#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 1.20 3.74 0.55 0.00 -1.25 -4.87 105.19 104.56 1h29 n GLY 39 Ca 0.00 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1h29 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h29 s GLU 40 N 1.66 2.54 -0.08 1.61 0.41 -1.26 -4.33 118.70 119.25 1h29 s GLU 40 Ca 0.00 1.80 -0.30 0.00 -0.41 0.00 0.00 54.97 56.06 1h29 s GLU 40 Cb 0.00 -1.88 -0.03 0.00 -1.78 0.00 0.00 34.13 30.45 1h29 s GLU 40 CO 0.00 -1.54 1.15 0.15 -0.49 0.00 0.00 175.26 174.53 1h29 s LYS 41 N -3.64 4.36 0.24 1.61 1.02 -1.26 -2.31 119.74 119.76 1h29 s LYS 41 Ca 0.76 1.59 0.09 0.00 0.02 0.00 0.00 55.97 58.43 1h29 s LYS 41 Cb -0.30 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 1h29 s LYS 41 CO 0.40 -0.43 -0.02 1.03 -0.92 0.00 0.00 175.35 175.41 1h29 s ARG 42 N 2.24 2.28 0.00 1.68 1.81 0.12 -4.66 118.95 122.42 1h29 s ARG 42 Ca 0.53 -1.34 0.04 0.00 -1.72 0.00 0.00 55.73 53.25 1h29 s ARG 42 Cb -0.23 -2.19 0.06 0.00 -0.45 0.00 0.00 34.95 32.14 1h29 s ARG 42 CO 0.20 0.39 0.75 0.00 -0.68 0.00 0.00 175.30 175.96 1h29 n ALA 43 N -0.64 2.40 -0.47 2.13 0.00 -1.26 0.11 120.51 122.78 1h29 n ALA 43 Ca -0.08 -0.65 0.07 0.00 0.00 0.00 0.00 53.44 52.78 1h29 n ALA 43 Cb 0.58 -0.16 0.22 0.00 0.00 0.00 0.00 19.45 20.09 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 0.18 3.47 -4.73 0.00 3.85 -1.26 -4.50 116.55 113.56 1h29 n ASP 44 Ca 0.03 -2.34 -0.42 0.00 -0.71 0.00 0.00 54.79 51.36 1h29 n ASP 44 Cb 0.16 -0.37 -0.03 0.00 -1.35 0.00 0.00 41.12 39.53 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 -1.61 4.40 -0.09 -2.12 1.43 -1.26 -1.45 118.68 117.98 1h29 s LEU 45 Ca 0.33 2.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.72 1h29 s LEU 45 Cb 0.21 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.85 1h29 s LEU 45 CO 0.16 -0.51 -0.14 -0.63 0.23 0.00 0.00 176.35 175.45 1h29 s ILE 46 N 0.52 1.36 -0.44 -0.59 1.01 -0.33 -4.96 121.20 117.76 1h29 s ILE 46 Ca 0.58 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 60.45 1h29 s ILE 46 Cb -0.34 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 40.92 1h29 s ILE 46 CO 0.34 0.41 0.61 -0.70 0.00 0.00 0.00 174.94 175.60 1h29 s GLU 47 N 0.82 3.23 -0.43 2.79 2.12 -1.26 -0.86 118.70 125.10 1h29 s GLU 47 Ca -0.11 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.44 1h29 s GLU 47 Cb -0.15 -3.97 0.03 0.00 0.26 0.00 0.00 34.13 30.29 1h29 s GLU 47 CO 0.02 -1.01 1.11 0.42 -0.54 0.00 0.00 175.26 175.25 1h29 s ILE 48 N 2.70 4.31 0.00 -3.70 1.01 0.48 -4.79 121.20 121.20 1h29 s ILE 48 Ca 0.20 1.33 0.13 0.00 0.00 0.00 0.00 60.65 62.31 1h29 s ILE 48 Cb -0.15 -4.54 0.22 0.00 0.01 0.00 0.00 42.46 37.99 1h29 s ILE 48 CO 0.17 -0.85 1.06 0.61 0.00 0.00 0.00 174.94 175.93 1h29 n GLY 49 N 4.59 0.78 0.38 6.18 0.00 -1.26 -1.85 105.19 114.00 1h29 n GLY 49 Ca 0.12 -0.43 0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 0.50 2.43 0.00 4.61 0.00 -2.01 -2.15 119.26 122.64 1h29 h ALA 50 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1h29 h ALA 50 Cb 1.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1h29 h ALA 50 CO -0.06 -0.62 0.00 0.52 0.00 0.00 0.00 179.25 179.09 1h29 h MET 51 N 0.00 0.00 0.00 0.00 2.86 -1.95 -3.17 114.93 112.67 1h29 h MET 51 Ca 0.23 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1h29 h MET 51 Cb 0.96 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.62 1h29 h MET 51 CO -0.00 0.00 -0.00 1.49 1.06 0.00 0.00 176.91 179.46 1h29 h GLU 52 N 0.00 0.00 0.00 1.72 4.81 -1.55 -1.93 114.58 117.63 1h29 h GLU 52 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1h29 h GLU 52 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1h29 h GLU 52 CO 0.00 0.00 0.00 0.07 -0.73 0.00 0.00 179.01 178.35 1h29 h ARG 53 N 0.00 0.00 -0.00 1.92 0.11 -1.78 -2.77 114.38 111.86 1h29 h ARG 53 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1h29 h ARG 53 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1h29 h ARG 53 CO 0.00 0.00 -0.24 1.19 0.10 0.00 0.00 179.97 181.02 1h29 n PHE 54 N -2.97 0.00 -0.32 4.08 3.01 -0.73 -5.03 117.46 115.51 1h29 n PHE 54 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1h29 n PHE 54 Cb 0.39 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 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 1.37 0.27 3.72 1.37 0.00 -1.05 -4.99 105.19 105.88 1h29 n GLY 55 Ca 0.11 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.50 4.24 0.10 1.61 2.20 -1.26 -4.20 119.74 120.94 1h29 s LYS 56 Ca 0.00 2.30 -0.30 0.00 -0.36 0.00 0.00 55.97 57.60 1h29 s LYS 56 Cb 0.00 -3.16 -0.06 0.00 -1.51 0.00 0.00 37.83 33.10 1h29 s LYS 56 CO 0.00 -0.54 1.05 -0.51 -0.36 0.00 0.00 175.35 174.99 1h29 s LEU 57 N 0.86 4.45 0.22 5.43 1.43 -1.26 -4.96 118.68 124.85 1h29 s LEU 57 Ca 0.67 1.90 0.04 0.00 -1.03 0.00 0.00 54.13 55.71 1h29 s LEU 57 Cb -0.42 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.40 1h29 s LEU 57 CO 0.33 -0.22 1.51 0.44 0.23 0.00 0.00 176.35 178.64 1h29 h ASP 58 N 5.88 0.24 -2.86 2.29 3.45 -2.02 -3.47 116.42 119.94 1h29 h ASP 58 Ca -0.43 -0.15 -0.51 0.00 0.43 0.00 0.00 57.03 56.37 1h29 h ASP 58 Cb 1.21 -0.07 -0.14 0.00 -0.56 0.00 0.00 39.33 39.77 1h29 h ASP 58 CO 0.74 0.85 -0.74 -0.76 -1.57 0.00 0.00 179.24 177.75 1h29 s LEU 59 N -7.75 2.57 0.83 1.55 1.43 -1.26 -5.13 118.68 110.91 1h29 s LEU 59 Ca -0.03 -1.02 -0.14 0.00 -1.03 0.00 0.00 54.13 51.91 1h29 s LEU 59 Cb 0.11 -0.83 0.04 0.00 0.03 0.00 0.00 46.19 45.54 1h29 s LEU 59 CO 0.80 -0.09 0.80 -2.65 0.23 0.00 0.00 176.35 175.45 1h29 n PRO 60 N -0.45 0.06 -1.78 1.29 -0.02 -1.26 -4.98 135.00 127.86 1h29 n PRO 60 Ca -0.07 0.08 -0.35 0.00 -2.02 0.00 0.00 63.50 61.15 1h29 n PRO 60 Cb 0.60 -2.11 0.05 0.00 -0.02 0.00 0.00 33.50 32.02 1h29 n PRO 60 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1h29 s LYS 61 N -3.63 2.70 -0.36 -0.52 1.02 -1.26 -4.70 119.74 112.99 1h29 s LYS 61 Ca 0.67 1.67 -0.16 0.00 0.02 0.00 0.00 55.97 58.16 1h29 s LYS 61 Cb -0.28 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 1h29 s LYS 61 CO 0.57 -1.38 0.39 0.08 -0.92 0.00 0.00 175.35 174.09 1h29 s VAL 62 N -1.94 5.14 0.01 3.17 1.01 -0.77 -4.09 120.40 122.93 1h29 s VAL 62 Ca 0.73 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 1h29 s VAL 62 Cb -0.27 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 1h29 s VAL 62 CO 0.39 -0.17 1.44 0.00 0.00 0.00 0.00 175.10 176.76 1h29 s ALA 63 N 2.08 3.60 -0.07 5.51 0.00 -1.25 -0.39 121.76 131.24 1h29 s ALA 63 Ca 0.13 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.05 1h29 s ALA 63 Cb -0.17 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.35 1h29 s ALA 63 CO 0.12 -0.94 -0.15 0.12 0.00 0.00 0.00 175.76 174.90 1h29 s PHE 64 N 2.43 1.73 -0.46 0.00 5.36 -0.04 -4.97 117.98 122.02 1h29 s PHE 64 Ca 0.65 -0.64 -0.17 0.00 -0.96 0.00 0.00 56.93 55.82 1h29 s PHE 64 Cb -0.33 -1.22 0.05 0.00 -0.34 0.00 0.00 43.02 41.19 1h29 s PHE 64 CO 0.27 -0.29 0.44 1.03 -1.46 0.00 0.00 175.22 175.22 1h29 s ARG 65 N 0.50 3.03 0.17 10.12 0.52 -1.26 -1.19 118.95 130.84 1h29 s ARG 65 Ca -0.14 -1.11 -0.10 0.00 -0.52 0.00 0.00 55.73 53.86 1h29 s ARG 65 Cb -0.16 -4.08 0.06 0.00 0.52 0.00 0.00 34.95 31.30 1h29 s ARG 65 CO 0.05 -1.01 1.66 1.25 0.02 0.00 0.00 175.30 177.26 1h29 h HIS 66 N 8.79 1.07 -0.20 -0.53 2.76 -1.62 -2.48 115.15 122.94 1h29 h HIS 66 Ca -0.28 -0.15 -0.16 0.00 -2.20 0.00 0.00 60.37 57.58 1h29 h HIS 66 Cb 1.11 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 1h29 h HIS 66 CO 0.65 0.93 -0.54 -0.44 -1.30 0.00 0.00 177.93 177.22 1h29 h ASP 67 N 0.90 0.67 0.09 3.26 3.32 -1.93 0.14 116.42 122.87 1h29 h ASP 67 Ca 0.18 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 1h29 h ASP 67 Cb 0.44 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1h29 h ASP 67 CO 0.01 1.08 -0.15 -0.61 -1.72 0.00 0.00 179.24 177.85 1h29 h GLN 68 N 0.46 0.13 0.17 3.56 4.15 -1.91 -1.59 115.11 120.08 1h29 h GLN 68 Ca 0.01 -0.03 -0.26 0.00 0.77 0.00 0.00 58.65 59.14 1h29 h GLN 68 Cb 1.09 -0.02 0.03 0.00 0.21 0.00 0.00 27.48 28.79 1h29 h GLN 68 CO 0.11 0.30 -1.12 0.45 -1.93 0.00 0.00 178.83 176.63 1h29 h HIS 69 N 0.13 0.80 -0.71 3.99 3.86 -1.15 -2.94 115.15 119.13 1h29 h HIS 69 Ca 0.03 -0.56 -0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1h29 h HIS 69 Cb 0.36 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1h29 h HIS 69 CO 0.00 1.42 0.43 1.79 0.86 0.00 0.00 177.93 182.44 1h29 h THR 70 N -0.04 1.20 -0.24 2.45 1.35 -0.39 -1.77 112.91 115.47 1h29 h THR 70 Ca -0.19 -0.44 -0.20 0.00 -0.55 0.00 0.00 66.41 65.03 1h29 h THR 70 Cb 1.86 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1h29 h THR 70 CO 0.21 0.21 -0.62 0.71 -0.25 0.00 0.00 175.52 175.78 1h29 h THR 71 N 0.97 1.28 -0.60 6.82 1.35 -1.42 0.24 112.91 121.55 1h29 h THR 71 Ca 0.26 -1.82 0.07 0.00 -0.55 0.00 0.00 66.41 64.37 1h29 h THR 71 Cb -0.04 1.76 -0.06 0.00 -1.73 0.00 0.00 68.15 68.08 1h29 h THR 71 CO -0.05 0.59 0.28 0.00 -0.25 0.00 0.00 175.52 176.08 1h29 h ALA 72 N 0.68 0.79 -0.19 6.62 0.00 -1.43 -1.30 119.26 124.43 1h29 h ALA 72 Ca -0.01 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1h29 h ALA 72 Cb 1.23 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1h29 h ALA 72 CO 0.13 -0.11 -0.59 0.28 0.00 0.00 0.00 179.25 178.96 1h29 h VAL 73 N 0.50 1.30 -0.62 0.00 2.07 -1.13 -1.76 116.25 116.61 1h29 h VAL 73 Ca 0.29 -1.81 0.13 0.00 0.82 0.00 0.00 66.70 66.12 1h29 h VAL 73 Cb 0.28 1.91 -0.10 0.00 -1.52 0.00 0.00 31.29 31.86 1h29 h VAL 73 CO -0.24 0.57 0.03 0.74 0.02 0.00 0.00 177.57 178.69 1h29 h THR 74 N 0.44 0.51 0.00 2.57 2.02 -0.34 -1.23 112.91 116.88 1h29 h THR 74 Ca -0.02 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1h29 h THR 74 Cb 1.21 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1h29 h THR 74 CO 0.13 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.65 1h29 n GLY 75 N -1.36 -1.31 0.13 2.16 0.00 -0.51 -1.02 105.19 103.29 1h29 n GLY 75 Ca 0.09 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.16 1h29 n GLY 75 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1h29 n MET 76 N -1.43 0.86 -0.42 1.61 1.56 -0.56 -4.90 117.12 113.83 1h29 n MET 76 Ca 0.08 -0.27 0.00 0.00 -0.27 0.00 0.00 57.70 57.24 1h29 n MET 76 Cb 0.27 -1.49 0.00 0.00 2.15 0.00 0.00 33.22 34.15 1h29 n MET 76 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1h29 n GLY 77 N 1.21 1.36 0.00 -5.12 0.00 -0.19 -5.04 105.19 97.42 1h29 n GLY 77 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 0.78 -1.23 1.61 5.02 -0.65 -4.98 118.16 116.70 1h29 n LYS 78 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1h29 n LYS 78 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -2.83 0.00 -0.28 4.39 3.85 -1.26 -3.77 116.55 116.66 1h29 n ASP 79 Ca 0.00 -0.94 0.18 0.00 -0.71 0.00 0.00 54.79 53.31 1h29 n ASP 79 Cb 0.00 0.00 0.33 0.00 -1.35 0.00 0.00 41.12 40.10 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 -2.92 1.36 0.31 0.00 0.00 -1.26 -1.02 120.51 116.97 1h29 n ALA 81 Ca 0.24 0.01 0.17 0.00 0.00 0.00 0.00 53.44 53.87 1h29 n ALA 81 Cb 0.79 -1.18 0.77 0.00 0.00 0.00 0.00 19.45 19.84 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 2.24 1.00 0.00 0.00 0.00 -1.49 -3.36 119.26 117.65 1h29 h ALA 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h29 h ALA 82 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1h29 h ALA 82 CO 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 1h29 s HIS 84 N -0.04 2.46 0.74 0.00 3.76 -0.40 -0.23 115.29 121.58 1h29 s HIS 84 Ca 0.00 -1.25 -0.08 0.00 -0.15 0.00 0.00 55.06 53.58 1h29 s HIS 84 Cb 0.00 -1.70 0.08 0.00 1.11 0.00 0.00 32.58 32.06 1h29 s HIS 84 CO 0.00 -0.60 1.07 0.15 -0.85 0.00 0.00 174.74 174.51 1h29 s LYS 85 N 0.95 2.02 0.11 1.40 1.02 -1.26 -4.17 119.74 119.80 1h29 s LYS 85 Ca -0.05 -0.23 0.05 0.00 0.02 0.00 0.00 55.97 55.75 1h29 s LYS 85 Cb -0.15 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1h29 s LYS 85 CO -0.03 -1.40 -0.12 -1.12 -0.92 0.00 0.00 175.35 171.76 1h29 s SER 86 N -4.57 1.68 -0.04 2.83 0.01 -1.26 -1.71 113.70 110.64 1h29 s SER 86 Ca 0.62 -0.82 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 1h29 s SER 86 Cb -0.10 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.14 1h29 s SER 86 CO 0.46 -0.22 0.05 -0.75 0.41 0.00 0.00 173.24 173.19 1h29 s LYS 87 N -2.77 -0.02 -1.82 12.44 2.47 -0.12 -4.88 119.74 125.04 1h29 s LYS 87 Ca 0.07 0.34 0.00 0.00 -1.56 0.00 0.00 55.97 54.82 1h29 s LYS 87 Cb -0.03 -0.53 0.00 0.00 -1.46 0.00 0.00 37.83 35.80 1h29 s LYS 87 CO 0.01 -0.31 0.00 -0.25 0.16 0.00 0.00 175.35 174.96 1h29 n ASP 88 N 5.20 -5.06 0.00 1.43 10.43 -1.26 -1.67 116.55 125.62 1h29 n ASP 88 Ca -0.05 0.30 0.00 0.00 2.57 0.00 0.00 54.79 57.61 1h29 n ASP 88 Cb 0.50 -4.41 0.00 0.00 1.84 0.00 0.00 41.12 39.05 1h29 n ASP 88 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1h29 n GLY 89 N -0.58 2.93 3.71 0.44 0.00 -1.26 -5.04 105.19 105.38 1h29 n GLY 89 Ca -0.20 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1h29 n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h29 s LYS 90 N 0.00 4.29 0.03 1.61 2.47 -0.67 -4.99 119.74 122.47 1h29 s LYS 90 Ca 0.00 2.13 -0.22 0.00 -1.56 0.00 0.00 55.97 56.32 1h29 s LYS 90 Cb 0.00 -3.31 -0.06 0.00 -1.46 0.00 0.00 37.83 33.01 1h29 s LYS 90 CO 0.00 -0.51 0.65 1.41 0.16 0.00 0.00 175.35 177.06 1h29 s MET 91 N 1.42 4.38 0.25 4.03 -2.45 -1.26 -0.94 119.30 124.72 1h29 s MET 91 Ca 0.66 0.86 -0.28 0.00 -1.25 0.00 0.00 55.69 55.68 1h29 s MET 91 Cb -0.38 -3.34 -0.09 0.00 1.25 0.00 0.00 34.83 32.28 1h29 s MET 91 CO 0.30 0.38 0.91 0.45 1.05 0.00 0.00 175.02 178.11 1h29 s SER 92 N -0.28 7.51 0.00 1.11 0.15 -0.69 -4.95 113.70 116.55 1h29 s SER 92 Ca 0.33 1.86 0.29 0.00 0.70 0.00 0.00 55.95 59.13 1h29 s SER 92 Cb -0.19 -2.58 1.19 0.00 -1.71 0.00 0.00 66.02 62.73 1h29 s SER 92 CO 0.20 0.11 1.83 0.18 1.20 0.00 0.00 173.24 176.75 1h29 n LEU 93 N 1.25 0.74 -4.88 3.45 4.77 -1.26 -4.56 117.00 116.51 1h29 n LEU 93 Ca -0.02 -0.16 -0.29 0.00 -0.03 0.00 0.00 56.01 55.51 1h29 n LEU 93 Cb 0.48 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1h29 n LEU 93 CO 0.48 0.13 0.53 -0.54 -1.33 0.00 0.00 177.39 176.66 1h29 s LYS 94 N -2.31 3.67 -0.47 3.23 1.02 -1.26 -5.01 119.74 118.61 1h29 s LYS 94 Ca 0.33 0.47 -0.25 0.00 0.02 0.00 0.00 55.97 56.54 1h29 s LYS 94 Cb 0.20 -2.29 0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1h29 s LYS 94 CO 0.44 -0.24 0.89 0.12 -0.92 0.00 0.00 175.35 175.64 1h29 s PHE 95 N -2.71 2.93 -1.89 3.18 5.36 -1.26 -4.28 117.98 119.30 1h29 s PHE 95 Ca 0.51 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 1h29 s PHE 95 Cb -0.10 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.68 1h29 s PHE 95 CO 0.41 -1.10 0.00 -1.33 -1.46 0.00 0.00 175.22 171.75 1h29 n MET 96 N 7.07 -1.63 -3.78 10.12 2.81 0.69 -4.94 117.12 127.46 1h29 n MET 96 Ca 0.05 1.07 -0.10 0.00 -1.81 0.00 0.00 57.70 56.91 1h29 n MET 96 Cb 0.48 -5.67 -0.05 0.00 -0.71 0.00 0.00 33.22 27.28 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 -4.73 1.24 -0.08 0.03 1.70 -1.26 -4.95 118.95 110.91 1h29 s ARG 97 Ca 0.00 -0.92 0.16 0.00 -0.47 0.00 0.00 55.73 54.50 1h29 s ARG 97 Cb 0.00 0.47 -0.24 0.00 -0.57 0.00 0.00 34.95 34.60 1h29 s ARG 97 CO 0.00 -0.50 0.25 1.28 -1.08 0.00 0.00 175.30 175.26 1h29 n LEU 98 N -0.27 0.00 -4.10 -1.89 4.77 -1.26 -4.59 117.00 109.66 1h29 n LEU 98 Ca -0.11 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.80 1h29 n LEU 98 Cb 0.63 0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.77 1h29 n LEU 98 CO 0.19 0.15 -0.35 -1.81 -1.33 0.00 0.00 177.39 174.24 1h29 s ASP 99 N -4.38 0.50 -0.68 -1.43 1.11 -1.26 -5.04 116.67 105.49 1h29 s ASP 99 Ca -0.07 -1.02 -0.17 0.00 0.18 0.00 0.00 52.55 51.46 1h29 s ASP 99 Cb 0.09 0.21 0.14 0.00 1.07 0.00 0.00 42.92 44.42 1h29 s ASP 99 CO 0.70 -0.61 0.75 -1.81 1.18 0.00 0.00 175.17 175.38 1h29 s ASP 100 N -2.94 6.37 0.10 0.27 -0.00 -1.26 -4.93 116.67 114.28 1h29 s ASP 100 Ca 0.09 -1.84 0.09 0.00 -0.00 0.00 0.00 52.55 50.89 1h29 s ASP 100 Cb 0.08 -2.28 -0.19 0.00 -0.00 0.00 0.00 42.92 40.52 1h29 s ASP 100 CO -0.08 -0.96 1.16 0.78 -0.00 0.00 0.00 175.17 176.06 1h29 h ASN 101 N 8.80 0.00 -4.63 0.27 2.35 -1.99 -3.49 115.58 116.90 1h29 h ASN 101 Ca -0.15 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 55.84 1h29 h ASN 101 Cb 1.07 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.27 1h29 h ASN 101 CO 1.02 0.95 0.74 -0.94 -1.65 0.00 0.00 177.43 177.55 1h29 s SER 102 N -6.54 -0.16 0.14 5.81 1.04 -1.26 -5.00 113.70 107.73 1h29 s SER 102 Ca 0.00 -0.04 -0.17 0.00 0.48 0.00 0.00 55.95 56.21 1h29 s SER 102 Cb 0.09 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.43 1h29 s SER 102 CO 0.81 -0.35 1.77 0.00 0.98 0.00 0.00 173.24 176.45 1h29 h ALA 103 N 2.00 0.37 -0.54 5.32 0.00 -1.93 -1.60 119.26 122.88 1h29 h ALA 103 Ca -0.16 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1h29 h ALA 103 Cb 1.19 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1h29 h ALA 103 CO 0.25 -0.25 0.06 0.00 0.00 0.00 0.00 179.25 179.31 1h29 h ALA 104 N 1.17 1.09 -0.58 0.00 0.00 -2.00 -2.18 119.26 116.76 1h29 h ALA 104 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1h29 h ALA 104 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1h29 h ALA 104 CO -0.11 0.59 0.18 1.49 0.00 0.00 0.00 179.25 181.40 1h29 h GLU 105 N 0.82 0.91 0.23 0.00 4.81 -1.91 -2.26 114.58 117.18 1h29 h GLU 105 Ca 0.17 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1h29 h GLU 105 Cb 0.41 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1h29 h GLU 105 CO 0.01 0.82 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.83 1h29 h LEU 106 N 0.82 -0.57 -1.04 1.64 3.38 -0.92 0.58 115.31 119.20 1h29 h LEU 106 Ca 0.19 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1h29 h LEU 106 Cb 0.30 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1h29 h LEU 106 CO -0.00 -0.32 0.64 0.50 0.09 0.00 0.00 178.44 179.34 1h29 h LYS 107 N -0.47 1.15 -0.42 1.13 3.64 -1.41 0.90 116.57 121.08 1h29 h LYS 107 Ca -0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1h29 h LYS 107 Cb 0.43 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1h29 h LYS 107 CO -0.04 0.76 0.17 1.49 -2.27 0.00 0.00 179.45 179.56 1h29 h GLU 108 N 1.19 0.63 -0.48 1.90 4.57 -1.15 0.12 114.58 121.36 1h29 h GLU 108 Ca 0.41 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1h29 h GLU 108 Cb 0.10 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1h29 h GLU 108 CO -0.15 0.58 0.23 0.82 -1.18 0.00 0.00 179.01 179.32 1h29 h ILE 109 N 0.54 1.19 0.11 2.32 2.04 0.11 -1.04 117.51 122.77 1h29 h ILE 109 Ca 0.14 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1h29 h ILE 109 Cb 0.19 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1h29 h ILE 109 CO -0.01 0.21 -0.05 1.88 0.00 0.00 0.00 178.15 180.17 1h29 h TYR 110 N 0.63 -0.13 -0.31 1.37 -1.99 -0.85 -2.17 116.97 113.53 1h29 h TYR 110 Ca 0.17 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1h29 h TYR 110 Cb 0.11 0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1h29 h TYR 110 CO -0.01 0.30 0.19 0.45 -0.00 0.00 0.00 178.16 179.09 1h29 h HIS 111 N -0.62 0.40 -0.36 4.88 3.86 -0.94 -0.05 115.15 122.33 1h29 h HIS 111 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1h29 h HIS 111 Cb 0.49 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1h29 h HIS 111 CO 0.07 0.28 0.21 0.00 0.86 0.00 0.00 177.93 179.35 1h29 h ALA 112 N 1.09 0.46 0.13 2.45 0.00 -1.26 -2.83 119.26 119.29 1h29 h ALA 112 Ca 0.11 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 1h29 h ALA 112 Cb -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1h29 h ALA 112 CO -0.02 -0.04 -1.57 -0.91 0.00 0.00 0.00 179.25 176.71 1h29 h ASN 113 N 0.46 0.43 0.38 0.00 2.35 -1.19 -1.06 115.58 116.95 1h29 h ASN 113 Ca 0.13 -0.88 -0.02 0.00 -0.55 0.00 0.00 56.30 54.98 1h29 h ASN 113 Cb 0.02 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1h29 h ASN 113 CO -0.02 1.69 -0.18 0.00 -1.65 0.00 0.00 177.43 177.27 1h29 h ILE 115 N -0.60 1.28 -0.58 0.00 2.04 -1.63 -2.88 117.51 115.15 1h29 h ILE 115 Ca -0.05 -1.23 0.06 0.00 1.00 0.00 0.00 64.86 64.64 1h29 h ILE 115 Cb 0.44 1.35 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 1h29 h ILE 115 CO 0.08 0.40 -0.54 1.23 0.00 0.00 0.00 178.15 179.32 1h29 h GLY 116 N 0.49 -1.02 0.36 5.37 0.00 -1.25 0.89 103.07 107.92 1h29 h GLY 116 Ca 0.08 0.76 0.06 0.00 0.00 0.00 0.00 47.33 48.23 1h29 h GLY 116 CO 0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 176.54 176.39 1h29 h HIS 118 N -0.03 1.07 -0.05 0.00 -0.00 -1.01 -1.15 115.15 113.98 1h29 h HIS 118 Ca 0.15 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 1h29 h HIS 118 Cb 0.25 -0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1h29 h HIS 118 CO -0.30 0.64 0.00 1.15 -0.00 0.00 0.00 177.93 179.43 1h29 h THR 119 N 1.13 1.23 -0.56 2.45 2.02 0.15 -2.12 112.91 117.21 1h29 h THR 119 Ca 0.33 -0.70 0.06 0.00 0.77 0.00 0.00 66.41 66.87 1h29 h THR 119 Cb -0.05 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 1h29 h THR 119 CO -0.09 0.19 0.27 0.44 0.37 0.00 0.00 175.52 176.71 1h29 h ASP 120 N -0.19 0.37 -0.65 4.18 3.45 -0.38 -1.35 116.42 121.85 1h29 h ASP 120 Ca 0.01 0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.45 1h29 h ASP 120 Cb 0.30 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 1h29 h ASP 120 CO 0.00 0.25 0.16 -0.07 -1.57 0.00 0.00 179.24 178.01 1h29 h LEU 121 N 0.52 1.01 -1.43 1.55 3.38 -1.18 -1.28 115.31 117.88 1h29 h LEU 121 Ca 0.26 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1h29 h LEU 121 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1h29 h LEU 121 CO -0.19 0.97 0.05 0.00 0.09 0.00 0.00 178.44 179.35 1h29 h ALA 122 N 1.15 1.54 0.00 1.53 0.00 -0.91 -1.25 119.26 121.32 1h29 h ALA 122 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h29 h ALA 122 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1h29 h ALA 122 CO 0.00 0.34 -0.04 0.87 0.00 0.00 0.00 179.25 180.42 1h29 h LYS 123 N 0.42 0.00 -0.59 0.00 1.57 -0.10 -2.74 116.57 115.12 1h29 h LYS 123 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1h29 h LYS 123 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1h29 h LYS 123 CO 0.00 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 1h29 n ALA 124 N -2.17 2.98 -3.83 3.86 0.00 -0.95 -4.97 120.51 115.43 1h29 n ALA 124 Ca -0.02 -1.62 -0.28 0.00 0.00 0.00 0.00 53.44 51.52 1h29 n ALA 124 Cb 0.18 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.73 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 0.93 -0.45 3.60 0.00 0.00 -1.04 -5.03 105.19 103.20 1h29 n GLY 125 Ca 0.24 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 -6.44 2.20 -0.16 1.61 3.01 -0.51 -5.04 119.74 114.41 1h29 s LYS 126 Ca 0.50 -1.06 -0.37 0.00 -1.01 0.00 0.00 55.97 54.03 1h29 s LYS 126 Cb -0.25 -2.31 -0.14 0.00 -1.01 0.00 0.00 37.83 34.12 1h29 s LYS 126 CO 0.82 0.49 1.78 1.17 0.51 0.00 0.00 175.35 180.11 1h29 n LYS 127 N 0.42 1.64 -2.26 1.68 4.81 -1.26 -4.36 118.16 118.83 1h29 n LYS 127 Ca -0.12 0.60 -0.02 0.00 -0.87 0.00 0.00 58.31 57.90 1h29 n LYS 127 Cb 0.53 -2.36 -0.01 0.00 0.02 0.00 0.00 35.03 33.22 1h29 n LYS 127 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1h29 n THR 128 N 4.68 0.00 -4.31 3.15 5.66 -1.26 -4.93 114.28 117.27 1h29 n THR 128 Ca 0.24 -0.27 -0.29 0.00 -3.05 0.00 0.00 64.05 60.68 1h29 n THR 128 Cb 0.21 0.12 -0.03 0.00 -1.55 0.00 0.00 70.33 69.08 1h29 n THR 128 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1h29 n GLY 129 N 0.80 3.16 3.63 1.09 0.00 -1.26 -5.09 105.19 107.52 1h29 n GLY 129 Ca 0.00 -2.33 -0.44 0.00 0.00 0.00 0.00 46.02 43.25 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 -1.51 1.65 -3.21 1.61 -0.02 -1.26 -4.88 135.00 127.38 1h29 n PRO 130 Ca -0.11 0.58 -0.26 0.00 -2.02 0.00 0.00 63.50 61.68 1h29 n PRO 130 Cb 0.62 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.70 3.55 0.00 -0.52 -1.52 -1.26 -4.82 119.66 113.38 1h29 s GLN 131 Ca 0.58 -0.11 0.00 0.00 -1.95 0.00 0.00 55.36 53.88 1h29 s GLN 131 Cb -0.64 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.55 1h29 s GLN 131 CO 0.61 0.10 0.00 -3.47 -0.25 0.00 0.00 175.29 172.27 1h29 n ASP 132 N -1.59 0.00 -1.02 5.90 2.03 -1.26 -0.06 116.55 120.54 1h29 n ASP 132 Ca -0.03 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.40 1h29 n ASP 132 Cb 0.55 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.16 1h29 n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h29 n GLY 133 N 0.00 1.30 2.58 0.27 0.00 -1.26 -4.58 105.19 103.49 1h29 n GLY 133 Ca 0.00 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 1.30 4.93 -0.07 1.61 1.02 0.91 -4.81 120.64 125.52 1h29 n GLU 134 Ca 0.17 -4.01 -0.07 0.00 -0.02 0.00 0.00 57.16 53.24 1h29 n GLU 134 Cb 0.57 -2.57 -0.01 0.00 -0.02 0.00 0.00 31.44 29.41 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 0.02 0.00 0.00 0.00 2.43 -1.88 -0.10 114.38 114.85 1h29 h ARG 136 Ca 0.14 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 1h29 h ARG 136 Cb 0.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1h29 h ARG 136 CO -0.28 0.00 -0.60 0.77 -1.51 0.00 0.00 179.97 178.35 1h29 h SER 137 N 0.00 0.00 0.00 -3.80 0.02 -1.75 -2.95 113.55 105.07 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 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1h29 h SER 137 CO 0.00 0.60 -0.76 0.00 -1.14 0.00 0.00 176.83 175.53 1h29 n HIS 139 N -4.55 3.57 -3.64 0.00 8.25 -0.08 -3.90 115.22 114.86 1h29 n HIS 139 Ca -0.16 -2.39 -0.40 0.00 -0.26 0.00 0.00 57.72 54.52 1h29 n HIS 139 Cb 0.41 -2.49 -0.11 0.00 1.12 0.00 0.00 29.99 28.93 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 4.67 5.58 0.19 0.41 3.84 -1.11 -4.37 114.94 124.14 1h29 s ASN 140 Ca 0.57 -1.34 0.19 0.00 0.21 0.00 0.00 52.86 52.48 1h29 s ASN 140 Cb 0.06 -1.96 0.85 0.00 -0.55 0.00 0.00 41.25 39.65 1h29 s ASN 140 CO 0.06 -0.46 1.58 -0.81 -2.79 0.00 0.00 177.10 174.68 1h29 n PRO 141 N 4.90 0.12 -3.18 0.43 -0.04 -1.26 -3.90 135.00 132.07 1h29 n PRO 141 Ca -0.11 0.44 -0.20 0.00 -0.04 0.00 0.00 63.50 63.59 1h29 n PRO 141 Cb 0.44 -1.78 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 1h29 n PRO 141 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1h29 n LYS 142 N -2.02 1.10 -1.88 0.54 4.81 -1.26 -5.10 118.16 114.34 1h29 n LYS 142 Ca 0.02 -3.47 -0.41 0.00 -0.87 0.00 0.00 58.31 53.57 1h29 n LYS 142 Cb 0.16 -1.64 -0.01 0.00 0.02 0.00 0.00 35.03 33.55 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 -2.22 4.18 -0.79 1.64 0.04 -1.25 -4.93 135.00 131.67 1h29 s PRO 143 Ca 0.39 2.47 -0.11 0.00 0.04 0.00 0.00 61.00 63.79 1h29 s PRO 143 Cb 0.30 -3.03 0.21 0.00 0.04 0.00 0.00 34.50 32.02 1h29 s PRO 143 CO -0.09 -0.50 0.70 -1.54 0.04 0.00 0.00 177.00 175.62 1h29 s SER 144 N 0.13 6.43 0.00 6.66 1.04 -1.26 -4.52 113.70 122.18 1h29 s SER 144 Ca 0.57 -2.76 0.00 0.00 0.48 0.00 0.00 55.95 54.24 1h29 s SER 144 Cb -0.45 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1h29 s SER 144 CO 0.52 -0.52 0.00 0.00 0.98 0.00 0.00 173.24 174.23 1h29 n ALA 145 N 3.82 0.00 -2.19 5.32 0.00 -1.26 -3.91 120.51 122.29 1h29 n ALA 145 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.37 1h29 n ALA 145 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.91 1h29 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h29 s ALA 146 N 0.00 4.10 -0.21 0.00 0.00 -0.98 -4.85 121.76 119.83 1h29 s ALA 146 Ca 0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.43 1h29 s ALA 146 Cb 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1h29 s ALA 146 CO 0.00 -0.37 0.36 0.45 0.00 0.00 0.00 175.76 176.19 1h29 s SER 147 N -4.30 6.39 0.00 0.00 0.15 -1.26 0.11 113.70 114.79 1h29 s SER 147 Ca 0.52 0.45 0.20 0.00 0.70 0.00 0.00 55.95 57.82 1h29 s SER 147 Cb -0.10 -2.21 0.13 0.00 -1.71 0.00 0.00 66.02 62.13 1h29 s SER 147 CO 0.35 -0.05 1.12 -1.54 1.20 0.00 0.00 173.24 174.32 1h29 n SER 148 N 4.40 2.56 -4.51 5.45 3.41 0.30 -4.78 113.62 120.45 1h29 n SER 148 Ca -0.10 -1.78 -0.53 0.00 -0.26 0.00 0.00 58.87 56.21 1h29 n SER 148 Cb 0.51 0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.94 0.63 -4.18 7.33 -0.00 -1.20 -4.42 117.44 116.54 1h29 n TRP 149 Ca 0.11 0.89 -0.16 0.00 -0.00 0.00 0.00 57.50 58.34 1h29 n TRP 149 Cb 0.49 -2.13 -0.14 0.00 -0.00 0.00 0.00 31.31 29.53 1h29 n TRP 149 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1h29 s LYS 150 N -0.34 0.49 0.68 5.87 2.20 0.67 -5.02 119.74 124.29 1h29 s LYS 150 Ca 0.78 -0.28 -0.16 0.00 -0.36 0.00 0.00 55.97 55.95 1h29 s LYS 150 Cb -1.04 -0.45 0.01 0.00 -1.51 0.00 0.00 37.83 34.84 1h29 s LYS 150 CO 0.55 0.12 1.20 -1.83 -0.36 0.00 0.00 175.35 175.02 1h29 s GLU 151 N -0.32 2.50 0.07 4.03 4.04 -1.26 -4.49 118.70 123.27 1h29 s GLU 151 Ca 0.01 1.74 0.06 0.00 0.04 0.00 0.00 54.97 56.82 1h29 s GLU 151 Cb -0.03 -1.88 -0.03 0.00 0.02 0.00 0.00 34.13 32.21 1h29 s GLU 151 CO -0.00 -1.55 -0.17 -1.50 -1.84 0.00 0.00 175.26 170.20 1h29 s ILE 152 N -1.89 1.37 0.14 1.83 2.07 -1.26 -4.99 121.20 118.46 1h29 s ILE 152 Ca 0.75 -1.28 -0.18 0.00 -1.41 0.00 0.00 60.65 58.52 1h29 s ILE 152 Cb -0.29 -1.25 0.04 0.00 0.13 0.00 0.00 42.46 41.09 1h29 s ILE 152 CO 0.41 -0.06 0.46 -0.83 -1.91 0.00 0.00 174.94 173.01 1h29 s GLY 153 N -1.56 -0.32 -0.05 1.50 0.00 -1.26 -5.13 107.32 100.50 1h29 s GLY 153 Ca 0.03 0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.50 1h29 s GLY 153 CO 0.03 -0.20 0.94 -1.36 0.00 0.00 0.00 173.10 172.51 1h29 s PHE 154 N -3.80 3.59 0.81 1.90 0.40 -1.26 -5.00 117.98 114.61 1h29 s PHE 154 Ca 0.04 1.58 -0.12 0.00 -0.60 0.00 0.00 56.93 57.83 1h29 s PHE 154 Cb 0.01 -3.09 0.08 0.00 0.51 0.00 0.00 43.02 40.52 1h29 s PHE 154 CO -0.11 -0.08 1.14 0.34 0.70 0.00 0.00 175.22 177.21 1h29 s ASP 155 N 1.02 4.49 0.23 1.36 3.68 -1.26 -4.84 116.67 121.35 1h29 s ASP 155 Ca 0.48 1.00 -0.14 0.00 2.13 0.00 0.00 52.55 56.03 1h29 s ASP 155 Cb -0.19 -1.63 0.28 0.00 -1.45 0.00 0.00 42.92 39.93 1h29 s ASP 155 CO 0.23 -1.94 1.59 0.50 0.13 0.00 0.00 175.17 175.68 1h29 h LYS 156 N -1.07 -0.03 0.36 4.34 3.64 -1.85 -1.14 116.57 120.81 1h29 h LYS 156 Ca -0.47 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1h29 h LYS 156 Cb 1.30 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1h29 h LYS 156 CO 0.63 -0.02 -0.17 1.03 -2.27 0.00 0.00 179.45 178.65 1h29 h SER 157 N -0.03 -0.40 -0.98 4.20 0.87 -1.88 -2.62 113.55 112.70 1h29 h SER 157 Ca 0.35 -0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1h29 h SER 157 Cb 0.57 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.59 1h29 h SER 157 CO -0.80 -0.14 0.65 0.25 -0.53 0.00 0.00 176.83 176.26 1h29 h LEU 158 N -0.67 1.10 -0.56 2.23 6.46 -1.87 0.12 115.31 122.11 1h29 h LEU 158 Ca -0.05 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1h29 h LEU 158 Cb 0.48 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 1h29 h LEU 158 CO 0.08 0.78 0.32 -0.74 -0.62 0.00 0.00 178.44 178.26 1h29 h HIS 159 N 1.29 0.60 -0.27 1.25 2.76 -1.20 -2.65 115.15 116.94 1h29 h HIS 159 Ca 0.37 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.42 1h29 h HIS 159 Cb -0.08 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 1h29 h HIS 159 CO -0.00 0.33 -0.41 -0.92 -1.30 0.00 0.00 177.93 175.63 1h29 h TYR 160 N 0.64 0.78 -0.88 5.26 -0.00 -0.87 -0.33 116.97 121.57 1h29 h TYR 160 Ca 0.23 -0.23 0.08 0.00 -0.00 0.00 0.00 58.73 58.81 1h29 h TYR 160 Cb 0.06 -0.17 -0.07 0.00 -0.00 0.00 0.00 36.73 36.56 1h29 h TYR 160 CO -0.07 0.96 0.53 0.00 -0.00 0.00 0.00 178.16 179.58 1h29 h ARG 161 N 0.54 0.89 0.10 1.82 3.08 -0.88 0.20 114.38 120.13 1h29 h ARG 161 Ca 0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1h29 h ARG 161 Cb 0.94 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1h29 h ARG 161 CO 0.09 0.59 -0.05 0.45 -1.07 0.00 0.00 179.97 179.98 1h29 h HIS 162 N 0.92 -0.13 -1.00 3.04 3.86 -1.09 -2.67 115.15 118.08 1h29 h HIS 162 Ca 0.41 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.69 1h29 h HIS 162 Cb 0.30 0.04 -0.07 0.00 1.06 0.00 0.00 27.41 28.74 1h29 h HIS 162 CO -0.04 0.17 0.65 0.28 0.86 0.00 0.00 177.93 179.85 1h29 h VAL 163 N -0.43 1.07 -0.00 2.45 2.07 -0.65 -2.37 116.25 118.39 1h29 h VAL 163 Ca -0.01 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1h29 h VAL 163 Cb 0.35 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1h29 h VAL 163 CO 0.02 0.21 -0.15 0.00 0.02 0.00 0.00 177.57 177.68 1h29 n ALA 164 N -2.36 2.79 -2.30 1.67 0.00 0.68 -4.86 120.51 116.13 1h29 n ALA 164 Ca 0.16 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1h29 n ALA 164 Cb 0.20 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.66 6.87 0.21 0.00 0.15 -0.89 -4.88 113.70 112.49 1h29 s SER 165 Ca 0.23 1.88 0.21 0.00 0.70 0.00 0.00 55.95 58.97 1h29 s SER 165 Cb 0.19 -2.54 0.90 0.00 -1.71 0.00 0.00 66.02 62.86 1h29 s SER 165 CO 0.52 -0.79 1.63 0.29 1.20 0.00 0.00 173.24 176.09 1h29 n LYS 166 N 6.58 0.15 0.00 5.44 5.02 -1.26 -1.92 118.16 132.16 1h29 n LYS 166 Ca 0.15 0.41 0.14 0.00 -2.02 0.00 0.00 58.31 56.99 1h29 n LYS 166 Cb 0.44 -1.80 0.65 0.00 -0.02 0.00 0.00 35.03 34.31 1h29 n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h29 n ALA 167 N -1.71 2.63 -3.71 7.82 0.00 -1.26 -4.42 120.51 119.86 1h29 n ALA 167 Ca 0.02 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 1h29 n ALA 167 Cb 0.19 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.13 1h29 n ALA 167 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1h29 s ILE 168 N -2.63 3.63 0.31 0.00 1.01 -0.81 -5.03 121.20 117.68 1h29 s ILE 168 Ca 0.25 -2.36 -0.26 0.00 0.00 0.00 0.00 60.65 58.28 1h29 s ILE 168 Cb 0.20 -3.42 -0.10 0.00 0.01 0.00 0.00 42.46 39.15 1h29 s ILE 168 CO 0.49 -0.78 0.94 -0.54 0.00 0.00 0.00 174.94 175.05 1h29 s LYS 169 N 0.71 4.60 0.29 2.79 3.01 -1.26 -4.83 119.74 125.05 1h29 s LYS 169 Ca 0.11 1.33 -0.25 0.00 -1.01 0.00 0.00 55.97 56.15 1h29 s LYS 169 Cb -0.22 -2.85 -0.16 0.00 -1.01 0.00 0.00 37.83 33.59 1h29 s LYS 169 CO -0.04 0.31 0.38 -2.30 0.51 0.00 0.00 175.35 174.21 1h29 n PRO 170 N 0.66 0.09 -3.81 -1.68 -0.01 -1.26 -4.78 135.00 124.20 1h29 n PRO 170 Ca 0.01 0.03 -0.14 0.00 -0.01 0.00 0.00 63.50 63.39 1h29 n PRO 170 Cb 0.50 -1.06 -0.16 0.00 -0.01 0.00 0.00 33.50 32.77 1h29 n PRO 170 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1h29 s VAL 171 N -1.28 -0.02 -1.08 -1.45 0.11 -1.10 -4.90 120.40 110.67 1h29 s VAL 171 Ca 0.62 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.82 1h29 s VAL 171 Cb -0.79 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1h29 s VAL 171 CO 0.59 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 173.04 1h29 n GLY 172 N 3.90 0.58 3.64 6.54 0.00 -1.26 -4.53 105.19 114.05 1h29 n GLY 172 Ca -0.24 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.69 -0.08 0.25 1.61 3.68 -1.26 -5.02 116.67 113.16 1h29 s ASP 173 Ca 0.00 0.12 -0.03 0.00 2.13 0.00 0.00 52.55 54.77 1h29 s ASP 173 Cb 0.00 0.11 0.43 0.00 -1.45 0.00 0.00 42.92 42.01 1h29 s ASP 173 CO 0.00 -0.06 1.81 1.55 0.13 0.00 0.00 175.17 178.60 1h29 h PRO 174 N 2.56 0.77 0.00 4.34 0.13 -1.97 -3.40 132.00 134.43 1h29 h PRO 174 Ca -0.16 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.73 1h29 h PRO 174 Cb 1.19 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 1h29 h PRO 174 CO 0.21 0.51 -1.51 0.94 -0.23 0.00 0.00 178.00 177.91 1h29 n GLN 175 N -4.74 0.43 -2.20 0.86 7.27 -1.26 -4.82 117.38 112.91 1h29 n GLN 175 Ca 0.15 0.18 -0.42 0.00 0.07 0.00 0.00 57.00 56.98 1h29 n GLN 175 Cb 0.30 -1.23 -0.03 0.00 2.41 0.00 0.00 30.24 31.69 1h29 n GLN 175 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h29 s LYS 176 N -2.53 4.35 -0.16 3.69 1.02 -1.26 -4.58 119.74 120.27 1h29 s LYS 176 Ca -0.26 2.05 0.16 0.00 0.02 0.00 0.00 55.97 57.94 1h29 s LYS 176 Cb 0.07 -3.23 0.58 0.00 -0.52 0.00 0.00 37.83 34.73 1h29 s LYS 176 CO 0.35 -0.36 1.49 0.27 -0.92 0.00 0.00 175.35 176.18 1h29 n ASN 177 N 3.43 4.21 -0.03 2.83 0.23 -1.26 -2.72 115.26 121.95 1h29 n ASN 177 Ca 0.09 -2.80 0.00 0.00 -0.53 0.00 0.00 54.58 51.35 1h29 n ASN 177 Cb 0.43 -0.53 0.31 0.00 -2.08 0.00 0.00 39.78 37.90 1h29 n ASN 177 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1h29 n GLY 179 N -1.01 -1.13 0.27 0.00 0.00 -1.26 -0.72 105.19 101.34 1h29 n GLY 179 Ca 0.02 0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.26 1h29 n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h29 h ALA 180 N 2.28 1.05 0.00 4.61 0.00 -1.75 -3.38 119.26 122.07 1h29 h ALA 180 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1h29 h ALA 180 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1h29 h ALA 180 CO 0.00 0.08 -0.58 0.00 0.00 0.00 0.00 179.25 178.75 1h29 s HIS 182 N -1.52 3.19 0.23 0.00 3.76 0.11 -5.10 115.29 115.94 1h29 s HIS 182 Ca 0.00 0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 55.00 1h29 s HIS 182 Cb 0.00 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.91 1h29 s HIS 182 CO 0.00 0.49 0.40 -3.38 -0.85 0.00 0.00 174.74 171.40 1h29 s HIS 183 N -0.98 0.49 -0.00 1.40 -3.43 -1.26 -4.37 115.29 107.14 1h29 s HIS 183 Ca 0.16 -0.83 -0.02 0.00 -0.80 0.00 0.00 55.06 53.57 1h29 s HIS 183 Cb -0.11 0.03 -0.00 0.00 -1.43 0.00 0.00 32.58 31.07 1h29 s HIS 183 CO 0.06 -0.90 0.04 0.54 -2.00 0.00 0.00 174.74 172.48 1h29 s VAL 184 N -4.03 0.05 0.01 -5.38 0.11 0.26 -4.77 120.40 106.64 1h29 s VAL 184 Ca 0.24 -0.41 -0.30 0.00 -2.93 0.00 0.00 61.98 58.58 1h29 s VAL 184 Cb 0.01 -0.20 -0.06 0.00 -1.53 0.00 0.00 36.38 34.59 1h29 s VAL 184 CO 0.08 -0.22 1.54 -0.47 -3.33 0.00 0.00 175.10 172.70 1h29 s TYR 185 N -0.69 2.51 -0.30 1.54 5.04 -1.26 -0.59 117.35 123.60 1h29 s TYR 185 Ca -0.08 0.51 -0.25 0.00 -2.44 0.00 0.00 57.07 54.82 1h29 s TYR 185 Cb -0.05 -3.82 0.01 0.00 0.35 0.00 0.00 41.96 38.45 1h29 s TYR 185 CO -0.00 -3.22 0.88 0.34 -1.34 0.00 0.00 175.55 172.21 1h29 s ASP 186 N 2.38 6.76 0.22 4.32 2.15 0.05 -4.91 116.67 127.65 1h29 s ASP 186 Ca 0.69 0.81 -0.18 0.00 0.43 0.00 0.00 52.55 54.30 1h29 s ASP 186 Cb -0.34 -2.45 0.22 0.00 -0.30 0.00 0.00 42.92 40.04 1h29 s ASP 186 CO 0.29 -0.69 1.56 -0.33 -0.17 0.00 0.00 175.17 175.83 1h29 h GLU 187 N 8.07 -0.04 0.01 4.34 4.39 -1.94 -1.72 114.58 127.68 1h29 h GLU 187 Ca -0.23 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.26 1h29 h GLU 187 Cb 1.08 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1h29 h GLU 187 CO 0.93 -0.03 -0.92 0.00 -1.16 0.00 0.00 179.01 177.84 1h29 h ALA 188 N 1.31 0.44 -0.36 3.43 0.00 -1.94 -3.09 119.26 119.04 1h29 h ALA 188 Ca 0.32 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1h29 h ALA 188 Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1h29 h ALA 188 CO -0.91 0.87 -0.28 0.77 0.00 0.00 0.00 179.25 179.70 1h29 h SER 189 N 0.16 0.78 -1.52 0.00 0.02 -1.96 -3.47 113.55 107.56 1h29 h SER 189 Ca -0.06 -0.30 -0.34 0.00 -0.84 0.00 0.00 61.79 60.25 1h29 h SER 189 Cb 1.55 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 63.80 1h29 h SER 189 CO 0.15 1.01 -0.36 0.29 -1.14 0.00 0.00 176.83 176.78 1h29 n LYS 190 N -4.09 -1.24 -4.19 3.45 5.02 -0.65 -5.03 118.16 111.43 1h29 n LYS 190 Ca -0.01 0.96 -0.11 0.00 -2.02 0.00 0.00 58.31 57.13 1h29 n LYS 190 Cb 0.46 -5.26 -0.10 0.00 -0.02 0.00 0.00 35.03 30.11 1h29 n LYS 190 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1h29 s LYS 191 N -4.06 0.98 0.38 1.97 -0.14 -1.17 -5.02 119.74 112.67 1h29 s LYS 191 Ca 0.00 -1.46 -0.27 0.00 -1.36 0.00 0.00 55.97 52.89 1h29 s LYS 191 Cb 0.00 -0.05 -0.09 0.00 -1.68 0.00 0.00 37.83 36.01 1h29 s LYS 191 CO 0.00 -0.16 1.25 -0.51 -0.76 0.00 0.00 175.35 175.17 1h29 s LEU 192 N -3.10 4.28 0.04 3.17 1.43 -1.26 -0.77 118.68 122.47 1h29 s LEU 192 Ca 0.21 2.55 -0.01 0.00 -1.03 0.00 0.00 54.13 55.85 1h29 s LEU 192 Cb 0.07 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1h29 s LEU 192 CO 0.01 -0.68 -0.01 0.68 0.23 0.00 0.00 176.35 176.57 1h29 s VAL 193 N -1.27 0.18 -0.36 -1.59 -7.23 0.24 -4.83 120.40 105.55 1h29 s VAL 193 Ca 0.54 -1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 58.97 1h29 s VAL 193 Cb -0.36 -1.07 -0.01 0.00 0.56 0.00 0.00 36.38 35.50 1h29 s VAL 193 CO 0.46 -0.80 1.70 0.86 -0.31 0.00 0.00 175.10 177.01 1h29 s TRP 194 N -3.04 1.95 -0.67 2.82 -0.00 -1.26 -0.58 118.94 118.16 1h29 s TRP 194 Ca -0.01 0.63 -0.23 0.00 -0.00 0.00 0.00 56.10 56.49 1h29 s TRP 194 Cb 0.02 -4.18 0.06 0.00 -0.00 0.00 0.00 33.47 29.37 1h29 s TRP 194 CO -0.07 -2.70 1.02 0.20 -0.00 0.00 0.00 176.95 175.40 1h29 s GLY 195 N 5.58 1.29 0.14 5.86 0.00 -1.26 -4.92 107.32 114.02 1h29 s GLY 195 Ca 0.75 -1.77 -0.34 0.00 0.00 0.00 0.00 44.72 43.35 1h29 s GLY 195 CO 0.33 2.16 1.54 1.17 0.00 0.00 0.00 173.10 178.30 1h29 n LYS 196 N 7.98 1.96 -1.27 2.90 4.81 -1.26 -1.13 118.16 132.16 1h29 n LYS 196 Ca -0.03 0.71 -0.09 0.00 -0.87 0.00 0.00 58.31 58.03 1h29 n LYS 196 Cb 0.46 -2.45 -0.04 0.00 0.02 0.00 0.00 35.03 33.02 1h29 n LYS 196 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1h29 n ASN 197 N 3.29 -5.10 -0.34 3.14 4.13 -1.26 -4.85 115.26 114.27 1h29 n ASN 197 Ca 0.17 0.23 0.06 0.00 1.68 0.00 0.00 54.58 56.73 1h29 n ASN 197 Cb 0.27 -3.41 0.14 0.00 -1.54 0.00 0.00 39.78 35.24 1h29 n ASN 197 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1h29 n LYS 198 N -1.41 2.35 -1.98 3.52 5.02 -0.28 -4.93 118.16 120.45 1h29 n LYS 198 Ca -0.09 -2.29 -0.38 0.00 -2.02 0.00 0.00 58.31 53.53 1h29 n LYS 198 Cb 0.47 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 34.07 1h29 n LYS 198 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1h29 s GLU 199 N -2.10 3.57 0.21 1.97 8.01 -1.26 -4.95 118.70 124.15 1h29 s GLU 199 Ca 0.25 2.11 -0.16 0.00 0.01 0.00 0.00 54.97 57.18 1h29 s GLU 199 Cb 0.20 -2.46 0.02 0.00 -4.31 0.00 0.00 34.13 27.57 1h29 s GLU 199 CO 0.06 -0.80 0.49 0.34 0.01 0.00 0.00 175.26 175.35 1h29 s ASP 200 N -0.96 -0.18 0.44 -0.19 -1.08 -1.26 -4.93 116.67 108.51 1h29 s ASP 200 Ca 0.65 -0.64 -0.25 0.00 -0.52 0.00 0.00 52.55 51.79 1h29 s ASP 200 Cb -0.37 0.57 -0.09 0.00 -1.46 0.00 0.00 42.92 41.57 1h29 s ASP 200 CO 0.45 -1.07 1.19 -0.24 0.52 0.00 0.00 175.17 176.03 1h29 n SER 201 N -0.34 2.13 -0.12 -0.34 2.88 -1.26 -4.85 113.62 111.71 1h29 n SER 201 Ca -0.08 1.06 0.16 0.00 -1.33 0.00 0.00 58.87 58.69 1h29 n SER 201 Cb 0.62 -1.46 0.55 0.00 -0.75 0.00 0.00 64.21 63.17 1h29 n SER 201 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h29 n ARG 203 N -4.45 0.09 0.05 0.00 1.74 -1.26 -0.57 116.66 112.26 1h29 n ARG 203 Ca 0.13 0.50 -0.06 0.00 -0.77 0.00 0.00 57.85 57.65 1h29 n ARG 203 Cb 0.54 -1.74 0.12 0.00 -1.02 0.00 0.00 32.46 30.35 1h29 n ARG 203 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h29 h ALA 204 N 2.13 0.85 0.00 7.54 0.00 -1.03 -3.39 119.26 125.36 1h29 h ALA 204 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1h29 h ALA 204 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1h29 h ALA 204 CO 0.00 0.68 -0.93 0.00 0.00 0.00 0.00 179.25 179.01 1h29 s HIS 206 N -1.93 3.23 0.00 0.00 3.76 0.26 -4.98 115.29 115.63 1h29 s HIS 206 Ca 0.00 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 1h29 s HIS 206 Cb 0.00 -2.48 0.00 0.00 1.11 0.00 0.00 32.58 31.21 1h29 s HIS 206 CO 0.00 -0.38 0.00 0.41 -0.85 0.00 0.00 174.74 173.92 1h29 n GLY 207 N 5.10 5.30 0.36 -2.22 0.00 -1.26 -4.00 105.19 108.47 1h29 n GLY 207 Ca -0.13 -2.00 0.03 0.00 0.00 0.00 0.00 46.02 43.92 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 0.95 -5.48 1.61 4.81 -1.96 -0.57 114.58 113.93 1h29 h GLU 208 Ca 0.00 -0.06 -0.48 0.00 -0.13 0.00 0.00 59.36 58.70 1h29 h GLU 208 Cb 0.00 -0.21 -0.14 0.00 0.63 0.00 0.00 28.75 29.03 1h29 h GLU 208 CO 0.00 0.63 -0.68 0.15 -0.73 0.00 0.00 179.01 178.37 1h29 s LYS 209 N -5.84 1.49 -0.07 1.92 1.02 -1.26 -4.77 119.74 112.22 1h29 s LYS 209 Ca -0.11 -1.74 -0.29 0.00 0.02 0.00 0.00 55.97 53.85 1h29 s LYS 209 Cb 0.19 -1.10 -0.06 0.00 -0.52 0.00 0.00 37.83 36.34 1h29 s LYS 209 CO 0.79 0.05 1.79 -1.25 -0.92 0.00 0.00 175.35 175.82 1h29 s PRO 210 N -3.72 4.00 -0.20 -1.68 0.04 -1.26 -4.14 135.00 128.04 1h29 s PRO 210 Ca 0.28 2.20 -0.06 0.00 0.04 0.00 0.00 61.00 63.46 1h29 s PRO 210 Cb 0.03 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 1h29 s PRO 210 CO 0.11 -1.08 0.04 0.08 0.04 0.00 0.00 177.00 176.18 1h29 s VAL 211 N 4.79 4.38 0.00 -0.36 1.01 -0.73 -4.95 120.40 124.54 1h29 s VAL 211 Ca 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1h29 s VAL 211 Cb -0.34 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1h29 s VAL 211 CO 0.34 0.43 0.00 0.47 0.00 0.00 0.00 175.10 176.33 1h29 n ASP 212 N 4.02 0.00 -0.32 3.32 8.00 -1.26 -0.59 116.55 129.72 1h29 n ASP 212 Ca -0.17 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.41 1h29 n ASP 212 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 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 5.45 1.71 -2.39 -1.24 5.02 -1.26 -4.85 118.16 120.60 1h29 n LYS 213 Ca 0.00 -0.70 -0.42 0.00 -2.02 0.00 0.00 58.31 55.17 1h29 n LYS 213 Cb 0.00 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1h29 n LYS 213 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1h29 s ARG 214 N -1.97 3.45 0.96 1.97 0.52 0.25 -5.02 118.95 119.11 1h29 s ARG 214 Ca 0.12 0.66 -0.11 0.00 -0.52 0.00 0.00 55.73 55.88 1h29 s ARG 214 Cb 0.13 -4.06 0.14 0.00 0.52 0.00 0.00 34.95 31.67 1h29 s ARG 214 CO 0.43 -1.74 0.92 -0.35 0.02 0.00 0.00 175.30 174.59 1h29 n PRO 215 N 8.35 -0.68 -1.09 3.54 -0.04 -1.26 -1.78 135.00 142.04 1h29 n PRO 215 Ca 0.14 -0.14 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 1h29 n PRO 215 Cb 0.49 -2.21 0.13 0.00 -0.04 0.00 0.00 33.50 31.86 1h29 n PRO 215 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h29 s ALA 216 N -2.54 1.73 0.03 0.55 0.00 -1.26 -4.45 121.76 115.82 1h29 s ALA 216 Ca 0.64 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.73 1h29 s ALA 216 Cb -0.22 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1h29 s ALA 216 CO 0.61 -2.26 1.12 1.25 0.00 0.00 0.00 175.76 176.49 1h29 h LEU 217 N -1.49 -0.39 0.00 0.00 5.85 -1.23 0.11 115.31 118.16 1h29 h LEU 217 Ca -0.46 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1h29 h LEU 217 Cb 1.26 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1h29 h LEU 217 CO 0.50 -0.11 0.00 -0.67 -0.34 0.00 0.00 178.44 177.82 1h29 n ASP 218 N -3.22 0.00 0.01 1.25 -0.08 -1.26 -0.35 116.55 112.90 1h29 n ASP 218 Ca -0.01 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.08 1h29 n ASP 218 Cb 0.09 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.46 1h29 n ASP 218 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1h29 h THR 219 N 0.00 1.28 -0.04 5.18 2.02 -1.51 -2.37 112.91 117.47 1h29 h THR 219 Ca 0.00 -2.10 -0.00 0.00 0.77 0.00 0.00 66.41 65.07 1h29 h THR 219 Cb 0.00 2.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1h29 h THR 219 CO 0.00 0.66 0.01 0.00 0.37 0.00 0.00 175.52 176.56 1h29 h ALA 220 N 0.47 0.05 0.73 6.16 0.00 -0.30 0.29 119.26 126.66 1h29 h ALA 220 Ca -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1h29 h ALA 220 Cb 1.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1h29 h ALA 220 CO 0.18 -0.36 -0.45 0.00 0.00 0.00 0.00 179.25 178.62 1h29 h ALA 221 N 0.84 -1.25 -0.62 0.00 0.00 -0.72 0.89 119.26 118.40 1h29 h ALA 221 Ca 0.01 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.84 1h29 h ALA 221 Cb 0.18 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1h29 h ALA 221 CO -0.00 -1.21 0.43 0.45 0.00 0.00 0.00 179.25 178.92 1h29 h HIS 222 N -1.11 0.22 -0.03 0.00 -0.00 -1.37 0.46 115.15 113.32 1h29 h HIS 222 Ca -0.10 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.21 1h29 h HIS 222 Cb 0.89 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 1h29 h HIS 222 CO -0.08 0.09 -0.26 1.15 -0.00 0.00 0.00 177.93 178.83 1h29 h THR 223 N 0.19 1.49 0.01 2.45 2.02 -0.60 -3.34 112.91 115.13 1h29 h THR 223 Ca 0.30 -1.80 -0.15 0.00 0.77 0.00 0.00 66.41 65.53 1h29 h THR 223 Cb 0.91 2.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.85 1h29 h THR 223 CO -0.05 0.50 -0.80 0.00 0.37 0.00 0.00 175.52 175.53 1h29 h ALA 224 N 0.34 0.16 0.59 6.16 0.00 0.29 -3.24 119.26 123.56 1h29 h ALA 224 Ca -0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 54.91 53.92 1h29 h ALA 224 Cb 0.95 0.44 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1h29 h ALA 224 CO 0.05 0.45 -0.28 0.00 0.00 0.00 0.00 179.25 179.47 1h29 h ILE 226 N -0.91 0.78 -0.12 0.00 2.04 -1.68 -1.91 117.51 115.71 1h29 h ILE 226 Ca -0.08 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1h29 h ILE 226 Cb 0.61 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1h29 h ILE 226 CO 0.13 0.02 -0.08 0.77 0.00 0.00 0.00 178.15 179.00 1h29 h SER 227 N 0.11 0.16 -0.33 1.72 4.64 -1.64 0.51 113.55 118.71 1h29 h SER 227 Ca 0.16 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 1h29 h SER 227 Cb 0.21 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1h29 h SER 227 CO -0.25 0.27 -0.41 0.00 -0.87 0.00 0.00 176.83 175.56 1h29 h HIS 229 N 0.67 0.96 -0.28 0.00 -0.00 -0.52 -0.60 115.15 115.38 1h29 h HIS 229 Ca 0.04 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.34 1h29 h HIS 229 Cb 1.01 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 1h29 h HIS 229 CO 0.07 0.56 -0.22 0.52 -0.00 0.00 0.00 177.93 178.86 1h29 h MET 230 N 1.01 0.53 -0.39 2.45 2.86 -0.84 -0.89 114.93 119.66 1h29 h MET 230 Ca 0.32 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1h29 h MET 230 Cb -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1h29 h MET 230 CO -0.11 0.71 -0.17 -0.44 1.06 0.00 0.00 176.91 177.97 1h29 h ASP 231 N 0.47 0.73 0.13 1.22 3.32 -0.23 -3.07 116.42 118.99 1h29 h ASP 231 Ca 0.07 -0.24 -0.25 0.00 0.02 0.00 0.00 57.03 56.64 1h29 h ASP 231 Cb 0.64 -0.20 0.03 0.00 0.22 0.00 0.00 39.33 40.02 1h29 h ASP 231 CO 0.05 0.90 -1.05 0.58 -1.72 0.00 0.00 179.24 177.99 1h29 h VAL 232 N 0.65 1.38 -0.66 -1.35 2.07 -0.99 -3.19 116.25 114.16 1h29 h VAL 232 Ca 0.10 -2.47 0.19 0.00 0.82 0.00 0.00 66.70 65.35 1h29 h VAL 232 Cb 0.65 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.29 1h29 h VAL 232 CO 0.05 0.73 0.47 0.00 0.02 0.00 0.00 177.57 178.84 1h29 h ALA 233 N 0.20 2.62 0.00 1.67 0.00 -1.21 0.14 119.26 122.68 1h29 h ALA 233 Ca -0.17 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1h29 h ALA 233 Cb 1.78 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1h29 h ALA 233 CO 0.20 -0.80 -0.49 0.87 0.00 0.00 0.00 179.25 179.02 1h29 h LYS 234 N 0.01 0.00 0.00 0.00 1.57 -1.52 -2.53 116.57 114.10 1h29 h LYS 234 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1h29 h LYS 234 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1h29 h LYS 234 CO -0.01 0.49 0.00 0.25 -0.57 0.00 0.00 179.45 179.62 1h29 n THR 235 N -3.83 0.27 -1.01 -0.16 -2.24 0.47 -4.92 114.28 102.86 1h29 n THR 235 Ca -0.01 -0.06 -0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1h29 n THR 235 Cb 0.53 -0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.75 -0.46 -1.88 -0.78 4.76 -0.96 -5.04 118.16 112.06 1h29 n LYS 236 Ca 0.06 0.15 -0.30 0.00 -2.87 0.00 0.00 58.31 55.35 1h29 n LYS 236 Cb 0.35 -3.51 0.21 0.00 -1.84 0.00 0.00 35.03 30.24 1h29 n LYS 236 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h29 s ALA 237 N -1.79 2.06 0.26 7.82 0.00 -1.23 -4.99 121.76 123.89 1h29 s ALA 237 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 1h29 s ALA 237 Cb 0.00 -2.75 -0.11 0.00 0.00 0.00 0.00 23.12 20.26 1h29 s ALA 237 CO 0.00 -2.64 1.52 -2.00 0.00 0.00 0.00 175.76 172.64 1h29 s GLU 238 N -5.91 4.20 0.32 0.00 2.56 -1.26 -4.67 118.70 113.94 1h29 s GLU 238 Ca 0.76 2.43 0.05 0.00 0.00 0.00 0.00 54.97 58.20 1h29 s GLU 238 Cb -0.03 -3.08 -0.03 0.00 2.00 0.00 0.00 34.13 32.99 1h29 s GLU 238 CO 0.54 -0.53 0.20 -0.08 -0.56 0.00 0.00 175.26 174.83 1h29 s THR 239 N 0.11 0.20 0.61 -1.70 -1.32 -1.26 -4.88 115.64 107.40 1h29 s THR 239 Ca 0.62 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.11 1h29 s THR 239 Cb -0.45 -2.47 0.07 0.00 -1.51 0.00 0.00 72.50 68.14 1h29 s THR 239 CO 0.44 0.00 0.85 -0.83 -2.21 0.00 0.00 174.62 172.87 1h29 s GLY 240 N -3.40 1.80 0.66 6.08 0.00 -1.26 -5.09 107.32 106.11 1h29 s GLY 240 Ca 0.36 -1.53 -0.15 0.00 0.00 0.00 0.00 44.72 43.40 1h29 s GLY 240 CO 0.21 -1.13 1.10 -4.14 0.00 0.00 0.00 173.10 169.14 1h29 s PRO 241 N -4.89 2.84 0.00 2.90 0.02 -1.26 -4.86 135.00 129.75 1h29 s PRO 241 Ca 0.61 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1h29 s PRO 241 Cb -0.08 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1h29 s PRO 241 CO 0.41 -1.21 0.00 0.28 -0.33 0.00 0.00 177.00 176.14 1h29 n VAL 242 N -2.45 0.00 -2.16 3.83 0.31 -1.26 -4.78 118.33 111.82 1h29 n VAL 242 Ca 0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.10 1h29 n VAL 242 Cb 0.52 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 -2.14 5.83 0.09 4.52 0.01 -1.26 -4.98 114.94 117.00 1h29 s ASN 243 Ca 0.00 1.91 -0.23 0.00 -0.71 0.00 0.00 52.86 53.83 1h29 s ASN 243 Cb 0.00 -2.55 -0.15 0.00 0.41 0.00 0.00 41.25 38.96 1h29 s ASN 243 CO 0.00 -1.13 1.72 0.00 -1.51 0.00 0.00 177.10 176.18 1h29 h ALA 245 N 0.97 1.29 -1.12 0.00 0.00 -1.93 0.18 119.26 118.66 1h29 h ALA 245 Ca -0.00 0.01 0.31 0.00 0.00 0.00 0.00 54.91 55.24 1h29 h ALA 245 Cb 0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.51 1h29 h ALA 245 CO 0.00 0.22 0.72 0.78 0.00 0.00 0.00 179.25 180.97 1h29 h GLY 246 N 0.94 1.21 0.00 0.00 0.00 -1.75 0.26 103.07 103.73 1h29 h GLY 246 Ca 0.42 -0.17 -0.34 0.00 0.00 0.00 0.00 47.33 47.24 1h29 h GLY 246 CO -0.22 -0.21 -2.28 0.00 0.00 0.00 0.00 176.54 173.83 1h29 n HIS 248 N -2.85 0.00 -3.11 0.00 8.25 0.56 -4.71 115.22 113.35 1h29 n HIS 248 Ca -0.34 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.73 1h29 n HIS 248 Cb 1.04 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.10 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 -1.51 3.40 0.22 -1.41 0.00 0.86 -0.24 121.76 123.08 1h29 s ALA 249 Ca 0.09 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.06 1h29 s ALA 249 Cb 0.09 -2.86 0.33 0.00 0.00 0.00 0.00 23.12 20.68 1h29 s ALA 249 CO 0.30 0.03 1.74 -1.35 0.00 0.00 0.00 175.76 176.47 1h29 h PRO 250 N 6.20 0.39 -0.71 0.00 0.11 -1.87 -1.41 132.00 134.71 1h29 h PRO 250 Ca -0.43 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h29 h PRO 250 Cb 1.20 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1h29 h PRO 250 CO 0.73 0.26 0.43 0.93 -0.21 0.00 0.00 178.00 180.14 1h29 h GLU 251 N 0.40 0.95 -0.42 1.05 3.07 -1.93 -0.38 114.58 117.32 1h29 h GLU 251 Ca 0.34 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.36 59.04 1h29 h GLU 251 Cb 0.45 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1h29 h GLU 251 CO -0.34 0.66 -0.03 0.00 -1.40 0.00 0.00 179.01 177.90 1h29 h ALA 252 N 1.51 0.57 -0.27 3.43 0.00 -1.56 -3.13 119.26 119.81 1h29 h ALA 252 Ca 0.26 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1h29 h ALA 252 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1h29 h ALA 252 CO -0.05 0.39 -0.06 1.96 0.00 0.00 0.00 179.25 181.49 1h29 h GLN 253 N 0.60 0.42 0.00 0.00 4.20 -0.64 -2.27 115.11 117.42 1h29 h GLN 253 Ca 0.12 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1h29 h GLN 253 Cb 0.53 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1h29 h GLN 253 CO 0.03 0.50 0.00 0.00 -0.67 0.00 0.00 178.83 178.69 1h29 h ALA 254 N 1.54 1.00 0.00 3.87 0.00 -1.03 -2.93 119.26 121.71 1h29 h ALA 254 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1h29 h ALA 254 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1h29 h ALA 254 CO 0.02 0.00 -0.98 1.63 0.00 0.00 0.00 179.25 179.92 1h29 n LYS 255 N -2.80 0.21 -1.69 0.00 5.02 -0.86 -4.93 118.16 113.11 1h29 n LYS 255 Ca -0.00 -0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 1h29 n LYS 255 Cb 0.19 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1h29 n LYS 255 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1h29 n PHE 256 N -1.83 2.56 -1.68 2.13 3.72 -1.11 -4.90 117.46 116.36 1h29 n PHE 256 Ca 0.03 -0.09 -0.45 0.00 -0.05 0.00 0.00 57.45 56.88 1h29 n PHE 256 Cb 0.41 -2.70 -0.04 0.00 -0.94 0.00 0.00 39.48 36.21 1h29 n PHE 256 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1h29 n LYS 257 N 5.50 2.21 -4.36 -1.08 5.02 -1.26 -4.98 118.16 119.20 1h29 n LYS 257 Ca 0.18 0.80 -0.34 0.00 -2.02 0.00 0.00 58.31 56.93 1h29 n LYS 257 Cb 0.36 -2.56 -0.13 0.00 -0.02 0.00 0.00 35.03 32.68 1h29 n LYS 257 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h29 s VAL 258 N 0.75 3.63 -0.19 -0.18 1.01 -1.26 -4.87 120.40 119.28 1h29 s VAL 258 Ca 0.76 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1h29 s VAL 258 Cb -0.65 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1h29 s VAL 258 CO 0.40 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 175.39 1h29 s VAL 259 N 0.62 5.15 -0.17 2.92 1.01 -1.26 -5.02 120.40 123.66 1h29 s VAL 259 Ca -0.03 0.10 0.19 0.00 0.00 0.00 0.00 61.98 62.23 1h29 s VAL 259 Cb -0.15 -3.34 -0.27 0.00 0.00 0.00 0.00 36.38 32.62 1h29 s VAL 259 CO 0.03 0.45 0.15 0.54 0.00 0.00 0.00 175.10 176.26 1h29 n ARG 260 N 3.55 0.69 -2.05 2.72 1.74 -1.26 -4.50 116.66 117.54 1h29 n ARG 260 Ca -0.16 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.45 1h29 n ARG 260 Cb 0.52 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1h29 n ARG 260 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1h29 n GLU 261 N -2.65 3.01 -3.92 5.56 4.71 -1.26 -4.95 120.64 121.14 1h29 n GLU 261 Ca -0.27 -2.89 -0.36 0.00 -0.01 0.00 0.00 57.16 53.63 1h29 n GLU 261 Cb 1.04 -3.32 -0.12 0.00 -1.01 0.00 0.00 31.44 28.03 1h29 n GLU 261 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1h29 s VAL 262 N 3.28 4.38 0.88 2.62 1.01 -1.26 -5.09 120.40 126.22 1h29 s VAL 262 Ca 0.48 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 1h29 s VAL 262 Cb 0.10 -3.01 0.22 0.00 0.00 0.00 0.00 36.38 33.69 1h29 s VAL 262 CO -0.03 0.39 0.84 -0.81 0.00 0.00 0.00 175.10 175.49 1h29 n PRO 263 N 4.36 -2.33 -2.50 2.72 -0.04 -1.26 -4.97 135.00 130.98 1h29 n PRO 263 Ca -0.16 -1.33 -0.35 0.00 -0.04 0.00 0.00 63.50 61.61 1h29 n PRO 263 Cb 0.52 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 1h29 n PRO 263 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1h29 s ARG 264 N -4.88 3.93 -0.22 0.54 3.52 -1.26 -4.99 118.95 115.59 1h29 s ARG 264 Ca 0.53 1.48 -0.27 0.00 -0.13 0.00 0.00 55.73 57.34 1h29 s ARG 264 Cb -0.05 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 1h29 s ARG 264 CO 0.40 -0.34 0.94 -1.17 -0.81 0.00 0.00 175.30 174.32 1h29 s LEU 265 N -3.09 4.11 -0.80 -0.88 2.96 -1.26 -4.99 118.68 114.73 1h29 s LEU 265 Ca 0.63 1.24 -0.20 0.00 -0.22 0.00 0.00 54.13 55.58 1h29 s LEU 265 Cb -0.20 -3.38 0.11 0.00 0.50 0.00 0.00 46.19 43.23 1h29 s LEU 265 CO 0.25 -0.57 1.01 -0.62 -1.32 0.00 0.00 176.35 175.10 1h29 s ASP 266 N 1.24 6.45 -0.07 3.68 2.15 -1.26 -4.74 116.67 124.11 1h29 s ASP 266 Ca 0.40 -1.70 0.10 0.00 0.43 0.00 0.00 52.55 51.79 1h29 s ASP 266 Cb -0.15 -2.38 0.19 0.00 -0.30 0.00 0.00 42.92 40.27 1h29 s ASP 266 CO 0.08 -1.16 1.11 -1.14 -0.17 0.00 0.00 175.17 173.90 1h29 n ARG 267 N 6.73 2.21 -1.42 4.34 0.63 -1.26 -4.99 116.66 122.91 1h29 n ARG 267 Ca 0.11 -2.11 -0.14 0.00 -0.92 0.00 0.00 57.85 54.79 1h29 n ARG 267 Cb 0.47 -1.30 -0.06 0.00 0.45 0.00 0.00 32.46 32.02 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 -0.86 1.39 3.45 5.14 0.00 -1.26 -4.69 105.19 108.36 1h29 n GLY 268 Ca 0.09 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.60 0.45 -1.49 1.61 3.00 -1.26 -4.98 117.38 112.12 1h29 n GLN 269 Ca -0.14 0.18 -0.32 0.00 -0.01 0.00 0.00 57.00 56.72 1h29 n GLN 269 Cb 0.45 -1.68 0.07 0.00 0.00 0.00 0.00 30.24 29.08 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 -2.13 2.59 0.09 -1.09 0.04 -1.26 -4.96 135.00 128.28 1h29 s PRO 270 Ca 0.68 1.17 0.12 0.00 0.04 0.00 0.00 61.00 63.00 1h29 s PRO 270 Cb -0.43 -1.94 -0.16 0.00 0.04 0.00 0.00 34.50 32.01 1h29 s PRO 270 CO 0.56 -1.38 1.05 -0.44 0.04 0.00 0.00 177.00 176.82 1h29 h ASP 271 N -0.68 0.00 -3.67 6.66 3.45 -1.95 -3.40 116.42 116.83 1h29 h ASP 271 Ca -0.44 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 56.72 1h29 h ASP 271 Cb 1.23 0.00 -0.31 0.00 -0.56 0.00 0.00 39.33 39.69 1h29 h ASP 271 CO 0.53 0.84 -0.74 0.00 -1.57 0.00 0.00 179.24 178.31 1h29 s ALA 272 N -2.76 0.22 0.02 3.45 0.00 -1.26 -1.31 121.76 120.13 1h29 s ALA 272 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.07 1h29 s ALA 272 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1h29 s ALA 272 CO 0.81 -0.01 -0.25 0.00 0.00 0.00 0.00 175.76 176.31 1h29 s ALA 273 N 0.42 2.12 -0.38 0.00 0.00 0.08 -4.32 121.76 119.68 1h29 s ALA 273 Ca -0.04 -1.17 -0.08 0.00 0.00 0.00 0.00 51.96 50.67 1h29 s ALA 273 Cb -0.06 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.63 1h29 s ALA 273 CO -0.01 0.51 0.18 -1.17 0.00 0.00 0.00 175.76 175.27 1h29 s LEU 274 N -0.97 4.73 -0.14 0.00 2.96 -1.26 0.11 118.68 124.11 1h29 s LEU 274 Ca 0.10 -1.26 -0.17 0.00 -0.22 0.00 0.00 54.13 52.58 1h29 s LEU 274 Cb -0.10 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1h29 s LEU 274 CO 0.01 -0.42 0.43 -0.63 -1.32 0.00 0.00 176.35 174.42 1h29 s ILE 275 N 1.44 5.22 0.04 6.68 1.01 -0.81 -4.99 121.20 129.78 1h29 s ILE 275 Ca 0.01 0.83 0.07 0.00 0.00 0.00 0.00 60.65 61.56 1h29 s ILE 275 Cb -0.21 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1h29 s ILE 275 CO 0.03 0.33 -0.20 -0.76 0.00 0.00 0.00 174.94 174.34 1h29 s LEU 276 N 0.68 2.16 -1.10 2.97 1.43 -1.26 -3.20 118.68 120.37 1h29 s LEU 276 Ca 0.23 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 1h29 s LEU 276 Cb -0.15 -0.95 -0.07 0.00 0.03 0.00 0.00 46.19 45.06 1h29 s LEU 276 CO 0.08 0.15 2.28 -0.81 0.23 0.00 0.00 176.35 178.29 1h29 n PRO 277 N 1.88 2.42 -1.59 1.29 -0.04 -1.26 -4.92 135.00 132.79 1h29 n PRO 277 Ca -0.17 -1.78 -0.50 0.00 -0.04 0.00 0.00 63.50 61.01 1h29 n PRO 277 Cb 0.53 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 1h29 n PRO 277 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1h29 n VAL 278 N 4.41 0.36 -0.07 0.52 0.31 -1.26 -4.30 118.33 118.31 1h29 n VAL 278 Ca 0.54 -0.19 -0.07 0.00 -0.01 0.00 0.00 64.34 64.61 1h29 n VAL 278 Cb 0.22 -1.75 0.11 0.00 -0.91 0.00 0.00 33.84 31.51 1h29 n VAL 278 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1h29 h PRO 279 N 10.75 0.71 0.00 5.55 0.13 -1.92 -1.65 132.00 145.59 1h29 h PRO 279 Ca -0.39 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1h29 h PRO 279 Cb 1.30 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1h29 h PRO 279 CO 0.98 0.87 0.00 0.41 -0.23 0.00 0.00 178.00 180.03 1h29 n GLY 280 N -0.28 3.06 3.69 1.56 0.00 -1.26 -2.98 105.19 108.98 1h29 n GLY 280 Ca 0.00 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1h29 n GLY 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h29 s LYS 281 N -3.90 4.30 -0.53 1.61 2.20 -1.26 -2.36 119.74 119.80 1h29 s LYS 281 Ca 0.00 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 1h29 s LYS 281 Cb 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1h29 s LYS 281 CO 0.00 -0.54 0.00 -0.25 -0.36 0.00 0.00 175.35 174.20 1h29 n ASP 282 N 5.21 -5.21 -4.76 1.43 9.92 -1.26 -4.98 116.55 116.90 1h29 n ASP 282 Ca 0.13 0.12 -0.41 0.00 -0.53 0.00 0.00 54.79 54.10 1h29 n ASP 282 Cb 0.44 -3.15 -0.02 0.00 -0.64 0.00 0.00 41.12 37.75 1h29 n ASP 282 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h29 s ALA 283 N -1.65 3.65 1.04 2.24 0.00 -0.99 -5.02 121.76 121.03 1h29 s ALA 283 Ca 0.00 1.47 -0.18 0.00 0.00 0.00 0.00 51.96 53.25 1h29 s ALA 283 Cb 0.00 -3.60 0.24 0.00 0.00 0.00 0.00 23.12 19.76 1h29 s ALA 283 CO 0.00 -0.89 1.30 -1.25 0.00 0.00 0.00 175.76 174.91 1h29 s PRO 284 N -0.95 -0.01 0.52 0.00 0.04 -1.26 -4.91 135.00 128.42 1h29 s PRO 284 Ca 0.58 -0.43 0.29 0.00 0.04 0.00 0.00 61.00 61.48 1h29 s PRO 284 Cb -0.45 -1.77 1.42 0.00 0.04 0.00 0.00 34.50 33.74 1h29 s PRO 284 CO 0.50 -2.85 2.04 0.07 0.04 0.00 0.00 177.00 176.81 1h29 h ARG 285 N -1.96 0.00 -1.22 4.56 0.11 -2.00 -1.50 114.38 112.38 1h29 h ARG 285 Ca -0.44 0.00 0.36 0.00 0.10 0.00 0.00 59.98 60.00 1h29 h ARG 285 Cb 1.23 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.21 1h29 h ARG 285 CO 0.32 0.12 0.80 0.93 0.10 0.00 0.00 179.97 182.24 1h29 h GLU 286 N 0.00 0.19 -0.68 0.08 3.07 -2.02 -2.46 114.58 112.76 1h29 h GLU 286 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1h29 h GLU 286 Cb 0.40 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1h29 h GLU 286 CO 0.02 0.13 0.00 -1.33 -1.40 0.00 0.00 179.01 176.42 1h29 n MET 287 N -4.56 3.39 -1.62 2.33 2.81 -0.56 -4.93 117.12 113.98 1h29 n MET 287 Ca 0.31 -2.73 -0.30 0.00 -1.81 0.00 0.00 57.70 53.17 1h29 n MET 287 Cb 1.20 -1.80 0.07 0.00 -0.71 0.00 0.00 33.22 31.99 1h29 n MET 287 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1h29 s LYS 288 N -1.62 2.44 0.15 0.03 2.20 -0.93 -4.34 119.74 117.67 1h29 s LYS 288 Ca 0.49 0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 56.47 1h29 s LYS 288 Cb 0.30 -1.96 -0.10 0.00 -1.51 0.00 0.00 37.83 34.57 1h29 s LYS 288 CO 0.26 -1.38 1.63 0.20 -0.36 0.00 0.00 175.35 175.71 1h29 s GLY 289 N -3.97 1.48 -0.26 5.54 0.00 -1.26 -4.93 107.32 103.92 1h29 s GLY 289 Ca 0.60 1.38 -0.09 0.00 0.00 0.00 0.00 44.72 46.61 1h29 s GLY 289 CO 0.54 2.77 -0.30 2.41 0.00 0.00 0.00 173.10 178.51 1h29 n THR 290 N 4.19 1.42 -3.10 0.90 -1.04 -1.26 -5.03 114.28 110.35 1h29 n THR 290 Ca 0.15 -0.41 -0.21 0.00 -2.04 0.00 0.00 64.05 61.54 1h29 n THR 290 Cb 0.38 -1.73 0.01 0.00 -1.82 0.00 0.00 70.33 67.18 1h29 n THR 290 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1h29 s MET 291 N -2.48 2.99 0.73 -2.82 -1.94 -1.26 -5.09 119.30 109.44 1h29 s MET 291 Ca -0.35 -0.76 -0.14 0.00 -1.71 0.00 0.00 55.69 52.72 1h29 s MET 291 Cb 0.13 -2.65 0.04 0.00 2.01 0.00 0.00 34.83 34.35 1h29 s MET 291 CO 0.48 -0.22 1.15 0.15 -0.01 0.00 0.00 175.02 176.57 1h29 s LYS 292 N -4.44 2.25 1.14 2.03 1.02 -1.26 -5.01 119.74 115.47 1h29 s LYS 292 Ca 0.49 1.53 -0.19 0.00 0.02 0.00 0.00 55.97 57.82 1h29 s LYS 292 Cb -0.10 -1.87 0.27 0.00 -0.52 0.00 0.00 37.83 35.61 1h29 s LYS 292 CO 0.35 -1.70 1.17 -2.14 -0.92 0.00 0.00 175.35 172.11 1h29 s PRO 293 N -4.19 -0.76 -0.10 -1.68 0.02 -1.19 -4.44 135.00 122.65 1h29 s PRO 293 Ca 0.69 -0.18 -0.02 0.00 0.02 0.00 0.00 61.00 61.51 1h29 s PRO 293 Cb -0.24 -1.66 0.04 0.00 0.02 0.00 0.00 34.50 32.66 1h29 s PRO 293 CO 0.47 -3.39 0.01 0.08 -0.33 0.00 0.00 177.00 173.85 1h29 s VAL 294 N -3.26 0.36 0.28 3.83 1.01 -1.19 -0.99 120.40 120.43 1h29 s VAL 294 Ca 0.72 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.41 1h29 s VAL 294 Cb -0.08 -0.61 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 1h29 s VAL 294 CO 0.55 0.14 0.94 0.00 0.00 0.00 0.00 175.10 176.73 1h29 s ALA 295 N 1.97 3.28 -0.06 5.51 0.00 -1.26 -1.93 121.76 129.27 1h29 s ALA 295 Ca 0.04 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1h29 s ALA 295 Cb -0.13 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1h29 s ALA 295 CO -0.06 0.20 -0.11 0.12 0.00 0.00 0.00 175.76 175.90 1h29 s PHE 296 N -1.37 1.34 -0.98 0.00 5.36 0.12 -4.96 117.98 117.49 1h29 s PHE 296 Ca 0.45 -0.45 -0.22 0.00 -0.96 0.00 0.00 56.93 55.75 1h29 s PHE 296 Cb -0.23 -0.98 0.08 0.00 -0.34 0.00 0.00 43.02 41.55 1h29 s PHE 296 CO 0.28 -0.23 1.33 0.34 -1.46 0.00 0.00 175.22 175.48 1h29 s ASP 297 N 0.56 6.53 0.00 6.13 -1.08 -1.26 -0.74 116.67 126.80 1h29 s ASP 297 Ca -0.12 -1.61 -0.24 0.00 -0.52 0.00 0.00 52.55 50.06 1h29 s ASP 297 Cb -0.14 -2.51 -0.18 0.00 -1.46 0.00 0.00 42.92 38.62 1h29 s ASP 297 CO 0.03 -1.37 1.32 -0.74 0.52 0.00 0.00 175.17 174.93 1h29 h HIS 298 N 9.48 0.11 -0.44 -5.34 -0.00 -1.49 -2.61 115.15 114.86 1h29 h HIS 298 Ca 0.16 -0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.59 1h29 h HIS 298 Cb 1.02 -0.02 -0.08 0.00 -0.00 0.00 0.00 27.41 28.32 1h29 h HIS 298 CO 1.23 0.51 -0.08 -0.22 -0.00 0.00 0.00 177.93 179.38 1h29 h LYS 299 N -0.33 0.03 0.62 5.26 3.64 -1.53 -0.39 116.57 123.87 1h29 h LYS 299 Ca 0.01 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1h29 h LYS 299 Cb 0.49 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1h29 h LYS 299 CO 0.01 0.02 -0.33 0.00 -2.27 0.00 0.00 179.45 176.88 1h29 h ALA 300 N 1.43 -0.88 -0.50 5.00 0.00 -1.83 -3.02 119.26 119.46 1h29 h ALA 300 Ca 0.22 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1h29 h ALA 300 Cb 0.33 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1h29 h ALA 300 CO -0.43 -1.00 0.34 0.45 0.00 0.00 0.00 179.25 178.61 1h29 h HIS 301 N -0.87 0.33 -0.92 0.00 3.86 -0.99 -1.82 115.15 114.73 1h29 h HIS 301 Ca -0.08 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1h29 h HIS 301 Cb 0.68 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 29.00 1h29 h HIS 301 CO -0.06 0.17 0.61 0.93 0.86 0.00 0.00 177.93 180.44 1h29 h GLU 302 N 0.32 1.21 0.00 2.45 5.08 -0.96 -1.51 114.58 121.16 1h29 h GLU 302 Ca 0.23 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1h29 h GLU 302 Cb 0.47 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1h29 h GLU 302 CO -0.05 0.80 0.00 0.00 -1.00 0.00 0.00 179.01 178.76 1h29 h ALA 303 N 1.34 1.00 0.00 3.43 0.00 -1.30 -3.21 119.26 120.52 1h29 h ALA 303 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1h29 h ALA 303 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1h29 h ALA 303 CO -0.08 0.00 -1.56 1.63 0.00 0.00 0.00 179.25 179.24 1h29 n LYS 304 N -2.81 0.58 -2.57 0.00 4.76 -0.82 -4.95 118.16 112.36 1h29 n LYS 304 Ca 0.03 -0.07 -0.27 0.00 -2.87 0.00 0.00 58.31 55.13 1h29 n LYS 304 Cb 0.37 -1.62 0.01 0.00 -1.84 0.00 0.00 35.03 31.96 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 -3.42 3.40 -1.08 7.82 0.00 -0.63 -5.01 121.76 122.83 1h29 s ALA 305 Ca -0.04 -0.65 0.24 0.00 0.00 0.00 0.00 51.96 51.51 1h29 s ALA 305 Cb 0.13 -2.54 0.35 0.00 0.00 0.00 0.00 23.12 21.05 1h29 s ALA 305 CO 0.86 -0.55 1.30 0.09 0.00 0.00 0.00 175.76 177.46 1h29 n ASN 306 N -2.38 0.69 -2.65 0.00 3.02 -1.26 -4.97 115.26 107.71 1h29 n ASN 306 Ca 0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1h29 n ASN 306 Cb 0.56 0.42 0.01 0.00 -0.61 0.00 0.00 39.78 40.16 1h29 n ASN 306 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1h29 n ASP 307 N -1.40 -0.90 0.00 6.41 3.85 -1.26 -2.29 116.55 120.96 1h29 n ASP 307 Ca 0.06 -1.33 -0.10 0.00 -0.71 0.00 0.00 54.79 52.71 1h29 n ASP 307 Cb 0.34 1.43 -0.14 0.00 -1.35 0.00 0.00 41.12 41.40 1h29 n ASP 307 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1h29 h ARG 309 N 0.01 0.57 -1.37 0.00 3.08 -1.97 -1.29 114.38 113.42 1h29 h ARG 309 Ca -0.24 -0.03 0.42 0.00 0.07 0.00 0.00 59.98 60.20 1h29 h ARG 309 Cb 1.97 -0.13 -0.11 0.00 0.08 0.00 0.00 29.97 31.79 1h29 h ARG 309 CO 0.10 0.38 0.92 1.15 -1.07 0.00 0.00 179.97 181.44 1h29 h THR 310 N 0.59 0.19 0.00 2.04 2.02 -1.97 -2.58 112.91 113.20 1h29 h THR 310 Ca 0.40 -0.03 -0.24 0.00 0.77 0.00 0.00 66.41 67.30 1h29 h THR 310 Cb 0.51 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1h29 h THR 310 CO -0.32 0.02 -1.72 0.00 0.37 0.00 0.00 175.52 173.87 1h29 n HIS 312 N -3.98 3.29 0.10 0.00 8.25 -0.57 -4.77 115.22 117.53 1h29 n HIS 312 Ca -0.31 -2.99 0.01 0.00 -0.26 0.00 0.00 57.72 54.17 1h29 n HIS 312 Cb 0.66 -2.51 0.34 0.00 1.12 0.00 0.00 29.99 29.60 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 5.78 0.29 0.00 4.41 -0.00 -1.74 -3.23 115.15 120.67 1h29 h HIS 313 Ca 0.62 -0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.87 1h29 h HIS 313 Cb 0.57 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 1h29 h HIS 313 CO 1.53 0.45 -1.09 0.28 -0.00 0.00 0.00 177.93 179.10 1h29 n VAL 314 N -4.22 1.48 -3.92 6.12 0.31 -1.26 -4.95 118.33 111.90 1h29 n VAL 314 Ca -0.01 0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.30 1h29 n VAL 314 Cb 0.31 -2.27 -0.12 0.00 -0.91 0.00 0.00 33.84 30.85 1h29 n VAL 314 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1h29 s ARG 315 N -2.61 0.22 -0.35 5.55 3.52 -1.22 -4.04 118.95 120.02 1h29 s ARG 315 Ca -0.26 -0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 54.74 1h29 s ARG 315 Cb 0.05 0.09 0.01 0.00 -1.56 0.00 0.00 34.95 33.54 1h29 s ARG 315 CO 0.39 -0.04 1.27 0.42 -0.81 0.00 0.00 175.30 176.52 1h29 s ILE 316 N -0.84 4.15 0.04 4.11 1.01 -1.26 -4.63 121.20 123.78 1h29 s ILE 316 Ca -0.09 1.27 -0.06 0.00 0.00 0.00 0.00 60.65 61.76 1h29 s ILE 316 Cb -0.06 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.16 1h29 s ILE 316 CO -0.00 -0.62 0.29 -0.67 0.00 0.00 0.00 174.94 173.94 1h29 n ASP 317 N 7.80 -0.46 -4.64 3.58 -0.08 -1.26 -5.10 116.55 116.38 1h29 n ASP 317 Ca 0.14 -1.23 -0.30 0.00 -1.51 0.00 0.00 54.79 51.89 1h29 n ASP 317 Cb 0.47 0.75 0.18 0.00 2.34 0.00 0.00 41.12 44.86 1h29 n ASP 317 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1h29 s THR 318 N -2.39 2.34 0.18 5.18 -4.23 -1.26 -4.91 115.64 110.54 1h29 s THR 318 Ca 0.07 0.11 0.12 0.00 -1.18 0.00 0.00 61.69 60.80 1h29 s THR 318 Cb -0.01 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.48 1h29 s THR 318 CO 0.01 -0.14 1.54 0.00 -0.54 0.00 0.00 174.62 175.50 1h29 n THR 320 N -3.60 0.67 -0.05 0.00 -2.24 -1.26 -0.17 114.28 107.63 1h29 n THR 320 Ca -0.00 0.04 0.15 0.00 -2.27 0.00 0.00 64.05 61.97 1h29 n THR 320 Cb 0.68 -0.87 0.57 0.00 -2.10 0.00 0.00 70.33 68.62 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 2.48 2.20 0.00 6.98 0.00 -1.95 -3.30 119.26 125.67 1h29 h ALA 321 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1h29 h ALA 321 Cb 0.48 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1h29 h ALA 321 CO 0.00 -0.35 -1.34 0.00 0.00 0.00 0.00 179.25 177.56 1h29 n HIS 323 N -3.01 3.39 -1.06 0.00 8.25 0.76 -3.15 115.22 120.39 1h29 n HIS 323 Ca -0.11 -2.91 -0.30 0.00 -0.26 0.00 0.00 57.72 54.14 1h29 n HIS 323 Cb 0.60 -2.32 0.23 0.00 1.12 0.00 0.00 29.99 29.61 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 2.13 1.68 0.37 1.59 -4.23 -1.24 -4.03 115.64 111.91 1h29 s THR 324 Ca 0.44 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.10 1h29 s THR 324 Cb 0.12 -2.47 0.12 0.00 1.34 0.00 0.00 72.50 71.61 1h29 s THR 324 CO -0.05 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 176.47 1h29 h VAL 325 N -2.47 1.18 0.01 2.29 2.07 -1.38 -0.34 116.25 117.61 1h29 h VAL 325 Ca -0.47 -1.17 -0.21 0.00 0.82 0.00 0.00 66.70 65.66 1h29 h VAL 325 Cb 1.31 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1h29 h VAL 325 CO 0.40 0.33 -0.91 -1.13 0.02 0.00 0.00 177.57 176.27 1h29 h ASN 326 N 0.00 0.34 -3.81 0.57 -1.24 -1.80 -3.39 115.58 106.26 1h29 h ASN 326 Ca -0.00 -0.28 0.00 0.00 0.71 0.00 0.00 56.30 56.73 1h29 h ASN 326 Cb 0.62 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1h29 h ASN 326 CO 0.04 1.09 0.00 0.61 -1.29 0.00 0.00 177.43 177.88 1h29 n GLY 327 N 0.93 -2.00 3.45 1.57 0.00 -1.06 -4.80 105.19 103.28 1h29 n GLY 327 Ca -0.05 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 1h29 n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h29 s THR 328 N -2.88 2.08 0.13 2.61 2.01 -1.19 -4.82 115.64 113.58 1h29 s THR 328 Ca 0.00 -2.26 -0.20 0.00 0.31 0.00 0.00 61.69 59.54 1h29 s THR 328 Cb 0.00 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 1h29 s THR 328 CO 0.00 -0.39 1.70 0.00 -0.69 0.00 0.00 174.62 175.24 1h29 h ALA 329 N 2.29 0.12 -1.56 7.40 0.00 -1.94 0.32 119.26 125.88 1h29 h ALA 329 Ca -0.40 0.08 0.47 0.00 0.00 0.00 0.00 54.91 55.06 1h29 h ALA 329 Cb 1.24 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 1h29 h ALA 329 CO 0.64 -0.49 1.09 -0.44 0.00 0.00 0.00 179.25 180.06 1h29 h ASP 330 N -0.02 0.09 -0.49 0.00 3.45 -1.95 0.45 116.42 117.95 1h29 h ASP 330 Ca 0.10 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1h29 h ASP 330 Cb 0.17 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1h29 h ASP 330 CO -0.22 -0.05 0.00 -1.54 -1.57 0.00 0.00 179.24 175.86 1h29 n SER 331 N -4.24 3.33 -2.40 6.45 3.41 -0.89 -4.94 113.62 114.35 1h29 n SER 331 Ca 0.37 -2.02 -0.17 0.00 -0.26 0.00 0.00 58.87 56.79 1h29 n SER 331 Cb 1.62 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 65.23 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 0.91 -1.91 -2.25 4.33 5.02 0.16 -1.94 118.16 122.48 1h29 n LYS 332 Ca 0.16 0.83 -0.20 0.00 -2.02 0.00 0.00 58.31 57.09 1h29 n LYS 332 Cb 0.51 -5.46 -0.02 0.00 -0.02 0.00 0.00 35.03 30.03 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 -3.69 -0.79 -2.56 2.13 3.01 0.11 -4.97 117.46 110.70 1h29 n PHE 333 Ca -0.20 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.83 1h29 n PHE 333 Cb 0.65 -3.75 -0.03 0.00 -0.01 0.00 0.00 39.48 36.35 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 -2.95 4.49 0.64 -4.37 1.01 -0.82 -4.75 120.40 113.65 1h29 s VAL 334 Ca 0.00 1.79 -0.09 0.00 0.00 0.00 0.00 61.98 63.68 1h29 s VAL 334 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1h29 s VAL 334 CO 0.00 -0.03 1.00 -1.10 0.00 0.00 0.00 175.10 174.97 1h29 s GLN 335 N 2.32 2.99 0.17 2.72 -0.21 -1.26 -4.49 119.66 121.91 1h29 s GLN 335 Ca 0.52 0.30 -0.18 0.00 0.02 0.00 0.00 55.36 56.02 1h29 s GLN 335 Cb -0.21 -2.14 0.11 0.00 1.00 0.00 0.00 33.01 31.77 1h29 s GLN 335 CO 0.18 -0.82 1.64 1.25 -2.12 0.00 0.00 175.29 175.42 1h29 h LEU 336 N -0.39 -0.63 -0.88 2.90 5.85 -1.20 -1.88 115.31 119.07 1h29 h LEU 336 Ca -0.45 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.54 1h29 h LEU 336 Cb 1.25 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 42.55 1h29 h LEU 336 CO 0.62 -0.21 0.51 -0.08 -0.34 0.00 0.00 178.44 178.94 1h29 h GLU 337 N -0.09 0.79 0.14 1.25 4.81 -1.90 -1.72 114.58 117.87 1h29 h GLU 337 Ca 0.21 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1h29 h GLU 337 Cb 0.41 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1h29 h GLU 337 CO -0.49 0.52 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.03 1h29 h LYS 338 N 0.82 -0.18 -1.14 1.92 3.64 -1.74 -0.69 116.57 119.20 1h29 h LYS 338 Ca 0.44 0.01 0.32 0.00 -1.27 0.00 0.00 60.65 60.16 1h29 h LYS 338 Cb 0.47 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 1h29 h LYS 338 CO -0.28 0.02 0.79 0.00 -2.27 0.00 0.00 179.45 177.72 1h29 h ALA 339 N 0.49 2.86 0.00 5.00 0.00 -0.62 -2.46 119.26 124.53 1h29 h ALA 339 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1h29 h ALA 339 Cb 0.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1h29 h ALA 339 CO 0.03 -1.22 -1.73 -1.33 0.00 0.00 0.00 179.25 175.00 1h29 n MET 340 N -4.32 0.58 0.00 0.00 2.81 -0.80 -3.93 117.12 111.46 1h29 n MET 340 Ca 0.25 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1h29 n MET 340 Cb 1.14 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 32.24 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 -2.06 0.00 -1.56 2.03 8.25 -0.29 -1.85 115.22 119.74 1h29 n HIS 341 Ca -0.03 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.96 1h29 n HIS 341 Cb 0.44 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.29 1.69 0.32 -0.41 -0.06 -0.94 -4.50 117.38 113.18 1h29 n GLN 342 Ca 0.00 0.52 0.21 0.00 -2.00 0.00 0.00 57.00 55.72 1h29 n GLN 342 Cb 0.02 -2.78 1.02 0.00 -4.06 0.00 0.00 30.24 24.44 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 12.46 0.00 0.00 3.69 0.11 -1.92 -2.85 132.00 143.48 1h29 h PRO 343 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1h29 h PRO 343 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1h29 h PRO 343 CO 0.98 0.00 -0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 1h29 n ASP 344 N -3.11 2.14 -4.82 -2.05 5.75 -1.26 -4.30 116.55 108.89 1h29 n ASP 344 Ca -0.02 -2.49 -0.37 0.00 -0.01 0.00 0.00 54.79 51.90 1h29 n ASP 344 Cb 0.16 -0.20 -0.06 0.00 -1.03 0.00 0.00 41.12 39.99 1h29 n ASP 344 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1h29 s SER 345 N -1.85 6.55 0.50 -1.12 0.15 -1.09 -4.96 113.70 111.88 1h29 s SER 345 Ca 0.15 0.66 0.33 0.00 0.70 0.00 0.00 55.95 57.79 1h29 s SER 345 Cb 0.13 -2.17 1.50 0.00 -1.71 0.00 0.00 66.02 63.78 1h29 s SER 345 CO 0.01 0.30 1.99 0.24 1.20 0.00 0.00 173.24 176.98 1h29 h MET 346 N 5.33 0.00 -0.14 5.44 2.86 -1.89 -2.41 114.93 124.12 1h29 h MET 346 Ca -0.50 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 56.99 1h29 h MET 346 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1h29 h MET 346 CO 0.64 0.00 -0.56 0.00 1.06 0.00 0.00 176.91 178.05 1h29 h ARG 347 N 0.00 0.41 -6.69 1.72 3.08 -1.93 -3.36 114.38 107.61 1h29 h ARG 347 Ca 0.00 -0.26 -0.50 0.00 0.07 0.00 0.00 59.98 59.29 1h29 h ARG 347 Cb 0.34 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.44 1h29 h ARG 347 CO 0.00 0.86 -0.03 -1.54 -1.07 0.00 0.00 179.97 178.19 1h29 s SER 348 N -6.91 6.36 0.08 7.04 1.04 -1.23 -4.88 113.70 115.21 1h29 s SER 348 Ca -0.06 0.79 -0.30 0.00 0.48 0.00 0.00 55.95 56.85 1h29 s SER 348 Cb 0.12 -2.18 -0.16 0.00 0.10 0.00 0.00 66.02 63.90 1h29 s SER 348 CO 0.82 -0.37 1.64 0.00 0.98 0.00 0.00 173.24 176.31 1h29 h VAL 350 N -0.69 1.27 0.16 0.00 2.07 -1.82 -1.81 116.25 115.43 1h29 h VAL 350 Ca -0.05 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1h29 h VAL 350 Cb 0.57 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1h29 h VAL 350 CO 0.05 0.42 -0.07 1.23 0.02 0.00 0.00 177.57 179.22 1h29 h GLY 351 N 0.99 -0.22 0.99 2.17 0.00 -1.38 0.82 103.07 106.44 1h29 h GLY 351 Ca 0.17 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 1h29 h GLY 351 CO 0.03 -0.08 0.12 0.00 0.00 0.00 0.00 176.54 176.61 1h29 h HIS 353 N 0.72 0.63 0.00 0.00 3.86 -1.20 -2.08 115.15 117.09 1h29 h HIS 353 Ca 0.16 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1h29 h HIS 353 Cb 0.35 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 1h29 h HIS 353 CO 0.02 0.43 -0.13 -0.91 0.86 0.00 0.00 177.93 178.21 1h29 h ASN 354 N 0.67 0.00 1.55 2.45 2.35 0.15 -1.92 115.58 120.83 1h29 h ASN 354 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1h29 h ASN 354 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1h29 h ASN 354 CO -0.03 0.13 -0.42 0.71 -1.65 0.00 0.00 177.43 176.17 1h29 h THR 355 N 0.00 0.00 -0.11 2.81 1.35 -1.07 -3.27 112.91 112.62 1h29 h THR 355 Ca -0.00 -0.97 -0.02 0.00 -0.55 0.00 0.00 66.41 64.87 1h29 h THR 355 Cb 0.24 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1h29 h THR 355 CO 0.02 0.00 -0.01 -0.09 -0.25 0.00 0.00 175.52 175.18 1h29 h ARG 356 N 0.00 0.20 0.00 4.72 9.65 -1.12 -3.10 114.38 124.72 1h29 h ARG 356 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1h29 h ARG 356 Cb 0.99 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 1h29 h ARG 356 CO 0.00 0.48 0.00 1.33 2.80 0.00 0.00 179.97 184.58 1h29 n VAL 357 N -4.78 0.00 1.01 0.20 0.24 -0.84 -2.10 118.33 112.06 1h29 n VAL 357 Ca -0.06 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.35 1h29 n VAL 357 Cb 0.22 -0.47 0.01 0.00 -1.47 0.00 0.00 33.84 32.14 1h29 n VAL 357 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h29 n GLN 358 N -0.66 0.14 -2.05 7.34 6.02 -1.17 -3.28 117.38 123.71 1h29 n GLN 358 Ca 0.03 -0.11 -0.40 0.00 -0.01 0.00 0.00 57.00 56.51 1h29 n GLN 358 Cb 0.01 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.77 1h29 n GLN 358 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1h29 s GLN 359 N -2.93 4.11 0.51 -1.09 -2.07 -0.89 -4.61 119.66 112.70 1h29 s GLN 359 Ca 0.10 2.21 0.39 0.00 -1.82 0.00 0.00 55.36 56.25 1h29 s GLN 359 Cb 0.17 -2.88 1.56 0.00 -1.09 0.00 0.00 33.01 30.76 1h29 s GLN 359 CO 0.78 -0.39 1.67 -1.35 -1.32 0.00 0.00 175.29 174.68 1h29 h PRO 360 N 2.95 0.05 0.00 9.60 0.11 -1.92 0.34 132.00 143.13 1h29 h PRO 360 Ca -0.49 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1h29 h PRO 360 Cb 1.24 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1h29 h PRO 360 CO 0.64 0.03 -0.18 1.15 -0.21 0.00 0.00 178.00 179.42 1h29 h THR 361 N 0.05 0.79 0.00 -1.15 2.02 -1.88 -3.24 112.91 109.50 1h29 h THR 361 Ca 0.77 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 1h29 h THR 361 Cb 2.86 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 70.69 1h29 h THR 361 CO -0.13 0.18 -1.46 0.00 0.37 0.00 0.00 175.52 174.48 1h29 h ALA 363 N 0.46 1.28 0.16 0.00 0.00 -1.18 -0.05 119.26 119.94 1h29 h ALA 363 Ca -0.14 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1h29 h ALA 363 Cb 1.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1h29 h ALA 363 CO 0.01 0.09 -0.19 0.78 0.00 0.00 0.00 179.25 179.93 1h29 h GLY 364 N 0.62 -0.38 0.31 0.00 0.00 -1.82 0.22 103.07 102.02 1h29 h GLY 364 Ca -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1h29 h GLY 364 CO 0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 176.54 176.32 1h29 h HIS 366 N -0.68 0.00 0.00 0.00 -0.00 -0.94 0.56 115.15 114.09 1h29 h HIS 366 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1h29 h HIS 366 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.19 1h29 h HIS 366 CO 0.18 0.00 -0.02 0.41 -0.00 0.00 0.00 177.93 178.50 1h29 n GLY 367 N 0.35 -1.50 0.25 2.45 0.00 0.77 -4.35 105.19 103.15 1h29 n GLY 367 Ca 0.03 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.55 0.00 -2.25 1.61 7.35 0.10 -5.02 117.46 117.70 1h29 n PHE 368 Ca 0.07 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.36 1h29 n PHE 368 Cb 0.35 -0.74 -0.03 0.00 0.35 0.00 0.00 39.48 39.41 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 -2.53 3.02 0.11 -2.13 -4.36 -0.68 -5.05 121.20 109.58 1h29 s ILE 369 Ca -0.31 0.99 -0.23 0.00 -0.26 0.00 0.00 60.65 60.84 1h29 s ILE 369 Cb 0.10 -3.61 -0.07 0.00 1.25 0.00 0.00 42.46 40.13 1h29 s ILE 369 CO 0.41 0.20 0.69 -0.54 0.24 0.00 0.00 174.94 175.94 1h29 s LYS 370 N -1.83 4.41 0.40 0.37 -0.14 -1.26 -4.92 119.74 116.77 1h29 s LYS 370 Ca 0.50 0.97 -0.27 0.00 -1.36 0.00 0.00 55.97 55.80 1h29 s LYS 370 Cb -0.35 -3.27 -0.10 0.00 -1.68 0.00 0.00 37.83 32.42 1h29 s LYS 370 CO 0.46 0.55 1.48 -1.25 -0.76 0.00 0.00 175.35 175.84 1h29 s PRO 371 N -0.96 4.00 0.23 -1.68 0.04 -1.26 -4.92 135.00 130.45 1h29 s PRO 371 Ca 0.33 2.56 0.05 0.00 0.04 0.00 0.00 61.00 63.98 1h29 s PRO 371 Cb -0.21 -2.89 0.23 0.00 0.04 0.00 0.00 34.50 31.67 1h29 s PRO 371 CO 0.23 -0.62 1.54 1.15 0.04 0.00 0.00 177.00 179.34 1h29 h THR 372 N 2.82 1.41 -6.50 1.26 2.02 -2.05 -3.47 112.91 108.39 1h29 h THR 372 Ca -0.51 -2.10 -0.51 0.00 0.77 0.00 0.00 66.41 64.07 1h29 h THR 372 Cb 1.25 2.09 -0.09 0.00 -1.74 0.00 0.00 68.15 69.65 1h29 h THR 372 CO 0.63 0.61 -0.83 0.29 0.37 0.00 0.00 175.52 176.59 1h29 n LYS 373 N -3.83 -3.90 -1.66 6.66 5.02 -1.26 -4.93 118.16 114.25 1h29 n LYS 373 Ca -0.02 0.46 -0.39 0.00 -2.02 0.00 0.00 58.31 56.33 1h29 n LYS 373 Cb 0.64 -5.00 0.03 0.00 -0.02 0.00 0.00 35.03 30.68 1h29 n LYS 373 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1h29 n SER 374 N -2.84 1.76 -0.07 4.39 7.64 -1.26 -4.84 113.62 118.40 1h29 n SER 374 Ca -0.10 0.97 -0.07 0.00 1.01 0.00 0.00 58.87 60.68 1h29 n SER 374 Cb 0.58 -1.45 -0.01 0.00 -1.01 0.00 0.00 64.21 62.32 1h29 n SER 374 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1h29 h ASP 375 N 1.33 -0.18 -0.84 6.43 -0.00 -1.99 0.15 116.42 121.32 1h29 h ASP 375 Ca -0.48 0.07 0.16 0.00 -0.00 0.00 0.00 57.03 56.78 1h29 h ASP 375 Cb 1.33 0.14 -0.10 0.00 -0.00 0.00 0.00 39.33 40.70 1h29 h ASP 375 CO 0.56 -0.06 0.40 0.00 -0.00 0.00 0.00 179.24 180.14 1h29 h ALA 376 N 1.25 1.26 -0.15 -0.78 0.00 -1.97 -1.05 119.26 117.82 1h29 h ALA 376 Ca 0.13 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1h29 h ALA 376 Cb 0.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1h29 h ALA 376 CO -0.25 -0.17 -0.67 0.37 0.00 0.00 0.00 179.25 178.53 1h29 h GLN 377 N 0.53 0.58 0.00 0.00 5.75 -1.81 -1.83 115.11 118.32 1h29 h GLN 377 Ca 0.47 -0.42 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1h29 h GLN 377 Cb 0.74 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.36 1h29 h GLN 377 CO -0.41 1.05 -0.05 0.00 -2.65 0.00 0.00 178.83 176.77 1h29 n GLY 379 N -1.27 -1.32 0.14 0.00 0.00 -0.47 -0.66 105.19 101.61 1h29 n GLY 379 Ca -0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 0.10 0.77 0.10 1.61 2.07 -1.28 -3.33 116.25 116.30 1h29 h VAL 380 Ca 0.00 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.18 1h29 h VAL 380 Cb 0.45 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1h29 h VAL 380 CO 0.00 0.00 -1.86 0.00 0.02 0.00 0.00 177.57 175.73 1h29 s HIS 382 N -2.58 2.71 0.08 0.00 3.76 0.17 -4.26 115.29 115.17 1h29 s HIS 382 Ca -0.17 -0.51 0.08 0.00 -0.15 0.00 0.00 55.06 54.32 1h29 s HIS 382 Cb 0.07 -4.24 -0.03 0.00 1.11 0.00 0.00 32.58 29.49 1h29 s HIS 382 CO 0.80 -1.59 -0.22 0.08 -0.85 0.00 0.00 174.74 172.96 1h29 s VAL 383 N 3.96 1.84 0.29 -0.90 1.01 -0.16 -4.35 120.40 122.08 1h29 s VAL 383 Ca 0.22 -1.45 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1h29 s VAL 383 Cb -0.17 -1.63 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 1h29 s VAL 383 CO 0.11 0.10 1.26 0.00 0.00 0.00 0.00 175.10 176.56 1h29 s ALA 384 N -0.99 3.48 -0.34 5.51 0.00 -1.26 -3.17 121.76 125.00 1h29 s ALA 384 Ca 0.09 1.14 -0.25 0.00 0.00 0.00 0.00 51.96 52.93 1h29 s ALA 384 Cb -0.10 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1h29 s ALA 384 CO 0.04 -0.50 0.88 0.00 0.00 0.00 0.00 175.76 176.18 1h29 s ALA 385 N -0.84 3.47 0.11 0.00 0.00 -1.26 -4.93 121.76 118.31 1h29 s ALA 385 Ca 0.50 -0.41 -0.22 0.00 0.00 0.00 0.00 51.96 51.83 1h29 s ALA 385 Cb -0.37 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 1h29 s ALA 385 CO 0.46 -1.43 1.10 -2.30 0.00 0.00 0.00 175.76 173.59 1h29 n PRO 386 N 6.54 -0.31 0.10 0.00 -0.02 -1.26 -3.44 135.00 136.61 1h29 n PRO 386 Ca 0.06 1.08 -0.19 0.00 -2.02 0.00 0.00 63.50 62.43 1h29 n PRO 386 Cb 0.48 -1.59 -0.12 0.00 -0.02 0.00 0.00 33.50 32.25 1h29 n PRO 386 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1h29 h GLY 387 N 0.00 0.52 -7.04 -1.23 0.00 -1.97 -3.44 103.07 89.90 1h29 h GLY 387 Ca 0.11 -1.16 -0.63 0.00 0.00 0.00 0.00 47.33 45.65 1h29 h GLY 387 CO -0.67 1.02 -0.56 -1.36 0.00 0.00 0.00 176.54 174.98 1h29 s PHE 388 N -2.86 3.22 -0.14 5.60 0.40 -1.22 -5.08 117.98 117.89 1h29 s PHE 388 Ca -0.07 -0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1h29 s PHE 388 Cb 0.06 -2.23 0.03 0.00 0.51 0.00 0.00 43.02 41.39 1h29 s PHE 388 CO 0.91 -0.07 -0.09 -0.51 0.70 0.00 0.00 175.22 176.17 1h29 s ASP 389 N 1.15 2.58 -0.31 1.36 1.01 -1.26 -4.66 116.67 116.54 1h29 s ASP 389 Ca 0.06 -0.50 -0.02 0.00 0.71 0.00 0.00 52.55 52.81 1h29 s ASP 389 Cb -0.14 -0.97 0.02 0.00 1.01 0.00 0.00 42.92 42.83 1h29 s ASP 389 CO 0.04 -0.13 0.04 0.00 0.21 0.00 0.00 175.17 175.34 1h29 n ALA 390 N 4.86 -0.83 0.00 5.23 0.00 -1.26 -3.87 120.51 124.64 1h29 n ALA 390 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1h29 n ALA 390 Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1h29 n ALA 390 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h29 n LYS 391 N -1.48 0.00 0.03 0.00 3.00 -1.26 -4.88 118.16 113.57 1h29 n LYS 391 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.24 1h29 n LYS 391 Cb 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.05 1h29 n LYS 391 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1h29 h GLN 392 N 0.00 0.00 0.05 1.64 4.20 -1.93 -3.38 115.11 115.69 1h29 h GLN 392 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h29 h GLN 392 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1h29 h GLN 392 CO 0.00 0.53 -0.02 0.28 -0.67 0.00 0.00 178.83 178.94 1h29 h VAL 393 N 0.00 1.05 -1.79 -0.54 2.07 -1.89 -2.14 116.25 113.00 1h29 h VAL 393 Ca -0.15 -0.33 -0.53 0.00 0.82 0.00 0.00 66.70 66.51 1h29 h VAL 393 Cb 1.74 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.70 1h29 h VAL 393 CO 0.08 0.08 1.20 -0.70 0.02 0.00 0.00 177.57 178.25 1h29 s GLU 394 N -5.60 3.15 0.00 1.57 2.12 -1.26 -1.39 118.70 117.29 1h29 s GLU 394 Ca -0.14 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1h29 s GLU 394 Cb 0.05 -4.63 0.00 0.00 0.26 0.00 0.00 34.13 29.81 1h29 s GLU 394 CO 0.66 -2.38 0.00 0.00 -0.54 0.00 0.00 175.26 173.00 1h29 n ALA 395 N 10.22 0.00 0.00 6.30 0.00 -1.26 -4.87 120.51 130.90 1h29 n ALA 395 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1h29 n ALA 395 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 1.09 0.37 0.00 0.00 -0.49 -5.02 105.19 101.15 1h29 n GLY 396 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 1.65 0.15 4.61 0.00 -1.53 0.66 119.26 124.79 1h29 h ALA 397 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 1h29 h ALA 397 Cb 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.62 1h29 h ALA 397 CO 0.00 0.14 -1.28 -0.07 0.00 0.00 0.00 179.25 178.05 1h29 h LEU 398 N 0.87 0.75 -0.69 0.00 3.38 -1.85 -3.33 115.31 114.44 1h29 h LEU 398 Ca 0.43 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1h29 h LEU 398 Cb 0.48 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1h29 h LEU 398 CO -0.20 1.55 0.00 0.18 0.09 0.00 0.00 178.44 180.06 1h29 n LEU 399 N -3.71 0.64 -0.38 1.67 4.32 0.02 -2.51 117.00 117.05 1h29 n LEU 399 Ca -0.13 0.66 0.08 0.00 -0.02 0.00 0.00 56.01 56.60 1h29 n LEU 399 Cb 1.01 -0.58 0.18 0.00 -1.62 0.00 0.00 43.42 42.41 1h29 n LEU 399 CO 0.57 -0.56 0.56 0.59 -1.22 0.00 0.00 177.39 177.34 1h29 n ASN 400 N -2.21 2.49 -4.77 -1.43 3.02 -0.04 -5.03 115.26 107.29 1h29 n ASN 400 Ca 0.02 -3.28 -0.37 0.00 -0.03 0.00 0.00 54.58 50.92 1h29 n ASN 400 Cb 0.22 -0.48 -0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1h29 n ASN 400 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h29 s LEU 401 N -2.96 3.99 0.61 3.41 1.43 -1.04 -5.03 118.68 119.09 1h29 s LEU 401 Ca 0.36 2.34 -0.16 0.00 -1.03 0.00 0.00 54.13 55.63 1h29 s LEU 401 Cb 0.32 -4.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.26 1h29 s LEU 401 CO 0.02 -0.98 1.11 -0.54 0.23 0.00 0.00 176.35 176.19 1h29 s LYS 402 N -2.73 3.05 0.35 1.70 1.02 -1.26 -4.81 119.74 117.05 1h29 s LYS 402 Ca 0.64 1.43 0.10 0.00 0.02 0.00 0.00 55.97 58.17 1h29 s LYS 402 Cb -0.29 -1.98 0.86 0.00 -0.52 0.00 0.00 37.83 35.90 1h29 s LYS 402 CO 0.36 -1.06 1.81 0.00 -0.92 0.00 0.00 175.35 175.54 1h29 h ALA 403 N 0.46 1.88 -0.07 5.17 0.00 -1.99 -0.19 119.26 124.52 1h29 h ALA 403 Ca -0.48 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1h29 h ALA 403 Cb 1.25 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1h29 h ALA 403 CO 0.55 -0.20 0.02 0.93 0.00 0.00 0.00 179.25 180.55 1h29 h GLU 404 N 0.64 0.10 -0.86 0.00 3.07 -1.99 -1.14 114.58 114.41 1h29 h GLU 404 Ca 0.53 -0.02 0.12 0.00 -0.50 0.00 0.00 59.36 59.49 1h29 h GLU 404 Cb 0.98 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.79 1h29 h GLU 404 CO -0.29 0.28 0.48 1.96 -1.40 0.00 0.00 179.01 180.04 1h29 h GLN 405 N -0.10 0.72 -0.33 2.33 4.20 -1.63 -1.80 115.11 118.51 1h29 h GLN 405 Ca 0.02 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1h29 h GLN 405 Cb 0.22 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1h29 h GLN 405 CO -0.00 0.48 -0.03 0.00 -0.67 0.00 0.00 178.83 178.60 1h29 h ARG 406 N 0.75 0.53 -0.32 1.46 3.08 -0.72 -1.89 114.38 117.27 1h29 h ARG 406 Ca 0.44 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 60.25 1h29 h ARG 406 Cb 0.50 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1h29 h ARG 406 CO -0.30 0.58 -0.28 0.77 -1.07 0.00 0.00 179.97 179.68 1h29 h SER 407 N 0.50 0.67 -0.02 7.04 0.02 -0.40 -1.65 113.55 119.70 1h29 h SER 407 Ca 0.10 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1h29 h SER 407 Cb 0.38 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1h29 h SER 407 CO 0.02 0.91 -0.02 1.56 -1.14 0.00 0.00 176.83 178.16 1h29 h GLN 408 N 0.56 0.06 -0.71 3.45 4.20 -0.89 0.38 115.11 122.16 1h29 h GLN 408 Ca 0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1h29 h GLN 408 Cb 0.77 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 1h29 h GLN 408 CO 0.06 0.51 0.35 0.28 -0.67 0.00 0.00 178.83 179.36 1h29 h VAL 409 N -0.40 1.22 -0.11 -0.54 2.07 -1.36 0.10 116.25 117.25 1h29 h VAL 409 Ca 0.00 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 1h29 h VAL 409 Cb 0.50 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1h29 h VAL 409 CO 0.01 0.26 -0.25 0.00 0.02 0.00 0.00 177.57 177.60 1h29 h ALA 410 N 1.39 0.18 -1.03 1.67 0.00 -1.29 -2.05 119.26 118.13 1h29 h ALA 410 Ca 0.25 -0.40 0.26 0.00 0.00 0.00 0.00 54.91 55.02 1h29 h ALA 410 Cb 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.74 1h29 h ALA 410 CO -0.03 0.16 0.64 0.00 0.00 0.00 0.00 179.25 180.02 1h29 h ALA 411 N 0.51 2.02 -0.05 0.00 0.00 0.19 -1.42 119.26 120.51 1h29 h ALA 411 Ca -0.00 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1h29 h ALA 411 Cb 0.85 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1h29 h ALA 411 CO 0.06 -0.47 -0.94 0.77 0.00 0.00 0.00 179.25 178.67 1h29 h SER 412 N 0.48 0.84 -0.30 0.00 0.02 -0.59 -2.61 113.55 111.39 1h29 h SER 412 Ca 0.63 -0.63 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1h29 h SER 412 Cb 1.39 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1h29 h SER 412 CO -0.39 1.43 0.06 0.24 -1.14 0.00 0.00 176.83 177.02 1h29 h MET 413 N 0.40 0.49 0.60 3.45 2.86 -0.62 -2.90 114.93 119.22 1h29 h MET 413 Ca -0.09 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1h29 h MET 413 Cb 1.58 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 33.18 1h29 h MET 413 CO 0.18 0.58 -0.29 -0.07 1.06 0.00 0.00 176.91 178.37 1h29 h LEU 414 N 0.32 -0.69 0.00 1.22 3.38 -1.32 -2.27 115.31 115.95 1h29 h LEU 414 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1h29 h LEU 414 Cb 0.32 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1h29 h LEU 414 CO 0.00 -0.48 0.00 -1.54 0.09 0.00 0.00 178.44 176.51 1h29 n SER 415 N -5.43 0.00 0.00 -0.43 3.41 -0.99 -2.52 113.62 107.66 1h29 n SER 415 Ca -0.13 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 1h29 n SER 415 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.69 2.00 -0.99 7.33 0.00 -0.97 -5.06 120.51 122.14 1h29 n ALA 416 Ca 0.05 -0.57 -0.31 0.00 0.00 0.00 0.00 53.44 52.61 1h29 n ALA 416 Cb 0.02 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.61 1h29 n ALA 416 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1h29 s ARG 417 N -0.26 1.52 0.84 0.00 0.52 -0.89 -4.97 118.95 115.70 1h29 s ARG 417 Ca 0.00 1.29 -0.14 0.00 -0.52 0.00 0.00 55.73 56.36 1h29 s ARG 417 Cb 0.00 -1.80 0.04 0.00 0.52 0.00 0.00 34.95 33.71 1h29 s ARG 417 CO 0.00 -2.20 0.77 -0.35 0.02 0.00 0.00 175.30 173.54 1h29 n PRO 418 N -3.91 0.01 -2.92 3.54 -0.04 -1.26 -4.98 135.00 125.45 1h29 n PRO 418 Ca 0.10 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.22 1h29 n PRO 418 Cb 0.53 -2.09 -0.05 0.00 -0.04 0.00 0.00 33.50 31.85 1h29 n PRO 418 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1h29 s GLN 419 N -3.64 4.58 -0.31 0.54 2.00 -1.26 -4.92 119.66 116.64 1h29 s GLN 419 Ca 0.66 1.19 -0.36 0.00 -2.00 0.00 0.00 55.36 54.85 1h29 s GLN 419 Cb -0.28 -3.33 -0.12 0.00 0.80 0.00 0.00 33.01 30.08 1h29 s GLN 419 CO 0.59 0.36 2.11 -0.35 -0.50 0.00 0.00 175.29 177.50 1h29 n PRO 420 N 2.41 1.21 0.02 1.67 -0.04 -1.26 -4.80 135.00 134.21 1h29 n PRO 420 Ca -0.02 0.36 0.07 0.00 -0.04 0.00 0.00 63.50 63.87 1h29 n PRO 420 Cb 0.49 -2.46 0.48 0.00 -0.04 0.00 0.00 33.50 31.98 1h29 n PRO 420 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1h29 h LYS 421 N 11.56 0.41 0.00 0.54 3.64 -1.80 -3.49 116.57 127.43 1h29 h LYS 421 Ca -0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1h29 h LYS 421 Cb 1.31 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1h29 h LYS 421 CO 1.00 0.27 0.00 0.41 -2.27 0.00 0.00 179.45 178.87 1h29 n GLY 422 N -1.50 -1.32 3.82 5.01 0.00 -1.26 -4.83 105.19 105.11 1h29 n GLY 422 Ca 0.04 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 1h29 n GLY 422 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h29 s THR 423 N 0.00 1.51 0.97 2.61 2.01 -1.26 -3.71 115.64 117.77 1h29 s THR 423 Ca 0.00 -1.73 -0.12 0.00 0.31 0.00 0.00 61.69 60.15 1h29 s THR 423 Cb 0.00 -2.24 0.12 0.00 0.01 0.00 0.00 72.50 70.39 1h29 s THR 423 CO 0.00 0.00 0.82 0.49 -0.69 0.00 0.00 174.62 175.24 1h29 n PHE 424 N -1.49 -0.26 -2.26 4.92 3.72 -1.08 -4.94 117.46 116.07 1h29 n PHE 424 Ca -0.09 0.28 -0.42 0.00 -0.05 0.00 0.00 57.45 57.16 1h29 n PHE 424 Cb 0.65 -1.87 -0.03 0.00 -0.94 0.00 0.00 39.48 37.30 1h29 n PHE 424 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1h29 s ASP 425 N -2.36 6.86 0.40 4.37 3.68 -1.26 -4.91 116.67 123.45 1h29 s ASP 425 Ca 0.63 1.99 0.22 0.00 2.13 0.00 0.00 52.55 57.52 1h29 s ASP 425 Cb -0.22 -2.55 1.23 0.00 -1.45 0.00 0.00 42.92 39.93 1h29 s ASP 425 CO 0.62 -0.76 1.69 -0.07 0.13 0.00 0.00 175.17 176.78 1h29 h LEU 426 N 9.11 0.38 0.00 -1.34 3.38 -1.95 0.29 115.31 125.18 1h29 h LEU 426 Ca -0.35 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1h29 h LEU 426 Cb 1.16 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1h29 h LEU 426 CO 0.93 -0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.98 1h29 n ASN 427 N -4.75 0.00 -1.62 -0.43 3.02 -1.26 -0.76 115.26 109.46 1h29 n ASN 427 Ca 0.32 -0.38 0.09 0.00 -0.03 0.00 0.00 54.58 54.58 1h29 n ASN 427 Cb 1.13 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 40.66 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 -0.98 4.91 -3.98 6.41 8.00 0.10 -4.90 116.55 126.11 1h29 n ASP 428 Ca 0.08 -2.54 -0.23 0.00 0.71 0.00 0.00 54.79 52.81 1h29 n ASP 428 Cb 0.04 -0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 40.38 1h29 n ASP 428 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h29 s ILE 429 N -2.01 0.95 0.02 0.53 -1.09 0.06 -5.03 121.20 114.63 1h29 s ILE 429 Ca 0.52 -0.37 -0.31 0.00 -2.23 0.00 0.00 60.65 58.25 1h29 s ILE 429 Cb 0.34 -0.89 -0.10 0.00 -1.58 0.00 0.00 42.46 40.24 1h29 s ILE 429 CO 0.23 0.31 1.93 -2.65 -1.23 0.00 0.00 174.94 173.53 1h29 n PRO 430 N 3.88 2.70 -0.20 2.79 -0.02 -1.26 -4.84 135.00 138.05 1h29 n PRO 430 Ca -0.24 0.99 -0.01 0.00 -2.02 0.00 0.00 63.50 62.22 1h29 n PRO 430 Cb 0.51 -2.91 0.10 0.00 -0.02 0.00 0.00 33.50 31.18 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 9.93 0.47 -4.95 -0.52 4.81 -1.96 -3.31 114.58 119.05 1h29 h GLU 431 Ca -0.49 -0.03 -0.46 0.00 -0.13 0.00 0.00 59.36 58.25 1h29 h GLU 431 Cb 1.24 -0.11 -0.30 0.00 0.63 0.00 0.00 28.75 30.22 1h29 h GLU 431 CO 0.94 0.31 -0.80 0.15 -0.73 0.00 0.00 179.01 178.88 1h29 s LYS 432 N -6.10 1.09 0.06 1.92 1.02 -1.26 -1.14 119.74 115.32 1h29 s LYS 432 Ca -0.13 -0.42 0.08 0.00 0.02 0.00 0.00 55.97 55.53 1h29 s LYS 432 Cb 0.16 -1.02 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 1h29 s LYS 432 CO 0.75 0.21 -0.20 0.08 -0.92 0.00 0.00 175.35 175.27 1h29 s VAL 433 N -0.08 2.66 -0.50 3.17 1.01 0.49 -4.87 120.40 122.28 1h29 s VAL 433 Ca 0.01 -1.30 -0.03 0.00 0.00 0.00 0.00 61.98 60.66 1h29 s VAL 433 Cb -0.07 -2.12 0.13 0.00 0.00 0.00 0.00 36.38 34.32 1h29 s VAL 433 CO 0.00 0.29 0.30 0.54 0.00 0.00 0.00 175.10 176.24 1h29 s VAL 434 N -0.94 3.48 -0.67 2.92 0.11 -1.26 -0.36 120.40 123.67 1h29 s VAL 434 Ca 0.15 -2.42 -0.22 0.00 -2.93 0.00 0.00 61.98 56.55 1h29 s VAL 434 Cb -0.10 -3.33 0.07 0.00 -1.53 0.00 0.00 36.38 31.48 1h29 s VAL 434 CO 0.05 -0.77 0.97 -0.63 -3.33 0.00 0.00 175.10 171.40 1h29 s ILE 435 N 0.65 4.34 0.00 7.04 1.01 -0.51 -4.74 121.20 128.99 1h29 s ILE 435 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1h29 s ILE 435 Cb -0.22 -4.69 0.00 0.00 0.01 0.00 0.00 42.46 37.56 1h29 s ILE 435 CO -0.04 -1.46 0.00 0.61 0.00 0.00 0.00 174.94 174.05 1h29 n GLY 436 N 5.34 0.45 0.62 6.18 0.00 -1.26 -1.00 105.19 115.52 1h29 n GLY 436 Ca -0.03 0.00 0.41 0.00 0.00 0.00 0.00 46.02 46.40 1h29 n GLY 436 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h29 n SER 437 N -0.70 0.00 -0.15 1.61 3.41 -1.26 -0.01 113.62 116.53 1h29 n SER 437 Ca 0.00 0.87 0.07 0.00 -0.26 0.00 0.00 58.87 59.56 1h29 n SER 437 Cb 0.00 -0.38 0.10 0.00 -0.26 0.00 0.00 64.21 63.68 1h29 n SER 437 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1h29 n ILE 438 N -3.57 1.46 -1.63 -1.33 -5.35 -1.26 -5.07 119.36 102.62 1h29 n ILE 438 Ca 0.34 -1.75 -0.48 0.00 -0.27 0.00 0.00 62.75 60.59 1h29 n ILE 438 Cb 1.78 -0.05 -0.04 0.00 -1.74 0.00 0.00 39.64 39.59 1h29 n ILE 438 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h29 n ALA 439 N -1.10 0.21 -0.35 -1.28 0.00 0.99 -4.79 120.51 114.19 1h29 n ALA 439 Ca 0.12 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1h29 n ALA 439 Cb 0.63 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1h29 n ALA 439 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h29 n LYS 440 N 2.31 0.00 0.24 0.00 4.81 -1.26 -4.93 118.16 119.33 1h29 n LYS 440 Ca 0.15 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.72 1h29 n LYS 440 Cb 0.27 0.00 0.32 0.00 0.02 0.00 0.00 35.03 35.64 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 -5.07 1.64 5.08 -1.99 -3.46 114.58 110.78 1h29 h GLU 441 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 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 0.00 -0.65 0.71 -1.00 0.00 0.00 179.01 178.07 1h29 s TYR 442 N -3.34 1.60 0.85 4.33 1.51 -1.26 -3.98 117.35 117.05 1h29 s TYR 442 Ca 0.05 -0.96 -0.12 0.00 -1.01 0.00 0.00 57.07 55.04 1h29 s TYR 442 Cb 0.06 -0.95 0.10 0.00 -0.11 0.00 0.00 41.96 41.06 1h29 s TYR 442 CO 0.63 -0.07 1.10 -0.65 -1.11 0.00 0.00 175.55 175.45 1h29 s GLN 443 N -3.89 1.67 0.57 -0.62 -0.21 -0.00 -4.71 119.66 112.47 1h29 s GLN 443 Ca 0.31 0.68 -0.20 0.00 0.02 0.00 0.00 55.36 56.16 1h29 s GLN 443 Cb 0.06 -1.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 1h29 s GLN 443 CO 0.10 -1.92 1.30 -2.14 -2.12 0.00 0.00 175.29 170.51 1h29 s PRO 444 N -5.08 3.02 0.33 2.91 0.02 -1.26 -4.47 135.00 130.47 1h29 s PRO 444 Ca 0.62 2.08 -0.26 0.00 0.02 0.00 0.00 61.00 63.46 1h29 s PRO 444 Cb -0.16 -2.11 -0.09 0.00 0.02 0.00 0.00 34.50 32.16 1h29 s PRO 444 CO 0.55 -1.24 1.02 0.45 -0.33 0.00 0.00 177.00 177.45 1h29 s SER 445 N -1.21 7.15 -0.74 2.53 0.15 -0.17 -4.70 113.70 116.72 1h29 s SER 445 Ca 0.75 2.02 -0.07 0.00 0.70 0.00 0.00 55.95 59.34 1h29 s SER 445 Cb -0.37 -2.60 0.19 0.00 -1.71 0.00 0.00 66.02 61.54 1h29 s SER 445 CO 0.42 -0.21 0.61 -1.61 1.20 0.00 0.00 173.24 173.64 1h29 s GLU 446 N -1.98 3.05 -0.31 5.44 2.02 -1.24 -1.42 118.70 124.25 1h29 s GLU 446 Ca 0.51 -2.59 -0.17 0.00 0.02 0.00 0.00 54.97 52.74 1h29 s GLU 446 Cb -0.24 -4.03 -0.02 0.00 0.10 0.00 0.00 34.13 29.95 1h29 s GLU 446 CO 0.30 -1.23 0.46 0.12 0.02 0.00 0.00 175.26 174.93 1h29 s PHE 447 N -0.13 3.21 -1.30 1.61 5.36 0.51 -4.93 117.98 122.32 1h29 s PHE 447 Ca 0.19 0.28 -0.17 0.00 -0.96 0.00 0.00 56.93 56.27 1h29 s PHE 447 Cb -0.15 -2.77 0.01 0.00 -0.34 0.00 0.00 43.02 39.76 1h29 s PHE 447 CO -0.06 -0.41 2.04 -0.35 -1.46 0.00 0.00 175.22 174.98 1h29 n PRO 448 N 5.56 2.65 -0.05 10.12 -0.04 -1.26 -0.37 135.00 151.60 1h29 n PRO 448 Ca -0.06 -2.64 -0.03 0.00 -0.04 0.00 0.00 63.50 60.73 1h29 n PRO 448 Cb 0.49 -3.31 -0.02 0.00 -0.04 0.00 0.00 33.50 30.62 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 6.91 -0.38 -0.34 0.54 2.76 -1.75 -1.89 115.15 121.00 1h29 h HIS 449 Ca 0.50 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.60 1h29 h HIS 449 Cb 0.72 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 1h29 h HIS 449 CO 1.40 -0.10 -0.13 -0.09 -1.30 0.00 0.00 177.93 177.71 1h29 h ARG 450 N -0.06 0.69 -0.73 5.26 2.43 -1.22 -2.14 114.38 118.60 1h29 h ARG 450 Ca 0.02 -0.29 0.09 0.00 -0.81 0.00 0.00 59.98 58.99 1h29 h ARG 450 Cb 0.12 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.53 1h29 h ARG 450 CO -0.15 0.88 -0.50 -0.22 -1.51 0.00 0.00 179.97 178.47 1h29 h LYS 451 N 0.46 -0.16 -0.67 0.20 3.64 -1.73 0.90 116.57 119.20 1h29 h LYS 451 Ca 0.08 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1h29 h LYS 451 Cb 0.66 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1h29 h LYS 451 CO 0.04 -0.10 0.44 0.82 -2.27 0.00 0.00 179.45 178.38 1h29 h ILE 452 N -0.16 1.18 -0.39 2.00 2.04 -0.99 -1.20 117.51 119.98 1h29 h ILE 452 Ca 0.18 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.75 1h29 h ILE 452 Cb 0.53 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1h29 h ILE 452 CO -0.79 0.17 0.17 0.58 0.00 0.00 0.00 178.15 178.28 1h29 h VAL 453 N 0.91 0.93 0.08 1.67 2.07 -0.91 -0.66 116.25 120.35 1h29 h VAL 453 Ca 0.25 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1h29 h VAL 453 Cb -0.10 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1h29 h VAL 453 CO -0.05 0.06 -0.29 0.50 0.02 0.00 0.00 177.57 177.81 1h29 h LYS 454 N 0.35 -0.47 -0.83 1.57 3.64 0.08 -0.81 116.57 120.09 1h29 h LYS 454 Ca 0.17 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.68 1h29 h LYS 454 Cb 0.12 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 1h29 h LYS 454 CO -0.15 -0.31 0.47 1.15 -2.27 0.00 0.00 179.45 178.34 1h29 h THR 455 N -0.49 0.91 0.01 1.00 2.02 -0.98 0.11 112.91 115.49 1h29 h THR 455 Ca 0.04 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1h29 h THR 455 Cb 0.54 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1h29 h THR 455 CO -0.20 0.14 -0.02 -0.07 0.37 0.00 0.00 175.52 175.75 1h29 h LEU 456 N 0.79 -0.06 -0.66 2.58 3.38 -0.36 0.17 115.31 121.15 1h29 h LEU 456 Ca 0.40 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.43 1h29 h LEU 456 Cb 0.37 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1h29 h LEU 456 CO -0.25 -0.03 0.37 0.40 0.09 0.00 0.00 178.44 179.02 1h29 h ILE 457 N -0.04 0.97 -0.45 1.22 2.04 -0.54 -1.85 117.51 118.86 1h29 h ILE 457 Ca 0.01 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1h29 h ILE 457 Cb 0.05 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 1h29 h ILE 457 CO -0.02 0.13 0.25 0.00 0.00 0.00 0.00 178.15 178.51 1h29 h ALA 458 N 1.34 0.57 -0.69 1.87 0.00 -0.30 -1.49 119.26 120.57 1h29 h ALA 458 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1h29 h ALA 458 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1h29 h ALA 458 CO -0.18 -0.08 0.28 0.78 0.00 0.00 0.00 179.25 180.05 1h29 h GLY 459 N 0.50 1.08 1.03 0.00 0.00 -0.12 -1.82 103.07 103.73 1h29 h GLY 459 Ca 0.19 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1h29 h GLY 459 CO -0.11 0.53 0.17 -2.22 0.00 0.00 0.00 176.54 174.92 1h29 h ILE 460 N 0.99 1.25 -0.28 2.60 2.04 -1.02 -3.49 117.51 119.60 1h29 h ILE 460 Ca 0.23 -0.91 -0.24 0.00 1.00 0.00 0.00 64.86 64.95 1h29 h ILE 460 Cb 0.18 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1h29 h ILE 460 CO -0.02 0.35 0.15 0.61 0.00 0.00 0.00 178.15 179.23 1h29 n GLY 461 N -0.68 0.02 1.70 5.37 0.00 -0.59 -2.57 105.19 108.44 1h29 n GLY 461 Ca 0.04 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.94 0.00 -1.66 1.61 1.02 -1.26 -5.02 120.64 116.26 1h29 n GLU 462 Ca 0.08 0.00 -0.52 0.00 -0.02 0.00 0.00 57.16 56.70 1h29 n GLU 462 Cb -0.01 -0.32 -0.06 0.00 -0.02 0.00 0.00 31.44 31.03 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 0.10 2.54 0.12 1.62 2.03 -1.06 -4.90 116.55 117.00 1h29 n ASP 463 Ca 0.00 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1h29 n ASP 463 Cb 0.00 -1.25 -0.00 0.00 -0.72 0.00 0.00 41.12 39.14 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 6.71 0.00 0.09 -0.67 1.57 -1.95 -2.55 116.57 119.78 1h29 h LYS 464 Ca -0.47 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1h29 h LYS 464 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1h29 h LYS 464 CO 0.90 0.62 -0.04 -0.07 -0.57 0.00 0.00 179.45 180.28 1h29 h LEU 465 N 0.00 -0.11 -0.18 2.94 3.38 -1.99 -2.41 115.31 116.94 1h29 h LEU 465 Ca -0.01 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1h29 h LEU 465 Cb 1.47 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 1h29 h LEU 465 CO 0.08 0.16 -0.04 0.00 0.09 0.00 0.00 178.44 178.74 1h29 h ALA 466 N 0.50 0.12 -0.84 1.53 0.00 -1.96 0.46 119.26 119.07 1h29 h ALA 466 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h29 h ALA 466 Cb 0.32 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1h29 h ALA 466 CO 0.02 -0.47 0.54 0.00 0.00 0.00 0.00 179.25 179.34 1h29 h ALA 467 N 1.17 1.37 0.22 0.00 0.00 -1.46 -1.30 119.26 119.27 1h29 h ALA 467 Ca 0.09 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 1h29 h ALA 467 Cb 0.13 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 17.60 1h29 h ALA 467 CO -0.18 0.57 -1.57 1.15 0.00 0.00 0.00 179.25 179.22 1h29 h THR 468 N 1.14 1.16 0.00 0.00 2.02 -1.18 -3.40 112.91 112.65 1h29 h THR 468 Ca 0.30 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1h29 h THR 468 Cb -0.10 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1h29 h THR 468 CO -0.06 0.83 -1.47 0.49 0.37 0.00 0.00 175.52 175.68 1h29 n PHE 469 N -3.65 0.41 -1.57 3.16 3.01 0.13 -4.28 117.46 114.67 1h29 n PHE 469 Ca -0.19 0.12 -0.41 0.00 1.01 0.00 0.00 57.45 57.98 1h29 n PHE 469 Cb 1.09 -0.66 -0.04 0.00 -0.01 0.00 0.00 39.48 39.86 1h29 n PHE 469 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1h29 n HIS 470 N -2.37 2.71 0.60 1.38 8.25 -0.50 -4.81 115.22 120.49 1h29 n HIS 470 Ca -0.02 -2.18 0.09 0.00 -0.26 0.00 0.00 57.72 55.35 1h29 n HIS 470 Cb 0.54 -2.16 0.39 0.00 1.12 0.00 0.00 29.99 29.88 1h29 n HIS 470 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1h29 n ILE 471 N 6.04 0.77 -4.47 1.59 -5.35 -1.26 -4.55 119.36 112.12 1h29 n ILE 471 Ca 0.50 0.19 -0.23 0.00 -0.27 0.00 0.00 62.75 62.93 1h29 n ILE 471 Cb 0.41 -0.89 -0.10 0.00 -1.74 0.00 0.00 39.64 37.32 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 -3.02 1.65 0.49 6.28 2.02 -1.26 -4.80 118.70 120.07 1h29 s GLU 472 Ca 0.08 -1.80 0.32 0.00 0.02 0.00 0.00 54.97 53.60 1h29 s GLU 472 Cb 0.12 -1.58 1.39 0.00 0.10 0.00 0.00 34.13 34.15 1h29 s GLU 472 CO 0.34 0.22 1.96 0.87 0.02 0.00 0.00 175.26 178.66 1h29 h LYS 473 N 2.24 0.00 -0.06 1.61 1.57 -1.86 -3.05 116.57 117.02 1h29 h LYS 473 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1h29 h LYS 473 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1h29 h LYS 473 CO 0.64 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 1h29 n GLY 474 N -0.13 0.04 0.25 3.86 0.00 -1.26 -2.63 105.19 105.32 1h29 n GLY 474 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 2.02 0.40 -0.88 2.61 2.02 -1.87 0.80 112.91 118.00 1h29 h THR 475 Ca 0.00 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.36 1h29 h THR 475 Cb 0.47 0.40 -0.11 0.00 -1.74 0.00 0.00 68.15 67.18 1h29 h THR 475 CO 0.00 0.00 0.43 -0.07 0.37 0.00 0.00 175.52 176.25 1h29 h LEU 476 N -0.08 0.47 -1.65 2.58 3.38 -1.82 0.57 115.31 118.75 1h29 h LEU 476 Ca 0.23 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.35 1h29 h LEU 476 Cb 0.43 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1h29 h LEU 476 CO -0.54 0.13 0.28 0.00 0.09 0.00 0.00 178.44 178.39 1h29 n GLN 478 N -4.48 0.06 -0.07 0.00 6.02 0.19 -0.89 117.38 118.20 1h29 n GLN 478 Ca 0.04 0.25 0.15 0.00 -0.01 0.00 0.00 57.00 57.43 1h29 n GLN 478 Cb 0.14 -1.50 0.55 0.00 1.02 0.00 0.00 30.24 30.45 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 2.05 0.46 0.00 1.08 0.00 -1.14 -3.24 103.07 102.28 1h29 h GLY 479 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1h29 h GLY 479 CO 0.00 0.06 -1.11 0.00 0.00 0.00 0.00 176.54 175.49 1h29 n HIS 481 N -2.70 2.03 -1.93 0.00 -0.00 -0.07 -4.95 115.22 107.60 1h29 n HIS 481 Ca -0.04 -2.45 -0.30 0.00 -0.00 0.00 0.00 57.72 54.94 1h29 n HIS 481 Cb 0.53 -2.06 0.05 0.00 -0.00 0.00 0.00 29.99 28.52 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 3.14 3.23 -1.63 4.41 0.00 -1.22 -4.20 115.29 119.02 1h29 s HIS 482 Ca 0.53 0.94 0.00 0.00 -3.00 0.00 0.00 55.06 53.53 1h29 s HIS 482 Cb 0.14 -3.14 0.00 0.00 -4.00 0.00 0.00 32.58 25.57 1h29 s HIS 482 CO -0.03 -1.29 0.00 0.09 -1.00 0.00 0.00 174.74 172.51 1h29 n ASN 483 N -3.04 -5.25 -3.79 7.38 3.02 -1.26 -4.96 115.26 107.36 1h29 n ASN 483 Ca 0.07 0.09 -0.13 0.00 -0.03 0.00 0.00 54.58 54.58 1h29 n ASN 483 Cb 0.58 -4.32 -0.10 0.00 -0.61 0.00 0.00 39.78 35.33 1h29 n ASN 483 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1h29 s SER 484 N -2.32 -0.20 0.49 6.41 0.01 -1.26 -5.14 113.70 111.68 1h29 s SER 484 Ca 0.00 0.27 -0.23 0.00 1.31 0.00 0.00 55.95 57.30 1h29 s SER 484 Cb 0.00 0.42 -0.08 0.00 0.21 0.00 0.00 66.02 66.57 1h29 s SER 484 CO 0.00 -0.25 1.18 -2.65 0.41 0.00 0.00 173.24 171.92 1h29 n PRO 485 N 2.15 1.55 -1.98 12.44 -0.02 -1.26 -4.87 135.00 143.01 1h29 n PRO 485 Ca -0.17 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 1h29 n PRO 485 Cb 0.57 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.30 3.25 0.26 3.55 0.00 -1.26 -4.94 121.76 121.32 1h29 s ALA 486 Ca 0.67 0.64 -0.18 0.00 0.00 0.00 0.00 51.96 53.09 1h29 s ALA 486 Cb -0.48 -3.88 0.01 0.00 0.00 0.00 0.00 23.12 18.78 1h29 s ALA 486 CO 0.54 -2.00 0.62 -1.54 0.00 0.00 0.00 175.76 173.38 1h29 s SER 487 N 4.79 -0.21 0.41 0.00 1.04 -1.26 -4.75 113.70 113.71 1h29 s SER 487 Ca 0.78 -0.69 0.22 0.00 0.48 0.00 0.00 55.95 56.74 1h29 s SER 487 Cb -0.29 0.67 0.59 0.00 0.10 0.00 0.00 66.02 67.09 1h29 s SER 487 CO 0.32 -1.25 1.69 -0.07 0.98 0.00 0.00 173.24 174.91 1h29 h LEU 488 N 2.10 0.00 -6.55 2.42 3.38 -1.96 -3.39 115.31 111.31 1h29 h LEU 488 Ca -0.23 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.14 1h29 h LEU 488 Cb 1.25 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.59 1h29 h LEU 488 CO 0.29 0.22 -0.64 0.35 0.09 0.00 0.00 178.44 178.75 1h29 n THR 489 N -3.24 1.66 -2.13 0.22 -2.24 -1.26 -5.00 114.28 102.29 1h29 n THR 489 Ca 0.02 -4.90 -0.36 0.00 -2.27 0.00 0.00 64.05 56.54 1h29 n THR 489 Cb 0.53 -2.10 0.01 0.00 -2.10 0.00 0.00 70.33 66.67 1h29 n THR 489 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1h29 s PRO 490 N -1.84 3.36 0.73 -0.78 0.02 -1.26 -5.03 135.00 130.20 1h29 s PRO 490 Ca 0.33 1.80 -0.12 0.00 0.02 0.00 0.00 61.00 63.04 1h29 s PRO 490 Cb 0.07 -2.15 0.03 0.00 0.02 0.00 0.00 34.50 32.47 1h29 s PRO 490 CO -0.09 -0.88 1.09 -1.25 -0.33 0.00 0.00 177.00 175.53 1h29 s PRO 491 N -3.05 2.53 0.69 5.54 0.04 -1.26 -5.03 135.00 134.46 1h29 s PRO 491 Ca 0.71 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 1h29 s PRO 491 Cb -0.29 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1h29 s PRO 491 CO 0.34 -1.44 1.14 0.15 0.04 0.00 0.00 177.00 177.23 1h29 s LYS 492 N -4.72 2.54 0.28 4.56 1.02 -1.26 -4.93 119.74 117.24 1h29 s LYS 492 Ca 0.62 1.48 0.00 0.00 0.02 0.00 0.00 55.97 58.09 1h29 s LYS 492 Cb -0.17 -1.91 0.50 0.00 -0.52 0.00 0.00 37.83 35.73 1h29 s LYS 492 CO 0.52 -1.47 1.88 0.00 -0.92 0.00 0.00 175.35 175.36 1h29 n ALA 494 N -2.37 1.85 1.33 0.00 0.00 -1.26 -0.71 120.51 119.34 1h29 n ALA 494 Ca 0.16 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.67 1h29 n ALA 494 Cb 0.25 -1.21 0.72 0.00 0.00 0.00 0.00 19.45 19.21 1h29 n ALA 494 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1h29 n SER 495 N -1.18 0.00 0.00 0.00 3.41 -0.58 -4.20 113.62 111.08 1h29 n SER 495 Ca 0.08 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1h29 n SER 495 Cb 0.08 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1h29 n SER 495 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h29 s HIS 497 N -0.72 3.06 0.00 0.00 3.76 0.11 -4.94 115.29 116.56 1h29 s HIS 497 Ca 0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1h29 s HIS 497 Cb 0.00 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.82 1h29 s HIS 497 CO 0.00 0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 1h29 n GLY 498 N 2.88 -2.38 0.00 -2.22 0.00 -1.26 -4.29 105.19 97.92 1h29 n GLY 498 Ca -0.18 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1h29 n GLY 498 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1h29 n LYS 499 N 0.32 0.00 0.00 1.61 2.85 -1.26 -4.90 118.16 116.78 1h29 n LYS 499 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1h29 n LYS 499 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1h29 n LYS 499 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1h29 n ARG 505 N 0.00 0.00 0.00 -1.58 0.63 -1.26 -5.23 116.66 109.22 1h29 n ARG 505 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1h29 n ARG 505 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1h29 n ARG 505 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1h29 n GLY 506 N 0.61 1.33 0.14 5.14 0.00 -1.26 -4.34 105.19 106.81 1h29 n GLY 506 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1h29 n GLY 506 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1h29 h ASP 507 N 0.11 0.00 -4.46 1.61 3.04 -2.08 -3.45 116.42 111.20 1h29 h ASP 507 Ca 0.00 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.44 1h29 h ASP 507 Cb 0.44 0.00 -0.20 0.00 -1.04 0.00 0.00 39.33 38.54 1h29 h ASP 507 CO 0.00 0.00 -0.75 0.00 -2.04 0.00 0.00 179.24 176.45 1h29 s ARG 508 N -3.30 0.79 0.78 4.15 1.70 -1.26 -5.15 118.95 116.67 1h29 s ARG 508 Ca 0.06 -1.02 -0.13 0.00 -0.47 0.00 0.00 55.73 54.16 1h29 s ARG 508 Cb 0.10 -0.63 0.07 0.00 -0.57 0.00 0.00 34.95 33.92 1h29 s ARG 508 CO 0.46 0.12 1.16 -1.25 -1.08 0.00 0.00 175.30 174.71 1h29 s PRO 509 N -2.19 1.94 1.00 3.89 0.04 -1.26 -4.95 135.00 133.46 1h29 s PRO 509 Ca 0.00 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 1h29 s PRO 509 Cb -0.07 -1.83 0.25 0.00 0.04 0.00 0.00 34.50 32.89 1h29 s PRO 509 CO 0.01 -1.94 0.73 0.41 0.04 0.00 0.00 177.00 176.25 1h29 n GLY 510 N -0.05 -3.29 0.24 0.56 0.00 -1.26 -4.20 105.19 97.20 1h29 n GLY 510 Ca 0.12 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 1h29 n GLY 510 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1h29 h LEU 511 N 0.00 -0.46 -0.03 0.99 6.46 -1.91 -1.13 115.31 119.23 1h29 h LEU 511 Ca -0.30 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.39 1h29 h LEU 511 Cb 0.95 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.95 1h29 h LEU 511 CO 0.19 -0.13 -0.38 0.50 -0.62 0.00 0.00 178.44 178.00 1h29 h LYS 512 N -0.82 -0.49 -0.83 1.25 3.64 -1.96 -1.77 116.57 115.58 1h29 h LYS 512 Ca -0.06 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.48 1h29 h LYS 512 Cb 0.54 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.39 1h29 h LYS 512 CO 0.09 -0.33 0.45 0.00 -2.27 0.00 0.00 179.45 177.39 1h29 h ALA 513 N 0.13 1.23 -0.26 5.00 0.00 -1.94 -1.16 119.26 122.26 1h29 h ALA 513 Ca 0.06 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1h29 h ALA 513 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1h29 h ALA 513 CO -0.31 -0.01 -0.19 0.00 0.00 0.00 0.00 179.25 178.74 1h29 h ALA 514 N 1.51 1.19 -0.00 0.00 0.00 -0.57 0.30 119.26 121.69 1h29 h ALA 514 Ca 0.43 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1h29 h ALA 514 Cb 0.52 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1h29 h ALA 514 CO -0.31 0.52 -0.00 1.88 0.00 0.00 0.00 179.25 181.34 1h29 h TYR 515 N 0.42 0.00 -0.49 0.00 0.99 -0.70 -1.93 116.97 115.25 1h29 h TYR 515 Ca 0.07 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1h29 h TYR 515 Cb 0.58 -0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.28 1h29 h TYR 515 CO 0.02 0.52 0.29 0.45 -0.00 0.00 0.00 178.16 179.44 1h29 h HIS 516 N -0.52 0.66 -0.38 4.88 3.86 -1.03 0.14 115.15 122.75 1h29 h HIS 516 Ca 0.00 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1h29 h HIS 516 Cb 0.52 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1h29 h HIS 516 CO 0.11 0.47 0.11 0.37 0.86 0.00 0.00 177.93 179.85 1h29 h GLN 517 N 0.66 0.60 0.16 2.45 4.15 -0.49 0.20 115.11 122.84 1h29 h GLN 517 Ca 0.18 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1h29 h GLN 517 Cb 0.01 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1h29 h GLN 517 CO -0.03 0.61 -0.08 0.37 -1.93 0.00 0.00 178.83 177.78 1h29 h GLN 518 N 0.47 -0.20 0.36 1.69 4.15 -1.12 -1.18 115.11 119.28 1h29 h GLN 518 Ca 0.12 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1h29 h GLN 518 Cb 0.27 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1h29 h GLN 518 CO -0.00 0.20 -0.37 0.00 -1.93 0.00 0.00 178.83 176.73 1h29 h MET 520 N -0.73 0.14 -0.15 0.00 2.86 -1.08 -2.76 114.93 113.21 1h29 h MET 520 Ca -0.05 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1h29 h MET 520 Cb 0.64 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1h29 h MET 520 CO -0.05 0.29 -0.38 0.78 1.06 0.00 0.00 176.91 178.61 1h29 h GLY 521 N 0.65 0.57 0.96 8.32 0.00 -1.15 -1.10 103.07 111.32 1h29 h GLY 521 Ca 0.03 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1h29 h GLY 521 CO 0.02 0.64 0.06 0.00 0.00 0.00 0.00 176.54 177.26 1h29 h HIS 523 N 0.10 0.54 0.11 0.00 3.86 -1.36 0.18 115.15 118.58 1h29 h HIS 523 Ca 0.04 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1h29 h HIS 523 Cb 0.04 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1h29 h HIS 523 CO -0.06 0.26 -0.05 -0.44 0.86 0.00 0.00 177.93 178.50 1h29 h ASP 524 N 0.51 -0.12 -0.66 2.45 3.32 -0.98 0.88 116.42 121.82 1h29 h ASP 524 Ca 0.31 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1h29 h ASP 524 Cb 0.51 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1h29 h ASP 524 CO -0.10 0.24 0.18 0.03 -1.72 0.00 0.00 179.24 177.88 1h29 h ARG 525 N -0.50 1.06 -0.01 3.56 3.08 -0.19 -2.62 114.38 118.77 1h29 h ARG 525 Ca -0.01 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1h29 h ARG 525 Cb 0.41 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1h29 h ARG 525 CO 0.02 0.93 -0.05 -1.33 -1.07 0.00 0.00 179.97 178.48 1h29 n MET 526 N -4.25 1.12 -3.59 0.04 2.81 0.52 -4.51 117.12 109.26 1h29 n MET 526 Ca 0.05 -0.42 -0.24 0.00 -1.81 0.00 0.00 57.70 55.28 1h29 n MET 526 Cb 0.24 -1.49 0.08 0.00 -0.71 0.00 0.00 33.22 31.34 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 -0.57 -7.90 -2.81 0.03 5.02 -0.99 -4.90 118.16 106.05 1h29 n LYS 527 Ca 0.19 0.83 -0.43 0.00 -2.02 0.00 0.00 58.31 56.88 1h29 n LYS 527 Cb 0.26 -5.88 -0.04 0.00 -0.02 0.00 0.00 35.03 29.34 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 -3.32 4.30 -1.32 -0.18 -1.09 0.27 -4.84 121.20 115.01 1h29 s ILE 528 Ca 0.56 0.13 0.30 0.00 -2.23 0.00 0.00 60.65 59.40 1h29 s ILE 528 Cb -0.25 -4.62 0.42 0.00 -1.58 0.00 0.00 42.46 36.43 1h29 s ILE 528 CO 0.73 -1.29 1.97 -1.84 -1.23 0.00 0.00 174.94 173.28 1h29 n GLU 529 N 7.74 0.33 0.00 2.79 0.28 -1.26 -4.67 120.64 125.84 1h29 n GLU 529 Ca 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1h29 n GLU 529 Cb 0.47 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.84 1h29 n GLU 529 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1h29 n LYS 530 N -1.31 0.00 -3.14 3.44 4.01 -1.26 -3.08 118.16 116.81 1h29 n LYS 530 Ca 0.12 0.33 -0.39 0.00 -0.51 0.00 0.00 58.31 57.86 1h29 n LYS 530 Cb 0.28 -0.74 -0.05 0.00 -0.51 0.00 0.00 35.03 34.00 1h29 n LYS 530 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1h29 s PRO 531 N -0.80 4.33 0.36 1.97 0.04 -1.26 -5.09 135.00 134.55 1h29 s PRO 531 Ca 0.00 0.67 -0.25 0.00 0.04 0.00 0.00 61.00 61.46 1h29 s PRO 531 Cb 0.00 -3.49 -0.10 0.00 0.04 0.00 0.00 34.50 30.95 1h29 s PRO 531 CO 0.00 -0.03 0.98 0.00 0.04 0.00 0.00 177.00 177.99 1h29 s ALA 532 N 1.17 3.14 -1.26 8.56 0.00 -1.18 -4.91 121.76 127.29 1h29 s ALA 532 Ca 0.31 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.90 1h29 s ALA 532 Cb -0.16 -3.20 0.36 0.00 0.00 0.00 0.00 23.12 20.12 1h29 s ALA 532 CO 0.13 0.06 1.16 0.09 0.00 0.00 0.00 175.76 177.20 1h29 n ASN 533 N 0.16 0.00 -0.00 0.00 3.02 -1.26 -1.72 115.26 115.46 1h29 n ASN 533 Ca 0.04 0.30 0.08 0.00 -0.03 0.00 0.00 54.58 54.97 1h29 n ASN 533 Cb 0.51 -0.37 -0.11 0.00 -0.61 0.00 0.00 39.78 39.20 1h29 n ASN 533 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1h29 n THR 534 N -1.37 0.00 -3.36 3.41 5.66 -1.26 -4.73 114.28 112.63 1h29 n THR 534 Ca 0.03 -0.22 -0.46 0.00 -3.05 0.00 0.00 64.05 60.35 1h29 n THR 534 Cb 0.07 0.64 -0.02 0.00 -1.55 0.00 0.00 70.33 69.47 1h29 n THR 534 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1h29 s ALA 535 N -2.81 4.17 0.41 1.79 0.00 -0.70 -4.90 121.76 119.73 1h29 s ALA 535 Ca 0.01 -3.42 0.07 0.00 0.00 0.00 0.00 51.96 48.62 1h29 s ALA 535 Cb 0.12 -3.46 0.85 0.00 0.00 0.00 0.00 23.12 20.62 1h29 s ALA 535 CO 0.69 -2.25 2.03 0.00 0.00 0.00 0.00 175.76 176.23 1h29 h VAL 537 N 0.49 0.52 0.00 0.00 2.07 -1.91 -3.20 116.25 114.23 1h29 h VAL 537 Ca 0.13 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1h29 h VAL 537 Cb 0.02 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1h29 h VAL 537 CO -0.02 0.23 0.00 0.47 0.02 0.00 0.00 177.57 178.27 1h29 n ASP 538 N -3.32 0.09 -0.03 0.57 9.92 -0.78 -2.74 116.55 120.25 1h29 n ASP 538 Ca 0.01 0.52 -0.04 0.00 -0.53 0.00 0.00 54.79 54.74 1h29 n ASP 538 Cb 0.48 -0.54 -0.04 0.00 -0.64 0.00 0.00 41.12 40.38 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 -2.15 -0.61 0.68 0.00 0.00 -1.11 -3.71 115.29 108.39 1h29 s HIS 540 Ca -0.06 1.25 -0.12 0.00 -3.00 0.00 0.00 55.06 53.12 1h29 s HIS 540 Cb 0.02 0.14 0.00 0.00 -4.00 0.00 0.00 32.58 28.75 1h29 s HIS 540 CO 0.22 -0.41 1.06 0.15 -1.00 0.00 0.00 174.74 174.76 1h29 s LYS 541 N 2.44 2.96 0.82 -0.38 1.02 -1.23 -3.99 119.74 121.38 1h29 s LYS 541 Ca -0.01 1.04 -0.13 0.00 0.02 0.00 0.00 55.97 56.88 1h29 s LYS 541 Cb -0.12 -1.99 0.07 0.00 -0.52 0.00 0.00 37.83 35.28 1h29 s LYS 541 CO -0.11 -1.09 1.10 0.39 -0.92 0.00 0.00 175.35 174.72 1h29 n GLU 542 N -2.92 0.12 0.00 1.68 1.02 -1.26 -0.82 120.64 118.46 1h29 n GLU 542 Ca 0.08 0.11 0.10 0.00 -0.02 0.00 0.00 57.16 57.43 1h29 n GLU 542 Cb 0.53 -2.35 0.58 0.00 -0.02 0.00 0.00 31.44 30.18 1h29 n GLU 542 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18