#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h29 n GLY 39 N 0.00 0.88 3.84 -1.23 0.00 -1.07 -5.03 105.19 102.58 1h29 n GLY 39 Ca 0.00 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 1h29 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h29 s GLU 40 N -2.79 4.01 0.10 1.61 2.12 -1.26 -4.64 118.70 117.86 1h29 s GLU 40 Ca 0.11 0.53 -0.29 0.00 0.36 0.00 0.00 54.97 55.68 1h29 s GLU 40 Cb -0.01 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.33 1h29 s GLU 40 CO 0.07 0.52 0.90 0.15 -0.54 0.00 0.00 175.26 176.36 1h29 s LYS 41 N -1.77 4.65 0.12 4.30 1.02 -1.26 -1.73 119.74 125.07 1h29 s LYS 41 Ca 0.36 1.35 0.04 0.00 0.02 0.00 0.00 55.97 57.73 1h29 s LYS 41 Cb -0.16 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 1h29 s LYS 41 CO 0.19 0.26 -0.10 1.03 -0.92 0.00 0.00 175.35 175.81 1h29 s ARG 42 N -0.13 0.95 0.00 1.68 0.52 0.22 -4.78 118.95 117.42 1h29 s ARG 42 Ca 0.44 -1.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.37 1h29 s ARG 42 Cb -0.23 -0.56 0.09 0.00 0.52 0.00 0.00 34.95 34.77 1h29 s ARG 42 CO 0.28 0.07 1.00 0.00 0.02 0.00 0.00 175.30 176.67 1h29 n ALA 43 N 0.13 2.14 -0.95 2.13 0.00 -1.26 0.17 120.51 122.87 1h29 n ALA 43 Ca -0.13 -0.95 0.09 0.00 0.00 0.00 0.00 53.44 52.45 1h29 n ALA 43 Cb 0.59 -0.14 0.14 0.00 0.00 0.00 0.00 19.45 20.04 1h29 n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h29 n ASP 44 N -0.09 2.54 -4.74 0.00 3.85 -1.26 -4.47 116.55 112.38 1h29 n ASP 44 Ca 0.04 -2.97 -0.41 0.00 -0.71 0.00 0.00 54.79 50.73 1h29 n ASP 44 Cb 0.27 -0.41 -0.03 0.00 -1.35 0.00 0.00 41.12 39.60 1h29 n ASP 44 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1h29 s LEU 45 N -2.68 4.43 -0.06 -2.12 1.43 -1.26 -0.91 118.68 117.51 1h29 s LEU 45 Ca 0.31 2.32 0.02 0.00 -1.03 0.00 0.00 54.13 55.74 1h29 s LEU 45 Cb 0.26 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.89 1h29 s LEU 45 CO 0.04 -0.47 -0.08 -0.63 0.23 0.00 0.00 176.35 175.44 1h29 s ILE 46 N 0.10 0.83 -0.63 -0.59 1.01 -0.35 -4.96 121.20 116.62 1h29 s ILE 46 Ca 0.55 -0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.69 1h29 s ILE 46 Cb -0.35 -0.80 0.07 0.00 0.01 0.00 0.00 42.46 41.39 1h29 s ILE 46 CO 0.37 0.29 0.89 -1.61 0.00 0.00 0.00 174.94 174.88 1h29 s GLU 47 N 0.84 3.11 -0.51 2.79 2.02 -1.26 -0.65 118.70 125.05 1h29 s GLU 47 Ca -0.12 -0.89 -0.28 0.00 0.02 0.00 0.00 54.97 53.70 1h29 s GLU 47 Cb -0.15 -4.21 -0.00 0.00 0.10 0.00 0.00 34.13 29.87 1h29 s GLU 47 CO 0.01 -1.69 1.58 0.42 0.02 0.00 0.00 175.26 175.60 1h29 s ILE 48 N 3.67 3.65 -0.08 -1.63 1.01 0.63 -4.73 121.20 123.72 1h29 s ILE 48 Ca 0.20 0.57 0.24 0.00 0.00 0.00 0.00 60.65 61.66 1h29 s ILE 48 Cb -0.18 -4.15 0.45 0.00 0.01 0.00 0.00 42.46 38.59 1h29 s ILE 48 CO 0.10 -0.91 1.16 0.61 0.00 0.00 0.00 174.94 175.90 1h29 n GLY 49 N 5.36 1.64 0.27 6.18 0.00 -1.26 -1.32 105.19 116.06 1h29 n GLY 49 Ca 0.17 -0.98 0.04 0.00 0.00 0.00 0.00 46.02 45.25 1h29 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h29 h ALA 50 N 1.40 1.69 0.00 4.61 0.00 -2.01 -2.25 119.26 122.71 1h29 h ALA 50 Ca -0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1h29 h ALA 50 Cb 1.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1h29 h ALA 50 CO 0.13 0.24 -0.17 0.52 0.00 0.00 0.00 179.25 179.96 1h29 h MET 51 N 0.29 0.00 -0.05 0.00 2.86 -1.96 -3.05 114.93 113.03 1h29 h MET 51 Ca 0.07 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1h29 h MET 51 Cb 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1h29 h MET 51 CO -0.00 0.17 0.13 1.49 1.06 0.00 0.00 176.91 179.76 1h29 h GLU 52 N 0.00 0.00 -0.73 1.72 4.81 -1.60 0.29 114.58 119.07 1h29 h GLU 52 Ca -0.00 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 1h29 h GLU 52 Cb 0.52 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1h29 h GLU 52 CO 0.02 0.00 0.51 -0.09 -0.73 0.00 0.00 179.01 178.73 1h29 h ARG 53 N 0.00 0.12 0.00 1.92 2.43 -1.74 -3.04 114.38 114.08 1h29 h ARG 53 Ca 0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1h29 h ARG 53 Cb 0.29 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1h29 h ARG 53 CO -0.00 0.08 -1.50 1.19 -1.51 0.00 0.00 179.97 178.23 1h29 n PHE 54 N -4.38 0.51 -2.46 2.20 3.01 0.10 -5.06 117.46 111.38 1h29 n PHE 54 Ca 0.15 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.76 1h29 n PHE 54 Cb 0.72 -0.76 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 1h29 n PHE 54 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h29 n GLY 55 N 1.24 -1.65 3.71 1.37 0.00 -1.15 -5.04 105.19 103.66 1h29 n GLY 55 Ca -0.03 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1h29 n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h29 s LYS 56 N -1.53 4.19 0.27 1.61 2.20 -1.26 -4.36 119.74 120.86 1h29 s LYS 56 Ca 0.00 2.43 -0.29 0.00 -0.36 0.00 0.00 55.97 57.74 1h29 s LYS 56 Cb 0.00 -3.26 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 1h29 s LYS 56 CO 0.00 -0.68 1.10 -0.51 -0.36 0.00 0.00 175.35 174.90 1h29 s LEU 57 N 1.57 4.55 0.18 5.43 1.43 -1.26 -4.97 118.68 125.62 1h29 s LEU 57 Ca 0.73 2.25 0.01 0.00 -1.03 0.00 0.00 54.13 56.09 1h29 s LEU 57 Cb -0.44 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.23 1h29 s LEU 57 CO 0.32 -0.15 1.44 0.44 0.23 0.00 0.00 176.35 178.63 1h29 h ASP 58 N 3.96 0.37 -3.79 2.29 3.32 -2.03 -3.47 116.42 117.07 1h29 h ASP 58 Ca -0.46 -0.25 -0.46 0.00 0.02 0.00 0.00 57.03 55.87 1h29 h ASP 58 Cb 1.21 -0.11 -0.18 0.00 0.22 0.00 0.00 39.33 40.47 1h29 h ASP 58 CO 0.68 0.99 -0.77 -0.76 -1.72 0.00 0.00 179.24 177.66 1h29 s LEU 59 N -7.79 2.43 0.37 1.55 1.43 -1.26 -5.12 118.68 110.29 1h29 s LEU 59 Ca -0.04 -0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 51.97 1h29 s LEU 59 Cb 0.11 -0.68 -0.13 0.00 0.03 0.00 0.00 46.19 45.52 1h29 s LEU 59 CO 0.83 -0.10 0.67 -2.65 0.23 0.00 0.00 176.35 175.33 1h29 n PRO 60 N 0.37 0.71 -0.72 1.29 -0.02 -1.26 -4.96 135.00 130.41 1h29 n PRO 60 Ca -0.14 0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 1h29 n PRO 60 Cb 0.57 -1.55 0.15 0.00 -0.02 0.00 0.00 33.50 32.65 1h29 n PRO 60 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1h29 n LYS 61 N 0.64 -0.83 -3.78 -0.52 5.02 -1.26 -4.66 118.16 112.77 1h29 n LYS 61 Ca 0.12 -0.20 -0.37 0.00 -2.02 0.00 0.00 58.31 55.83 1h29 n LYS 61 Cb 0.36 -1.90 -0.13 0.00 -0.02 0.00 0.00 35.03 33.35 1h29 n LYS 61 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h29 s VAL 62 N -2.38 3.84 0.14 -0.18 1.01 -0.43 -4.02 120.40 118.37 1h29 s VAL 62 Ca 0.59 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 1h29 s VAL 62 Cb -0.19 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 1h29 s VAL 62 CO 0.66 0.05 1.62 0.00 0.00 0.00 0.00 175.10 177.43 1h29 s ALA 63 N 1.47 3.77 -0.06 5.51 0.00 -1.26 -0.27 121.76 130.92 1h29 s ALA 63 Ca 0.02 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.33 1h29 s ALA 63 Cb -0.17 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.31 1h29 s ALA 63 CO 0.02 -0.91 -0.05 0.12 0.00 0.00 0.00 175.76 174.94 1h29 s PHE 64 N 1.66 0.91 -0.46 0.00 5.36 0.18 -4.95 117.98 120.67 1h29 s PHE 64 Ca 0.72 -0.30 -0.18 0.00 -0.96 0.00 0.00 56.93 56.20 1h29 s PHE 64 Cb -0.43 -0.81 0.04 0.00 -0.34 0.00 0.00 43.02 41.48 1h29 s PHE 64 CO 0.32 -0.26 0.54 1.03 -1.46 0.00 0.00 175.22 175.39 1h29 s ARG 65 N 1.14 3.13 0.07 10.12 0.52 -1.26 -1.21 118.95 131.46 1h29 s ARG 65 Ca -0.07 -0.79 -0.17 0.00 -0.52 0.00 0.00 55.73 54.18 1h29 s ARG 65 Cb -0.14 -4.03 -0.12 0.00 0.52 0.00 0.00 34.95 31.18 1h29 s ARG 65 CO -0.01 -1.04 1.36 1.25 0.02 0.00 0.00 175.30 176.88 1h29 h HIS 66 N 8.86 0.70 -0.32 -0.53 2.76 -1.40 -2.25 115.15 122.98 1h29 h HIS 66 Ca -0.27 -0.23 -0.14 0.00 -2.20 0.00 0.00 60.37 57.53 1h29 h HIS 66 Cb 1.10 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 1h29 h HIS 66 CO 0.69 0.95 -0.38 -0.44 -1.30 0.00 0.00 177.93 177.45 1h29 h ASP 67 N 0.25 0.78 -0.62 3.26 3.32 -1.93 0.46 116.42 121.95 1h29 h ASP 67 Ca 0.02 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1h29 h ASP 67 Cb 0.87 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1h29 h ASP 67 CO 0.07 1.08 0.39 -0.61 -1.72 0.00 0.00 179.24 178.45 1h29 h GLN 68 N 0.61 0.83 -0.02 3.56 4.15 -1.93 -1.29 115.11 121.04 1h29 h GLN 68 Ca 0.05 -0.06 -0.22 0.00 0.77 0.00 0.00 58.65 59.20 1h29 h GLN 68 Cb 0.92 -0.18 0.02 0.00 0.21 0.00 0.00 27.48 28.45 1h29 h GLN 68 CO 0.08 0.57 -0.84 0.45 -1.93 0.00 0.00 178.83 177.16 1h29 h HIS 69 N 0.85 0.87 -0.60 3.99 3.86 -0.60 -2.19 115.15 121.34 1h29 h HIS 69 Ca 0.23 -0.46 -0.06 0.00 -1.16 0.00 0.00 60.37 58.91 1h29 h HIS 69 Cb -0.07 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1h29 h HIS 69 CO 0.00 1.29 0.13 1.79 0.86 0.00 0.00 177.93 182.01 1h29 h THR 70 N 0.21 1.24 0.66 2.45 1.35 -0.81 -1.73 112.91 116.29 1h29 h THR 70 Ca -0.10 -0.89 -0.03 0.00 -0.55 0.00 0.00 66.41 64.84 1h29 h THR 70 Cb 1.51 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1h29 h THR 70 CO 0.17 0.33 -0.34 0.74 -0.25 0.00 0.00 175.52 176.17 1h29 h THR 71 N 0.89 0.31 -0.31 6.82 2.02 -1.27 0.43 112.91 121.80 1h29 h THR 71 Ca 0.19 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.43 1h29 h THR 71 Cb 0.34 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 1h29 h THR 71 CO 0.00 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.81 1h29 h ALA 72 N -0.59 0.20 -0.35 6.16 0.00 -1.21 -2.06 119.26 121.41 1h29 h ALA 72 Ca -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1h29 h ALA 72 Cb 0.71 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1h29 h ALA 72 CO 0.13 -0.47 0.18 0.28 0.00 0.00 0.00 179.25 179.37 1h29 h VAL 73 N -0.01 1.15 -0.88 0.00 2.07 -1.27 0.01 116.25 117.32 1h29 h VAL 73 Ca 0.15 -0.41 0.20 0.00 0.82 0.00 0.00 66.70 67.46 1h29 h VAL 73 Cb 0.23 0.79 -0.12 0.00 -1.52 0.00 0.00 31.29 30.68 1h29 h VAL 73 CO -0.32 0.16 0.41 0.74 0.02 0.00 0.00 177.57 178.57 1h29 h THR 74 N 0.43 0.55 0.00 2.57 2.02 -0.75 -1.14 112.91 116.58 1h29 h THR 74 Ca 0.12 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1h29 h THR 74 Cb 0.09 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1h29 h THR 74 CO -0.02 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.57 1h29 n GLY 75 N -1.33 -1.35 0.03 2.16 0.00 -0.08 -1.22 105.19 103.40 1h29 n GLY 75 Ca 0.21 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1h29 n GLY 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h29 n MET 76 N -2.15 0.12 -0.87 1.61 2.81 -0.50 -4.93 117.12 113.21 1h29 n MET 76 Ca 0.03 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1h29 n MET 76 Cb 0.27 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1h29 n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h29 n GLY 77 N 1.48 0.70 1.97 3.03 0.00 -0.36 -5.06 105.19 106.96 1h29 n GLY 77 Ca 0.06 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 1h29 n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h29 n LYS 78 N -2.13 1.16 -0.25 1.61 5.02 -0.78 -5.03 118.16 117.77 1h29 n LYS 78 Ca 0.00 -1.85 0.00 0.00 -2.02 0.00 0.00 58.31 54.44 1h29 n LYS 78 Cb 0.10 0.30 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1h29 n LYS 78 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1h29 n ASP 79 N -1.67 0.00 0.06 4.39 3.85 -1.26 -3.72 116.55 118.20 1h29 n ASP 79 Ca -0.04 -0.18 0.09 0.00 -0.71 0.00 0.00 54.79 53.95 1h29 n ASP 79 Cb 0.33 0.00 0.55 0.00 -1.35 0.00 0.00 41.12 40.65 1h29 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1h29 n ALA 81 N -2.53 1.23 0.27 0.00 0.00 -1.26 -0.81 120.51 117.41 1h29 n ALA 81 Ca 0.04 0.17 0.17 0.00 0.00 0.00 0.00 53.44 53.81 1h29 n ALA 81 Cb 0.22 -1.34 0.69 0.00 0.00 0.00 0.00 19.45 19.03 1h29 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h29 h ALA 82 N 2.08 1.01 0.00 0.00 0.00 -1.77 -3.35 119.26 117.23 1h29 h ALA 82 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1h29 h ALA 82 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1h29 h ALA 82 CO 0.00 0.04 -0.56 0.00 0.00 0.00 0.00 179.25 178.73 1h29 s HIS 84 N -1.38 2.67 0.57 0.00 3.76 0.01 0.02 115.29 120.95 1h29 s HIS 84 Ca 0.00 -0.74 -0.01 0.00 -0.15 0.00 0.00 55.06 54.17 1h29 s HIS 84 Cb 0.00 -1.75 0.03 0.00 1.11 0.00 0.00 32.58 31.98 1h29 s HIS 84 CO 0.00 -0.24 0.82 0.15 -0.85 0.00 0.00 174.74 174.61 1h29 s LYS 85 N 0.17 2.54 0.14 1.40 -0.14 -1.26 -4.15 119.74 118.45 1h29 s LYS 85 Ca -0.10 -0.62 0.04 0.00 -1.36 0.00 0.00 55.97 53.93 1h29 s LYS 85 Cb -0.16 -2.43 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1h29 s LYS 85 CO 0.06 -0.77 -0.10 -1.12 -0.76 0.00 0.00 175.35 172.66 1h29 s SER 86 N -4.42 1.77 0.01 2.83 0.01 -1.26 0.41 113.70 113.05 1h29 s SER 86 Ca 0.57 -1.00 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 1h29 s SER 86 Cb -0.10 -0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 1h29 s SER 86 CO 0.40 -0.33 -0.01 1.17 0.41 0.00 0.00 173.24 174.87 1h29 n LYS 87 N -0.15 0.02 0.00 12.44 3.00 -1.04 -4.88 118.16 127.56 1h29 n LYS 87 Ca -0.11 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 1h29 n LYS 87 Cb 0.60 -0.54 0.00 0.00 0.00 0.00 0.00 35.03 35.09 1h29 n LYS 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1h29 n ASP 88 N -3.18 0.94 0.00 3.14 8.00 -1.26 -4.89 116.55 119.31 1h29 n ASP 88 Ca -0.02 -1.37 0.00 0.00 0.71 0.00 0.00 54.79 54.11 1h29 n ASP 88 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1h29 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h29 n GLY 89 N -0.19 1.53 3.66 0.44 0.00 -1.26 -5.11 105.19 104.27 1h29 n GLY 89 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1h29 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h29 s LYS 90 N 0.00 4.22 0.10 1.61 1.02 -1.26 -5.04 119.74 120.39 1h29 s LYS 90 Ca 0.00 0.55 -0.30 0.00 0.02 0.00 0.00 55.97 56.24 1h29 s LYS 90 Cb 0.00 -3.56 -0.06 0.00 -0.52 0.00 0.00 37.83 33.69 1h29 s LYS 90 CO 0.00 -0.18 1.15 1.41 -0.92 0.00 0.00 175.35 176.81 1h29 s MET 91 N 1.72 4.50 0.40 1.68 -2.45 -1.26 -2.49 119.30 121.40 1h29 s MET 91 Ca 0.27 1.74 -0.25 0.00 -1.25 0.00 0.00 55.69 56.20 1h29 s MET 91 Cb -0.16 -3.32 -0.09 0.00 1.25 0.00 0.00 34.83 32.51 1h29 s MET 91 CO 0.10 -0.12 1.13 0.45 1.05 0.00 0.00 175.02 177.63 1h29 s SER 92 N 0.62 6.60 0.00 1.11 0.15 0.17 -4.92 113.70 117.42 1h29 s SER 92 Ca 0.55 2.25 0.22 0.00 0.70 0.00 0.00 55.95 59.67 1h29 s SER 92 Cb -0.29 -2.61 0.61 0.00 -1.71 0.00 0.00 66.02 62.03 1h29 s SER 92 CO 0.31 -0.62 1.49 0.18 1.20 0.00 0.00 173.24 175.80 1h29 n LEU 93 N 0.04 2.37 -4.94 3.45 4.77 -1.26 -4.48 117.00 116.95 1h29 n LEU 93 Ca 0.04 -0.97 -0.25 0.00 -0.03 0.00 0.00 56.01 54.81 1h29 n LEU 93 Cb 0.47 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1h29 n LEU 93 CO 0.49 0.48 0.27 -0.54 -1.33 0.00 0.00 177.39 176.77 1h29 s LYS 94 N -1.73 3.38 -0.24 3.23 1.02 -1.26 -5.03 119.74 119.11 1h29 s LYS 94 Ca 0.34 -0.23 -0.21 0.00 0.02 0.00 0.00 55.97 55.89 1h29 s LYS 94 Cb 0.20 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1h29 s LYS 94 CO 0.29 -0.06 0.68 0.12 -0.92 0.00 0.00 175.35 175.46 1h29 s PHE 95 N -2.49 3.31 -1.29 3.18 5.36 -1.26 -4.49 117.98 120.30 1h29 s PHE 95 Ca 0.44 0.92 -0.12 0.00 -0.96 0.00 0.00 56.93 57.21 1h29 s PHE 95 Cb -0.10 -2.88 0.10 0.00 -0.34 0.00 0.00 43.02 39.80 1h29 s PHE 95 CO 0.39 -0.31 0.49 -1.33 -1.46 0.00 0.00 175.22 173.00 1h29 n MET 96 N 5.62 -2.88 -3.46 10.12 2.81 0.10 -4.92 117.12 124.51 1h29 n MET 96 Ca 0.01 0.35 -0.11 0.00 -1.81 0.00 0.00 57.70 56.14 1h29 n MET 96 Cb 0.49 -5.02 -0.02 0.00 -0.71 0.00 0.00 33.22 27.96 1h29 n MET 96 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1h29 s ARG 97 N -6.22 1.14 -0.07 0.03 1.70 -1.26 -4.98 118.95 109.30 1h29 s ARG 97 Ca 0.47 -0.43 0.17 0.00 -0.47 0.00 0.00 55.73 55.47 1h29 s ARG 97 Cb -0.26 0.52 -0.22 0.00 -0.57 0.00 0.00 34.95 34.42 1h29 s ARG 97 CO 0.58 -0.50 0.48 1.28 -1.08 0.00 0.00 175.30 176.06 1h29 n LEU 98 N -0.34 0.46 -4.05 -1.89 4.77 -1.26 -4.63 117.00 110.05 1h29 n LEU 98 Ca -0.14 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 1h29 n LEU 98 Cb 0.64 0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.86 1h29 n LEU 98 CO 0.12 0.31 -0.37 -1.81 -1.33 0.00 0.00 177.39 174.30 1h29 s ASP 99 N -5.60 0.54 -0.65 -1.43 1.11 -1.26 -5.02 116.67 104.37 1h29 s ASP 99 Ca -0.06 -0.72 -0.21 0.00 0.18 0.00 0.00 52.55 51.74 1h29 s ASP 99 Cb 0.08 0.12 0.09 0.00 1.07 0.00 0.00 42.92 44.27 1h29 s ASP 99 CO 0.83 -0.39 0.88 -1.81 1.18 0.00 0.00 175.17 175.86 1h29 s ASP 100 N -2.11 6.20 0.01 0.27 -0.00 -1.26 -4.92 116.67 114.87 1h29 s ASP 100 Ca -0.05 -1.21 0.07 0.00 -0.00 0.00 0.00 52.55 51.37 1h29 s ASP 100 Cb -0.03 -2.38 -0.23 0.00 -0.00 0.00 0.00 42.92 40.28 1h29 s ASP 100 CO -0.04 -1.31 0.88 0.78 -0.00 0.00 0.00 175.17 175.48 1h29 h ASN 101 N 9.39 0.09 -4.89 0.27 2.35 -1.98 -3.49 115.58 117.32 1h29 h ASN 101 Ca -0.27 -0.15 0.19 0.00 -0.55 0.00 0.00 56.30 55.53 1h29 h ASN 101 Cb 1.07 -0.03 -0.14 0.00 0.05 0.00 0.00 38.32 39.28 1h29 h ASN 101 CO 1.15 1.12 0.61 -0.94 -1.65 0.00 0.00 177.43 177.73 1h29 s SER 102 N -6.50 -0.22 0.11 5.81 1.04 -1.26 -4.99 113.70 107.69 1h29 s SER 102 Ca -0.04 -0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.09 1h29 s SER 102 Cb 0.08 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1h29 s SER 102 CO 0.83 -0.56 1.64 0.00 0.98 0.00 0.00 173.24 176.13 1h29 h ALA 103 N 2.00 0.38 -0.99 5.32 0.00 -1.94 -2.64 119.26 121.39 1h29 h ALA 103 Ca -0.21 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1h29 h ALA 103 Cb 1.22 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1h29 h ALA 103 CO 0.27 -0.00 0.66 0.00 0.00 0.00 0.00 179.25 180.18 1h29 h ALA 104 N 0.94 1.26 -0.49 0.00 0.00 -1.99 -1.44 119.26 117.54 1h29 h ALA 104 Ca 0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1h29 h ALA 104 Cb 0.22 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1h29 h ALA 104 CO -0.01 0.64 0.01 1.49 0.00 0.00 0.00 179.25 181.39 1h29 h GLU 105 N 1.34 0.86 -0.28 0.00 4.81 -1.91 -2.20 114.58 117.20 1h29 h GLU 105 Ca 0.37 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1h29 h GLU 105 Cb -0.15 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1h29 h GLU 105 CO -0.08 0.89 0.08 -0.07 -0.73 0.00 0.00 179.01 179.10 1h29 h LEU 106 N 0.72 0.42 -0.58 1.64 3.38 -1.15 -1.81 115.31 117.95 1h29 h LEU 106 Ca 0.14 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1h29 h LEU 106 Cb 0.50 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1h29 h LEU 106 CO 0.02 0.53 0.23 0.50 0.09 0.00 0.00 178.44 179.82 1h29 h LYS 107 N 0.29 0.41 -0.48 1.13 3.64 -1.19 -0.73 116.57 119.66 1h29 h LYS 107 Ca 0.09 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1h29 h LYS 107 Cb 0.27 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1h29 h LYS 107 CO -0.00 0.27 0.17 1.49 -2.27 0.00 0.00 179.45 179.11 1h29 h GLU 108 N 0.43 0.73 0.03 1.90 4.57 -1.08 -1.31 114.58 119.84 1h29 h GLU 108 Ca 0.28 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1h29 h GLU 108 Cb 0.31 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1h29 h GLU 108 CO -0.27 0.68 -0.02 0.82 -1.18 0.00 0.00 179.01 179.05 1h29 h ILE 109 N 0.63 0.97 -0.04 2.32 2.04 -0.79 0.17 117.51 122.80 1h29 h ILE 109 Ca 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 1h29 h ILE 109 Cb 0.24 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1h29 h ILE 109 CO -0.01 0.00 0.01 1.88 0.00 0.00 0.00 178.15 180.03 1h29 h TYR 110 N -0.04 0.07 -0.32 1.37 -1.99 -1.13 -2.27 116.97 112.66 1h29 h TYR 110 Ca -0.00 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1h29 h TYR 110 Cb 0.04 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1h29 h TYR 110 CO -0.08 0.25 0.07 0.45 -0.00 0.00 0.00 178.16 178.85 1h29 h HIS 111 N -0.13 0.55 -0.63 4.88 3.86 -1.20 -0.74 115.15 121.74 1h29 h HIS 111 Ca 0.01 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1h29 h HIS 111 Cb 0.22 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1h29 h HIS 111 CO -0.00 0.58 0.28 0.00 0.86 0.00 0.00 177.93 179.65 1h29 h ALA 112 N 0.90 0.82 0.10 2.45 0.00 -0.70 -2.66 119.26 120.17 1h29 h ALA 112 Ca 0.10 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 1h29 h ALA 112 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1h29 h ALA 112 CO 0.00 0.41 -1.82 -0.91 0.00 0.00 0.00 179.25 176.93 1h29 h ASN 113 N 0.88 0.33 0.49 0.00 2.35 -1.40 -2.04 115.58 116.18 1h29 h ASN 113 Ca 0.21 -0.85 -0.02 0.00 -0.55 0.00 0.00 56.30 55.09 1h29 h ASN 113 Cb 0.16 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1h29 h ASN 113 CO -0.02 1.78 -0.23 0.00 -1.65 0.00 0.00 177.43 177.30 1h29 h ILE 115 N -0.81 1.46 -0.01 0.00 2.04 -1.59 -2.84 117.51 115.76 1h29 h ILE 115 Ca -0.07 -2.32 0.03 0.00 1.00 0.00 0.00 64.86 63.50 1h29 h ILE 115 Cb 0.57 2.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.84 1h29 h ILE 115 CO 0.11 0.67 -0.45 1.23 0.00 0.00 0.00 178.15 179.71 1h29 h GLY 116 N 1.83 -0.86 1.01 5.37 0.00 -1.37 0.52 103.07 109.57 1h29 h GLY 116 Ca -0.02 0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.80 1h29 h GLY 116 CO 0.10 -0.24 0.10 0.00 0.00 0.00 0.00 176.54 176.50 1h29 h HIS 118 N 0.81 0.85 -0.42 0.00 -0.00 -1.23 -2.49 115.15 112.68 1h29 h HIS 118 Ca 0.17 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.56 1h29 h HIS 118 Cb 0.40 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1h29 h HIS 118 CO 0.03 0.51 0.24 1.15 -0.00 0.00 0.00 177.93 179.86 1h29 h THR 119 N 0.90 1.14 -0.31 2.45 2.02 0.53 -2.35 112.91 117.28 1h29 h THR 119 Ca 0.27 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1h29 h THR 119 Cb -0.04 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1h29 h THR 119 CO -0.09 0.15 0.15 0.44 0.37 0.00 0.00 175.52 176.54 1h29 h ASP 120 N 0.55 0.38 0.78 4.18 3.32 -0.90 -2.00 116.42 122.73 1h29 h ASP 120 Ca 0.15 -0.03 -0.25 0.00 0.02 0.00 0.00 57.03 56.93 1h29 h ASP 120 Cb 0.02 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1h29 h ASP 120 CO -0.03 0.33 -1.16 -0.07 -1.72 0.00 0.00 179.24 176.60 1h29 h LEU 121 N 0.43 0.24 -0.35 1.55 3.38 -1.30 -1.88 115.31 117.37 1h29 h LEU 121 Ca 0.11 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1h29 h LEU 121 Cb 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1h29 h LEU 121 CO -0.02 1.20 -0.08 0.00 0.09 0.00 0.00 178.44 179.63 1h29 h ALA 122 N 0.76 0.49 -0.51 1.53 0.00 -1.11 0.56 119.26 120.98 1h29 h ALA 122 Ca -0.09 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1h29 h ALA 122 Cb 1.89 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1h29 h ALA 122 CO 0.17 0.34 0.29 0.87 0.00 0.00 0.00 179.25 180.92 1h29 h LYS 123 N 0.47 0.57 0.00 0.00 1.57 -1.35 -1.89 116.57 115.94 1h29 h LYS 123 Ca 0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1h29 h LYS 123 Cb 0.59 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1h29 h LYS 123 CO 0.03 0.37 0.00 0.00 -0.57 0.00 0.00 179.45 179.29 1h29 n ALA 124 N -2.28 2.52 -1.10 3.86 0.00 -0.71 -4.89 120.51 117.90 1h29 n ALA 124 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1h29 n ALA 124 Cb 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1h29 n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h29 n GLY 125 N 0.96 0.62 3.93 0.00 0.00 -0.24 -5.04 105.19 105.42 1h29 n GLY 125 Ca 0.19 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 1h29 n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h29 s LYS 126 N -2.31 3.21 -0.20 1.61 3.01 0.18 -5.00 119.74 120.24 1h29 s LYS 126 Ca 0.00 -0.91 -0.40 0.00 -1.01 0.00 0.00 55.97 53.64 1h29 s LYS 126 Cb 0.00 -2.77 -0.17 0.00 -1.01 0.00 0.00 37.83 33.88 1h29 s LYS 126 CO 0.00 0.34 1.58 1.17 0.51 0.00 0.00 175.35 178.95 1h29 n LYS 127 N -1.39 0.91 -4.03 1.68 4.81 -1.26 -4.39 118.16 114.49 1h29 n LYS 127 Ca -0.07 0.33 -0.10 0.00 -0.87 0.00 0.00 58.31 57.61 1h29 n LYS 127 Cb 0.58 -1.97 -0.07 0.00 0.02 0.00 0.00 35.03 33.59 1h29 n LYS 127 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1h29 s THR 128 N 2.48 0.02 0.29 3.15 -1.32 -1.26 -4.91 115.64 114.09 1h29 s THR 128 Ca 0.95 -1.53 0.02 0.00 -1.21 0.00 0.00 61.69 59.92 1h29 s THR 128 Cb -1.12 -2.13 0.05 0.00 -1.51 0.00 0.00 72.50 67.80 1h29 s THR 128 CO 0.63 -0.11 0.40 0.61 -2.21 0.00 0.00 174.62 173.93 1h29 n GLY 129 N -0.29 1.20 3.72 6.08 0.00 -1.26 -5.05 105.19 109.58 1h29 n GLY 129 Ca -0.03 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 1h29 n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h29 n PRO 130 N -1.70 1.49 -2.97 1.61 -0.02 -1.26 -4.87 135.00 127.28 1h29 n PRO 130 Ca 0.07 0.55 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 1h29 n PRO 130 Cb 0.26 -2.49 0.02 0.00 -0.02 0.00 0.00 33.50 31.26 1h29 n PRO 130 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1h29 s GLN 131 N -2.89 2.91 0.00 -0.52 -1.52 -1.26 -4.79 119.66 111.60 1h29 s GLN 131 Ca 0.73 -0.72 0.00 0.00 -1.95 0.00 0.00 55.36 53.42 1h29 s GLN 131 Cb -0.42 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.77 1h29 s GLN 131 CO 0.48 -0.34 0.00 -0.25 -0.25 0.00 0.00 175.29 174.93 1h29 n ASP 132 N -2.06 0.00 -1.38 5.90 8.00 -1.26 -1.10 116.55 124.64 1h29 n ASP 132 Ca 0.03 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.63 1h29 n ASP 132 Cb 0.58 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 42.01 1h29 n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h29 n GLY 133 N 0.00 2.71 2.38 0.44 0.00 -1.26 -4.55 105.19 104.91 1h29 n GLY 133 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 1h29 n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h29 n GLU 134 N 1.21 2.35 -0.37 1.61 1.02 -0.26 -4.79 120.64 121.41 1h29 n GLU 134 Ca 0.24 -2.52 -0.00 0.00 -0.02 0.00 0.00 57.16 54.86 1h29 n GLU 134 Cb 0.74 -2.05 0.05 0.00 -0.02 0.00 0.00 31.44 30.17 1h29 n GLU 134 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h29 h ARG 136 N 0.00 0.00 0.00 0.00 2.43 -1.87 0.24 114.38 115.18 1h29 h ARG 136 Ca 0.36 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.50 1h29 h ARG 136 Cb 0.60 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1h29 h ARG 136 CO -0.98 0.05 -0.12 0.77 -1.51 0.00 0.00 179.97 178.19 1h29 h SER 137 N 0.00 0.00 0.00 -3.80 0.02 -0.63 -3.06 113.55 106.08 1h29 h SER 137 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1h29 h SER 137 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1h29 h SER 137 CO 0.01 0.12 -0.92 0.00 -1.14 0.00 0.00 176.83 174.90 1h29 n HIS 139 N -4.52 3.46 -3.68 0.00 8.25 0.80 -3.99 115.22 115.53 1h29 n HIS 139 Ca -0.18 -2.94 -0.39 0.00 -0.26 0.00 0.00 57.72 53.95 1h29 n HIS 139 Cb 0.45 -2.53 -0.12 0.00 1.12 0.00 0.00 29.99 28.91 1h29 n HIS 139 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1h29 s ASN 140 N 3.24 5.45 0.52 0.41 3.84 -1.16 -4.47 114.94 122.77 1h29 s ASN 140 Ca 0.48 -0.77 0.30 0.00 0.21 0.00 0.00 52.86 53.08 1h29 s ASN 140 Cb 0.14 -1.96 1.06 0.00 -0.55 0.00 0.00 41.25 39.94 1h29 s ASN 140 CO -0.08 -0.26 1.87 1.55 -2.79 0.00 0.00 177.10 177.39 1h29 h PRO 141 N 8.33 0.00 -2.14 0.43 0.14 -1.88 -3.32 132.00 133.56 1h29 h PRO 141 Ca -0.29 0.00 -0.58 0.00 0.14 0.00 0.00 66.00 65.27 1h29 h PRO 141 Cb 1.12 0.00 -0.41 0.00 0.14 0.00 0.00 31.00 31.85 1h29 h PRO 141 CO 0.62 0.00 -0.79 1.17 0.14 0.00 0.00 178.00 179.15 1h29 n LYS 142 N -3.09 2.00 -2.08 0.86 4.81 -1.26 -5.10 118.16 114.30 1h29 n LYS 142 Ca 0.02 -4.20 -0.38 0.00 -0.87 0.00 0.00 58.31 52.88 1h29 n LYS 142 Cb 0.37 -1.92 0.01 0.00 0.02 0.00 0.00 35.03 33.51 1h29 n LYS 142 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1h29 s PRO 143 N -2.24 3.59 0.06 1.64 0.04 -1.25 -4.95 135.00 131.89 1h29 s PRO 143 Ca 0.40 1.98 -0.18 0.00 0.04 0.00 0.00 61.00 63.23 1h29 s PRO 143 Cb 0.19 -2.41 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 1h29 s PRO 143 CO -0.06 -0.74 1.39 1.03 0.04 0.00 0.00 177.00 178.65 1h29 h SER 144 N 1.96 0.52 -3.87 6.66 0.87 -1.98 -3.46 113.55 114.24 1h29 h SER 144 Ca -0.50 -0.46 -0.54 0.00 -1.23 0.00 0.00 61.79 59.06 1h29 h SER 144 Cb 1.26 -0.14 0.11 0.00 -0.44 0.00 0.00 62.40 63.18 1h29 h SER 144 CO 0.60 0.87 0.80 0.00 -0.53 0.00 0.00 176.83 178.56 1h29 s ALA 145 N -4.38 3.60 0.25 6.23 0.00 -1.26 -2.61 121.76 123.59 1h29 s ALA 145 Ca -0.13 1.58 0.05 0.00 0.00 0.00 0.00 51.96 53.46 1h29 s ALA 145 Cb 0.07 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1h29 s ALA 145 CO 0.78 -1.06 0.38 0.00 0.00 0.00 0.00 175.76 175.86 1h29 s ALA 146 N -0.98 3.92 -0.39 0.00 0.00 -0.71 -4.81 121.76 118.78 1h29 s ALA 146 Ca 0.54 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 1h29 s ALA 146 Cb -0.47 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 20.90 1h29 s ALA 146 CO 0.62 0.20 0.68 0.45 0.00 0.00 0.00 175.76 177.71 1h29 s SER 147 N -3.99 6.41 0.00 0.00 0.15 -1.26 0.69 113.70 115.70 1h29 s SER 147 Ca 0.35 -0.01 0.25 0.00 0.70 0.00 0.00 55.95 57.24 1h29 s SER 147 Cb -0.09 -2.34 0.50 0.00 -1.71 0.00 0.00 66.02 62.38 1h29 s SER 147 CO 0.30 -0.71 1.40 -1.54 1.20 0.00 0.00 173.24 173.89 1h29 n SER 148 N 6.26 1.31 -4.51 5.45 3.41 0.45 -4.81 113.62 121.18 1h29 n SER 148 Ca -0.00 -1.06 -0.49 0.00 -0.26 0.00 0.00 58.87 57.06 1h29 n SER 148 Cb 0.48 0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.66 1h29 n SER 148 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1h29 n TRP 149 N -0.51 0.59 -3.93 7.33 -0.00 -1.21 -4.35 117.44 115.36 1h29 n TRP 149 Ca 0.11 0.83 -0.10 0.00 -0.00 0.00 0.00 57.50 58.34 1h29 n TRP 149 Cb 0.38 -2.14 -0.10 0.00 -0.00 0.00 0.00 31.31 29.45 1h29 n TRP 149 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1h29 s LYS 150 N -0.83 0.40 0.97 5.87 1.02 -0.20 -5.01 119.74 121.96 1h29 s LYS 150 Ca 0.69 -0.52 -0.12 0.00 0.02 0.00 0.00 55.97 56.04 1h29 s LYS 150 Cb -0.89 0.16 0.17 0.00 -0.52 0.00 0.00 37.83 36.74 1h29 s LYS 150 CO 0.56 -0.08 1.10 -1.83 -0.92 0.00 0.00 175.35 174.18 1h29 s GLU 151 N -1.46 0.67 -0.04 1.68 -1.05 -1.26 -4.48 118.70 112.76 1h29 s GLU 151 Ca -0.15 0.49 -0.02 0.00 -0.15 0.00 0.00 54.97 55.14 1h29 s GLU 151 Cb -0.09 -1.77 0.03 0.00 -0.44 0.00 0.00 34.13 31.86 1h29 s GLU 151 CO 0.00 -2.56 0.09 -1.50 0.95 0.00 0.00 175.26 172.24 1h29 s ILE 152 N -3.04 -0.04 0.15 1.83 2.07 -1.26 -4.95 121.20 115.96 1h29 s ILE 152 Ca 0.65 0.16 0.05 0.00 -1.41 0.00 0.00 60.65 60.10 1h29 s ILE 152 Cb -0.18 -0.15 -0.04 0.00 0.13 0.00 0.00 42.46 42.22 1h29 s ILE 152 CO 0.56 0.07 -0.11 -0.83 -1.91 0.00 0.00 174.94 172.72 1h29 s GLY 153 N 0.92 1.13 -0.47 1.50 0.00 -1.26 -5.08 107.32 104.05 1h29 s GLY 153 Ca -0.07 -1.49 -0.28 0.00 0.00 0.00 0.00 44.72 42.87 1h29 s GLY 153 CO -0.04 -1.59 1.43 -1.36 0.00 0.00 0.00 173.10 171.55 1h29 s PHE 154 N -3.09 2.32 0.86 1.90 0.40 -1.26 -4.98 117.98 114.13 1h29 s PHE 154 Ca 0.17 0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 56.98 1h29 s PHE 154 Cb 0.01 -4.33 0.11 0.00 0.51 0.00 0.00 43.02 39.31 1h29 s PHE 154 CO 0.02 -2.01 1.11 0.16 0.70 0.00 0.00 175.22 175.21 1h29 s ASP 155 N 4.29 3.94 0.29 1.36 -4.77 -1.26 -4.77 116.67 115.75 1h29 s ASP 155 Ca 0.59 1.18 -0.02 0.00 -3.30 0.00 0.00 52.55 50.99 1h29 s ASP 155 Cb -0.13 -1.84 0.63 0.00 -1.09 0.00 0.00 42.92 40.49 1h29 s ASP 155 CO 0.30 -2.31 1.57 0.50 0.70 0.00 0.00 175.17 175.93 1h29 h LYS 156 N -1.32 0.01 -0.37 2.11 3.64 -1.95 -0.81 116.57 117.88 1h29 h LYS 156 Ca -0.49 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 1h29 h LYS 156 Cb 1.30 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1h29 h LYS 156 CO 0.60 0.00 0.04 1.03 -2.27 0.00 0.00 179.45 178.85 1h29 h SER 157 N 0.01 0.60 0.33 4.20 0.87 -1.92 -1.28 113.55 116.36 1h29 h SER 157 Ca 0.55 -0.28 -0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1h29 h SER 157 Cb 1.02 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1h29 h SER 157 CO -0.95 0.73 -0.59 0.25 -0.53 0.00 0.00 176.83 175.74 1h29 h LEU 158 N 0.45 0.30 0.18 2.23 5.85 -1.63 -0.76 115.31 121.93 1h29 h LEU 158 Ca 0.11 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1h29 h LEU 158 Cb 0.40 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1h29 h LEU 158 CO 0.01 0.82 -0.08 -0.74 -0.34 0.00 0.00 178.44 178.11 1h29 h HIS 159 N 0.20 -0.22 -0.81 1.25 2.76 -1.12 -2.92 115.15 114.29 1h29 h HIS 159 Ca -0.00 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1h29 h HIS 159 Cb 1.09 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 30.07 1h29 h HIS 159 CO 0.02 0.05 0.53 -0.92 -1.30 0.00 0.00 177.93 176.32 1h29 h TYR 160 N -0.48 0.93 -0.28 5.26 5.03 -1.08 -0.92 116.97 125.42 1h29 h TYR 160 Ca -0.02 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1h29 h TYR 160 Cb 0.37 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1h29 h TYR 160 CO 0.01 0.51 0.19 0.00 -1.32 0.00 0.00 178.16 177.54 1h29 h ARG 161 N 0.93 0.36 0.12 1.82 3.08 -1.07 -1.06 114.38 118.57 1h29 h ARG 161 Ca 0.34 -0.02 -0.30 0.00 0.07 0.00 0.00 59.98 60.07 1h29 h ARG 161 Cb 0.14 -0.08 0.03 0.00 0.08 0.00 0.00 29.97 30.14 1h29 h ARG 161 CO -0.11 0.24 -1.25 0.45 -1.07 0.00 0.00 179.97 178.23 1h29 h HIS 162 N 0.37 0.98 -0.62 3.04 3.86 -1.03 -3.14 115.15 118.61 1h29 h HIS 162 Ca 0.10 -0.62 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1h29 h HIS 162 Cb -0.03 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 1h29 h HIS 162 CO -0.00 1.46 0.40 0.28 0.86 0.00 0.00 177.93 180.93 1h29 h VAL 163 N 0.26 1.16 -0.55 2.45 2.07 -0.23 -2.72 116.25 118.69 1h29 h VAL 163 Ca -0.18 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1h29 h VAL 163 Cb 1.92 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1h29 h VAL 163 CO 0.24 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.99 1h29 n ALA 164 N -2.44 2.39 -2.65 1.67 0.00 -0.50 -4.77 120.51 114.21 1h29 n ALA 164 Ca 0.06 -1.15 -0.43 0.00 0.00 0.00 0.00 53.44 51.93 1h29 n ALA 164 Cb 0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 1h29 n ALA 164 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1h29 s SER 165 N -1.22 7.16 0.00 0.00 0.15 -1.03 -4.91 113.70 113.85 1h29 s SER 165 Ca 0.43 1.50 0.17 0.00 0.70 0.00 0.00 55.95 58.75 1h29 s SER 165 Cb 0.24 -2.55 0.82 0.00 -1.71 0.00 0.00 66.02 62.82 1h29 s SER 165 CO 0.32 -0.56 1.52 0.29 1.20 0.00 0.00 173.24 176.01 1h29 n LYS 166 N 5.59 0.17 0.11 5.44 4.76 -1.26 -2.33 118.16 130.65 1h29 n LYS 166 Ca 0.10 0.15 0.01 0.00 -2.87 0.00 0.00 58.31 55.70 1h29 n LYS 166 Cb 0.47 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.15 1h29 n LYS 166 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h29 h ALA 167 N 2.74 0.63 -2.17 7.82 0.00 -1.94 -3.40 119.26 122.93 1h29 h ALA 167 Ca 0.00 -0.58 -0.74 0.00 0.00 0.00 0.00 54.91 53.59 1h29 h ALA 167 Cb 0.20 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 17.73 1h29 h ALA 167 CO 0.00 0.76 0.05 0.42 0.00 0.00 0.00 179.25 180.47 1h29 s ILE 168 N -2.92 5.13 0.48 0.00 1.01 -0.98 -5.03 121.20 118.89 1h29 s ILE 168 Ca 0.03 -1.55 -0.21 0.00 0.00 0.00 0.00 60.65 58.92 1h29 s ILE 168 Cb 0.08 -4.46 -0.08 0.00 0.01 0.00 0.00 42.46 38.02 1h29 s ILE 168 CO 0.76 -1.04 1.09 -0.54 0.00 0.00 0.00 174.94 175.22 1h29 s LYS 169 N 1.74 3.71 0.81 2.79 -0.14 -1.26 -4.84 119.74 122.56 1h29 s LYS 169 Ca 0.11 1.55 -0.13 0.00 -1.36 0.00 0.00 55.97 56.15 1h29 s LYS 169 Cb -0.22 -2.20 0.08 0.00 -1.68 0.00 0.00 37.83 33.81 1h29 s LYS 169 CO 0.01 -0.54 1.19 -2.14 -0.76 0.00 0.00 175.35 173.11 1h29 s PRO 170 N -3.02 1.66 -0.14 -1.68 0.02 -1.26 -4.75 135.00 125.83 1h29 s PRO 170 Ca 0.67 1.69 -0.06 0.00 0.02 0.00 0.00 61.00 63.31 1h29 s PRO 170 Cb -0.22 -1.79 0.06 0.00 0.02 0.00 0.00 34.50 32.57 1h29 s PRO 170 CO 0.26 -2.18 0.30 0.54 -0.33 0.00 0.00 177.00 175.59 1h29 s VAL 171 N -2.25 -0.29 0.00 3.83 0.11 -1.15 -4.85 120.40 115.80 1h29 s VAL 171 Ca 0.71 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.97 1h29 s VAL 171 Cb -0.27 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1h29 s VAL 171 CO 0.51 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 1h29 n GLY 172 N 4.91 0.48 3.27 6.54 0.00 -1.26 -4.46 105.19 114.66 1h29 n GLY 172 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1h29 n GLY 172 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h29 s ASP 173 N -2.22 -0.33 0.33 1.61 -1.08 -1.26 -5.05 116.67 108.66 1h29 s ASP 173 Ca 0.00 0.51 0.10 0.00 -0.52 0.00 0.00 52.55 52.64 1h29 s ASP 173 Cb 0.00 0.60 0.97 0.00 -1.46 0.00 0.00 42.92 43.03 1h29 s ASP 173 CO 0.00 -0.26 1.64 -0.65 0.52 0.00 0.00 175.17 176.42 1h29 h PRO 174 N 4.86 0.21 0.00 4.34 0.11 -1.97 -3.41 132.00 136.13 1h29 h PRO 174 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1h29 h PRO 174 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1h29 h PRO 174 CO 0.32 0.14 -0.56 0.94 -0.21 0.00 0.00 178.00 178.63 1h29 n GLN 175 N -5.18 0.00 -1.60 1.05 7.27 -1.26 -4.93 117.38 112.73 1h29 n GLN 175 Ca 0.28 0.00 -0.48 0.00 0.07 0.00 0.00 57.00 56.88 1h29 n GLN 175 Cb 0.91 -0.37 -0.04 0.00 2.41 0.00 0.00 30.24 33.15 1h29 n GLN 175 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1h29 n LYS 176 N -2.65 1.33 -0.24 3.69 5.02 -1.26 -4.48 118.16 119.57 1h29 n LYS 176 Ca 0.00 0.47 0.06 0.00 -2.02 0.00 0.00 58.31 56.83 1h29 n LYS 176 Cb 0.28 -2.00 0.17 0.00 -0.02 0.00 0.00 35.03 33.46 1h29 n LYS 176 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1h29 n ASN 177 N 2.03 3.08 -0.33 4.39 0.23 -1.26 -2.93 115.26 120.48 1h29 n ASN 177 Ca 0.14 -2.45 0.16 0.00 -0.53 0.00 0.00 54.58 51.90 1h29 n ASN 177 Cb 0.26 -0.33 0.35 0.00 -2.08 0.00 0.00 39.78 37.98 1h29 n ASN 177 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1h29 h GLY 179 N 0.50 0.00 2.00 0.00 0.00 -1.79 -1.98 103.07 101.80 1h29 h GLY 179 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1h29 h GLY 179 CO -0.50 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.04 1h29 h ALA 180 N 1.66 1.00 0.00 3.60 0.00 -1.65 -3.34 119.26 120.53 1h29 h ALA 180 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h29 h ALA 180 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1h29 h ALA 180 CO -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 179.25 178.75 1h29 s HIS 182 N -1.40 3.38 0.06 0.00 3.76 -0.77 -5.09 115.29 115.23 1h29 s HIS 182 Ca 0.00 0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 55.17 1h29 s HIS 182 Cb 0.00 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 1h29 s HIS 182 CO 0.00 0.46 0.04 -3.38 -0.85 0.00 0.00 174.74 171.01 1h29 s HIS 183 N -0.44 0.39 0.18 1.40 -3.43 -1.26 -4.29 115.29 107.84 1h29 s HIS 183 Ca 0.10 -0.88 0.07 0.00 -0.80 0.00 0.00 55.06 53.55 1h29 s HIS 183 Cb -0.12 -0.27 -0.05 0.00 -1.43 0.00 0.00 32.58 30.71 1h29 s HIS 183 CO 0.02 -0.42 -0.13 0.14 -2.00 0.00 0.00 174.74 172.34 1h29 s VAL 184 N -3.78 1.54 -0.16 -5.38 -7.23 0.18 -4.74 120.40 100.83 1h29 s VAL 184 Ca 0.05 -2.16 -0.24 0.00 -1.81 0.00 0.00 61.98 57.82 1h29 s VAL 184 Cb 0.06 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 1h29 s VAL 184 CO -0.10 -0.65 0.76 -0.47 -0.31 0.00 0.00 175.10 174.34 1h29 s TYR 185 N -3.10 3.43 -0.73 2.82 6.14 -1.26 -1.85 117.35 122.80 1h29 s TYR 185 Ca 0.20 1.18 -0.07 0.00 0.64 0.00 0.00 57.07 59.02 1h29 s TYR 185 Cb 0.00 -2.93 0.19 0.00 0.42 0.00 0.00 41.96 39.64 1h29 s TYR 185 CO 0.05 -0.18 0.60 0.34 0.64 0.00 0.00 175.55 177.00 1h29 s ASP 186 N 1.12 5.92 0.00 4.32 2.15 -0.09 -4.91 116.67 125.18 1h29 s ASP 186 Ca 0.36 -2.86 0.25 0.00 0.43 0.00 0.00 52.55 50.72 1h29 s ASP 186 Cb -0.17 -2.01 1.46 0.00 -0.30 0.00 0.00 42.92 41.90 1h29 s ASP 186 CO 0.13 -0.44 1.83 -0.62 -0.17 0.00 0.00 175.17 175.91 1h29 n GLU 187 N 3.59 0.74 0.10 4.34 4.71 -1.26 0.10 120.64 132.96 1h29 n GLU 187 Ca 0.11 0.01 0.13 0.00 -0.01 0.00 0.00 57.16 57.40 1h29 n GLU 187 Cb 0.41 -1.50 0.33 0.00 -1.01 0.00 0.00 31.44 29.67 1h29 n GLU 187 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1h29 h ALA 188 N 3.51 0.88 0.00 0.62 0.00 -1.93 -3.28 119.26 119.07 1h29 h ALA 188 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h29 h ALA 188 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1h29 h ALA 188 CO 0.00 0.00 -0.17 0.43 0.00 0.00 0.00 179.25 179.51 1h29 n SER 189 N -2.26 0.36 -2.24 0.00 7.64 -0.79 -5.02 113.62 111.31 1h29 n SER 189 Ca 0.05 -1.57 -0.01 0.00 1.01 0.00 0.00 58.87 58.35 1h29 n SER 189 Cb 0.44 -0.10 -0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1h29 n SER 189 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1h29 n LYS 190 N -0.15 -2.60 -4.65 1.43 2.85 0.28 -4.91 118.16 110.42 1h29 n LYS 190 Ca 0.01 0.05 -0.28 0.00 -1.05 0.00 0.00 58.31 57.04 1h29 n LYS 190 Cb 0.55 -4.47 -0.14 0.00 -0.65 0.00 0.00 35.03 30.32 1h29 n LYS 190 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1h29 s LYS 191 N -4.49 1.54 0.26 -1.58 1.02 -0.09 -4.89 119.74 111.51 1h29 s LYS 191 Ca 0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 55.97 54.55 1h29 s LYS 191 Cb 0.00 -1.80 -0.10 0.00 -0.52 0.00 0.00 37.83 35.41 1h29 s LYS 191 CO 0.00 0.45 1.32 -0.51 -0.92 0.00 0.00 175.35 175.69 1h29 s LEU 192 N -1.52 4.42 0.02 3.17 1.43 -1.26 -0.92 118.68 124.03 1h29 s LEU 192 Ca 0.11 2.55 -0.02 0.00 -1.03 0.00 0.00 54.13 55.74 1h29 s LEU 192 Cb -0.10 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1h29 s LEU 192 CO 0.03 -0.54 0.01 -0.69 0.23 0.00 0.00 176.35 175.40 1h29 s VAL 193 N -0.47 0.13 -0.07 -1.59 1.01 -0.77 -4.91 120.40 113.72 1h29 s VAL 193 Ca 0.53 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1h29 s VAL 193 Cb -0.38 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1h29 s VAL 193 CO 0.45 -0.57 1.35 0.86 0.00 0.00 0.00 175.10 177.19 1h29 s TRP 194 N -1.99 2.80 -0.87 5.22 -0.00 -1.26 -0.64 118.94 122.19 1h29 s TRP 194 Ca -0.11 0.87 -0.17 0.00 -0.00 0.00 0.00 56.10 56.69 1h29 s TRP 194 Cb -0.06 -3.60 0.16 0.00 -0.00 0.00 0.00 33.47 29.97 1h29 s TRP 194 CO -0.03 -2.18 0.98 0.20 -0.00 0.00 0.00 176.95 175.92 1h29 s GLY 195 N 2.03 2.14 -0.46 5.86 0.00 -1.26 -4.86 107.32 110.78 1h29 s GLY 195 Ca 0.61 -2.89 -0.45 0.00 0.00 0.00 0.00 44.72 41.99 1h29 s GLY 195 CO 0.22 1.74 1.72 0.28 0.00 0.00 0.00 173.10 177.07 1h29 n LYS 196 N 5.73 0.24 -1.05 2.90 5.02 -1.26 -0.37 118.16 129.37 1h29 n LYS 196 Ca 0.18 0.08 -0.02 0.00 -2.02 0.00 0.00 58.31 56.54 1h29 n LYS 196 Cb 0.48 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.85 1h29 n LYS 196 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1h29 n ASN 197 N 4.92 -4.06 -0.45 4.39 3.02 -1.26 -4.85 115.26 116.97 1h29 n ASN 197 Ca 0.34 0.04 0.07 0.00 -0.03 0.00 0.00 54.58 55.00 1h29 n ASN 197 Cb -0.02 -1.71 0.16 0.00 -0.61 0.00 0.00 39.78 37.60 1h29 n ASN 197 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1h29 n LYS 198 N -1.83 2.48 -2.29 3.52 4.01 0.50 -4.88 118.16 119.66 1h29 n LYS 198 Ca -0.02 -2.36 -0.39 0.00 -0.51 0.00 0.00 58.31 55.04 1h29 n LYS 198 Cb 0.20 -1.47 -0.02 0.00 -0.51 0.00 0.00 35.03 33.22 1h29 n LYS 198 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1h29 s GLU 199 N -2.12 4.15 0.25 1.97 8.01 -1.25 -4.93 118.70 124.78 1h29 s GLU 199 Ca 0.28 1.87 -0.11 0.00 0.01 0.00 0.00 54.97 57.02 1h29 s GLU 199 Cb 0.22 -2.77 -0.01 0.00 -4.31 0.00 0.00 34.13 27.26 1h29 s GLU 199 CO 0.07 -0.25 0.45 0.34 0.01 0.00 0.00 175.26 175.88 1h29 s ASP 200 N -1.04 -0.04 0.55 -0.19 -1.08 -1.26 -4.94 116.67 108.68 1h29 s ASP 200 Ca 0.55 -0.99 -0.20 0.00 -0.52 0.00 0.00 52.55 51.39 1h29 s ASP 200 Cb -0.32 0.57 -0.07 0.00 -1.46 0.00 0.00 42.92 41.65 1h29 s ASP 200 CO 0.40 -1.12 0.88 -0.24 0.52 0.00 0.00 175.17 175.61 1h29 n SER 201 N -0.41 0.47 0.30 -0.34 2.88 -1.26 -4.85 113.62 110.40 1h29 n SER 201 Ca -0.01 0.84 0.19 0.00 -1.33 0.00 0.00 58.87 58.56 1h29 n SER 201 Cb 0.62 -1.33 0.88 0.00 -0.75 0.00 0.00 64.21 63.63 1h29 n SER 201 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h29 h ARG 203 N 0.00 0.00 -0.09 0.00 3.08 -1.89 0.58 114.38 116.05 1h29 h ARG 203 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1h29 h ARG 203 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1h29 h ARG 203 CO 0.00 0.00 -0.30 0.00 -1.07 0.00 0.00 179.97 178.60 1h29 h ALA 204 N 2.05 1.34 0.00 0.04 0.00 -1.59 -3.36 119.26 117.74 1h29 h ALA 204 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1h29 h ALA 204 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1h29 h ALA 204 CO 0.00 0.46 -0.22 0.00 0.00 0.00 0.00 179.25 179.49 1h29 s HIS 206 N -0.89 2.85 0.00 0.00 3.76 0.16 -4.91 115.29 116.26 1h29 s HIS 206 Ca 0.00 -1.50 0.00 0.00 -0.15 0.00 0.00 55.06 53.41 1h29 s HIS 206 Cb 0.00 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.72 1h29 s HIS 206 CO 0.00 -0.75 0.00 0.41 -0.85 0.00 0.00 174.74 173.55 1h29 n GLY 207 N 4.66 3.17 0.14 -2.22 0.00 -1.26 -4.17 105.19 105.51 1h29 n GLY 207 Ca -0.20 -1.96 0.01 0.00 0.00 0.00 0.00 46.02 43.87 1h29 n GLY 207 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h29 h GLU 208 N 0.00 0.00 -4.16 1.61 4.81 -1.96 -0.21 114.58 114.67 1h29 h GLU 208 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1h29 h GLU 208 Cb 0.00 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.23 1h29 h GLU 208 CO 0.00 0.57 -0.63 0.15 -0.73 0.00 0.00 179.01 178.37 1h29 s LYS 209 N -3.43 0.63 0.22 1.92 1.02 -1.26 -4.87 119.74 113.97 1h29 s LYS 209 Ca -0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 55.97 54.55 1h29 s LYS 209 Cb 0.11 0.22 -0.09 0.00 -0.52 0.00 0.00 37.83 37.56 1h29 s LYS 209 CO 0.74 -0.13 1.22 -1.25 -0.92 0.00 0.00 175.35 175.01 1h29 s PRO 210 N -3.78 4.48 -0.07 -1.68 0.04 -1.26 -4.35 135.00 128.39 1h29 s PRO 210 Ca 0.05 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.06 1h29 s PRO 210 Cb 0.07 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.42 1h29 s PRO 210 CO -0.10 -0.09 -0.13 0.08 0.04 0.00 0.00 177.00 176.81 1h29 s VAL 211 N -0.32 1.16 0.00 -0.36 1.01 -1.01 -4.94 120.40 115.94 1h29 s VAL 211 Ca 0.52 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1h29 s VAL 211 Cb -0.34 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1h29 s VAL 211 CO 0.40 0.36 0.00 0.47 0.00 0.00 0.00 175.10 176.33 1h29 n ASP 212 N 3.81 0.00 -0.96 3.32 8.00 -1.26 -1.75 116.55 127.71 1h29 n ASP 212 Ca -0.23 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.37 1h29 n ASP 212 Cb 0.52 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.79 1h29 n ASP 212 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1h29 n LYS 213 N 14.00 2.26 -3.16 -1.24 4.01 -1.26 -4.93 118.16 127.84 1h29 n LYS 213 Ca 0.00 -2.08 -0.40 0.00 -0.51 0.00 0.00 58.31 55.32 1h29 n LYS 213 Cb 0.00 -1.43 -0.06 0.00 -0.51 0.00 0.00 35.03 33.03 1h29 n LYS 213 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1h29 s ARG 214 N -1.32 4.19 0.59 1.97 0.52 -0.71 -5.06 118.95 119.13 1h29 s ARG 214 Ca 0.32 0.54 -0.17 0.00 -0.52 0.00 0.00 55.73 55.90 1h29 s ARG 214 Cb 0.19 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 1h29 s ARG 214 CO 0.26 -0.23 1.11 -2.14 0.02 0.00 0.00 175.30 174.32 1h29 s PRO 215 N 1.89 3.18 0.89 3.54 0.02 -1.26 -2.41 135.00 140.84 1h29 s PRO 215 Ca 0.27 1.47 -0.12 0.00 0.02 0.00 0.00 61.00 62.64 1h29 s PRO 215 Cb -0.16 -1.99 0.09 0.00 0.02 0.00 0.00 34.50 32.46 1h29 s PRO 215 CO 0.10 -0.96 0.93 0.00 -0.33 0.00 0.00 177.00 176.74 1h29 n ALA 216 N -1.77 -1.12 0.14 -1.55 0.00 -1.26 -4.39 120.51 110.56 1h29 n ALA 216 Ca 0.11 -0.49 -0.16 0.00 0.00 0.00 0.00 53.44 52.89 1h29 n ALA 216 Cb 0.52 -2.09 -0.09 0.00 0.00 0.00 0.00 19.45 17.79 1h29 n ALA 216 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1h29 h LEU 217 N -1.47 -1.47 0.00 0.00 5.85 -1.19 0.10 115.31 117.13 1h29 h LEU 217 Ca -0.44 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1h29 h LEU 217 Cb 1.29 0.54 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1h29 h LEU 217 CO 0.41 -0.56 0.00 -0.67 -0.34 0.00 0.00 178.44 177.28 1h29 n ASP 218 N -5.50 0.00 -0.11 1.25 4.64 -1.26 -0.67 116.55 114.90 1h29 n ASP 218 Ca -0.09 0.00 -0.03 0.00 -1.38 0.00 0.00 54.79 53.29 1h29 n ASP 218 Cb 0.41 0.00 0.19 0.00 -1.04 0.00 0.00 41.12 40.69 1h29 n ASP 218 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 1h29 h THR 219 N 0.00 1.23 -0.21 5.18 2.02 -1.73 -1.88 112.91 117.52 1h29 h THR 219 Ca 0.00 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1h29 h THR 219 Cb 0.00 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1h29 h THR 219 CO 0.00 0.31 0.13 0.00 0.37 0.00 0.00 175.52 176.34 1h29 h ALA 220 N 1.34 0.26 0.01 6.16 0.00 0.35 -1.77 119.26 125.60 1h29 h ALA 220 Ca 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1h29 h ALA 220 Cb 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1h29 h ALA 220 CO 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 179.25 178.74 1h29 h ALA 221 N 1.08 0.02 -0.66 0.00 0.00 -0.71 -1.32 119.26 117.68 1h29 h ALA 221 Ca 0.08 -0.48 0.10 0.00 0.00 0.00 0.00 54.91 54.61 1h29 h ALA 221 Cb -0.03 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1h29 h ALA 221 CO -0.02 0.08 0.29 0.45 0.00 0.00 0.00 179.25 180.05 1h29 h HIS 222 N -0.54 0.51 0.14 0.00 -0.00 -1.38 0.17 115.15 114.05 1h29 h HIS 222 Ca -0.03 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1h29 h HIS 222 Cb 1.02 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.31 1h29 h HIS 222 CO 0.19 0.16 -0.07 1.15 -0.00 0.00 0.00 177.93 179.36 1h29 h THR 223 N 0.50 0.00 0.49 2.45 2.02 -1.33 -3.11 112.91 113.93 1h29 h THR 223 Ca 0.33 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 1h29 h THR 223 Cb 0.39 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1h29 h THR 223 CO -0.29 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.36 1h29 h ALA 224 N -1.91 -0.65 0.02 6.16 0.00 -1.09 -2.84 119.26 118.95 1h29 h ALA 224 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1h29 h ALA 224 Cb 0.15 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1h29 h ALA 224 CO 0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 179.25 178.45 1h29 h ILE 226 N -0.24 1.34 -0.62 0.00 2.04 -1.62 -2.11 117.51 116.29 1h29 h ILE 226 Ca -0.00 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.64 1h29 h ILE 226 Cb 0.23 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1h29 h ILE 226 CO 0.00 0.37 0.34 0.77 0.00 0.00 0.00 178.15 179.64 1h29 h SER 227 N -0.01 0.51 -0.74 1.72 4.64 -1.53 0.32 113.55 118.46 1h29 h SER 227 Ca 0.03 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1h29 h SER 227 Cb 0.65 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.63 1h29 h SER 227 CO 0.03 0.34 0.38 0.00 -0.87 0.00 0.00 176.83 176.71 1h29 h HIS 229 N 1.07 0.98 -0.14 0.00 -0.00 0.23 -1.29 115.15 116.01 1h29 h HIS 229 Ca 0.26 0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.49 1h29 h HIS 229 Cb 0.08 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 1h29 h HIS 229 CO 0.01 0.54 -0.62 0.52 -0.00 0.00 0.00 177.93 178.38 1h29 h MET 230 N 1.00 0.48 -0.20 2.45 2.86 -0.58 -1.53 114.93 119.41 1h29 h MET 230 Ca 0.34 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1h29 h MET 230 Cb 0.06 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1h29 h MET 230 CO -0.13 0.95 0.08 -0.44 1.06 0.00 0.00 176.91 178.43 1h29 h ASP 231 N 0.36 0.28 -0.28 1.22 3.32 -0.94 -3.07 116.42 117.30 1h29 h ASP 231 Ca -0.01 -0.16 -0.18 0.00 0.02 0.00 0.00 57.03 56.70 1h29 h ASP 231 Cb 1.18 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1h29 h ASP 231 CO 0.11 0.36 -0.54 0.58 -1.72 0.00 0.00 179.24 178.03 1h29 h VAL 232 N 0.18 1.27 -0.87 -1.35 2.07 -1.23 -2.91 116.25 113.41 1h29 h VAL 232 Ca 0.07 -1.72 0.23 0.00 0.82 0.00 0.00 66.70 66.10 1h29 h VAL 232 Cb 0.17 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1h29 h VAL 232 CO -0.01 0.56 0.61 0.00 0.02 0.00 0.00 177.57 178.76 1h29 h ALA 233 N 0.70 2.58 0.00 1.67 0.00 -1.27 0.29 119.26 123.22 1h29 h ALA 233 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1h29 h ALA 233 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1h29 h ALA 233 CO 0.12 -0.84 0.00 0.87 0.00 0.00 0.00 179.25 179.40 1h29 h LYS 234 N 0.15 0.00 -0.01 0.00 1.57 -1.41 -2.39 116.57 114.48 1h29 h LYS 234 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1h29 h LYS 234 Cb 1.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1h29 h LYS 234 CO -0.08 0.00 -0.15 0.25 -0.57 0.00 0.00 179.45 178.90 1h29 n THR 235 N -2.75 0.00 -1.73 -0.16 -2.24 0.99 -4.95 114.28 103.45 1h29 n THR 235 Ca 0.02 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1h29 n THR 235 Cb 0.35 0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 1h29 n THR 235 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1h29 n LYS 236 N -0.15 -1.00 -2.73 -0.78 5.02 -0.90 -5.03 118.16 112.58 1h29 n LYS 236 Ca 0.15 0.86 -0.23 0.00 -2.02 0.00 0.00 58.31 57.07 1h29 n LYS 236 Cb 0.37 -5.01 0.03 0.00 -0.02 0.00 0.00 35.03 30.40 1h29 n LYS 236 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h29 s ALA 237 N -2.57 3.68 0.29 7.82 0.00 -1.25 -5.02 121.76 124.71 1h29 s ALA 237 Ca 0.00 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 1h29 s ALA 237 Cb 0.00 -2.23 -0.12 0.00 0.00 0.00 0.00 23.12 20.77 1h29 s ALA 237 CO 0.00 -0.61 1.61 -1.91 0.00 0.00 0.00 175.76 174.85 1h29 n GLU 238 N -2.29 2.74 -3.41 0.00 2.13 -1.26 -4.61 120.64 113.94 1h29 n GLU 238 Ca 0.04 0.98 -0.14 0.00 0.66 0.00 0.00 57.16 58.70 1h29 n GLU 238 Cb 0.58 -2.77 -0.05 0.00 0.27 0.00 0.00 31.44 29.48 1h29 n GLU 238 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1h29 n THR 239 N 2.20 0.00 -2.69 6.31 5.66 -1.26 -4.92 114.28 119.57 1h29 n THR 239 Ca 0.09 -1.46 -0.23 0.00 -3.05 0.00 0.00 64.05 59.40 1h29 n THR 239 Cb 0.37 0.63 0.10 0.00 -1.55 0.00 0.00 70.33 69.88 1h29 n THR 239 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1h29 s GLY 240 N -2.47 1.75 0.51 1.09 0.00 -1.26 -5.09 107.32 101.85 1h29 s GLY 240 Ca 0.18 -1.85 -0.17 0.00 0.00 0.00 0.00 44.72 42.88 1h29 s GLY 240 CO 0.13 -1.30 0.99 -4.14 0.00 0.00 0.00 173.10 168.78 1h29 s PRO 241 N -5.05 3.95 -0.01 2.90 0.02 -1.26 -4.88 135.00 130.68 1h29 s PRO 241 Ca 0.66 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1h29 s PRO 241 Cb -0.05 -2.14 -0.00 0.00 0.02 0.00 0.00 34.50 32.33 1h29 s PRO 241 CO 0.43 -0.27 -0.01 0.28 -0.33 0.00 0.00 177.00 177.11 1h29 n VAL 242 N -1.46 0.04 -1.77 3.83 0.31 -1.26 -4.77 118.33 113.26 1h29 n VAL 242 Ca 0.07 -0.02 -0.38 0.00 -0.01 0.00 0.00 64.34 64.00 1h29 n VAL 242 Cb 0.54 -0.54 0.05 0.00 -0.91 0.00 0.00 33.84 32.98 1h29 n VAL 242 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1h29 s ASN 243 N -4.03 5.01 0.11 4.52 0.01 -1.26 -4.95 114.94 114.35 1h29 s ASN 243 Ca -0.01 2.71 -0.21 0.00 -0.71 0.00 0.00 52.86 54.64 1h29 s ASN 243 Cb 0.00 -2.63 -0.07 0.00 0.41 0.00 0.00 41.25 38.96 1h29 s ASN 243 CO 0.02 -1.74 1.71 0.00 -1.51 0.00 0.00 177.10 175.58 1h29 h ALA 245 N 1.09 1.52 -1.18 0.00 0.00 -1.93 -0.76 119.26 118.00 1h29 h ALA 245 Ca 0.06 -0.03 0.41 0.00 0.00 0.00 0.00 54.91 55.35 1h29 h ALA 245 Cb 0.11 -0.27 -0.15 0.00 0.00 0.00 0.00 17.79 17.49 1h29 h ALA 245 CO -0.13 0.37 0.72 0.78 0.00 0.00 0.00 179.25 180.99 1h29 h GLY 246 N 1.00 1.71 0.00 0.00 0.00 -1.74 -0.36 103.07 103.69 1h29 h GLY 246 Ca 0.35 -0.14 -0.24 0.00 0.00 0.00 0.00 47.33 47.30 1h29 h GLY 246 CO -0.12 -0.53 -1.89 0.00 0.00 0.00 0.00 176.54 174.00 1h29 n HIS 248 N -2.57 0.00 -2.79 0.00 8.25 -0.40 -4.72 115.22 112.99 1h29 n HIS 248 Ca -0.22 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.83 1h29 n HIS 248 Cb 0.90 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.95 1h29 n HIS 248 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h29 s ALA 249 N -1.86 3.34 0.16 -1.41 0.00 -0.17 -1.03 121.76 120.79 1h29 s ALA 249 Ca 0.06 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 1h29 s ALA 249 Cb 0.09 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 20.06 1h29 s ALA 249 CO 0.40 0.17 1.81 -1.35 0.00 0.00 0.00 175.76 176.79 1h29 h PRO 250 N 4.53 0.54 -0.90 0.00 0.11 -1.88 -1.49 132.00 132.89 1h29 h PRO 250 Ca -0.45 -0.03 0.25 0.00 0.11 0.00 0.00 66.00 65.88 1h29 h PRO 250 Cb 1.20 -0.12 -0.14 0.00 0.11 0.00 0.00 31.00 32.05 1h29 h PRO 250 CO 0.69 0.36 0.31 0.93 -0.21 0.00 0.00 178.00 180.07 1h29 h GLU 251 N 0.56 0.24 0.23 1.05 3.07 -1.94 -0.07 114.58 117.72 1h29 h GLU 251 Ca 0.16 -0.01 -0.32 0.00 -0.50 0.00 0.00 59.36 58.69 1h29 h GLU 251 Cb -0.05 -0.05 0.03 0.00 -0.84 0.00 0.00 28.75 27.84 1h29 h GLU 251 CO -0.05 0.16 -1.45 0.00 -1.40 0.00 0.00 179.01 176.28 1h29 h ALA 252 N 1.79 -0.09 -0.36 3.43 0.00 -1.77 -3.15 119.26 119.11 1h29 h ALA 252 Ca 0.59 -0.90 0.10 0.00 0.00 0.00 0.00 54.91 54.69 1h29 h ALA 252 Cb 1.21 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1h29 h ALA 252 CO -0.64 0.71 0.26 1.96 0.00 0.00 0.00 179.25 181.54 1h29 h GLN 253 N 0.05 0.05 0.00 0.00 4.20 -0.67 -0.77 115.11 117.97 1h29 h GLN 253 Ca -0.26 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1h29 h GLN 253 Cb 2.08 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.85 1h29 h GLN 253 CO 0.24 0.03 -0.51 0.00 -0.67 0.00 0.00 178.83 177.92 1h29 h ALA 254 N 1.82 0.72 0.00 3.87 0.00 -1.09 -3.32 119.26 121.26 1h29 h ALA 254 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1h29 h ALA 254 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1h29 h ALA 254 CO -0.01 0.00 -0.89 -0.22 0.00 0.00 0.00 179.25 178.13 1h29 h LYS 255 N 0.00 0.00 -6.65 0.00 3.64 -1.11 -3.48 116.57 108.97 1h29 h LYS 255 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1h29 h LYS 255 Cb 0.91 0.00 0.11 0.00 -0.41 0.00 0.00 32.23 32.84 1h29 h LYS 255 CO 0.00 0.00 0.38 1.19 -2.27 0.00 0.00 179.45 178.75 1h29 n PHE 256 N -2.56 1.94 -1.97 1.91 3.72 -0.95 -4.92 117.46 114.63 1h29 n PHE 256 Ca 0.01 0.60 -0.42 0.00 -0.05 0.00 0.00 57.45 57.59 1h29 n PHE 256 Cb 0.52 -2.36 -0.03 0.00 -0.94 0.00 0.00 39.48 36.67 1h29 n PHE 256 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1h29 s LYS 257 N -1.72 4.23 0.12 -1.08 2.20 -1.26 -5.02 119.74 117.20 1h29 s LYS 257 Ca 0.57 2.33 0.07 0.00 -0.36 0.00 0.00 55.97 58.58 1h29 s LYS 257 Cb -0.62 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1h29 s LYS 257 CO 0.61 -0.58 -0.11 0.08 -0.36 0.00 0.00 175.35 175.00 1h29 s VAL 258 N 1.07 3.30 -0.15 4.02 1.01 -1.26 -4.89 120.40 123.49 1h29 s VAL 258 Ca 0.69 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1h29 s VAL 258 Cb -0.43 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1h29 s VAL 258 CO 0.32 0.08 -0.20 -0.69 0.00 0.00 0.00 175.10 174.61 1h29 s VAL 259 N -1.27 1.96 -0.01 2.92 1.01 -1.26 -5.04 120.40 118.70 1h29 s VAL 259 Ca 0.22 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1h29 s VAL 259 Cb -0.11 -1.76 -0.19 0.00 0.00 0.00 0.00 36.38 34.32 1h29 s VAL 259 CO 0.14 0.53 1.28 0.03 0.00 0.00 0.00 175.10 177.07 1h29 h ARG 260 N 7.66 0.06 -4.48 2.72 3.08 -2.00 -3.43 114.38 117.98 1h29 h ARG 260 Ca -0.38 -0.03 -0.72 0.00 0.07 0.00 0.00 59.98 58.91 1h29 h ARG 260 Cb 1.16 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.00 1h29 h ARG 260 CO 0.58 0.53 -0.17 -1.83 -1.07 0.00 0.00 179.97 178.01 1h29 s GLU 261 N -4.25 3.02 -0.17 0.04 1.03 -1.26 -5.03 118.70 112.09 1h29 s GLU 261 Ca -0.16 -1.28 0.01 0.00 0.03 0.00 0.00 54.97 53.58 1h29 s GLU 261 Cb 0.02 -4.16 0.01 0.00 -0.80 0.00 0.00 34.13 29.20 1h29 s GLU 261 CO 0.69 -1.17 -0.19 0.08 -1.33 0.00 0.00 175.26 173.34 1h29 s VAL 262 N 2.00 2.25 0.85 1.83 1.01 -1.26 -5.11 120.40 121.96 1h29 s VAL 262 Ca 0.08 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1h29 s VAL 262 Cb -0.24 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1h29 s VAL 262 CO 0.07 0.53 0.40 -0.81 0.00 0.00 0.00 175.10 175.30 1h29 n PRO 263 N 4.37 -0.01 -1.68 2.72 -0.04 -1.26 -4.92 135.00 134.18 1h29 n PRO 263 Ca -0.20 0.04 -0.44 0.00 -0.04 0.00 0.00 63.50 62.86 1h29 n PRO 263 Cb 0.51 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1h29 n PRO 263 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1h29 n ARG 264 N -1.06 2.09 -3.20 0.54 0.63 -1.26 -4.95 116.66 109.46 1h29 n ARG 264 Ca 0.08 0.74 -0.41 0.00 -0.92 0.00 0.00 57.85 57.33 1h29 n ARG 264 Cb 0.52 -2.40 -0.07 0.00 0.45 0.00 0.00 32.46 30.96 1h29 n ARG 264 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1h29 s LEU 265 N -0.07 4.31 -0.34 6.15 2.96 -1.26 -5.02 118.68 125.40 1h29 s LEU 265 Ca 0.66 0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 54.54 1h29 s LEU 265 Cb -0.63 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 43.43 1h29 s LEU 265 CO 0.51 -0.51 0.14 -0.62 -1.32 0.00 0.00 176.35 174.55 1h29 s ASP 266 N 1.76 5.47 -0.10 3.68 -1.08 -1.26 -4.90 116.67 120.23 1h29 s ASP 266 Ca 0.21 -0.90 0.16 0.00 -0.52 0.00 0.00 52.55 51.50 1h29 s ASP 266 Cb -0.15 -1.95 0.36 0.00 -1.46 0.00 0.00 42.92 39.72 1h29 s ASP 266 CO 0.14 -0.30 1.17 -1.14 0.52 0.00 0.00 175.17 175.55 1h29 n ARG 267 N 4.92 0.82 -0.94 4.34 0.63 -1.26 -4.99 116.66 120.18 1h29 n ARG 267 Ca -0.13 -2.50 0.00 0.00 -0.92 0.00 0.00 57.85 54.31 1h29 n ARG 267 Cb 0.47 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.46 1h29 n ARG 267 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1h29 n GLY 268 N -0.48 0.50 3.72 5.14 0.00 -1.26 -4.71 105.19 108.10 1h29 n GLY 268 Ca 0.12 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1h29 n GLY 268 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h29 n GLN 269 N -2.94 1.13 -1.70 1.61 3.00 -1.26 -5.01 117.38 112.21 1h29 n GLN 269 Ca 0.00 0.44 -0.33 0.00 -0.01 0.00 0.00 57.00 57.10 1h29 n GLN 269 Cb 0.00 -2.51 0.05 0.00 0.00 0.00 0.00 30.24 27.78 1h29 n GLN 269 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1h29 s PRO 270 N -3.30 2.75 -0.09 -1.09 0.04 -1.26 -4.98 135.00 127.08 1h29 s PRO 270 Ca 0.82 1.35 -0.24 0.00 0.04 0.00 0.00 61.00 62.97 1h29 s PRO 270 Cb -0.38 -1.95 -0.29 0.00 0.04 0.00 0.00 34.50 31.92 1h29 s PRO 270 CO 0.41 -1.28 0.82 -0.44 0.04 0.00 0.00 177.00 176.55 1h29 h ASP 271 N -0.12 0.29 -3.32 6.66 3.32 -1.94 -3.37 116.42 117.94 1h29 h ASP 271 Ca -0.46 -0.96 -0.65 0.00 0.02 0.00 0.00 57.03 54.99 1h29 h ASP 271 Cb 1.24 -0.10 -0.24 0.00 0.22 0.00 0.00 39.33 40.46 1h29 h ASP 271 CO 0.54 1.27 -0.71 0.00 -1.72 0.00 0.00 179.24 178.62 1h29 s ALA 272 N -2.36 2.85 -0.02 3.45 0.00 -1.26 -0.28 121.76 124.15 1h29 s ALA 272 Ca -0.16 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 50.96 1h29 s ALA 272 Cb -0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1h29 s ALA 272 CO 0.77 0.18 -0.10 0.00 0.00 0.00 0.00 175.76 176.61 1h29 s ALA 273 N 0.44 2.88 -0.34 0.00 0.00 0.31 -4.37 121.76 120.69 1h29 s ALA 273 Ca -0.06 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.82 1h29 s ALA 273 Cb -0.15 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 21.94 1h29 s ALA 273 CO 0.04 0.59 0.12 -1.17 0.00 0.00 0.00 175.76 175.33 1h29 s LEU 274 N -1.15 4.30 -0.26 0.00 2.96 -1.26 -1.05 118.68 122.22 1h29 s LEU 274 Ca 0.15 -1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 52.91 1h29 s LEU 274 Cb -0.11 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1h29 s LEU 274 CO 0.04 -0.31 0.15 -0.63 -1.32 0.00 0.00 176.35 174.28 1h29 s ILE 275 N 1.44 5.12 0.15 6.68 1.01 -0.12 -5.02 121.20 130.47 1h29 s ILE 275 Ca -0.00 0.10 0.10 0.00 0.00 0.00 0.00 60.65 60.85 1h29 s ILE 275 Cb -0.19 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1h29 s ILE 275 CO 0.03 0.31 -0.24 -0.76 0.00 0.00 0.00 174.94 174.28 1h29 s LEU 276 N 1.43 2.37 -0.75 2.97 1.43 -1.26 -2.64 118.68 122.23 1h29 s LEU 276 Ca 0.07 -0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 52.17 1h29 s LEU 276 Cb -0.15 -1.09 -0.15 0.00 0.03 0.00 0.00 46.19 44.83 1h29 s LEU 276 CO 0.07 0.11 1.93 -0.81 0.23 0.00 0.00 176.35 177.88 1h29 n PRO 277 N 0.62 1.51 -1.98 1.29 -0.04 -1.26 -4.92 135.00 130.21 1h29 n PRO 277 Ca -0.16 -1.75 -0.42 0.00 -0.04 0.00 0.00 63.50 61.13 1h29 n PRO 277 Cb 0.55 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.15 1h29 n PRO 277 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1h29 s VAL 278 N 4.86 3.53 -0.02 0.52 1.01 -1.26 -4.26 120.40 124.78 1h29 s VAL 278 Ca 0.55 0.65 0.12 0.00 0.00 0.00 0.00 61.98 63.30 1h29 s VAL 278 Cb 0.14 -3.42 -0.12 0.00 0.00 0.00 0.00 36.38 32.98 1h29 s VAL 278 CO 0.11 -0.06 1.17 1.55 0.00 0.00 0.00 175.10 177.87 1h29 h PRO 279 N 9.58 0.00 0.00 2.72 0.13 -1.92 -0.85 132.00 141.66 1h29 h PRO 279 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1h29 h PRO 279 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1h29 h PRO 279 CO 0.95 0.67 0.00 0.41 -0.23 0.00 0.00 178.00 179.80 1h29 n GLY 280 N 1.35 -0.45 3.63 1.56 0.00 -1.26 -4.53 105.19 105.49 1h29 n GLY 280 Ca -0.03 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1h29 n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h29 s LYS 281 N 0.00 3.89 -0.52 1.61 -0.14 -1.26 -3.81 119.74 119.51 1h29 s LYS 281 Ca 0.00 1.43 -0.05 0.00 -1.36 0.00 0.00 55.97 55.99 1h29 s LYS 281 Cb 0.00 -3.93 0.01 0.00 -1.68 0.00 0.00 37.83 32.22 1h29 s LYS 281 CO 0.00 -1.16 0.42 -0.40 -0.76 0.00 0.00 175.35 173.45 1h29 n ASP 282 N 7.88 -3.38 -4.72 2.83 5.75 -1.26 -4.86 116.55 118.80 1h29 n ASP 282 Ca 0.16 -0.57 -0.42 0.00 -0.01 0.00 0.00 54.79 53.95 1h29 n ASP 282 Cb 0.46 -1.09 -0.03 0.00 -1.03 0.00 0.00 41.12 39.42 1h29 n ASP 282 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h29 s ALA 283 N -2.35 3.31 0.91 2.12 0.00 -1.25 -5.04 121.76 119.45 1h29 s ALA 283 Ca 0.05 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 1h29 s ALA 283 Cb -0.01 -3.39 0.14 0.00 0.00 0.00 0.00 23.12 19.86 1h29 s ALA 283 CO 0.62 -0.32 1.10 -1.25 0.00 0.00 0.00 175.76 175.90 1h29 s PRO 284 N 0.78 1.13 0.34 0.00 0.04 -1.26 -4.94 135.00 131.09 1h29 s PRO 284 Ca 0.55 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.74 1h29 s PRO 284 Cb -0.27 -1.77 0.62 0.00 0.04 0.00 0.00 34.50 33.13 1h29 s PRO 284 CO 0.30 -2.41 1.88 0.07 0.04 0.00 0.00 177.00 176.88 1h29 h ARG 285 N -1.69 0.51 -0.19 4.56 0.11 -2.01 -2.17 114.38 113.50 1h29 h ARG 285 Ca -0.48 -0.11 0.05 0.00 0.10 0.00 0.00 59.98 59.55 1h29 h ARG 285 Cb 1.27 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 1h29 h ARG 285 CO 0.50 0.53 0.55 1.49 0.10 0.00 0.00 179.97 183.14 1h29 h GLU 286 N 0.49 0.00 -0.81 0.08 4.81 -2.02 -2.92 114.58 114.20 1h29 h GLU 286 Ca 0.11 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.79 1h29 h GLU 286 Cb 0.32 0.00 -0.43 0.00 0.63 0.00 0.00 28.75 29.27 1h29 h GLU 286 CO 0.01 0.00 -0.82 -1.33 -0.73 0.00 0.00 179.01 176.14 1h29 n MET 287 N -3.05 3.54 -3.73 1.92 2.81 -0.82 -5.02 117.12 112.77 1h29 n MET 287 Ca 0.03 -4.18 -0.24 0.00 -1.81 0.00 0.00 57.70 51.49 1h29 n MET 287 Cb 0.64 -2.26 -0.01 0.00 -0.71 0.00 0.00 33.22 30.89 1h29 n MET 287 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1h29 s LYS 288 N -3.60 2.32 0.69 0.03 1.02 -1.10 -4.49 119.74 114.62 1h29 s LYS 288 Ca 0.50 -1.85 -0.15 0.00 0.02 0.00 0.00 55.97 54.48 1h29 s LYS 288 Cb 0.41 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 35.52 1h29 s LYS 288 CO 0.02 -0.51 1.18 0.20 -0.92 0.00 0.00 175.35 175.31 1h29 s GLY 289 N -4.26 2.33 0.00 -3.33 0.00 -1.26 -4.96 107.32 95.84 1h29 s GLY 289 Ca 0.41 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.92 1h29 s GLY 289 CO 0.25 1.18 0.00 -1.30 0.00 0.00 0.00 173.10 173.23 1h29 n THR 290 N -2.50 0.00 -4.25 0.90 -2.24 -1.26 -4.90 114.28 100.03 1h29 n THR 290 Ca 0.12 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.66 1h29 n THR 290 Cb 0.51 0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 1h29 n THR 290 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1h29 s MET 291 N -0.65 2.40 0.60 -0.78 -1.94 -1.26 -5.12 119.30 112.54 1h29 s MET 291 Ca 0.00 -1.27 -0.18 0.00 -1.71 0.00 0.00 55.69 52.52 1h29 s MET 291 Cb 0.00 -2.27 -0.05 0.00 2.01 0.00 0.00 34.83 34.52 1h29 s MET 291 CO 0.00 0.40 0.90 1.63 -0.01 0.00 0.00 175.02 177.94 1h29 n LYS 292 N -0.67 0.84 -0.93 2.03 5.02 -1.26 -4.93 118.16 118.26 1h29 n LYS 292 Ca -0.08 0.33 -0.29 0.00 -2.02 0.00 0.00 58.31 56.25 1h29 n LYS 292 Cb 0.58 -2.10 0.19 0.00 -0.02 0.00 0.00 35.03 33.68 1h29 n LYS 292 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1h29 s PRO 293 N -2.66 0.17 -0.12 1.97 0.04 -1.25 -4.42 135.00 128.73 1h29 s PRO 293 Ca 0.75 0.77 0.01 0.00 0.04 0.00 0.00 61.00 62.57 1h29 s PRO 293 Cb -0.42 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1h29 s PRO 293 CO 0.48 -2.97 -0.15 0.08 0.04 0.00 0.00 177.00 174.48 1h29 s VAL 294 N -2.76 1.52 0.26 -0.36 1.01 -1.08 -0.74 120.40 118.25 1h29 s VAL 294 Ca 0.66 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1h29 s VAL 294 Cb -0.21 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1h29 s VAL 294 CO 0.60 0.45 0.52 0.00 0.00 0.00 0.00 175.10 176.67 1h29 s ALA 295 N 1.15 3.65 -0.10 5.51 0.00 -1.26 -0.94 121.76 129.78 1h29 s ALA 295 Ca -0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1h29 s ALA 295 Cb -0.14 -2.26 0.05 0.00 0.00 0.00 0.00 23.12 20.77 1h29 s ALA 295 CO -0.04 0.32 0.19 0.12 0.00 0.00 0.00 175.76 176.35 1h29 s PHE 296 N -2.00 -0.26 -1.05 0.00 5.36 -0.21 -4.96 117.98 114.86 1h29 s PHE 296 Ca 0.43 0.72 -0.21 0.00 -0.96 0.00 0.00 56.93 56.92 1h29 s PHE 296 Cb -0.11 -0.18 0.08 0.00 -0.34 0.00 0.00 43.02 42.47 1h29 s PHE 296 CO 0.29 -0.29 1.41 0.34 -1.46 0.00 0.00 175.22 175.50 1h29 s ASP 297 N 2.26 6.61 0.03 6.13 -1.08 -1.26 -0.53 116.67 128.83 1h29 s ASP 297 Ca 0.02 -1.83 -0.26 0.00 -0.52 0.00 0.00 52.55 49.96 1h29 s ASP 297 Cb -0.12 -2.52 -0.17 0.00 -1.46 0.00 0.00 42.92 38.65 1h29 s ASP 297 CO -0.07 -1.31 1.39 -0.74 0.52 0.00 0.00 175.17 174.97 1h29 h HIS 298 N 9.10 -0.35 -0.51 -5.34 -0.00 -0.92 -2.07 115.15 115.06 1h29 h HIS 298 Ca 0.23 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.70 1h29 h HIS 298 Cb 0.99 0.11 -0.10 0.00 -0.00 0.00 0.00 27.41 28.41 1h29 h HIS 298 CO 1.26 -0.06 -0.21 -0.22 -0.00 0.00 0.00 177.93 178.70 1h29 h LYS 299 N -0.62 -0.09 -0.72 5.26 3.64 -1.61 0.10 116.57 122.54 1h29 h LYS 299 Ca -0.04 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1h29 h LYS 299 Cb 0.44 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 1h29 h LYS 299 CO 0.06 -0.06 0.44 0.00 -2.27 0.00 0.00 179.45 177.62 1h29 h ALA 300 N 1.27 0.95 -0.71 5.00 0.00 -1.82 -2.70 119.26 121.25 1h29 h ALA 300 Ca 0.24 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1h29 h ALA 300 Cb 0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1h29 h ALA 300 CO -0.58 0.20 0.23 0.45 0.00 0.00 0.00 179.25 179.55 1h29 h HIS 301 N 0.85 1.13 -0.58 0.00 3.86 -0.44 -2.71 115.15 117.26 1h29 h HIS 301 Ca 0.30 -0.11 0.12 0.00 -1.16 0.00 0.00 60.37 59.52 1h29 h HIS 301 Cb 0.07 -0.33 -0.10 0.00 1.06 0.00 0.00 27.41 28.11 1h29 h HIS 301 CO -0.05 0.90 -0.02 0.93 0.86 0.00 0.00 177.93 180.55 1h29 h GLU 302 N 1.04 0.09 0.00 2.45 5.08 -0.57 -0.34 114.58 122.33 1h29 h GLU 302 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1h29 h GLU 302 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1h29 h GLU 302 CO -0.01 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 1h29 h ALA 303 N 1.53 1.00 -0.04 3.43 0.00 -1.18 -2.16 119.26 121.85 1h29 h ALA 303 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1h29 h ALA 303 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1h29 h ALA 303 CO -0.51 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.37 1h29 n LYS 304 N -2.92 1.05 -3.62 0.00 4.76 -0.60 -4.98 118.16 111.85 1h29 n LYS 304 Ca 0.00 -1.38 -0.20 0.00 -2.87 0.00 0.00 58.31 53.86 1h29 n LYS 304 Cb 0.24 -1.27 -0.01 0.00 -1.84 0.00 0.00 35.03 32.14 1h29 n LYS 304 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h29 s ALA 305 N -1.16 4.13 -0.55 7.82 0.00 -0.24 -5.03 121.76 126.73 1h29 s ALA 305 Ca 0.17 -1.42 0.24 0.00 0.00 0.00 0.00 51.96 50.95 1h29 s ALA 305 Cb 0.12 -1.64 0.29 0.00 0.00 0.00 0.00 23.12 21.88 1h29 s ALA 305 CO 0.18 0.04 1.29 -0.91 0.00 0.00 0.00 175.76 176.36 1h29 h ASN 306 N 1.00 0.00 -0.70 0.00 -0.26 -1.91 -3.48 115.58 110.22 1h29 h ASN 306 Ca -0.47 -0.15 0.10 0.00 -0.56 0.00 0.00 56.30 55.22 1h29 h ASN 306 Cb 1.25 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.49 1h29 h ASN 306 CO 0.55 0.08 0.25 -0.90 -1.06 0.00 0.00 177.43 176.35 1h29 n ASP 307 N -2.29 -0.33 0.02 5.81 5.68 -1.26 -3.41 116.55 120.77 1h29 n ASP 307 Ca 0.03 -1.07 -0.18 0.00 -0.50 0.00 0.00 54.79 53.07 1h29 n ASP 307 Cb 0.47 0.51 -0.14 0.00 -1.14 0.00 0.00 41.12 40.82 1h29 n ASP 307 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h29 h ARG 309 N 0.06 0.09 -0.97 0.00 2.43 -1.97 -0.76 114.38 113.26 1h29 h ARG 309 Ca -0.36 -0.01 0.31 0.00 -0.81 0.00 0.00 59.98 59.10 1h29 h ARG 309 Cb 2.04 -0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 31.42 1h29 h ARG 309 CO 0.11 0.15 0.47 1.15 -1.51 0.00 0.00 179.97 180.34 1h29 h THR 310 N 0.09 0.27 0.00 0.20 2.02 -1.96 -2.17 112.91 111.35 1h29 h THR 310 Ca 0.02 -0.09 -0.42 0.00 0.77 0.00 0.00 66.41 66.70 1h29 h THR 310 Cb 0.16 -0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.49 1h29 h THR 310 CO 0.01 0.05 -2.40 0.00 0.37 0.00 0.00 175.52 173.55 1h29 n HIS 312 N -4.06 3.02 0.22 0.00 8.25 -0.32 -4.74 115.22 117.59 1h29 n HIS 312 Ca -0.49 -2.76 0.08 0.00 -0.26 0.00 0.00 57.72 54.30 1h29 n HIS 312 Cb 0.86 -2.37 0.49 0.00 1.12 0.00 0.00 29.99 30.09 1h29 n HIS 312 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1h29 h HIS 313 N 6.20 0.00 0.00 4.41 -0.00 -1.65 -3.30 115.15 120.81 1h29 h HIS 313 Ca 0.58 0.00 -0.39 0.00 -0.00 0.00 0.00 60.37 60.56 1h29 h HIS 313 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.93 1h29 h HIS 313 CO 1.50 0.26 -2.28 0.28 -0.00 0.00 0.00 177.93 177.69 1h29 n VAL 314 N -3.62 1.39 -3.49 6.12 0.31 -1.26 -5.02 118.33 112.76 1h29 n VAL 314 Ca -0.01 -0.31 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 1h29 n VAL 314 Cb 0.39 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.42 1h29 n VAL 314 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h29 s ARG 315 N -2.49 1.00 -0.03 5.55 1.70 -1.24 -4.27 118.95 119.17 1h29 s ARG 315 Ca -0.35 -0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 54.23 1h29 s ARG 315 Cb 0.13 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.91 1h29 s ARG 315 CO 0.44 -0.44 1.31 0.42 -1.08 0.00 0.00 175.30 175.95 1h29 s ILE 316 N -3.34 3.97 0.00 4.99 -1.09 -1.26 -4.79 121.20 119.68 1h29 s ILE 316 Ca 0.04 1.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 1h29 s ILE 316 Cb -0.01 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1h29 s ILE 316 CO -0.10 -0.00 0.00 -0.67 -1.23 0.00 0.00 174.94 172.94 1h29 n ASP 317 N 5.31 0.00 -4.59 3.58 -0.08 -1.26 -5.12 116.55 114.38 1h29 n ASP 317 Ca 0.12 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.09 1h29 n ASP 317 Cb 0.45 0.00 0.19 0.00 2.34 0.00 0.00 41.12 44.09 1h29 n ASP 317 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1h29 n THR 318 N -0.30 0.00 0.14 5.18 -2.24 -1.26 -4.92 114.28 110.87 1h29 n THR 318 Ca 0.00 -0.13 0.02 0.00 -2.27 0.00 0.00 64.05 61.68 1h29 n THR 318 Cb 0.00 -0.96 0.02 0.00 -2.10 0.00 0.00 70.33 67.29 1h29 n THR 318 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h29 n THR 320 N -3.22 0.00 0.21 0.00 -2.24 -1.26 -0.20 114.28 107.57 1h29 n THR 320 Ca 0.02 -0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1h29 n THR 320 Cb 0.74 -0.24 0.45 0.00 -2.10 0.00 0.00 70.33 69.18 1h29 n THR 320 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h29 h ALA 321 N 3.71 1.36 0.00 6.98 0.00 -1.96 -3.36 119.26 126.00 1h29 h ALA 321 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1h29 h ALA 321 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1h29 h ALA 321 CO 0.00 0.37 -1.22 0.00 0.00 0.00 0.00 179.25 178.40 1h29 n HIS 323 N -2.72 3.91 -1.30 0.00 8.25 0.72 -3.40 115.22 120.67 1h29 n HIS 323 Ca -0.07 -3.07 -0.29 0.00 -0.26 0.00 0.00 57.72 54.03 1h29 n HIS 323 Cb 0.57 -2.05 0.20 0.00 1.12 0.00 0.00 29.99 29.83 1h29 n HIS 323 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1h29 s THR 324 N 0.86 1.84 0.20 1.59 -4.23 -1.26 -4.12 115.64 110.52 1h29 s THR 324 Ca 0.41 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.81 1h29 s THR 324 Cb 0.03 -2.60 0.13 0.00 1.34 0.00 0.00 72.50 71.40 1h29 s THR 324 CO 0.00 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.40 1h29 h VAL 325 N -2.08 0.77 0.00 2.29 2.07 -1.38 -0.99 116.25 116.92 1h29 h VAL 325 Ca -0.49 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1h29 h VAL 325 Cb 1.31 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1h29 h VAL 325 CO 0.47 0.07 -0.50 -3.20 0.02 0.00 0.00 177.57 174.42 1h29 n ASN 326 N -5.02 0.70 0.00 0.57 4.05 -1.26 -3.93 115.26 110.38 1h29 n ASN 326 Ca 0.08 0.19 0.00 0.00 0.45 0.00 0.00 54.58 55.30 1h29 n ASN 326 Cb 0.26 -0.01 0.00 0.00 1.23 0.00 0.00 39.78 41.26 1h29 n ASN 326 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1h29 n GLY 327 N 1.34 -1.38 3.31 8.20 0.00 -0.82 -4.63 105.19 111.20 1h29 n GLY 327 Ca 0.04 -1.58 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 1h29 n GLY 327 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h29 s THR 328 N -2.39 0.08 0.19 2.61 -4.23 -1.22 -4.75 115.64 105.93 1h29 s THR 328 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1h29 s THR 328 Cb 0.00 -2.48 0.09 0.00 1.34 0.00 0.00 72.50 71.45 1h29 s THR 328 CO 0.00 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 175.76 1h29 h ALA 329 N 2.13 0.88 0.00 3.99 0.00 -1.94 0.69 119.26 125.00 1h29 h ALA 329 Ca -0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1h29 h ALA 329 Cb 1.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1h29 h ALA 329 CO 0.41 0.66 -0.01 -0.44 0.00 0.00 0.00 179.25 179.87 1h29 h ASP 330 N 1.02 0.00 -0.38 0.00 3.45 -1.95 0.14 116.42 118.70 1h29 h ASP 330 Ca 0.20 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.66 1h29 h ASP 330 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1h29 h ASP 330 CO 0.02 0.01 0.00 -1.54 -1.57 0.00 0.00 179.24 176.15 1h29 n SER 331 N -3.14 3.42 -2.51 6.45 3.41 -0.77 -4.91 113.62 115.57 1h29 n SER 331 Ca -0.02 -1.97 -0.17 0.00 -0.26 0.00 0.00 58.87 56.45 1h29 n SER 331 Cb 0.15 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1h29 n SER 331 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1h29 n LYS 332 N 1.43 -2.25 -1.49 4.33 5.02 0.47 -1.40 118.16 124.27 1h29 n LYS 332 Ca 0.19 0.76 -0.16 0.00 -2.02 0.00 0.00 58.31 57.08 1h29 n LYS 332 Cb 0.59 -5.41 -0.06 0.00 -0.02 0.00 0.00 35.03 30.13 1h29 n LYS 332 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1h29 n PHE 333 N -3.71 -0.03 -2.18 2.13 3.01 0.23 -4.97 117.46 111.94 1h29 n PHE 333 Ca -0.18 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.86 1h29 n PHE 333 Cb 0.64 -2.77 -0.02 0.00 -0.01 0.00 0.00 39.48 37.31 1h29 n PHE 333 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1h29 s VAL 334 N -2.59 3.86 0.59 -4.37 1.01 -0.49 -4.62 120.40 113.79 1h29 s VAL 334 Ca 0.00 1.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 1h29 s VAL 334 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1h29 s VAL 334 CO 0.00 -0.12 1.03 -1.10 0.00 0.00 0.00 175.10 174.91 1h29 s GLN 335 N 3.92 3.52 0.24 2.72 -0.21 -1.26 -4.42 119.66 124.17 1h29 s GLN 335 Ca 0.66 1.00 -0.08 0.00 0.02 0.00 0.00 55.36 56.96 1h29 s GLN 335 Cb -0.28 -2.07 0.40 0.00 1.00 0.00 0.00 33.01 32.06 1h29 s GLN 335 CO 0.24 -0.63 1.64 1.25 -2.12 0.00 0.00 175.29 175.67 1h29 h LEU 336 N 0.28 -0.37 -0.49 2.90 5.85 -1.32 0.06 115.31 122.22 1h29 h LEU 336 Ca -0.46 0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.55 1h29 h LEU 336 Cb 1.20 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 42.49 1h29 h LEU 336 CO 0.59 -0.18 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.41 1h29 h GLU 337 N 0.09 0.09 -0.49 1.25 4.81 -1.85 -1.89 114.58 116.59 1h29 h GLU 337 Ca 0.39 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 1h29 h GLU 337 Cb 0.68 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1h29 h GLU 337 CO -0.66 0.06 0.20 -0.22 -0.73 0.00 0.00 179.01 177.66 1h29 h LYS 338 N 0.09 0.72 -0.17 1.92 3.64 -1.51 -1.45 116.57 119.81 1h29 h LYS 338 Ca 0.24 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 1h29 h LYS 338 Cb 0.37 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1h29 h LYS 338 CO -0.43 0.65 0.20 0.00 -2.27 0.00 0.00 179.45 177.60 1h29 h ALA 339 N 1.04 1.77 0.00 5.00 0.00 -0.35 -1.82 119.26 124.90 1h29 h ALA 339 Ca 0.16 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1h29 h ALA 339 Cb 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1h29 h ALA 339 CO -0.01 -0.29 -1.64 -1.33 0.00 0.00 0.00 179.25 175.97 1h29 n MET 340 N -3.75 1.36 0.00 0.00 2.81 -0.78 -4.15 117.12 112.62 1h29 n MET 340 Ca 0.01 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1h29 n MET 340 Cb 0.32 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 1h29 n MET 340 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1h29 n HIS 341 N -2.17 0.00 -1.60 2.03 8.25 -0.58 -0.96 115.22 120.20 1h29 n HIS 341 Ca -0.10 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 56.82 1h29 n HIS 341 Cb 0.60 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.64 1h29 n HIS 341 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1h29 n GLN 342 N -0.28 1.25 0.27 -0.41 -0.06 -0.69 -4.45 117.38 113.00 1h29 n GLN 342 Ca 0.00 0.42 0.17 0.00 -2.00 0.00 0.00 57.00 55.59 1h29 n GLN 342 Cb 0.02 -2.29 0.64 0.00 -4.06 0.00 0.00 30.24 24.54 1h29 n GLN 342 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 1h29 h PRO 343 N 9.42 0.00 0.00 3.69 0.11 -1.90 -2.90 132.00 140.42 1h29 h PRO 343 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 1h29 h PRO 343 Cb 1.32 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1h29 h PRO 343 CO 0.99 0.00 -0.33 -0.40 -0.21 0.00 0.00 178.00 178.04 1h29 n ASP 344 N -3.04 1.70 -4.58 -2.05 5.68 -1.26 -4.22 116.55 108.77 1h29 n ASP 344 Ca 0.01 -3.11 -0.34 0.00 -0.50 0.00 0.00 54.79 50.85 1h29 n ASP 344 Cb 0.32 -0.42 -0.11 0.00 -1.14 0.00 0.00 41.12 39.76 1h29 n ASP 344 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1h29 s SER 345 N -2.66 4.60 0.46 -1.12 0.15 -1.16 -5.01 113.70 108.96 1h29 s SER 345 Ca 0.30 -0.04 0.26 0.00 0.70 0.00 0.00 55.95 57.17 1h29 s SER 345 Cb 0.28 -1.14 0.82 0.00 -1.71 0.00 0.00 66.02 64.27 1h29 s SER 345 CO -0.03 0.36 1.78 0.24 1.20 0.00 0.00 173.24 176.79 1h29 h MET 346 N 5.20 0.00 0.00 5.44 2.86 -1.89 -2.56 114.93 123.98 1h29 h MET 346 Ca -0.49 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.09 1h29 h MET 346 Cb 1.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 1h29 h MET 346 CO 0.52 0.10 -0.29 0.00 1.06 0.00 0.00 176.91 178.31 1h29 h ARG 347 N 0.00 0.00 -6.58 1.72 3.08 -1.94 -3.37 114.38 107.29 1h29 h ARG 347 Ca -0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1h29 h ARG 347 Cb 0.81 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.88 1h29 h ARG 347 CO 0.01 0.29 -0.17 -1.54 -1.07 0.00 0.00 179.97 177.49 1h29 s SER 348 N -6.46 5.94 0.04 7.04 1.04 -1.22 -4.78 113.70 115.30 1h29 s SER 348 Ca -0.01 0.21 -0.26 0.00 0.48 0.00 0.00 55.95 56.36 1h29 s SER 348 Cb 0.12 -1.55 -0.17 0.00 0.10 0.00 0.00 66.02 64.52 1h29 s SER 348 CO 0.66 -0.57 1.45 0.00 0.98 0.00 0.00 173.24 175.76 1h29 h VAL 350 N -0.52 1.29 -0.39 0.00 2.07 -1.72 -2.81 116.25 114.17 1h29 h VAL 350 Ca -0.03 -1.80 -0.03 0.00 0.82 0.00 0.00 66.70 65.66 1h29 h VAL 350 Cb 0.39 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1h29 h VAL 350 CO 0.05 0.57 0.11 1.23 0.02 0.00 0.00 177.57 179.55 1h29 h GLY 351 N 0.80 0.66 0.72 2.17 0.00 -1.54 0.23 103.07 106.10 1h29 h GLY 351 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1h29 h GLY 351 CO 0.12 0.37 -0.02 0.00 0.00 0.00 0.00 176.54 177.01 1h29 h HIS 353 N -0.13 1.05 -0.29 0.00 3.86 -1.43 -0.06 115.15 118.15 1h29 h HIS 353 Ca 0.03 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1h29 h HIS 353 Cb 0.43 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1h29 h HIS 353 CO 0.05 0.40 0.19 -0.91 0.86 0.00 0.00 177.93 178.52 1h29 h ASN 354 N 0.90 0.28 0.56 2.45 2.35 -0.24 0.53 115.58 122.42 1h29 h ASN 354 Ca 0.49 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 56.05 1h29 h ASN 354 Cb 0.57 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1h29 h ASN 354 CO -0.26 0.20 -0.80 0.71 -1.65 0.00 0.00 177.43 175.64 1h29 h THR 355 N 0.33 1.48 -0.35 2.81 1.35 -0.79 -3.30 112.91 114.44 1h29 h THR 355 Ca 0.11 -2.48 -0.10 0.00 -0.55 0.00 0.00 66.41 63.39 1h29 h THR 355 Cb 0.04 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1h29 h THR 355 CO -0.02 0.72 -0.21 0.03 -0.25 0.00 0.00 175.52 175.79 1h29 h ARG 356 N 0.11 0.68 0.00 4.72 2.47 -0.45 -1.81 114.38 120.09 1h29 h ARG 356 Ca -0.03 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1h29 h ARG 356 Cb 1.39 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 1h29 h ARG 356 CO 0.12 0.84 0.00 1.33 0.56 0.00 0.00 179.97 182.82 1h29 n VAL 357 N -4.12 0.44 0.28 2.04 0.24 -0.74 -2.41 118.33 114.05 1h29 n VAL 357 Ca 0.00 0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.54 1h29 n VAL 357 Cb 0.41 -0.89 0.26 0.00 -1.47 0.00 0.00 33.84 32.15 1h29 n VAL 357 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1h29 h GLN 358 N 0.00 0.00 -6.86 7.34 4.20 -1.42 -3.05 115.11 115.32 1h29 h GLN 358 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1h29 h GLN 358 Cb 0.08 0.00 0.08 0.00 0.30 0.00 0.00 27.48 27.94 1h29 h GLN 358 CO 0.00 0.00 0.74 1.14 -0.67 0.00 0.00 178.83 180.04 1h29 s GLN 359 N -3.25 4.22 0.55 1.46 -2.07 -1.01 -4.53 119.66 115.03 1h29 s GLN 359 Ca 0.07 2.40 0.32 0.00 -1.82 0.00 0.00 55.36 56.33 1h29 s GLN 359 Cb 0.06 -3.04 1.48 0.00 -1.09 0.00 0.00 33.01 30.42 1h29 s GLN 359 CO 0.64 -0.41 1.84 -1.35 -1.32 0.00 0.00 175.29 174.69 1h29 h PRO 360 N 3.79 0.00 0.00 9.60 0.11 -1.89 0.50 132.00 144.11 1h29 h PRO 360 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1h29 h PRO 360 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1h29 h PRO 360 CO 0.69 0.00 -0.20 1.79 -0.21 0.00 0.00 178.00 180.07 1h29 h THR 361 N 0.00 0.65 0.00 -1.15 1.35 -1.89 -3.19 112.91 108.68 1h29 h THR 361 Ca 0.42 -0.88 -0.36 0.00 -0.55 0.00 0.00 66.41 65.04 1h29 h THR 361 Cb 1.80 1.57 -0.07 0.00 -1.73 0.00 0.00 68.15 69.73 1h29 h THR 361 CO -0.00 0.20 -2.34 0.00 -0.25 0.00 0.00 175.52 173.12 1h29 h ALA 363 N 0.90 1.33 0.04 0.00 0.00 -1.07 0.31 119.26 120.77 1h29 h ALA 363 Ca -0.53 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.37 1h29 h ALA 363 Cb 2.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.93 1h29 h ALA 363 CO 0.02 0.04 -0.21 0.78 0.00 0.00 0.00 179.25 179.89 1h29 h GLY 364 N 0.33 -0.32 0.15 0.00 0.00 -1.82 0.20 103.07 101.61 1h29 h GLY 364 Ca -0.00 0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 1h29 h GLY 364 CO 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 176.54 176.20 1h29 h HIS 366 N -0.86 0.00 0.00 0.00 -0.00 -0.97 0.26 115.15 113.58 1h29 h HIS 366 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1h29 h HIS 366 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 1h29 h HIS 366 CO 0.26 0.17 0.00 0.41 -0.00 0.00 0.00 177.93 178.77 1h29 n GLY 367 N -0.94 -1.21 0.20 2.45 0.00 0.68 -4.05 105.19 102.32 1h29 n GLY 367 Ca -0.02 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1h29 n GLY 367 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1h29 n PHE 368 N -1.34 0.00 -2.48 1.61 7.35 0.79 -5.04 117.46 118.36 1h29 n PHE 368 Ca 0.11 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.47 1h29 n PHE 368 Cb 0.23 -0.81 -0.04 0.00 0.35 0.00 0.00 39.48 39.21 1h29 n PHE 368 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1h29 s ILE 369 N -2.42 4.17 -0.13 -2.13 -4.36 -0.40 -5.06 121.20 110.88 1h29 s ILE 369 Ca -0.30 1.19 -0.03 0.00 -0.26 0.00 0.00 60.65 61.25 1h29 s ILE 369 Cb 0.10 -3.56 -0.03 0.00 1.25 0.00 0.00 42.46 40.22 1h29 s ILE 369 CO 0.44 -0.45 -0.01 -0.54 0.24 0.00 0.00 174.94 174.63 1h29 s LYS 370 N -3.63 3.42 0.31 0.37 -0.14 -1.26 -4.94 119.74 113.86 1h29 s LYS 370 Ca 0.63 -0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 54.49 1h29 s LYS 370 Cb -0.12 -2.90 -0.12 0.00 -1.68 0.00 0.00 37.83 33.01 1h29 s LYS 370 CO 0.25 0.44 1.56 -0.35 -0.76 0.00 0.00 175.35 176.50 1h29 n PRO 371 N 2.93 2.65 0.13 -1.68 -0.04 -1.26 -4.92 135.00 132.82 1h29 n PRO 371 Ca -0.18 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1h29 n PRO 371 Cb 0.53 -2.70 0.08 0.00 -0.04 0.00 0.00 33.50 31.36 1h29 n PRO 371 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1h29 h THR 372 N 3.25 1.14 -6.80 0.52 1.35 -2.06 -3.47 112.91 106.85 1h29 h THR 372 Ca -0.47 -2.34 -0.56 0.00 -0.55 0.00 0.00 66.41 62.48 1h29 h THR 372 Cb 1.23 2.38 -0.25 0.00 -1.73 0.00 0.00 68.15 69.78 1h29 h THR 372 CO 0.76 0.60 -0.83 0.29 -0.25 0.00 0.00 175.52 176.09 1h29 n LYS 373 N -3.39 -2.46 -1.88 4.72 5.02 -1.26 -4.93 118.16 113.97 1h29 n LYS 373 Ca 0.01 0.30 -0.33 0.00 -2.02 0.00 0.00 58.31 56.27 1h29 n LYS 373 Cb 0.72 -4.99 0.03 0.00 -0.02 0.00 0.00 35.03 30.77 1h29 n LYS 373 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1h29 s SER 374 N -3.22 5.41 0.25 4.39 1.04 -1.26 -4.86 113.70 115.45 1h29 s SER 374 Ca 0.75 1.92 -0.03 0.00 0.48 0.00 0.00 55.95 59.07 1h29 s SER 374 Cb -0.42 -2.54 0.51 0.00 0.10 0.00 0.00 66.02 63.67 1h29 s SER 374 CO 0.92 -1.42 1.68 0.44 0.98 0.00 0.00 173.24 175.84 1h29 h ASP 375 N 0.21 0.05 -0.58 7.02 5.19 -1.99 -1.64 116.42 124.68 1h29 h ASP 375 Ca -0.47 0.15 0.07 0.00 -0.62 0.00 0.00 57.03 56.16 1h29 h ASP 375 Cb 1.23 0.20 -0.06 0.00 0.18 0.00 0.00 39.33 40.88 1h29 h ASP 375 CO 0.56 -0.04 0.26 0.00 -3.12 0.00 0.00 179.24 176.89 1h29 h ALA 376 N 1.64 0.75 0.08 3.45 0.00 -1.96 0.33 119.26 123.55 1h29 h ALA 376 Ca 0.44 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1h29 h ALA 376 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1h29 h ALA 376 CO -0.53 -0.12 -0.04 1.96 0.00 0.00 0.00 179.25 180.52 1h29 h GLN 377 N 0.48 -0.11 -1.03 0.00 1.08 -1.74 -2.19 115.11 111.61 1h29 h GLN 377 Ca 0.27 0.01 0.26 0.00 -1.45 0.00 0.00 58.65 57.74 1h29 h GLN 377 Cb 0.26 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.62 1h29 h GLN 377 CO -0.23 0.05 0.66 0.00 -0.95 0.00 0.00 178.83 178.36 1h29 n GLY 379 N -1.48 -1.07 0.31 0.00 0.00 0.11 -0.92 105.19 102.14 1h29 n GLY 379 Ca 0.25 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 1h29 n GLY 379 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h29 h VAL 380 N 0.00 1.26 0.00 1.61 2.07 -0.89 -3.37 116.25 116.93 1h29 h VAL 380 Ca 0.00 -1.12 -0.39 0.00 0.82 0.00 0.00 66.70 66.01 1h29 h VAL 380 Cb 0.26 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1h29 h VAL 380 CO 0.00 0.41 -2.46 0.00 0.02 0.00 0.00 177.57 175.54 1h29 s HIS 382 N -2.51 2.90 0.08 0.00 3.76 -0.10 -4.10 115.29 115.32 1h29 s HIS 382 Ca -0.35 0.44 0.03 0.00 -0.15 0.00 0.00 55.06 55.03 1h29 s HIS 382 Cb 0.10 -4.07 -0.03 0.00 1.11 0.00 0.00 32.58 29.68 1h29 s HIS 382 CO 0.57 -1.14 -0.08 0.14 -0.85 0.00 0.00 174.74 173.37 1h29 s VAL 383 N 3.90 0.73 0.54 -0.90 -7.23 0.08 -4.24 120.40 113.28 1h29 s VAL 383 Ca 0.39 -1.60 -0.20 0.00 -1.81 0.00 0.00 61.98 58.76 1h29 s VAL 383 Cb -0.09 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.52 1h29 s VAL 383 CO 0.27 -0.63 1.19 0.00 -0.31 0.00 0.00 175.10 175.63 1h29 s ALA 384 N -2.60 2.73 -0.17 1.32 0.00 -1.26 -3.75 121.76 118.04 1h29 s ALA 384 Ca 0.04 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 1h29 s ALA 384 Cb -0.02 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1h29 s ALA 384 CO -0.02 -0.95 0.11 0.00 0.00 0.00 0.00 175.76 174.90 1h29 s ALA 385 N -1.59 3.66 0.20 0.00 0.00 -1.26 -4.83 121.76 117.93 1h29 s ALA 385 Ca 0.72 -0.69 -0.32 0.00 0.00 0.00 0.00 51.96 51.67 1h29 s ALA 385 Cb -0.29 -2.03 -0.12 0.00 0.00 0.00 0.00 23.12 20.68 1h29 s ALA 385 CO 0.34 0.31 1.71 -1.25 0.00 0.00 0.00 175.76 176.86 1h29 s PRO 386 N -0.08 4.14 -0.09 0.00 0.04 -1.26 -2.68 135.00 135.07 1h29 s PRO 386 Ca 0.09 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1h29 s PRO 386 Cb -0.12 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1h29 s PRO 386 CO 0.00 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1h29 n GLY 387 N 3.96 0.31 3.31 0.56 0.00 -1.26 -5.01 105.19 107.07 1h29 n GLY 387 Ca 0.16 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1h29 n GLY 387 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h29 s PHE 388 N -1.54 1.89 0.00 1.61 0.40 -1.09 -5.14 117.98 114.11 1h29 s PHE 388 Ca 0.00 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1h29 s PHE 388 Cb 0.00 -1.02 0.00 0.00 0.51 0.00 0.00 43.02 42.51 1h29 s PHE 388 CO 0.00 0.25 0.00 -0.40 0.70 0.00 0.00 175.22 175.77 1h29 n ASP 389 N 0.96 0.00 0.00 1.36 5.68 -1.26 -4.54 116.55 118.75 1h29 n ASP 389 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1h29 n ASP 389 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1h29 n ASP 389 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h29 n ALA 390 N -3.00 0.97 -0.13 2.12 0.00 -1.26 -4.80 120.51 114.41 1h29 n ALA 390 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1h29 n ALA 390 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1h29 n ALA 390 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h29 n LYS 391 N -0.70 2.91 0.04 0.00 5.02 -1.26 -1.91 118.16 122.25 1h29 n LYS 391 Ca 0.00 -1.80 -0.00 0.00 -2.02 0.00 0.00 58.31 54.49 1h29 n LYS 391 Cb 0.00 -1.88 -0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1h29 n LYS 391 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1h29 n GLN 392 N 0.18 0.02 0.00 1.97 6.02 -1.26 -4.45 117.38 119.86 1h29 n GLN 392 Ca 0.20 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1h29 n GLN 392 Cb 0.88 -0.54 0.00 0.00 1.02 0.00 0.00 30.24 31.61 1h29 n GLN 392 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1h29 n VAL 393 N -3.53 0.00 0.36 5.09 0.31 -1.25 0.70 118.33 120.01 1h29 n VAL 393 Ca -0.01 1.47 0.14 0.00 -0.01 0.00 0.00 64.34 65.93 1h29 n VAL 393 Cb 0.02 -1.97 0.51 0.00 -0.91 0.00 0.00 33.84 31.50 1h29 n VAL 393 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1h29 h GLU 394 N 0.00 0.00 -1.20 5.55 5.08 -1.70 -2.62 114.58 119.69 1h29 h GLU 394 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1h29 h GLU 394 Cb 0.00 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 28.83 1h29 h GLU 394 CO 0.00 0.00 -0.80 0.00 -1.00 0.00 0.00 179.01 177.21 1h29 n ALA 395 N -1.94 4.86 0.00 3.43 0.00 -1.13 -4.50 120.51 121.24 1h29 n ALA 395 Ca 0.02 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.44 1h29 n ALA 395 Cb 0.33 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1h29 n ALA 395 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h29 n GLY 396 N -0.53 1.69 0.34 0.00 0.00 0.22 -4.66 105.19 102.25 1h29 n GLY 396 Ca 0.38 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 1h29 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h29 h ALA 397 N 0.00 1.18 0.00 4.61 0.00 -0.22 -2.70 119.26 122.13 1h29 h ALA 397 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1h29 h ALA 397 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1h29 h ALA 397 CO 0.00 0.63 -0.72 -0.07 0.00 0.00 0.00 179.25 179.09 1h29 h LEU 398 N 1.13 0.00 -1.36 0.00 3.38 -1.80 -3.19 115.31 113.47 1h29 h LEU 398 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1h29 h LEU 398 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1h29 h LEU 398 CO -0.04 0.72 0.00 -0.07 0.09 0.00 0.00 178.44 179.14 1h29 h LEU 399 N 0.00 0.00 -0.09 1.67 3.38 -1.78 -2.48 115.31 116.01 1h29 h LEU 399 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h29 h LEU 399 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1h29 h LEU 399 CO 0.09 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.40 1h29 h ASN 400 N 0.00 0.00 -3.20 -0.43 2.35 -1.54 -3.47 115.58 109.29 1h29 h ASN 400 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1h29 h ASN 400 Cb 0.49 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.92 1h29 h ASN 400 CO 0.00 0.00 0.84 -0.76 -1.65 0.00 0.00 177.43 175.86 1h29 s LEU 401 N -6.18 4.37 0.76 1.61 1.43 -0.94 -5.00 118.68 114.73 1h29 s LEU 401 Ca 0.07 2.75 -0.11 0.00 -1.03 0.00 0.00 54.13 55.81 1h29 s LEU 401 Cb 0.05 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.70 1h29 s LEU 401 CO 0.66 -0.81 1.08 -0.54 0.23 0.00 0.00 176.35 176.98 1h29 s LYS 402 N 0.01 2.35 0.32 1.70 1.02 -1.26 -4.76 119.74 119.11 1h29 s LYS 402 Ca 0.64 1.06 0.08 0.00 0.02 0.00 0.00 55.97 57.77 1h29 s LYS 402 Cb -0.44 -1.92 0.93 0.00 -0.52 0.00 0.00 37.83 35.88 1h29 s LYS 402 CO 0.41 -1.54 1.60 0.00 -0.92 0.00 0.00 175.35 174.90 1h29 h ALA 403 N -1.05 1.54 -0.13 5.17 0.00 -1.99 -1.93 119.26 120.87 1h29 h ALA 403 Ca -0.44 0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 1h29 h ALA 403 Cb 1.23 0.40 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1h29 h ALA 403 CO 0.53 -0.64 -0.82 0.93 0.00 0.00 0.00 179.25 179.25 1h29 h GLU 404 N 0.09 0.75 -0.41 0.00 3.07 -1.99 -1.90 114.58 114.20 1h29 h GLU 404 Ca 0.67 -0.64 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 1h29 h GLU 404 Cb 1.51 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.54 1h29 h GLU 404 CO -0.78 1.24 0.10 1.96 -1.40 0.00 0.00 179.01 180.13 1h29 h GLN 405 N 0.50 0.60 -0.59 2.33 4.20 -1.74 -0.61 115.11 119.81 1h29 h GLN 405 Ca -0.06 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 1h29 h GLN 405 Cb 1.45 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.10 1h29 h GLN 405 CO 0.16 0.56 0.26 0.00 -0.67 0.00 0.00 178.83 179.14 1h29 h ARG 406 N 0.59 0.87 -0.52 1.46 3.08 -1.16 0.18 114.38 118.89 1h29 h ARG 406 Ca 0.14 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1h29 h ARG 406 Cb 0.23 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1h29 h ARG 406 CO -0.00 0.73 0.30 0.77 -1.07 0.00 0.00 179.97 180.70 1h29 h SER 407 N 0.82 0.49 0.23 7.04 0.02 -0.83 -0.09 113.55 121.23 1h29 h SER 407 Ca 0.20 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1h29 h SER 407 Cb 0.17 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1h29 h SER 407 CO -0.02 0.34 -0.11 -0.61 -1.14 0.00 0.00 176.83 175.29 1h29 h GLN 408 N 0.60 -0.29 -0.76 3.45 4.15 -0.49 0.15 115.11 121.91 1h29 h GLN 408 Ca 0.21 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.72 1h29 h GLN 408 Cb 0.03 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.73 1h29 h GLN 408 CO -0.10 0.02 0.44 0.28 -1.93 0.00 0.00 178.83 177.54 1h29 h VAL 409 N -0.63 0.96 -0.36 2.39 2.07 -0.69 -2.49 116.25 117.49 1h29 h VAL 409 Ca -0.03 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1h29 h VAL 409 Cb 0.45 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1h29 h VAL 409 CO 0.05 0.14 0.11 0.00 0.02 0.00 0.00 177.57 177.90 1h29 h ALA 410 N 1.40 0.48 -0.38 1.67 0.00 -0.79 -1.98 119.26 119.66 1h29 h ALA 410 Ca 0.35 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1h29 h ALA 410 Cb 0.25 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1h29 h ALA 410 CO -0.21 0.12 0.05 0.00 0.00 0.00 0.00 179.25 179.22 1h29 h ALA 411 N 0.95 0.39 -0.33 0.00 0.00 -0.40 -0.46 119.26 119.41 1h29 h ALA 411 Ca 0.12 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1h29 h ALA 411 Cb 0.26 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1h29 h ALA 411 CO -0.00 -0.35 -0.39 0.66 0.00 0.00 0.00 179.25 179.17 1h29 h SER 412 N 0.17 0.83 -0.48 0.00 4.64 -1.34 -1.28 113.55 116.09 1h29 h SER 412 Ca 0.19 -0.37 0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1h29 h SER 412 Cb 0.23 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1h29 h SER 412 CO -0.27 1.12 -0.01 0.24 -0.87 0.00 0.00 176.83 177.04 1h29 h MET 413 N 0.64 0.10 -0.41 4.77 2.86 -1.00 0.77 114.93 122.67 1h29 h MET 413 Ca 0.05 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1h29 h MET 413 Cb 0.94 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1h29 h MET 413 CO 0.09 0.07 0.05 -0.07 1.06 0.00 0.00 176.91 178.11 1h29 h LEU 414 N 0.10 0.66 -0.21 1.22 3.38 -0.80 -2.77 115.31 116.90 1h29 h LEU 414 Ca 0.24 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1h29 h LEU 414 Cb 0.36 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1h29 h LEU 414 CO -0.41 0.76 0.00 -1.54 0.09 0.00 0.00 178.44 177.34 1h29 n SER 415 N -4.50 0.81 0.09 -0.43 3.41 -0.51 -3.04 113.62 109.46 1h29 n SER 415 Ca -0.01 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1h29 n SER 415 Cb 0.25 -0.81 0.45 0.00 -0.26 0.00 0.00 64.21 63.83 1h29 n SER 415 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h29 n ALA 416 N -1.80 2.13 -1.74 7.33 0.00 0.26 -4.85 120.51 121.85 1h29 n ALA 416 Ca 0.05 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 1h29 n ALA 416 Cb 0.38 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.42 1h29 n ALA 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h29 n ARG 417 N -2.12 1.79 -2.04 0.00 1.74 -1.15 -4.94 116.66 109.93 1h29 n ARG 417 Ca 0.05 0.65 -0.37 0.00 -0.77 0.00 0.00 57.85 57.41 1h29 n ARG 417 Cb 0.36 -2.57 0.02 0.00 -1.02 0.00 0.00 32.46 29.25 1h29 n ARG 417 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1h29 s PRO 418 N -2.78 3.24 0.50 5.56 0.02 -1.26 -4.97 135.00 135.31 1h29 s PRO 418 Ca 0.69 1.89 -0.22 0.00 0.02 0.00 0.00 61.00 63.39 1h29 s PRO 418 Cb -0.43 -2.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.88 1h29 s PRO 418 CO 0.51 -1.00 1.04 1.04 -0.33 0.00 0.00 177.00 178.25 1h29 n GLN 419 N -1.15 1.27 -1.61 5.54 1.13 -1.26 -4.86 117.38 116.45 1h29 n GLN 419 Ca 0.11 0.47 -0.49 0.00 -1.94 0.00 0.00 57.00 55.14 1h29 n GLN 419 Cb 0.48 -2.16 -0.05 0.00 0.11 0.00 0.00 30.24 28.62 1h29 n GLN 419 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1h29 n PRO 420 N -0.35 1.73 -3.02 -1.09 -0.04 -1.26 -4.93 135.00 126.04 1h29 n PRO 420 Ca 0.11 0.58 -0.36 0.00 -0.04 0.00 0.00 63.50 63.78 1h29 n PRO 420 Cb 0.43 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 31.22 1h29 n PRO 420 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1h29 s LYS 421 N 4.92 4.34 0.00 0.54 -2.85 -1.26 -5.05 119.74 120.38 1h29 s LYS 421 Ca 0.99 0.99 0.00 0.00 -1.00 0.00 0.00 55.97 56.95 1h29 s LYS 421 Cb -0.74 -2.87 0.00 0.00 -2.06 0.00 0.00 37.83 32.16 1h29 s LYS 421 CO 0.51 0.37 0.00 0.41 0.10 0.00 0.00 175.35 176.74 1h29 n GLY 422 N 0.70 0.88 2.58 0.59 0.00 -1.26 -4.83 105.19 103.85 1h29 n GLY 422 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1h29 n GLY 422 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1h29 n THR 423 N 0.00 0.00 -1.23 2.61 -1.04 -1.26 -4.14 114.28 109.21 1h29 n THR 423 Ca 0.00 -1.72 -0.32 0.00 -2.04 0.00 0.00 64.05 59.97 1h29 n THR 423 Cb 0.00 0.39 0.10 0.00 -1.82 0.00 0.00 70.33 69.00 1h29 n THR 423 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1h29 s PHE 424 N -2.37 2.19 -0.08 -1.42 0.08 -1.23 -4.93 117.98 110.23 1h29 s PHE 424 Ca 0.02 1.63 -0.29 0.00 0.12 0.00 0.00 56.93 58.41 1h29 s PHE 424 Cb 0.00 -3.25 -0.07 0.00 -0.57 0.00 0.00 43.02 39.12 1h29 s PHE 424 CO 0.02 -2.26 2.08 -3.47 -0.10 0.00 0.00 175.22 171.49 1h29 n ASP 425 N -3.33 3.75 0.06 1.36 2.03 -1.26 -4.82 116.55 114.34 1h29 n ASP 425 Ca 0.11 0.60 0.09 0.00 0.52 0.00 0.00 54.79 56.11 1h29 n ASP 425 Cb 0.52 -1.53 0.37 0.00 -0.72 0.00 0.00 41.12 39.76 1h29 n ASP 425 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1h29 n LEU 426 N 9.31 0.27 0.00 -2.67 4.77 -1.26 -0.21 117.00 127.22 1h29 n LEU 426 Ca 0.25 0.57 0.06 0.00 -0.03 0.00 0.00 56.01 56.86 1h29 n LEU 426 Cb 0.42 -0.54 0.30 0.00 -2.33 0.00 0.00 43.42 41.27 1h29 n LEU 426 CO 0.67 -0.40 0.71 0.59 -1.33 0.00 0.00 177.39 177.63 1h29 n ASN 427 N -1.81 0.00 -1.26 -1.43 3.02 -1.26 -2.20 115.26 110.32 1h29 n ASN 427 Ca 0.03 0.43 0.08 0.00 -0.03 0.00 0.00 54.58 55.08 1h29 n ASN 427 Cb 0.18 -0.46 0.28 0.00 -0.61 0.00 0.00 39.78 39.17 1h29 n ASN 427 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1h29 n ASP 428 N -1.46 3.70 -4.20 6.41 10.43 0.71 -4.90 116.55 127.23 1h29 n ASP 428 Ca 0.04 -2.27 -0.19 0.00 2.57 0.00 0.00 54.79 54.94 1h29 n ASP 428 Cb 0.15 -0.48 -0.12 0.00 1.84 0.00 0.00 41.12 42.51 1h29 n ASP 428 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1h29 s ILE 429 N -1.65 1.24 0.19 0.53 -4.36 -0.93 -5.02 121.20 111.20 1h29 s ILE 429 Ca 0.40 -1.43 -0.33 0.00 -0.26 0.00 0.00 60.65 59.04 1h29 s ILE 429 Cb 0.25 -1.24 -0.14 0.00 1.25 0.00 0.00 42.46 42.58 1h29 s ILE 429 CO 0.21 -0.24 1.45 -2.65 0.24 0.00 0.00 174.94 173.94 1h29 n PRO 430 N 1.09 1.94 -0.03 0.37 -0.02 -1.26 -4.89 135.00 132.21 1h29 n PRO 430 Ca -0.20 0.69 -0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1h29 n PRO 430 Cb 0.55 -2.38 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 1h29 n PRO 430 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1h29 h GLU 431 N 4.80 0.10 -6.56 -0.52 4.81 -1.94 -3.28 114.58 111.99 1h29 h GLU 431 Ca -0.45 -0.05 -0.65 0.00 -0.13 0.00 0.00 59.36 58.07 1h29 h GLU 431 Cb 1.28 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.41 1h29 h GLU 431 CO 0.80 0.56 -0.86 0.15 -0.73 0.00 0.00 179.01 178.93 1h29 s LYS 432 N -4.28 1.52 -0.11 1.92 1.02 -1.26 -1.52 119.74 117.02 1h29 s LYS 432 Ca -0.15 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 54.71 1h29 s LYS 432 Cb 0.03 -1.78 0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1h29 s LYS 432 CO 0.70 0.44 -0.13 0.08 -0.92 0.00 0.00 175.35 175.53 1h29 s VAL 433 N -0.91 1.34 -0.30 3.17 1.01 0.34 -4.90 120.40 120.16 1h29 s VAL 433 Ca 0.11 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1h29 s VAL 433 Cb -0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1h29 s VAL 433 CO 0.03 0.41 0.37 0.54 0.00 0.00 0.00 175.10 176.46 1h29 s VAL 434 N 1.25 5.16 -0.44 2.92 0.11 -1.26 0.03 120.40 128.18 1h29 s VAL 434 Ca -0.02 0.35 -0.10 0.00 -2.93 0.00 0.00 61.98 59.28 1h29 s VAL 434 Cb -0.14 -3.75 0.09 0.00 -1.53 0.00 0.00 36.38 31.05 1h29 s VAL 434 CO -0.05 0.04 0.31 -0.63 -3.33 0.00 0.00 175.10 171.44 1h29 s ILE 435 N 2.07 4.37 0.00 7.04 1.01 0.53 -4.86 121.20 131.36 1h29 s ILE 435 Ca 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.32 1h29 s ILE 435 Cb -0.16 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1h29 s ILE 435 CO 0.11 -0.60 0.79 0.61 0.00 0.00 0.00 174.94 175.85 1h29 n GLY 436 N 4.96 -0.77 0.30 6.18 0.00 -1.26 -0.63 105.19 113.98 1h29 n GLY 436 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.02 1h29 n GLY 436 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h29 h SER 437 N 0.00 -0.14 -0.13 1.61 4.64 -2.00 -2.76 113.55 114.76 1h29 h SER 437 Ca 0.00 0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1h29 h SER 437 Cb 1.24 0.30 -0.02 0.00 -0.31 0.00 0.00 62.40 63.61 1h29 h SER 437 CO 0.00 -0.17 -0.12 2.30 -0.87 0.00 0.00 176.83 177.96 1h29 n ILE 438 N -5.28 2.18 -2.04 0.95 -5.35 -1.26 -5.06 119.36 103.50 1h29 n ILE 438 Ca 0.19 -2.49 -0.40 0.00 -0.27 0.00 0.00 62.75 59.78 1h29 n ILE 438 Cb 0.61 -0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 38.25 1h29 n ILE 438 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h29 s ALA 439 N -3.02 3.33 0.44 -1.28 0.00 -1.04 -4.81 121.76 115.38 1h29 s ALA 439 Ca 0.38 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1h29 s ALA 439 Cb 0.34 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1h29 s ALA 439 CO 0.01 -0.81 0.00 1.17 0.00 0.00 0.00 175.76 176.14 1h29 n LYS 440 N 0.29 0.00 0.11 0.00 4.81 -1.26 -4.93 118.16 117.17 1h29 n LYS 440 Ca 0.03 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.51 1h29 n LYS 440 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 1h29 n LYS 440 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1h29 h GLU 441 N 0.00 0.00 -5.28 1.64 5.08 -1.96 -3.46 114.58 110.60 1h29 h GLU 441 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 1h29 h GLU 441 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1h29 h GLU 441 CO 0.00 0.31 -0.67 0.71 -1.00 0.00 0.00 179.01 178.36 1h29 s TYR 442 N -3.03 1.71 0.79 4.33 1.51 -1.26 -3.22 117.35 118.18 1h29 s TYR 442 Ca 0.02 -0.81 -0.11 0.00 -1.01 0.00 0.00 57.07 55.16 1h29 s TYR 442 Cb 0.08 -0.98 0.07 0.00 -0.11 0.00 0.00 41.96 41.02 1h29 s TYR 442 CO 0.76 0.12 1.10 -0.65 -1.11 0.00 0.00 175.55 175.77 1h29 s GLN 443 N -3.79 2.07 0.49 -0.62 -0.21 0.18 -4.58 119.66 113.19 1h29 s GLN 443 Ca 0.28 1.24 -0.21 0.00 0.02 0.00 0.00 55.36 56.68 1h29 s GLN 443 Cb 0.04 -1.87 -0.09 0.00 1.00 0.00 0.00 33.01 32.09 1h29 s GLN 443 CO 0.09 -1.79 0.82 -2.30 -2.12 0.00 0.00 175.29 169.99 1h29 n PRO 444 N -3.61 0.94 -2.92 2.91 -0.02 -1.26 -4.37 135.00 126.67 1h29 n PRO 444 Ca 0.10 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 1h29 n PRO 444 Cb 0.53 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 1h29 n PRO 444 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1h29 s SER 445 N -0.97 7.17 -0.31 2.55 0.15 0.20 -4.54 113.70 117.96 1h29 s SER 445 Ca 0.67 1.41 -0.15 0.00 0.70 0.00 0.00 55.95 58.59 1h29 s SER 445 Cb -0.51 -2.48 -0.03 0.00 -1.71 0.00 0.00 66.02 61.29 1h29 s SER 445 CO 0.54 -0.13 0.35 -0.70 1.20 0.00 0.00 173.24 174.51 1h29 s GLU 446 N 0.65 3.78 -0.28 5.44 2.12 -1.25 -0.35 118.70 128.81 1h29 s GLU 446 Ca 0.43 -0.23 -0.06 0.00 0.36 0.00 0.00 54.97 55.47 1h29 s GLU 446 Cb -0.20 -3.73 0.01 0.00 0.26 0.00 0.00 34.13 30.47 1h29 s GLU 446 CO 0.23 -0.40 0.05 0.12 -0.54 0.00 0.00 175.26 174.72 1h29 s PHE 447 N 2.02 3.12 -1.21 5.30 5.36 0.11 -4.92 117.98 127.75 1h29 s PHE 447 Ca 0.13 -1.03 -0.11 0.00 -0.96 0.00 0.00 56.93 54.96 1h29 s PHE 447 Cb -0.16 -2.21 -0.06 0.00 -0.34 0.00 0.00 43.02 40.24 1h29 s PHE 447 CO 0.11 -0.58 2.37 -0.35 -1.46 0.00 0.00 175.22 175.31 1h29 n PRO 448 N 4.83 2.63 0.18 10.12 -0.04 -1.26 -0.50 135.00 150.96 1h29 n PRO 448 Ca -0.15 -1.95 -0.16 0.00 -0.04 0.00 0.00 63.50 61.19 1h29 n PRO 448 Cb 0.48 -2.78 -0.09 0.00 -0.04 0.00 0.00 33.50 31.07 1h29 n PRO 448 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1h29 h HIS 449 N 6.11 -1.37 -0.58 0.54 2.76 -1.81 -0.54 115.15 120.27 1h29 h HIS 449 Ca 0.62 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.73 1h29 h HIS 449 Cb 0.36 0.56 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 1h29 h HIS 449 CO 1.73 -0.60 0.02 -0.09 -1.30 0.00 0.00 177.93 177.70 1h29 h ARG 450 N -0.81 0.98 -0.57 5.26 2.43 -1.34 -2.22 114.38 118.12 1h29 h ARG 450 Ca -0.02 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 58.92 1h29 h ARG 450 Cb 0.77 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 1h29 h ARG 450 CO -0.19 0.95 0.30 -0.22 -1.51 0.00 0.00 179.97 179.30 1h29 h LYS 451 N 0.91 0.55 -0.08 0.20 3.64 -1.71 -2.51 116.57 117.57 1h29 h LYS 451 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1h29 h LYS 451 Cb 0.50 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1h29 h LYS 451 CO 0.02 0.36 0.03 0.82 -2.27 0.00 0.00 179.45 178.42 1h29 h ILE 452 N 0.56 1.15 -0.78 2.00 2.04 -0.61 -1.72 117.51 120.15 1h29 h ILE 452 Ca 0.26 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.75 1h29 h ILE 452 Cb 0.17 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1h29 h ILE 452 CO -0.17 0.13 0.51 0.58 0.00 0.00 0.00 178.15 179.19 1h29 h VAL 453 N -0.04 0.98 -0.34 1.67 2.07 -1.33 0.33 116.25 119.59 1h29 h VAL 453 Ca 0.03 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 1h29 h VAL 453 Cb 0.18 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1h29 h VAL 453 CO -0.00 0.14 -0.29 0.11 0.02 0.00 0.00 177.57 177.54 1h29 h LYS 454 N 0.76 0.80 -0.81 1.57 1.57 -1.22 -2.33 116.57 116.92 1h29 h LYS 454 Ca 0.35 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1h29 h LYS 454 Cb 0.36 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1h29 h LYS 454 CO -0.13 1.04 0.53 1.15 -0.57 0.00 0.00 179.45 181.47 1h29 h THR 455 N 0.58 1.15 -0.60 -0.16 2.02 -0.37 0.11 112.91 115.65 1h29 h THR 455 Ca 0.06 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1h29 h THR 455 Cb 0.87 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1h29 h THR 455 CO 0.08 0.19 0.27 -0.07 0.37 0.00 0.00 175.52 176.35 1h29 h LEU 456 N 1.03 0.81 -0.30 2.58 3.38 -0.84 -0.11 115.31 121.85 1h29 h LEU 456 Ca 0.31 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1h29 h LEU 456 Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1h29 h LEU 456 CO -0.08 0.73 0.05 0.40 0.09 0.00 0.00 178.44 179.62 1h29 h ILE 457 N 0.83 1.23 -0.60 1.22 2.04 -0.79 -2.10 117.51 119.34 1h29 h ILE 457 Ca 0.20 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1h29 h ILE 457 Cb 0.15 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1h29 h ILE 457 CO -0.02 0.27 0.38 0.00 0.00 0.00 0.00 178.15 178.78 1h29 h ALA 458 N 0.88 0.77 -0.99 1.87 0.00 -0.61 -1.58 119.26 119.60 1h29 h ALA 458 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1h29 h ALA 458 Cb 0.35 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1h29 h ALA 458 CO 0.01 0.15 0.65 0.78 0.00 0.00 0.00 179.25 180.84 1h29 h GLY 459 N 0.77 1.39 1.90 0.00 0.00 -0.88 -1.05 103.07 105.20 1h29 h GLY 459 Ca 0.23 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1h29 h GLY 459 CO -0.07 0.50 -0.17 -2.22 0.00 0.00 0.00 176.54 174.58 1h29 h ILE 460 N 1.34 1.16 0.00 2.60 2.04 -0.63 -3.47 117.51 120.55 1h29 h ILE 460 Ca 0.36 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1h29 h ILE 460 Cb -0.15 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1h29 h ILE 460 CO -0.08 0.22 0.00 0.61 0.00 0.00 0.00 178.15 178.90 1h29 n GLY 461 N -0.91 2.89 1.26 5.37 0.00 -0.40 -1.81 105.19 111.60 1h29 n GLY 461 Ca -0.02 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1h29 n GLY 461 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h29 n GLU 462 N 14.00 2.74 -1.66 1.61 1.02 -1.26 -4.96 120.64 132.12 1h29 n GLU 462 Ca 0.00 -2.39 -0.55 0.00 -0.02 0.00 0.00 57.16 54.19 1h29 n GLU 462 Cb 0.00 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 29.77 1h29 n GLU 462 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1h29 n ASP 463 N 1.30 2.10 0.07 1.62 2.03 -0.75 -4.88 116.55 118.05 1h29 n ASP 463 Ca 0.22 1.09 -0.05 0.00 0.52 0.00 0.00 54.79 56.57 1h29 n ASP 463 Cb 0.61 -1.16 -0.09 0.00 -0.72 0.00 0.00 41.12 39.76 1h29 n ASP 463 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1h29 h LYS 464 N 6.19 0.00 0.55 -0.67 6.56 -1.93 -2.31 116.57 124.96 1h29 h LYS 464 Ca -0.47 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.09 1h29 h LYS 464 Cb 1.33 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.99 1h29 h LYS 464 CO 0.89 0.89 -0.26 -0.07 -2.06 0.00 0.00 179.45 178.83 1h29 h LEU 465 N 0.00 -0.62 -0.89 2.94 3.38 -1.99 -0.20 115.31 117.92 1h29 h LEU 465 Ca -0.01 -0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.13 1h29 h LEU 465 Cb 1.70 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 42.49 1h29 h LEU 465 CO 0.12 -0.32 0.39 0.00 0.09 0.00 0.00 178.44 178.71 1h29 h ALA 466 N -0.57 1.42 -0.22 1.53 0.00 -1.97 0.13 119.26 119.59 1h29 h ALA 466 Ca -0.08 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1h29 h ALA 466 Cb 0.63 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1h29 h ALA 466 CO 0.12 -0.32 -0.37 0.00 0.00 0.00 0.00 179.25 178.68 1h29 h ALA 467 N 1.70 0.95 0.10 0.00 0.00 -0.94 -2.37 119.26 118.69 1h29 h ALA 467 Ca 0.55 -0.42 -0.31 0.00 0.00 0.00 0.00 54.91 54.73 1h29 h ALA 467 Cb 1.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1h29 h ALA 467 CO -0.51 0.62 -1.63 1.15 0.00 0.00 0.00 179.25 178.88 1h29 h THR 468 N 0.41 1.02 0.00 0.00 2.02 -0.43 -3.39 112.91 112.55 1h29 h THR 468 Ca 0.04 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 64.51 1h29 h THR 468 Cb 0.84 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1h29 h THR 468 CO 0.07 0.78 -1.08 0.49 0.37 0.00 0.00 175.52 176.15 1h29 n PHE 469 N -3.39 0.67 -2.67 3.16 3.01 0.41 -4.45 117.46 114.20 1h29 n PHE 469 Ca -0.19 0.20 -0.43 0.00 1.01 0.00 0.00 57.45 58.04 1h29 n PHE 469 Cb 1.04 -0.77 -0.01 0.00 -0.01 0.00 0.00 39.48 39.73 1h29 n PHE 469 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1h29 s HIS 470 N -3.33 2.88 -0.67 1.38 3.76 -0.89 -4.81 115.29 113.62 1h29 s HIS 470 Ca 0.00 -1.55 0.24 0.00 -0.15 0.00 0.00 55.06 53.61 1h29 s HIS 470 Cb 0.11 -4.63 0.40 0.00 1.11 0.00 0.00 32.58 29.56 1h29 s HIS 470 CO 0.80 -1.74 1.36 0.44 -0.85 0.00 0.00 174.74 174.75 1h29 n ILE 471 N 6.11 0.35 -4.37 0.60 -5.35 -1.26 -4.80 119.36 110.64 1h29 n ILE 471 Ca 0.42 -0.26 -0.30 0.00 -0.27 0.00 0.00 62.75 62.34 1h29 n ILE 471 Cb 0.47 -0.14 -0.11 0.00 -1.74 0.00 0.00 39.64 38.11 1h29 n ILE 471 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1h29 s GLU 472 N -3.15 2.01 0.31 6.28 2.02 -1.26 -4.89 118.70 120.02 1h29 s GLU 472 Ca 0.07 -1.05 0.09 0.00 0.02 0.00 0.00 54.97 54.09 1h29 s GLU 472 Cb 0.14 -2.22 0.88 0.00 0.10 0.00 0.00 34.13 33.03 1h29 s GLU 472 CO 0.71 0.51 1.70 0.87 0.02 0.00 0.00 175.26 179.07 1h29 h LYS 473 N 3.93 0.44 -0.35 1.61 1.79 -1.88 -0.29 116.57 121.81 1h29 h LYS 473 Ca -0.49 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1h29 h LYS 473 Cb 1.16 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1h29 h LYS 473 CO 0.49 0.29 0.00 0.41 -1.08 0.00 0.00 179.45 179.56 1h29 n GLY 474 N -1.32 0.86 0.24 3.86 0.00 -1.26 -3.48 105.19 104.09 1h29 n GLY 474 Ca 0.26 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1h29 n GLY 474 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1h29 h THR 475 N 2.56 0.51 -0.79 2.61 2.02 -1.40 -1.28 112.91 117.14 1h29 h THR 475 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1h29 h THR 475 Cb 0.58 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 1h29 h THR 475 CO 0.00 0.00 0.52 -0.07 0.37 0.00 0.00 175.52 176.34 1h29 h LEU 476 N -0.30 0.46 -1.31 2.58 3.38 -1.78 0.19 115.31 118.53 1h29 h LEU 476 Ca 0.07 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1h29 h LEU 476 Cb 0.40 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1h29 h LEU 476 CO -0.22 0.24 0.28 0.00 0.09 0.00 0.00 178.44 178.83 1h29 n GLN 478 N -4.39 0.13 0.27 0.00 6.02 0.68 -0.94 117.38 119.15 1h29 n GLN 478 Ca 0.05 0.19 0.14 0.00 -0.01 0.00 0.00 57.00 57.37 1h29 n GLN 478 Cb 0.11 -1.50 0.78 0.00 1.02 0.00 0.00 30.24 30.65 1h29 n GLN 478 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1h29 h GLY 479 N 2.36 0.00 0.00 1.08 0.00 -1.23 -3.27 103.07 102.01 1h29 h GLY 479 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1h29 h GLY 479 CO 0.00 0.00 -1.05 0.00 0.00 0.00 0.00 176.54 175.49 1h29 n HIS 481 N -2.69 3.29 -2.37 0.00 -0.00 -0.12 -4.95 115.22 108.38 1h29 n HIS 481 Ca -0.02 -2.82 -0.27 0.00 -0.00 0.00 0.00 57.72 54.62 1h29 n HIS 481 Cb 0.52 -2.44 0.03 0.00 -0.00 0.00 0.00 29.99 28.10 1h29 n HIS 481 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1h29 s HIS 482 N 3.44 3.28 -1.68 4.41 0.00 -1.23 -4.20 115.29 119.30 1h29 s HIS 482 Ca 0.49 0.69 0.00 0.00 -3.00 0.00 0.00 55.06 53.23 1h29 s HIS 482 Cb 0.14 -2.73 0.00 0.00 -4.00 0.00 0.00 32.58 25.99 1h29 s HIS 482 CO -0.06 -0.81 0.00 0.09 -1.00 0.00 0.00 174.74 172.95 1h29 n ASN 483 N -2.59 -4.94 -4.11 7.38 3.02 -1.26 -4.98 115.26 107.77 1h29 n ASN 483 Ca 0.04 0.34 -0.08 0.00 -0.03 0.00 0.00 54.58 54.85 1h29 n ASN 483 Cb 0.57 -3.91 -0.10 0.00 -0.61 0.00 0.00 39.78 35.74 1h29 n ASN 483 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1h29 s SER 484 N -2.74 0.53 0.81 6.41 1.04 -1.26 -5.15 113.70 113.33 1h29 s SER 484 Ca 0.00 -1.04 -0.13 0.00 0.48 0.00 0.00 55.95 55.25 1h29 s SER 484 Cb 0.00 0.21 0.08 0.00 0.10 0.00 0.00 66.02 66.40 1h29 s SER 484 CO 0.00 -0.61 1.14 -2.65 0.98 0.00 0.00 173.24 172.10 1h29 n PRO 485 N 0.05 0.16 -2.07 4.02 -0.02 -1.26 -4.88 135.00 131.00 1h29 n PRO 485 Ca -0.12 0.13 -0.40 0.00 -2.02 0.00 0.00 63.50 61.09 1h29 n PRO 485 Cb 0.62 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1h29 n PRO 485 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h29 s ALA 486 N -2.13 2.45 0.22 3.55 0.00 -1.26 -4.93 121.76 119.65 1h29 s ALA 486 Ca 0.72 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1h29 s ALA 486 Cb -0.29 -4.19 -0.05 0.00 0.00 0.00 0.00 23.12 18.58 1h29 s ALA 486 CO 0.52 -3.41 -0.05 0.45 0.00 0.00 0.00 175.76 173.27 1h29 s SER 487 N 7.06 2.12 0.06 0.00 0.15 -1.26 -4.71 113.70 117.12 1h29 s SER 487 Ca 0.69 -1.15 0.25 0.00 0.70 0.00 0.00 55.95 56.44 1h29 s SER 487 Cb -0.15 -0.05 0.59 0.00 -1.71 0.00 0.00 66.02 64.70 1h29 s SER 487 CO 0.25 -0.40 1.49 0.18 1.20 0.00 0.00 173.24 175.96 1h29 n LEU 488 N -0.41 0.51 -3.17 3.45 4.77 -1.26 -4.41 117.00 116.48 1h29 n LEU 488 Ca -0.06 0.21 -0.26 0.00 -0.03 0.00 0.00 56.01 55.86 1h29 n LEU 488 Cb 0.63 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1h29 n LEU 488 CO 0.36 0.02 0.05 0.35 -1.33 0.00 0.00 177.39 176.84 1h29 n THR 489 N -1.78 2.16 -1.44 -5.08 -2.24 -1.26 -4.96 114.28 99.68 1h29 n THR 489 Ca 0.05 -5.21 -0.32 0.00 -2.27 0.00 0.00 64.05 56.29 1h29 n THR 489 Cb 0.38 -1.61 0.08 0.00 -2.10 0.00 0.00 70.33 67.08 1h29 n THR 489 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1h29 s PRO 490 N -2.79 2.38 0.56 -0.78 0.04 -1.26 -4.99 135.00 128.16 1h29 s PRO 490 Ca 0.43 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 1h29 s PRO 490 Cb 0.23 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 1h29 s PRO 490 CO -0.08 -1.57 1.04 -1.25 0.04 0.00 0.00 177.00 175.18 1h29 s PRO 491 N -4.45 3.53 0.52 0.56 0.04 -1.26 -5.02 135.00 128.93 1h29 s PRO 491 Ca 0.65 1.18 -0.22 0.00 0.04 0.00 0.00 61.00 62.65 1h29 s PRO 491 Cb -0.20 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 1h29 s PRO 491 CO 0.49 -0.63 1.29 1.63 0.04 0.00 0.00 177.00 179.82 1h29 n LYS 492 N -1.75 1.68 -0.29 4.56 5.02 -1.26 -4.91 118.16 121.21 1h29 n LYS 492 Ca 0.08 0.61 0.03 0.00 -2.02 0.00 0.00 58.31 57.01 1h29 n LYS 492 Cb 0.53 -2.48 0.23 0.00 -0.02 0.00 0.00 35.03 33.29 1h29 n LYS 492 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h29 h ALA 494 N 1.50 2.68 -0.17 0.00 0.00 -1.91 0.18 119.26 121.54 1h29 h ALA 494 Ca 0.36 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.33 1h29 h ALA 494 Cb 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1h29 h ALA 494 CO -0.12 -1.03 0.21 0.66 0.00 0.00 0.00 179.25 178.97 1h29 h SER 495 N 0.17 0.00 0.00 0.00 4.64 -1.65 -2.90 113.55 113.80 1h29 h SER 495 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1h29 h SER 495 Cb 1.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 1h29 h SER 495 CO -0.12 0.00 -0.85 0.00 -0.87 0.00 0.00 176.83 174.99 1h29 s HIS 497 N -1.74 3.12 0.00 0.00 3.76 0.59 -4.99 115.29 116.03 1h29 s HIS 497 Ca 0.00 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1h29 s HIS 497 Cb 0.00 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.61 1h29 s HIS 497 CO 0.00 -0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.22 1h29 n GLY 498 N 3.97 -0.67 0.00 -2.22 0.00 -1.25 -4.07 105.19 100.96 1h29 n GLY 498 Ca -0.17 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1h29 n GLY 498 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h29 n LYS 499 N -0.26 0.00 0.00 1.61 4.81 -1.26 -4.94 118.16 118.12 1h29 n LYS 499 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1h29 n LYS 499 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1h29 n LYS 499 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h29 n GLY 506 N 0.00 0.00 0.00 3.14 0.00 -1.26 -5.18 105.19 101.89 1h29 n GLY 506 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h29 n GLY 506 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h29 n ASP 507 N 0.00 0.00 -2.81 1.61 5.68 -1.26 -4.74 116.55 115.04 1h29 n ASP 507 Ca 0.00 0.32 -0.35 0.00 -0.50 0.00 0.00 54.79 54.26 1h29 n ASP 507 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 1h29 n ASP 507 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1h29 n ARG 508 N -0.66 0.00 -0.79 0.11 1.74 -1.26 -4.87 116.66 110.93 1h29 n ARG 508 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1h29 n ARG 508 Cb 0.00 -0.86 0.17 0.00 -1.02 0.00 0.00 32.46 30.75 1h29 n ARG 508 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1h29 s PRO 509 N -0.16 0.92 1.27 5.56 0.02 -1.26 -4.89 135.00 136.44 1h29 s PRO 509 Ca 0.53 1.34 -0.18 0.00 0.02 0.00 0.00 61.00 62.71 1h29 s PRO 509 Cb -0.74 -1.73 0.31 0.00 0.02 0.00 0.00 34.50 32.36 1h29 s PRO 509 CO 0.36 -2.63 1.00 0.20 -0.33 0.00 0.00 177.00 175.59 1h29 s GLY 510 N -2.80 1.49 0.08 0.52 0.00 -1.26 -3.85 107.32 101.50 1h29 s GLY 510 Ca 0.66 -0.54 -0.16 0.00 0.00 0.00 0.00 44.72 44.67 1h29 s GLY 510 CO 0.59 0.31 1.39 -2.00 0.00 0.00 0.00 173.10 173.39 1h29 h LEU 511 N -2.90 0.66 -0.27 0.66 5.85 -1.94 -1.91 115.31 115.46 1h29 h LEU 511 Ca -0.52 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 57.72 1h29 h LEU 511 Cb 1.33 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1h29 h LEU 511 CO 0.41 1.01 0.18 0.50 -0.34 0.00 0.00 178.44 180.20 1h29 h LYS 512 N 0.32 0.35 -0.54 1.25 3.64 -1.95 -0.16 116.57 119.49 1h29 h LYS 512 Ca 0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1h29 h LYS 512 Cb 0.84 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1h29 h LYS 512 CO 0.07 0.23 0.22 0.00 -2.27 0.00 0.00 179.45 177.70 1h29 h ALA 513 N 1.10 1.37 -0.14 5.00 0.00 -1.93 0.59 119.26 125.26 1h29 h ALA 513 Ca 0.10 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1h29 h ALA 513 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1h29 h ALA 513 CO -0.03 0.48 -0.54 0.00 0.00 0.00 0.00 179.25 179.16 1h29 h ALA 514 N 1.47 0.81 0.02 0.00 0.00 -0.48 0.24 119.26 121.31 1h29 h ALA 514 Ca 0.19 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1h29 h ALA 514 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1h29 h ALA 514 CO -0.02 0.69 -0.01 1.88 0.00 0.00 0.00 179.25 181.79 1h29 h TYR 515 N 0.31 -0.02 -0.70 0.00 0.99 -0.56 -2.32 116.97 114.66 1h29 h TYR 515 Ca 0.01 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1h29 h TYR 515 Cb 1.05 0.01 -0.03 0.00 1.00 0.00 0.00 36.73 38.75 1h29 h TYR 515 CO 0.03 0.37 0.30 0.45 -0.00 0.00 0.00 178.16 179.32 1h29 h HIS 516 N -0.42 1.03 -0.04 4.88 3.86 -0.78 0.90 115.15 124.58 1h29 h HIS 516 Ca -0.00 -0.06 -0.19 0.00 -1.16 0.00 0.00 60.37 58.96 1h29 h HIS 516 Cb 0.40 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1h29 h HIS 516 CO 0.06 0.77 -0.80 0.37 0.86 0.00 0.00 177.93 179.19 1h29 h GLN 517 N 1.01 0.35 0.19 2.45 4.15 -0.55 0.09 115.11 122.79 1h29 h GLN 517 Ca 0.24 -0.32 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1h29 h GLN 517 Cb 0.16 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1h29 h GLN 517 CO -0.02 0.98 -0.09 0.37 -1.93 0.00 0.00 178.83 178.14 1h29 h GLN 518 N 0.22 -0.25 0.81 1.69 4.15 -1.13 -1.86 115.11 118.74 1h29 h GLN 518 Ca -0.04 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1h29 h GLN 518 Cb 1.40 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.14 1h29 h GLN 518 CO 0.13 0.15 -0.50 0.00 -1.93 0.00 0.00 178.83 176.68 1h29 h MET 520 N -1.23 1.21 -0.41 0.00 2.86 -1.14 -2.61 114.93 113.62 1h29 h MET 520 Ca -0.11 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1h29 h MET 520 Cb 0.98 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1h29 h MET 520 CO 0.11 0.90 0.15 0.78 1.06 0.00 0.00 176.91 179.91 1h29 h GLY 521 N 1.20 0.66 0.85 8.32 0.00 -1.26 -0.69 103.07 112.15 1h29 h GLY 521 Ca 0.30 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1h29 h GLY 521 CO -0.04 0.35 -0.01 0.00 0.00 0.00 0.00 176.54 176.83 1h29 h HIS 523 N -0.19 0.67 -0.03 0.00 3.86 -1.20 -1.18 115.15 117.08 1h29 h HIS 523 Ca -0.00 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.05 1h29 h HIS 523 Cb 0.18 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1h29 h HIS 523 CO -0.02 0.10 -0.77 -0.44 0.86 0.00 0.00 177.93 177.66 1h29 h ASP 524 N 0.44 0.32 1.00 2.45 3.45 -0.81 -0.71 116.42 122.56 1h29 h ASP 524 Ca 0.56 -0.23 -0.03 0.00 0.43 0.00 0.00 57.03 57.76 1h29 h ASP 524 Cb 1.35 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 40.02 1h29 h ASP 524 CO -0.27 0.97 -1.02 0.03 -1.57 0.00 0.00 179.24 177.38 1h29 h ARG 525 N 0.17 0.00 -0.03 3.56 3.08 -0.77 -3.27 114.38 117.12 1h29 h ARG 525 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1h29 h ARG 525 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1h29 h ARG 525 CO 0.12 0.06 0.00 -1.33 -1.07 0.00 0.00 179.97 177.75 1h29 n MET 526 N -2.74 2.24 -3.56 0.04 2.81 -0.63 -4.40 117.12 110.87 1h29 n MET 526 Ca -0.02 -1.80 -0.21 0.00 -1.81 0.00 0.00 57.70 53.86 1h29 n MET 526 Cb 0.60 -1.46 0.07 0.00 -0.71 0.00 0.00 33.22 31.72 1h29 n MET 526 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1h29 n LYS 527 N 1.20 -6.82 -2.60 0.03 5.02 -1.05 -4.87 118.16 109.06 1h29 n LYS 527 Ca 0.15 0.79 -0.42 0.00 -2.02 0.00 0.00 58.31 56.81 1h29 n LYS 527 Cb 0.57 -5.76 -0.02 0.00 -0.02 0.00 0.00 35.03 29.79 1h29 n LYS 527 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1h29 s ILE 528 N -3.38 4.08 0.16 -0.18 -1.09 -0.30 -4.82 121.20 115.67 1h29 s ILE 528 Ca 0.27 0.96 0.17 0.00 -2.23 0.00 0.00 60.65 59.81 1h29 s ILE 528 Cb -0.12 -4.69 0.10 0.00 -1.58 0.00 0.00 42.46 36.17 1h29 s ILE 528 CO 0.75 -1.25 1.68 -0.08 -1.23 0.00 0.00 174.94 174.82 1h29 h GLU 529 N 9.45 0.00 0.00 2.79 4.81 -1.93 -3.43 114.58 126.27 1h29 h GLU 529 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1h29 h GLU 529 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1h29 h GLU 529 CO 1.17 0.43 0.00 1.63 -0.73 0.00 0.00 179.01 181.51 1h29 n LYS 530 N -3.54 0.00 -3.02 1.92 5.02 -1.26 -2.14 118.16 115.13 1h29 n LYS 530 Ca -0.00 0.41 -0.41 0.00 -2.02 0.00 0.00 58.31 56.28 1h29 n LYS 530 Cb 0.55 -0.73 -0.06 0.00 -0.02 0.00 0.00 35.03 34.77 1h29 n LYS 530 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1h29 s PRO 531 N -1.50 4.02 0.40 1.97 0.04 -1.26 -5.09 135.00 133.57 1h29 s PRO 531 Ca 0.00 0.56 -0.25 0.00 0.04 0.00 0.00 61.00 61.35 1h29 s PRO 531 Cb 0.00 -3.70 -0.08 0.00 0.04 0.00 0.00 34.50 30.76 1h29 s PRO 531 CO 0.00 -0.56 1.19 0.00 0.04 0.00 0.00 177.00 177.67 1h29 s ALA 532 N 2.74 3.17 0.07 8.56 0.00 -0.91 -4.93 121.76 130.46 1h29 s ALA 532 Ca 0.29 1.00 0.30 0.00 0.00 0.00 0.00 51.96 53.56 1h29 s ALA 532 Cb -0.15 -3.40 1.57 0.00 0.00 0.00 0.00 23.12 21.15 1h29 s ALA 532 CO 0.10 -0.57 1.91 -0.91 0.00 0.00 0.00 175.76 176.30 1h29 h ASN 533 N 2.66 0.00 0.36 0.00 2.35 -1.92 -2.01 115.58 117.02 1h29 h ASN 533 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1h29 h ASN 533 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1h29 h ASN 533 CO 0.63 0.00 -0.62 0.35 -1.65 0.00 0.00 177.43 176.14 1h29 n THR 534 N -2.56 0.00 -2.67 2.81 -2.24 -1.26 -4.69 114.28 103.67 1h29 n THR 534 Ca -0.02 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 1h29 n THR 534 Cb 0.08 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1h29 n THR 534 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h29 n ALA 535 N -1.45 4.06 -0.19 6.98 0.00 -0.76 -4.84 120.51 124.31 1h29 n ALA 535 Ca 0.05 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.40 1h29 n ALA 535 Cb 0.34 -3.26 0.09 0.00 0.00 0.00 0.00 19.45 16.62 1h29 n ALA 535 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h29 n VAL 537 N -5.25 0.00 1.04 0.00 0.24 -1.25 -3.22 118.33 109.89 1h29 n VAL 537 Ca 0.08 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.51 1h29 n VAL 537 Cb 0.33 -0.44 0.37 0.00 -1.47 0.00 0.00 33.84 32.63 1h29 n VAL 537 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1h29 n ASP 538 N -0.91 0.41 -0.02 -1.34 9.92 -0.30 -3.75 116.55 120.57 1h29 n ASP 538 Ca 0.18 -0.13 -0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1h29 n ASP 538 Cb 0.08 0.05 -0.05 0.00 -0.64 0.00 0.00 41.12 40.56 1h29 n ASP 538 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h29 s HIS 540 N -2.30 -0.80 0.83 0.00 0.00 -1.22 -3.78 115.29 108.02 1h29 s HIS 540 Ca -0.03 1.58 -0.11 0.00 -3.00 0.00 0.00 55.06 53.49 1h29 s HIS 540 Cb 0.03 0.37 0.09 0.00 -4.00 0.00 0.00 32.58 29.07 1h29 s HIS 540 CO 0.28 -0.45 1.09 0.15 -1.00 0.00 0.00 174.74 174.81 1h29 s LYS 541 N 2.02 1.80 0.01 -0.38 1.02 -1.25 -3.79 119.74 119.17 1h29 s LYS 541 Ca -0.06 0.78 -0.30 0.00 0.02 0.00 0.00 55.97 56.41 1h29 s LYS 541 Cb -0.10 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 1h29 s LYS 541 CO -0.14 -1.85 1.00 -2.00 -0.92 0.00 0.00 175.35 171.44 1h29 s GLU 542 N -5.03 4.55 0.24 1.68 2.12 -1.26 0.48 118.70 121.47 1h29 s GLU 542 Ca 0.62 1.46 -0.30 0.00 0.36 0.00 0.00 54.97 57.11 1h29 s GLU 542 Cb -0.16 -3.45 -0.09 0.00 0.26 0.00 0.00 34.13 30.69 1h29 s GLU 542 CO 0.56 -0.07 1.08 0.50 -0.54 0.00 0.00 175.26 176.78 1h29 s ARG 543 N 1.00 4.66 0.00 4.30 6.06 -1.20 -4.62 118.95 129.15 1h29 s ARG 543 Ca 0.53 1.73 0.21 0.00 -2.50 0.00 0.00 55.73 55.70 1h29 s ARG 543 Cb -0.22 -3.23 0.17 0.00 0.06 0.00 0.00 34.95 31.73 1h29 s ARG 543 CO 0.28 0.21 1.16 0.00 -2.50 0.00 0.00 175.30 174.46