#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d45 n PRO 900 N 0.00 2.19 -2.50 1.61 -0.04 -1.26 -3.78 135.00 131.22 3d45 n PRO 900 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3d45 n PRO 900 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 3d45 n PRO 900 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3d45 s MET 1 N -0.10 4.62 -0.86 0.54 -1.94 -0.79 -4.77 119.30 116.00 3d45 s MET 1 Ca 0.00 1.75 -0.18 0.00 -1.71 0.00 0.00 55.69 55.55 3d45 s MET 1 Cb 0.00 -3.24 0.15 0.00 2.01 0.00 0.00 34.83 33.75 3d45 s MET 1 CO 0.00 0.14 1.00 -1.21 -0.01 0.00 0.00 175.02 174.94 3d45 s GLU 2 N -0.84 3.53 -0.48 2.03 0.41 -1.26 0.61 118.70 122.69 3d45 s GLU 2 Ca 0.47 -1.84 -0.23 0.00 -0.41 0.00 0.00 54.97 52.97 3d45 s GLU 2 Cb -0.30 -4.72 0.03 0.00 -1.78 0.00 0.00 34.13 27.36 3d45 s GLU 2 CO 0.37 -1.65 0.79 0.42 -0.49 0.00 0.00 175.26 174.71 3d45 s ILE 3 N 2.18 4.63 0.08 -1.63 -1.09 0.36 -4.98 121.20 120.75 3d45 s ILE 3 Ca 0.27 0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.92 3d45 s ILE 3 Cb -0.08 -4.36 0.01 0.00 -1.58 0.00 0.00 42.46 36.44 3d45 s ILE 3 CO -0.07 -0.82 0.05 2.30 -1.23 0.00 0.00 174.94 175.18 3d45 n ILE 4 N 6.05 0.00 0.22 2.92 -5.35 -1.26 -2.43 119.36 119.50 3d45 n ILE 4 Ca 0.01 -0.31 -0.15 0.00 -0.27 0.00 0.00 62.75 62.03 3d45 n ILE 4 Cb 0.48 -0.41 -0.08 0.00 -1.74 0.00 0.00 39.64 37.88 3d45 n ILE 4 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3d45 h ARG 5 N 0.00 -0.50 0.00 6.28 2.43 -1.13 -1.39 114.38 120.07 3d45 h ARG 5 Ca -0.05 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3d45 h ARG 5 Cb 0.18 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3d45 h ARG 5 CO 0.08 -0.26 -0.01 0.66 -1.51 0.00 0.00 179.97 178.93 3d45 h SER 6 N -0.67 0.00 -0.03 -3.80 4.64 -1.94 -2.65 113.55 109.11 3d45 h SER 6 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3d45 h SER 6 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3d45 h SER 6 CO 0.09 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 175.60 3d45 n ASN 7 N -3.30 2.14 0.13 4.97 0.23 -1.19 -4.80 115.26 113.44 3d45 n ASN 7 Ca -0.03 -2.13 -0.14 0.00 -0.53 0.00 0.00 54.58 51.75 3d45 n ASN 7 Cb 0.11 -0.07 -0.08 0.00 -2.08 0.00 0.00 39.78 37.66 3d45 n ASN 7 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3d45 h PHE 8 N 0.19 -0.25 -0.18 -2.53 3.57 -0.86 -3.10 116.94 113.78 3d45 h PHE 8 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3d45 h PHE 8 Cb 0.59 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3d45 h PHE 8 CO 0.02 -0.07 0.08 0.87 -2.23 0.00 0.00 178.31 176.99 3d45 h LYS 9 N -0.38 0.26 0.00 1.11 1.57 -1.87 -0.76 116.57 116.50 3d45 h LYS 9 Ca -0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3d45 h LYS 9 Cb 0.30 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3d45 h LYS 9 CO 0.05 0.30 -0.13 0.82 -0.57 0.00 0.00 179.45 179.92 3d45 h ILE 10 N 0.16 0.69 0.00 1.86 2.04 -1.90 -2.91 117.51 117.45 3d45 h ILE 10 Ca 0.06 -0.52 -0.27 0.00 1.00 0.00 0.00 64.86 65.13 3d45 h ILE 10 Cb 0.13 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3d45 h ILE 10 CO -0.01 0.12 -1.83 0.59 0.00 0.00 0.00 178.15 177.03 3d45 n ASN 11 N -3.81 0.61 -0.26 1.72 3.02 -1.00 -4.61 115.26 110.93 3d45 n ASN 11 Ca -0.02 0.28 0.17 0.00 -0.03 0.00 0.00 54.58 54.99 3d45 n ASN 11 Cb 0.23 0.34 0.33 0.00 -0.61 0.00 0.00 39.78 40.06 3d45 n ASN 11 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3d45 n LEU 12 N -2.90 0.06 -0.19 3.41 7.94 -0.32 -0.74 117.00 124.25 3d45 n LEU 12 Ca -0.19 1.32 -0.07 0.00 -1.11 0.00 0.00 56.01 55.96 3d45 n LEU 12 Cb 1.01 -0.55 0.03 0.00 0.53 0.00 0.00 43.42 44.44 3d45 n LEU 12 CO 0.44 -1.39 1.10 1.12 -1.11 0.00 0.00 177.39 177.55 3d45 h HIS 13 N 0.00 0.69 -1.01 1.96 2.07 -1.81 -1.60 115.15 115.44 3d45 h HIS 13 Ca 0.55 0.01 0.24 0.00 -2.85 0.00 0.00 60.37 58.33 3d45 h HIS 13 Cb 1.30 -0.23 -0.11 0.00 2.57 0.00 0.00 27.41 30.94 3d45 h HIS 13 CO -0.24 0.44 0.62 0.87 -3.07 0.00 0.00 177.93 176.55 3d45 h LYS 14 N 0.73 0.53 0.06 5.12 1.57 -1.26 -0.04 116.57 123.28 3d45 h LYS 14 Ca 0.20 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3d45 h LYS 14 Cb -0.08 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.11 3d45 h LYS 14 CO -0.04 0.35 -0.03 0.28 -0.57 0.00 0.00 179.45 179.44 3d45 h VAL 15 N 0.55 1.20 -0.74 0.50 2.07 -1.36 -2.71 116.25 115.76 3d45 h VAL 15 Ca 0.61 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3d45 h VAL 15 Cb 1.25 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 32.75 3d45 h VAL 15 CO -0.39 0.22 0.43 1.88 0.02 0.00 0.00 177.57 179.74 3d45 h TYR 16 N -0.47 0.80 -0.56 1.57 0.99 -0.55 -1.25 116.97 117.50 3d45 h TYR 16 Ca -0.01 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.76 3d45 h TYR 16 Cb 0.42 -0.25 -0.03 0.00 1.00 0.00 0.00 36.73 37.87 3d45 h TYR 16 CO 0.06 0.39 0.37 0.37 -0.00 0.00 0.00 178.16 179.35 3d45 h GLN 17 N 0.79 0.73 0.04 4.88 4.15 -1.09 0.10 115.11 124.71 3d45 h GLN 17 Ca 0.33 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 3d45 h GLN 17 Cb 0.18 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3d45 h GLN 17 CO -0.18 0.48 -0.02 0.00 -1.93 0.00 0.00 178.83 177.19 3d45 h ALA 18 N 1.21 -0.05 -0.54 3.38 0.00 -1.00 0.29 119.26 122.55 3d45 h ALA 18 Ca 0.21 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3d45 h ALA 18 Cb -0.08 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3d45 h ALA 18 CO -0.05 -0.45 0.16 0.82 0.00 0.00 0.00 179.25 179.73 3d45 h ILE 19 N -0.21 0.76 -0.00 0.00 2.04 -1.19 0.28 117.51 119.20 3d45 h ILE 19 Ca -0.01 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 3d45 h ILE 19 Cb 0.19 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3d45 h ILE 19 CO 0.01 0.06 -0.64 -0.08 0.00 0.00 0.00 178.15 177.50 3d45 h GLU 20 N 0.32 0.00 -0.01 2.37 4.22 -0.61 -2.98 114.58 117.89 3d45 h GLU 20 Ca 0.27 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.71 3d45 h GLU 20 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3d45 h GLU 20 CO -0.30 0.64 -0.33 -0.85 -2.18 0.00 0.00 179.01 175.98 3d45 n GLU 21 N -3.78 1.08 -2.20 1.92 0.28 0.99 -4.99 120.64 113.94 3d45 n GLU 21 Ca -0.01 -0.77 -0.31 0.00 -0.16 0.00 0.00 57.16 55.90 3d45 n GLU 21 Cb 0.63 -1.48 -0.01 0.00 1.43 0.00 0.00 31.44 32.00 3d45 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3d45 s ALA 22 N -2.45 3.10 -0.16 -1.84 0.00 0.07 -4.75 121.76 115.72 3d45 s ALA 22 Ca 0.23 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.95 3d45 s ALA 22 Cb 0.19 -3.07 -0.24 0.00 0.00 0.00 0.00 23.12 19.99 3d45 s ALA 22 CO 0.53 -0.42 0.63 -0.44 0.00 0.00 0.00 175.76 176.06 3d45 h ASP 23 N 0.39 0.00 -5.22 0.00 3.32 0.19 -3.48 116.42 111.63 3d45 h ASP 23 Ca -0.46 -0.88 -0.09 0.00 0.02 0.00 0.00 57.03 55.63 3d45 h ASP 23 Cb 1.19 -0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.61 3d45 h ASP 23 CO 0.62 1.12 -0.26 0.72 -1.72 0.00 0.00 179.24 179.73 3d45 s PHE 24 N -2.26 0.27 0.15 4.55 -0.12 -1.11 -4.35 117.98 115.11 3d45 s PHE 24 Ca -0.21 -0.64 0.07 0.00 -0.05 0.00 0.00 56.93 56.10 3d45 s PHE 24 Cb -0.01 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 3d45 s PHE 24 CO 0.67 -0.74 -0.15 -0.59 -0.05 0.00 0.00 175.22 174.36 3d45 s PHE 25 N -3.94 1.57 0.03 3.49 -0.12 -0.72 -0.76 117.98 117.52 3d45 s PHE 25 Ca 0.14 -0.56 0.05 0.00 -0.05 0.00 0.00 56.93 56.52 3d45 s PHE 25 Cb 0.03 -0.78 -0.03 0.00 -0.63 0.00 0.00 43.02 41.60 3d45 s PHE 25 CO -0.02 0.24 -0.11 0.00 -0.05 0.00 0.00 175.22 175.28 3d45 s ALA 26 N -2.43 2.85 0.21 1.99 0.00 0.40 -1.02 121.76 123.76 3d45 s ALA 26 Ca 0.15 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.04 3d45 s ALA 26 Cb -0.03 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 3d45 s ALA 26 CO 0.05 0.60 -0.05 0.96 0.00 0.00 0.00 175.76 177.32 3d45 s ILE 27 N -0.99 1.20 -0.11 0.00 -4.36 -0.02 -0.52 121.20 116.40 3d45 s ILE 27 Ca 0.17 -2.07 -0.30 0.00 -0.26 0.00 0.00 60.65 58.19 3d45 s ILE 27 Cb -0.11 -2.19 0.07 0.00 1.25 0.00 0.00 42.46 41.49 3d45 s ILE 27 CO 0.07 -0.47 0.70 -0.62 0.24 0.00 0.00 174.94 174.87 3d45 s ASP 28 N -3.28 -0.67 -0.01 4.36 2.15 -0.90 -4.53 116.67 113.78 3d45 s ASP 28 Ca 0.25 0.89 0.06 0.00 0.43 0.00 0.00 52.55 54.17 3d45 s ASP 28 Cb 0.04 0.76 -0.03 0.00 -0.30 0.00 0.00 42.92 43.39 3d45 s ASP 28 CO 0.07 -0.51 -0.19 -0.83 -0.17 0.00 0.00 175.17 173.53 3d45 s GLY 29 N -0.80 1.46 -0.15 2.66 0.00 -1.26 0.46 107.32 109.69 3d45 s GLY 29 Ca -0.08 -1.08 -0.08 0.00 0.00 0.00 0.00 44.72 43.48 3d45 s GLY 29 CO 0.08 -0.91 0.12 -0.54 0.00 0.00 0.00 173.10 171.85 3d45 s GLU 30 N -0.90 3.67 0.23 2.90 0.41 0.04 -4.93 118.70 120.13 3d45 s GLU 30 Ca 0.12 -0.18 0.11 0.00 -0.41 0.00 0.00 54.97 54.61 3d45 s GLU 30 Cb -0.10 -3.24 -0.05 0.00 -1.78 0.00 0.00 34.13 28.96 3d45 s GLU 30 CO 0.01 0.60 -0.18 -0.06 -0.49 0.00 0.00 175.26 175.14 3d45 s PHE 31 N -0.52 2.38 0.58 1.61 2.99 -1.26 -1.72 117.98 122.04 3d45 s PHE 31 Ca 0.12 -0.32 0.28 0.00 0.00 0.00 0.00 56.93 57.01 3d45 s PHE 31 Cb -0.12 -1.10 1.58 0.00 0.00 0.00 0.00 43.02 43.38 3d45 s PHE 31 CO 0.02 0.60 2.06 1.03 -0.00 0.00 0.00 175.22 178.93 3d45 h SER 32 N 2.65 0.00 0.00 1.36 0.87 -0.07 -3.46 113.55 114.90 3d45 h SER 32 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3d45 h SER 32 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3d45 h SER 32 CO 0.55 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.46 3d45 n GLY 33 N -1.45 0.69 0.39 5.77 0.00 -1.26 -2.02 105.19 107.30 3d45 n GLY 33 Ca 0.03 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 44.96 3d45 n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d45 n ILE 34 N -0.55 1.40 -4.18 -0.61 2.08 -1.26 -4.83 119.36 111.41 3d45 n ILE 34 Ca 0.00 0.20 -0.20 0.00 0.56 0.00 0.00 62.75 63.31 3d45 n ILE 34 Cb 0.00 -2.10 -0.16 0.00 -0.75 0.00 0.00 39.64 36.63 3d45 n ILE 34 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 3d45 s SER 35 N -5.97 0.93 0.40 4.38 0.01 -1.26 -4.33 113.70 107.85 3d45 s SER 35 Ca -0.20 -0.13 0.10 0.00 1.31 0.00 0.00 55.95 57.03 3d45 s SER 35 Cb 0.03 -0.44 0.90 0.00 0.21 0.00 0.00 66.02 66.72 3d45 s SER 35 CO 0.30 -0.04 1.96 -2.24 0.41 0.00 0.00 173.24 173.63 3d45 h ASP 36 N 7.10 0.51 0.00 2.44 -0.00 -1.95 -3.49 116.42 121.04 3d45 h ASP 36 Ca -0.38 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.66 3d45 h ASP 36 Cb 1.15 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.39 3d45 h ASP 36 CO 0.48 0.31 0.00 -1.20 -0.00 0.00 0.00 179.24 178.83 3d45 n SER 45 N -4.48 0.00 0.00 4.15 7.64 -1.26 -5.15 113.62 114.51 3d45 n SER 45 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3d45 n SER 45 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 3d45 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d45 n GLY 46 N 0.00 1.41 2.24 0.23 0.00 -1.13 -3.62 105.19 104.32 3d45 n GLY 46 Ca 0.00 0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 3d45 n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3d45 n PHE 47 N 0.00 3.09 -2.43 1.61 -0.00 -1.26 -2.51 117.46 115.95 3d45 n PHE 47 Ca 0.00 -2.77 -0.41 0.00 -0.00 0.00 0.00 57.45 54.27 3d45 n PHE 47 Cb 0.00 -1.22 -0.04 0.00 -0.00 0.00 0.00 39.48 38.22 3d45 n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3d45 s ASP 48 N -2.05 7.16 0.36 -2.13 -0.00 -1.24 -5.02 116.67 113.75 3d45 s ASP 48 Ca 0.62 2.16 -0.28 0.00 -0.00 0.00 0.00 52.55 55.05 3d45 s ASP 48 Cb 0.49 -2.60 -0.11 0.00 -0.00 0.00 0.00 42.92 40.70 3d45 s ASP 48 CO 0.01 -0.32 1.42 0.42 -0.00 0.00 0.00 175.17 176.70 3d45 s THR 49 N -0.06 2.30 0.10 -1.27 -4.23 -1.26 -4.73 115.64 106.50 3d45 s THR 49 Ca 0.52 0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 61.25 3d45 s THR 49 Cb -0.31 -3.19 0.11 0.00 1.34 0.00 0.00 72.50 70.45 3d45 s THR 49 CO 0.36 0.07 0.70 -2.65 -0.54 0.00 0.00 174.62 172.56 3d45 n PRO 50 N 0.56 -0.11 -0.27 3.99 -0.01 -1.26 0.20 135.00 138.10 3d45 n PRO 50 Ca 0.01 0.70 0.04 0.00 -0.01 0.00 0.00 63.50 64.23 3d45 n PRO 50 Cb 0.40 -1.04 0.12 0.00 -0.01 0.00 0.00 33.50 32.98 3d45 n PRO 50 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 3d45 h GLU 51 N 0.00 0.03 -0.21 -0.52 4.39 -1.99 0.55 114.58 116.83 3d45 h GLU 51 Ca 0.16 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.72 3d45 h GLU 51 Cb 0.27 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3d45 h GLU 51 CO -0.45 0.02 -0.45 0.93 -1.16 0.00 0.00 179.01 177.90 3d45 h GLU 52 N 0.03 0.52 0.73 2.33 5.08 0.19 -1.31 114.58 122.13 3d45 h GLU 52 Ca 0.40 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3d45 h GLU 52 Cb 0.65 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.92 3d45 h GLU 52 CO -0.77 0.87 -0.35 -0.09 -1.00 0.00 0.00 179.01 177.67 3d45 h ARG 53 N 0.42 -0.94 -0.51 2.33 9.65 0.13 -1.93 114.38 123.52 3d45 h ARG 53 Ca 0.03 0.06 0.08 0.00 -1.10 0.00 0.00 59.98 59.05 3d45 h ARG 53 Cb 0.95 0.21 -0.10 0.00 -1.39 0.00 0.00 29.97 29.65 3d45 h ARG 53 CO 0.08 -0.62 -0.42 -0.92 2.80 0.00 0.00 179.97 180.90 3d45 h TYR 54 N -1.00 -1.22 -0.95 2.20 3.20 0.16 -0.48 116.97 118.88 3d45 h TYR 54 Ca -0.10 0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.92 3d45 h TYR 54 Cb 0.75 0.61 -0.06 0.00 1.54 0.00 0.00 36.73 39.57 3d45 h TYR 54 CO -0.02 -0.42 0.61 0.37 -1.64 0.00 0.00 178.16 177.06 3d45 h GLN 55 N -0.26 1.03 0.13 1.82 5.75 -1.20 0.41 115.11 122.79 3d45 h GLN 55 Ca 0.17 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3d45 h GLN 55 Cb 0.57 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3d45 h GLN 55 CO -0.64 0.68 -0.06 0.87 -2.65 0.00 0.00 178.83 177.03 3d45 h LYS 56 N 1.06 -0.16 -0.20 1.69 1.57 -0.30 0.19 116.57 120.42 3d45 h LYS 56 Ca 0.42 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.21 3d45 h LYS 56 Cb 0.23 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3d45 h LYS 56 CO -0.17 0.12 0.13 -0.07 -0.57 0.00 0.00 179.45 178.89 3d45 h LEU 57 N -0.44 0.24 -0.06 2.94 3.38 -0.86 0.40 115.31 120.91 3d45 h LEU 57 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3d45 h LEU 57 Cb 0.36 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3d45 h LEU 57 CO 0.03 0.18 -0.05 0.50 0.09 0.00 0.00 178.44 179.19 3d45 h LYS 58 N 0.28 0.13 0.00 1.13 3.64 0.12 -1.38 116.57 120.49 3d45 h LYS 58 Ca 0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3d45 h LYS 58 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3d45 h LYS 58 CO -0.01 0.57 0.00 1.17 -2.27 0.00 0.00 179.45 178.90 3d45 n LYS 59 N -4.75 0.08 0.00 1.90 4.81 0.63 -3.81 118.16 117.01 3d45 n LYS 59 Ca -0.07 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3d45 n LYS 59 Cb 0.28 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.83 3d45 n LYS 59 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3d45 n HIS 60 N -1.44 0.00 0.00 5.64 8.25 0.06 -4.87 115.22 122.85 3d45 n HIS 60 Ca 0.06 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3d45 n HIS 60 Cb 0.21 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3d45 n HIS 60 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3d45 n SER 61 N -0.00 2.78 -0.02 0.41 7.64 -0.52 -3.19 113.62 120.71 3d45 n SER 61 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.04 3d45 n SER 61 Cb 0.26 0.41 0.87 0.00 -1.01 0.00 0.00 64.21 64.75 3d45 n SER 61 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 3d45 n MET 62 N -1.09 0.84 0.00 1.43 0.00 -1.21 -2.30 117.12 114.80 3d45 n MET 62 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 57.70 57.81 3d45 n MET 62 Cb 0.14 -1.50 0.77 0.00 0.00 0.00 0.00 33.22 32.63 3d45 n MET 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3d45 n ASP 63 N -1.05 0.17 -4.85 6.12 8.00 -1.26 -4.83 116.55 118.85 3d45 n ASP 63 Ca 0.21 -0.54 -0.33 0.00 0.71 0.00 0.00 54.79 54.83 3d45 n ASP 63 Cb 0.16 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 3d45 n ASP 63 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3d45 s PHE 64 N -2.36 3.46 -0.21 1.24 0.40 -0.97 -0.40 117.98 119.14 3d45 s PHE 64 Ca 0.35 1.16 -0.15 0.00 -0.60 0.00 0.00 56.93 57.68 3d45 s PHE 64 Cb 0.21 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 3d45 s PHE 64 CO 0.43 0.22 0.38 -1.17 0.70 0.00 0.00 175.22 175.78 3d45 s LEU 65 N -2.63 4.15 -0.59 -0.37 2.96 -1.26 -4.81 118.68 116.13 3d45 s LEU 65 Ca 0.49 0.48 -0.28 0.00 -0.22 0.00 0.00 54.13 54.60 3d45 s LEU 65 Cb -0.12 -2.49 0.03 0.00 0.50 0.00 0.00 46.19 44.11 3d45 s LEU 65 CO 0.19 -0.07 1.21 -0.22 -1.32 0.00 0.00 176.35 176.14 3d45 s LEU 66 N 1.32 3.43 0.00 -0.68 2.96 -1.26 0.66 118.68 125.11 3d45 s LEU 66 Ca 0.18 0.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.25 3d45 s LEU 66 Cb -0.15 -3.13 0.04 0.00 0.50 0.00 0.00 46.19 43.45 3d45 s LEU 66 CO 0.08 -1.51 0.66 2.22 -1.32 0.00 0.00 176.35 176.48 3d45 n PHE 67 N 8.55 0.00 -3.68 5.38 1.16 -0.70 -4.75 117.46 123.41 3d45 n PHE 67 Ca 0.08 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.53 3d45 n PHE 67 Cb 0.49 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.23 3d45 n PHE 67 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 3d45 s GLN 68 N -0.63 0.16 -0.21 3.97 0.74 -1.19 -1.35 119.66 121.14 3d45 s GLN 68 Ca 0.07 0.66 -0.02 0.00 0.05 0.00 0.00 55.36 56.12 3d45 s GLN 68 Cb 0.05 -0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.08 3d45 s GLN 68 CO 0.10 -0.25 -0.08 0.12 -0.55 0.00 0.00 175.29 174.63 3d45 s PHE 69 N 2.04 2.93 -0.03 1.67 5.36 0.30 -0.78 117.98 129.48 3d45 s PHE 69 Ca -0.02 -1.17 -0.16 0.00 -0.96 0.00 0.00 56.93 54.62 3d45 s PHE 69 Cb -0.11 -2.06 -0.05 0.00 -0.34 0.00 0.00 43.02 40.45 3d45 s PHE 69 CO -0.08 -0.63 0.43 0.20 -1.46 0.00 0.00 175.22 173.68 3d45 s GLY 70 N 1.42 2.47 -0.13 13.12 0.00 0.17 -1.19 107.32 123.17 3d45 s GLY 70 Ca 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 3d45 s GLY 70 CO -0.06 0.33 0.18 -2.27 0.00 0.00 0.00 173.10 171.29 3d45 s LEU 71 N -0.62 -0.06 -0.22 0.66 2.96 -0.70 -2.12 118.68 118.58 3d45 s LEU 71 Ca 0.24 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 3d45 s LEU 71 Cb -0.16 0.28 0.05 0.00 0.50 0.00 0.00 46.19 46.86 3d45 s LEU 71 CO 0.13 -0.28 -0.09 0.00 -1.32 0.00 0.00 176.35 174.78 3d45 s ALA 73 N 1.34 3.47 -0.11 0.00 0.00 0.17 -0.45 121.76 126.17 3d45 s ALA 73 Ca -0.04 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.00 3d45 s ALA 73 Cb -0.18 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.18 3d45 s ALA 73 CO -0.07 0.13 -0.22 -0.06 0.00 0.00 0.00 175.76 175.54 3d45 s PHE 74 N -0.08 2.61 -0.11 0.00 0.40 0.06 -1.55 117.98 119.30 3d45 s PHE 74 Ca 0.32 -1.07 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 3d45 s PHE 74 Cb -0.18 -1.74 0.02 0.00 0.51 0.00 0.00 43.02 41.62 3d45 s PHE 74 CO 0.17 -0.44 -0.14 0.21 0.70 0.00 0.00 175.22 175.72 3d45 s LYS 75 N 0.44 2.14 -0.24 0.44 2.20 -0.55 0.90 119.74 125.07 3d45 s LYS 75 Ca -0.16 -0.52 -0.23 0.00 -0.36 0.00 0.00 55.97 54.70 3d45 s LYS 75 Cb -0.17 -1.87 -0.01 0.00 -1.51 0.00 0.00 37.83 34.26 3d45 s LYS 75 CO 0.07 -0.11 0.74 -0.47 -0.36 0.00 0.00 175.35 175.22 3d45 s TYR 76 N 1.13 3.32 -0.25 4.03 5.04 -1.26 -0.82 117.35 128.54 3d45 s TYR 76 Ca -0.04 1.01 -0.20 0.00 -2.44 0.00 0.00 57.07 55.40 3d45 s TYR 76 Cb -0.14 -2.95 -0.02 0.00 0.35 0.00 0.00 41.96 39.20 3d45 s TYR 76 CO -0.04 -0.34 0.63 0.34 -1.34 0.00 0.00 175.55 174.81 3d45 s ASP 77 N 1.36 6.60 0.48 4.32 -1.08 -0.49 -4.98 116.67 122.88 3d45 s ASP 77 Ca 0.31 0.73 0.27 0.00 -0.52 0.00 0.00 52.55 53.35 3d45 s ASP 77 Cb -0.15 -2.34 0.73 0.00 -1.46 0.00 0.00 42.92 39.69 3d45 s ASP 77 CO 0.08 -0.36 1.75 0.45 0.52 0.00 0.00 175.17 177.61 3d45 h HIS 78 N 7.83 0.00 0.29 -5.34 3.86 -1.96 -3.04 115.15 116.79 3d45 h HIS 78 Ca -0.27 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.92 3d45 h HIS 78 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 3d45 h HIS 78 CO 0.75 0.01 -0.14 1.79 0.86 0.00 0.00 177.93 181.20 3d45 h THR 79 N 0.00 0.00 -0.12 2.45 1.35 -1.94 -3.35 112.91 111.31 3d45 h THR 79 Ca -0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3d45 h THR 79 Cb 0.82 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 3d45 h THR 79 CO 0.00 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.74 3d45 n ASP 80 N -4.70 0.69 -1.53 5.36 10.43 -1.26 -4.88 116.55 120.66 3d45 n ASP 80 Ca -0.05 -1.90 -0.11 0.00 2.57 0.00 0.00 54.79 55.30 3d45 n ASP 80 Cb 0.15 -0.08 -0.04 0.00 1.84 0.00 0.00 41.12 43.00 3d45 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3d45 n SER 81 N -0.17 -3.14 -4.80 -2.24 7.64 -1.15 -4.93 113.62 104.83 3d45 n SER 81 Ca 0.07 0.27 -0.23 0.00 1.01 0.00 0.00 58.87 59.99 3d45 n SER 81 Cb 0.12 -2.94 -0.06 0.00 -1.01 0.00 0.00 64.21 60.33 3d45 n SER 81 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3d45 s LYS 82 N -3.33 2.34 -0.15 1.43 -2.85 -1.20 -4.85 119.74 111.12 3d45 s LYS 82 Ca 0.00 -1.74 -0.06 0.00 -1.00 0.00 0.00 55.97 53.17 3d45 s LYS 82 Cb 0.00 -2.13 -0.04 0.00 -2.06 0.00 0.00 37.83 33.60 3d45 s LYS 82 CO 0.00 -0.17 0.04 -1.01 0.10 0.00 0.00 175.35 174.31 3d45 s HIS 83 N -2.56 3.22 -0.04 1.78 3.76 -1.07 -1.39 115.29 118.98 3d45 s HIS 83 Ca 0.43 0.06 -0.11 0.00 -0.15 0.00 0.00 55.06 55.29 3d45 s HIS 83 Cb 0.01 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.66 3d45 s HIS 83 CO 0.24 0.22 0.30 0.08 -0.85 0.00 0.00 174.74 174.73 3d45 s VAL 84 N 0.04 5.23 0.27 -0.90 1.01 0.00 -1.37 120.40 124.68 3d45 s VAL 84 Ca 0.04 0.55 0.11 0.00 0.00 0.00 0.00 61.98 62.68 3d45 s VAL 84 Cb -0.12 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3d45 s VAL 84 CO 0.01 0.57 -0.15 0.42 0.00 0.00 0.00 175.10 175.95 3d45 s THR 85 N -1.09 2.72 -0.12 3.92 -4.23 0.57 -1.49 115.64 115.93 3d45 s THR 85 Ca 0.21 -2.28 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 3d45 s THR 85 Cb -0.15 -2.43 0.06 0.00 1.34 0.00 0.00 72.50 71.32 3d45 s THR 85 CO 0.10 -0.39 0.25 -0.54 -0.54 0.00 0.00 174.62 173.50 3d45 s LYS 86 N -3.53 0.16 0.19 3.99 1.02 -0.60 -1.93 119.74 119.04 3d45 s LYS 86 Ca 0.30 0.66 0.10 0.00 0.02 0.00 0.00 55.97 57.05 3d45 s LYS 86 Cb -0.05 -0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 3d45 s LYS 86 CO 0.16 -0.25 -0.20 -1.54 -0.92 0.00 0.00 175.35 172.61 3d45 s SER 87 N 2.02 2.99 0.02 2.83 1.04 -1.26 0.45 113.70 121.79 3d45 s SER 87 Ca -0.02 -0.90 -0.00 0.00 0.48 0.00 0.00 55.95 55.51 3d45 s SER 87 Cb -0.11 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3d45 s SER 87 CO -0.08 0.01 -0.03 -0.36 0.98 0.00 0.00 173.24 173.76 3d45 s PHE 88 N -2.07 0.25 -0.33 5.02 0.40 0.10 -1.89 117.98 119.47 3d45 s PHE 88 Ca 0.19 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 3d45 s PHE 88 Cb -0.06 -0.18 0.08 0.00 0.51 0.00 0.00 43.02 43.37 3d45 s PHE 88 CO 0.09 -0.19 0.04 -0.80 0.70 0.00 0.00 175.22 175.06 3d45 s ASN 89 N -1.43 4.84 -0.27 1.36 0.02 0.20 -1.72 114.94 117.95 3d45 s ASN 89 Ca -0.16 -1.74 -0.19 0.00 -1.02 0.00 0.00 52.86 49.76 3d45 s ASN 89 Cb -0.10 -1.68 -0.02 0.00 0.02 0.00 0.00 41.25 39.47 3d45 s ASN 89 CO -0.01 -0.35 0.55 -0.36 0.02 0.00 0.00 177.10 176.95 3d45 s PHE 90 N 1.09 3.26 -0.37 2.20 0.40 -0.34 -0.49 117.98 123.74 3d45 s PHE 90 Ca 0.02 0.64 -0.23 0.00 -0.60 0.00 0.00 56.93 56.75 3d45 s PHE 90 Cb -0.20 -2.79 0.01 0.00 0.51 0.00 0.00 43.02 40.55 3d45 s PHE 90 CO -0.05 -0.33 0.80 0.71 0.70 0.00 0.00 175.22 177.06 3d45 s TYR 91 N 2.39 3.11 -0.08 0.36 1.51 -1.02 -0.53 117.35 123.08 3d45 s TYR 91 Ca 0.22 0.58 0.01 0.00 -1.01 0.00 0.00 57.07 56.87 3d45 s TYR 91 Cb -0.15 -3.43 -0.03 0.00 -0.11 0.00 0.00 41.96 38.24 3d45 s TYR 91 CO 0.10 -0.75 -0.10 0.14 -1.11 0.00 0.00 175.55 173.83 3d45 s VAL 92 N 3.15 3.42 -0.15 0.71 -7.23 -0.45 0.49 120.40 120.33 3d45 s VAL 92 Ca 0.32 -0.57 -0.06 0.00 -1.81 0.00 0.00 61.98 59.86 3d45 s VAL 92 Cb -0.13 -2.39 0.07 0.00 0.56 0.00 0.00 36.38 34.48 3d45 s VAL 92 CO 0.17 0.57 0.32 0.12 -0.31 0.00 0.00 175.10 175.98 3d45 s PHE 93 N -0.49 -0.52 -0.91 2.82 5.36 0.37 -4.51 117.98 120.11 3d45 s PHE 93 Ca 0.07 1.11 -0.07 0.00 -0.96 0.00 0.00 56.93 57.08 3d45 s PHE 93 Cb -0.12 0.11 -0.06 0.00 -0.34 0.00 0.00 43.02 42.61 3d45 s PHE 93 CO 0.02 -0.36 2.10 -0.35 -1.46 0.00 0.00 175.22 175.17 3d45 n PRO 94 N 4.93 2.05 -1.69 10.12 -0.04 -1.26 -3.51 135.00 145.60 3d45 n PRO 94 Ca -0.14 -1.50 -0.43 0.00 -0.04 0.00 0.00 63.50 61.39 3d45 n PRO 94 Cb 0.51 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.44 3d45 n PRO 94 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3d45 n LYS 95 N 4.46 2.65 -1.66 0.54 4.81 -1.26 -4.61 118.16 123.09 3d45 n LYS 95 Ca 0.45 0.97 -0.40 0.00 -0.87 0.00 0.00 58.31 58.46 3d45 n LYS 95 Cb 0.16 -2.84 0.03 0.00 0.02 0.00 0.00 35.03 32.39 3d45 n LYS 95 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3d45 n PRO 96 N 5.58 1.49 -0.07 1.64 -0.04 -1.26 -4.86 135.00 137.49 3d45 n PRO 96 Ca 0.19 0.54 -0.14 0.00 -0.04 0.00 0.00 63.50 64.05 3d45 n PRO 96 Cb 0.36 -2.28 -0.13 0.00 -0.04 0.00 0.00 33.50 31.41 3d45 n PRO 96 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3d45 h PHE 97 N 1.45 0.00 -2.31 0.54 3.57 -1.88 -3.49 116.94 114.82 3d45 h PHE 97 Ca -0.48 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 3d45 h PHE 97 Cb 1.32 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.06 3d45 h PHE 97 CO 0.44 0.99 0.00 -1.13 -2.23 0.00 0.00 178.31 176.38 3d45 n SER 98 N -4.61 0.70 0.11 0.41 3.41 -1.26 -5.00 113.62 107.37 3d45 n SER 98 Ca -0.10 -0.61 0.12 0.00 -0.26 0.00 0.00 58.87 58.02 3d45 n SER 98 Cb 0.48 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.57 3d45 n SER 98 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3d45 h ARG 99 N 0.00 0.00 0.00 4.33 2.47 -2.01 -3.35 114.38 115.82 3d45 h ARG 99 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3d45 h ARG 99 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3d45 h ARG 99 CO 0.00 0.00 -1.59 -1.13 0.56 0.00 0.00 179.97 177.81 3d45 n SER 100 N -2.47 1.28 -4.68 7.04 3.41 -1.26 -4.99 113.62 111.95 3d45 n SER 100 Ca 0.03 -0.12 -0.41 0.00 -0.26 0.00 0.00 58.87 58.11 3d45 n SER 100 Cb 0.49 1.63 0.01 0.00 -0.26 0.00 0.00 64.21 66.08 3d45 n SER 100 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3d45 n SER 101 N -1.96 2.22 -4.78 4.04 2.88 -1.26 -4.91 113.62 109.85 3d45 n SER 101 Ca -0.02 1.09 -0.41 0.00 -1.33 0.00 0.00 58.87 58.20 3d45 n SER 101 Cb 0.39 -1.46 -0.00 0.00 -0.75 0.00 0.00 64.21 62.39 3d45 n SER 101 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3d45 s PRO 102 N -2.17 4.10 -0.61 -1.46 0.02 -1.26 -4.81 135.00 128.81 3d45 s PRO 102 Ca 0.62 2.59 -0.15 0.00 0.02 0.00 0.00 61.00 64.08 3d45 s PRO 102 Cb -0.52 -2.97 0.15 0.00 0.02 0.00 0.00 34.50 31.19 3d45 s PRO 102 CO 0.57 -0.56 0.55 0.34 -0.33 0.00 0.00 177.00 177.58 3d45 s ASP 103 N -0.10 6.29 0.23 2.53 3.68 -1.26 -4.74 116.67 123.30 3d45 s ASP 103 Ca 0.53 -2.03 -0.30 0.00 2.13 0.00 0.00 52.55 52.89 3d45 s ASP 103 Cb -0.47 -2.19 -0.10 0.00 -1.45 0.00 0.00 42.92 38.71 3d45 s ASP 103 CO 0.63 -0.77 1.38 -0.69 0.13 0.00 0.00 175.17 175.85 3d45 s VAL 104 N 1.22 2.87 -0.33 1.11 1.01 -1.26 -5.00 120.40 120.01 3d45 s VAL 104 Ca 0.07 0.73 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 3d45 s VAL 104 Cb -0.25 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.73 3d45 s VAL 104 CO -0.00 0.12 0.06 -0.54 0.00 0.00 0.00 175.10 174.74 3d45 s LYS 105 N -0.35 2.29 0.35 2.72 3.01 -1.26 -5.09 119.74 121.42 3d45 s LYS 105 Ca 0.58 -1.43 0.07 0.00 -1.01 0.00 0.00 55.97 54.18 3d45 s LYS 105 Cb -0.40 -3.31 -0.02 0.00 -1.01 0.00 0.00 37.83 33.09 3d45 s LYS 105 CO 0.42 -0.76 0.35 -0.59 0.51 0.00 0.00 175.35 175.28 3d45 s PHE 106 N 1.22 2.91 0.01 3.18 -0.12 -1.26 -5.02 117.98 118.90 3d45 s PHE 106 Ca -0.01 -0.31 0.02 0.00 -0.05 0.00 0.00 56.93 56.58 3d45 s PHE 106 Cb -0.20 -1.90 -0.04 0.00 -0.63 0.00 0.00 43.02 40.25 3d45 s PHE 106 CO -0.02 0.09 -0.00 0.08 -0.05 0.00 0.00 175.22 175.32 3d45 s VAL 107 N -2.30 4.13 -0.07 -2.49 1.01 0.46 -5.01 120.40 116.12 3d45 s VAL 107 Ca 0.43 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3d45 s VAL 107 Cb -0.06 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 3d45 s VAL 107 CO 0.28 0.35 -0.16 0.00 0.00 0.00 0.00 175.10 175.57 3d45 s GLN 109 N -0.32 3.58 0.24 0.00 0.74 -0.86 -4.99 119.66 118.06 3d45 s GLN 109 Ca 0.02 -0.58 -0.06 0.00 0.05 0.00 0.00 55.36 54.80 3d45 s GLN 109 Cb -0.13 -3.74 0.43 0.00 1.10 0.00 0.00 33.01 30.68 3d45 s GLN 109 CO 0.03 -0.38 1.67 0.77 -0.55 0.00 0.00 175.29 176.83 3d45 h SER 110 N 8.44 -0.12 0.51 6.67 0.02 -1.98 -0.31 113.55 126.78 3d45 h SER 110 Ca -0.32 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3d45 h SER 110 Cb 1.16 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.96 3d45 h SER 110 CO 0.61 -0.09 -0.24 0.77 -1.14 0.00 0.00 176.83 176.74 3d45 h SER 111 N 0.20 -0.58 -0.55 3.07 4.64 -1.96 0.41 113.55 118.78 3d45 h SER 111 Ca 0.40 -0.04 0.11 0.00 -0.47 0.00 0.00 61.79 61.80 3d45 h SER 111 Cb 0.69 0.15 -0.10 0.00 -0.31 0.00 0.00 62.40 62.83 3d45 h SER 111 CO -0.55 -0.32 -0.08 0.28 -0.87 0.00 0.00 176.83 175.29 3d45 h SER 112 N -0.82 -0.40 0.20 4.97 0.02 -1.53 1.46 113.55 117.45 3d45 h SER 112 Ca -0.07 0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3d45 h SER 112 Cb 0.58 0.30 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 3d45 h SER 112 CO 0.11 -0.15 -0.39 0.40 -1.14 0.00 0.00 176.83 175.66 3d45 h ILE 113 N 0.04 0.20 -0.71 3.27 1.08 -0.95 -0.76 117.51 119.68 3d45 h ILE 113 Ca 0.27 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.81 3d45 h ILE 113 Cb 0.43 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 34.33 3d45 h ILE 113 CO -0.53 0.00 0.47 -0.78 -0.69 0.00 0.00 178.15 176.62 3d45 h ASP 114 N -0.68 0.64 0.66 1.72 3.58 0.18 0.40 116.42 122.92 3d45 h ASP 114 Ca 0.01 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 3d45 h ASP 114 Cb 0.67 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.59 3d45 h ASP 114 CO -0.18 0.41 -0.35 0.15 -2.88 0.00 0.00 179.24 176.39 3d45 h PHE 115 N 0.72 -0.92 -0.82 0.28 3.57 0.25 -1.97 116.94 118.05 3d45 h PHE 115 Ca 0.31 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.96 3d45 h PHE 115 Cb 0.27 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 3d45 h PHE 115 CO -0.00 -0.55 0.55 -0.07 -2.23 0.00 0.00 178.31 176.00 3d45 h LEU 116 N -0.94 0.40 0.25 0.59 3.38 -0.18 -0.27 115.31 118.54 3d45 h LEU 116 Ca -0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3d45 h LEU 116 Cb 0.74 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3d45 h LEU 116 CO 0.12 0.19 -0.28 0.00 0.09 0.00 0.00 178.44 178.56 3d45 h ALA 117 N 1.63 -0.57 0.00 1.53 0.00 -0.61 -1.61 119.26 119.63 3d45 h ALA 117 Ca 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3d45 h ALA 117 Cb 0.98 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3d45 h ALA 117 CO -0.14 -0.86 0.14 -1.13 0.00 0.00 0.00 179.25 177.26 3d45 n SER 118 N -5.40 0.00 -0.83 0.00 3.41 -0.13 -1.76 113.62 108.90 3d45 n SER 118 Ca -0.08 0.35 0.07 0.00 -0.26 0.00 0.00 58.87 58.94 3d45 n SER 118 Cb 0.31 -0.35 0.21 0.00 -0.26 0.00 0.00 64.21 64.12 3d45 n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d45 n GLN 119 N -1.34 2.96 -0.98 4.33 1.13 -0.64 -4.96 117.38 117.87 3d45 n GLN 119 Ca 0.00 -2.33 0.00 0.00 -1.94 0.00 0.00 57.00 52.73 3d45 n GLN 119 Cb 0.14 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.02 3d45 n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d45 n GLY 120 N 0.46 0.51 3.69 1.08 0.00 -0.72 -4.51 105.19 105.70 3d45 n GLY 120 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3d45 n GLY 120 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3d45 n PHE 121 N -2.63 1.54 -3.95 1.61 7.35 -1.01 -4.96 117.46 115.40 3d45 n PHE 121 Ca 0.00 0.42 -0.32 0.00 -0.76 0.00 0.00 57.45 56.80 3d45 n PHE 121 Cb 0.07 -2.22 -0.14 0.00 0.35 0.00 0.00 39.48 37.54 3d45 n PHE 121 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3d45 s ASP 122 N -1.37 4.69 0.40 -2.13 -1.08 -1.26 -4.84 116.67 111.08 3d45 s ASP 122 Ca 0.81 -2.50 0.17 0.00 -0.52 0.00 0.00 52.55 50.51 3d45 s ASP 122 Cb -0.39 -1.67 0.84 0.00 -1.46 0.00 0.00 42.92 40.25 3d45 s ASP 122 CO 0.42 -0.34 1.84 -0.26 0.52 0.00 0.00 175.17 177.35 3d45 h PHE 123 N 7.22 0.00 -1.00 -5.34 -1.00 -1.99 -1.82 116.94 113.02 3d45 h PHE 123 Ca -0.06 0.00 0.16 0.00 2.81 0.00 0.00 57.97 60.88 3d45 h PHE 123 Cb 0.97 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.44 3d45 h PHE 123 CO 0.51 0.33 0.62 -0.91 -1.61 0.00 0.00 178.31 177.25 3d45 h ASN 124 N 0.00 0.83 0.03 2.17 4.21 -1.97 0.18 115.58 121.03 3d45 h ASN 124 Ca -0.00 0.08 -0.04 0.00 1.21 0.00 0.00 56.30 57.55 3d45 h ASN 124 Cb 0.67 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 3d45 h ASN 124 CO 0.04 0.36 -0.09 0.11 -1.29 0.00 0.00 177.43 176.56 3d45 h LYS 125 N 0.85 0.17 0.00 0.81 1.57 -1.71 0.40 116.57 118.65 3d45 h LYS 125 Ca 0.55 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.28 3d45 h LYS 125 Cb 0.75 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 3d45 h LYS 125 CO -0.33 0.27 -0.09 0.28 -0.57 0.00 0.00 179.45 179.01 3d45 h VAL 126 N 0.16 1.58 0.00 0.50 2.07 -0.86 -1.74 116.25 117.96 3d45 h VAL 126 Ca 0.04 -2.22 -0.11 0.00 0.82 0.00 0.00 66.70 65.23 3d45 h VAL 126 Cb 0.27 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 3d45 h VAL 126 CO 0.01 0.53 -0.78 -0.26 0.02 0.00 0.00 177.57 177.10 3d45 h PHE 127 N -1.00 0.00 0.00 1.57 0.05 -0.69 -2.38 116.94 114.50 3d45 h PHE 127 Ca -0.02 0.00 -0.36 0.00 3.82 0.00 0.00 57.97 61.41 3d45 h PHE 127 Cb 0.93 0.00 -0.06 0.00 2.00 0.00 0.00 35.95 38.82 3d45 h PHE 127 CO 0.24 0.45 -2.25 0.00 -0.18 0.00 0.00 178.31 176.56 3d45 n SER 129 N -2.86 1.14 -4.77 0.00 7.64 -1.09 -5.03 113.62 108.64 3d45 n SER 129 Ca -0.31 -1.82 -0.37 0.00 1.01 0.00 0.00 58.87 57.38 3d45 n SER 129 Cb 1.12 -0.09 -0.00 0.00 -1.01 0.00 0.00 64.21 64.23 3d45 n SER 129 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3d45 s GLY 130 N -0.93 2.75 0.14 0.23 0.00 -0.67 -0.69 107.32 108.15 3d45 s GLY 130 Ca 0.05 0.93 -0.30 0.00 0.00 0.00 0.00 44.72 45.39 3d45 s GLY 130 CO 0.00 1.36 0.99 -0.42 0.00 0.00 0.00 173.10 175.03 3d45 s ILE 131 N -1.58 4.32 1.05 0.90 1.01 0.18 -4.36 121.20 122.71 3d45 s ILE 131 Ca 0.66 1.99 -0.18 0.00 0.00 0.00 0.00 60.65 63.12 3d45 s ILE 131 Cb -0.28 -4.27 0.26 0.00 0.01 0.00 0.00 42.46 38.18 3d45 s ILE 131 CO 0.33 0.33 0.97 -2.65 0.00 0.00 0.00 174.94 173.93 3d45 n PRO 132 N 2.54 -2.72 -3.60 2.79 -0.02 -1.23 -0.48 135.00 132.28 3d45 n PRO 132 Ca 0.02 -1.54 -0.03 0.00 -2.02 0.00 0.00 63.50 59.92 3d45 n PRO 132 Cb 0.48 -1.40 -0.02 0.00 -0.02 0.00 0.00 33.50 32.54 3d45 n PRO 132 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3d45 s TYR 133 N -2.79 -0.12 0.01 6.00 -0.85 -1.18 -0.82 117.35 117.61 3d45 s TYR 133 Ca 0.62 0.05 -0.01 0.00 -0.52 0.00 0.00 57.07 57.21 3d45 s TYR 133 Cb -0.06 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.79 3d45 s TYR 133 CO 0.47 -0.23 0.01 -0.51 -1.52 0.00 0.00 175.55 173.77 3d45 s LEU 134 N -2.33 2.06 0.00 -3.49 1.43 -1.17 -4.78 118.68 110.40 3d45 s LEU 134 Ca 0.10 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 3d45 s LEU 134 Cb 0.00 0.19 0.13 0.00 0.03 0.00 0.00 46.19 46.54 3d45 s LEU 134 CO -0.04 -0.25 0.78 -0.46 0.23 0.00 0.00 176.35 176.61 3d45 n ASN 135 N 1.88 0.44 -0.07 2.29 2.04 -1.26 -4.69 115.26 115.88 3d45 n ASN 135 Ca -0.21 -1.51 -0.11 0.00 -0.44 0.00 0.00 54.58 52.31 3d45 n ASN 135 Cb 0.56 -0.56 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 3d45 n ASN 135 CO 0.00 0.00 0.00 -0.61 -0.44 0.00 0.00 177.26 176.21 3d45 h GLN 136 N 0.00 -0.37 0.71 -3.83 5.75 -1.25 -2.67 115.11 113.45 3d45 h GLN 136 Ca -0.26 0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.24 3d45 h GLN 136 Cb 0.80 0.08 0.01 0.00 1.07 0.00 0.00 27.48 29.44 3d45 h GLN 136 CO 0.22 -0.25 -0.34 0.93 -2.65 0.00 0.00 178.83 176.74 3d45 h GLU 137 N -0.38 -0.92 -1.00 1.69 4.39 -1.95 -1.68 114.58 114.73 3d45 h GLU 137 Ca 0.12 0.06 0.31 0.00 0.34 0.00 0.00 59.36 60.19 3d45 h GLU 137 Cb 0.59 0.21 -0.18 0.00 -0.10 0.00 0.00 28.75 29.27 3d45 h GLU 137 CO -0.50 -0.61 0.15 0.39 -1.16 0.00 0.00 179.01 177.28 3d45 n GLU 138 N -4.57 -0.07 0.30 2.33 1.02 -1.23 -0.17 120.64 118.25 3d45 n GLU 138 Ca -0.12 1.47 -0.12 0.00 -0.02 0.00 0.00 57.16 58.36 3d45 n GLU 138 Cb 0.38 -2.40 -0.06 0.00 -0.02 0.00 0.00 31.44 29.34 3d45 n GLU 138 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3d45 h GLU 139 N 0.00 -0.77 -0.13 3.49 4.81 -1.44 -2.67 114.58 117.88 3d45 h GLU 139 Ca 0.67 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.94 3d45 h GLU 139 Cb 1.50 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 3d45 h GLU 139 CO -0.90 -0.51 0.04 -0.09 -0.73 0.00 0.00 179.01 176.82 3d45 h ARG 140 N -1.03 0.19 -0.89 1.92 2.43 -0.19 0.57 114.38 117.40 3d45 h ARG 140 Ca -0.08 -0.04 0.22 0.00 -0.81 0.00 0.00 59.98 59.27 3d45 h ARG 140 Cb 0.61 -0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 29.97 3d45 h ARG 140 CO 0.13 0.32 0.02 -0.56 -1.51 0.00 0.00 179.97 178.38 3d45 h GLN 141 N 0.03 0.06 0.00 0.20 -0.00 -0.72 0.48 115.11 115.16 3d45 h GLN 141 Ca 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 3d45 h GLN 141 Cb 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 3d45 h GLN 141 CO -0.00 0.04 0.00 -0.11 -0.00 0.00 0.00 178.83 178.76 3d45 n LEU 142 N -5.42 0.42 -1.75 0.06 7.94 -0.20 -2.29 117.00 115.77 3d45 n LEU 142 Ca 0.19 0.55 -0.15 0.00 -1.11 0.00 0.00 56.01 55.49 3d45 n LEU 142 Cb 0.62 -0.43 0.11 0.00 0.53 0.00 0.00 43.42 44.25 3d45 n LEU 142 CO -0.01 -0.15 0.98 -1.14 -1.11 0.00 0.00 177.39 175.96 3d45 n ARG 143 N -1.91 1.76 0.00 1.96 0.63 0.18 -2.49 116.66 116.80 3d45 n ARG 143 Ca 0.06 -1.82 0.00 0.00 -0.92 0.00 0.00 57.85 55.17 3d45 n ARG 143 Cb 0.36 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.55 3d45 n ARG 143 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3d45 n GLU 144 N -0.48 0.00 -0.00 -0.14 0.00 -1.06 -4.83 120.64 114.12 3d45 n GLU 144 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.52 3d45 n GLU 144 Cb 1.20 -0.05 -0.00 0.00 0.00 0.00 0.00 31.44 32.58 3d45 n GLU 144 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3d45 h GLN 145 N 0.00 -0.01 -5.10 5.31 4.20 -1.54 -2.57 115.11 115.39 3d45 h GLN 145 Ca 0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 3d45 h GLN 145 Cb 0.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.91 3d45 h GLN 145 CO 0.00 -0.01 0.85 0.34 -0.67 0.00 0.00 178.83 179.35 3d45 n PHE 146 N -2.63 1.40 -3.39 2.96 7.35 -1.04 -4.72 117.46 117.40 3d45 n PHE 146 Ca -0.00 -0.81 0.02 0.00 -0.76 0.00 0.00 57.45 55.89 3d45 n PHE 146 Cb 0.01 -2.17 -0.04 0.00 0.35 0.00 0.00 39.48 37.63 3d45 n PHE 146 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3d45 s ASP 147 N 7.22 -0.46 -0.44 -2.13 3.68 -0.97 -4.74 116.67 118.83 3d45 s ASP 147 Ca 0.73 0.64 -0.31 0.00 2.13 0.00 0.00 52.55 55.74 3d45 s ASP 147 Cb 0.02 1.49 0.04 0.00 -1.45 0.00 0.00 42.92 43.03 3d45 s ASP 147 CO 0.19 -0.09 0.64 -0.62 0.13 0.00 0.00 175.17 175.43 3d45 n GLU 148 N 4.73 -2.10 -0.10 4.34 1.02 -1.26 -4.99 120.64 122.27 3d45 n GLU 148 Ca -0.10 1.68 -0.22 0.00 -0.02 0.00 0.00 57.16 58.50 3d45 n GLU 148 Cb 0.54 -3.38 -0.12 0.00 -0.02 0.00 0.00 31.44 28.46 3d45 n GLU 148 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3d45 n TYR 250 N -0.24 0.35 1.33 -0.32 4.19 -1.26 -5.11 117.16 116.10 3d45 n TYR 250 Ca -0.01 0.10 0.14 0.00 3.31 0.00 0.00 57.90 61.43 3d45 n TYR 250 Cb 0.60 -1.04 0.57 0.00 0.49 0.00 0.00 39.34 39.97 3d45 n TYR 250 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 3d45 n THR 251 N -3.69 0.00 0.00 2.97 5.66 -1.26 -4.76 114.28 113.20 3d45 n THR 251 Ca -0.44 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 3d45 n THR 251 Cb 0.94 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 3d45 n THR 251 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3d45 n LYS 252 N -1.04 0.00 0.25 1.09 4.81 -1.26 -3.99 118.16 118.02 3d45 n LYS 252 Ca 0.13 0.03 0.17 0.00 -0.87 0.00 0.00 58.31 57.77 3d45 n LYS 252 Cb 0.29 -0.77 0.90 0.00 0.02 0.00 0.00 35.03 35.47 3d45 n LYS 252 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3d45 h GLU 253 N 0.00 0.00 -0.72 1.64 4.57 -2.00 0.94 114.58 119.01 3d45 h GLU 253 Ca 0.00 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 58.39 3d45 h GLU 253 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 3d45 h GLU 253 CO 0.00 0.00 0.77 1.96 -1.18 0.00 0.00 179.01 180.56 3d45 h GLN 254 N 0.00 0.00 -0.12 1.92 4.20 -1.93 1.21 115.11 120.39 3d45 h GLN 254 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3d45 h GLN 254 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3d45 h GLN 254 CO -0.00 0.00 0.00 -1.91 -0.67 0.00 0.00 178.83 176.25 3d45 n GLU 255 N -3.58 2.10 0.01 1.46 4.07 0.32 -3.63 120.64 121.40 3d45 n GLU 255 Ca 0.15 -1.90 0.11 0.00 -0.06 0.00 0.00 57.16 55.46 3d45 n GLU 255 Cb 1.02 -1.43 -0.09 0.00 -0.06 0.00 0.00 31.44 30.88 3d45 n GLU 255 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3d45 n GLU 256 N 1.25 0.38 -0.06 5.31 -0.58 0.40 -3.80 120.64 123.54 3d45 n GLU 256 Ca 0.14 -0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.68 3d45 n GLU 256 Cb 0.54 -1.55 -0.06 0.00 -0.57 0.00 0.00 31.44 29.80 3d45 n GLU 256 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3d45 h LEU 257 N 0.00 0.33 -0.05 -4.62 5.85 -1.22 -2.68 115.31 112.92 3d45 h LEU 257 Ca 0.00 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3d45 h LEU 257 Cb 0.79 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3d45 h LEU 257 CO 0.00 0.66 0.00 0.59 -0.34 0.00 0.00 178.44 179.35 3d45 n ASN 258 N -4.64 0.04 -0.04 1.25 3.02 -1.24 -2.38 115.26 111.25 3d45 n ASN 258 Ca -0.05 0.51 -0.10 0.00 -0.03 0.00 0.00 54.58 54.91 3d45 n ASN 258 Cb 0.29 -0.52 -0.15 0.00 -0.61 0.00 0.00 39.78 38.80 3d45 n ASN 258 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3d45 n ASP 259 N -1.54 0.70 0.09 6.41 10.43 -1.16 -3.44 116.55 128.04 3d45 n ASP 259 Ca 0.02 0.28 -0.22 0.00 2.57 0.00 0.00 54.79 57.44 3d45 n ASP 259 Cb 0.12 0.20 -0.13 0.00 1.84 0.00 0.00 41.12 43.15 3d45 n ASP 259 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3d45 h ALA 260 N 0.94 0.00 -0.00 2.24 0.00 -1.13 -3.01 119.26 118.30 3d45 h ALA 260 Ca -0.37 -0.76 -0.15 0.00 0.00 0.00 0.00 54.91 53.62 3d45 h ALA 260 Cb 2.08 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.96 3d45 h ALA 260 CO 0.06 0.68 -0.72 -0.39 0.00 0.00 0.00 179.25 178.88 3d45 h VAL 261 N 0.29 1.51 0.00 0.00 -1.51 -1.70 -3.09 116.25 111.74 3d45 h VAL 261 Ca -0.18 -2.45 0.00 0.00 -1.23 0.00 0.00 66.70 62.84 3d45 h VAL 261 Cb 1.90 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 33.38 3d45 h VAL 261 CO 0.24 0.70 0.00 0.61 -1.23 0.00 0.00 177.57 177.89 3d45 n GLY 262 N 0.54 1.97 0.27 5.19 0.00 -1.14 -1.12 105.19 110.90 3d45 n GLY 262 Ca -0.01 0.49 0.08 0.00 0.00 0.00 0.00 46.02 46.58 3d45 n GLY 262 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3d45 h PHE 263 N 0.00 0.07 -0.86 1.61 3.57 -1.28 -2.02 116.94 118.04 3d45 h PHE 263 Ca 0.00 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.75 3d45 h PHE 263 Cb 0.00 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3d45 h PHE 263 CO 0.00 0.04 0.64 0.77 -2.23 0.00 0.00 178.31 177.53 3d45 h SER 264 N 0.07 0.00 -0.86 0.41 0.02 -1.37 0.66 113.55 112.49 3d45 h SER 264 Ca 0.03 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 3d45 h SER 264 Cb 0.02 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 3d45 h SER 264 CO -0.00 0.00 0.51 0.03 -1.14 0.00 0.00 176.83 176.22 3d45 h ARG 265 N 0.00 0.84 -0.54 3.45 3.08 -1.51 0.90 114.38 120.60 3d45 h ARG 265 Ca 0.41 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.32 3d45 h ARG 265 Cb 1.68 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 3d45 h ARG 265 CO -0.00 0.55 -0.02 0.28 -1.07 0.00 0.00 179.97 179.71 3d45 h VAL 266 N 0.86 1.26 -0.18 2.04 2.07 -1.05 -1.10 116.25 120.15 3d45 h VAL 266 Ca 0.41 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 3d45 h VAL 266 Cb 0.34 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3d45 h VAL 266 CO -0.23 0.39 0.11 0.40 0.02 0.00 0.00 177.57 178.26 3d45 h ILE 267 N 0.85 1.07 -0.68 4.57 1.08 -1.35 -1.74 117.51 121.30 3d45 h ILE 267 Ca 0.15 -0.16 0.14 0.00 -0.39 0.00 0.00 64.86 64.60 3d45 h ILE 267 Cb 0.53 0.86 -0.13 0.00 -3.07 0.00 0.00 36.82 35.01 3d45 h ILE 267 CO 0.03 0.07 -0.12 0.45 -0.69 0.00 0.00 178.15 177.89 3d45 h HIS 268 N 0.22 -0.27 -0.08 1.37 3.86 -0.58 0.96 115.15 120.63 3d45 h HIS 268 Ca 0.06 0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 3d45 h HIS 268 Cb 0.01 0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3d45 h HIS 268 CO -0.05 -0.27 -0.00 0.00 0.86 0.00 0.00 177.93 178.47 3d45 h ALA 269 N 1.67 0.07 0.15 2.45 0.00 -0.77 -0.91 119.26 121.92 3d45 h ALA 269 Ca 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3d45 h ALA 269 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3d45 h ALA 269 CO -0.67 -0.47 -0.07 0.82 0.00 0.00 0.00 179.25 178.86 3d45 h ILE 270 N 0.03 0.91 -0.99 0.00 2.04 -0.28 -1.99 117.51 117.23 3d45 h ILE 270 Ca 0.04 -0.25 0.27 0.00 1.00 0.00 0.00 64.86 65.91 3d45 h ILE 270 Cb 0.04 1.07 -0.13 0.00 -0.74 0.00 0.00 36.82 37.06 3d45 h ILE 270 CO -0.07 0.06 0.55 0.00 0.00 0.00 0.00 178.15 178.70 3d45 h ALA 271 N 0.50 1.78 0.00 1.87 0.00 -0.72 -2.82 119.26 119.87 3d45 h ALA 271 Ca -0.02 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3d45 h ALA 271 Cb 0.26 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3d45 h ALA 271 CO 0.03 -0.38 -1.18 -0.91 0.00 0.00 0.00 179.25 176.81 3d45 h ASN 272 N 0.47 0.00 0.00 0.00 2.35 -0.84 -3.33 115.58 114.23 3d45 h ASN 272 Ca 0.66 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.41 3d45 h ASN 272 Cb 1.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.71 3d45 h ASN 272 CO -0.53 0.60 0.07 0.77 -1.65 0.00 0.00 177.43 176.69 3d45 h SER 273 N 0.00 0.00 -0.62 5.81 4.64 -1.10 -3.45 113.55 118.83 3d45 h SER 273 Ca -0.12 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.07 3d45 h SER 273 Cb 1.57 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.61 3d45 h SER 273 CO 0.06 0.00 -0.11 0.61 -0.87 0.00 0.00 176.83 176.51 3d45 n GLY 274 N -1.17 0.59 3.92 -0.77 0.00 -1.25 -4.96 105.19 101.54 3d45 n GLY 274 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 3d45 n GLY 274 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d45 s LYS 275 N -2.13 2.70 0.14 1.61 1.02 -1.26 -4.82 119.74 117.00 3d45 s LYS 275 Ca 0.00 -0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 3d45 s LYS 275 Cb 0.00 -2.22 -0.07 0.00 -0.52 0.00 0.00 37.83 35.02 3d45 s LYS 275 CO 0.00 -0.89 1.15 -1.17 -0.92 0.00 0.00 175.35 173.52 3d45 s LEU 276 N -5.10 4.44 -0.19 3.17 2.96 -1.26 -4.44 118.68 118.26 3d45 s LEU 276 Ca 0.56 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 56.56 3d45 s LEU 276 Cb -0.11 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 43.00 3d45 s LEU 276 CO 0.46 -0.34 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.29 3d45 s VAL 277 N 0.27 2.34 -0.13 1.68 1.01 0.30 -1.75 120.40 124.11 3d45 s VAL 277 Ca 0.53 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 3d45 s VAL 277 Cb -0.30 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3d45 s VAL 277 CO 0.33 0.50 0.05 -0.69 0.00 0.00 0.00 175.10 175.29 3d45 s VAL 278 N 1.33 4.69 0.34 2.92 1.01 -0.18 -1.66 120.40 128.84 3d45 s VAL 278 Ca 0.05 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3d45 s VAL 278 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3d45 s VAL 278 CO -0.11 0.55 0.13 -0.83 0.00 0.00 0.00 175.10 174.84 3d45 s GLY 279 N -0.35 2.24 -0.24 4.51 0.00 -0.59 -0.84 107.32 112.04 3d45 s GLY 279 Ca 0.08 -1.64 0.02 0.00 0.00 0.00 0.00 44.72 43.19 3d45 s GLY 279 CO 0.02 -1.70 -0.11 -1.58 0.00 0.00 0.00 173.10 169.73 3d45 s HIS 280 N -3.43 2.97 -1.22 1.90 2.46 -1.26 -0.23 115.29 116.48 3d45 s HIS 280 Ca 0.32 -2.08 -0.07 0.00 0.47 0.00 0.00 55.06 53.70 3d45 s HIS 280 Cb 0.05 -1.83 -0.01 0.00 -0.13 0.00 0.00 32.58 30.65 3d45 s HIS 280 CO 0.16 -0.84 0.76 -1.71 -2.47 0.00 0.00 174.74 170.65 3d45 n ASN 281 N 4.52 -3.23 -0.99 9.88 2.85 -1.26 -4.90 115.26 122.12 3d45 n ASN 281 Ca -0.14 -0.85 0.10 0.00 -0.11 0.00 0.00 54.58 53.57 3d45 n ASN 281 Cb 0.44 -4.07 0.26 0.00 1.24 0.00 0.00 39.78 37.64 3d45 n ASN 281 CO 0.00 0.00 0.00 1.15 -2.11 0.00 0.00 177.26 176.30 3d45 n MET 282 N -4.07 2.26 -0.26 1.20 0.00 -1.26 -4.50 117.12 110.48 3d45 n MET 282 Ca -0.20 -1.94 0.08 0.00 0.00 0.00 0.00 57.70 55.63 3d45 n MET 282 Cb 0.64 -1.45 0.21 0.00 0.00 0.00 0.00 33.22 32.63 3d45 n MET 282 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3d45 h LEU 283 N 3.38 0.06 -0.26 3.17 6.46 -1.92 0.12 115.31 126.32 3d45 h LEU 283 Ca 0.00 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 3d45 h LEU 283 Cb 0.76 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 3d45 h LEU 283 CO 0.00 -0.04 0.05 -0.07 -0.62 0.00 0.00 178.44 177.76 3d45 h LEU 284 N 0.29 0.40 -0.62 2.25 3.38 -1.97 -0.97 115.31 118.07 3d45 h LEU 284 Ca 0.45 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.26 3d45 h LEU 284 Cb 0.80 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 3d45 h LEU 284 CO -0.53 0.55 0.25 0.44 0.09 0.00 0.00 178.44 179.24 3d45 h ASP 285 N 0.24 0.28 0.02 -0.43 3.32 -1.46 -0.65 116.42 117.74 3d45 h ASP 285 Ca 0.08 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3d45 h ASP 285 Cb 0.31 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3d45 h ASP 285 CO 0.00 0.17 -0.01 0.58 -1.72 0.00 0.00 179.24 178.26 3d45 h VAL 286 N 0.45 1.17 -0.09 -1.35 2.07 -0.78 -2.03 116.25 115.69 3d45 h VAL 286 Ca 0.31 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3d45 h VAL 286 Cb 0.35 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3d45 h VAL 286 CO -0.28 0.15 -0.27 0.24 0.02 0.00 0.00 177.57 177.43 3d45 h MET 287 N -0.28 -0.26 -0.66 1.57 2.86 -0.55 -2.07 114.93 115.54 3d45 h MET 287 Ca -0.00 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.80 3d45 h MET 287 Cb 0.27 0.06 -0.11 0.00 0.06 0.00 0.00 31.60 31.87 3d45 h MET 287 CO 0.00 -0.18 -0.01 0.45 1.06 0.00 0.00 176.91 178.24 3d45 h HIS 288 N -0.27 -0.07 -0.88 -0.22 -0.00 -1.20 -1.31 115.15 111.20 3d45 h HIS 288 Ca 0.02 0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.50 3d45 h HIS 288 Cb 0.33 0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 27.81 3d45 h HIS 288 CO -0.54 -0.19 0.55 1.15 -0.00 0.00 0.00 177.93 178.89 3d45 h THR 289 N 0.10 1.04 0.14 2.45 2.02 -0.85 0.52 112.91 118.33 3d45 h THR 289 Ca 0.35 -0.34 -0.29 0.00 0.77 0.00 0.00 66.41 66.89 3d45 h THR 289 Cb 0.58 -0.03 0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3d45 h THR 289 CO -0.58 0.18 -1.26 0.16 0.37 0.00 0.00 175.52 174.39 3d45 h ILE 290 N 0.99 1.34 -0.15 3.11 3.07 -0.81 -1.91 117.51 123.15 3d45 h ILE 290 Ca 0.38 -2.64 0.05 0.00 1.55 0.00 0.00 64.86 64.20 3d45 h ILE 290 Cb 0.18 2.79 -0.06 0.00 -0.27 0.00 0.00 36.82 39.45 3d45 h ILE 290 CO -0.17 0.79 -0.30 -0.74 -1.05 0.00 0.00 178.15 176.68 3d45 h HIS 291 N 0.20 -0.81 -0.10 0.16 2.76 -0.45 0.40 115.15 117.31 3d45 h HIS 291 Ca -0.18 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 57.86 3d45 h HIS 291 Cb 1.94 0.38 -0.01 0.00 1.55 0.00 0.00 27.41 31.27 3d45 h HIS 291 CO 0.10 -0.38 -0.66 1.96 -1.30 0.00 0.00 177.93 177.65 3d45 h GLN 292 N -0.36 0.42 0.00 5.26 4.20 -0.07 -3.36 115.11 121.19 3d45 h GLN 292 Ca 0.10 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3d45 h GLN 292 Cb 0.52 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3d45 h GLN 292 CO -0.35 0.93 -0.62 1.19 -0.67 0.00 0.00 178.83 179.31 3d45 n PHE 293 N -3.88 0.00 0.01 2.96 3.01 -0.72 -4.35 117.46 114.50 3d45 n PHE 293 Ca -0.04 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.40 3d45 n PHE 293 Cb 0.66 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 40.08 3d45 n PHE 293 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3d45 n TYR 294 N -1.34 0.00 0.00 1.38 4.02 0.13 -3.75 117.16 117.59 3d45 n TYR 294 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3d45 n TYR 294 Cb 0.11 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 3d45 n TYR 294 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3d45 n PRO 296 N -0.04 0.00 -1.94 0.00 -0.01 -1.26 -3.91 135.00 127.84 3d45 n PRO 296 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 63.50 63.07 3d45 n PRO 296 Cb 0.00 -0.77 -0.02 0.00 -0.01 0.00 0.00 33.50 32.70 3d45 n PRO 296 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 3d45 s LEU 297 N 0.16 4.37 1.00 2.45 1.02 -1.26 -4.95 118.68 121.47 3d45 s LEU 297 Ca 0.47 2.69 -0.12 0.00 0.02 0.00 0.00 54.13 57.19 3d45 s LEU 297 Cb -0.65 -3.61 0.19 0.00 0.02 0.00 0.00 46.19 42.13 3d45 s LEU 297 CO 0.30 -0.79 1.09 -2.16 0.02 0.00 0.00 176.35 174.81 3d45 s PRO 298 N 0.25 0.39 0.46 1.29 0.04 -1.26 -4.92 135.00 131.24 3d45 s PRO 298 Ca 0.65 0.59 0.19 0.00 0.04 0.00 0.00 61.00 62.46 3d45 s PRO 298 Cb -0.44 -1.73 1.10 0.00 0.04 0.00 0.00 34.50 33.48 3d45 s PRO 298 CO 0.39 -2.78 1.98 0.00 0.04 0.00 0.00 177.00 176.63 3d45 h ALA 299 N -1.93 1.47 -4.04 8.56 0.00 -1.97 -3.45 119.26 117.90 3d45 h ALA 299 Ca -0.55 -0.18 -0.69 0.00 0.00 0.00 0.00 54.91 53.49 3d45 h ALA 299 Cb 1.32 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.85 3d45 h ALA 299 CO 0.56 0.25 -0.86 -0.51 0.00 0.00 0.00 179.25 178.69 3d45 s ASP 300 N -6.67 3.36 0.16 0.00 1.01 -1.26 -4.98 116.67 108.30 3d45 s ASP 300 Ca -0.03 -0.65 -0.14 0.00 0.71 0.00 0.00 52.55 52.44 3d45 s ASP 300 Cb 0.14 -0.31 0.06 0.00 1.01 0.00 0.00 42.92 43.82 3d45 s ASP 300 CO 0.66 0.21 1.76 0.25 0.21 0.00 0.00 175.17 178.26 3d45 h LEU 301 N 4.25 0.69 -0.10 1.23 5.85 -1.90 -2.36 115.31 122.97 3d45 h LEU 301 Ca -0.49 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.16 3d45 h LEU 301 Cb 1.16 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 3d45 h LEU 301 CO 0.42 0.61 -0.30 0.78 -0.34 0.00 0.00 178.44 179.61 3d45 h ASN 302 N 0.72 -0.91 -1.10 1.25 2.35 -1.98 0.22 115.58 116.12 3d45 h ASN 302 Ca 0.18 0.13 0.30 0.00 -0.55 0.00 0.00 56.30 56.37 3d45 h ASN 302 Cb 0.10 0.39 -0.08 0.00 0.05 0.00 0.00 38.32 38.77 3d45 h ASN 302 CO -0.03 -0.35 0.73 -0.33 -1.65 0.00 0.00 177.43 175.81 3d45 h GLU 303 N -0.39 0.24 0.09 0.81 5.08 -1.93 -2.49 114.58 115.99 3d45 h GLU 303 Ca 0.09 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.14 3d45 h GLU 303 Cb 0.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3d45 h GLU 303 CO -0.32 0.16 -1.48 0.35 -1.00 0.00 0.00 179.01 176.72 3d45 h PHE 304 N 0.25 0.33 -0.23 4.33 3.57 -0.13 -2.94 116.94 122.11 3d45 h PHE 304 Ca 0.60 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 3d45 h PHE 304 Cb 1.80 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 3d45 h PHE 304 CO -0.00 1.28 0.14 0.87 -2.23 0.00 0.00 178.31 178.37 3d45 h LYS 305 N 0.05 0.32 -0.19 1.11 1.57 -0.52 0.48 116.57 119.39 3d45 h LYS 305 Ca -0.22 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3d45 h LYS 305 Cb 1.98 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 34.17 3d45 h LYS 305 CO 0.15 0.25 -0.43 0.93 -0.57 0.00 0.00 179.45 179.77 3d45 h GLU 306 N 0.29 -0.39 -1.00 3.15 4.39 -1.59 -2.36 114.58 117.07 3d45 h GLU 306 Ca 0.08 0.03 0.18 0.00 0.34 0.00 0.00 59.36 60.00 3d45 h GLU 306 Cb 0.02 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.65 3d45 h GLU 306 CO -0.02 -0.26 0.61 1.98 -1.16 0.00 0.00 179.01 180.17 3d45 h MET 307 N -0.40 0.73 -0.15 2.33 4.05 -1.25 -2.50 114.93 117.73 3d45 h MET 307 Ca 0.04 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3d45 h MET 307 Cb 0.51 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 3d45 h MET 307 CO -0.39 0.48 0.05 0.00 0.23 0.00 0.00 176.91 177.28 3d45 h ALA 308 N 1.63 0.20 -0.03 0.39 0.00 0.45 -2.92 119.26 118.97 3d45 h ALA 308 Ca 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3d45 h ALA 308 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3d45 h ALA 308 CO -0.35 -0.19 0.00 0.44 0.00 0.00 0.00 179.25 179.15 3d45 n ILE 309 N -4.85 0.04 -0.08 0.00 -5.35 -0.95 -1.21 119.36 106.95 3d45 n ILE 309 Ca -0.05 -0.04 -0.06 0.00 -0.27 0.00 0.00 62.75 62.34 3d45 n ILE 309 Cb 0.14 0.01 -0.16 0.00 -1.74 0.00 0.00 39.64 37.89 3d45 n ILE 309 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d45 h VAL 311 N 0.00 1.27 -3.42 0.00 2.07 -1.45 -3.43 116.25 111.28 3d45 h VAL 311 Ca -0.44 -1.74 -0.67 0.00 0.82 0.00 0.00 66.70 64.67 3d45 h VAL 311 Cb 2.00 2.30 -0.35 0.00 -1.52 0.00 0.00 31.29 33.72 3d45 h VAL 311 CO 0.02 0.40 -0.83 -0.36 0.02 0.00 0.00 177.57 176.82 3d45 s PHE 312 N -2.59 3.00 0.25 1.57 0.40 -0.35 -3.50 117.98 116.76 3d45 s PHE 312 Ca -0.14 -1.90 0.14 0.00 -0.60 0.00 0.00 56.93 54.43 3d45 s PHE 312 Cb -0.01 -1.94 0.56 0.00 0.51 0.00 0.00 43.02 42.14 3d45 s PHE 312 CO 0.53 -0.83 1.70 -1.00 0.70 0.00 0.00 175.22 176.33 3d45 h PRO 313 N 7.88 0.00 -3.08 0.24 0.13 -1.83 -3.33 132.00 132.02 3d45 h PRO 313 Ca -0.34 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.45 3d45 h PRO 313 Cb 1.10 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.85 3d45 h PRO 313 CO 0.56 0.48 -0.68 1.03 -0.23 0.00 0.00 178.00 179.16 3d45 s ARG 314 N -3.71 0.02 0.01 0.86 0.52 -1.26 -4.91 118.95 110.47 3d45 s ARG 314 Ca -0.01 0.38 0.07 0.00 -0.52 0.00 0.00 55.73 55.65 3d45 s ARG 314 Cb 0.12 -0.66 -0.02 0.00 0.52 0.00 0.00 34.95 34.91 3d45 s ARG 314 CO 0.72 -0.40 -0.23 -0.51 0.02 0.00 0.00 175.30 174.90 3d45 s LEU 315 N 2.24 2.09 -0.07 2.53 1.02 -1.26 -0.54 118.68 124.70 3d45 s LEU 315 Ca 0.04 -0.46 -0.03 0.00 0.02 0.00 0.00 54.13 53.70 3d45 s LEU 315 Cb -0.13 -1.14 0.04 0.00 0.02 0.00 0.00 46.19 44.98 3d45 s LEU 315 CO -0.06 0.25 0.12 -0.22 0.02 0.00 0.00 176.35 176.46 3d45 s LEU 316 N -0.77 0.18 -0.34 1.79 0.20 -0.67 0.06 118.68 119.13 3d45 s LEU 316 Ca 0.09 0.24 -0.15 0.00 0.69 0.00 0.00 54.13 55.01 3d45 s LEU 316 Cb -0.09 0.16 -0.01 0.00 -0.43 0.00 0.00 46.19 45.82 3d45 s LEU 316 CO 0.00 -0.22 0.33 -0.62 -0.29 0.00 0.00 176.35 175.55 3d45 s ASP 317 N 2.00 6.15 0.23 3.68 -1.08 -1.26 -1.54 116.67 124.85 3d45 s ASP 317 Ca 0.01 -0.30 -0.08 0.00 -0.52 0.00 0.00 52.55 51.67 3d45 s ASP 317 Cb -0.12 -2.18 0.21 0.00 -1.46 0.00 0.00 42.92 39.37 3d45 s ASP 317 CO -0.05 -0.32 1.89 0.71 0.52 0.00 0.00 175.17 177.92 3d45 h THR 318 N 5.53 1.24 -0.23 1.71 1.35 -0.99 -1.76 112.91 119.77 3d45 h THR 318 Ca -0.30 -0.50 0.04 0.00 -0.55 0.00 0.00 66.41 65.10 3d45 h THR 318 Cb 1.15 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 3d45 h THR 318 CO 0.68 0.25 0.16 0.50 -0.25 0.00 0.00 175.52 176.85 3d45 h LYS 319 N 1.24 0.14 -0.10 4.72 3.64 -1.90 0.22 116.57 124.52 3d45 h LYS 319 Ca 0.33 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.48 3d45 h LYS 319 Cb -0.09 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3d45 h LYS 319 CO -0.06 0.09 -0.82 1.25 -2.27 0.00 0.00 179.45 177.64 3d45 h LEU 320 N 0.15 0.80 0.60 5.20 5.85 -1.71 -2.93 115.31 123.27 3d45 h LEU 320 Ca 0.10 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 3d45 h LEU 320 Cb 0.21 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3d45 h LEU 320 CO -0.01 1.34 -0.33 -0.03 -0.34 0.00 0.00 178.44 179.06 3d45 h MET 321 N 0.44 -0.83 0.00 1.25 4.05 -0.75 -0.85 114.93 118.24 3d45 h MET 321 Ca -0.06 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3d45 h MET 321 Cb 1.44 0.19 0.00 0.00 -0.80 0.00 0.00 31.60 32.42 3d45 h MET 321 CO 0.16 -0.55 0.19 0.00 0.23 0.00 0.00 176.91 176.94 3d45 h ALA 322 N -0.48 1.14 -0.40 0.39 0.00 -1.09 -1.32 119.26 117.50 3d45 h ALA 322 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 3d45 h ALA 322 Cb 0.68 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 3d45 h ALA 322 CO 0.11 -0.14 -0.01 -1.13 0.00 0.00 0.00 179.25 178.07 3d45 n SER 323 N -2.33 2.69 -4.12 0.00 3.41 -0.33 -4.04 113.62 108.90 3d45 n SER 323 Ca -0.01 -3.71 -0.09 0.00 -0.26 0.00 0.00 58.87 54.80 3d45 n SER 323 Cb 0.22 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.42 3d45 n SER 323 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3d45 s THR 324 N -3.22 0.45 0.28 6.66 -4.23 -0.50 -4.71 115.64 110.37 3d45 s THR 324 Ca 0.46 -1.82 -0.30 0.00 -1.18 0.00 0.00 61.69 58.85 3d45 s THR 324 Cb 0.41 -1.53 -0.13 0.00 1.34 0.00 0.00 72.50 72.59 3d45 s THR 324 CO 0.01 -0.91 1.42 0.00 -0.54 0.00 0.00 174.62 174.60 3d45 n GLN 325 N 0.12 2.21 0.00 3.99 3.00 -1.26 0.10 117.38 125.54 3d45 n GLN 325 Ca -0.14 0.78 0.13 0.00 -0.01 0.00 0.00 57.00 57.77 3d45 n GLN 325 Cb 0.61 -2.45 0.44 0.00 0.00 0.00 0.00 30.24 28.84 3d45 n GLN 325 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 3d45 n PRO 326 N 1.63 0.16 0.03 -1.09 -0.05 -1.26 -4.82 135.00 129.60 3d45 n PRO 326 Ca 0.09 -0.07 0.01 0.00 -0.05 0.00 0.00 63.50 63.48 3d45 n PRO 326 Cb 0.34 -1.50 0.32 0.00 -0.05 0.00 0.00 33.50 32.61 3d45 n PRO 326 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 3d45 h PHE 327 N 0.16 0.48 -1.11 0.54 -1.00 0.37 -2.98 116.94 113.40 3d45 h PHE 327 Ca 0.00 -0.05 0.33 0.00 2.81 0.00 0.00 57.97 61.06 3d45 h PHE 327 Cb 0.48 -0.14 -0.12 0.00 3.61 0.00 0.00 35.95 39.78 3d45 h PHE 327 CO 0.00 0.49 0.69 -0.22 -1.61 0.00 0.00 178.31 177.66 3d45 h LYS 328 N 0.44 0.29 0.00 1.51 3.64 -1.06 -0.01 116.57 121.38 3d45 h LYS 328 Ca 0.09 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.25 3d45 h LYS 328 Cb 0.33 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3d45 h LYS 328 CO 0.01 0.19 -1.54 -0.25 -2.27 0.00 0.00 179.45 175.59 3d45 n ASP 329 N -4.79 0.83 0.07 4.20 9.92 -1.12 -4.22 116.55 121.44 3d45 n ASP 329 Ca 0.31 0.38 0.11 0.00 -0.53 0.00 0.00 54.79 55.06 3d45 n ASP 329 Cb 1.06 0.13 0.01 0.00 -0.64 0.00 0.00 41.12 41.68 3d45 n ASP 329 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3d45 n ILE 330 N -2.93 0.43 -5.19 0.53 2.08 -0.73 -4.90 119.36 108.64 3d45 n ILE 330 Ca -0.13 -0.45 -0.31 0.00 0.56 0.00 0.00 62.75 62.43 3d45 n ILE 330 Cb 0.91 -0.17 -0.17 0.00 -0.75 0.00 0.00 39.64 39.47 3d45 n ILE 330 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3d45 s ILE 331 N -3.32 1.97 -0.14 1.39 1.01 -0.10 -5.03 121.20 116.98 3d45 s ILE 331 Ca 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.68 3d45 s ILE 331 Cb 0.11 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3d45 s ILE 331 CO 0.80 0.55 0.14 0.59 0.00 0.00 0.00 174.94 177.01 3d45 n ASN 332 N 3.13 0.70 -3.95 3.58 3.02 -1.26 -4.71 115.26 115.77 3d45 n ASN 332 Ca -0.18 -0.51 -0.22 0.00 -0.03 0.00 0.00 54.58 53.64 3d45 n ASN 332 Cb 0.52 1.02 -0.16 0.00 -0.61 0.00 0.00 39.78 40.55 3d45 n ASN 332 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3d45 s ASN 333 N -1.48 1.38 -0.20 6.41 2.47 -1.26 -4.66 114.94 117.59 3d45 s ASN 333 Ca 0.01 -0.21 0.15 0.00 0.42 0.00 0.00 52.86 53.23 3d45 s ASN 333 Cb 0.03 -0.64 0.49 0.00 -1.45 0.00 0.00 41.25 39.68 3d45 s ASN 333 CO 0.15 -0.02 1.39 0.35 -3.72 0.00 0.00 177.10 175.25 3d45 n THR 334 N 3.98 2.31 -1.69 -5.21 -2.24 -1.26 -4.04 114.28 106.12 3d45 n THR 334 Ca -0.23 -2.20 -0.42 0.00 -2.27 0.00 0.00 64.05 58.93 3d45 n THR 334 Cb 0.51 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3d45 n THR 334 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3d45 n SER 335 N -0.83 2.61 -0.08 3.42 7.64 -1.26 -4.78 113.62 120.34 3d45 n SER 335 Ca 0.24 1.17 -0.06 0.00 1.01 0.00 0.00 58.87 61.22 3d45 n SER 335 Cb 0.90 -1.48 -0.00 0.00 -1.01 0.00 0.00 64.21 62.61 3d45 n SER 335 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3d45 h LEU 336 N 2.34 -0.39 -0.48 -3.43 5.85 -1.97 0.43 115.31 117.67 3d45 h LEU 336 Ca -0.47 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.44 3d45 h LEU 336 Cb 1.29 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.49 3d45 h LEU 336 CO 0.61 -0.14 0.09 0.00 -0.34 0.00 0.00 178.44 178.67 3d45 h ALA 337 N 1.24 0.53 -0.22 1.25 0.00 -1.98 -0.76 119.26 119.32 3d45 h ALA 337 Ca 0.16 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 3d45 h ALA 337 Cb 0.28 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3d45 h ALA 337 CO -0.35 -0.31 -0.56 0.93 0.00 0.00 0.00 179.25 178.96 3d45 h GLU 338 N 0.23 0.68 -0.98 0.00 4.39 -1.77 -3.11 114.58 114.02 3d45 h GLU 338 Ca 0.24 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.51 3d45 h GLU 338 Cb 0.32 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 3d45 h GLU 338 CO -0.31 1.06 0.65 1.25 -1.16 0.00 0.00 179.01 180.50 3d45 h LEU 339 N 0.52 1.13 -1.16 1.33 5.85 0.26 -1.83 115.31 121.40 3d45 h LEU 339 Ca 0.01 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3d45 h LEU 339 Cb 1.13 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3d45 h LEU 339 CO 0.11 0.81 0.44 -0.08 -0.34 0.00 0.00 178.44 179.38 3d45 h GLU 340 N 1.33 1.01 0.06 1.25 4.81 -1.08 -2.53 114.58 119.43 3d45 h GLU 340 Ca 0.36 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3d45 h GLU 340 Cb -0.14 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.03 3d45 h GLU 340 CO -0.08 0.72 -0.03 0.87 -0.73 0.00 0.00 179.01 179.75 3d45 h LYS 341 N 1.03 -0.08 -0.13 1.92 6.56 -1.33 -3.29 116.57 121.25 3d45 h LYS 341 Ca 0.27 0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.81 3d45 h LYS 341 Cb -0.03 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 3d45 h LYS 341 CO -0.05 0.25 -0.15 -0.09 -2.06 0.00 0.00 179.45 177.34 3d45 h ARG 342 N -0.41 0.21 -0.09 3.15 9.65 -1.17 -2.03 114.38 123.68 3d45 h ARG 342 Ca -0.01 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3d45 h ARG 342 Cb 0.36 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3d45 h ARG 342 CO 0.01 0.37 0.00 1.28 2.80 0.00 0.00 179.97 184.44 3d45 n LEU 343 N -4.26 0.78 -0.02 3.80 4.77 -0.97 -3.01 117.00 118.09 3d45 n LEU 343 Ca -0.01 -0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 55.61 3d45 n LEU 343 Cb 0.28 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 3d45 n LEU 343 CO 0.38 0.17 -0.64 1.17 -1.33 0.00 0.00 177.39 177.14 3d45 n LYS 344 N -0.23 0.65 -3.15 3.23 4.81 -0.76 -3.97 118.16 118.73 3d45 n LYS 344 Ca 0.13 0.09 -0.22 0.00 -0.87 0.00 0.00 58.31 57.44 3d45 n LYS 344 Cb 0.18 -1.68 0.01 0.00 0.02 0.00 0.00 35.03 33.55 3d45 n LYS 344 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3d45 s GLU 345 N -2.87 3.12 0.75 1.64 0.41 -1.17 -4.42 118.70 116.15 3d45 s GLU 345 Ca -0.06 -0.60 -0.16 0.00 -0.41 0.00 0.00 54.97 53.74 3d45 s GLU 345 Cb 0.09 -2.63 -0.01 0.00 -1.78 0.00 0.00 34.13 29.80 3d45 s GLU 345 CO 0.83 -0.15 0.74 0.25 -0.49 0.00 0.00 175.26 176.45 3d45 n THR 346 N -1.94 2.02 0.53 3.63 -2.24 -1.26 -1.40 114.28 113.62 3d45 n THR 346 Ca 0.00 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.39 3d45 n THR 346 Cb 0.58 -0.90 0.05 0.00 -2.10 0.00 0.00 70.33 67.95 3d45 n THR 346 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3d45 n PRO 347 N -1.44 1.35 -2.02 -0.78 -0.04 -1.26 -5.03 135.00 125.78 3d45 n PRO 347 Ca 0.11 -0.65 -0.08 0.00 -0.04 0.00 0.00 63.50 62.84 3d45 n PRO 347 Cb 0.50 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.66 3d45 n PRO 347 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3d45 n PHE 348 N 0.15 -1.99 -3.37 0.54 3.01 -0.50 -4.93 117.46 110.37 3d45 n PHE 348 Ca 0.12 -0.81 0.02 0.00 1.01 0.00 0.00 57.45 57.79 3d45 n PHE 348 Cb 0.71 -0.18 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 3d45 n PHE 348 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3d45 s ASP 349 N -2.25 -0.81 -0.12 4.37 2.15 -1.25 -4.67 116.67 114.08 3d45 s ASP 349 Ca 0.17 0.90 -0.27 0.00 0.43 0.00 0.00 52.55 53.78 3d45 s ASP 349 Cb -0.01 1.84 -0.02 0.00 -0.30 0.00 0.00 42.92 44.43 3d45 s ASP 349 CO 0.11 -0.15 0.89 -2.16 -0.17 0.00 0.00 175.17 173.69 3d45 s PRO 350 N 2.70 4.38 0.60 4.34 0.04 -1.26 -4.79 135.00 141.00 3d45 s PRO 350 Ca 0.01 1.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.03 3d45 s PRO 350 Cb -0.09 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 3d45 s PRO 350 CO -0.17 -0.26 1.26 -1.25 0.04 0.00 0.00 177.00 176.61 3d45 s PRO 351 N 1.88 2.85 -0.09 0.56 0.04 -1.26 -4.94 135.00 134.05 3d45 s PRO 351 Ca 0.43 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 63.14 3d45 s PRO 351 Cb -0.18 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3d45 s PRO 351 CO 0.16 -1.34 1.13 -1.59 0.04 0.00 0.00 177.00 175.40 3d45 s LYS 352 N -3.28 4.36 -0.10 4.56 0.00 -1.26 -5.00 119.74 119.03 3d45 s LYS 352 Ca 0.78 1.56 0.03 0.00 0.00 0.00 0.00 55.97 58.35 3d45 s LYS 352 Cb -0.34 -3.57 -0.01 0.00 0.00 0.00 0.00 37.83 33.91 3d45 s LYS 352 CO 0.37 -0.42 -0.21 0.54 0.00 0.00 0.00 175.35 175.63 3d45 s VAL 353 N 2.26 2.37 -0.04 1.79 0.11 -1.26 -2.61 120.40 123.03 3d45 s VAL 353 Ca 0.53 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.71 3d45 s VAL 353 Cb -0.22 -1.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.69 3d45 s VAL 353 CO 0.19 0.55 -0.20 -0.70 -3.33 0.00 0.00 175.10 171.62 3d45 s GLU 354 N 0.17 2.37 -0.01 1.54 2.12 -0.47 -5.00 118.70 119.41 3d45 s GLU 354 Ca -0.12 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.10 3d45 s GLU 354 Cb -0.16 -2.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 3d45 s GLU 354 CO 0.06 0.56 1.21 -1.12 -0.54 0.00 0.00 175.26 175.44 3d45 s SER 355 N -0.60 7.05 0.54 -1.70 0.01 -1.26 -0.32 113.70 117.42 3d45 s SER 355 Ca 0.09 1.90 -0.20 0.00 1.31 0.00 0.00 55.95 59.05 3d45 s SER 355 Cb -0.11 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.49 3d45 s SER 355 CO 0.00 -0.55 0.97 0.00 0.41 0.00 0.00 173.24 174.07 3d45 n ALA 356 N 4.77 0.16 -1.74 1.44 0.00 -0.81 -4.85 120.51 119.47 3d45 n ALA 356 Ca 0.10 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 3d45 n ALA 356 Cb 0.46 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 3d45 n ALA 356 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3d45 n GLU 357 N -0.54 2.74 -0.48 0.00 4.07 -1.26 -2.44 120.64 122.74 3d45 n GLU 357 Ca 0.12 0.98 0.00 0.00 -0.06 0.00 0.00 57.16 58.20 3d45 n GLU 357 Cb 0.45 -2.78 0.00 0.00 -0.06 0.00 0.00 31.44 29.05 3d45 n GLU 357 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3d45 n GLY 358 N 2.46 0.74 3.82 8.31 0.00 -1.26 -5.06 105.19 114.20 3d45 n GLY 358 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3d45 n GLY 358 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d45 s PHE 359 N -2.95 3.22 0.21 1.61 0.40 -1.02 -5.10 117.98 114.34 3d45 s PHE 359 Ca 0.00 0.02 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 3d45 s PHE 359 Cb 0.00 -1.56 -0.08 0.00 0.51 0.00 0.00 43.02 41.89 3d45 s PHE 359 CO 0.00 0.52 0.99 -2.14 0.70 0.00 0.00 175.22 175.29 3d45 s PRO 360 N -3.00 4.76 0.36 0.24 0.02 -1.26 -4.89 135.00 131.23 3d45 s PRO 360 Ca 0.31 1.55 0.01 0.00 0.02 0.00 0.00 61.00 62.89 3d45 s PRO 360 Cb -0.11 -3.29 0.07 0.00 0.02 0.00 0.00 34.50 31.19 3d45 s PRO 360 CO 0.24 0.35 0.49 -1.13 -0.33 0.00 0.00 177.00 176.62 3d45 n SER 361 N 1.88 0.76 -0.03 2.53 3.41 -1.25 -4.35 113.62 116.57 3d45 n SER 361 Ca -0.00 -1.62 -0.03 0.00 -0.26 0.00 0.00 58.87 56.95 3d45 n SER 361 Cb 0.47 -0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 3d45 n SER 361 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3d45 n TYR 362 N -2.04 0.01 -1.62 7.33 4.01 -1.26 -3.58 117.16 120.00 3d45 n TYR 362 Ca 0.08 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.66 3d45 n TYR 362 Cb 0.30 -0.19 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 3d45 n TYR 362 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3d45 n ASP 363 N -3.24 -5.03 0.00 7.72 9.92 -1.26 -4.83 116.55 119.84 3d45 n ASP 363 Ca -0.05 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 3d45 n ASP 363 Cb 0.19 -4.03 0.00 0.00 -0.64 0.00 0.00 41.12 36.64 3d45 n ASP 363 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3d45 n GLN 368 N -2.53 0.00 -1.87 -1.24 0.00 -1.26 -5.26 117.38 105.22 3d45 n GLN 368 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 57.00 56.45 3d45 n GLN 368 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.84 3d45 n GLN 368 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3d45 s LEU 369 N 0.00 3.88 -0.18 2.61 2.01 -1.26 -4.94 118.68 120.80 3d45 s LEU 369 Ca 0.00 2.68 -0.29 0.00 0.01 0.00 0.00 54.13 56.53 3d45 s LEU 369 Cb 0.00 -4.27 -0.01 0.00 0.01 0.00 0.00 46.19 41.92 3d45 s LEU 369 CO 0.00 -1.44 1.31 -1.00 1.01 0.00 0.00 176.35 176.22 3d45 s HIS 370 N -1.35 2.73 0.31 0.29 3.76 -1.26 -4.99 115.29 114.78 3d45 s HIS 370 Ca 0.70 0.91 0.03 0.00 -0.15 0.00 0.00 55.06 56.55 3d45 s HIS 370 Cb -0.38 -3.61 -0.06 0.00 1.11 0.00 0.00 32.58 29.64 3d45 s HIS 370 CO 0.45 -1.90 0.07 -1.83 -0.85 0.00 0.00 174.74 170.68 3d45 s GLU 371 N 3.69 1.58 0.12 1.40 -1.05 -1.26 -4.90 118.70 118.27 3d45 s GLU 371 Ca 0.57 -1.87 -0.19 0.00 -0.15 0.00 0.00 54.97 53.33 3d45 s GLU 371 Cb -0.22 -0.69 -0.05 0.00 -0.44 0.00 0.00 34.13 32.73 3d45 s GLU 371 CO 0.17 -0.22 1.72 0.00 0.95 0.00 0.00 175.26 177.89 3d45 h ALA 372 N 2.19 0.34 -1.12 -0.84 0.00 -1.87 -2.28 119.26 115.68 3d45 h ALA 372 Ca -0.40 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3d45 h ALA 372 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3d45 h ALA 372 CO 0.67 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.21 3d45 n GLY 373 N -0.95 -2.94 0.23 0.00 0.00 -1.26 -1.23 105.19 99.03 3d45 n GLY 373 Ca -0.02 0.29 0.04 0.00 0.00 0.00 0.00 46.02 46.33 3d45 n GLY 373 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3d45 n TYR 374 N -1.79 0.25 -0.03 1.61 9.36 -1.24 -0.15 117.16 125.16 3d45 n TYR 374 Ca 0.00 0.77 -0.06 0.00 3.32 0.00 0.00 57.90 61.93 3d45 n TYR 374 Cb 0.00 -0.88 0.14 0.00 -0.63 0.00 0.00 39.34 37.97 3d45 n TYR 374 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3d45 h ASP 375 N 0.00 0.62 0.60 2.98 5.19 -1.22 0.67 116.42 125.26 3d45 h ASP 375 Ca 0.31 -0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 3d45 h ASP 375 Cb 0.50 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.84 3d45 h ASP 375 CO -0.64 0.87 -0.29 0.00 -3.12 0.00 0.00 179.24 176.06 3d45 h ALA 376 N 1.17 -0.80 -0.94 3.45 0.00 0.89 0.41 119.26 123.44 3d45 h ALA 376 Ca 0.07 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.05 3d45 h ALA 376 Cb 0.75 0.31 -0.17 0.00 0.00 0.00 0.00 17.79 18.68 3d45 h ALA 376 CO 0.06 -0.86 0.15 -0.92 0.00 0.00 0.00 179.25 177.67 3d45 h TYR 377 N -0.98 0.17 0.29 0.00 5.03 -0.94 0.35 116.97 120.88 3d45 h TYR 377 Ca -0.08 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 3d45 h TYR 377 Cb 0.67 0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.03 3d45 h TYR 377 CO -0.00 -0.35 -0.14 0.82 -1.32 0.00 0.00 178.16 177.16 3d45 h ILE 378 N 0.08 0.73 -0.80 1.81 1.08 -0.73 -2.74 117.51 116.93 3d45 h ILE 378 Ca 0.60 -0.60 0.19 0.00 -0.39 0.00 0.00 64.86 64.66 3d45 h ILE 378 Cb 1.27 1.03 -0.12 0.00 -3.07 0.00 0.00 36.82 35.93 3d45 h ILE 378 CO -0.80 0.12 0.21 0.74 -0.69 0.00 0.00 178.15 177.72 3d45 h THR 379 N -0.72 0.44 -0.47 -0.27 2.02 0.29 0.13 112.91 114.32 3d45 h THR 379 Ca -0.04 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3d45 h THR 379 Cb 0.49 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3d45 h THR 379 CO 0.07 0.05 0.22 1.23 0.37 0.00 0.00 175.52 177.45 3d45 h GLY 380 N 0.26 0.74 0.85 2.16 0.00 -0.51 -1.62 103.07 104.94 3d45 h GLY 380 Ca 0.47 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.47 3d45 h GLY 380 CO -0.57 0.36 0.54 1.41 0.00 0.00 0.00 176.54 178.28 3d45 h LEU 381 N 0.62 0.89 -0.16 3.11 3.38 -0.71 -1.23 115.31 121.20 3d45 h LEU 381 Ca 0.16 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.17 3d45 h LEU 381 Cb 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3d45 h LEU 381 CO -0.02 0.61 -0.07 0.00 0.09 0.00 0.00 178.44 179.05 3d45 h PHE 383 N -0.05 0.63 -0.25 0.00 3.57 -0.34 -0.98 116.94 119.51 3d45 h PHE 383 Ca 0.09 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3d45 h PHE 383 Cb 0.18 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3d45 h PHE 383 CO -0.22 0.26 0.04 0.82 -2.23 0.00 0.00 178.31 176.98 3d45 h ILE 384 N 0.61 1.23 -0.65 1.41 2.04 -0.96 0.11 117.51 121.30 3d45 h ILE 384 Ca 0.32 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3d45 h ILE 384 Cb 0.28 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 3d45 h ILE 384 CO -0.23 0.25 0.37 -1.28 0.00 0.00 0.00 178.15 177.26 3d45 h SER 385 N 0.23 0.57 0.78 1.72 0.87 -0.62 -0.07 113.55 117.02 3d45 h SER 385 Ca 0.08 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3d45 h SER 385 Cb 0.33 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3d45 h SER 385 CO 0.00 0.38 -0.44 0.24 -0.53 0.00 0.00 176.83 176.48 3d45 h MET 386 N 0.70 0.00 0.17 2.24 2.86 -0.98 -1.97 114.93 117.94 3d45 h MET 386 Ca 0.28 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 3d45 h MET 386 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3d45 h MET 386 CO -0.16 0.44 -0.08 0.00 1.06 0.00 0.00 176.91 178.17 3d45 h ALA 387 N 1.56 -0.22 -0.46 6.32 0.00 0.01 -2.67 119.26 123.79 3d45 h ALA 387 Ca -0.00 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.78 3d45 h ALA 387 Cb 0.94 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 3d45 h ALA 387 CO 0.06 -0.38 -0.04 -0.91 0.00 0.00 0.00 179.25 177.97 3d45 h ASN 388 N -0.71 -0.29 -0.36 0.00 2.35 -0.99 -0.57 115.58 115.02 3d45 h ASN 388 Ca -0.02 0.12 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3d45 h ASN 388 Cb 0.50 0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.04 3d45 h ASN 388 CO 0.04 -0.10 -0.03 0.22 -1.65 0.00 0.00 177.43 175.91 3d45 h TYR 389 N 0.07 -0.08 -1.02 1.19 3.20 -1.45 -2.39 116.97 116.49 3d45 h TYR 389 Ca 0.23 0.03 0.25 0.00 3.14 0.00 0.00 58.73 62.38 3d45 h TYR 389 Cb 0.35 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.62 3d45 h TYR 389 CO -0.34 -0.10 0.66 1.25 -1.64 0.00 0.00 178.16 177.99 3d45 h LEU 390 N 0.06 0.45 -7.67 2.82 5.85 -0.74 -2.99 115.31 113.10 3d45 h LEU 390 Ca 0.17 0.08 -0.71 0.00 0.84 0.00 0.00 57.88 58.26 3d45 h LEU 390 Cb 0.25 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.15 3d45 h LEU 390 CO -0.32 0.11 1.80 0.61 -0.34 0.00 0.00 178.44 180.30 3d45 n GLY 391 N -1.47 3.14 1.40 3.75 0.00 -0.90 -5.12 105.19 105.99 3d45 n GLY 391 Ca 0.24 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3d45 n GLY 391 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d45 n SER 392 N 6.73 0.35 0.00 1.61 7.64 -1.13 -4.97 113.62 123.85 3d45 n SER 392 Ca 0.43 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 58.30 3d45 n SER 392 Cb 0.44 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 3d45 n SER 392 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3d45 n SER 402 N 0.28 0.00 -1.24 6.43 2.88 -1.26 -5.17 113.62 115.53 3d45 n SER 402 Ca -0.05 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.51 3d45 n SER 402 Cb 0.99 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 3d45 n SER 402 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d45 n ALA 403 N 0.74 2.52 -0.89 -1.46 0.00 -1.26 -4.72 120.51 115.43 3d45 n ALA 403 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.63 3d45 n ALA 403 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3d45 n ALA 403 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3d45 n ARG 404 N 0.33 0.00 -0.88 0.00 3.00 -1.26 -4.84 116.66 113.01 3d45 n ARG 404 Ca -0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 3d45 n ARG 404 Cb 0.99 -0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.47 3d45 n ARG 404 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3d45 n SER 405 N 0.00 -2.56 0.02 6.15 2.88 -1.26 -4.96 113.62 113.89 3d45 n SER 405 Ca 0.00 -0.01 0.09 0.00 -1.33 0.00 0.00 58.87 57.62 3d45 n SER 405 Cb 0.00 -0.51 -0.12 0.00 -0.75 0.00 0.00 64.21 62.83 3d45 n SER 405 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3d45 n LYS 406 N 2.18 0.64 0.13 -1.46 4.76 -1.26 -4.18 118.16 118.98 3d45 n LYS 406 Ca -0.01 -0.07 0.05 0.00 -2.87 0.00 0.00 58.31 55.41 3d45 n LYS 406 Cb 0.43 -1.62 0.49 0.00 -1.84 0.00 0.00 35.03 32.49 3d45 n LYS 406 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3d45 h LEU 407 N 0.00 0.22 0.00 -0.35 3.38 -2.00 -2.98 115.31 113.57 3d45 h LEU 407 Ca -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3d45 h LEU 407 Cb 1.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3d45 h LEU 407 CO 0.00 0.23 -1.49 2.30 0.09 0.00 0.00 178.44 179.57 3d45 n ILE 408 N -4.43 0.28 -0.32 1.22 -5.35 -1.26 -4.52 119.36 104.98 3d45 n ILE 408 Ca -0.00 -0.50 -0.03 0.00 -0.27 0.00 0.00 62.75 61.94 3d45 n ILE 408 Cb 0.14 -0.13 -0.00 0.00 -1.74 0.00 0.00 39.64 37.91 3d45 n ILE 408 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3d45 n GLU 409 N -2.42 -0.24 0.10 6.28 2.13 -1.13 -0.74 120.64 124.63 3d45 n GLU 409 Ca -0.02 1.25 0.05 0.00 0.66 0.00 0.00 57.16 59.10 3d45 n GLU 409 Cb 0.55 -1.85 0.26 0.00 0.27 0.00 0.00 31.44 30.67 3d45 n GLU 409 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3d45 n PRO 410 N -5.15 0.06 0.00 5.31 -0.04 -1.26 -0.28 135.00 133.65 3d45 n PRO 410 Ca 0.06 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 3d45 n PRO 410 Cb 0.29 -1.92 0.35 0.00 -0.04 0.00 0.00 33.50 32.19 3d45 n PRO 410 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3d45 n PHE 411 N -1.82 0.00 -2.32 0.54 0.99 0.08 -4.89 117.46 110.04 3d45 n PHE 411 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 3d45 n PHE 411 Cb 0.22 -0.13 -0.03 0.00 -1.00 0.00 0.00 39.48 38.54 3d45 n PHE 411 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 3d45 s PHE 412 N -2.54 3.36 -1.52 1.38 2.99 0.62 -3.56 117.98 118.70 3d45 s PHE 412 Ca 0.23 1.25 -0.09 0.00 0.00 0.00 0.00 56.93 58.31 3d45 s PHE 412 Cb 0.19 -3.51 0.07 0.00 0.00 0.00 0.00 43.02 39.77 3d45 s PHE 412 CO 0.54 -1.60 0.69 0.09 -0.00 0.00 0.00 175.22 174.94 3d45 n ASN 413 N 3.29 -2.36 -4.05 1.36 3.02 0.11 -4.94 115.26 111.70 3d45 n ASN 413 Ca 0.08 -0.94 -0.32 0.00 -0.03 0.00 0.00 54.58 53.37 3d45 n ASN 413 Cb 0.44 -3.24 -0.16 0.00 -0.61 0.00 0.00 39.78 36.21 3d45 n ASN 413 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3d45 s LYS 414 N -6.63 2.29 0.11 3.52 -0.14 -1.23 -1.49 119.74 116.17 3d45 s LYS 414 Ca 0.39 -1.04 -0.07 0.00 -1.36 0.00 0.00 55.97 53.89 3d45 s LYS 414 Cb -0.20 -2.64 -0.06 0.00 -1.68 0.00 0.00 37.83 33.25 3d45 s LYS 414 CO 0.88 -0.44 0.38 -0.51 -0.76 0.00 0.00 175.35 174.90 3d45 s LEU 415 N 1.26 4.30 0.69 3.17 1.43 0.64 -4.31 118.68 125.86 3d45 s LEU 415 Ca -0.03 0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 53.59 3d45 s LEU 415 Cb -0.17 -3.14 0.02 0.00 0.03 0.00 0.00 46.19 42.92 3d45 s LEU 415 CO -0.08 0.11 1.18 0.12 0.23 0.00 0.00 176.35 177.91 3d45 s PHE 416 N -1.53 2.27 -0.03 0.29 5.36 -1.26 0.13 117.98 123.20 3d45 s PHE 416 Ca 0.37 1.57 0.06 0.00 -0.96 0.00 0.00 56.93 57.97 3d45 s PHE 416 Cb -0.13 -3.38 -0.01 0.00 -0.34 0.00 0.00 43.02 39.16 3d45 s PHE 416 CO 0.21 -2.27 -0.20 -1.17 -1.46 0.00 0.00 175.22 170.33 3d45 s LEU 417 N -4.90 2.01 0.07 6.12 2.96 -1.26 -4.59 118.68 119.09 3d45 s LEU 417 Ca 0.73 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 3d45 s LEU 417 Cb -0.27 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 3d45 s LEU 417 CO 0.42 0.22 0.22 -0.04 -1.32 0.00 0.00 176.35 175.85 3d45 s MET 418 N -0.29 3.42 -1.30 1.98 -1.94 -1.26 -4.79 119.30 115.12 3d45 s MET 418 Ca 0.03 -0.47 -0.13 0.00 -1.71 0.00 0.00 55.69 53.41 3d45 s MET 418 Cb -0.10 -3.02 0.01 0.00 2.01 0.00 0.00 34.83 33.73 3d45 s MET 418 CO 0.01 0.60 0.54 0.54 -0.01 0.00 0.00 175.02 176.70 3d45 n ARG 419 N 0.18 -1.81 -3.92 2.03 1.74 -1.24 -4.90 116.66 108.75 3d45 n ARG 419 Ca -0.05 0.33 -0.10 0.00 -0.77 0.00 0.00 57.85 57.25 3d45 n ARG 419 Cb 0.51 -3.92 -0.10 0.00 -1.02 0.00 0.00 32.46 27.93 3d45 n ARG 419 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3d45 s VAL 420 N -3.77 0.10 0.00 1.55 0.11 -1.26 -2.85 120.40 114.28 3d45 s VAL 420 Ca 0.25 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 3d45 s VAL 420 Cb -0.11 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 3d45 s VAL 420 CO 0.91 -0.43 0.19 0.23 -3.33 0.00 0.00 175.10 172.67 3d45 n MET 421 N 1.52 0.00 -0.15 1.54 2.81 -1.04 -4.59 117.12 117.21 3d45 n MET 421 Ca -0.23 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.72 3d45 n MET 421 Cb 0.55 -0.64 0.13 0.00 -0.71 0.00 0.00 33.22 32.55 3d45 n MET 421 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3d45 n ASP 422 N -0.25 2.68 -4.64 7.83 2.03 -1.26 -4.86 116.55 118.08 3d45 n ASP 422 Ca 0.00 -2.53 -0.43 0.00 0.52 0.00 0.00 54.79 52.35 3d45 n ASP 422 Cb 0.00 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.09 3d45 n ASP 422 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3d45 s ILE 423 N -1.93 4.62 0.20 5.18 1.09 -1.26 -4.75 121.20 124.35 3d45 s ILE 423 Ca 0.23 1.63 0.12 0.00 -1.10 0.00 0.00 60.65 61.53 3d45 s ILE 423 Cb 0.18 -4.32 -0.01 0.00 -1.06 0.00 0.00 42.46 37.24 3d45 s ILE 423 CO 0.06 -0.36 1.58 1.55 -0.10 0.00 0.00 174.94 177.67 3d45 h PRO 424 N 7.98 0.00 -2.20 2.79 0.13 -1.94 -3.47 132.00 135.29 3d45 h PRO 424 Ca -0.21 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.02 3d45 h PRO 424 Cb 1.07 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.04 3d45 h PRO 424 CO 0.98 0.61 0.49 1.52 -0.23 0.00 0.00 178.00 181.37 3d45 s TYR 425 N -3.44 -0.36 -0.16 1.56 -0.85 -1.26 -4.53 117.35 108.31 3d45 s TYR 425 Ca -0.00 0.28 -0.25 0.00 -0.52 0.00 0.00 57.07 56.58 3d45 s TYR 425 Cb 0.12 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.96 3d45 s TYR 425 CO 0.75 -0.53 0.80 -1.17 -1.52 0.00 0.00 175.55 173.89 3d45 s LEU 426 N -2.30 4.18 -0.07 -3.49 2.96 0.35 -4.88 118.68 115.44 3d45 s LEU 426 Ca 0.04 1.15 -0.23 0.00 -0.22 0.00 0.00 54.13 54.87 3d45 s LEU 426 Cb -0.01 -3.19 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 3d45 s LEU 426 CO -0.07 -0.36 0.68 0.21 -1.32 0.00 0.00 176.35 175.48 3d45 s ASN 427 N 1.13 6.96 0.02 3.68 3.84 -1.26 -0.26 114.94 129.06 3d45 s ASN 427 Ca 0.37 1.15 0.17 0.00 0.21 0.00 0.00 52.86 54.77 3d45 s ASN 427 Cb -0.17 -2.40 -0.16 0.00 -0.55 0.00 0.00 41.25 37.97 3d45 s ASN 427 CO 0.13 -0.10 0.72 0.18 -2.79 0.00 0.00 177.10 175.24 3d45 n LEU 428 N 3.75 0.74 0.06 3.21 4.77 -0.55 -3.38 117.00 125.60 3d45 n LEU 428 Ca -0.02 0.33 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 3d45 n LEU 428 Cb 0.51 0.12 0.48 0.00 -2.33 0.00 0.00 43.42 42.20 3d45 n LEU 428 CO 0.47 0.19 0.89 -0.62 -1.33 0.00 0.00 177.39 176.99 3d45 n GLU 429 N -2.85 0.14 -1.45 3.23 1.02 -1.26 -4.46 120.64 115.00 3d45 n GLU 429 Ca -0.12 0.17 0.18 0.00 -0.02 0.00 0.00 57.16 57.37 3d45 n GLU 429 Cb 0.87 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 30.52 3d45 n GLU 429 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d45 n GLY 430 N 1.07 -3.18 4.01 0.62 0.00 -1.22 -5.06 105.19 101.45 3d45 n GLY 430 Ca 0.05 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 3d45 n GLY 430 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d45 s PRO 431 N -4.19 1.67 -0.09 1.61 0.04 -1.26 -5.08 135.00 127.70 3d45 s PRO 431 Ca 0.00 -1.33 -0.09 0.00 0.04 0.00 0.00 61.00 59.62 3d45 s PRO 431 Cb 0.00 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3d45 s PRO 431 CO 0.00 -1.44 0.20 -0.51 0.04 0.00 0.00 177.00 175.29 3d45 s ASP 432 N -4.78 6.48 0.23 6.66 1.01 -1.26 -4.90 116.67 120.11 3d45 s ASP 432 Ca 0.67 0.58 -0.31 0.00 0.71 0.00 0.00 52.55 54.20 3d45 s ASP 432 Cb -0.04 -2.11 -0.14 0.00 1.01 0.00 0.00 42.92 41.63 3d45 s ASP 432 CO 0.44 0.39 1.20 0.18 0.21 0.00 0.00 175.17 177.59 3d45 n LEU 433 N 1.94 2.14 -4.58 1.23 4.77 -1.26 -4.97 117.00 116.26 3d45 n LEU 433 Ca -0.19 1.15 -0.40 0.00 -0.03 0.00 0.00 56.01 56.55 3d45 n LEU 433 Cb 0.54 -1.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.35 3d45 n LEU 433 CO 0.32 -1.06 0.46 0.00 -1.33 0.00 0.00 177.39 175.79 3d45 n GLN 434 N 1.52 1.04 0.11 3.23 1.13 -1.26 -4.89 117.38 118.27 3d45 n GLN 434 Ca 0.12 0.38 -0.13 0.00 -1.94 0.00 0.00 57.00 55.43 3d45 n GLN 434 Cb 0.29 -1.99 -0.07 0.00 0.11 0.00 0.00 30.24 28.58 3d45 n GLN 434 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3d45 h PRO 435 N 0.99 -0.24 -4.35 -1.09 0.13 -1.93 -3.47 132.00 122.03 3d45 h PRO 435 Ca -0.45 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3d45 h PRO 435 Cb 1.36 0.05 0.02 0.00 0.13 0.00 0.00 31.00 32.56 3d45 h PRO 435 CO 0.53 -0.16 -0.07 1.63 -0.23 0.00 0.00 178.00 179.70 3d45 n LYS 436 N -5.21 -0.83 -0.15 0.86 5.02 -1.26 -4.71 118.16 111.87 3d45 n LYS 436 Ca -0.08 0.98 -0.07 0.00 -2.02 0.00 0.00 58.31 57.12 3d45 n LYS 436 Cb 0.14 -3.93 0.02 0.00 -0.02 0.00 0.00 35.03 31.24 3d45 n LYS 436 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d45 h ARG 437 N 0.13 0.57 -0.55 1.97 3.08 -1.99 -2.87 114.38 114.72 3d45 h ARG 437 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3d45 h ARG 437 Cb 1.03 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3d45 h ARG 437 CO 0.18 0.37 0.00 -0.40 -1.07 0.00 0.00 179.97 179.06 3d45 n ASP 438 N -4.80 0.00 0.00 7.04 5.68 -1.26 -0.22 116.55 122.99 3d45 n ASP 438 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 3d45 n ASP 438 Cb 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 3d45 n ASP 438 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3d45 n HIS 439 N 0.58 0.00 -3.78 2.11 8.25 -1.08 -3.99 115.22 117.31 3d45 n HIS 439 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 3d45 n HIS 439 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3d45 n HIS 439 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3d45 s VAL 440 N -0.73 3.69 -0.08 1.59 -7.23 0.69 0.32 120.40 118.65 3d45 s VAL 440 Ca 0.00 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 3d45 s VAL 440 Cb 0.00 -3.24 0.10 0.00 0.56 0.00 0.00 36.38 33.80 3d45 s VAL 440 CO 0.00 -0.18 0.84 -1.48 -0.31 0.00 0.00 175.10 173.97 3d45 s LEU 441 N -4.01 -0.49 -0.13 1.32 0.05 -0.21 -4.74 118.68 110.47 3d45 s LEU 441 Ca 0.41 0.44 -0.01 0.00 0.05 0.00 0.00 54.13 55.02 3d45 s LEU 441 Cb -0.06 2.18 -0.02 0.00 -2.05 0.00 0.00 46.19 46.23 3d45 s LEU 441 CO 0.27 -0.52 -0.11 -2.28 -0.55 0.00 0.00 176.35 173.17 3d45 s HIS 442 N -1.58 2.87 0.10 3.48 5.65 -1.24 -1.14 115.29 123.42 3d45 s HIS 442 Ca -0.04 -0.52 0.09 0.00 0.25 0.00 0.00 55.06 54.84 3d45 s HIS 442 Cb -0.00 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.50 3d45 s HIS 442 CO 0.02 -0.13 -0.23 0.14 -0.65 0.00 0.00 174.74 173.89 3d45 s VAL 443 N 0.28 1.86 -0.02 0.89 -7.23 -0.61 -1.43 120.40 114.14 3d45 s VAL 443 Ca -0.08 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 3d45 s VAL 443 Cb -0.15 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 3d45 s VAL 443 CO 0.05 0.02 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.87 3d45 s THR 444 N -1.09 0.76 0.22 5.32 2.01 -1.12 -2.31 115.64 119.43 3d45 s THR 444 Ca 0.09 -0.38 -0.21 0.00 0.31 0.00 0.00 61.69 61.49 3d45 s THR 444 Cb -0.10 -0.66 0.04 0.00 0.01 0.00 0.00 72.50 71.79 3d45 s THR 444 CO 0.04 0.23 0.64 0.72 -0.69 0.00 0.00 174.62 175.56 3d45 s PHE 445 N -0.00 -0.33 0.24 4.92 -0.71 -0.42 -2.26 117.98 119.43 3d45 s PHE 445 Ca 0.00 -0.01 -0.31 0.00 -1.04 0.00 0.00 56.93 55.57 3d45 s PHE 445 Cb -0.06 0.60 -0.14 0.00 -1.21 0.00 0.00 43.02 42.21 3d45 s PHE 445 CO 0.00 -1.03 1.33 -2.30 -1.34 0.00 0.00 175.22 171.88 3d45 n PRO 446 N -0.41 1.88 0.23 1.99 -0.02 -1.25 -4.71 135.00 132.71 3d45 n PRO 446 Ca -0.10 0.67 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 3d45 n PRO 446 Cb 0.62 -2.27 0.45 0.00 -0.02 0.00 0.00 33.50 32.28 3d45 n PRO 446 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3d45 h LYS 447 N 3.77 0.00 -0.00 -0.52 6.56 -1.90 -1.27 116.57 123.20 3d45 h LYS 447 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 3d45 h LYS 447 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 3d45 h LYS 447 CO 0.72 0.00 -0.01 0.39 -2.06 0.00 0.00 179.45 178.49 3d45 n GLU 448 N -2.34 0.71 -2.19 3.15 -0.58 -1.26 -4.79 120.64 113.33 3d45 n GLU 448 Ca -0.01 -0.05 -0.40 0.00 -0.42 0.00 0.00 57.16 56.27 3d45 n GLU 448 Cb 0.43 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 3d45 n GLU 448 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3d45 s TRP 449 N -2.33 3.13 0.29 -0.32 0.52 -0.48 -5.06 118.94 114.69 3d45 s TRP 449 Ca 0.36 1.48 0.11 0.00 0.02 0.00 0.00 56.10 58.07 3d45 s TRP 449 Cb 0.21 -3.58 -0.05 0.00 -1.15 0.00 0.00 33.47 28.89 3d45 s TRP 449 CO 0.43 -1.59 -0.16 0.15 0.02 0.00 0.00 176.95 175.79 3d45 s LYS 450 N -1.81 1.77 0.29 4.98 1.02 -1.26 -5.04 119.74 119.68 3d45 s LYS 450 Ca 0.49 -1.76 0.02 0.00 0.02 0.00 0.00 55.97 54.75 3d45 s LYS 450 Cb -0.37 -1.80 0.70 0.00 -0.52 0.00 0.00 37.83 35.84 3d45 s LYS 450 CO 0.49 0.30 1.67 1.15 -0.92 0.00 0.00 175.35 178.04 3d45 h THR 451 N 2.19 0.40 -0.99 2.17 2.02 -1.97 0.48 112.91 117.20 3d45 h THR 451 Ca -0.41 -0.10 0.25 0.00 0.77 0.00 0.00 66.41 66.93 3d45 h THR 451 Cb 1.26 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 3d45 h THR 451 CO 0.62 0.05 0.67 0.77 0.37 0.00 0.00 175.52 178.00 3d45 h SER 452 N 0.29 0.30 -0.58 4.18 4.64 -1.96 0.11 113.55 120.53 3d45 h SER 452 Ca 0.55 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3d45 h SER 452 Cb 1.07 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 3d45 h SER 452 CO -0.59 0.09 0.38 0.44 -0.87 0.00 0.00 176.83 176.27 3d45 h ASP 453 N 0.28 0.67 -0.69 4.97 3.45 -1.30 -1.25 116.42 122.55 3d45 h ASP 453 Ca 0.52 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.89 3d45 h ASP 453 Cb 1.53 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 40.10 3d45 h ASP 453 CO -0.17 0.49 0.16 -0.07 -1.57 0.00 0.00 179.24 178.08 3d45 h LEU 454 N 0.78 1.05 0.54 1.55 3.38 -0.88 -1.81 115.31 119.92 3d45 h LEU 454 Ca 0.21 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3d45 h LEU 454 Cb -0.08 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.40 3d45 h LEU 454 CO -0.04 1.01 -0.26 1.88 0.09 0.00 0.00 178.44 181.12 3d45 h TYR 455 N 1.05 -0.67 -0.93 1.13 0.99 -1.37 -2.80 116.97 114.38 3d45 h TYR 455 Ca 0.22 -0.02 0.26 0.00 2.00 0.00 0.00 58.73 61.19 3d45 h TYR 455 Cb 0.38 0.22 -0.14 0.00 1.00 0.00 0.00 36.73 38.19 3d45 h TYR 455 CO 0.03 -0.42 0.39 0.37 -0.00 0.00 0.00 178.16 178.53 3d45 h GLN 456 N -1.07 0.29 0.05 4.88 4.15 -1.27 -0.28 115.11 121.86 3d45 h GLN 456 Ca -0.07 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3d45 h GLN 456 Cb 0.56 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3d45 h GLN 456 CO 0.12 0.19 -0.08 1.25 -1.93 0.00 0.00 178.83 178.38 3d45 h LEU 457 N 0.30 -0.24 -1.02 -2.39 5.85 -1.30 -2.72 115.31 113.79 3d45 h LEU 457 Ca 0.62 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.36 3d45 h LEU 457 Cb 1.29 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3d45 h LEU 457 CO -0.61 -0.10 0.00 0.49 -0.34 0.00 0.00 178.44 177.88 3d45 n PHE 458 N -2.86 0.00 0.30 1.25 3.72 -0.77 -4.26 117.46 114.84 3d45 n PHE 458 Ca -0.02 -0.01 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 3d45 n PHE 458 Cb 0.07 -0.10 0.64 0.00 -0.94 0.00 0.00 39.48 39.16 3d45 n PHE 458 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3d45 h SER 459 N 0.07 0.00 0.00 4.37 4.64 -0.74 -2.70 113.55 119.19 3d45 h SER 459 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3d45 h SER 459 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3d45 h SER 459 CO 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.92 3d45 h ALA 460 N 2.11 1.80 -0.02 5.18 0.00 -1.82 -2.89 119.26 123.61 3d45 h ALA 460 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3d45 h ALA 460 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3d45 h ALA 460 CO 0.00 0.16 -0.33 1.19 0.00 0.00 0.00 179.25 180.26 3d45 n PHE 461 N -4.43 0.00 -3.16 0.00 3.01 -1.02 -5.09 117.46 106.78 3d45 n PHE 461 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3d45 n PHE 461 Cb 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 3d45 n PHE 461 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d45 n GLY 462 N 1.37 -2.02 3.42 1.37 0.00 -1.10 -4.75 105.19 103.49 3d45 n GLY 462 Ca 0.10 -1.56 -0.50 0.00 0.00 0.00 0.00 46.02 44.06 3d45 n GLY 462 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d45 n ASN 463 N 0.79 -0.94 -4.25 1.61 5.03 -1.26 -4.80 115.26 111.43 3d45 n ASN 463 Ca 0.00 1.14 -0.14 0.00 0.87 0.00 0.00 54.58 56.45 3d45 n ASN 463 Cb 0.00 -0.96 -0.10 0.00 -1.02 0.00 0.00 39.78 37.70 3d45 n ASN 463 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3d45 s ILE 464 N -0.84 0.76 -0.16 2.41 -4.36 -1.26 -4.50 121.20 113.25 3d45 s ILE 464 Ca 0.68 -1.99 -0.02 0.00 -0.26 0.00 0.00 60.65 59.05 3d45 s ILE 464 Cb -0.97 -2.13 -0.02 0.00 1.25 0.00 0.00 42.46 40.59 3d45 s ILE 464 CO 0.56 -0.48 -0.07 -1.10 0.24 0.00 0.00 174.94 174.09 3d45 s GLN 465 N -3.90 3.50 0.19 0.37 -1.52 -1.13 -5.00 119.66 112.16 3d45 s GLN 465 Ca 0.24 -0.60 0.05 0.00 -1.95 0.00 0.00 55.36 53.10 3d45 s GLN 465 Cb 0.06 -2.83 -0.04 0.00 -0.22 0.00 0.00 33.01 29.98 3d45 s GLN 465 CO 0.04 0.13 0.16 0.42 -0.25 0.00 0.00 175.29 175.80 3d45 s ILE 466 N 0.61 4.53 -0.40 1.08 1.01 -1.26 -1.57 121.20 125.21 3d45 s ILE 466 Ca -0.04 -1.14 0.05 0.00 0.00 0.00 0.00 60.65 59.52 3d45 s ILE 466 Cb -0.15 -3.35 0.17 0.00 0.01 0.00 0.00 42.46 39.14 3d45 s ILE 466 CO 0.03 -0.17 0.47 -0.55 0.00 0.00 0.00 174.94 174.72 3d45 s SER 467 N -3.30 0.25 -0.23 3.58 0.15 -0.38 -5.00 113.70 108.77 3d45 s SER 467 Ca 0.32 -1.52 -0.42 0.00 0.70 0.00 0.00 55.95 55.03 3d45 s SER 467 Cb -0.10 0.97 -0.18 0.00 -1.71 0.00 0.00 66.02 65.00 3d45 s SER 467 CO 0.24 -0.21 1.46 0.79 1.20 0.00 0.00 173.24 176.72 3d45 n TRP 468 N 4.04 1.51 -0.13 3.44 7.02 -1.26 -1.66 117.44 130.40 3d45 n TRP 468 Ca 0.13 0.90 -0.27 0.00 -1.02 0.00 0.00 57.50 57.24 3d45 n TRP 468 Cb 0.49 -2.27 -0.11 0.00 -2.42 0.00 0.00 31.31 27.01 3d45 n TRP 468 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3d45 n ILE 469 N 3.28 1.53 -0.89 -0.99 5.41 -0.39 -3.68 119.36 123.64 3d45 n ILE 469 Ca 0.25 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.60 3d45 n ILE 469 Cb 0.06 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 3d45 n ILE 469 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3d45 n ASP 470 N -4.09 0.00 -0.01 4.38 4.64 -0.01 -4.94 116.55 116.53 3d45 n ASP 470 Ca -0.52 0.00 0.06 0.00 -1.38 0.00 0.00 54.79 52.96 3d45 n ASP 470 Cb 0.89 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.88 3d45 n ASP 470 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 3d45 n ASP 471 N 0.00 1.98 -0.01 1.67 2.03 -1.26 -4.56 116.55 116.39 3d45 n ASP 471 Ca 0.00 -0.07 0.01 0.00 0.52 0.00 0.00 54.79 55.25 3d45 n ASP 471 Cb 0.00 1.53 0.01 0.00 -0.72 0.00 0.00 41.12 41.94 3d45 n ASP 471 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3d45 n THR 472 N -1.88 0.94 -3.66 5.18 -2.24 -1.26 -4.56 114.28 106.80 3d45 n THR 472 Ca -0.02 -0.98 -0.10 0.00 -2.27 0.00 0.00 64.05 60.68 3d45 n THR 472 Cb 0.32 0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 68.99 3d45 n THR 472 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3d45 s SER 473 N -1.05 -0.20 -0.18 3.42 1.04 -1.26 -1.30 113.70 114.17 3d45 s SER 473 Ca 0.03 -0.33 -0.29 0.00 0.48 0.00 0.00 55.95 55.84 3d45 s SER 473 Cb 0.03 0.45 0.12 0.00 0.10 0.00 0.00 66.02 66.72 3d45 s SER 473 CO 0.00 -0.82 0.99 0.00 0.98 0.00 0.00 173.24 174.39 3d45 s ALA 474 N -3.71 -1.93 -0.05 5.32 0.00 -0.98 -0.83 121.76 119.58 3d45 s ALA 474 Ca 0.03 1.63 -0.19 0.00 0.00 0.00 0.00 51.96 53.42 3d45 s ALA 474 Cb 0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 3d45 s ALA 474 CO -0.11 -0.30 0.55 -0.06 0.00 0.00 0.00 175.76 175.84 3d45 s PHE 475 N -0.88 3.62 -0.04 0.00 0.08 -0.66 -1.58 117.98 118.53 3d45 s PHE 475 Ca -0.01 1.08 0.06 0.00 0.12 0.00 0.00 56.93 58.18 3d45 s PHE 475 Cb -0.01 -2.58 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 3d45 s PHE 475 CO 0.01 0.29 -0.21 0.08 -0.10 0.00 0.00 175.22 175.29 3d45 s VAL 476 N 0.10 2.47 -0.11 -0.44 1.01 -0.30 -1.25 120.40 121.88 3d45 s VAL 476 Ca 0.29 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3d45 s VAL 476 Cb -0.17 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3d45 s VAL 476 CO 0.15 0.58 -0.11 -0.94 0.00 0.00 0.00 175.10 174.78 3d45 s SER 477 N -0.62 4.26 0.43 3.32 1.04 -0.61 -1.05 113.70 120.47 3d45 s SER 477 Ca 0.09 -0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.36 3d45 s SER 477 Cb -0.11 -1.40 0.01 0.00 0.10 0.00 0.00 66.02 64.62 3d45 s SER 477 CO -0.00 0.24 0.60 -0.76 0.98 0.00 0.00 173.24 174.30 3d45 s LEU 478 N -0.07 3.68 0.32 2.42 1.43 0.15 -2.85 118.68 123.75 3d45 s LEU 478 Ca -0.01 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 3d45 s LEU 478 Cb -0.14 -2.85 0.53 0.00 0.03 0.00 0.00 46.19 43.77 3d45 s LEU 478 CO 0.03 -0.72 1.75 0.28 0.23 0.00 0.00 176.35 177.93 3d45 h SER 479 N 0.55 0.26 -4.36 2.29 0.02 -1.85 -3.46 113.55 107.01 3d45 h SER 479 Ca -0.44 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.25 3d45 h SER 479 Cb 1.27 -0.07 -0.24 0.00 0.14 0.00 0.00 62.40 63.50 3d45 h SER 479 CO 0.52 0.58 -0.52 -1.10 -1.14 0.00 0.00 176.83 175.17 3d45 s GLN 480 N -4.32 0.32 0.29 3.45 -1.52 -1.26 -5.06 119.66 111.57 3d45 s GLN 480 Ca -0.05 -0.09 0.00 0.00 -1.95 0.00 0.00 55.36 53.28 3d45 s GLN 480 Cb 0.14 0.14 0.69 0.00 -0.22 0.00 0.00 33.01 33.75 3d45 s GLN 480 CO 0.76 -0.06 1.60 -1.00 -0.25 0.00 0.00 175.29 176.34 3d45 h PRO 481 N 5.13 0.08 -0.42 2.91 0.13 -1.90 -0.11 132.00 137.82 3d45 h PRO 481 Ca -0.28 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 3d45 h PRO 481 Cb 1.20 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3d45 h PRO 481 CO 0.41 0.05 0.14 0.93 -0.23 0.00 0.00 178.00 179.30 3d45 h GLU 482 N 0.08 0.61 0.30 0.86 3.07 -1.97 -3.07 114.58 114.46 3d45 h GLU 482 Ca 0.55 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 59.31 3d45 h GLU 482 Cb 1.11 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3d45 h GLU 482 CO -0.80 0.53 -0.15 1.96 -1.40 0.00 0.00 179.01 179.16 3d45 h GLN 483 N 0.60 -0.39 -0.98 2.33 4.20 -1.41 -2.94 115.11 116.53 3d45 h GLN 483 Ca 0.14 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.97 3d45 h GLN 483 Cb 0.17 0.09 -0.12 0.00 0.30 0.00 0.00 27.48 27.92 3d45 h GLN 483 CO -0.01 -0.20 -0.58 0.28 -0.67 0.00 0.00 178.83 177.65 3d45 h VAL 484 N -0.51 0.00 -0.89 -0.54 2.07 -1.43 0.10 116.25 115.06 3d45 h VAL 484 Ca -0.04 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.68 3d45 h VAL 484 Cb 0.38 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.98 3d45 h VAL 484 CO 0.07 0.00 -0.12 -0.61 0.02 0.00 0.00 177.57 176.93 3d45 h GLN 485 N -0.02 0.02 0.18 1.57 5.75 -1.55 -2.74 115.11 118.32 3d45 h GLN 485 Ca 0.16 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3d45 h GLN 485 Cb 0.42 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.97 3d45 h GLN 485 CO -0.93 0.01 -0.08 0.82 -2.65 0.00 0.00 178.83 176.00 3d45 h ILE 486 N 0.02 0.94 -0.82 2.39 2.04 -0.64 -2.40 117.51 119.04 3d45 h ILE 486 Ca 0.47 -0.71 0.21 0.00 1.00 0.00 0.00 64.86 65.83 3d45 h ILE 486 Cb 0.80 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 3d45 h ILE 486 CO -0.88 0.16 0.57 0.00 0.00 0.00 0.00 178.15 178.00 3d45 h ALA 487 N 0.14 2.48 -0.10 1.87 0.00 -1.20 0.33 119.26 122.77 3d45 h ALA 487 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3d45 h ALA 487 Cb 0.44 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3d45 h ALA 487 CO 0.04 -0.73 0.02 0.28 0.00 0.00 0.00 179.25 178.87 3d45 h VAL 488 N 0.19 1.20 -0.94 0.00 2.07 -1.25 -1.92 116.25 115.60 3d45 h VAL 488 Ca 0.41 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.36 3d45 h VAL 488 Cb 1.31 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 3d45 h VAL 488 CO -0.08 0.18 0.61 0.78 0.02 0.00 0.00 177.57 179.08 3d45 h ASN 489 N -0.05 0.99 0.28 0.57 2.35 0.07 -2.70 115.58 117.09 3d45 h ASN 489 Ca 0.03 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3d45 h ASN 489 Cb 0.26 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3d45 h ASN 489 CO 0.00 0.66 -0.13 0.74 -1.65 0.00 0.00 177.43 177.05 3d45 h THR 490 N 1.14 0.76 0.00 2.81 2.02 -1.02 -3.04 112.91 115.59 3d45 h THR 490 Ca 0.39 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3d45 h THR 490 Cb 0.08 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3d45 h THR 490 CO -0.13 0.05 0.26 -1.54 0.37 0.00 0.00 175.52 174.52 3d45 n SER 491 N -5.20 0.36 0.30 4.18 3.41 -0.73 -0.92 113.62 115.03 3d45 n SER 491 Ca -0.10 0.58 0.20 0.00 -0.26 0.00 0.00 58.87 59.29 3d45 n SER 491 Cb 0.20 -0.54 1.04 0.00 -0.26 0.00 0.00 64.21 64.66 3d45 n SER 491 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3d45 h LYS 492 N 0.00 0.00 -0.39 4.33 1.57 -1.48 -2.55 116.57 118.05 3d45 h LYS 492 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d45 h LYS 492 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3d45 h LYS 492 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3d45 n TYR 493 N -2.88 0.51 -3.69 -1.35 4.01 -0.09 -5.01 117.16 108.66 3d45 n TYR 493 Ca -0.03 -0.41 -0.23 0.00 -0.16 0.00 0.00 57.90 57.07 3d45 n TYR 493 Cb 0.10 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 3d45 n TYR 493 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3d45 s ALA 494 N -1.04 4.20 0.00 -0.72 0.00 -0.96 -5.07 121.76 118.16 3d45 s ALA 494 Ca 0.29 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.53 3d45 s ALA 494 Cb 0.16 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3d45 s ALA 494 CO 0.21 -0.35 0.00 0.39 0.00 0.00 0.00 175.76 176.01 3d45 n GLU 495 N -1.65 0.00 -0.33 0.00 1.02 -1.26 -4.85 120.64 113.58 3d45 n GLU 495 Ca 0.02 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.43 3d45 n GLU 495 Cb 0.63 -0.58 0.52 0.00 -0.02 0.00 0.00 31.44 31.99 3d45 n GLU 495 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3d45 h SER 496 N 0.00 0.42 -5.50 1.62 0.02 -1.97 -3.45 113.55 104.69 3d45 h SER 496 Ca 0.00 0.22 -0.21 0.00 -0.84 0.00 0.00 61.79 60.96 3d45 h SER 496 Cb 0.36 0.20 -0.12 0.00 0.14 0.00 0.00 62.40 62.98 3d45 h SER 496 CO 0.00 -0.26 -0.41 -0.72 -1.14 0.00 0.00 176.83 174.29 3d45 s TYR 497 N -5.61 0.96 0.02 3.45 -0.85 -1.26 -3.79 117.35 110.27 3d45 s TYR 497 Ca -0.10 -1.20 0.01 0.00 -0.52 0.00 0.00 57.07 55.26 3d45 s TYR 497 Cb 0.32 -0.30 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 3d45 s TYR 497 CO 0.79 -0.82 -0.04 -0.98 -1.52 0.00 0.00 175.55 172.98 3d45 s ARG 498 N -3.93 0.32 0.02 -3.49 3.03 -0.96 -4.93 118.95 109.01 3d45 s ARG 498 Ca 0.33 -0.53 0.05 0.00 2.03 0.00 0.00 55.73 57.62 3d45 s ARG 498 Cb 0.03 -0.02 -0.03 0.00 -1.03 0.00 0.00 34.95 33.90 3d45 s ARG 498 CO 0.13 -0.01 -0.13 0.42 -1.13 0.00 0.00 175.30 174.58 3d45 s ILE 499 N -1.15 3.16 0.00 4.99 1.01 -1.26 -2.78 121.20 125.17 3d45 s ILE 499 Ca -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.53 3d45 s ILE 499 Cb -0.08 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3d45 s ILE 499 CO -0.01 0.36 0.00 0.00 0.00 0.00 0.00 174.94 175.30 3d45 n GLN 500 N 1.56 1.08 0.00 2.79 6.02 -0.51 -4.90 117.38 123.42 3d45 n GLN 500 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 3d45 n GLN 500 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 3d45 n GLN 500 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3d45 n THR 501 N 0.00 0.00 -3.68 5.09 -1.04 -1.26 -3.72 114.28 109.67 3d45 n THR 501 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 3d45 n THR 501 Cb 0.00 -0.13 -0.14 0.00 -1.82 0.00 0.00 70.33 68.24 3d45 n THR 501 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3d45 s TYR 502 N -1.93 -0.34 -2.88 -1.42 5.04 -1.26 -4.90 117.35 109.66 3d45 s TYR 502 Ca 0.00 0.84 0.23 0.00 -2.44 0.00 0.00 57.07 55.70 3d45 s TYR 502 Cb 0.00 -0.06 0.18 0.00 0.35 0.00 0.00 41.96 42.43 3d45 s TYR 502 CO 0.00 -0.30 1.23 0.00 -1.34 0.00 0.00 175.55 175.14