4.90 115.22 126.49 3g5i n HIS 137 Ca 0.04 -3.87 0.20 0.00 -0.26 0.00 0.00 57.72 53.83 3g5i n HIS 137 Cb 0.38 -0.45 0.94 0.00 1.12 0.00 0.00 29.99 31.98 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 3.54 0.00 0.00 -0.41 0.13 -1.79 -1.51 132.00 131.96 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 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3g5i h PRO 138 CO 0.64 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.56 3g5i n GLU 139 N -3.07 0.29 -0.14 0.86 0.00 -1.26 -2.99 120.64 114.34 3g5i n GLU 139 Ca -0.01 0.04 0.08 0.00 0.00 0.00 0.00 57.16 57.27 3g5i n GLU 139 Cb 0.19 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.28 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 -1.33 2.84 0.28 -1.84 4.77 -0.57 -4.51 117.00 116.64 3g5i n LEU 140 Ca 0.11 -1.56 0.12 0.00 -0.03 0.00 0.00 56.01 54.65 3g5i n LEU 140 Cb 0.23 -0.18 0.80 0.00 -2.33 0.00 0.00 43.42 41.94 3g5i n LEU 140 CO 0.21 0.64 1.09 0.45 -1.33 0.00 0.00 177.39 178.44 3g5i h HIS 141 N 2.89 0.00 0.00 -1.77 3.86 -1.62 -1.43 115.15 117.09 3g5i h HIS 141 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3g5i h HIS 141 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 3g5i h HIS 141 CO 0.18 0.02 0.00 0.66 0.86 0.00 0.00 177.93 179.65 3g5i h SER 142 N 0.00 0.00 -0.24 2.45 4.64 -1.84 -2.34 113.55 116.22 3g5i h SER 142 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g5i h SER 142 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3g5i h SER 142 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3g5i n LYS 143 N -2.50 2.03 -3.76 4.77 4.76 -0.54 -4.74 118.16 118.18 3g5i n LYS 143 Ca 0.04 -1.55 -0.37 0.00 -2.87 0.00 0.00 58.31 53.56 3g5i n LYS 143 Cb 0.38 -1.44 -0.13 0.00 -1.84 0.00 0.00 35.03 32.01 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 -1.69 3.89 0.03 -0.18 1.01 -0.88 -0.10 121.20 123.27 3g5i s ILE 144 Ca 0.34 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.92 3g5i s ILE 144 Cb 0.19 -3.07 -0.17 0.00 0.01 0.00 0.00 42.46 39.43 3g5i s ILE 144 CO 0.28 0.00 1.43 0.00 0.00 0.00 0.00 174.94 176.65 3g5i h ALA 145 N 8.23 0.06 -2.15 9.38 0.00 -1.44 -3.46 119.26 129.87 3g5i h ALA 145 Ca -0.29 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.60 3g5i h ALA 145 Cb 1.11 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 3g5i h ALA 145 CO 0.60 -0.25 0.55 -0.98 0.00 0.00 0.00 179.25 179.17 3g5i s ARG 146 N -4.85 0.86 -0.17 0.00 1.70 -1.26 -4.51 118.95 110.71 3g5i s ARG 146 Ca -0.15 -0.39 0.01 0.00 -0.47 0.00 0.00 55.73 54.73 3g5i s ARG 146 Cb 0.04 0.34 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 3g5i s ARG 146 CO 0.69 -0.38 -0.20 0.42 -1.08 0.00 0.00 175.30 174.74 3g5i s ILE 147 N -3.05 2.10 -0.25 4.99 1.01 -0.37 -1.70 121.20 123.93 3g5i s ILE 147 Ca 0.08 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 3g5i s ILE 147 Cb -0.01 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3g5i s ILE 147 CO -0.05 0.54 0.07 -0.69 0.00 0.00 0.00 174.94 174.81 3g5i s VAL 148 N 1.21 4.28 0.11 2.92 1.01 0.19 -0.53 120.40 129.59 3g5i s VAL 148 Ca 0.03 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3g5i s VAL 148 Cb -0.13 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3g5i s VAL 148 CO -0.11 0.33 -0.14 0.27 0.00 0.00 0.00 175.10 175.45 3g5i s ILE 149 N 1.61 3.14 -0.34 2.22 -4.36 0.50 -0.82 121.20 123.15 3g5i s ILE 149 Ca 0.06 -1.37 -0.14 0.00 -0.26 0.00 0.00 60.65 58.95 3g5i s ILE 149 Cb -0.15 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.09 3g5i s ILE 149 CO 0.03 0.11 0.30 -0.32 0.24 0.00 0.00 174.94 175.31 3g5i s MET 150 N -2.17 3.53 0.00 0.37 -2.45 -0.90 -0.71 119.30 116.98 3g5i s MET 150 Ca 0.20 -0.53 0.00 0.00 -1.25 0.00 0.00 55.69 54.11 3g5i s MET 150 Cb -0.11 -3.81 0.00 0.00 1.25 0.00 0.00 34.83 32.17 3g5i s MET 150 CO 0.12 -0.49 0.00 0.41 1.05 0.00 0.00 175.02 176.11 3g5i n GLY 151 N 5.03 1.59 0.00 2.11 0.00 -0.89 -4.64 105.19 108.39 3g5i n GLY 151 Ca -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.43 0.14 3.58 -0.02 0.00 -1.26 -3.54 105.19 103.67 3g5i n GLY 152 Ca 0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.85 -1.79 0.14 4.61 0.00 -1.26 -1.14 121.76 120.47 3g5i s ALA 153 Ca 0.00 2.26 -0.11 0.00 0.00 0.00 0.00 51.96 54.11 3g5i s ALA 153 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 3g5i s ALA 153 CO 0.00 -0.52 1.48 1.98 0.00 0.00 0.00 175.76 178.71 3g5i h MET 154 N 7.31 0.93 0.00 0.00 4.05 -1.96 -3.39 114.93 121.86 3g5i h MET 154 Ca -0.27 -0.47 0.00 0.00 -0.28 0.00 0.00 59.70 58.68 3g5i h MET 154 Cb 1.19 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 3g5i h MET 154 CO 0.16 1.12 0.00 0.41 0.23 0.00 0.00 176.91 178.83 3g5i n GLY 155 N 0.09 1.37 3.76 1.39 0.00 -1.26 -4.87 105.19 105.66 3g5i n GLY 155 Ca -0.02 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 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 3.97 0.64 0.99 1.43 -1.26 -4.90 118.68 119.56 3g5i s LEU 156 Ca 0.00 2.76 -0.06 0.00 -1.03 0.00 0.00 54.13 55.80 3g5i s LEU 156 Cb 0.00 -4.14 0.04 0.00 0.03 0.00 0.00 46.19 42.12 3g5i s LEU 156 CO 0.00 -1.33 0.94 -0.83 0.23 0.00 0.00 176.35 175.36 3g5i s GLY 157 N -0.84 1.66 0.00 -3.19 0.00 -0.13 -4.87 107.32 99.96 3g5i s GLY 157 Ca 0.66 -0.86 0.15 0.00 0.00 0.00 0.00 44.72 44.67 3g5i s GLY 157 CO 0.49 -0.52 1.08 1.16 0.00 0.00 0.00 173.10 175.31 3g5i n ASN 158 N -2.72 2.53 -0.01 1.64 6.94 -1.03 -4.73 115.26 117.87 3g5i n ASN 158 Ca 0.06 -1.73 -0.03 0.00 -0.02 0.00 0.00 54.58 52.86 3g5i n ASN 158 Cb 0.59 -0.08 -0.01 0.00 -2.36 0.00 0.00 39.78 37.92 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 0.87 0.00 -4.55 -2.53 -0.00 -0.54 -4.83 117.44 105.86 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 0.41 -0.12 -0.11 0.00 -0.00 0.00 0.00 31.31 31.50 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 -2.07 1.99 0.43 5.87 -4.23 -1.07 -5.01 115.64 111.55 3g5i s THR 160 Ca -0.05 -2.10 0.22 0.00 -1.18 0.00 0.00 61.69 58.58 3g5i s THR 160 Cb 0.02 -2.77 0.42 0.00 1.34 0.00 0.00 72.50 71.50 3g5i s THR 160 CO 0.06 -0.12 1.79 -0.65 -0.54 0.00 0.00 174.62 175.15 3g5i h PRO 161 N 1.96 0.31 0.00 3.99 0.11 -1.90 -2.64 132.00 133.85 3g5i h PRO 161 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3g5i h PRO 161 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3g5i h PRO 161 CO 0.74 0.21 -0.83 0.00 -0.21 0.00 0.00 178.00 177.91 3g5i n ALA 162 N -2.53 3.86 -2.60 -0.75 0.00 -1.26 -0.95 120.51 116.28 3g5i n ALA 162 Ca 0.25 -0.43 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 3g5i n ALA 162 Cb 0.92 -0.56 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.51 1.59 0.39 0.00 0.00 -0.99 -4.30 121.76 115.93 3g5i s ALA 163 Ca 0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 3g5i s ALA 163 Cb 0.11 -0.44 -0.10 0.00 0.00 0.00 0.00 23.12 22.69 3g5i s ALA 163 CO 0.63 0.36 0.90 -2.00 0.00 0.00 0.00 175.76 175.65 3g5i s GLU 164 N -0.30 4.21 0.11 0.00 -6.30 -1.26 -1.47 118.70 113.69 3g5i s GLU 164 Ca 0.04 1.03 -0.33 0.00 -2.50 0.00 0.00 54.97 53.21 3g5i s GLU 164 Cb -0.09 -2.31 -0.13 0.00 0.00 0.00 0.00 34.13 31.61 3g5i s GLU 164 CO 0.00 0.05 1.56 0.35 0.02 0.00 0.00 175.26 177.24 3g5i h PHE 165 N 2.13 -1.47 -1.00 5.30 3.57 -1.94 -0.30 116.94 123.22 3g5i h PHE 165 Ca -0.49 0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.26 3g5i h PHE 165 Cb 1.18 0.64 -0.11 0.00 2.79 0.00 0.00 35.95 40.45 3g5i h PHE 165 CO 0.62 -0.57 0.61 -0.91 -2.23 0.00 0.00 178.31 175.83 3g5i h ASN 166 N -0.68 0.74 0.10 0.41 2.35 -1.91 -0.70 115.58 115.89 3g5i h ASN 166 Ca 0.01 0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 3g5i h ASN 166 Cb 0.72 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 39.09 3g5i h ASN 166 CO -0.32 0.23 -0.67 0.40 -1.65 0.00 0.00 177.43 175.41 3g5i h ILE 167 N 0.70 1.54 -0.87 2.81 1.08 -1.82 -3.27 117.51 117.68 3g5i h ILE 167 Ca 0.59 -2.44 0.15 0.00 -0.39 0.00 0.00 64.86 62.77 3g5i h ILE 167 Cb 1.00 3.14 -0.07 0.00 -3.07 0.00 0.00 36.82 37.82 3g5i h ILE 167 CO -0.39 0.69 0.56 0.22 -0.69 0.00 0.00 178.15 178.53 3g5i h TYR 168 N -0.42 0.74 -0.13 1.37 3.20 -0.22 -1.19 116.97 120.32 3g5i h TYR 168 Ca -0.11 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 3g5i h TYR 168 Cb 1.51 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 3g5i h TYR 168 CO 0.20 0.27 -0.19 0.28 -1.64 0.00 0.00 178.16 177.08 3g5i h VAL 169 N 0.62 1.20 -1.66 1.81 2.07 -1.21 -3.36 116.25 115.73 3g5i h VAL 169 Ca 0.44 -0.94 -0.36 0.00 0.82 0.00 0.00 66.70 66.66 3g5i h VAL 169 Cb 0.77 1.32 -0.27 0.00 -1.52 0.00 0.00 31.29 31.60 3g5i h VAL 169 CO -0.19 0.29 -0.72 -0.62 0.02 0.00 0.00 177.57 176.35 3g5i s ASP 170 N -6.89 -0.04 0.25 0.57 -1.08 -0.55 -4.73 116.67 104.21 3g5i s ASP 170 Ca -0.05 -2.31 0.01 0.00 -0.52 0.00 0.00 52.55 49.68 3g5i s ASP 170 Cb 0.15 0.79 0.32 0.00 -1.46 0.00 0.00 42.92 42.72 3g5i s ASP 170 CO 0.74 -0.12 1.66 -0.65 0.52 0.00 0.00 175.17 177.32 3g5i h PRO 171 N 5.43 0.53 -0.29 4.34 0.11 -1.46 -2.59 132.00 138.06 3g5i h PRO 171 Ca 0.15 -0.23 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 3g5i h PRO 171 Cb 1.02 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3g5i h PRO 171 CO 0.18 0.78 -0.17 0.93 -0.21 0.00 0.00 178.00 179.51 3g5i h GLU 172 N 0.45 0.64 -0.67 1.05 3.07 -1.91 -0.46 114.58 116.75 3g5i h GLU 172 Ca 0.06 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 3g5i h GLU 172 Cb 0.77 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.64 3g5i h GLU 172 CO 0.06 0.88 0.37 0.00 -1.40 0.00 0.00 179.01 178.92 3g5i h ALA 173 N 0.74 0.86 -0.60 3.43 0.00 -1.89 -0.42 119.26 121.38 3g5i h ALA 173 Ca 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3g5i h ALA 173 Cb 0.70 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3g5i h ALA 173 CO 0.05 0.37 0.05 0.00 0.00 0.00 0.00 179.25 179.72 3g5i h ALA 174 N 1.18 0.97 -0.47 0.00 0.00 -1.22 -1.03 119.26 118.69 3g5i h ALA 174 Ca 0.24 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3g5i h ALA 174 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3g5i h ALA 174 CO -0.04 0.64 -0.07 1.49 0.00 0.00 0.00 179.25 181.27 3g5i h GLU 175 N 0.93 0.82 -0.01 0.00 4.57 -0.59 -1.50 114.58 118.80 3g5i h GLU 175 Ca 0.18 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3g5i h GLU 175 Cb 0.47 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3g5i h GLU 175 CO 0.02 0.87 0.01 0.82 -1.18 0.00 0.00 179.01 179.54 3g5i h ILE 176 N 0.75 1.01 -0.25 2.32 2.04 -0.79 0.15 117.51 122.75 3g5i h ILE 176 Ca 0.13 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.01 3g5i h ILE 176 Cb 0.55 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 3g5i h ILE 176 CO 0.03 0.01 -0.21 0.58 0.00 0.00 0.00 178.15 178.56 3g5i h VAL 177 N 0.00 0.44 0.00 1.67 2.07 -0.82 -2.34 116.25 117.27 3g5i h VAL 177 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 3g5i h VAL 177 Cb 0.01 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3g5i h VAL 177 CO -0.00 0.00 -0.33 -0.26 0.02 0.00 0.00 177.57 177.00 3g5i h PHE 178 N -0.21 0.00 -0.16 1.57 0.04 -1.04 -2.45 116.94 114.69 3g5i h PHE 178 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 3g5i h PHE 178 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3g5i h PHE 178 CO -0.37 0.33 0.00 1.04 -0.60 0.00 0.00 178.31 178.70 3g5i n GLN 179 N -3.81 1.82 0.25 1.51 6.02 0.02 -4.51 117.38 118.66 3g5i n GLN 179 Ca -0.01 -1.22 0.14 0.00 -0.01 0.00 0.00 57.00 55.90 3g5i n GLN 179 Cb 0.41 -1.42 0.46 0.00 1.02 0.00 0.00 30.24 30.70 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 2.54 0.00 0.00 1.08 4.64 -0.91 -3.47 113.55 117.43 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 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3g5i h SER 180 CO 0.00 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3g5i n GLY 181 N 0.45 1.23 3.75 -0.77 0.00 -1.26 -5.06 105.19 103.53 3g5i n GLY 181 Ca 0.02 0.00 -0.38 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 -2.72 5.13 0.22 -0.61 1.01 -1.26 -5.02 121.20 117.94 3g5i s ILE 182 Ca 0.00 0.95 -0.32 0.00 0.00 0.00 0.00 60.65 61.28 3g5i s ILE 182 Cb 0.00 -3.80 -0.14 0.00 0.01 0.00 0.00 42.46 38.53 3g5i s ILE 182 CO 0.00 0.39 1.40 -2.65 0.00 0.00 0.00 174.94 174.08 3g5i n PRO 183 N 3.19 1.95 -5.11 2.79 -0.02 -1.26 -4.77 135.00 131.77 3g5i n PRO 183 Ca -0.09 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.77 3g5i n PRO 183 Cb 0.52 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.04 2.48 -0.12 -1.45 1.01 -1.19 -1.24 120.40 119.92 3g5i s VAL 184 Ca 0.70 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3g5i s VAL 184 Cb -0.68 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3g5i s VAL 184 CO 0.49 0.57 -0.20 -0.69 0.00 0.00 0.00 175.10 175.27 3g5i s VAL 185 N -0.68 1.85 -0.19 2.92 1.01 0.31 -0.05 120.40 125.58 3g5i s VAL 185 Ca 0.11 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3g5i s VAL 185 Cb -0.10 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.66 3g5i s VAL 185 CO -0.00 0.51 -0.18 -0.32 0.00 0.00 0.00 175.10 175.11 3g5i s MET 186 N 0.80 2.79 -0.89 2.72 0.00 0.11 -0.37 119.30 124.46 3g5i s MET 186 Ca -0.09 -0.91 -0.13 0.00 0.00 0.00 0.00 55.69 54.56 3g5i s MET 186 Cb -0.16 -2.60 0.23 0.00 0.00 0.00 0.00 34.83 32.30 3g5i s MET 186 CO -0.00 -0.28 0.85 0.00 0.00 0.00 0.00 175.02 175.58 3g5i s ALA 187 N 1.27 4.22 0.35 4.11 0.00 0.11 -1.74 121.76 130.09 3g5i s ALA 187 Ca 0.02 -3.44 0.01 0.00 0.00 0.00 0.00 51.96 48.56 3g5i s ALA 187 Cb -0.14 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.47 3g5i s ALA 187 CO -0.11 -2.27 0.25 0.41 0.00 0.00 0.00 175.76 174.03 3g5i n GLY 188 N 3.70 1.22 0.27 0.00 0.00 -1.23 -2.09 105.19 107.07 3g5i n GLY 188 Ca 0.16 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.68 0.99 3.38 -1.40 -1.14 115.31 116.46 3g5i h LEU 189 Ca -0.08 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.97 3g5i h LEU 189 Cb 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 3g5i h LEU 189 CO 0.10 0.07 0.34 0.44 0.09 0.00 0.00 178.44 179.48 3g5i h ASP 190 N 0.00 0.44 0.07 -0.43 3.32 -1.86 -0.98 116.42 116.97 3g5i h ASP 190 Ca -0.00 0.06 -0.29 0.00 0.02 0.00 0.00 57.03 56.82 3g5i h ASP 190 Cb 0.17 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3g5i h ASP 190 CO 0.01 0.26 -1.57 1.62 -1.72 0.00 0.00 179.24 177.84 3g5i h VAL 191 N 0.59 0.83 -0.47 -1.35 3.04 -1.56 -3.39 116.25 113.94 3g5i h VAL 191 Ca 0.33 -2.28 -0.01 0.00 -1.01 0.00 0.00 66.70 63.73 3g5i h VAL 191 Cb 0.34 2.42 -0.02 0.00 -2.01 0.00 0.00 31.29 32.01 3g5i h VAL 191 CO -0.26 0.61 0.23 0.71 -1.01 0.00 0.00 177.57 177.85 3g5i h THR 192 N -0.47 1.16 0.00 3.17 1.35 -1.18 0.37 112.91 117.31 3g5i h THR 192 Ca -0.37 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3g5i h THR 192 Cb 1.66 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3g5i h THR 192 CO -0.05 0.18 0.00 0.45 -0.25 0.00 0.00 175.52 175.85 3g5i h HIS 193 N 0.65 0.00 0.00 4.73 -0.00 -1.40 -1.57 115.15 117.56 3g5i h HIS 193 Ca 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.42 3g5i h HIS 193 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 3g5i h HIS 193 CO 0.00 0.00 -0.76 0.87 -0.00 0.00 0.00 177.93 178.05 3g5i h LYS 194 N 0.00 0.00 -2.73 2.45 1.57 -1.13 -3.40 116.57 113.33 3g5i h LYS 194 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 3g5i h LYS 194 Cb 0.28 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 3g5i h LYS 194 CO 0.00 0.44 2.83 0.00 -0.57 0.00 0.00 179.45 182.15 3g5i n ALA 195 N -2.27 7.16 -2.12 3.86 0.00 -0.59 -4.81 120.51 121.75 3g5i n ALA 195 Ca -0.01 -3.55 -0.38 0.00 0.00 0.00 0.00 53.44 49.50 3g5i n ALA 195 Cb 0.76 -3.02 -0.06 0.00 0.00 0.00 0.00 19.45 17.13 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 0.73 4.34 -0.33 0.00 -0.21 -1.26 -1.68 119.66 121.26 3g5i s GLN 196 Ca 0.64 0.92 -0.11 0.00 0.02 0.00 0.00 55.36 56.83 3g5i s GLN 196 Cb 0.20 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 31.08 3g5i s GLN 196 CO -0.08 0.53 0.19 0.42 -2.12 0.00 0.00 175.29 174.24 3g5i s ILE 197 N -1.27 4.85 0.64 1.08 -1.09 0.69 -4.90 121.20 121.21 3g5i s ILE 197 Ca 0.36 -0.39 -0.09 0.00 -2.23 0.00 0.00 60.65 58.30 3g5i s ILE 197 Cb -0.20 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 3g5i s ILE 197 CO 0.22 0.01 1.00 -1.00 -1.23 0.00 0.00 174.94 173.94 3g5i s HIS 198 N 1.65 3.31 0.25 3.97 3.76 -1.26 -1.92 115.29 125.05 3g5i s HIS 198 Ca 0.05 0.87 -0.03 0.00 -0.15 0.00 0.00 55.06 55.80 3g5i s HIS 198 Cb -0.17 -2.89 0.48 0.00 1.11 0.00 0.00 32.58 31.10 3g5i s HIS 198 CO 0.08 -0.98 1.76 -0.39 -0.85 0.00 0.00 174.74 174.37 3g5i h VAL 199 N -0.40 0.76 -0.97 -0.90 -1.51 -1.98 -1.51 116.25 109.74 3g5i h VAL 199 Ca -0.45 -0.21 0.05 0.00 -1.23 0.00 0.00 66.70 64.86 3g5i h VAL 199 Cb 1.25 0.09 -0.06 0.00 -2.13 0.00 0.00 31.29 30.44 3g5i h VAL 199 CO 0.62 0.11 0.63 -0.33 -1.23 0.00 0.00 177.57 177.38 3g5i h GLU 200 N 0.61 1.13 -0.44 5.19 3.07 -1.99 -1.77 114.58 120.38 3g5i h GLU 200 Ca 0.43 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.18 3g5i h GLU 200 Cb 0.57 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 3g5i h GLU 200 CO -0.34 0.75 0.11 -0.44 -1.40 0.00 0.00 179.01 177.69 3g5i h ASP 201 N 1.17 0.67 -0.47 1.42 3.32 -1.65 -0.49 116.42 120.39 3g5i h ASP 201 Ca 0.40 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3g5i h ASP 201 Cb 0.10 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3g5i h ASP 201 CO -0.14 0.73 0.23 0.74 -1.72 0.00 0.00 179.24 179.08 3g5i h THR 202 N 0.58 1.18 -0.51 0.35 2.02 -1.03 -0.89 112.91 114.62 3g5i h THR 202 Ca 0.14 -0.54 -0.10 0.00 0.77 0.00 0.00 66.41 66.68 3g5i h THR 202 Cb 0.32 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3g5i h THR 202 CO 0.00 0.22 -0.08 -0.33 0.37 0.00 0.00 175.52 175.69 3g5i h GLU 203 N 0.73 0.94 0.14 6.66 4.39 -0.98 -1.17 114.58 125.28 3g5i h GLU 203 Ca 0.18 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3g5i h GLU 203 Cb 0.11 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3g5i h GLU 203 CO -0.02 0.98 -0.07 -0.09 -1.16 0.00 0.00 179.01 178.65 3g5i h ARG 204 N 0.84 -0.19 -0.47 2.33 2.43 -0.24 -0.72 114.38 118.37 3g5i h ARG 204 Ca 0.14 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 3g5i h ARG 204 Cb 0.61 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 3g5i h ARG 204 CO 0.04 -0.08 0.18 0.74 -1.51 0.00 0.00 179.97 179.34 3g5i h PHE 205 N -0.25 0.31 -0.33 2.20 0.04 -1.12 -2.19 116.94 115.61 3g5i h PHE 205 Ca -0.02 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 3g5i h PHE 205 Cb 0.19 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3g5i h PHE 205 CO -0.05 0.12 0.09 -0.09 -0.60 0.00 0.00 178.31 177.77 3g5i h ARG 206 N 0.36 0.47 0.00 1.51 2.43 -0.89 -2.21 114.38 116.05 3g5i h ARG 206 Ca 0.22 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3g5i h ARG 206 Cb 0.21 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3g5i h ARG 206 CO -0.22 0.43 0.00 0.00 -1.51 0.00 0.00 179.97 178.68 3g5i n ALA 207 N -2.48 1.82 0.07 2.80 0.00 -0.30 -3.41 120.51 119.00 3g5i n ALA 207 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.44 3g5i n ALA 207 Cb 0.17 -1.32 0.34 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.56 0.00 2.04 -1.25 -3.47 117.51 115.46 3g5i h ILE 208 Ca 0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3g5i h ILE 208 Cb 0.35 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3g5i h ILE 208 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.03 3g5i n GLY 209 N -0.83 0.87 3.24 5.37 0.00 -1.22 -5.04 105.19 107.57 3g5i n GLY 209 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.82 1.41 0.55 1.61 2.20 -1.26 -5.02 114.94 111.60 3g5i s ASN 210 Ca 0.00 -1.11 0.24 0.00 -0.94 0.00 0.00 52.86 51.05 3g5i s ASN 210 Cb 0.00 0.07 1.46 0.00 -2.00 0.00 0.00 41.25 40.78 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 2.74 0.00 0.07 3.55 0.11 -1.99 -1.77 132.00 134.71 3g5i h PRO 211 Ca -0.37 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 3g5i h PRO 211 Cb 1.20 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.32 3g5i h PRO 211 CO 0.63 0.00 -0.46 0.28 -0.21 0.00 0.00 178.00 178.25 3g5i h VAL 212 N 0.00 1.62 -0.00 3.15 2.07 -1.95 -2.32 116.25 118.82 3g5i h VAL 212 Ca 0.10 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 3g5i h VAL 212 Cb 0.45 3.26 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3g5i h VAL 212 CO -0.00 0.66 -0.05 0.77 0.02 0.00 0.00 177.57 178.97 3g5i h SER 213 N -0.68 0.00 -0.11 0.57 4.64 -1.78 0.52 113.55 116.71 3g5i h SER 213 Ca -0.08 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 3g5i h SER 213 Cb 1.34 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3g5i h SER 213 CO 0.07 0.05 -0.01 0.74 -0.87 0.00 0.00 176.83 176.81 3g5i h THR 214 N 0.00 1.27 -0.02 2.95 2.02 -1.37 -1.34 112.91 116.42 3g5i h THR 214 Ca -0.00 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.34 3g5i h THR 214 Cb 0.09 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3g5i h THR 214 CO 0.01 0.25 -0.14 0.40 0.37 0.00 0.00 175.52 176.41 3g5i h ILE 215 N -0.08 0.66 -0.78 3.11 1.08 -0.75 -0.82 117.51 119.92 3g5i h ILE 215 Ca 0.03 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.62 3g5i h ILE 215 Cb 0.39 0.66 -0.08 0.00 -3.07 0.00 0.00 36.82 34.71 3g5i h ILE 215 CO 0.01 0.00 0.39 0.58 -0.69 0.00 0.00 178.15 178.44 3g5i h VAL 216 N -0.22 0.78 -0.43 1.67 2.07 -0.91 0.21 116.25 119.43 3g5i h VAL 216 Ca 0.05 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 3g5i h VAL 216 Cb 0.29 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3g5i h VAL 216 CO -0.15 0.11 -0.20 0.00 0.02 0.00 0.00 177.57 177.35 3g5i h ALA 217 N 1.50 0.84 -0.17 1.67 0.00 -0.81 -0.45 119.26 121.83 3g5i h ALA 217 Ca 0.41 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3g5i h ALA 217 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3g5i h ALA 217 CO -0.32 0.64 -0.57 0.93 0.00 0.00 0.00 179.25 179.93 3g5i h GLU 218 N 0.74 0.54 -0.54 0.00 5.08 -0.41 0.42 114.58 120.39 3g5i h GLU 218 Ca 0.10 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3g5i h GLU 218 Cb 0.73 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3g5i h GLU 218 CO 0.06 0.96 0.34 -0.07 -1.00 0.00 0.00 179.01 179.30 3g5i h LEU 219 N 0.41 0.64 -0.88 1.33 3.38 -0.50 0.25 115.31 119.94 3g5i h LEU 219 Ca 0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3g5i h LEU 219 Cb 1.12 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3g5i h LEU 219 CO 0.11 0.50 0.26 -0.07 0.09 0.00 0.00 178.44 179.32 3g5i h LEU 220 N 0.73 1.00 0.18 1.67 3.38 -0.74 -2.75 115.31 118.78 3g5i h LEU 220 Ca 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3g5i h LEU 220 Cb -0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3g5i h LEU 220 CO -0.04 0.91 -0.41 0.44 0.09 0.00 0.00 178.44 179.43 3g5i h ASP 221 N 1.05 -1.21 0.24 -0.43 3.32 0.27 -2.35 116.42 117.31 3g5i h ASP 221 Ca 0.24 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.42 3g5i h ASP 221 Cb 0.24 0.43 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3g5i h ASP 221 CO -0.02 -0.46 -0.40 0.15 -1.72 0.00 0.00 179.24 176.79 3g5i h PHE 222 N -0.65 -1.11 0.00 4.55 3.57 -0.99 -0.88 116.94 121.43 3g5i h PHE 222 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3g5i h PHE 222 Cb 0.62 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.82 3g5i h PHE 222 CO -0.36 -0.52 0.00 0.34 -2.23 0.00 0.00 178.31 175.53 3g5i n PHE 223 N -5.47 0.00 -0.32 0.41 7.35 -1.04 -1.68 117.46 116.70 3g5i n PHE 223 Ca -0.08 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.81 3g5i n PHE 223 Cb 0.38 -0.15 0.42 0.00 0.35 0.00 0.00 39.48 40.48 3g5i n PHE 223 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3g5i h LEU 224 N 0.00 0.30 -0.83 -2.13 5.85 -1.29 0.20 115.31 117.41 3g5i h LEU 224 Ca 0.00 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3g5i h LEU 224 Cb 0.00 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3g5i h LEU 224 CO 0.00 -0.18 0.42 -0.08 -0.34 0.00 0.00 178.44 178.27 3g5i h GLU 225 N 0.25 1.17 -0.00 1.25 4.57 -0.59 -2.84 114.58 118.39 3g5i h GLU 225 Ca 0.68 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 3g5i h GLU 225 Cb 1.53 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3g5i h GLU 225 CO -0.65 0.88 -0.71 0.66 -1.18 0.00 0.00 179.01 178.01 3g5i n TYR 226 N -4.36 0.00 -2.08 0.92 4.02 0.39 -4.64 117.16 111.42 3g5i n TYR 226 Ca 0.08 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.98 3g5i n TYR 226 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3g5i n TYR 226 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3g5i n HIS 227 N -1.04 0.00 -1.59 -0.72 8.25 0.41 -5.06 115.22 115.48 3g5i n HIS 227 Ca 0.05 -0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3g5i n HIS 227 Cb 0.31 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 3g5i n HIS 227 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3g5i n LYS 228 N 0.08 1.75 -2.32 -0.41 2.85 -1.07 -4.88 118.16 114.16 3g5i n LYS 228 Ca 0.01 0.42 -0.42 0.00 -1.05 0.00 0.00 58.31 57.27 3g5i n LYS 228 Cb 0.75 -3.26 -0.03 0.00 -0.65 0.00 0.00 35.03 31.85 3g5i n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3g5i s ASP 229 N 9.12 6.09 0.31 -5.58 1.01 -1.26 -4.86 116.67 121.49 3g5i s ASP 229 Ca 1.01 0.51 0.17 0.00 0.71 0.00 0.00 52.55 54.94 3g5i s ASP 229 Cb -0.32 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.19 3g5i s ASP 229 CO 0.34 -1.70 1.47 -0.08 0.21 0.00 0.00 175.17 175.41 3g5i h GLU 230 N 11.45 0.00 0.06 8.23 4.57 -1.98 -3.17 114.58 133.75 3g5i h GLU 230 Ca -0.27 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.66 3g5i h GLU 230 Cb 1.11 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 3g5i h GLU 230 CO 1.15 0.40 -1.20 1.57 -1.18 0.00 0.00 179.01 179.74 3g5i h LYS 231 N 0.00 0.13 0.00 1.92 2.10 -2.02 -3.35 116.57 115.35 3g5i h LYS 231 Ca -0.01 -0.22 -0.02 0.00 -2.00 0.00 0.00 60.65 58.40 3g5i h LYS 231 Cb 1.31 0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.72 3g5i h LYS 231 CO 0.05 1.06 -0.11 -1.49 -2.00 0.00 0.00 179.45 176.96 3g5i h TRP 232 N 0.04 0.00 -4.57 0.07 6.55 -1.96 -3.47 115.95 112.60 3g5i h TRP 232 Ca -0.10 0.00 -0.36 0.00 0.95 0.00 0.00 58.89 59.38 3g5i h TRP 232 Cb 1.89 0.00 0.09 0.00 -0.86 0.00 0.00 29.16 30.28 3g5i h TRP 232 CO 0.03 0.11 -0.56 0.41 -1.05 0.00 0.00 178.44 177.38 3g5i n GLY 233 N 0.54 -0.37 3.77 1.49 0.00 -1.22 -4.99 105.19 104.41 3g5i n GLY 233 Ca 0.02 0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.19 3.19 0.13 1.61 0.08 -1.26 -4.96 117.98 113.59 3g5i s PHE 234 Ca 0.38 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.88 3g5i s PHE 234 Cb -0.17 -3.44 -0.07 0.00 -0.57 0.00 0.00 43.02 38.76 3g5i s PHE 234 CO 0.47 -1.27 1.41 0.28 -0.10 0.00 0.00 175.22 176.02 3g5i h VAL 235 N 2.72 1.28 -4.09 -0.44 2.07 -1.96 -3.47 116.25 112.36 3g5i h VAL 235 Ca -0.48 -1.74 -0.34 0.00 0.82 0.00 0.00 66.70 64.96 3g5i h VAL 235 Cb 1.23 1.64 -0.09 0.00 -1.52 0.00 0.00 31.29 32.55 3g5i h VAL 235 CO 0.64 0.57 -0.30 0.61 0.02 0.00 0.00 177.57 179.11 3g5i n GLY 236 N 0.37 2.93 3.70 2.17 0.00 -1.26 -4.81 105.19 108.28 3g5i n GLY 236 Ca -0.04 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.93 3.33 0.38 4.61 0.00 -0.81 -4.61 121.76 121.73 3g5i s ALA 237 Ca 0.29 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.54 3g5i s ALA 237 Cb 0.01 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 3g5i s ALA 237 CO 0.21 -0.46 1.44 -0.35 0.00 0.00 0.00 175.76 176.59 3g5i n PRO 238 N 4.44 2.51 -4.03 0.00 -0.04 -1.26 -0.23 135.00 136.39 3g5i n PRO 238 Ca 0.08 0.88 -0.31 0.00 -0.04 0.00 0.00 63.50 64.11 3g5i n PRO 238 Cb 0.49 -2.59 -0.15 0.00 -0.04 0.00 0.00 33.50 31.21 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 -1.90 4.52 -0.10 1.53 2.96 -0.67 -4.88 118.68 120.14 3g5i s LEU 239 Ca 0.55 -2.02 -0.02 0.00 -0.22 0.00 0.00 54.13 52.42 3g5i s LEU 239 Cb -0.49 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 3g5i s LEU 239 CO 0.63 -0.34 -0.04 0.45 -1.32 0.00 0.00 176.35 175.73 3g5i h HIS 240 N 7.64 0.00 -0.51 5.38 3.86 -1.87 -3.39 115.15 126.26 3g5i h HIS 240 Ca -0.07 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 3g5i h HIS 240 Cb 1.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 3g5i h HIS 240 CO 0.49 0.00 0.26 -0.44 0.86 0.00 0.00 177.93 179.10 3g5i h ASP 241 N -0.87 0.65 0.00 2.45 3.32 -1.94 -2.33 116.42 117.71 3g5i h ASP 241 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3g5i h ASP 241 Cb 0.11 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3g5i h ASP 241 CO 0.00 0.58 0.14 -2.65 -1.72 0.00 0.00 179.24 175.59 3g5i n PRO 242 N -4.62 0.12 0.18 3.56 -0.02 -1.26 -1.63 135.00 131.33 3g5i n PRO 242 Ca 0.02 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 62.16 3g5i n PRO 242 Cb 0.10 -2.03 0.51 0.00 -0.02 0.00 0.00 33.50 32.06 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 0.12 1.09 -0.39 0.00 1.35 -1.51 -1.47 112.91 112.11 3g5i h THR 244 Ca 0.03 -0.31 -0.11 0.00 -0.55 0.00 0.00 66.41 65.47 3g5i h THR 244 Cb 0.20 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 3g5i h THR 244 CO 0.01 0.08 -0.17 0.40 -0.25 0.00 0.00 175.52 175.59 3g5i h ILE 245 N -0.15 1.28 -0.90 6.82 1.08 -1.66 -2.75 117.51 121.23 3g5i h ILE 245 Ca -0.00 -1.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 3g5i h ILE 245 Cb 0.14 1.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 3g5i h ILE 245 CO 0.00 0.43 0.58 0.00 -0.69 0.00 0.00 178.15 178.48 3g5i h ALA 246 N 0.81 1.32 -0.31 1.87 0.00 -1.07 0.32 119.26 122.21 3g5i h ALA 246 Ca 0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3g5i h ALA 246 Cb 0.72 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3g5i h ALA 246 CO 0.05 0.61 -0.19 2.35 0.00 0.00 0.00 179.25 182.08 3g5i h TRP 247 N 1.23 0.62 -0.29 0.00 7.01 -1.13 0.66 115.95 124.05 3g5i h TRP 247 Ca 0.33 -0.12 -0.14 0.00 2.11 0.00 0.00 58.89 61.07 3g5i h TRP 247 Cb -0.11 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 26.78 3g5i h TRP 247 CO 0.00 0.72 -0.39 -0.07 -2.79 0.00 0.00 178.44 175.91 3g5i h LEU 248 N 0.51 0.71 0.02 0.65 3.38 -1.06 -2.67 115.31 116.85 3g5i h LEU 248 Ca 0.08 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3g5i h LEU 248 Cb 0.61 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3g5i h LEU 248 CO 0.04 1.03 -0.28 -0.07 0.09 0.00 0.00 178.44 179.25 3g5i h LEU 249 N 0.56 0.22 -6.22 1.67 3.38 -0.50 -3.42 115.31 111.00 3g5i h LEU 249 Ca 0.05 -0.84 -0.58 0.00 0.09 0.00 0.00 57.88 56.60 3g5i h LEU 249 Cb 0.92 -0.07 -0.39 0.00 0.09 0.00 0.00 40.66 41.21 3g5i h LEU 249 CO 0.08 1.03 -0.99 0.29 0.09 0.00 0.00 178.44 178.94 3g5i n LYS 250 N -4.48 0.67 0.30 1.13 4.76 0.23 -4.97 118.16 115.80 3g5i n LYS 250 Ca -0.10 -3.37 0.19 0.00 -2.87 0.00 0.00 58.31 52.16 3g5i n LYS 250 Cb 0.54 -1.53 1.01 0.00 -1.84 0.00 0.00 35.03 33.22 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 4.75 0.00 0.00 1.97 0.13 -1.63 -0.82 132.00 136.40 3g5i h PRO 251 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 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 0.46 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.28 3g5i h GLU 252 N 0.00 0.00 0.00 0.86 9.09 -1.92 -1.18 114.58 121.43 3g5i h GLU 252 Ca 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.38 3g5i h GLU 252 Cb 0.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.31 3g5i h GLU 252 CO -0.00 0.00 -0.25 -0.07 0.05 0.00 0.00 179.01 178.74 3g5i h LEU 253 N 0.00 0.00 -9.90 3.06 3.38 -1.51 -3.46 115.31 106.87 3g5i h LEU 253 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3g5i h LEU 253 Cb 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3g5i h LEU 253 CO 0.00 0.25 -0.52 -0.36 0.09 0.00 0.00 178.44 177.91 3g5i s PHE 254 N -4.01 3.29 -0.10 1.13 0.08 -0.45 -0.91 117.98 117.01 3g5i s PHE 254 Ca -0.02 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.06 3g5i s PHE 254 Cb 0.13 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.98 3g5i s PHE 254 CO 0.65 0.51 -0.10 0.99 -0.10 0.00 0.00 175.22 177.18 3g5i s THR 255 N -1.78 3.41 0.05 0.64 2.01 -0.29 -4.98 115.64 114.70 3g5i s THR 255 Ca 0.33 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 3g5i s THR 255 Cb -0.10 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 3g5i s THR 255 CO 0.26 0.55 0.04 -0.94 -0.69 0.00 0.00 174.62 173.83 3g5i s SER 256 N -0.17 0.34 0.10 3.53 1.04 -1.26 -0.93 113.70 116.35 3g5i s SER 256 Ca 0.01 -0.81 0.09 0.00 0.48 0.00 0.00 55.95 55.72 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 0.03 -0.59 -0.23 0.68 0.98 0.00 0.00 173.24 174.11 3g5i s VAL 257 N -3.48 1.90 -0.47 5.02 -7.23 -0.17 -4.91 120.40 111.06 3g5i s VAL 257 Ca 0.03 -1.54 -0.18 0.00 -1.81 0.00 0.00 61.98 58.48 3g5i s VAL 257 Cb 0.04 -1.69 0.04 0.00 0.56 0.00 0.00 36.38 35.33 3g5i s VAL 257 CO -0.09 0.06 0.54 -1.61 -0.31 0.00 0.00 175.10 173.70 3g5i s GLU 258 N -1.78 3.12 0.14 4.82 0.41 -1.26 0.06 118.70 124.21 3g5i s GLU 258 Ca 0.09 -0.84 -0.00 0.00 -0.41 0.00 0.00 54.97 53.81 3g5i s GLU 258 Cb -0.10 -4.04 -0.04 0.00 -1.78 0.00 0.00 34.13 28.17 3g5i s GLU 258 CO 0.04 -1.06 0.04 1.03 -0.49 0.00 0.00 175.26 174.83 3g5i s ARG 259 N 2.38 0.98 0.13 1.61 1.81 -0.80 -4.92 118.95 120.15 3g5i s ARG 259 Ca 0.14 -1.47 -0.30 0.00 -1.72 0.00 0.00 55.73 52.38 3g5i s ARG 259 Cb -0.18 0.11 -0.06 0.00 -0.45 0.00 0.00 34.95 34.36 3g5i s ARG 259 CO 0.13 -0.23 1.02 -0.46 -0.68 0.00 0.00 175.30 175.08 3g5i s TRP 260 N -3.95 3.72 -0.09 -0.53 -0.00 -1.26 -2.19 118.94 114.64 3g5i s TRP 260 Ca 0.24 1.70 0.02 0.00 -0.00 0.00 0.00 56.10 58.07 3g5i s TRP 260 Cb 0.07 -3.15 0.01 0.00 -0.00 0.00 0.00 33.47 30.40 3g5i s TRP 260 CO 0.02 -0.15 -0.15 0.08 -0.00 0.00 0.00 176.95 176.76 3g5i s VAL 261 N -0.01 1.38 0.07 5.86 1.01 -1.26 -1.03 120.40 126.42 3g5i s VAL 261 Ca 0.48 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.94 3g5i s VAL 261 Cb -0.26 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3g5i s VAL 261 CO 0.31 0.41 -0.16 -0.83 0.00 0.00 0.00 175.10 174.84 3g5i s GLY 262 N 0.81 1.65 -0.21 4.51 0.00 0.20 -4.88 107.32 109.40 3g5i s GLY 262 Ca -0.11 -1.24 -0.06 0.00 0.00 0.00 0.00 44.72 43.31 3g5i s GLY 262 CO 0.02 -1.16 0.04 0.14 0.00 0.00 0.00 173.10 172.13 3g5i s VAL 263 N -1.03 4.34 -0.05 1.40 1.01 -1.26 0.60 120.40 125.41 3g5i s VAL 263 Ca 0.17 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 3g5i s VAL 263 Cb -0.11 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3g5i s VAL 263 CO 0.08 0.42 1.12 -0.70 0.00 0.00 0.00 175.10 176.02 3g5i s GLU 264 N 0.92 4.41 0.00 2.72 2.56 -0.55 -4.84 118.70 123.93 3g5i s GLU 264 Ca 0.03 1.58 0.00 0.00 0.00 0.00 0.00 54.97 56.58 3g5i s GLU 264 Cb -0.14 -3.51 0.00 0.00 2.00 0.00 0.00 34.13 32.48 3g5i s GLU 264 CO 0.02 -0.34 0.14 0.25 -0.56 0.00 0.00 175.26 174.78 3g5i n THR 265 N 4.42 0.00 0.12 -1.70 -2.24 -1.26 -0.35 114.28 113.27 3g5i n THR 265 Ca 0.09 -0.49 0.02 0.00 -2.27 0.00 0.00 64.05 61.40 3g5i n THR 265 Cb 0.47 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.70 4.28 -1.98 -0.78 6.02 -1.26 -4.94 117.38 118.02 3g5i n GLN 266 Ca 0.00 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.61 3g5i n GLN 266 Cb 0.00 -0.78 0.03 0.00 1.02 0.00 0.00 30.24 30.51 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 -1.63 2.80 0.23 1.08 0.00 -1.26 -4.93 107.32 103.61 3g5i s GLY 267 Ca 0.01 1.10 -0.06 0.00 0.00 0.00 0.00 44.72 45.76 3g5i s GLY 267 CO 0.15 1.54 1.79 1.70 0.00 0.00 0.00 173.10 178.27 3g5i h LYS 268 N 1.22 1.09 -0.00 2.90 3.64 -2.02 -3.34 116.57 120.06 3g5i h LYS 268 Ca -0.50 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 3g5i h LYS 268 Cb 1.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3g5i h LYS 268 CO 0.56 0.91 -0.19 0.66 -2.27 0.00 0.00 179.45 179.13 3g5i n TYR 269 N -4.27 0.00 -0.62 1.91 4.01 -1.26 -4.77 117.16 112.16 3g5i n TYR 269 Ca 0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.83 3g5i n TYR 269 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.54 0.96 -1.68 -0.72 -2.24 -1.25 -4.69 114.28 104.12 3g5i n THR 270 Ca 0.02 -1.06 -0.45 0.00 -2.27 0.00 0.00 64.05 60.29 3g5i n THR 270 Cb 0.13 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.60 2.27 -0.19 -0.78 6.02 -1.25 -1.58 117.38 121.27 3g5i n GLN 271 Ca 0.04 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 3g5i n GLN 271 Cb 0.43 -2.61 0.00 0.00 1.02 0.00 0.00 30.24 29.08 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 3.62 0.79 3.75 1.08 0.00 0.52 -4.74 105.19 110.21 3g5i n GLY 272 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.68 4.31 -0.45 1.61 0.00 -0.61 -4.29 119.30 119.19 3g5i s MET 273 Ca 0.00 2.24 -0.21 0.00 0.00 0.00 0.00 55.69 57.72 3g5i s MET 273 Cb 0.00 -3.11 0.03 0.00 0.00 0.00 0.00 34.83 31.75 3g5i s MET 273 CO 0.00 -0.32 0.66 0.95 0.00 0.00 0.00 175.02 176.31 3g5i s THR 274 N -0.35 4.80 -0.36 10.11 -4.23 -1.26 -1.48 115.64 122.87 3g5i s THR 274 Ca 0.56 0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 60.94 3g5i s THR 274 Cb -0.40 -4.23 0.01 0.00 1.34 0.00 0.00 72.50 69.21 3g5i s THR 274 CO 0.46 -0.64 0.74 -0.69 -0.54 0.00 0.00 174.62 173.95 3g5i s VAL 275 N 2.89 4.78 -0.19 2.29 1.01 0.20 -4.59 120.40 126.78 3g5i s VAL 275 Ca 0.23 0.80 -0.05 0.00 0.00 0.00 0.00 61.98 62.97 3g5i s VAL 275 Cb -0.14 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3g5i s VAL 275 CO 0.19 -0.40 -0.01 -0.69 0.00 0.00 0.00 175.10 174.19 3g5i s VAL 276 N 2.99 3.92 -1.27 2.92 1.01 -1.26 -0.63 120.40 128.07 3g5i s VAL 276 Ca 0.29 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 3g5i s VAL 276 Cb -0.14 -2.76 0.17 0.00 0.00 0.00 0.00 36.38 33.65 3g5i s VAL 276 CO 0.16 0.44 1.80 -0.67 0.00 0.00 0.00 175.10 176.83 3g5i n ASP 277 N 4.15 5.12 -0.18 3.32 2.03 -0.20 -4.76 116.55 126.03 3g5i n ASP 277 Ca -0.17 -3.09 -0.04 0.00 0.52 0.00 0.00 54.79 52.01 3g5i n ASP 277 Cb 0.52 -1.49 0.14 0.00 -0.72 0.00 0.00 41.12 39.57 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 5.97 0.98 -0.57 -0.67 3.20 -1.95 -3.01 116.97 120.93 3g5i h TYR 278 Ca 0.38 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3g5i h TYR 278 Cb 0.67 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3g5i h TYR 278 CO 1.22 0.80 0.00 0.66 -1.64 0.00 0.00 178.16 179.20 3g5i n TYR 279 N -4.27 1.46 -3.40 -3.82 4.01 -1.26 -4.97 117.16 104.91 3g5i n TYR 279 Ca 0.05 -0.66 -0.17 0.00 -0.16 0.00 0.00 57.90 56.96 3g5i n TYR 279 Cb 0.22 -0.29 0.09 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.79 -2.24 0.44 -0.72 4.01 -1.14 -4.92 117.16 113.37 3g5i n TYR 280 Ca 0.25 0.92 0.11 0.00 -0.16 0.00 0.00 57.90 59.02 3g5i n TYR 280 Cb 0.92 -4.89 -0.00 0.00 -0.31 0.00 0.00 39.34 35.06 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 -3.95 0.59 -5.00 7.72 4.77 -1.26 -4.94 117.00 114.92 3g5i n LEU 281 Ca -0.25 0.04 -0.18 0.00 -0.03 0.00 0.00 56.01 55.59 3g5i n LEU 281 Cb 0.66 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 3g5i n LEU 281 CO 0.61 0.00 0.24 0.42 -1.33 0.00 0.00 177.39 177.32 3g5i s THR 282 N -3.26 2.82 -1.00 -5.08 -4.23 -1.26 -4.99 115.64 98.65 3g5i s THR 282 Ca 0.02 -0.89 0.19 0.00 -1.18 0.00 0.00 61.69 59.83 3g5i s THR 282 Cb 0.14 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 71.21 3g5i s THR 282 CO 0.81 0.00 1.62 0.61 -0.54 0.00 0.00 174.62 177.12 3g5i n GLY 283 N -2.04 -1.17 3.73 3.99 0.00 -1.26 -4.96 105.19 103.49 3g5i n GLY 283 Ca 0.09 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.01 7.25 0.10 1.61 0.01 -1.26 -4.98 114.94 114.66 3g5i s ASN 284 Ca 0.09 2.07 -0.31 0.00 -0.71 0.00 0.00 52.86 54.00 3g5i s ASN 284 Cb 0.13 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 39.10 3g5i s ASN 284 CO 0.35 -0.25 1.63 -0.75 -1.51 0.00 0.00 177.10 176.57 3g5i s LYS 285 N -0.16 4.20 0.18 -0.60 2.47 -1.26 -4.67 119.74 119.89 3g5i s LYS 285 Ca 0.51 2.35 -0.33 0.00 -1.56 0.00 0.00 55.97 56.94 3g5i s LYS 285 Cb -0.29 -3.45 -0.15 0.00 -1.46 0.00 0.00 37.83 32.48 3g5i s LYS 285 CO 0.34 -0.69 1.20 -2.30 0.16 0.00 0.00 175.35 174.05 3g5i n PRO 286 N 5.05 1.26 0.00 4.03 -0.02 -1.26 -4.58 135.00 139.47 3g5i n PRO 286 Ca 0.15 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3g5i n PRO 286 Cb 0.40 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.05 1.64 -3.70 2.55 6.94 -0.98 -4.83 115.26 118.93 3g5i n ASN 287 Ca 0.15 -1.73 -0.13 0.00 -0.02 0.00 0.00 54.58 52.84 3g5i n ASN 287 Cb 0.25 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.60 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 -0.73 -0.92 -0.31 -2.53 0.00 -0.93 -3.19 121.76 113.14 3g5i s ALA 288 Ca 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 3g5i s ALA 288 Cb 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 3g5i s ALA 288 CO 0.00 -0.39 0.13 0.99 0.00 0.00 0.00 175.76 176.49 3g5i s THR 289 N -2.12 4.42 -0.24 0.00 2.01 0.93 -1.90 115.64 118.74 3g5i s THR 289 Ca -0.08 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 3g5i s THR 289 Cb -0.02 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 3g5i s THR 289 CO -0.00 0.05 0.04 -0.69 -0.69 0.00 0.00 174.62 173.33 3g5i s VAL 290 N 1.58 4.08 0.15 3.82 1.01 0.11 0.07 120.40 131.22 3g5i s VAL 290 Ca 0.04 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 3g5i s VAL 290 Cb -0.17 -2.90 -0.07 0.00 0.00 0.00 0.00 36.38 33.24 3g5i s VAL 290 CO 0.05 0.36 1.03 -0.04 0.00 0.00 0.00 175.10 176.50 3g5i s MET 291 N 1.55 4.66 0.00 2.72 -1.94 -0.71 -1.00 119.30 124.58 3g5i s MET 291 Ca 0.06 1.58 0.00 0.00 -1.71 0.00 0.00 55.69 55.62 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 0.02 0.17 0.00 1.33 -0.01 0.00 0.00 175.02 176.53 3g5i n VAL 292 N 2.48 0.00 -3.64 -6.03 0.24 -0.11 -4.03 118.33 107.25 3g5i n VAL 292 Ca 0.02 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 3g5i n VAL 292 Cb 0.48 0.70 -0.05 0.00 -1.47 0.00 0.00 33.84 33.49 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 -0.71 -0.29 0.02 -1.34 -1.08 -1.13 -4.49 116.67 107.65 3g5i s ASP 293 Ca 0.00 -0.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.94 3g5i s ASP 293 Cb 0.00 0.45 -0.02 0.00 -1.46 0.00 0.00 42.92 41.89 3g5i s ASP 293 CO 0.00 -0.75 -0.04 0.54 0.52 0.00 0.00 175.17 175.45 3g5i s VAL 294 N -2.98 0.18 -0.78 1.11 0.11 -1.26 -1.14 120.40 115.63 3g5i s VAL 294 Ca -0.02 -0.93 -0.26 0.00 -2.93 0.00 0.00 61.98 57.84 3g5i s VAL 294 Cb 0.00 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.57 3g5i s VAL 294 CO -0.06 -0.47 1.30 -0.62 -3.33 0.00 0.00 175.10 171.92 3g5i s ASP 295 N -1.46 6.21 0.10 3.54 -1.08 -0.08 -4.91 116.67 118.98 3g5i s ASP 295 Ca -0.15 -0.61 -0.22 0.00 -0.52 0.00 0.00 52.55 51.06 3g5i s ASP 295 Cb -0.10 -2.56 -0.11 0.00 -1.46 0.00 0.00 42.92 38.69 3g5i s ASP 295 CO -0.01 -1.79 1.75 -0.09 0.52 0.00 0.00 175.17 175.56 3g5i h ARG 296 N 9.99 0.09 -0.41 4.34 2.43 -1.90 -0.36 114.38 128.56 3g5i h ARG 296 Ca -0.21 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.00 3g5i h ARG 296 Cb 1.04 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 3g5i h ARG 296 CO 1.30 0.06 0.17 0.37 -1.51 0.00 0.00 179.97 180.36 3g5i h GLN 297 N 0.09 0.34 -0.86 0.20 5.75 -1.95 0.41 115.11 119.09 3g5i h GLN 297 Ca 0.03 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.58 3g5i h GLN 297 Cb 0.00 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.41 3g5i h GLN 297 CO -0.02 0.22 0.53 0.78 -2.65 0.00 0.00 178.83 177.69 3g5i h GLY 298 N 0.35 1.30 0.98 2.39 0.00 -1.83 0.43 103.07 106.68 3g5i h GLY 298 Ca 0.18 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3g5i h GLY 298 CO -0.17 0.26 0.17 -2.75 0.00 0.00 0.00 176.54 174.05 3g5i h PHE 299 N 0.96 0.37 -0.74 5.60 3.57 -0.22 0.28 116.94 126.76 3g5i h PHE 299 Ca 0.38 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 3g5i h PHE 299 Cb 0.18 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3g5i h PHE 299 CO -0.03 0.27 0.43 0.28 -2.23 0.00 0.00 178.31 177.03 3g5i h VAL 300 N 0.36 1.22 -0.56 1.41 2.07 -0.33 -2.47 116.25 117.95 3g5i h VAL 300 Ca 0.10 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3g5i h VAL 300 Cb 0.01 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 3g5i h VAL 300 CO -0.02 0.23 0.31 0.44 0.02 0.00 0.00 177.57 178.55 3g5i h ASP 301 N 1.02 0.69 -0.37 0.57 3.32 0.23 -2.37 116.42 119.52 3g5i h ASP 301 Ca 0.26 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.28 3g5i h ASP 301 Cb -0.00 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 3g5i h ASP 301 CO -0.05 0.58 0.06 0.25 -1.72 0.00 0.00 179.24 178.36 3g5i h LEU 302 N 0.75 -0.03 -0.24 1.55 5.85 -0.72 -0.85 115.31 121.63 3g5i h LEU 302 Ca 0.20 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3g5i h LEU 302 Cb 0.04 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3g5i h LEU 302 CO -0.03 0.02 0.13 0.25 -0.34 0.00 0.00 178.44 178.48 3g5i h LEU 303 N 0.17 0.22 -0.31 2.25 5.85 -1.22 -0.43 115.31 121.83 3g5i h LEU 303 Ca 0.18 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 3g5i h LEU 303 Cb 0.21 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3g5i h LEU 303 CO -0.25 0.16 -0.46 0.00 -0.34 0.00 0.00 178.44 177.56 3g5i h ALA 304 N 1.11 0.47 -0.43 1.25 0.00 -1.30 -0.22 119.26 120.14 3g5i h ALA 304 Ca 0.09 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.57 3g5i h ALA 304 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3g5i h ALA 304 CO -0.05 0.62 0.17 0.22 0.00 0.00 0.00 179.25 180.21 3g5i h ASP 305 N 0.63 0.20 1.01 0.00 3.58 -1.11 -2.93 116.42 117.81 3g5i h ASP 305 Ca 0.03 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 3g5i h ASP 305 Cb 1.06 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 3g5i h ASP 305 CO 0.11 0.15 -0.45 0.03 -2.88 0.00 0.00 179.24 176.19 3g5i h ARG 306 N 0.35 0.00 0.00 0.28 2.47 -0.89 -2.49 114.38 114.10 3g5i h ARG 306 Ca 0.19 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.91 3g5i h ARG 306 Cb 0.16 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3g5i h ARG 306 CO -0.18 0.45 -0.03 -0.07 0.56 0.00 0.00 179.97 180.70 3g5i h LEU 307 N 0.00 0.00 -1.91 3.04 3.38 -0.84 -2.00 115.31 116.97 3g5i h LEU 307 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3g5i h LEU 307 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3g5i h LEU 307 CO 0.06 0.03 -0.07 0.11 0.09 0.00 0.00 178.44 178.66 3g5i h LYS 308 N 0.00 0.00 -0.96 1.13 1.57 -1.38 -2.57 116.57 114.36 3g5i h LYS 308 Ca -0.00 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.04 3g5i h LYS 308 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 3g5i h LYS 308 CO 0.00 0.07 0.67 0.35 -0.57 0.00 0.00 179.45 179.97 3g5i h PHE 309 N 0.00 0.21 -0.49 -1.35 3.57 -1.52 -1.03 116.94 116.33 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 0.37 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3g5i h PHE 309 CO 0.00 0.04 0.00 0.66 -2.23 0.00 0.00 178.31 176.78 3g5i n TYR 310 N -4.36 1.01 0.00 0.41 4.01 -0.97 -5.11 117.16 112.15 3g5i n TYR 310 Ca 0.21 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 3g5i n TYR 310 Cb 0.93 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 3g5i n TYR 310 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40