#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3af5 n GLN 10 N 0.00 2.88 0.05 1.09 10.64 -0.23 -4.75 117.38 127.06 3af5 n GLN 10 Ca 0.00 -3.53 -0.12 0.00 -1.83 0.00 0.00 57.00 51.51 3af5 n GLN 10 Cb 0.00 -2.24 -0.07 0.00 -0.86 0.00 0.00 30.24 27.07 3af5 n GLN 10 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 3af5 h VAL 11 N 1.36 0.97 0.00 -0.39 3.04 -1.69 -2.81 116.25 116.73 3af5 h VAL 11 Ca 0.51 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.20 3af5 h VAL 11 Cb 1.23 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3af5 h VAL 11 CO 1.22 0.00 0.00 -2.24 -1.01 0.00 0.00 177.57 175.54 3af5 h ASP 12 N -0.04 0.00 1.48 3.17 -0.00 -1.89 0.50 116.42 119.64 3af5 h ASP 12 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 56.93 3af5 h ASP 12 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.35 3af5 h ASP 12 CO 0.01 0.00 -0.53 -0.61 -0.00 0.00 0.00 179.24 178.10 3af5 h GLN 13 N 0.00 0.00 0.15 4.15 4.15 -1.87 -1.41 115.11 120.27 3af5 h GLN 13 Ca 0.00 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.18 3af5 h GLN 13 Cb 0.29 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.00 3af5 h GLN 13 CO 0.00 0.40 -1.13 0.82 -1.93 0.00 0.00 178.83 176.99 3af5 h ILE 14 N 0.00 1.30 0.00 2.39 2.04 -1.01 -3.22 117.51 119.00 3af5 h ILE 14 Ca -0.02 -2.51 -0.04 0.00 1.00 0.00 0.00 64.86 63.30 3af5 h ILE 14 Cb 1.34 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 40.41 3af5 h ILE 14 CO 0.05 0.73 -0.17 -0.07 0.00 0.00 0.00 178.15 178.69 3af5 h LEU 15 N -0.28 0.00 -0.35 1.44 3.38 -0.98 -2.27 115.31 116.24 3af5 h LEU 15 Ca -0.22 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3af5 h LEU 15 Cb 1.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 3af5 h LEU 15 CO 0.13 0.17 -0.13 -0.09 0.09 0.00 0.00 178.44 178.61 3af5 h ARG 16 N 0.00 0.70 0.00 1.13 2.43 -1.32 -0.67 114.38 116.66 3af5 h ARG 16 Ca -0.00 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 58.80 3af5 h ARG 16 Cb 0.33 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3af5 h ARG 16 CO 0.02 0.88 -0.37 -0.44 -1.51 0.00 0.00 179.97 178.55 3af5 h ASP 17 N 0.49 0.00 -0.01 -3.80 3.45 -1.47 -2.89 116.42 112.19 3af5 h ASP 17 Ca 0.08 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 3af5 h ASP 17 Cb 0.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3af5 h ASP 17 CO 0.04 0.37 -0.07 0.40 -1.57 0.00 0.00 179.24 178.42 3af5 h ILE 18 N 0.00 1.56 0.00 0.35 1.08 -1.26 -3.05 117.51 116.20 3af5 h ILE 18 Ca -0.00 -1.75 0.00 0.00 -0.39 0.00 0.00 64.86 62.71 3af5 h ILE 18 Cb 0.86 2.72 0.00 0.00 -3.07 0.00 0.00 36.82 37.33 3af5 h ILE 18 CO 0.05 0.46 0.03 0.54 -0.69 0.00 0.00 178.15 178.55 3af5 n ARG 19 N -4.67 0.07 -0.09 2.37 1.74 -0.27 -0.99 116.66 114.81 3af5 n ARG 19 Ca -0.09 0.55 -0.17 0.00 -0.77 0.00 0.00 57.85 57.37 3af5 n ARG 19 Cb 0.40 -1.76 -0.11 0.00 -1.02 0.00 0.00 32.46 29.97 3af5 n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3af5 h ALA 20 N 1.89 0.14 0.00 7.54 0.00 -1.42 -3.11 119.26 124.30 3af5 h ALA 20 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 54.91 53.95 3af5 h ALA 20 Cb 0.07 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3af5 h ALA 20 CO 0.00 0.42 -0.49 -0.24 0.00 0.00 0.00 179.25 178.94 3af5 h VAL 21 N -1.00 1.18 -0.06 0.00 3.04 -1.30 -3.01 116.25 115.11 3af5 h VAL 21 Ca -0.19 -1.79 -0.20 0.00 -1.01 0.00 0.00 66.70 63.51 3af5 h VAL 21 Cb 1.07 2.01 -0.00 0.00 -2.01 0.00 0.00 31.29 32.36 3af5 h VAL 21 CO -0.11 0.48 -0.80 1.62 -1.01 0.00 0.00 177.57 177.74 3af5 h VAL 22 N 0.00 1.38 -0.37 1.51 3.04 -1.24 -2.08 116.25 118.50 3af5 h VAL 22 Ca -0.00 -2.24 -0.19 0.00 -1.01 0.00 0.00 66.70 63.26 3af5 h VAL 22 Cb 0.97 2.21 -0.11 0.00 -2.01 0.00 0.00 31.29 32.35 3af5 h VAL 22 CO 0.06 0.67 0.24 0.59 -1.01 0.00 0.00 177.57 178.13 3af5 n ASN 23 N -3.81 3.26 0.00 3.17 3.02 -1.14 -1.79 115.26 117.97 3af5 n ASN 23 Ca -0.05 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 3af5 n ASN 23 Cb 0.75 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3af5 n ASN 23 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3af5 n GLN 24 N -0.11 1.63 0.00 3.52 -0.06 -0.97 -4.80 117.38 116.59 3af5 n GLN 24 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.22 3af5 n GLN 24 Cb 0.93 -0.15 0.00 0.00 -4.06 0.00 0.00 30.24 26.97 3af5 n GLN 24 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 3af5 n MET 25 N -0.08 -0.71 -4.77 3.69 2.81 -0.82 -5.04 117.12 112.21 3af5 n MET 25 Ca 0.00 -0.42 -0.33 0.00 -1.81 0.00 0.00 57.70 55.14 3af5 n MET 25 Cb 0.00 -0.89 -0.14 0.00 -0.71 0.00 0.00 33.22 31.48 3af5 n MET 25 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3af5 s VAL 26 N -0.02 3.18 -0.38 2.03 1.01 -0.74 -5.05 120.40 120.44 3af5 s VAL 26 Ca 0.00 -0.64 -0.38 0.00 0.00 0.00 0.00 61.98 60.96 3af5 s VAL 26 Cb 0.00 -2.31 -0.14 0.00 0.00 0.00 0.00 36.38 33.94 3af5 s VAL 26 CO 0.00 0.55 2.12 -2.65 0.00 0.00 0.00 175.10 175.12 3af5 n PRO 27 N 3.03 0.83 0.00 2.72 -0.02 -1.26 -4.78 135.00 135.53 3af5 n PRO 27 Ca -0.18 0.24 0.02 0.00 -2.02 0.00 0.00 63.50 61.56 3af5 n PRO 27 Cb 0.53 -2.19 0.08 0.00 -0.02 0.00 0.00 33.50 31.90 3af5 n PRO 27 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3af5 n LYS 28 N 7.68 0.02 0.09 -0.52 5.02 -1.26 0.14 118.16 129.33 3af5 n LYS 28 Ca 0.43 0.35 -0.01 0.00 -2.02 0.00 0.00 58.31 57.06 3af5 n LYS 28 Cb 0.15 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 3af5 n LYS 28 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3af5 h GLU 29 N 0.00 0.00 -5.81 1.97 3.07 -2.03 -3.39 114.58 108.38 3af5 h GLU 29 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 3af5 h GLU 29 Cb 0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.89 3af5 h GLU 29 CO 0.00 0.55 1.49 0.00 -1.40 0.00 0.00 179.01 179.64 3af5 s ALA 30 N -2.88 2.50 -0.57 3.43 0.00 0.38 -4.89 121.76 119.73 3af5 s ALA 30 Ca 0.01 -2.31 -0.13 0.00 0.00 0.00 0.00 51.96 49.54 3af5 s ALA 30 Cb 0.08 -4.61 -0.14 0.00 0.00 0.00 0.00 23.12 18.46 3af5 s ALA 30 CO 0.78 -4.11 1.67 1.63 0.00 0.00 0.00 175.76 175.73 3af5 n LYS 31 N 8.59 0.09 -1.96 0.00 4.76 -1.26 -4.85 118.16 123.52 3af5 n LYS 31 Ca 0.42 -0.65 -0.42 0.00 -2.87 0.00 0.00 58.31 54.78 3af5 n LYS 31 Cb 0.48 -2.26 -0.03 0.00 -1.84 0.00 0.00 35.03 31.38 3af5 n LYS 31 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3af5 s ILE 32 N 7.34 3.40 -0.11 -0.18 1.01 -1.26 -2.30 121.20 129.09 3af5 s ILE 32 Ca 0.54 0.59 0.21 0.00 0.00 0.00 0.00 60.65 61.98 3af5 s ILE 32 Cb -0.14 -3.38 -0.24 0.00 0.01 0.00 0.00 42.46 38.71 3af5 s ILE 32 CO 0.15 -0.04 0.55 0.35 0.00 0.00 0.00 174.94 175.95 3af5 n THR 33 N 5.28 0.53 -3.55 2.92 -2.24 -0.01 -4.97 114.28 112.25 3af5 n THR 33 Ca 0.17 -0.60 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3af5 n THR 33 Cb 0.42 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 3af5 n THR 33 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3af5 s GLU 34 N -3.22 0.67 -0.08 -0.78 2.12 -1.19 -5.00 118.70 111.21 3af5 s GLU 34 Ca -0.06 -0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.17 3af5 s GLU 34 Cb 0.11 0.31 0.04 0.00 0.26 0.00 0.00 34.13 34.85 3af5 s GLU 34 CO 0.86 -0.26 0.14 0.42 -0.54 0.00 0.00 175.26 175.88 3af5 s ILE 35 N -2.09 -0.23 0.17 -3.70 1.01 -1.26 -0.92 121.20 114.18 3af5 s ILE 35 Ca 0.02 0.36 -0.23 0.00 0.00 0.00 0.00 60.65 60.80 3af5 s ILE 35 Cb -0.01 -0.27 0.06 0.00 0.01 0.00 0.00 42.46 42.25 3af5 s ILE 35 CO -0.03 0.15 0.69 -1.83 0.00 0.00 0.00 174.94 173.91 3af5 s GLU 36 N 2.26 1.36 0.00 2.79 -1.05 -0.74 -5.01 118.70 118.31 3af5 s GLU 36 Ca 0.04 -0.61 -0.24 0.00 -0.15 0.00 0.00 54.97 54.01 3af5 s GLU 36 Cb -0.12 0.56 -0.05 0.00 -0.44 0.00 0.00 34.13 34.08 3af5 s GLU 36 CO -0.05 -0.61 0.72 -0.06 0.95 0.00 0.00 175.26 176.22 3af5 s PHE 37 N -3.69 3.68 -0.28 4.83 0.08 -1.26 -0.96 117.98 120.38 3af5 s PHE 37 Ca 0.05 1.37 -0.02 0.00 0.12 0.00 0.00 56.93 58.45 3af5 s PHE 37 Cb -0.02 -2.79 0.09 0.00 -0.57 0.00 0.00 43.02 39.73 3af5 s PHE 37 CO -0.06 0.22 0.10 -1.21 -0.10 0.00 0.00 175.22 174.17 3af5 s GLU 38 N 0.20 0.50 3.68 0.44 2.02 -0.19 -4.39 118.70 120.96 3af5 s GLU 38 Ca 0.37 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.62 3af5 s GLU 38 Cb -0.19 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.31 3af5 s GLU 38 CO 0.21 -0.93 0.00 0.41 0.02 0.00 0.00 175.26 174.97 3af5 n GLY 39 N 5.03 0.36 2.10 -1.39 0.00 0.89 -3.54 105.19 108.64 3af5 n GLY 39 Ca -0.05 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 3af5 n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3af5 n PRO 40 N 3.23 2.05 -3.62 1.61 -0.02 -1.26 -3.80 135.00 133.19 3af5 n PRO 40 Ca 0.00 -1.32 -0.03 0.00 -2.02 0.00 0.00 63.50 60.13 3af5 n PRO 40 Cb 0.00 -1.97 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 3af5 n PRO 40 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3af5 s GLU 41 N 0.14 0.65 -0.17 -0.52 -1.05 -1.23 -4.72 118.70 111.81 3af5 s GLU 41 Ca 0.60 -0.32 -0.11 0.00 -0.15 0.00 0.00 54.97 54.99 3af5 s GLU 41 Cb 0.32 0.25 -0.05 0.00 -0.44 0.00 0.00 34.13 34.21 3af5 s GLU 41 CO -0.06 -0.29 0.20 -1.17 0.95 0.00 0.00 175.26 174.89 3af5 s LEU 42 N -2.68 4.26 -0.06 1.83 2.96 0.12 -1.02 118.68 124.09 3af5 s LEU 42 Ca 0.11 0.39 0.05 0.00 -0.22 0.00 0.00 54.13 54.47 3af5 s LEU 42 Cb 0.01 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 3af5 s LEU 42 CO -0.04 0.19 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.26 3af5 s VAL 43 N 0.16 1.88 -0.26 1.68 1.01 -0.14 -0.59 120.40 124.14 3af5 s VAL 43 Ca 0.13 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3af5 s VAL 43 Cb -0.12 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.73 3af5 s VAL 43 CO 0.02 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 174.94 3af5 s ILE 44 N -0.08 1.95 0.10 2.22 1.01 -0.64 -1.80 121.20 123.98 3af5 s ILE 44 Ca -0.05 -1.58 -0.23 0.00 0.00 0.00 0.00 60.65 58.79 3af5 s ILE 44 Cb -0.13 -2.16 -0.07 0.00 0.01 0.00 0.00 42.46 40.11 3af5 s ILE 44 CO 0.04 -0.13 0.70 -0.31 0.00 0.00 0.00 174.94 175.23 3af5 s TYR 45 N 1.18 3.83 -0.14 3.97 2.02 -0.10 -1.54 117.35 126.57 3af5 s TYR 45 Ca -0.05 1.47 -0.10 0.00 -0.37 0.00 0.00 57.07 58.02 3af5 s TYR 45 Cb -0.19 -2.69 0.05 0.00 -0.40 0.00 0.00 41.96 38.73 3af5 s TYR 45 CO -0.06 0.48 0.35 0.14 -1.57 0.00 0.00 175.55 174.89 3af5 s VAL 46 N -0.87 -0.02 -1.34 0.71 -7.23 0.16 -0.83 120.40 110.98 3af5 s VAL 46 Ca 0.34 0.07 -0.10 0.00 -1.81 0.00 0.00 61.98 60.47 3af5 s VAL 46 Cb -0.21 -0.52 0.13 0.00 0.56 0.00 0.00 36.38 36.34 3af5 s VAL 46 CO 0.23 0.03 2.02 0.29 -0.31 0.00 0.00 175.10 177.36 3af5 n LYS 47 N 3.73 3.48 0.00 4.82 5.02 -0.97 -2.75 118.16 131.48 3af5 n LYS 47 Ca -0.20 -3.26 0.00 0.00 -2.02 0.00 0.00 58.31 52.83 3af5 n LYS 47 Cb 0.56 -3.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 3af5 n LYS 47 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3af5 n ASN 48 N 4.30 0.00 -3.56 4.39 6.94 -1.26 -4.58 115.26 121.49 3af5 n ASN 48 Ca 0.45 0.00 -0.47 0.00 -0.02 0.00 0.00 54.58 54.54 3af5 n ASN 48 Cb 0.36 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.72 3af5 n ASN 48 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3af5 n PRO 49 N 0.00 0.00 -1.60 -0.53 -0.04 -1.26 -4.93 135.00 126.64 3af5 n PRO 49 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3af5 n PRO 49 Cb 0.00 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3af5 n PRO 49 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3af5 n GLU 50 N 1.34 -3.37 0.00 0.54 4.07 -1.26 -5.17 120.64 116.79 3af5 n GLU 50 Ca 0.16 2.48 0.00 0.00 -0.06 0.00 0.00 57.16 59.75 3af5 n GLU 50 Cb 0.05 -2.95 0.00 0.00 -0.06 0.00 0.00 31.44 28.49 3af5 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3af5 n GLY 56 N -0.38 0.26 0.48 8.31 0.00 -1.26 -5.12 105.19 107.48 3af5 n GLY 56 Ca 0.00 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.76 3af5 n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3af5 n GLU 57 N 0.00 2.21 0.01 1.61 1.02 -1.26 -4.47 120.64 119.76 3af5 n GLU 57 Ca 0.00 -2.63 0.05 0.00 -0.02 0.00 0.00 57.16 54.56 3af5 n GLU 57 Cb 0.00 -1.63 -0.11 0.00 -0.02 0.00 0.00 31.44 29.68 3af5 n GLU 57 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3af5 n LEU 58 N -0.86 0.38 0.26 -4.62 7.94 -1.26 -4.16 117.00 114.68 3af5 n LEU 58 Ca 0.18 0.16 -0.16 0.00 -1.11 0.00 0.00 56.01 55.08 3af5 n LEU 58 Cb 0.73 0.09 -0.08 0.00 0.53 0.00 0.00 43.42 44.69 3af5 n LEU 58 CO 0.08 0.08 0.66 0.40 -1.11 0.00 0.00 177.39 177.50 3af5 h ILE 59 N 0.00 0.53 -1.46 1.96 2.04 -1.99 0.14 117.51 118.74 3af5 h ILE 59 Ca -0.13 -0.15 0.43 0.00 1.00 0.00 0.00 64.86 66.00 3af5 h ILE 59 Cb 1.36 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 3af5 h ILE 59 CO 0.02 0.03 1.04 0.50 0.00 0.00 0.00 178.15 179.74 3af5 h LYS 60 N -0.72 0.02 0.00 2.37 3.64 -1.85 -0.84 116.57 119.20 3af5 h LYS 60 Ca -0.06 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3af5 h LYS 60 Cb 0.52 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3af5 h LYS 60 CO 0.11 0.01 0.00 -0.25 -2.27 0.00 0.00 179.45 177.05 3af5 n ASP 61 N -4.14 0.00 -0.31 4.20 8.00 -0.83 -3.65 116.55 119.81 3af5 n ASP 61 Ca 0.33 0.19 0.34 0.00 0.71 0.00 0.00 54.79 56.36 3af5 n ASP 61 Cb 1.51 -0.37 0.60 0.00 -0.02 0.00 0.00 41.12 42.84 3af5 n ASP 61 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3af5 h LEU 62 N 0.00 0.00 0.10 0.64 6.46 -0.92 0.54 115.31 122.13 3af5 h LEU 62 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 3af5 h LEU 62 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3af5 h LEU 62 CO 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 178.44 177.77 3af5 h ALA 63 N 0.84 -0.14 0.00 1.25 0.00 -1.34 -2.01 119.26 117.86 3af5 h ALA 63 Ca 0.58 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3af5 h ALA 63 Cb 2.87 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.72 3af5 h ALA 63 CO -0.01 -0.25 0.00 1.63 0.00 0.00 0.00 179.25 180.63 3af5 n LYS 64 N -4.86 0.09 0.02 0.00 5.02 0.18 -0.31 118.16 118.30 3af5 n LYS 64 Ca -0.08 0.21 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 3af5 n LYS 64 Cb 0.28 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.65 3af5 n LYS 64 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3af5 h VAL 65 N 0.00 0.74 -0.00 -0.18 2.07 -1.14 -3.35 116.25 114.40 3af5 h VAL 65 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 3af5 h VAL 65 Cb 0.20 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3af5 h VAL 65 CO 0.00 0.86 -0.28 0.18 0.02 0.00 0.00 177.57 178.36 3af5 n LEU 66 N -3.57 0.38 -1.66 2.57 4.77 -0.76 -4.94 117.00 113.79 3af5 n LEU 66 Ca -0.30 0.14 -0.20 0.00 -0.03 0.00 0.00 56.01 55.62 3af5 n LEU 66 Cb 1.04 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.75 3af5 n LEU 66 CO 0.45 0.09 -0.20 0.29 -1.33 0.00 0.00 177.39 176.68 3af5 n LYS 67 N -1.37 -1.41 -4.30 3.23 4.76 0.58 -4.97 118.16 114.68 3af5 n LYS 67 Ca 0.08 1.14 -0.16 0.00 -2.87 0.00 0.00 58.31 56.50 3af5 n LYS 67 Cb 0.33 -5.53 -0.10 0.00 -1.84 0.00 0.00 35.03 27.89 3af5 n LYS 67 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3af5 s LYS 68 N -3.94 1.22 -0.37 1.97 1.02 -1.15 -5.04 119.74 113.46 3af5 s LYS 68 Ca 0.00 -1.57 -0.27 0.00 0.02 0.00 0.00 55.97 54.16 3af5 s LYS 68 Cb 0.00 -0.73 0.02 0.00 -0.52 0.00 0.00 37.83 36.60 3af5 s LYS 68 CO 0.00 0.03 0.98 0.50 -0.92 0.00 0.00 175.35 175.94 3af5 s ARG 69 N -3.77 3.88 0.14 1.68 3.52 -1.26 -4.66 118.95 118.47 3af5 s ARG 69 Ca 0.22 0.68 0.06 0.00 -0.13 0.00 0.00 55.73 56.56 3af5 s ARG 69 Cb 0.03 -3.80 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 3af5 s ARG 69 CO 0.05 -0.98 0.01 0.96 -0.81 0.00 0.00 175.30 174.53 3af5 s ILE 70 N 3.61 3.91 -0.15 4.11 -4.36 -1.26 0.10 121.20 127.17 3af5 s ILE 70 Ca 0.41 -1.21 -0.04 0.00 -0.26 0.00 0.00 60.65 59.55 3af5 s ILE 70 Cb -0.11 -2.93 0.07 0.00 1.25 0.00 0.00 42.46 40.74 3af5 s ILE 70 CO 0.19 -0.01 0.22 -0.55 0.24 0.00 0.00 174.94 175.03 3af5 s SER 71 N -2.69 0.93 -0.05 4.36 0.15 0.24 -4.93 113.70 111.71 3af5 s SER 71 Ca 0.27 0.14 -0.14 0.00 0.70 0.00 0.00 55.95 56.93 3af5 s SER 71 Cb -0.10 0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 64.60 3af5 s SER 71 CO 0.19 -0.28 0.35 0.54 1.20 0.00 0.00 173.24 175.24 3af5 s VAL 72 N 2.34 5.16 0.18 4.45 0.11 -1.26 -1.62 120.40 129.77 3af5 s VAL 72 Ca 0.04 0.70 -0.06 0.00 -2.93 0.00 0.00 61.98 59.74 3af5 s VAL 72 Cb -0.14 -3.66 -0.02 0.00 -1.53 0.00 0.00 36.38 31.03 3af5 s VAL 72 CO -0.09 0.54 0.23 -0.13 -3.33 0.00 0.00 175.10 172.31 3af5 s ARG 73 N -0.70 1.19 0.31 1.54 0.52 -0.59 -4.95 118.95 116.28 3af5 s ARG 73 Ca 0.21 -1.38 -0.19 0.00 -0.52 0.00 0.00 55.73 53.86 3af5 s ARG 73 Cb -0.15 0.33 -0.09 0.00 0.52 0.00 0.00 34.95 35.56 3af5 s ARG 73 CO 0.10 -0.42 0.81 -1.25 0.02 0.00 0.00 175.30 174.56 3af5 s PRO 74 N -4.05 4.21 0.26 3.54 0.04 -1.25 0.39 135.00 138.13 3af5 s PRO 74 Ca 0.26 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 3af5 s PRO 74 Cb 0.05 -2.57 -0.14 0.00 0.04 0.00 0.00 34.50 31.87 3af5 s PRO 74 CO 0.05 0.21 1.12 -3.47 0.04 0.00 0.00 177.00 174.96 3af5 n ASP 75 N 0.04 1.63 0.00 6.66 -0.08 -1.11 -4.62 116.55 119.07 3af5 n ASP 75 Ca 0.02 1.17 0.00 0.00 -1.51 0.00 0.00 54.79 54.47 3af5 n ASP 75 Cb 0.52 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.68 3af5 n ASP 75 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3af5 n PRO 76 N 1.14 0.00 0.12 -0.67 -0.04 -1.26 -1.79 135.00 132.50 3af5 n PRO 76 Ca 0.11 0.30 -0.23 0.00 -0.04 0.00 0.00 63.50 63.63 3af5 n PRO 76 Cb 0.30 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 32.09 3af5 n PRO 76 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3af5 h GLU 77 N 0.00 0.47 -1.29 0.54 4.81 -2.01 -3.30 114.58 113.79 3af5 h GLU 77 Ca 0.00 -0.80 -0.01 0.00 -0.13 0.00 0.00 59.36 58.42 3af5 h GLU 77 Cb 0.03 0.30 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3af5 h GLU 77 CO 0.00 1.38 0.02 1.33 -0.73 0.00 0.00 179.01 181.00 3af5 n VAL 78 N -3.66 1.35 -3.98 0.32 0.24 -0.74 -4.77 118.33 107.09 3af5 n VAL 78 Ca -0.17 -0.20 -0.34 0.00 -2.04 0.00 0.00 64.34 61.58 3af5 n VAL 78 Cb 1.09 -1.14 -0.15 0.00 -1.47 0.00 0.00 33.84 32.17 3af5 n VAL 78 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3af5 s LEU 79 N -0.08 2.66 0.27 1.34 1.43 -1.25 -4.64 118.68 118.41 3af5 s LEU 79 Ca 0.01 -0.52 -0.31 0.00 -1.03 0.00 0.00 54.13 52.29 3af5 s LEU 79 Cb 0.01 -1.65 -0.12 0.00 0.03 0.00 0.00 46.19 44.47 3af5 s LEU 79 CO 0.00 -0.02 1.64 -0.76 0.23 0.00 0.00 176.35 177.44 3af5 s LEU 80 N 1.40 4.35 0.78 1.79 1.43 -1.23 -4.92 118.68 122.28 3af5 s LEU 80 Ca 0.05 2.94 -0.16 0.00 -1.03 0.00 0.00 54.13 55.93 3af5 s LEU 80 Cb -0.14 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 3af5 s LEU 80 CO -0.07 -0.94 0.23 -0.81 0.23 0.00 0.00 176.35 175.00 3af5 n PRO 81 N 2.69 0.12 0.27 1.29 -0.04 -1.26 -4.51 135.00 133.55 3af5 n PRO 81 Ca 0.10 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.48 3af5 n PRO 81 Cb 0.37 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.13 3af5 n PRO 81 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3af5 h PRO 82 N -0.63 -0.66 0.00 0.54 0.13 -1.98 -0.01 132.00 129.39 3af5 h PRO 82 Ca -0.44 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3af5 h PRO 82 Cb 1.34 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.62 3af5 h PRO 82 CO 0.38 -0.44 0.00 -1.91 -0.23 0.00 0.00 178.00 175.80 3af5 n GLU 83 N -5.40 0.13 -0.05 0.86 0.00 -1.26 -1.67 120.64 113.25 3af5 n GLU 83 Ca -0.11 0.61 -0.04 0.00 0.00 0.00 0.00 57.16 57.62 3af5 n GLU 83 Cb 0.30 -1.92 -0.01 0.00 0.00 0.00 0.00 31.44 29.81 3af5 n GLU 83 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3af5 n GLU 84 N -2.20 0.28 0.14 5.31 0.00 -0.94 -4.39 120.64 118.83 3af5 n GLU 84 Ca -0.01 0.22 0.09 0.00 0.00 0.00 0.00 57.16 57.46 3af5 n GLU 84 Cb 0.05 -1.12 0.47 0.00 0.00 0.00 0.00 31.44 30.84 3af5 n GLU 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3af5 n ALA 85 N -3.41 1.00 0.37 4.31 0.00 -0.06 -0.82 120.51 121.90 3af5 n ALA 85 Ca -0.07 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.68 3af5 n ALA 85 Cb 0.24 -1.22 0.50 0.00 0.00 0.00 0.00 19.45 18.97 3af5 n ALA 85 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3af5 h GLU 86 N 0.00 0.00 0.00 0.00 4.81 -1.52 -2.52 114.58 115.35 3af5 h GLU 86 Ca 0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 3af5 h GLU 86 Cb 0.05 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3af5 h GLU 86 CO 0.00 0.00 -2.03 1.17 -0.73 0.00 0.00 179.01 177.42 3af5 n LYS 87 N -2.64 0.96 0.23 1.92 0.00 -0.00 -4.02 118.16 114.61 3af5 n LYS 87 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 58.31 58.36 3af5 n LYS 87 Cb 0.33 -1.43 0.53 0.00 0.00 0.00 0.00 35.03 34.46 3af5 n LYS 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3af5 h LEU 88 N 0.00 0.00 0.09 3.14 6.46 -1.39 -3.09 115.31 120.53 3af5 h LEU 88 Ca -0.27 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.32 3af5 h LEU 88 Cb 1.55 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.50 3af5 h LEU 88 CO 0.01 0.21 -0.70 -0.29 -0.62 0.00 0.00 178.44 177.06 3af5 h ILE 89 N 0.00 1.51 0.00 4.05 2.10 -1.62 -1.65 117.51 121.89 3af5 h ILE 89 Ca -0.00 -2.38 0.00 0.00 1.08 0.00 0.00 64.86 63.55 3af5 h ILE 89 Cb 0.62 3.04 0.00 0.00 -1.09 0.00 0.00 36.82 39.38 3af5 h ILE 89 CO 0.03 0.68 0.00 0.49 -1.08 0.00 0.00 178.15 178.26 3af5 n PHE 90 N -4.19 0.00 -0.08 2.19 3.72 -1.17 -1.60 117.46 116.33 3af5 n PHE 90 Ca -0.13 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.16 3af5 n PHE 90 Cb 0.76 -0.11 -0.09 0.00 -0.94 0.00 0.00 39.48 39.10 3af5 n PHE 90 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3af5 n GLU 91 N -1.11 0.73 -0.06 -1.08 2.13 -1.17 -4.55 120.64 115.53 3af5 n GLU 91 Ca 0.04 0.08 0.11 0.00 0.66 0.00 0.00 57.16 58.05 3af5 n GLU 91 Cb 0.03 -1.35 0.42 0.00 0.27 0.00 0.00 31.44 30.81 3af5 n GLU 91 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3af5 n ILE 92 N -2.90 0.16 -4.65 6.31 3.06 -0.63 -4.86 119.36 115.84 3af5 n ILE 92 Ca -0.29 -0.30 -0.23 0.00 -2.50 0.00 0.00 62.75 59.43 3af5 n ILE 92 Cb 0.86 0.33 -0.15 0.00 0.54 0.00 0.00 39.64 41.21 3af5 n ILE 92 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3af5 s VAL 93 N -1.84 1.14 0.15 9.51 1.01 -0.82 -4.91 120.40 124.63 3af5 s VAL 93 Ca 0.33 -0.59 -0.34 0.00 0.00 0.00 0.00 61.98 61.38 3af5 s VAL 93 Cb 0.18 -0.97 -0.16 0.00 0.00 0.00 0.00 36.38 35.43 3af5 s VAL 93 CO 0.27 0.33 1.24 -2.65 0.00 0.00 0.00 175.10 174.29 3af5 n PRO 94 N 2.95 1.22 0.31 2.72 -0.02 -1.26 -4.86 135.00 136.06 3af5 n PRO 94 Ca -0.16 0.44 0.20 0.00 -2.02 0.00 0.00 63.50 61.96 3af5 n PRO 94 Cb 0.54 -1.99 0.98 0.00 -0.02 0.00 0.00 33.50 33.01 3af5 n PRO 94 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3af5 h LYS 95 N 3.83 0.00 0.00 -0.52 1.57 -1.97 -1.07 116.57 118.41 3af5 h LYS 95 Ca -0.45 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.24 3af5 h LYS 95 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 3af5 h LYS 95 CO 0.73 0.00 -0.46 1.05 -0.57 0.00 0.00 179.45 180.20 3af5 h GLU 96 N 0.00 0.00 -0.11 3.15 4.11 -1.99 -2.89 114.58 116.86 3af5 h GLU 96 Ca -0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 3af5 h GLU 96 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3af5 h GLU 96 CO 0.00 0.46 0.20 0.00 0.07 0.00 0.00 179.01 179.74 3af5 h ALA 97 N 1.54 1.52 -5.84 1.06 0.00 -1.44 -3.44 119.26 112.67 3af5 h ALA 97 Ca -0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3af5 h ALA 97 Cb 1.20 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.01 3af5 h ALA 97 CO 0.06 -0.25 -0.82 -1.91 0.00 0.00 0.00 179.25 176.32 3af5 n GLU 98 N -3.41 -2.19 -2.76 0.00 4.07 -1.09 -2.22 120.64 113.04 3af5 n GLU 98 Ca -0.00 1.83 -0.43 0.00 -0.06 0.00 0.00 57.16 58.50 3af5 n GLU 98 Cb 0.29 -4.07 -0.04 0.00 -0.06 0.00 0.00 31.44 27.56 3af5 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3af5 s ILE 99 N -2.09 4.26 0.03 6.31 1.01 -1.26 -1.51 121.20 127.95 3af5 s ILE 99 Ca 0.30 0.38 -0.20 0.00 0.00 0.00 0.00 60.65 61.13 3af5 s ILE 99 Cb -0.06 -4.62 -0.16 0.00 0.01 0.00 0.00 42.46 37.64 3af5 s ILE 99 CO 0.81 -1.24 1.29 0.00 0.00 0.00 0.00 174.94 175.79 3af5 h THR 100 N 6.05 1.37 -4.24 2.92 1.03 -1.45 -3.48 112.91 115.12 3af5 h THR 100 Ca -0.26 -1.49 -0.14 0.00 -0.01 0.00 0.00 66.41 64.51 3af5 h THR 100 Cb 1.07 2.03 -0.15 0.00 -1.07 0.00 0.00 68.15 70.03 3af5 h THR 100 CO 1.13 0.44 -0.62 0.20 -0.01 0.00 0.00 175.52 176.66 3af5 s ASN 101 N -6.28 0.37 -0.21 0.00 0.01 -1.06 -5.03 114.94 102.74 3af5 s ASN 101 Ca -0.14 -1.02 -0.07 0.00 -0.71 0.00 0.00 52.86 50.91 3af5 s ASN 101 Cb 0.05 0.26 0.09 0.00 0.41 0.00 0.00 41.25 42.06 3af5 s ASN 101 CO 0.77 -0.67 0.45 -0.51 -1.51 0.00 0.00 177.10 175.63 3af5 s ILE 102 N -3.96 -0.68 0.29 0.60 -1.16 -1.26 -0.30 121.20 114.73 3af5 s ILE 102 Ca 0.13 0.14 0.06 0.00 -0.51 0.00 0.00 60.65 60.47 3af5 s ILE 102 Cb 0.07 -0.71 -0.06 0.00 0.61 0.00 0.00 42.46 42.37 3af5 s ILE 102 CO -0.06 0.06 -0.05 0.00 -2.81 0.00 0.00 174.94 172.08 3af5 s ALA 103 N 2.61 2.36 0.07 1.50 0.00 0.96 -4.99 121.76 124.27 3af5 s ALA 103 Ca -0.03 -1.92 0.07 0.00 0.00 0.00 0.00 51.96 50.08 3af5 s ALA 103 Cb -0.12 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 3af5 s ALA 103 CO -0.14 -0.09 -0.18 -0.06 0.00 0.00 0.00 175.76 175.29 3af5 s PHE 104 N -3.03 1.55 -0.42 0.00 0.08 -1.26 -0.24 117.98 114.66 3af5 s PHE 104 Ca 0.30 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 57.00 3af5 s PHE 104 Cb 0.04 -0.89 0.19 0.00 -0.57 0.00 0.00 43.02 41.80 3af5 s PHE 104 CO 0.12 0.11 0.39 -3.47 -0.10 0.00 0.00 175.22 172.28 3af5 n ASP 105 N 1.49 -0.16 0.16 1.36 2.03 -0.65 -4.10 116.55 116.67 3af5 n ASP 105 Ca -0.19 -2.49 0.08 0.00 0.52 0.00 0.00 54.79 52.71 3af5 n ASP 105 Cb 0.54 -0.58 0.44 0.00 -0.72 0.00 0.00 41.12 40.80 3af5 n ASP 105 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3af5 n PRO 106 N 2.44 0.11 0.00 -0.67 -0.04 -1.26 -0.95 135.00 134.62 3af5 n PRO 106 Ca 0.27 0.59 0.09 0.00 -0.04 0.00 0.00 63.50 64.42 3af5 n PRO 106 Cb 0.49 -2.03 0.43 0.00 -0.04 0.00 0.00 33.50 32.35 3af5 n PRO 106 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3af5 n SER 107 N -2.11 0.00 0.00 3.54 3.41 -1.26 -2.99 113.62 114.20 3af5 n SER 107 Ca -0.01 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3af5 n SER 107 Cb 0.20 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3af5 n SER 107 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3af5 n VAL 108 N -1.42 0.00 -3.36 -3.33 0.31 -0.13 -4.80 118.33 105.60 3af5 n VAL 108 Ca 0.06 -0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3af5 n VAL 108 Cb 0.19 1.76 0.02 0.00 -0.91 0.00 0.00 33.84 34.90 3af5 n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3af5 n GLY 109 N 0.02 -1.20 3.19 2.92 0.00 -0.69 -4.90 105.19 104.52 3af5 n GLY 109 Ca 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 3af5 n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3af5 s GLU 110 N -4.14 0.33 -0.25 1.61 2.12 -1.20 -2.62 118.70 114.56 3af5 s GLU 110 Ca 0.14 0.63 -0.08 0.00 0.36 0.00 0.00 54.97 56.03 3af5 s GLU 110 Cb -0.04 -0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.31 3af5 s GLU 110 CO 0.80 -0.14 0.10 0.08 -0.54 0.00 0.00 175.26 175.56 3af5 s VAL 111 N 1.09 4.58 -0.40 3.70 1.01 0.22 -1.64 120.40 128.95 3af5 s VAL 111 Ca -0.07 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 3af5 s VAL 111 Cb -0.08 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.17 3af5 s VAL 111 CO -0.08 0.33 0.62 -0.22 0.00 0.00 0.00 175.10 175.75 3af5 s LEU 112 N 1.50 4.41 -0.20 3.92 0.20 0.67 -1.25 118.68 127.93 3af5 s LEU 112 Ca 0.06 -0.16 -0.06 0.00 0.69 0.00 0.00 54.13 54.66 3af5 s LEU 112 Cb -0.15 -2.73 -0.03 0.00 -0.43 0.00 0.00 46.19 42.85 3af5 s LEU 112 CO 0.05 -0.69 0.02 -0.63 -0.29 0.00 0.00 176.35 174.82 3af5 s ILE 113 N 2.73 4.23 -0.09 6.68 1.01 -0.02 -0.03 121.20 135.71 3af5 s ILE 113 Ca 0.23 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.67 3af5 s ILE 113 Cb -0.14 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 3af5 s ILE 113 CO 0.17 0.43 -0.14 -0.70 0.00 0.00 0.00 174.94 174.70 3af5 s GLU 114 N 0.85 2.99 -0.03 2.79 2.12 0.59 -0.10 118.70 127.90 3af5 s GLU 114 Ca 0.02 -0.69 -0.25 0.00 0.36 0.00 0.00 54.97 54.41 3af5 s GLU 114 Cb -0.14 -2.51 0.05 0.00 0.26 0.00 0.00 34.13 31.79 3af5 s GLU 114 CO 0.02 0.40 0.53 0.00 -0.54 0.00 0.00 175.26 175.67 3af5 s ALA 115 N -0.13 -1.38 0.34 6.30 0.00 -0.73 -1.08 121.76 125.09 3af5 s ALA 115 Ca -0.01 0.92 0.11 0.00 0.00 0.00 0.00 51.96 52.98 3af5 s ALA 115 Cb -0.14 0.04 0.62 0.00 0.00 0.00 0.00 23.12 23.64 3af5 s ALA 115 CO 0.03 -0.33 1.78 0.87 0.00 0.00 0.00 175.76 178.11 3af5 h LYS 116 N 3.33 0.05 -2.34 0.00 1.57 -1.35 -1.37 116.57 116.46 3af5 h LYS 116 Ca -0.28 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 57.88 3af5 h LYS 116 Cb 1.16 -0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.05 3af5 h LYS 116 CO 0.39 0.45 -0.68 1.63 -0.57 0.00 0.00 179.45 180.68 3af5 n LYS 117 N -4.05 2.05 0.00 3.15 4.76 -0.94 -4.75 118.16 118.38 3af5 n LYS 117 Ca -0.02 -4.38 0.00 0.00 -2.87 0.00 0.00 58.31 51.05 3af5 n LYS 117 Cb 0.45 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 3af5 n LYS 117 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3af5 n PRO 118 N 1.21 0.00 -0.03 1.97 -0.04 -1.24 -2.82 135.00 134.05 3af5 n PRO 118 Ca 0.27 0.29 -0.14 0.00 -0.04 0.00 0.00 63.50 63.88 3af5 n PRO 118 Cb 0.42 -1.53 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 3af5 n PRO 118 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3af5 h GLY 119 N 0.00 0.11 1.51 0.55 0.00 -1.92 -1.63 103.07 101.69 3af5 h GLY 119 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3af5 h GLY 119 CO 0.00 0.15 0.00 1.04 0.00 0.00 0.00 176.54 177.73 3af5 n LEU 120 N -4.64 0.00 -0.02 3.11 7.99 -1.13 -2.40 117.00 119.92 3af5 n LEU 120 Ca -0.09 0.25 0.03 0.00 -0.01 0.00 0.00 56.01 56.20 3af5 n LEU 120 Cb 0.41 -0.25 -0.09 0.00 -0.11 0.00 0.00 43.42 43.37 3af5 n LEU 120 CO 0.36 -0.12 -0.70 0.55 -1.51 0.00 0.00 177.39 175.97 3af5 n VAL 121 N -1.25 0.20 1.02 4.08 3.14 -1.20 -4.37 118.33 119.93 3af5 n VAL 121 Ca 0.08 -0.33 0.10 0.00 -2.96 0.00 0.00 64.34 61.23 3af5 n VAL 121 Cb 0.12 -0.01 0.32 0.00 -1.06 0.00 0.00 33.84 33.21 3af5 n VAL 121 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3af5 n ILE 122 N -2.05 0.30 -0.44 1.55 3.06 -0.62 -4.33 119.36 116.83 3af5 n ILE 122 Ca -0.06 -0.43 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 3af5 n ILE 122 Cb 0.46 0.45 0.00 0.00 0.54 0.00 0.00 39.64 41.09 3af5 n ILE 122 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3af5 n GLY 123 N 1.19 -3.07 0.09 4.50 0.00 -1.12 -3.55 105.19 103.22 3af5 n GLY 123 Ca 0.16 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.40 3af5 n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3af5 n LYS 124 N 0.35 0.06 -2.73 1.61 4.01 -1.25 -0.89 118.16 119.31 3af5 n LYS 124 Ca 0.00 0.48 -0.05 0.00 -0.51 0.00 0.00 58.31 58.24 3af5 n LYS 124 Cb 0.00 -1.87 0.07 0.00 -0.51 0.00 0.00 35.03 32.72 3af5 n LYS 124 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3af5 n ASN 125 N -1.76 0.54 0.00 4.39 4.05 -1.26 -4.92 115.26 116.30 3af5 n ASN 125 Ca -0.01 -2.36 0.00 0.00 0.45 0.00 0.00 54.58 52.67 3af5 n ASN 125 Cb 0.20 -0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.11 3af5 n ASN 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3af5 n GLY 126 N -0.55 0.00 0.18 8.20 0.00 -0.07 -4.80 105.19 108.16 3af5 n GLY 126 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3af5 n GLY 126 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3af5 h GLU 127 N 0.00 -0.39 0.00 1.61 4.81 -1.73 -3.22 114.58 115.65 3af5 h GLU 127 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3af5 h GLU 127 Cb 0.29 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3af5 h GLU 127 CO 0.00 -0.26 0.37 1.15 -0.73 0.00 0.00 179.01 179.53 3af5 h THR 128 N -0.88 0.00 0.12 0.32 2.02 -1.83 0.36 112.91 113.02 3af5 h THR 128 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3af5 h THR 128 Cb 0.31 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3af5 h THR 128 CO 0.07 0.00 -0.06 0.25 0.37 0.00 0.00 175.52 176.15 3af5 h LEU 129 N 0.00 -0.13 -0.27 2.58 5.85 -1.61 -2.72 115.31 119.00 3af5 h LEU 129 Ca 0.00 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 3af5 h LEU 129 Cb 0.73 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3af5 h LEU 129 CO 0.00 0.34 -0.29 0.03 -0.34 0.00 0.00 178.44 178.19 3af5 h ARG 130 N -0.66 0.00 -0.08 1.25 3.08 -0.53 -2.40 114.38 115.05 3af5 h ARG 130 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3af5 h ARG 130 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3af5 h ARG 130 CO 0.03 0.29 0.04 1.25 -1.07 0.00 0.00 179.97 180.51 3af5 h LEU 131 N 0.00 0.07 0.00 3.04 5.85 -0.47 -2.43 115.31 121.37 3af5 h LEU 131 Ca -0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 3af5 h LEU 131 Cb 1.12 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3af5 h LEU 131 CO 0.04 0.06 -0.76 -0.29 -0.34 0.00 0.00 178.44 177.14 3af5 h ILE 132 N 0.09 0.84 -0.93 4.05 2.10 -1.54 -3.27 117.51 118.85 3af5 h ILE 132 Ca 0.03 -2.25 0.06 0.00 1.08 0.00 0.00 64.86 63.78 3af5 h ILE 132 Cb -0.00 2.36 -0.06 0.00 -1.09 0.00 0.00 36.82 38.02 3af5 h ILE 132 CO -0.01 0.48 0.61 0.00 -1.08 0.00 0.00 178.15 178.14 3af5 h THR 133 N 0.00 1.09 -0.05 2.19 1.03 -1.16 -2.80 112.91 113.20 3af5 h THR 133 Ca -0.04 -0.37 -0.12 0.00 -0.01 0.00 0.00 66.41 65.87 3af5 h THR 133 Cb 1.46 -0.09 0.01 0.00 -1.07 0.00 0.00 68.15 68.45 3af5 h THR 133 CO 0.07 0.20 -0.43 -0.61 -0.01 0.00 0.00 175.52 174.73 3af5 h GLN 134 N 1.09 0.38 0.00 0.00 5.75 -1.51 0.17 115.11 120.98 3af5 h GLN 134 Ca 0.40 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3af5 h GLN 134 Cb 0.16 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3af5 h GLN 134 CO -0.15 1.00 0.00 0.87 -2.65 0.00 0.00 178.83 177.90 3af5 h LYS 135 N -0.13 0.00 0.00 1.69 1.79 -1.55 -3.09 116.57 115.28 3af5 h LYS 135 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3af5 h LYS 135 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3af5 h LYS 135 CO 0.09 0.00 0.00 1.33 -1.08 0.00 0.00 179.45 179.79 3af5 n VAL 136 N -2.78 0.00 0.00 0.50 0.24 -1.11 -4.97 118.33 110.21 3af5 n VAL 136 Ca -0.02 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3af5 n VAL 136 Cb 0.06 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 3af5 n VAL 136 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3af5 n LYS 137 N -0.26 0.00 -1.53 7.34 4.01 0.59 -3.48 118.16 124.83 3af5 n LYS 137 Ca 0.00 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.46 3af5 n LYS 137 Cb 0.05 -2.45 0.08 0.00 -0.51 0.00 0.00 35.03 32.20 3af5 n LYS 137 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3af5 s TRP 138 N -0.33 2.18 -0.41 2.13 0.52 -1.25 -4.83 118.94 116.95 3af5 s TRP 138 Ca 0.00 1.59 -0.25 0.00 0.02 0.00 0.00 56.10 57.45 3af5 s TRP 138 Cb 0.00 -3.41 0.02 0.00 -1.15 0.00 0.00 33.47 28.93 3af5 s TRP 138 CO 0.00 -2.40 0.91 0.00 0.02 0.00 0.00 176.95 175.47 3af5 s ALA 139 N -2.03 3.32 0.26 0.98 0.00 -1.08 -4.68 121.76 118.53 3af5 s ALA 139 Ca 0.73 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 3af5 s ALA 139 Cb -0.27 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 3af5 s ALA 139 CO 0.44 -1.82 0.96 -1.25 0.00 0.00 0.00 175.76 174.09 3af5 s PRO 140 N 3.56 4.78 -0.21 0.00 0.04 -1.26 0.69 135.00 142.60 3af5 s PRO 140 Ca 0.37 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 3af5 s PRO 140 Cb -0.11 -3.18 0.09 0.00 0.04 0.00 0.00 34.50 31.34 3af5 s PRO 140 CO 0.22 0.44 0.19 0.15 0.04 0.00 0.00 177.00 178.04 3af5 s LYS 141 N -1.37 0.17 0.12 4.56 -0.14 -0.38 -4.91 119.74 117.79 3af5 s LYS 141 Ca 0.43 0.04 -0.22 0.00 -1.36 0.00 0.00 55.97 54.86 3af5 s LYS 141 Cb -0.25 -1.30 -0.07 0.00 -1.68 0.00 0.00 37.83 34.52 3af5 s LYS 141 CO 0.32 -0.73 0.67 0.14 -0.76 0.00 0.00 175.35 174.99 3af5 s VAL 142 N 2.27 4.55 -0.05 3.17 -7.23 -1.26 -0.84 120.40 121.01 3af5 s VAL 142 Ca 0.06 1.46 0.01 0.00 -1.81 0.00 0.00 61.98 61.70 3af5 s VAL 142 Cb -0.16 -4.02 0.02 0.00 0.56 0.00 0.00 36.38 32.79 3af5 s VAL 142 CO -0.15 0.54 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.44 3af5 s VAL 143 N -1.12 0.52 0.19 1.32 1.01 0.85 -4.94 120.40 118.23 3af5 s VAL 143 Ca 0.32 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 3af5 s VAL 143 Cb -0.21 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 3af5 s VAL 143 CO 0.23 0.23 1.38 -0.60 0.00 0.00 0.00 175.10 176.33 3af5 s ARG 144 N 1.00 4.33 -0.02 2.72 3.52 -1.26 -1.77 118.95 127.46 3af5 s ARG 144 Ca -0.10 2.15 -0.35 0.00 -0.13 0.00 0.00 55.73 57.30 3af5 s ARG 144 Cb -0.14 -3.18 -0.13 0.00 -1.56 0.00 0.00 34.95 29.94 3af5 s ARG 144 CO -0.00 -0.36 1.74 2.41 -0.81 0.00 0.00 175.30 178.27 3af5 n THR 145 N 2.93 0.33 -2.18 4.11 -1.04 -0.52 -4.81 114.28 113.11 3af5 n THR 145 Ca 0.08 -0.06 -0.37 0.00 -2.04 0.00 0.00 64.05 61.66 3af5 n THR 145 Cb 0.42 -1.63 -0.00 0.00 -1.82 0.00 0.00 70.33 67.30 3af5 n THR 145 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3af5 s PRO 146 N 2.80 3.64 0.28 -2.82 0.04 -1.26 -4.91 135.00 132.77 3af5 s PRO 146 Ca 0.88 1.84 0.22 0.00 0.04 0.00 0.00 61.00 63.99 3af5 s PRO 146 Cb -0.75 -2.36 1.04 0.00 0.04 0.00 0.00 34.50 32.47 3af5 s PRO 146 CO 0.49 -0.67 1.68 -0.35 0.04 0.00 0.00 177.00 178.18 3af5 n PRO 147 N -0.61 0.17 -3.94 0.56 -0.04 -1.26 -4.60 135.00 125.28 3af5 n PRO 147 Ca 0.08 0.51 -0.14 0.00 -0.04 0.00 0.00 63.50 63.91 3af5 n PRO 147 Cb 0.48 -1.90 -0.15 0.00 -0.04 0.00 0.00 33.50 31.89 3af5 n PRO 147 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3af5 s LEU 148 N -4.46 1.82 -0.10 1.53 1.43 -1.26 -5.06 118.68 112.57 3af5 s LEU 148 Ca 0.01 -0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.93 3af5 s LEU 148 Cb 0.08 -0.10 -0.05 0.00 0.03 0.00 0.00 46.19 46.16 3af5 s LEU 148 CO 0.31 -0.01 0.43 0.00 0.23 0.00 0.00 176.35 177.31 3af5 s GLN 149 N 0.19 4.22 -0.21 1.70 0.00 -1.26 -4.85 119.66 119.45 3af5 s GLN 149 Ca -0.02 0.38 -0.08 0.00 -0.00 0.00 0.00 55.36 55.64 3af5 s GLN 149 Cb -0.03 -3.38 -0.04 0.00 0.00 0.00 0.00 33.01 29.56 3af5 s GLN 149 CO -0.01 0.31 0.08 0.45 0.00 0.00 0.00 175.29 176.12 3af5 s SER 150 N 0.17 5.58 0.22 12.60 0.15 -1.26 -4.95 113.70 126.21 3af5 s SER 150 Ca 0.24 0.01 -0.06 0.00 0.70 0.00 0.00 55.95 56.84 3af5 s SER 150 Cb -0.15 -1.98 0.20 0.00 -1.71 0.00 0.00 66.02 62.39 3af5 s SER 150 CO 0.10 0.11 1.74 1.56 1.20 0.00 0.00 173.24 177.95 3af5 h GLN 151 N 7.20 1.03 -0.06 5.44 7.50 -1.97 -1.77 115.11 132.47 3af5 h GLN 151 Ca -0.37 -0.25 -0.00 0.00 0.50 0.00 0.00 58.65 58.53 3af5 h GLN 151 Cb 1.17 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 28.56 3af5 h GLN 151 CO 0.66 0.93 0.04 1.15 -1.50 0.00 0.00 178.83 180.10 3af5 h THR 152 N 0.97 1.07 -0.58 -0.54 2.02 -1.94 0.32 112.91 114.23 3af5 h THR 152 Ca 0.20 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3af5 h THR 152 Cb 0.38 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3af5 h THR 152 CO 0.01 0.06 0.29 0.40 0.37 0.00 0.00 175.52 176.65 3af5 h ILE 153 N 0.02 1.20 -0.64 3.11 2.04 -1.91 -0.80 117.51 120.53 3af5 h ILE 153 Ca 0.02 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3af5 h ILE 153 Cb 0.07 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3af5 h ILE 153 CO -0.00 0.23 0.36 0.22 0.00 0.00 0.00 178.15 178.96 3af5 h TYR 154 N 0.79 0.87 -0.58 1.37 5.03 -1.16 -2.03 116.97 121.26 3af5 h TYR 154 Ca 0.20 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 3af5 h TYR 154 Cb 0.09 -0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.07 3af5 h TYR 154 CO -0.00 0.61 0.28 1.03 -1.32 0.00 0.00 178.16 178.76 3af5 h SER 155 N 0.87 0.76 -0.26 -2.11 0.87 -0.58 -1.74 113.55 111.37 3af5 h SER 155 Ca 0.23 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 3af5 h SER 155 Cb 0.02 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 3af5 h SER 155 CO -0.04 0.68 -0.15 0.40 -0.53 0.00 0.00 176.83 177.19 3af5 h ILE 156 N 0.79 1.26 -0.52 2.23 2.04 -0.93 -2.31 117.51 120.07 3af5 h ILE 156 Ca 0.20 -1.18 -0.09 0.00 1.00 0.00 0.00 64.86 64.80 3af5 h ILE 156 Cb 0.12 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3af5 h ILE 156 CO -0.03 0.39 -0.01 -0.09 0.00 0.00 0.00 178.15 178.42 3af5 h ARG 157 N 0.62 0.92 -0.69 2.37 2.43 -1.14 -1.57 114.38 117.31 3af5 h ARG 157 Ca 0.10 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 3af5 h ARG 157 Cb 0.60 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 3af5 h ARG 157 CO 0.04 0.95 0.19 0.37 -1.51 0.00 0.00 179.97 180.01 3af5 h GLN 158 N 0.79 1.08 -0.51 0.20 5.75 -1.14 -2.80 115.11 118.48 3af5 h GLN 158 Ca 0.14 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.29 3af5 h GLN 158 Cb 0.54 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 3af5 h GLN 158 CO 0.03 0.94 -0.14 0.82 -2.65 0.00 0.00 178.83 177.83 3af5 h ILE 159 N 1.04 1.27 0.00 2.39 2.04 -1.16 -2.69 117.51 120.39 3af5 h ILE 159 Ca 0.22 -1.28 -0.07 0.00 1.00 0.00 0.00 64.86 64.73 3af5 h ILE 159 Cb 0.32 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3af5 h ILE 159 CO -0.00 0.45 -0.35 -0.07 0.00 0.00 0.00 178.15 178.18 3af5 h LEU 160 N 0.86 0.00 0.00 1.44 4.07 -1.11 -1.90 115.31 118.67 3af5 h LEU 160 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3af5 h LEU 160 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.43 3af5 h LEU 160 CO 0.05 0.35 -0.84 0.00 -1.08 0.00 0.00 178.44 176.92 3af5 n GLN 161 N -3.84 0.18 -0.00 1.13 10.64 -1.07 -3.70 117.38 120.72 3af5 n GLN 161 Ca -0.01 0.01 0.10 0.00 -1.83 0.00 0.00 57.00 55.26 3af5 n GLN 161 Cb 0.42 -1.57 -0.12 0.00 -0.86 0.00 0.00 30.24 28.11 3af5 n GLN 161 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 3af5 n THR 162 N -1.81 0.00 -0.89 -0.39 -2.24 -1.02 -4.24 114.28 103.68 3af5 n THR 162 Ca 0.03 -0.06 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 3af5 n THR 162 Cb 0.40 0.92 0.23 0.00 -2.10 0.00 0.00 70.33 69.78 3af5 n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3af5 n GLU 163 N -1.54 2.78 -0.32 -0.78 -0.58 -0.72 -4.74 120.64 114.73 3af5 n GLU 163 Ca 0.03 -2.71 0.19 0.00 -0.42 0.00 0.00 57.16 54.25 3af5 n GLU 163 Cb 0.34 -1.73 0.39 0.00 -0.57 0.00 0.00 31.44 29.86 3af5 n GLU 163 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3af5 h SER 164 N 1.65 0.38 0.27 1.62 4.64 -1.74 -1.34 113.55 119.02 3af5 h SER 164 Ca 0.00 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 3af5 h SER 164 Cb 1.31 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 3af5 h SER 164 CO 0.17 -0.09 -0.13 0.11 -0.87 0.00 0.00 176.83 176.03 3af5 h LYS 165 N 0.34 -0.35 0.20 4.77 6.56 -1.93 -2.06 116.57 124.10 3af5 h LYS 165 Ca 0.65 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.27 3af5 h LYS 165 Cb 1.37 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 33.10 3af5 h LYS 165 CO -0.59 -0.23 -0.19 -0.44 -2.06 0.00 0.00 179.45 175.93 3af5 h ASP 166 N -0.37 -0.52 -0.88 0.86 3.32 -1.65 -2.85 116.42 114.34 3af5 h ASP 166 Ca -0.04 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.11 3af5 h ASP 166 Cb 0.28 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 3af5 h ASP 166 CO 0.06 -0.29 0.55 -0.09 -1.72 0.00 0.00 179.24 177.76 3af5 h ARG 167 N -0.42 1.01 -0.41 3.56 2.43 -1.37 0.15 114.38 119.33 3af5 h ARG 167 Ca -0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3af5 h ARG 167 Cb 0.40 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3af5 h ARG 167 CO -0.05 0.67 0.14 -0.09 -1.51 0.00 0.00 179.97 179.14 3af5 h ARG 168 N 1.04 0.58 -0.06 0.20 2.43 -1.30 0.28 114.38 117.56 3af5 h ARG 168 Ca 0.37 -0.08 -0.25 0.00 -0.81 0.00 0.00 59.98 59.21 3af5 h ARG 168 Cb 0.10 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3af5 h ARG 168 CO -0.15 0.50 -0.94 -0.22 -1.51 0.00 0.00 179.97 177.65 3af5 h LYS 169 N 0.58 0.73 -0.45 0.20 3.64 -1.10 -2.89 116.57 117.28 3af5 h LYS 169 Ca 0.14 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3af5 h LYS 169 Cb 0.15 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3af5 h LYS 169 CO -0.01 1.29 0.29 0.35 -2.27 0.00 0.00 179.45 179.10 3af5 h PHE 170 N 0.45 0.57 0.00 1.91 3.57 0.01 -2.33 116.94 121.11 3af5 h PHE 170 Ca -0.10 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 3af5 h PHE 170 Cb 1.58 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 3af5 h PHE 170 CO 0.09 0.36 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.26 3af5 h LEU 171 N 0.60 0.00 -0.03 0.59 3.38 -0.47 -1.80 115.31 117.58 3af5 h LEU 171 Ca 0.16 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.87 3af5 h LEU 171 Cb -0.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.71 3af5 h LEU 171 CO -0.03 0.20 -1.01 0.03 0.09 0.00 0.00 178.44 177.72 3af5 h ARG 172 N 0.00 0.71 -0.32 1.13 3.08 -1.24 0.27 114.38 118.01 3af5 h ARG 172 Ca -0.00 -0.74 -0.02 0.00 0.07 0.00 0.00 59.98 59.29 3af5 h ARG 172 Cb 0.51 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3af5 h ARG 172 CO 0.03 1.31 0.11 1.96 -1.07 0.00 0.00 179.97 182.31 3af5 h GLN 173 N 0.41 0.49 -0.35 0.04 4.20 -1.12 -0.84 115.11 117.94 3af5 h GLN 173 Ca -0.12 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 3af5 h GLN 173 Cb 1.66 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.35 3af5 h GLN 173 CO 0.20 0.52 0.20 0.28 -0.67 0.00 0.00 178.83 179.36 3af5 h VAL 174 N 0.36 1.13 0.03 -0.54 2.07 -1.39 -1.81 116.25 116.10 3af5 h VAL 174 Ca 0.10 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3af5 h VAL 174 Cb 0.22 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3af5 h VAL 174 CO -0.01 0.13 -0.10 1.23 0.02 0.00 0.00 177.57 178.84 3af5 h GLY 175 N 0.45 -0.15 2.00 2.17 0.00 -1.19 0.19 103.07 106.54 3af5 h GLY 175 Ca 0.13 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 3af5 h GLY 175 CO -0.02 -0.11 -0.02 3.21 0.00 0.00 0.00 176.54 179.60 3af5 h ARG 176 N -0.20 0.00 0.00 4.80 3.08 -1.07 -2.27 114.38 118.73 3af5 h ARG 176 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3af5 h ARG 176 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3af5 h ARG 176 CO -0.08 0.02 -0.16 -0.97 -1.07 0.00 0.00 179.97 177.71 3af5 h ASN 177 N 0.00 0.00 -0.99 7.04 -0.73 -0.35 -3.07 115.58 117.48 3af5 h ASN 177 Ca -0.00 -0.85 0.12 0.00 1.87 0.00 0.00 56.30 57.44 3af5 h ASN 177 Cb 0.10 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.60 3af5 h ASN 177 CO 0.00 1.02 0.62 0.40 -0.37 0.00 0.00 177.43 179.10 3af5 h ILE 178 N -1.00 0.92 -0.95 2.57 2.04 -0.36 -1.83 117.51 118.91 3af5 h ILE 178 Ca -0.04 -0.34 -0.64 0.00 1.00 0.00 0.00 64.86 64.84 3af5 h ILE 178 Cb 0.95 -0.15 -0.31 0.00 -0.74 0.00 0.00 36.82 36.58 3af5 h ILE 178 CO -0.03 0.18 0.55 -1.22 0.00 0.00 0.00 178.15 177.63 3af5 n TYR 179 N -4.63 3.12 0.31 1.37 4.01 -0.88 -2.91 117.16 117.54 3af5 n TYR 179 Ca 0.18 -2.83 0.13 0.00 -0.16 0.00 0.00 57.90 55.22 3af5 n TYR 179 Cb 0.35 -1.23 0.59 0.00 -0.31 0.00 0.00 39.34 38.74 3af5 n TYR 179 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 3af5 h ARG 180 N 1.99 0.00 -2.64 -0.72 0.11 -1.22 -3.35 114.38 108.55 3af5 h ARG 180 Ca 0.56 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.65 3af5 h ARG 180 Cb 1.02 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.96 3af5 h ARG 180 CO 1.42 0.00 0.29 -1.59 0.10 0.00 0.00 179.97 180.19 3af5 s LYS 181 N -3.48 1.11 1.15 0.08 -2.85 -1.26 -1.07 119.74 113.43 3af5 s LYS 181 Ca 0.01 -0.31 -0.15 0.00 -1.00 0.00 0.00 55.97 54.52 3af5 s LYS 181 Cb 0.08 0.51 0.27 0.00 -2.06 0.00 0.00 37.83 36.64 3af5 s LYS 181 CO 0.35 -0.47 1.05 -1.25 0.10 0.00 0.00 175.35 175.13 3af5 s PRO 182 N -3.16 -0.82 -0.26 1.78 0.04 -1.26 -4.69 135.00 126.63 3af5 s PRO 182 Ca 0.00 0.47 -0.41 0.00 0.04 0.00 0.00 61.00 61.10 3af5 s PRO 182 Cb -0.01 -1.60 -0.17 0.00 0.04 0.00 0.00 34.50 32.76 3af5 s PRO 182 CO -0.09 -3.56 1.61 0.39 0.04 0.00 0.00 177.00 175.40 3af5 n GLU 183 N -4.75 0.81 -4.95 4.56 1.02 -1.26 -4.87 120.64 111.20 3af5 n GLU 183 Ca 0.06 0.29 -0.32 0.00 -0.02 0.00 0.00 57.16 57.17 3af5 n GLU 183 Cb 0.57 -1.92 -0.13 0.00 -0.02 0.00 0.00 31.44 29.94 3af5 n GLU 183 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3af5 s TYR 184 N 2.78 2.65 -0.34 -0.32 5.04 -0.73 -5.03 117.35 121.40 3af5 s TYR 184 Ca 0.98 -0.20 -0.17 0.00 -2.44 0.00 0.00 57.07 55.24 3af5 s TYR 184 Cb -1.17 -1.61 -0.01 0.00 0.35 0.00 0.00 41.96 39.52 3af5 s TYR 184 CO 0.66 0.16 0.46 0.21 -1.34 0.00 0.00 175.55 175.70 3af5 s LYS 185 N -0.73 3.65 0.43 4.97 2.20 -1.26 -4.37 119.74 124.63 3af5 s LYS 185 Ca 0.11 -0.20 -0.25 0.00 -0.36 0.00 0.00 55.97 55.28 3af5 s LYS 185 Cb -0.11 -3.79 -0.10 0.00 -1.51 0.00 0.00 37.83 32.33 3af5 s LYS 185 CO 0.00 -0.56 1.13 0.43 -0.36 0.00 0.00 175.35 175.99 3af5 n SER 186 N 5.59 1.83 -0.01 1.43 7.64 -1.26 -4.93 113.62 123.91 3af5 n SER 186 Ca -0.06 1.06 -0.14 0.00 1.01 0.00 0.00 58.87 60.73 3af5 n SER 186 Cb 0.49 -1.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.13 3af5 n SER 186 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3af5 n ARG 187 N 0.02 0.69 -3.64 1.43 0.63 -1.26 -4.86 116.66 109.67 3af5 n ARG 187 Ca 0.08 0.29 -0.10 0.00 -0.92 0.00 0.00 57.85 57.20 3af5 n ARG 187 Cb 0.40 -1.76 -0.05 0.00 0.45 0.00 0.00 32.46 31.50 3af5 n ARG 187 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 3af5 s TRP 188 N -2.58 -0.19 -0.05 -0.14 1.48 -1.26 -5.02 118.94 111.17 3af5 s TRP 188 Ca -0.12 -0.12 -0.03 0.00 -1.06 0.00 0.00 56.10 54.77 3af5 s TRP 188 Cb 0.07 0.25 0.02 0.00 -1.16 0.00 0.00 33.47 32.65 3af5 s TRP 188 CO 0.80 -0.69 0.12 0.42 -4.06 0.00 0.00 176.95 173.54 3af5 s ILE 189 N -3.78 -0.02 0.00 0.66 1.01 -1.26 -3.36 121.20 114.46 3af5 s ILE 189 Ca 0.03 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 3af5 s ILE 189 Cb 0.02 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.31 3af5 s ILE 189 CO -0.12 0.03 0.14 -0.13 0.00 0.00 0.00 174.94 174.86 3af5 s ARG 190 N 0.53 0.49 -0.07 2.79 0.52 0.18 0.38 118.95 123.76 3af5 s ARG 190 Ca -0.04 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.80 3af5 s ARG 190 Cb -0.05 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.62 3af5 s ARG 190 CO -0.02 -0.12 -0.19 0.96 0.02 0.00 0.00 175.30 175.95 3af5 s ILE 191 N -1.41 1.60 -0.10 1.52 -4.36 -0.40 -0.35 121.20 117.70 3af5 s ILE 191 Ca -0.15 -0.78 0.03 0.00 -0.26 0.00 0.00 60.65 59.50 3af5 s ILE 191 Cb -0.08 -1.39 -0.00 0.00 1.25 0.00 0.00 42.46 42.24 3af5 s ILE 191 CO 0.02 0.46 -0.22 -0.89 0.24 0.00 0.00 174.94 174.54 3af5 s THR 192 N 0.29 2.26 -0.37 8.37 2.01 -0.30 -0.82 115.64 127.07 3af5 s THR 192 Ca -0.11 -0.95 -0.23 0.00 0.31 0.00 0.00 61.69 60.70 3af5 s THR 192 Cb -0.15 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.50 3af5 s THR 192 CO 0.05 0.55 0.78 -0.83 -0.69 0.00 0.00 174.62 174.48 3af5 s GLY 193 N 0.29 1.65 0.01 4.40 0.00 -1.08 -0.51 107.32 112.08 3af5 s GLY 193 Ca -0.16 -0.68 0.23 0.00 0.00 0.00 0.00 44.72 44.11 3af5 s GLY 193 CO 0.08 1.76 1.13 1.04 0.00 0.00 0.00 173.10 177.10 3af5 n LEU 194 N 6.44 0.69 0.00 0.66 4.77 0.10 -0.20 117.00 129.47 3af5 n LEU 194 Ca 0.03 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3af5 n LEU 194 Cb 0.48 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3af5 n LEU 194 CO 0.54 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3af5 n GLY 195 N 1.46 1.39 0.49 -0.72 0.00 -0.92 -0.69 105.19 106.20 3af5 n GLY 195 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3af5 n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3af5 n GLY 196 N -0.13 0.86 3.63 -0.02 0.00 -1.15 -0.25 105.19 108.13 3af5 n GLY 196 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3af5 n GLY 196 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3af5 s PHE 197 N -2.05 3.26 -1.46 1.61 0.40 -1.26 -1.03 117.98 117.45 3af5 s PHE 197 Ca 0.00 0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.33 3af5 s PHE 197 Cb 0.00 -2.16 0.04 0.00 0.51 0.00 0.00 43.02 41.41 3af5 s PHE 197 CO 0.00 0.08 0.76 0.54 0.70 0.00 0.00 175.22 177.30 3af5 n ARG 198 N 3.92 -5.27 -3.59 0.44 1.74 -1.24 -4.09 116.66 108.57 3af5 n ARG 198 Ca -0.16 0.74 -0.04 0.00 -0.77 0.00 0.00 57.85 57.62 3af5 n ARG 198 Cb 0.52 -5.61 -0.02 0.00 -1.02 0.00 0.00 32.46 26.33 3af5 n ARG 198 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3af5 s GLU 199 N -6.07 0.55 -0.23 5.56 -1.05 0.11 -3.44 118.70 114.13 3af5 s GLU 199 Ca 0.45 -0.24 -0.05 0.00 -0.15 0.00 0.00 54.97 54.99 3af5 s GLU 199 Cb -0.21 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.69 3af5 s GLU 199 CO 0.56 -0.24 -0.02 0.08 0.95 0.00 0.00 175.26 176.59 3af5 s VAL 200 N -2.68 3.59 0.00 1.83 1.01 -1.26 -2.26 120.40 120.63 3af5 s VAL 200 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3af5 s VAL 200 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3af5 s VAL 200 CO -0.05 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3af5 n GLY 201 N 4.83 4.33 4.19 4.51 0.00 -1.26 -4.98 105.19 116.80 3af5 n GLY 201 Ca -0.18 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 3af5 n GLY 201 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3af5 n ARG 202 N -1.73 -2.05 -1.69 1.61 1.85 -0.87 -2.93 116.66 110.85 3af5 n ARG 202 Ca 0.00 0.24 -0.43 0.00 -1.00 0.00 0.00 57.85 56.66 3af5 n ARG 202 Cb 0.00 -4.20 -0.03 0.00 -1.05 0.00 0.00 32.46 27.18 3af5 n ARG 202 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3af5 n SER 203 N -2.86 3.82 -3.52 2.89 7.64 -0.50 -3.27 113.62 117.82 3af5 n SER 203 Ca -0.24 1.02 -0.00 0.00 1.01 0.00 0.00 58.87 60.66 3af5 n SER 203 Cb 0.65 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 3af5 n SER 203 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3af5 s ALA 204 N 2.09 -2.06 -0.09 -0.43 0.00 0.66 -0.93 121.76 121.00 3af5 s ALA 204 Ca 0.80 2.17 0.01 0.00 0.00 0.00 0.00 51.96 54.95 3af5 s ALA 204 Cb -0.54 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 20.73 3af5 s ALA 204 CO 0.37 -1.03 -0.11 -1.17 0.00 0.00 0.00 175.76 173.81 3af5 s LEU 205 N 2.87 1.53 -0.35 0.00 0.20 -0.97 0.03 118.68 122.01 3af5 s LEU 205 Ca 0.02 -0.32 -0.14 0.00 0.69 0.00 0.00 54.13 54.37 3af5 s LEU 205 Cb -0.13 -0.88 -0.01 0.00 -0.43 0.00 0.00 46.19 44.74 3af5 s LEU 205 CO -0.19 -0.01 0.30 -0.22 -0.29 0.00 0.00 176.35 175.94 3af5 s LEU 206 N 1.02 4.53 -0.15 -0.68 2.96 0.33 -0.76 118.68 125.94 3af5 s LEU 206 Ca -0.07 -0.37 -0.17 0.00 -0.22 0.00 0.00 54.13 53.30 3af5 s LEU 206 Cb -0.15 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 3af5 s LEU 206 CO -0.01 -0.30 0.43 -0.69 -1.32 0.00 0.00 176.35 174.45 3af5 s VAL 207 N 1.87 5.21 0.01 1.68 1.01 0.25 -1.14 120.40 129.28 3af5 s VAL 207 Ca 0.09 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.94 3af5 s VAL 207 Cb -0.17 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3af5 s VAL 207 CO 0.11 0.32 -0.15 -1.10 0.00 0.00 0.00 175.10 174.28 3af5 s GLN 208 N 0.75 1.12 0.26 2.72 -0.21 0.53 -1.85 119.66 122.98 3af5 s GLN 208 Ca 0.23 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 54.98 3af5 s GLN 208 Cb -0.15 -1.11 -0.04 0.00 1.00 0.00 0.00 33.01 32.71 3af5 s GLN 208 CO 0.08 0.29 0.16 0.95 -2.12 0.00 0.00 175.29 174.66 3af5 s THR 209 N -0.57 0.15 -2.00 -0.19 -4.23 -0.82 -0.65 115.64 107.33 3af5 s THR 209 Ca 0.04 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.79 3af5 s THR 209 Cb -0.07 -2.52 0.66 0.00 1.34 0.00 0.00 72.50 71.91 3af5 s THR 209 CO 0.00 0.00 1.76 -0.90 -0.54 0.00 0.00 174.62 174.94 3af5 n ASP 210 N -0.69 0.00 0.00 3.99 5.68 -1.21 -3.50 116.55 120.82 3af5 n ASP 210 Ca 0.03 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.57 3af5 n ASP 210 Cb 0.65 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 3af5 n ASP 210 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3af5 n GLU 211 N -0.99 2.93 -4.39 0.11 4.07 -1.26 -5.04 120.64 116.07 3af5 n GLU 211 Ca 0.17 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 57.07 3af5 n GLU 211 Cb 0.08 -0.90 -0.09 0.00 -0.06 0.00 0.00 31.44 30.47 3af5 n GLU 211 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3af5 s SER 212 N -2.46 1.89 -0.20 4.31 0.01 -1.23 -4.99 113.70 111.03 3af5 s SER 212 Ca 0.00 -1.51 -0.07 0.00 1.31 0.00 0.00 55.95 55.68 3af5 s SER 212 Cb 0.00 0.27 0.09 0.00 0.21 0.00 0.00 66.02 66.59 3af5 s SER 212 CO 0.00 -0.81 0.42 -0.36 0.41 0.00 0.00 173.24 172.90 3af5 s PHE 213 N -3.50 -0.77 -0.01 2.43 0.08 -1.26 -1.95 117.98 113.01 3af5 s PHE 213 Ca 0.34 1.50 0.03 0.00 0.12 0.00 0.00 56.93 58.91 3af5 s PHE 213 Cb 0.06 0.30 -0.01 0.00 -0.57 0.00 0.00 43.02 42.81 3af5 s PHE 213 CO 0.16 -0.46 -0.08 0.14 -0.10 0.00 0.00 175.22 174.87 3af5 s VAL 214 N 2.42 0.66 -0.21 -0.44 -7.23 -0.77 -0.55 120.40 114.27 3af5 s VAL 214 Ca -0.03 -0.35 -0.08 0.00 -1.81 0.00 0.00 61.98 59.71 3af5 s VAL 214 Cb -0.11 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 3af5 s VAL 214 CO -0.13 0.19 0.08 -0.22 -0.31 0.00 0.00 175.10 174.71 3af5 s LEU 215 N -0.16 3.76 -0.38 1.32 2.96 0.77 -0.59 118.68 126.36 3af5 s LEU 215 Ca 0.03 0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 3af5 s LEU 215 Cb -0.04 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.73 3af5 s LEU 215 CO -0.00 0.09 0.19 -0.69 -1.32 0.00 0.00 176.35 174.62 3af5 s VAL 216 N 0.86 4.19 0.20 1.68 1.01 0.06 0.11 120.40 128.52 3af5 s VAL 216 Ca 0.04 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.86 3af5 s VAL 216 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3af5 s VAL 216 CO 0.03 -0.33 0.00 0.47 0.00 0.00 0.00 175.10 175.27 3af5 n ASP 217 N 4.90 -2.61 -2.74 3.32 8.00 0.18 -2.28 116.55 125.33 3af5 n ASP 217 Ca -0.11 0.52 -0.06 0.00 0.71 0.00 0.00 54.79 55.85 3af5 n ASP 217 Cb 0.44 -1.44 0.04 0.00 -0.02 0.00 0.00 41.12 40.14 3af5 n ASP 217 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3af5 n PHE 218 N -2.52 -2.99 -2.60 1.24 7.35 0.39 -4.13 117.46 114.20 3af5 n PHE 218 Ca -0.02 -1.42 -0.11 0.00 -0.76 0.00 0.00 57.45 55.14 3af5 n PHE 218 Cb 0.21 1.45 0.05 0.00 0.35 0.00 0.00 39.48 41.54 3af5 n PHE 218 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3af5 n GLY 219 N 2.12 1.06 3.37 7.13 0.00 -0.11 -1.06 105.19 117.70 3af5 n GLY 219 Ca 0.11 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 3af5 n GLY 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3af5 s VAL 220 N -1.25 1.23 -0.58 1.61 0.11 -0.79 -4.16 120.40 116.57 3af5 s VAL 220 Ca 0.32 -2.05 -0.01 0.00 -2.93 0.00 0.00 61.98 57.31 3af5 s VAL 220 Cb -0.02 -2.43 0.15 0.00 -1.53 0.00 0.00 36.38 32.54 3af5 s VAL 220 CO 0.21 -0.27 0.37 0.21 -3.33 0.00 0.00 175.10 172.29 3af5 s ASN 221 N -3.37 4.96 0.61 3.54 3.84 0.04 -2.05 114.94 122.51 3af5 s ASN 221 Ca 0.30 -2.86 0.32 0.00 0.21 0.00 0.00 52.86 50.82 3af5 s ASN 221 Cb 0.06 -1.79 1.84 0.00 -0.55 0.00 0.00 41.25 40.81 3af5 s ASN 221 CO 0.10 -0.33 2.18 -0.37 -2.79 0.00 0.00 177.10 175.89 3af5 h VAL 222 N 5.40 0.37 0.00 -5.21 -1.51 -1.93 0.73 116.25 114.10 3af5 h VAL 222 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3af5 h VAL 222 Cb 0.94 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 3af5 h VAL 222 CO 0.70 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.04 3af5 n ALA 223 N -2.25 1.67 -1.77 5.19 0.00 -1.26 -2.93 120.51 119.17 3af5 n ALA 223 Ca -0.01 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.57 3af5 n ALA 223 Cb 0.21 -1.39 0.13 0.00 0.00 0.00 0.00 19.45 18.40 3af5 n ALA 223 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3af5 n MET 224 N -2.24 0.98 -0.05 0.00 1.56 0.23 -4.59 117.12 113.02 3af5 n MET 224 Ca 0.02 -2.62 0.24 0.00 -0.27 0.00 0.00 57.70 55.08 3af5 n MET 224 Cb 0.23 -1.08 0.72 0.00 2.15 0.00 0.00 33.22 35.24 3af5 n MET 224 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3af5 h LEU 225 N 0.72 0.00 -0.19 -0.89 3.38 -1.40 -0.58 115.31 116.34 3af5 h LEU 225 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3af5 h LEU 225 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3af5 h LEU 225 CO 0.03 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.15 3af5 n ASN 226 N -3.97 0.38 -3.96 -0.43 3.02 -1.26 -4.41 115.26 104.63 3af5 n ASN 226 Ca 0.13 0.56 -0.30 0.00 -0.03 0.00 0.00 54.58 54.94 3af5 n ASN 226 Cb 0.82 -0.66 -0.14 0.00 -0.61 0.00 0.00 39.78 39.19 3af5 n ASN 226 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3af5 s ASP 227 N -3.72 4.46 0.59 6.41 3.68 -0.23 -4.97 116.67 122.89 3af5 s ASP 227 Ca 0.09 -2.57 0.29 0.00 2.13 0.00 0.00 52.55 52.49 3af5 s ASP 227 Cb 0.12 -1.57 1.50 0.00 -1.45 0.00 0.00 42.92 41.53 3af5 s ASP 227 CO 0.44 -0.31 1.93 1.55 0.13 0.00 0.00 175.17 178.92 3af5 h PRO 228 N 7.06 0.00 0.00 4.34 0.13 -1.79 0.24 132.00 141.98 3af5 h PRO 228 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3af5 h PRO 228 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 3af5 h PRO 228 CO 0.60 0.00 -0.10 -0.92 -0.23 0.00 0.00 178.00 177.35 3af5 h TYR 229 N 0.00 0.00 0.00 1.56 3.20 -1.92 -3.07 116.97 116.74 3af5 h TYR 229 Ca 0.20 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3af5 h TYR 229 Cb 1.07 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 3af5 h TYR 229 CO 0.00 0.10 -1.59 1.63 -1.64 0.00 0.00 178.16 176.66 3af5 n LYS 230 N -3.16 0.53 0.04 1.82 4.76 0.37 -4.63 118.16 117.90 3af5 n LYS 230 Ca 0.02 -0.11 -0.07 0.00 -2.87 0.00 0.00 58.31 55.29 3af5 n LYS 230 Cb 0.48 -1.30 -0.12 0.00 -1.84 0.00 0.00 35.03 32.25 3af5 n LYS 230 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3af5 h ALA 231 N 1.10 0.47 -2.53 7.82 0.00 -0.74 -3.43 119.26 121.95 3af5 h ALA 231 Ca -0.03 -1.05 -0.57 0.00 0.00 0.00 0.00 54.91 53.26 3af5 h ALA 231 Cb 0.68 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 3af5 h ALA 231 CO 0.00 1.33 -0.63 -0.06 0.00 0.00 0.00 179.25 179.88 3af5 s PHE 232 N -2.69 2.83 0.89 0.00 0.08 -1.16 -0.78 117.98 117.16 3af5 s PHE 232 Ca -0.00 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.78 3af5 s PHE 232 Cb 0.09 -1.32 0.13 0.00 -0.57 0.00 0.00 43.02 41.36 3af5 s PHE 232 CO 0.82 0.55 1.11 -2.14 -0.10 0.00 0.00 175.22 175.46 3af5 s PRO 233 N -3.34 1.26 -0.88 0.24 0.02 -1.26 -4.83 135.00 126.21 3af5 s PRO 233 Ca 0.30 1.22 -0.25 0.00 0.02 0.00 0.00 61.00 62.29 3af5 s PRO 233 Cb -0.08 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 3af5 s PRO 233 CO 0.20 -2.36 1.87 -1.01 -0.33 0.00 0.00 177.00 175.38 3af5 s HIS 234 N -2.77 1.88 -0.29 6.54 3.76 0.13 -4.75 115.29 119.80 3af5 s HIS 234 Ca 0.64 0.47 0.28 0.00 -0.15 0.00 0.00 55.06 56.30 3af5 s HIS 234 Cb -0.20 -4.13 1.07 0.00 1.11 0.00 0.00 32.58 30.42 3af5 s HIS 234 CO 0.58 -1.83 1.81 0.74 -0.85 0.00 0.00 174.74 175.19 3af5 h PHE 235 N 11.48 0.00 -0.16 1.40 0.04 -1.90 -2.61 116.94 125.19 3af5 h PHE 235 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3af5 h PHE 235 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 3af5 h PHE 235 CO 1.21 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 178.52 3af5 n ASP 236 N -2.61 1.01 -4.67 2.17 5.75 -1.26 -4.35 116.55 112.59 3af5 n ASP 236 Ca 0.02 -1.84 -0.43 0.00 -0.01 0.00 0.00 54.79 52.53 3af5 n ASP 236 Cb 0.30 -0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.26 3af5 n ASP 236 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3af5 s ALA 237 N -1.79 3.58 0.19 2.12 0.00 -0.99 -4.93 121.76 119.94 3af5 s ALA 237 Ca 0.20 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 3af5 s ALA 237 Cb 0.10 -3.56 0.15 0.00 0.00 0.00 0.00 23.12 19.81 3af5 s ALA 237 CO 0.15 -0.95 1.63 -1.35 0.00 0.00 0.00 175.76 175.23 3af5 h PRO 238 N 7.73 -0.07 -0.58 0.00 0.11 -1.91 -0.18 132.00 137.09 3af5 h PRO 238 Ca -0.29 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.85 3af5 h PRO 238 Cb 1.12 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3af5 h PRO 238 CO 0.93 -0.05 0.39 1.05 -0.21 0.00 0.00 178.00 180.10 3af5 h GLU 239 N -0.08 0.71 -0.09 1.05 9.09 -1.97 -0.95 114.58 122.35 3af5 h GLU 239 Ca 0.24 -0.04 -0.24 0.00 0.05 0.00 0.00 59.36 59.37 3af5 h GLU 239 Cb 0.44 -0.16 0.01 0.00 -1.65 0.00 0.00 28.75 27.40 3af5 h GLU 239 CO -0.55 0.47 -0.86 0.35 0.05 0.00 0.00 179.01 178.46 3af5 h PHE 240 N 0.73 1.05 -0.45 2.06 3.57 -1.54 -1.58 116.94 120.77 3af5 h PHE 240 Ca 0.22 -0.50 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 3af5 h PHE 240 Cb 0.00 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3af5 h PHE 240 CO -0.00 1.34 0.21 1.96 -2.23 0.00 0.00 178.31 179.59 3af5 h GLN 241 N 0.46 0.63 -0.29 1.11 1.08 -0.65 -1.43 115.11 116.01 3af5 h GLN 241 Ca -0.08 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 56.95 3af5 h GLN 241 Cb 1.51 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.81 3af5 h GLN 241 CO 0.17 0.50 -0.19 -0.92 -0.95 0.00 0.00 178.83 177.44 3af5 h TYR 242 N 0.64 0.76 -0.57 2.96 5.03 -1.03 -1.08 116.97 123.66 3af5 h TYR 242 Ca 0.16 -0.20 -0.03 0.00 2.58 0.00 0.00 58.73 61.23 3af5 h TYR 242 Cb 0.08 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 3af5 h TYR 242 CO 0.01 0.90 0.22 0.28 -1.32 0.00 0.00 178.16 178.25 3af5 h VAL 243 N 0.39 1.23 0.38 1.81 2.07 -0.81 -1.70 116.25 119.62 3af5 h VAL 243 Ca 0.06 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3af5 h VAL 243 Cb 0.73 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3af5 h VAL 243 CO 0.05 0.27 -0.18 -0.07 0.02 0.00 0.00 177.57 177.66 3af5 h LEU 244 N 0.79 -0.44 -1.91 2.57 3.38 -1.26 0.32 115.31 118.76 3af5 h LEU 244 Ca 0.19 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3af5 h LEU 244 Cb 0.21 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3af5 h LEU 244 CO -0.01 -0.01 0.25 0.03 0.09 0.00 0.00 178.44 178.79 3af5 h ARG 245 N -0.99 0.10 -0.02 1.13 3.08 -1.23 -1.14 114.38 115.31 3af5 h ARG 245 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3af5 h ARG 245 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3af5 h ARG 245 CO 0.09 0.06 -0.07 0.39 -1.07 0.00 0.00 179.97 179.37 3af5 n GLU 246 N -4.45 1.69 -3.27 0.04 -0.58 -0.64 -4.96 120.64 108.47 3af5 n GLU 246 Ca 0.05 -1.16 -0.17 0.00 -0.42 0.00 0.00 57.16 55.47 3af5 n GLU 246 Cb 0.37 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 29.82 3af5 n GLU 246 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3af5 n GLY 247 N 1.26 -0.16 0.87 0.62 0.00 -0.43 -4.95 105.19 102.41 3af5 n GLY 247 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 3af5 n GLY 247 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3af5 n LEU 248 N -3.75 2.87 -4.60 0.99 4.77 0.08 -4.90 117.00 112.46 3af5 n LEU 248 Ca -0.04 -1.20 -0.43 0.00 -0.03 0.00 0.00 56.01 54.31 3af5 n LEU 248 Cb 0.56 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 3af5 n LEU 248 CO 0.48 0.55 1.17 -0.22 -1.33 0.00 0.00 177.39 178.04 3af5 s LEU 249 N -1.53 3.63 0.13 2.23 2.96 -1.23 -4.20 118.68 120.67 3af5 s LEU 249 Ca 0.27 0.77 -0.07 0.00 -0.22 0.00 0.00 54.13 54.88 3af5 s LEU 249 Cb 0.18 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.26 3af5 s LEU 249 CO 0.26 -1.35 1.35 0.44 -1.32 0.00 0.00 176.35 175.73 3af5 h ASP 250 N 10.18 0.72 -5.02 3.68 3.32 -1.17 -3.45 116.42 124.68 3af5 h ASP 250 Ca -0.26 -0.49 0.10 0.00 0.02 0.00 0.00 57.03 56.40 3af5 h ASP 250 Cb 1.09 -0.22 -0.10 0.00 0.22 0.00 0.00 39.33 40.33 3af5 h ASP 250 CO 1.09 1.26 0.37 0.00 -1.72 0.00 0.00 179.24 180.25 3af5 s ALA 251 N -3.64 -1.58 -0.04 3.45 0.00 -1.21 -4.25 121.76 114.48 3af5 s ALA 251 Ca -0.08 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.21 3af5 s ALA 251 Cb 0.09 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.91 3af5 s ALA 251 CO 0.88 -0.90 -0.11 0.42 0.00 0.00 0.00 175.76 176.04 3af5 s ILE 252 N -3.49 1.00 -0.11 0.00 1.01 -0.87 -0.16 121.20 118.57 3af5 s ILE 252 Ca 0.08 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.31 3af5 s ILE 252 Cb -0.02 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.56 3af5 s ILE 252 CO -0.02 0.31 -0.20 -0.63 0.00 0.00 0.00 174.94 174.39 3af5 s ILE 253 N 0.33 1.86 -0.28 2.92 1.01 0.12 -0.27 121.20 126.89 3af5 s ILE 253 Ca -0.07 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 3af5 s ILE 253 Cb -0.12 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 3af5 s ILE 253 CO 0.02 0.51 0.09 -0.63 0.00 0.00 0.00 174.94 174.93 3af5 s ILE 254 N 0.67 4.24 0.15 2.92 -1.09 -0.88 0.49 121.20 127.70 3af5 s ILE 254 Ca -0.12 -0.39 -0.14 0.00 -2.23 0.00 0.00 60.65 57.77 3af5 s ILE 254 Cb -0.16 -3.08 0.04 0.00 -1.58 0.00 0.00 42.46 37.67 3af5 s ILE 254 CO 0.02 0.20 1.70 0.71 -1.23 0.00 0.00 174.94 176.35 3af5 h THR 255 N 5.67 1.22 -2.91 2.92 1.35 -1.87 -3.43 112.91 115.85 3af5 h THR 255 Ca -0.35 -0.69 0.06 0.00 -0.55 0.00 0.00 66.41 64.88 3af5 h THR 255 Cb 1.15 0.73 -0.07 0.00 -1.73 0.00 0.00 68.15 68.23 3af5 h THR 255 CO 0.60 0.26 0.26 -1.38 -0.25 0.00 0.00 175.52 175.00 3af5 s HIS 256 N -5.51 -0.26 -0.14 4.73 -3.43 -1.26 0.11 115.29 109.53 3af5 s HIS 256 Ca -0.13 -0.12 0.26 0.00 -0.80 0.00 0.00 55.06 54.28 3af5 s HIS 256 Cb 0.12 0.67 1.31 0.00 -1.43 0.00 0.00 32.58 33.24 3af5 s HIS 256 CO 0.78 -1.09 1.79 0.00 -2.00 0.00 0.00 174.74 174.22 3af5 h ALA 257 N 2.00 1.00 -2.92 -1.38 0.00 -1.87 -3.40 119.26 112.68 3af5 h ALA 257 Ca -0.23 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.12 3af5 h ALA 257 Cb 1.26 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.19 3af5 h ALA 257 CO 0.27 0.00 0.48 0.72 0.00 0.00 0.00 179.25 180.72 3af5 n HIS 258 N -2.42 1.95 0.27 0.00 8.25 -1.26 -4.47 115.22 117.54 3af5 n HIS 258 Ca -0.01 0.45 0.11 0.00 -0.26 0.00 0.00 57.72 58.01 3af5 n HIS 258 Cb 0.11 -2.32 0.76 0.00 1.12 0.00 0.00 29.99 29.66 3af5 n HIS 258 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3af5 h LEU 259 N 1.32 0.00 -1.31 2.41 3.38 -1.93 -0.97 115.31 118.22 3af5 h LEU 259 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3af5 h LEU 259 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3af5 h LEU 259 CO 0.56 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.19 3af5 n ASP 260 N -4.24 1.81 0.00 -0.43 5.68 -1.25 -0.20 116.55 117.91 3af5 n ASP 260 Ca -0.03 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 3af5 n ASP 260 Cb 0.10 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 3af5 n ASP 260 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3af5 n HIS 261 N 0.15 0.00 -0.64 2.11 8.25 -0.46 -1.40 115.22 123.22 3af5 n HIS 261 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3af5 n HIS 261 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3af5 n HIS 261 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3af5 h GLY 263 N 0.00 0.00 -0.49 0.00 0.00 -0.59 -2.30 103.07 99.69 3af5 h GLY 263 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3af5 h GLY 263 CO 0.00 0.00 -0.37 1.03 0.00 0.00 0.00 176.54 177.20 3af5 n MET 264 N -3.85 1.09 -0.12 4.80 2.81 -0.23 -4.48 117.12 117.14 3af5 n MET 264 Ca -0.00 -0.81 -0.05 0.00 -1.81 0.00 0.00 57.70 55.03 3af5 n MET 264 Cb 0.24 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.28 3af5 n MET 264 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3af5 h LEU 265 N 1.98 -0.51 0.00 4.03 5.85 -1.35 -1.03 115.31 124.28 3af5 h LEU 265 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3af5 h LEU 265 Cb 0.65 0.30 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3af5 h LEU 265 CO 0.00 -0.18 0.00 -0.81 -0.34 0.00 0.00 178.44 177.11 3af5 n PRO 266 N -5.34 0.00 0.07 5.25 -0.04 -1.26 -1.90 135.00 131.78 3af5 n PRO 266 Ca 0.02 0.22 -0.04 0.00 -0.04 0.00 0.00 63.50 63.67 3af5 n PRO 266 Cb 0.25 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.39 3af5 n PRO 266 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3af5 h TYR 267 N 0.00 0.36 -0.02 0.54 5.03 -1.47 -2.10 116.97 119.30 3af5 h TYR 267 Ca 0.00 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.19 3af5 h TYR 267 Cb 0.28 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.48 3af5 h TYR 267 CO 0.00 0.71 -0.07 -0.07 -1.32 0.00 0.00 178.16 177.41 3af5 h LEU 268 N 0.24 0.02 0.10 2.82 4.07 -1.33 -2.55 115.31 118.69 3af5 h LEU 268 Ca 0.02 -0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.65 3af5 h LEU 268 Cb 0.91 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 3af5 h LEU 268 CO 0.07 0.10 -1.70 -0.26 -1.08 0.00 0.00 178.44 175.57 3af5 h PHE 269 N 0.03 0.40 -0.84 1.13 0.04 -1.58 0.53 116.94 116.65 3af5 h PHE 269 Ca 0.01 -0.29 0.15 0.00 2.80 0.00 0.00 57.97 60.63 3af5 h PHE 269 Cb 0.14 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.17 3af5 h PHE 269 CO 0.00 1.45 0.42 -0.09 -0.60 0.00 0.00 178.31 179.49 3af5 h ARG 270 N 0.06 0.57 -0.66 1.51 2.43 -1.02 -0.93 114.38 116.33 3af5 h ARG 270 Ca -0.31 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3af5 h ARG 270 Cb 2.03 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 3af5 h ARG 270 CO 0.13 0.38 0.00 0.66 -1.51 0.00 0.00 179.97 179.62 3af5 n TYR 271 N -4.90 1.53 -4.08 2.20 4.01 -0.99 -4.96 117.16 109.96 3af5 n TYR 271 Ca 0.17 -0.60 -0.28 0.00 -0.16 0.00 0.00 57.90 57.03 3af5 n TYR 271 Cb 0.45 -0.26 -0.04 0.00 -0.31 0.00 0.00 39.34 39.18 3af5 n TYR 271 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3af5 n ASN 272 N 1.14 -0.31 -0.03 7.72 4.13 -0.36 -4.86 115.26 122.69 3af5 n ASN 272 Ca 0.26 -1.08 0.11 0.00 1.68 0.00 0.00 54.58 55.55 3af5 n ASN 272 Cb 0.90 -2.65 0.05 0.00 -1.54 0.00 0.00 39.78 36.55 3af5 n ASN 272 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3af5 n LEU 273 N -4.44 0.85 -3.63 3.41 4.77 0.16 -4.94 117.00 113.19 3af5 n LEU 273 Ca -0.27 -0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 55.27 3af5 n LEU 273 Cb 0.67 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 3af5 n LEU 273 CO 0.79 0.20 0.48 0.12 -1.33 0.00 0.00 177.39 177.65 3af5 s PHE 274 N -2.96 -0.73 -0.30 -1.77 5.36 -1.22 -4.82 117.98 111.55 3af5 s PHE 274 Ca 0.10 1.77 0.19 0.00 -0.96 0.00 0.00 56.93 58.03 3af5 s PHE 274 Cb 0.17 0.29 0.47 0.00 -0.34 0.00 0.00 43.02 43.61 3af5 s PHE 274 CO 0.78 -0.36 1.23 -0.40 -1.46 0.00 0.00 175.22 175.01 3af5 n ASP 275 N 2.56 0.47 -1.23 6.13 3.85 -1.26 -4.63 116.55 122.44 3af5 n ASP 275 Ca -0.14 -2.18 0.00 0.00 -0.71 0.00 0.00 54.79 51.76 3af5 n ASP 275 Cb 0.55 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 3af5 n ASP 275 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3af5 n GLY 276 N -0.82 2.35 3.85 6.12 0.00 -1.26 -5.05 105.19 110.38 3af5 n GLY 276 Ca -0.01 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 3af5 n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3af5 s PRO 277 N -0.17 4.01 -0.25 1.61 0.04 -1.26 -4.85 135.00 134.12 3af5 s PRO 277 Ca 0.00 0.64 0.01 0.00 0.04 0.00 0.00 61.00 61.69 3af5 s PRO 277 Cb 0.00 -2.52 0.04 0.00 0.04 0.00 0.00 34.50 32.06 3af5 s PRO 277 CO 0.00 0.21 -0.10 0.42 0.04 0.00 0.00 177.00 177.58 3af5 s ILE 278 N -1.90 2.44 -0.10 0.56 1.01 -0.16 -2.05 121.20 121.00 3af5 s ILE 278 Ca 0.52 -1.36 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 3af5 s ILE 278 Cb -0.11 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 3af5 s ILE 278 CO 0.18 0.09 0.34 -0.31 0.00 0.00 0.00 174.94 175.24 3af5 s TYR 279 N 1.20 3.56 0.06 3.97 1.51 0.62 -1.36 117.35 126.92 3af5 s TYR 279 Ca -0.04 0.74 -0.28 0.00 -1.01 0.00 0.00 57.07 56.48 3af5 s TYR 279 Cb -0.18 -2.31 0.09 0.00 -0.11 0.00 0.00 41.96 39.45 3af5 s TYR 279 CO -0.05 0.40 1.13 -0.08 -1.11 0.00 0.00 175.55 175.83 3af5 s THR 280 N -0.11 0.00 0.44 -0.71 -1.32 -1.16 -2.07 115.64 110.71 3af5 s THR 280 Ca 0.20 -0.43 -0.21 0.00 -1.21 0.00 0.00 61.69 60.04 3af5 s THR 280 Cb -0.14 -1.98 -0.10 0.00 -1.51 0.00 0.00 72.50 68.77 3af5 s THR 280 CO 0.07 0.00 0.96 0.42 -2.21 0.00 0.00 174.62 173.87 3af5 s THR 281 N -2.84 4.32 0.18 5.08 -4.23 -1.25 -1.33 115.64 115.56 3af5 s THR 281 Ca 0.13 1.42 -0.18 0.00 -1.18 0.00 0.00 61.69 61.89 3af5 s THR 281 Cb 0.02 -3.59 0.13 0.00 1.34 0.00 0.00 72.50 70.40 3af5 s THR 281 CO -0.01 -0.33 1.64 -0.65 -0.54 0.00 0.00 174.62 174.72 3af5 h PRO 282 N 1.80 -0.08 -0.90 3.99 0.11 -1.93 0.09 132.00 135.08 3af5 h PRO 282 Ca -0.49 0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.76 3af5 h PRO 282 Cb 1.19 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 3af5 h PRO 282 CO 0.61 -0.05 0.58 -1.35 -0.21 0.00 0.00 178.00 177.57 3af5 h PRO 283 N -0.08 0.71 -0.49 1.05 0.11 -1.92 -1.35 132.00 130.02 3af5 h PRO 283 Ca 0.22 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.18 3af5 h PRO 283 Cb 0.42 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3af5 h PRO 283 CO -0.51 0.47 -0.10 1.15 -0.21 0.00 0.00 178.00 178.80 3af5 h THR 284 N 0.73 1.27 -0.50 -1.15 2.02 -1.27 -0.35 112.91 113.66 3af5 h THR 284 Ca 0.45 -1.23 0.05 0.00 0.77 0.00 0.00 66.41 66.45 3af5 h THR 284 Cb 0.67 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 3af5 h THR 284 CO -0.21 0.43 0.24 -0.09 0.37 0.00 0.00 175.52 176.26 3af5 h ARG 285 N 0.79 0.45 -0.11 6.66 1.12 -0.22 0.54 114.38 123.61 3af5 h ARG 285 Ca 0.13 -0.03 -0.11 0.00 -1.11 0.00 0.00 59.98 58.86 3af5 h ARG 285 Cb 0.65 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 3af5 h ARG 285 CO 0.04 0.30 -0.37 -0.44 -3.11 0.00 0.00 179.97 176.39 3af5 h ASP 286 N 0.46 0.51 -0.43 -3.80 3.45 -1.28 -2.55 116.42 112.78 3af5 h ASP 286 Ca 0.22 -0.62 -0.06 0.00 0.43 0.00 0.00 57.03 57.00 3af5 h ASP 286 Cb 0.15 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 3af5 h ASP 286 CO -0.17 1.04 0.05 -0.07 -1.57 0.00 0.00 179.24 178.52 3af5 h LEU 287 N 0.01 0.76 0.08 1.55 3.38 -0.94 -1.97 115.31 118.18 3af5 h LEU 287 Ca -0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3af5 h LEU 287 Cb 1.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3af5 h LEU 287 CO 0.08 0.79 -0.04 -0.03 0.09 0.00 0.00 178.44 179.33 3af5 h MET 288 N 0.76 -0.10 -0.77 1.13 4.05 -0.92 0.97 114.93 120.04 3af5 h MET 288 Ca 0.16 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.66 3af5 h MET 288 Cb 0.38 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.14 3af5 h MET 288 CO 0.01 -0.01 0.45 0.28 0.23 0.00 0.00 176.91 177.87 3af5 h VAL 289 N -0.17 0.97 -0.20 -5.77 2.07 -1.30 -0.14 116.25 111.71 3af5 h VAL 289 Ca -0.01 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3af5 h VAL 289 Cb 0.14 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3af5 h VAL 289 CO 0.02 0.15 -0.04 0.25 0.02 0.00 0.00 177.57 177.96 3af5 h LEU 290 N 0.80 0.38 -1.18 2.57 5.85 -1.00 -2.07 115.31 120.65 3af5 h LEU 290 Ca 0.35 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3af5 h LEU 290 Cb 0.24 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3af5 h LEU 290 CO -0.20 0.65 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.09 3af5 h LEU 291 N 0.10 0.03 -0.32 2.25 3.38 -0.45 -0.58 115.31 119.72 3af5 h LEU 291 Ca 0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3af5 h LEU 291 Cb 0.49 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3af5 h LEU 291 CO 0.02 0.42 -0.36 1.56 0.09 0.00 0.00 178.44 180.18 3af5 h GLN 292 N 0.03 0.81 -0.34 1.13 4.20 -0.99 0.39 115.11 120.34 3af5 h GLN 292 Ca -0.00 -0.44 -0.05 0.00 0.06 0.00 0.00 58.65 58.22 3af5 h GLN 292 Cb 0.71 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3af5 h GLN 292 CO 0.05 1.08 0.02 0.87 -0.67 0.00 0.00 178.83 180.18 3af5 h LYS 293 N 0.59 0.59 -0.33 1.46 1.57 -1.18 -2.48 116.57 116.78 3af5 h LYS 293 Ca 0.05 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3af5 h LYS 293 Cb 0.94 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.14 3af5 h LYS 293 CO 0.09 0.69 -0.01 0.22 -0.57 0.00 0.00 179.45 179.87 3af5 h ASP 294 N 0.41 -0.15 0.20 0.86 -0.00 -1.01 -2.31 116.42 114.40 3af5 h ASP 294 Ca 0.10 0.08 0.01 0.00 -0.00 0.00 0.00 57.03 57.22 3af5 h ASP 294 Cb 0.41 0.14 -0.03 0.00 -0.00 0.00 0.00 39.33 39.85 3af5 h ASP 294 CO 0.01 -0.04 -0.33 0.15 -0.00 0.00 0.00 179.24 179.04 3af5 h PHE 295 N 0.08 -0.89 0.00 0.28 3.57 -0.66 -0.83 116.94 118.49 3af5 h PHE 295 Ca 0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3af5 h PHE 295 Cb 0.22 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3af5 h PHE 295 CO -0.24 -0.44 0.00 -0.84 -2.23 0.00 0.00 178.31 174.55 3af5 h ILE 296 N -0.60 0.00 0.13 1.41 3.07 -1.35 -2.23 117.51 117.94 3af5 h ILE 296 Ca 0.01 -0.38 -0.29 0.00 1.55 0.00 0.00 64.86 65.75 3af5 h ILE 296 Cb 0.59 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 3af5 h ILE 296 CO -0.14 0.00 -1.40 -0.33 -1.05 0.00 0.00 178.15 175.23 3af5 h GLU 297 N 0.00 0.28 -0.75 0.16 5.08 -0.94 -2.77 114.58 115.65 3af5 h GLU 297 Ca 0.00 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 3af5 h GLU 297 Cb 0.39 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3af5 h GLU 297 CO 0.00 1.19 0.33 0.82 -1.00 0.00 0.00 179.01 180.35 3af5 h ILE 298 N 0.08 1.25 -0.41 3.13 1.08 -0.73 -0.16 117.51 121.75 3af5 h ILE 298 Ca -0.19 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.53 3af5 h ILE 298 Cb 2.01 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 3af5 h ILE 298 CO 0.19 0.30 0.21 1.56 -0.69 0.00 0.00 178.15 179.73 3af5 h GLN 299 N 1.07 0.58 -0.33 2.37 4.20 -1.45 -2.62 115.11 118.91 3af5 h GLN 299 Ca 0.25 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 3af5 h GLN 299 Cb 0.16 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3af5 h GLN 299 CO -0.03 0.48 -0.34 1.96 -0.67 0.00 0.00 178.83 180.23 3af5 h GLN 300 N 0.52 0.75 0.00 1.46 4.20 -1.22 -0.66 115.11 120.16 3af5 h GLN 300 Ca 0.14 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3af5 h GLN 300 Cb 0.08 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3af5 h GLN 300 CO -0.02 0.98 0.00 0.66 -0.67 0.00 0.00 178.83 179.78 3af5 h SER 301 N 0.63 0.00 -0.49 1.46 4.64 -0.88 0.91 113.55 119.82 3af5 h SER 301 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3af5 h SER 301 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3af5 h SER 301 CO 0.08 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.63 3af5 n ASN 302 N -2.46 3.61 -0.44 4.97 3.02 -0.79 -4.95 115.26 118.22 3af5 n ASN 302 Ca -0.00 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.49 3af5 n ASN 302 Cb 0.13 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3af5 n ASN 302 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3af5 n GLY 303 N 1.56 0.82 3.87 7.41 0.00 0.31 -5.02 105.19 114.14 3af5 n GLY 303 Ca 0.21 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 3af5 n GLY 303 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3af5 s GLN 304 N -2.25 3.19 -0.25 1.61 -1.52 -0.32 -5.00 119.66 115.11 3af5 s GLN 304 Ca 0.00 -0.69 -0.29 0.00 -1.95 0.00 0.00 55.36 52.43 3af5 s GLN 304 Cb 0.00 -2.83 0.01 0.00 -0.22 0.00 0.00 33.01 29.97 3af5 s GLN 304 CO 0.00 0.52 1.11 0.34 -0.25 0.00 0.00 175.29 177.00 3af5 s ASP 305 N -3.05 6.99 0.60 5.90 2.15 -1.26 -3.82 116.67 124.18 3af5 s ASP 305 Ca 0.33 1.31 -0.20 0.00 0.43 0.00 0.00 52.55 54.42 3af5 s ASP 305 Cb -0.11 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 3af5 s ASP 305 CO 0.26 -0.78 1.30 -2.16 -0.17 0.00 0.00 175.17 173.62 3af5 s PRO 306 N 3.46 2.85 0.39 4.34 0.04 -1.26 -4.93 135.00 139.90 3af5 s PRO 306 Ca 0.47 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.68 3af5 s PRO 306 Cb -0.15 -2.02 0.79 0.00 0.04 0.00 0.00 34.50 33.15 3af5 s PRO 306 CO 0.12 -1.37 1.96 -0.07 0.04 0.00 0.00 177.00 177.67 3af5 h LEU 307 N 0.96 0.35 -8.26 -3.56 3.38 -1.94 -3.45 115.31 102.78 3af5 h LEU 307 Ca -0.51 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.26 3af5 h LEU 307 Cb 1.32 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 3af5 h LEU 307 CO 0.55 0.40 0.06 -0.72 0.09 0.00 0.00 178.44 178.81 3af5 s TYR 308 N -5.01 0.60 0.28 1.13 1.13 -1.26 -4.88 117.35 109.34 3af5 s TYR 308 Ca -0.07 -1.07 0.08 0.00 -1.41 0.00 0.00 57.07 54.61 3af5 s TYR 308 Cb 0.16 0.40 -0.06 0.00 -1.10 0.00 0.00 41.96 41.36 3af5 s TYR 308 CO 0.74 -1.38 -0.10 1.03 -2.51 0.00 0.00 175.55 173.32 3af5 s ARG 309 N -2.58 1.57 0.47 -3.49 1.81 -1.26 -4.89 118.95 110.57 3af5 s ARG 309 Ca 0.23 -1.77 0.29 0.00 -1.72 0.00 0.00 55.73 52.75 3af5 s ARG 309 Cb -0.03 -1.33 1.36 0.00 -0.45 0.00 0.00 34.95 34.50 3af5 s ARG 309 CO 0.16 0.12 1.74 -1.35 -0.68 0.00 0.00 175.30 175.30 3af5 h PRO 310 N 2.28 0.17 0.00 3.54 0.11 -1.99 0.40 132.00 136.51 3af5 h PRO 310 Ca -0.40 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 3af5 h PRO 310 Cb 1.24 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3af5 h PRO 310 CO 0.66 0.11 -0.08 0.07 -0.21 0.00 0.00 178.00 178.55 3af5 h ARG 311 N 0.17 0.00 0.13 1.05 0.11 -1.99 -0.18 114.38 113.68 3af5 h ARG 311 Ca 0.65 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.41 3af5 h ARG 311 Cb 2.11 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.19 3af5 h ARG 311 CO -0.20 0.08 -1.58 -0.44 0.10 0.00 0.00 179.97 177.93 3af5 h ASP 312 N 0.00 0.44 -0.29 0.08 3.32 -0.54 -2.74 116.42 116.69 3af5 h ASP 312 Ca -0.00 -0.63 -0.06 0.00 0.02 0.00 0.00 57.03 56.36 3af5 h ASP 312 Cb 0.17 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3af5 h ASP 312 CO 0.01 1.52 -0.01 0.40 -1.72 0.00 0.00 179.24 179.45 3af5 h ILE 313 N 0.08 1.22 -0.70 0.35 2.04 -1.20 -1.65 117.51 117.65 3af5 h ILE 313 Ca -0.27 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 3af5 h ILE 313 Cb 2.04 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 3af5 h ILE 313 CO 0.17 0.31 0.24 0.50 0.00 0.00 0.00 178.15 179.37 3af5 h LYS 314 N 0.60 1.08 -0.41 2.37 3.64 -1.08 -2.04 116.57 120.73 3af5 h LYS 314 Ca 0.12 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 3af5 h LYS 314 Cb 0.39 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3af5 h LYS 314 CO 0.02 0.92 0.07 0.93 -2.27 0.00 0.00 179.45 179.11 3af5 h GLU 315 N 1.02 0.62 -0.07 1.90 4.39 -1.04 -1.97 114.58 119.43 3af5 h GLU 315 Ca 0.23 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3af5 h GLU 315 Cb 0.28 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3af5 h GLU 315 CO -0.01 0.59 -0.05 0.28 -1.16 0.00 0.00 179.01 178.65 3af5 h VAL 316 N 0.60 0.84 -0.60 3.13 2.07 -0.63 -1.15 116.25 120.51 3af5 h VAL 316 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.72 3af5 h VAL 316 Cb 0.27 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 3af5 h VAL 316 CO 0.00 0.00 0.29 0.40 0.02 0.00 0.00 177.57 178.28 3af5 h ILE 317 N -0.06 0.90 0.00 4.57 2.04 -0.99 -1.47 117.51 122.50 3af5 h ILE 317 Ca 0.05 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3af5 h ILE 317 Cb 0.13 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3af5 h ILE 317 CO -0.10 0.10 -0.16 0.11 0.00 0.00 0.00 178.15 178.10 3af5 h LYS 318 N 0.54 0.00 -0.50 2.37 1.57 -0.89 -2.77 116.57 116.90 3af5 h LYS 318 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3af5 h LYS 318 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3af5 h LYS 318 CO -0.21 0.16 0.00 0.72 -0.57 0.00 0.00 179.45 179.54 3af5 n HIS 319 N -3.65 0.65 -3.46 -1.35 8.25 -0.48 -4.86 115.22 110.33 3af5 n HIS 319 Ca -0.01 -0.32 -0.37 0.00 -0.26 0.00 0.00 57.72 56.75 3af5 n HIS 319 Cb 0.28 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.32 3af5 n HIS 319 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3af5 s THR 320 N -1.35 5.26 -0.23 1.59 2.01 -0.83 -0.99 115.64 121.10 3af5 s THR 320 Ca 0.42 0.66 -0.02 0.00 0.31 0.00 0.00 61.69 63.06 3af5 s THR 320 Cb 0.23 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 69.07 3af5 s THR 320 CO 0.32 0.35 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.89 3af5 s ILE 321 N 0.68 2.93 0.22 1.82 1.01 -0.46 -4.93 121.20 122.47 3af5 s ILE 321 Ca 0.19 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 3af5 s ILE 321 Cb -0.14 -2.39 -0.07 0.00 0.01 0.00 0.00 42.46 39.87 3af5 s ILE 321 CO 0.06 0.34 0.53 0.42 0.00 0.00 0.00 174.94 176.29 3af5 s THR 322 N 1.38 4.96 0.01 2.92 -4.23 -1.26 -3.00 115.64 116.42 3af5 s THR 322 Ca 0.03 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.96 3af5 s THR 322 Cb -0.15 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 3af5 s THR 322 CO -0.05 -0.08 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.14 3af5 s LEU 323 N -2.85 2.09 0.55 4.79 1.02 -0.44 -4.92 118.68 118.92 3af5 s LEU 323 Ca 0.46 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.39 3af5 s LEU 323 Cb -0.11 -0.17 0.03 0.00 0.02 0.00 0.00 46.19 45.96 3af5 s LEU 323 CO 0.22 -0.04 0.78 -1.81 0.02 0.00 0.00 176.35 175.52 3af5 s ASP 324 N -0.58 5.34 0.72 2.29 1.01 -1.26 -3.80 116.67 120.38 3af5 s ASP 324 Ca -0.03 0.10 -0.16 0.00 0.71 0.00 0.00 52.55 53.17 3af5 s ASP 324 Cb -0.04 -1.02 0.01 0.00 1.01 0.00 0.00 42.92 42.88 3af5 s ASP 324 CO -0.00 -1.11 1.09 -1.22 0.21 0.00 0.00 175.17 174.14 3af5 n TYR 325 N -2.35 1.09 0.00 4.23 4.01 -1.26 -2.61 117.16 120.27 3af5 n TYR 325 Ca 0.07 0.40 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 3af5 n TYR 325 Cb 0.59 -2.13 0.00 0.00 -0.31 0.00 0.00 39.34 37.49 3af5 n TYR 325 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3af5 n GLY 326 N 0.96 2.67 3.62 2.72 0.00 -0.45 -4.94 105.19 109.77 3af5 n GLY 326 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3af5 n GLY 326 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3af5 s GLU 327 N 0.00 3.89 -0.09 1.61 2.02 -1.07 -4.95 118.70 120.11 3af5 s GLU 327 Ca 0.00 0.86 -0.22 0.00 0.02 0.00 0.00 54.97 55.62 3af5 s GLU 327 Cb 0.00 -3.83 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 3af5 s GLU 327 CO 0.00 -1.15 0.65 0.08 0.02 0.00 0.00 175.26 174.86 3af5 s VAL 328 N 4.10 5.07 0.01 2.63 1.01 -1.26 -4.35 120.40 127.62 3af5 s VAL 328 Ca 0.48 1.32 -0.00 0.00 0.00 0.00 0.00 61.98 63.78 3af5 s VAL 328 Cb -0.10 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3af5 s VAL 328 CO 0.24 0.26 -0.01 -0.13 0.00 0.00 0.00 175.10 175.45 3af5 s ARG 329 N 0.85 0.12 -0.09 2.72 1.81 -0.23 -4.96 118.95 119.16 3af5 s ARG 329 Ca 0.34 -0.23 -0.28 0.00 -1.72 0.00 0.00 55.73 53.84 3af5 s ARG 329 Cb -0.17 0.04 -0.02 0.00 -0.45 0.00 0.00 34.95 34.35 3af5 s ARG 329 CO 0.16 -0.02 0.95 -0.51 -0.68 0.00 0.00 175.30 175.19 3af5 s ASP 330 N -0.54 7.20 0.00 0.23 -0.00 -1.26 0.40 116.67 122.69 3af5 s ASP 330 Ca -0.06 1.47 0.07 0.00 -0.00 0.00 0.00 52.55 54.03 3af5 s ASP 330 Cb -0.04 -2.53 0.15 0.00 -0.00 0.00 0.00 42.92 40.50 3af5 s ASP 330 CO -0.00 -0.37 1.00 2.30 -0.00 0.00 0.00 175.17 178.10 3af5 n ILE 331 N 4.38 0.62 0.00 0.77 -5.35 -0.32 -4.70 119.36 114.76 3af5 n ILE 331 Ca 0.07 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 3af5 n ILE 331 Cb 0.49 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 3af5 n ILE 331 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3af5 n SER 332 N 0.26 0.00 -0.15 7.28 3.41 -1.19 -4.79 113.62 118.45 3af5 n SER 332 Ca 0.06 0.00 0.23 0.00 -0.26 0.00 0.00 58.87 58.91 3af5 n SER 332 Cb 0.30 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.90 3af5 n SER 332 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3af5 h PRO 333 N 0.00 0.12 0.00 4.33 0.11 -1.80 -3.02 132.00 131.73 3af5 h PRO 333 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3af5 h PRO 333 Cb 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3af5 h PRO 333 CO 0.00 0.08 -0.19 -0.40 -0.21 0.00 0.00 178.00 177.28 3af5 n ASP 334 N -4.37 1.58 -3.69 -2.05 5.75 -1.26 -1.77 116.55 110.74 3af5 n ASP 334 Ca 0.16 -2.76 -0.18 0.00 -0.01 0.00 0.00 54.79 51.99 3af5 n ASP 334 Cb 0.78 -0.36 -0.17 0.00 -1.03 0.00 0.00 41.12 40.34 3af5 n ASP 334 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3af5 s ILE 335 N -1.96 -0.11 -0.10 2.12 1.01 -1.14 0.13 121.20 121.15 3af5 s ILE 335 Ca 0.22 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.26 3af5 s ILE 335 Cb 0.20 -0.15 -0.01 0.00 0.01 0.00 0.00 42.46 42.50 3af5 s ILE 335 CO 0.01 0.15 -0.16 -0.13 0.00 0.00 0.00 174.94 174.82 3af5 s ARG 336 N 1.90 3.09 0.07 2.79 0.52 -0.34 -1.18 118.95 125.80 3af5 s ARG 336 Ca 0.01 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 3af5 s ARG 336 Cb -0.12 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 3af5 s ARG 336 CO -0.03 0.30 0.16 -1.17 0.02 0.00 0.00 175.30 174.58 3af5 s LEU 337 N 0.09 4.14 -0.18 2.53 2.96 0.16 -0.64 118.68 127.75 3af5 s LEU 337 Ca -0.07 0.16 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 3af5 s LEU 337 Cb -0.15 -2.77 0.07 0.00 0.50 0.00 0.00 46.19 43.84 3af5 s LEU 337 CO 0.05 0.17 0.42 -0.89 -1.32 0.00 0.00 176.35 174.78 3af5 s THR 338 N -1.46 -0.15 -0.02 3.68 2.01 -0.90 -1.07 115.64 117.74 3af5 s THR 338 Ca 0.33 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 3af5 s THR 338 Cb -0.13 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 3af5 s THR 338 CO 0.25 0.04 0.14 -0.76 -0.69 0.00 0.00 174.62 173.61 3af5 s LEU 339 N 1.65 4.18 0.07 4.42 1.43 -1.26 -1.38 118.68 127.78 3af5 s LEU 339 Ca -0.08 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3af5 s LEU 339 Cb -0.09 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3af5 s LEU 339 CO -0.13 0.28 -0.09 -1.00 0.23 0.00 0.00 176.35 175.64 3af5 s HIS 340 N -1.25 0.85 0.27 0.29 3.76 -0.79 -1.34 115.29 117.08 3af5 s HIS 340 Ca 0.25 -0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 54.25 3af5 s HIS 340 Cb -0.12 -0.49 -0.12 0.00 1.11 0.00 0.00 32.58 32.95 3af5 s HIS 340 CO 0.16 -0.06 1.52 -1.71 -0.85 0.00 0.00 174.74 173.80 3af5 n ASN 341 N 0.98 3.44 -0.00 1.40 2.85 -1.26 0.37 115.26 123.03 3af5 n ASN 341 Ca -0.19 1.15 0.06 0.00 -0.11 0.00 0.00 54.58 55.48 3af5 n ASN 341 Cb 0.56 -1.53 -0.07 0.00 1.24 0.00 0.00 39.78 39.98 3af5 n ASN 341 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3af5 n ALA 342 N 2.04 3.44 -2.57 5.20 0.00 -0.68 -1.39 120.51 126.56 3af5 n ALA 342 Ca 0.10 -0.34 -0.19 0.00 0.00 0.00 0.00 53.44 53.01 3af5 n ALA 342 Cb 0.35 -0.44 -0.00 0.00 0.00 0.00 0.00 19.45 19.36 3af5 n ALA 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3af5 n GLY 343 N 1.35 -0.50 0.11 0.00 0.00 -1.26 -0.87 105.19 104.02 3af5 n GLY 343 Ca 0.02 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 3af5 n GLY 343 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3af5 n HIS 344 N -3.96 0.35 -3.85 1.61 -0.00 -1.26 -3.76 115.22 104.34 3af5 n HIS 344 Ca -0.19 0.15 -0.09 0.00 0.46 0.00 0.00 57.72 58.05 3af5 n HIS 344 Cb 0.65 -0.85 -0.04 0.00 -0.12 0.00 0.00 29.99 29.63 3af5 n HIS 344 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 3af5 s ILE 345 N -2.55 0.02 -0.20 3.57 -4.36 -1.26 -4.81 121.20 111.62 3af5 s ILE 345 Ca -0.31 -1.06 -0.42 0.00 -0.26 0.00 0.00 60.65 58.61 3af5 s ILE 345 Cb 0.08 -1.84 -0.18 0.00 1.25 0.00 0.00 42.46 41.77 3af5 s ILE 345 CO 0.45 -0.09 1.43 -0.11 0.24 0.00 0.00 174.94 176.86 3af5 n LEU 346 N -0.35 1.20 0.00 0.37 7.94 -1.26 -0.56 117.00 124.33 3af5 n LEU 346 Ca -0.06 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 3af5 n LEU 346 Cb 0.62 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.56 3af5 n LEU 346 CO 0.19 -1.10 0.00 0.61 -1.11 0.00 0.00 177.39 175.98 3af5 n GLY 347 N 3.05 1.61 3.74 -3.96 0.00 -1.26 -4.57 105.19 103.79 3af5 n GLY 347 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3af5 n GLY 347 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3af5 n SER 348 N 0.00 3.96 -4.34 1.61 3.41 0.28 -4.66 113.62 113.88 3af5 n SER 348 Ca 0.00 1.12 -0.21 0.00 -0.26 0.00 0.00 58.87 59.52 3af5 n SER 348 Cb 0.00 -1.60 -0.11 0.00 -0.26 0.00 0.00 64.21 62.25 3af5 n SER 348 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3af5 s ALA 349 N 0.37 2.02 -0.21 7.33 0.00 0.12 -1.68 121.76 129.70 3af5 s ALA 349 Ca 0.67 -1.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 3af5 s ALA 349 Cb -0.49 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3af5 s ALA 349 CO 0.43 0.18 0.07 0.42 0.00 0.00 0.00 175.76 176.86 3af5 s ILE 350 N -2.36 4.61 -0.16 0.00 1.01 0.16 -4.60 121.20 119.85 3af5 s ILE 350 Ca 0.18 -0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.52 3af5 s ILE 350 Cb -0.04 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 3af5 s ILE 350 CO 0.07 0.41 0.68 -0.69 0.00 0.00 0.00 174.94 175.41 3af5 s VAL 351 N 0.85 5.01 -0.25 2.92 1.01 0.14 -1.89 120.40 128.18 3af5 s VAL 351 Ca 0.04 1.32 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 3af5 s VAL 351 Cb -0.14 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.27 3af5 s VAL 351 CO 0.02 0.13 -0.05 -2.28 0.00 0.00 0.00 175.10 172.93 3af5 s HIS 352 N 1.66 3.07 -0.25 5.22 2.46 -0.48 0.36 115.29 127.32 3af5 s HIS 352 Ca 0.32 -1.45 -0.08 0.00 0.47 0.00 0.00 55.06 54.32 3af5 s HIS 352 Cb -0.16 -2.08 -0.04 0.00 -0.13 0.00 0.00 32.58 30.17 3af5 s HIS 352 CO 0.12 -0.70 0.10 -0.51 -2.47 0.00 0.00 174.74 171.28 3af5 s LEU 353 N 1.35 3.62 -0.38 8.88 1.43 -0.02 -2.11 118.68 131.46 3af5 s LEU 353 Ca 0.01 -0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 3af5 s LEU 353 Cb -0.16 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.09 3af5 s LEU 353 CO -0.04 -0.01 0.63 -2.28 0.23 0.00 0.00 176.35 174.88 3af5 s HIS 354 N 1.50 3.13 -0.16 0.29 5.65 0.18 -2.45 115.29 123.43 3af5 s HIS 354 Ca 0.06 0.23 -0.03 0.00 0.25 0.00 0.00 55.06 55.57 3af5 s HIS 354 Cb -0.15 -3.18 -0.02 0.00 -1.18 0.00 0.00 32.58 28.05 3af5 s HIS 354 CO 0.05 -0.69 -0.07 0.42 -0.65 0.00 0.00 174.74 173.80 3af5 s ILE 355 N 2.72 3.48 0.00 0.89 1.01 -1.26 -1.20 121.20 126.83 3af5 s ILE 355 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3af5 s ILE 355 Cb -0.14 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.81 3af5 s ILE 355 CO 0.16 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.19 3af5 n GLY 356 N 3.84 1.37 0.17 6.18 0.00 0.12 -1.66 105.19 115.22 3af5 n GLY 356 Ca -0.18 0.50 0.05 0.00 0.00 0.00 0.00 46.02 46.39 3af5 n GLY 356 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3af5 h ASN 357 N 0.00 0.00 0.00 1.61 7.08 -1.89 -3.45 115.58 118.93 3af5 h ASN 357 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3af5 h ASN 357 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 3af5 h ASN 357 CO 0.00 0.40 0.00 0.61 -2.08 0.00 0.00 177.43 176.36 3af5 n GLY 358 N 0.69 0.36 0.42 9.14 0.00 -0.66 -4.93 105.19 110.20 3af5 n GLY 358 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3af5 n GLY 358 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3af5 n LEU 359 N 0.00 1.30 -2.71 0.99 4.32 -1.26 -4.14 117.00 115.49 3af5 n LEU 359 Ca 0.00 -0.44 -0.03 0.00 -0.02 0.00 0.00 56.01 55.53 3af5 n LEU 359 Cb 0.00 -0.00 0.05 0.00 -1.62 0.00 0.00 43.42 41.84 3af5 n LEU 359 CO 0.00 0.22 0.01 1.41 -1.22 0.00 0.00 177.39 177.81 3af5 n HIS 360 N 0.02 1.40 -1.89 -1.77 8.25 -1.26 -4.80 115.22 115.17 3af5 n HIS 360 Ca 0.20 -2.11 -0.38 0.00 -0.26 0.00 0.00 57.72 55.17 3af5 n HIS 360 Cb 0.32 -0.24 0.03 0.00 1.12 0.00 0.00 29.99 31.22 3af5 n HIS 360 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3af5 s ASN 361 N -3.74 5.44 -0.05 0.41 0.02 -1.26 -4.73 114.94 111.03 3af5 s ASN 361 Ca 0.30 2.65 0.06 0.00 -1.02 0.00 0.00 52.86 54.85 3af5 s ASN 361 Cb 0.33 -2.63 -0.01 0.00 0.02 0.00 0.00 41.25 38.96 3af5 s ASN 361 CO -0.03 -1.45 -0.23 -0.63 0.02 0.00 0.00 177.10 174.78 3af5 s ILE 362 N -1.36 1.90 -0.18 0.60 1.01 -1.03 -0.64 121.20 121.51 3af5 s ILE 362 Ca 0.70 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 3af5 s ILE 362 Cb -0.38 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.49 3af5 s ILE 362 CO 0.44 0.53 -0.15 0.00 0.00 0.00 0.00 174.94 175.76 3af5 s ALA 363 N -0.18 2.47 -0.31 9.38 0.00 0.24 -0.84 121.76 132.53 3af5 s ALA 363 Ca -0.02 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 3af5 s ALA 363 Cb -0.13 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.73 3af5 s ALA 363 CO 0.03 -0.27 0.08 0.42 0.00 0.00 0.00 175.76 176.02 3af5 s ILE 364 N 1.18 3.75 0.29 0.00 1.01 0.16 -0.56 121.20 127.03 3af5 s ILE 364 Ca 0.02 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 3af5 s ILE 364 Cb -0.14 -3.04 0.17 0.00 0.01 0.00 0.00 42.46 39.46 3af5 s ILE 364 CO -0.07 -0.05 1.85 0.00 0.00 0.00 0.00 174.94 176.68 3af5 h THR 365 N 6.07 1.21 0.00 2.92 1.03 -1.31 0.40 112.91 123.23 3af5 h THR 365 Ca -0.27 -0.74 0.00 0.00 -0.01 0.00 0.00 66.41 65.39 3af5 h THR 365 Cb 1.10 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 3af5 h THR 365 CO 0.60 0.28 0.00 0.61 -0.01 0.00 0.00 175.52 177.00 3af5 n GLY 366 N -0.94 1.27 3.88 2.99 0.00 -1.26 -4.42 105.19 106.70 3af5 n GLY 366 Ca 0.04 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 3af5 n GLY 366 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3af5 s ASP 367 N -4.00 6.49 0.09 1.61 -0.00 -1.26 -4.16 116.67 115.44 3af5 s ASP 367 Ca 0.00 0.56 -0.10 0.00 -0.00 0.00 0.00 52.55 53.01 3af5 s ASP 367 Cb 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 42.92 40.83 3af5 s ASP 367 CO 0.00 0.30 0.22 0.72 -0.00 0.00 0.00 175.17 176.40 3af5 s PHE 368 N -1.22 0.10 -0.06 4.23 -0.71 -1.26 -4.56 117.98 114.49 3af5 s PHE 368 Ca 0.24 -0.50 0.03 0.00 -1.04 0.00 0.00 56.93 55.66 3af5 s PHE 368 Cb -0.13 -0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.67 3af5 s PHE 368 CO 0.13 -0.55 -0.14 0.21 -1.34 0.00 0.00 175.22 173.53 3af5 s LYS 369 N -3.76 1.74 -0.32 1.99 2.47 -0.05 -1.39 119.74 120.42 3af5 s LYS 369 Ca 0.04 -0.47 0.08 0.00 -1.56 0.00 0.00 55.97 54.07 3af5 s LYS 369 Cb 0.04 -1.44 0.54 0.00 -1.46 0.00 0.00 37.83 35.51 3af5 s LYS 369 CO -0.11 0.08 1.55 0.34 0.16 0.00 0.00 175.35 177.38 3af5 n PHE 370 N 3.64 1.46 -4.00 4.03 7.35 -1.26 -0.65 117.46 128.03 3af5 n PHE 370 Ca -0.21 -1.62 -0.08 0.00 -0.76 0.00 0.00 57.45 54.77 3af5 n PHE 370 Cb 0.52 -0.57 -0.09 0.00 0.35 0.00 0.00 39.48 39.69 3af5 n PHE 370 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3af5 s ILE 371 N -3.24 0.16 0.66 -2.13 -4.36 -1.26 -4.82 121.20 106.21 3af5 s ILE 371 Ca 0.47 -1.54 -0.13 0.00 -0.26 0.00 0.00 60.65 59.19 3af5 s ILE 371 Cb 0.42 -1.56 -0.00 0.00 1.25 0.00 0.00 42.46 42.56 3af5 s ILE 371 CO 0.02 -0.71 1.07 -2.84 0.24 0.00 0.00 174.94 172.72 3af5 s PRO 372 N -3.92 2.94 0.31 0.37 0.02 -1.26 -3.84 135.00 129.61 3af5 s PRO 372 Ca 0.10 1.16 0.05 0.00 0.02 0.00 0.00 61.00 62.33 3af5 s PRO 372 Cb 0.06 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 3af5 s PRO 372 CO -0.08 -1.11 0.17 0.25 -0.33 0.00 0.00 177.00 175.90 3af5 n THR 373 N -2.66 0.00 -0.08 0.99 -2.24 -0.28 -4.97 114.28 105.03 3af5 n THR 373 Ca 0.09 -1.97 -0.10 0.00 -2.27 0.00 0.00 64.05 59.79 3af5 n THR 373 Cb 0.53 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 3af5 n THR 373 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3af5 h ARG 374 N 0.00 0.40 0.00 -0.78 2.47 -1.97 -3.30 114.38 111.20 3af5 h ARG 374 Ca -0.23 -0.06 -0.19 0.00 -1.26 0.00 0.00 59.98 58.24 3af5 h ARG 374 Cb 0.99 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.21 3af5 h ARG 374 CO 0.35 0.39 -1.45 1.28 0.56 0.00 0.00 179.97 181.10 3af5 n LEU 375 N -4.80 0.87 -4.36 3.04 4.77 -1.26 -4.77 117.00 110.50 3af5 n LEU 375 Ca -0.02 0.39 -0.18 0.00 -0.03 0.00 0.00 56.01 56.16 3af5 n LEU 375 Cb 0.10 0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 3af5 n LEU 375 CO 0.35 0.18 -0.32 -0.76 -1.33 0.00 0.00 177.39 175.51 3af5 s LEU 376 N -5.83 2.22 0.14 2.23 1.43 -1.24 -0.58 118.68 117.05 3af5 s LEU 376 Ca -0.03 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 51.87 3af5 s LEU 376 Cb 0.09 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 3af5 s LEU 376 CO 0.81 -0.50 0.16 -1.61 0.23 0.00 0.00 176.35 175.44 3af5 s GLU 377 N -3.85 3.04 0.61 1.70 2.02 -1.26 -1.13 118.70 119.83 3af5 s GLU 377 Ca 0.30 -0.76 -0.18 0.00 0.02 0.00 0.00 54.97 54.35 3af5 s GLU 377 Cb 0.06 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.49 3af5 s GLU 377 CO 0.10 0.51 0.87 -0.35 0.02 0.00 0.00 175.26 176.42 3af5 n PRO 378 N -0.22 0.76 -1.63 0.39 -0.04 -1.25 -4.02 135.00 128.98 3af5 n PRO 378 Ca -0.08 0.30 -0.38 0.00 -0.04 0.00 0.00 63.50 63.30 3af5 n PRO 378 Cb 0.54 -2.08 0.05 0.00 -0.04 0.00 0.00 33.50 31.97 3af5 n PRO 378 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3af5 n ALA 379 N -1.85 0.35 -1.93 0.55 0.00 0.18 -4.72 120.51 113.09 3af5 n ALA 379 Ca 0.13 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 3af5 n ALA 379 Cb 0.48 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 3af5 n ALA 379 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3af5 s ASN 380 N -1.19 6.84 0.00 0.00 3.84 -0.49 -4.91 114.94 119.02 3af5 s ASN 380 Ca 0.75 2.50 0.00 0.00 0.21 0.00 0.00 52.86 56.32 3af5 s ASN 380 Cb -0.42 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 37.66 3af5 s ASN 380 CO 0.47 -0.55 0.85 0.00 -2.79 0.00 0.00 177.10 175.08 3af5 n ALA 381 N 2.23 1.90 -3.66 1.71 0.00 -1.26 -4.98 120.51 116.44 3af5 n ALA 381 Ca 0.05 -0.85 -0.35 0.00 0.00 0.00 0.00 53.44 52.30 3af5 n ALA 381 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 3af5 n ALA 381 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3af5 s LYS 382 N -0.72 3.00 0.33 0.00 2.20 -1.26 -1.02 119.74 122.28 3af5 s LYS 382 Ca 0.00 -0.87 0.07 0.00 -0.36 0.00 0.00 55.97 54.81 3af5 s LYS 382 Cb 0.00 -2.99 -0.07 0.00 -1.51 0.00 0.00 37.83 33.27 3af5 s LYS 382 CO 0.00 -0.34 -0.03 -0.06 -0.36 0.00 0.00 175.35 174.56 3af5 s PHE 383 N 1.37 2.20 0.00 4.03 0.08 0.28 -5.01 117.98 120.93 3af5 s PHE 383 Ca 0.02 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.39 3af5 s PHE 383 Cb -0.16 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 3af5 s PHE 383 CO -0.04 0.35 0.32 -0.35 -0.10 0.00 0.00 175.22 175.40 3af5 n PRO 384 N -0.74 0.00 -4.87 0.24 -0.04 -1.26 -4.16 135.00 124.17 3af5 n PRO 384 Ca -0.05 0.24 -0.27 0.00 -0.04 0.00 0.00 63.50 63.38 3af5 n PRO 384 Cb 0.65 -0.95 -0.15 0.00 -0.04 0.00 0.00 33.50 33.00 3af5 n PRO 384 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3af5 s ARG 385 N -1.11 1.60 -0.26 0.54 0.52 -1.26 -4.60 118.95 114.38 3af5 s ARG 385 Ca 0.00 -0.87 -0.06 0.00 -0.52 0.00 0.00 55.73 54.27 3af5 s ARG 385 Cb 0.00 -1.64 0.13 0.00 0.52 0.00 0.00 34.95 33.96 3af5 s ARG 385 CO 0.00 0.43 0.52 -1.17 0.02 0.00 0.00 175.30 175.10 3af5 s LEU 386 N -0.86 -0.94 -0.26 2.53 2.96 -1.26 -4.77 118.68 116.08 3af5 s LEU 386 Ca 0.08 1.05 -0.15 0.00 -0.22 0.00 0.00 54.13 54.89 3af5 s LEU 386 Cb -0.09 1.77 -0.12 0.00 0.50 0.00 0.00 46.19 48.25 3af5 s LEU 386 CO 0.01 -0.24 -0.28 1.21 -1.32 0.00 0.00 176.35 175.72 3af5 n GLU 387 N 5.41 0.58 -4.56 1.98 2.13 -0.38 -4.35 120.64 121.45 3af5 n GLU 387 Ca -0.08 0.30 -0.33 0.00 0.66 0.00 0.00 57.16 57.71 3af5 n GLU 387 Cb 0.50 -1.52 -0.15 0.00 0.27 0.00 0.00 31.44 30.54 3af5 n GLU 387 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3af5 s THR 388 N -2.52 2.94 -0.24 6.31 2.01 0.19 -0.81 115.64 123.52 3af5 s THR 388 Ca -0.37 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 3af5 s THR 388 Cb 0.13 -2.25 -0.00 0.00 0.01 0.00 0.00 72.50 70.38 3af5 s THR 388 CO 0.50 0.51 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.71 3af5 s LEU 389 N 0.69 3.18 -0.30 4.42 2.96 -0.25 -0.59 118.68 128.79 3af5 s LEU 389 Ca -0.06 -0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 53.25 3af5 s LEU 389 Cb -0.15 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3af5 s LEU 389 CO 0.02 -0.07 0.17 -0.69 -1.32 0.00 0.00 176.35 174.46 3af5 s VAL 390 N 1.48 4.97 0.15 1.68 1.01 0.27 0.09 120.40 130.05 3af5 s VAL 390 Ca 0.05 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.96 3af5 s VAL 390 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3af5 s VAL 390 CO -0.01 0.16 -0.12 0.00 0.00 0.00 0.00 175.10 175.12 3af5 s MET 391 N 1.69 1.10 0.67 2.72 0.23 -0.34 -0.93 119.30 124.44 3af5 s MET 391 Ca 0.06 -1.40 -0.11 0.00 -1.03 0.00 0.00 55.69 53.21 3af5 s MET 391 Cb -0.16 -0.83 -0.01 0.00 -1.53 0.00 0.00 34.83 32.30 3af5 s MET 391 CO 0.08 0.13 1.05 -1.83 -2.03 0.00 0.00 175.02 172.43 3af5 s GLU 392 N -3.32 3.18 -0.04 3.16 -1.05 -1.26 -0.50 118.70 118.87 3af5 s GLU 392 Ca 0.15 0.88 0.08 0.00 -0.15 0.00 0.00 54.97 55.93 3af5 s GLU 392 Cb -0.01 -2.02 0.14 0.00 -0.44 0.00 0.00 34.13 31.79 3af5 s GLU 392 CO 0.03 -0.91 1.06 0.43 0.95 0.00 0.00 175.26 176.82 3af5 n SER 393 N -2.99 0.70 -0.32 0.83 7.64 0.13 -4.73 113.62 114.88 3af5 n SER 393 Ca 0.07 -2.32 0.24 0.00 1.01 0.00 0.00 58.87 57.87 3af5 n SER 393 Cb 0.54 -0.28 0.46 0.00 -1.01 0.00 0.00 64.21 63.92 3af5 n SER 393 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3af5 h THR 394 N 5.25 0.17 -1.14 0.44 2.02 -1.43 0.21 112.91 118.43 3af5 h THR 394 Ca -0.03 -0.05 -0.58 0.00 0.77 0.00 0.00 66.41 66.51 3af5 h THR 394 Cb 1.36 -0.01 -0.41 0.00 -1.74 0.00 0.00 68.15 67.35 3af5 h THR 394 CO 0.01 0.03 -0.60 -1.22 0.37 0.00 0.00 175.52 174.12 3af5 n TYR 395 N -5.20 3.06 0.34 3.16 4.02 -1.26 -4.75 117.16 116.53 3af5 n TYR 395 Ca 0.31 -2.64 0.14 0.00 -0.01 0.00 0.00 57.90 55.71 3af5 n TYR 395 Cb 1.02 -0.34 0.47 0.00 -0.02 0.00 0.00 39.34 40.47 3af5 n TYR 395 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3af5 h GLY 396 N 2.37 0.00 -2.96 2.72 0.00 -0.80 -2.84 103.07 101.56 3af5 h GLY 396 Ca 0.36 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.15 3af5 h GLY 396 CO 0.88 0.00 0.61 -0.32 0.00 0.00 0.00 176.54 177.71 3af5 s GLY 397 N -3.98 2.88 0.61 4.60 0.00 -1.26 -3.62 107.32 106.55 3af5 s GLY 397 Ca 0.05 1.29 0.32 0.00 0.00 0.00 0.00 44.72 46.38 3af5 s GLY 397 CO 0.56 1.82 2.18 0.00 0.00 0.00 0.00 173.10 177.66 3af5 h ALA 398 N 1.84 1.55 -0.55 3.20 0.00 -1.93 -0.90 119.26 122.47 3af5 h ALA 398 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3af5 h ALA 398 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3af5 h ALA 398 CO 0.59 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.76 3af5 n ASN 399 N -3.61 3.88 -2.83 0.00 5.03 -1.26 -4.69 115.26 111.77 3af5 n ASN 399 Ca -0.01 -2.22 -0.30 0.00 0.87 0.00 0.00 54.58 52.92 3af5 n ASN 399 Cb 0.22 -0.44 -0.06 0.00 -1.02 0.00 0.00 39.78 38.48 3af5 n ASN 399 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3af5 n ASP 400 N 0.95 7.11 -4.72 6.41 8.00 -0.35 -4.90 116.55 129.06 3af5 n ASP 400 Ca 0.21 -2.91 -0.39 0.00 0.71 0.00 0.00 54.79 52.40 3af5 n ASP 400 Cb 0.67 -1.37 -0.05 0.00 -0.02 0.00 0.00 41.12 40.34 3af5 n ASP 400 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3af5 s ILE 401 N -0.41 5.09 0.50 0.53 1.09 -1.26 -2.21 121.20 124.53 3af5 s ILE 401 Ca 0.61 1.28 -0.13 0.00 -1.10 0.00 0.00 60.65 61.32 3af5 s ILE 401 Cb 0.27 -3.97 -0.06 0.00 -1.06 0.00 0.00 42.46 37.64 3af5 s ILE 401 CO -0.11 0.28 0.92 -1.10 -0.10 0.00 0.00 174.94 174.83 3af5 s GLN 402 N 0.72 3.81 0.34 2.79 -0.21 -1.26 -5.01 119.66 120.84 3af5 s GLN 402 Ca 0.34 0.73 -0.29 0.00 0.02 0.00 0.00 55.36 56.16 3af5 s GLN 402 Cb -0.17 -2.22 -0.11 0.00 1.00 0.00 0.00 33.01 31.52 3af5 s GLN 402 CO 0.16 -0.25 1.40 1.41 -2.12 0.00 0.00 175.29 175.88 3af5 s MET 403 N -4.25 4.24 0.29 2.91 -2.45 -1.26 -4.92 119.30 113.86 3af5 s MET 403 Ca 0.55 2.38 -0.30 0.00 -1.25 0.00 0.00 55.69 57.08 3af5 s MET 403 Cb -0.10 -3.03 -0.12 0.00 1.25 0.00 0.00 34.83 32.82 3af5 s MET 403 CO 0.36 -0.36 1.45 -2.30 1.05 0.00 0.00 175.02 175.22 3af5 n PRO 404 N 0.83 2.33 -0.32 4.11 -0.02 -1.26 -4.11 135.00 136.56 3af5 n PRO 404 Ca 0.01 0.83 0.02 0.00 -2.02 0.00 0.00 63.50 62.34 3af5 n PRO 404 Cb 0.40 -2.51 0.08 0.00 -0.02 0.00 0.00 33.50 31.45 3af5 n PRO 404 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3af5 n ARG 405 N 1.56 -0.14 0.20 -0.52 5.12 -1.26 -0.56 116.66 121.07 3af5 n ARG 405 Ca 0.08 1.34 0.09 0.00 -1.93 0.00 0.00 57.85 57.43 3af5 n ARG 405 Cb 0.35 -2.00 0.32 0.00 -1.16 0.00 0.00 32.46 29.97 3af5 n ARG 405 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 3af5 h GLU 406 N 0.00 0.00 0.00 5.56 4.81 -1.91 -2.69 114.58 120.35 3af5 h GLU 406 Ca 0.36 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.44 3af5 h GLU 406 Cb 0.58 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3af5 h GLU 406 CO -0.88 0.25 -0.71 1.49 -0.73 0.00 0.00 179.01 178.43 3af5 h GLU 407 N 0.00 0.00 -0.27 1.92 4.81 -1.18 -2.39 114.58 117.47 3af5 h GLU 407 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3af5 h GLU 407 Cb 0.94 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 3af5 h GLU 407 CO 0.03 0.71 -0.23 0.00 -0.73 0.00 0.00 179.01 178.79 3af5 h ALA 408 N 1.29 0.39 -0.71 2.92 0.00 -1.19 -0.56 119.26 121.41 3af5 h ALA 408 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3af5 h ALA 408 Cb 1.39 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3af5 h ALA 408 CO 0.09 0.36 0.41 1.49 0.00 0.00 0.00 179.25 181.60 3af5 h GLU 409 N 0.36 0.97 -0.42 0.00 4.81 -1.44 0.24 114.58 119.08 3af5 h GLU 409 Ca 0.05 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 3af5 h GLU 409 Cb 0.79 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3af5 h GLU 409 CO 0.06 0.70 -0.13 0.87 -0.73 0.00 0.00 179.01 179.78 3af5 h LYS 410 N 0.97 0.77 -0.42 1.92 1.57 -1.27 -1.78 116.57 118.33 3af5 h LYS 410 Ca 0.25 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3af5 h LYS 410 Cb -0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3af5 h LYS 410 CO -0.05 0.87 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.48 3af5 h ARG 411 N 0.70 0.84 0.28 3.15 9.65 -0.34 -0.55 114.38 128.10 3af5 h ARG 411 Ca 0.11 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.65 3af5 h ARG 411 Cb 0.62 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 3af5 h ARG 411 CO 0.04 0.97 -0.18 1.25 2.80 0.00 0.00 179.97 184.85 3af5 h LEU 412 N 0.66 -0.46 -0.71 3.80 5.85 -0.32 -0.03 115.31 124.10 3af5 h LEU 412 Ca 0.10 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3af5 h LEU 412 Cb 0.68 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 3af5 h LEU 412 CO 0.05 -0.29 0.41 0.40 -0.34 0.00 0.00 178.44 178.67 3af5 h ILE 413 N -0.45 1.01 0.12 4.05 1.08 -1.29 -0.47 117.51 121.56 3af5 h ILE 413 Ca -0.03 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 3af5 h ILE 413 Cb 0.38 0.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 3af5 h ILE 413 CO 0.02 0.14 -0.40 -0.08 -0.69 0.00 0.00 178.15 177.14 3af5 h GLU 414 N 0.77 -0.61 -0.74 2.37 4.57 -0.67 -1.13 114.58 119.14 3af5 h GLU 414 Ca 0.31 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.54 3af5 h GLU 414 Cb 0.15 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 3af5 h GLU 414 CO -0.16 -0.41 0.49 0.28 -1.18 0.00 0.00 179.01 178.03 3af5 h VAL 415 N -0.63 1.16 -0.66 0.32 2.07 -0.49 -2.12 116.25 115.90 3af5 h VAL 415 Ca 0.02 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3af5 h VAL 415 Cb 0.66 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3af5 h VAL 415 CO -0.23 0.18 0.38 0.40 0.02 0.00 0.00 177.57 178.31 3af5 h ILE 416 N 0.98 1.20 -0.10 4.57 2.04 -0.81 -1.18 117.51 124.21 3af5 h ILE 416 Ca 0.28 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3af5 h ILE 416 Cb -0.07 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 3af5 h ILE 416 CO -0.08 0.21 0.06 0.45 0.00 0.00 0.00 178.15 178.79 3af5 h HIS 417 N 0.90 0.14 -0.40 1.37 3.86 -0.82 0.13 115.15 120.32 3af5 h HIS 417 Ca 0.23 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.47 3af5 h HIS 417 Cb 0.01 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 3af5 h HIS 417 CO -0.01 0.15 0.21 -0.91 0.86 0.00 0.00 177.93 178.23 3af5 h ASN 418 N 0.08 0.32 -0.17 2.45 4.21 -1.21 -1.24 115.58 120.02 3af5 h ASN 418 Ca 0.04 0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.52 3af5 h ASN 418 Cb 0.06 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3af5 h ASN 418 CO -0.01 0.23 -0.05 0.74 -1.29 0.00 0.00 177.43 177.05 3af5 h THR 419 N 0.43 1.30 -0.00 2.81 2.02 -1.08 -1.39 112.91 116.98 3af5 h THR 419 Ca 0.17 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 3af5 h THR 419 Cb 0.06 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3af5 h THR 419 CO -0.10 0.31 -0.08 0.40 0.37 0.00 0.00 175.52 176.41 3af5 h ILE 420 N 0.02 1.06 0.04 3.11 1.08 -0.64 -1.80 117.51 120.38 3af5 h ILE 420 Ca 0.04 -0.29 -0.07 0.00 -0.39 0.00 0.00 64.86 64.15 3af5 h ILE 420 Cb 0.50 1.15 0.01 0.00 -3.07 0.00 0.00 36.82 35.40 3af5 h ILE 420 CO 0.02 0.08 -0.30 0.11 -0.69 0.00 0.00 178.15 177.37 3af5 h LYS 421 N 0.00 0.14 0.00 2.37 1.57 -1.14 -3.22 116.57 116.30 3af5 h LYS 421 Ca 0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3af5 h LYS 421 Cb 0.15 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3af5 h LYS 421 CO 0.01 1.03 0.00 -2.13 -0.57 0.00 0.00 179.45 177.79 3af5 n ARG 422 N -4.45 0.00 -2.39 3.15 0.63 -0.53 -4.78 116.66 108.29 3af5 n ARG 422 Ca -0.11 0.02 -0.07 0.00 -0.92 0.00 0.00 57.85 56.77 3af5 n ARG 422 Cb 0.58 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 32.02 3af5 n ARG 422 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3af5 n GLY 423 N -1.01 -0.07 0.00 5.14 0.00 -1.08 -4.90 105.19 103.27 3af5 n GLY 423 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3af5 n GLY 423 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3af5 n GLY 424 N -1.33 3.81 3.22 -0.02 0.00 -0.70 -4.86 105.19 105.32 3af5 n GLY 424 Ca -0.05 -1.41 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 3af5 n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3af5 s LYS 425 N -1.08 0.98 -0.24 1.61 1.02 -1.26 -3.58 119.74 117.19 3af5 s LYS 425 Ca 0.00 -1.19 -0.06 0.00 0.02 0.00 0.00 55.97 54.74 3af5 s LYS 425 Cb 0.00 -0.85 -0.02 0.00 -0.52 0.00 0.00 37.83 36.43 3af5 s LYS 425 CO 0.00 0.16 0.03 0.08 -0.92 0.00 0.00 175.35 174.70 3af5 s VAL 426 N -2.06 3.95 -0.25 3.17 1.01 0.34 -0.86 120.40 125.70 3af5 s VAL 426 Ca 0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 3af5 s VAL 426 Cb -0.05 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3af5 s VAL 426 CO 0.03 0.37 0.07 -0.22 0.00 0.00 0.00 175.10 175.35 3af5 s LEU 427 N 1.53 3.43 -0.40 3.92 2.96 0.87 0.15 118.68 131.14 3af5 s LEU 427 Ca 0.06 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3af5 s LEU 427 Cb -0.15 -1.92 0.11 0.00 0.50 0.00 0.00 46.19 44.73 3af5 s LEU 427 CO 0.01 -0.03 0.13 -0.63 -1.32 0.00 0.00 176.35 174.50 3af5 s ILE 428 N 1.61 2.46 0.26 6.68 1.01 0.22 -0.68 121.20 132.76 3af5 s ILE 428 Ca 0.06 -2.62 -0.30 0.00 0.00 0.00 0.00 60.65 57.80 3af5 s ILE 428 Cb -0.15 -2.77 -0.09 0.00 0.01 0.00 0.00 42.46 39.45 3af5 s ILE 428 CO 0.03 -0.67 1.10 -2.16 0.00 0.00 0.00 174.94 173.25 3af5 s PRO 429 N 0.56 4.63 -0.14 2.79 0.04 -1.25 -2.18 135.00 139.44 3af5 s PRO 429 Ca 0.13 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 3af5 s PRO 429 Cb -0.21 -3.20 0.09 0.00 0.04 0.00 0.00 34.50 31.22 3af5 s PRO 429 CO -0.05 0.18 0.81 0.00 0.04 0.00 0.00 177.00 177.98 3af5 s ALA 430 N -1.00 -1.84 0.52 8.56 0.00 -0.50 -4.46 121.76 123.04 3af5 s ALA 430 Ca 0.45 1.57 -0.21 0.00 0.00 0.00 0.00 51.96 53.77 3af5 s ALA 430 Cb -0.32 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 3af5 s ALA 430 CO 0.40 -0.33 1.24 -1.64 0.00 0.00 0.00 175.76 175.43 3af5 s MET 431 N -0.75 3.36 0.32 0.00 -1.94 -1.26 -3.14 119.30 115.88 3af5 s MET 431 Ca -0.05 1.94 0.09 0.00 -1.71 0.00 0.00 55.69 55.96 3af5 s MET 431 Cb -0.02 -2.24 0.92 0.00 2.01 0.00 0.00 34.83 35.51 3af5 s MET 431 CO 0.04 -0.93 1.64 0.00 -0.01 0.00 0.00 175.02 175.77 3af5 h ALA 432 N 1.57 1.61 -3.57 3.03 0.00 -1.92 -3.33 119.26 116.66 3af5 h ALA 432 Ca -0.50 0.23 -0.67 0.00 0.00 0.00 0.00 54.91 53.96 3af5 h ALA 432 Cb 1.28 0.29 -0.28 0.00 0.00 0.00 0.00 17.79 19.07 3af5 h ALA 432 CO 0.58 -0.57 -0.81 0.08 0.00 0.00 0.00 179.25 178.53 3af5 s VAL 433 N -5.80 2.67 0.00 0.00 1.01 -1.26 -4.55 120.40 112.48 3af5 s VAL 433 Ca -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3af5 s VAL 433 Cb 0.29 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3af5 s VAL 433 CO 0.78 0.55 0.00 0.61 0.00 0.00 0.00 175.10 177.04 3af5 n GLY 434 N 3.22 0.92 0.26 4.51 0.00 -1.26 -4.76 105.19 108.07 3af5 n GLY 434 Ca -0.18 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 44.95 3af5 n GLY 434 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3af5 h ARG 435 N 0.00 0.00 0.23 1.61 2.47 -1.91 -2.98 114.38 113.79 3af5 h ARG 435 Ca 0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3af5 h ARG 435 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 3af5 h ARG 435 CO 0.00 0.04 -0.38 0.00 0.56 0.00 0.00 179.97 180.19 3af5 h ALA 436 N 1.96 -0.74 -0.61 0.04 0.00 -1.85 0.19 119.26 118.25 3af5 h ALA 436 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3af5 h ALA 436 Cb 0.07 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3af5 h ALA 436 CO 0.01 -0.97 0.37 1.96 0.00 0.00 0.00 179.25 180.61 3af5 h GLN 437 N -0.69 0.83 -0.06 0.00 7.50 -1.82 -0.61 115.11 120.27 3af5 h GLN 437 Ca 0.00 -0.08 0.01 0.00 0.50 0.00 0.00 58.65 59.08 3af5 h GLN 437 Cb 0.67 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 3af5 h GLN 437 CO -0.16 0.60 0.00 1.49 -1.50 0.00 0.00 178.83 179.26 3af5 h GLU 438 N 0.83 0.02 -0.68 1.46 4.57 -1.33 -1.15 114.58 118.30 3af5 h GLU 438 Ca 0.22 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.35 3af5 h GLU 438 Cb -0.02 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 3af5 h GLU 438 CO -0.04 0.02 0.24 0.28 -1.18 0.00 0.00 179.01 178.33 3af5 h VAL 439 N 0.02 1.24 -0.87 0.32 2.07 -0.51 -2.31 116.25 116.22 3af5 h VAL 439 Ca 0.02 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.80 3af5 h VAL 439 Cb 0.03 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 3af5 h VAL 439 CO -0.04 0.32 0.54 0.24 0.02 0.00 0.00 177.57 178.65 3af5 h MET 440 N 1.00 0.97 -0.62 1.57 2.86 -0.47 -0.49 114.93 119.74 3af5 h MET 440 Ca 0.23 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.77 3af5 h MET 440 Cb 0.24 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3af5 h MET 440 CO -0.01 0.64 0.22 0.52 1.06 0.00 0.00 176.91 179.33 3af5 h MET 441 N 1.00 0.94 -0.70 1.72 2.07 -0.77 0.14 114.93 119.33 3af5 h MET 441 Ca 0.37 -0.19 -0.01 0.00 -2.07 0.00 0.00 59.70 57.81 3af5 h MET 441 Cb 0.15 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 29.70 3af5 h MET 441 CO -0.17 0.82 0.41 0.28 1.07 0.00 0.00 176.91 179.32 3af5 h VAL 442 N 0.87 1.21 0.00 -2.22 2.07 -0.76 -1.21 116.25 116.21 3af5 h VAL 442 Ca 0.20 -0.49 -0.16 0.00 0.82 0.00 0.00 66.70 67.07 3af5 h VAL 442 Cb 0.25 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3af5 h VAL 442 CO -0.01 0.22 -0.78 -0.07 0.02 0.00 0.00 177.57 176.95 3af5 h LEU 443 N 0.96 0.00 -0.11 2.57 3.38 -0.84 -2.87 115.31 118.40 3af5 h LEU 443 Ca 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3af5 h LEU 443 Cb -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3af5 h LEU 443 CO -0.04 0.78 -0.10 -0.08 0.09 0.00 0.00 178.44 179.08 3af5 h GLU 444 N 0.00 0.26 0.00 1.13 4.22 -0.35 0.14 114.58 119.98 3af5 h GLU 444 Ca -0.01 -0.14 -0.04 0.00 0.08 0.00 0.00 59.36 59.26 3af5 h GLU 444 Cb 1.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 3af5 h GLU 444 CO 0.10 0.67 -0.19 1.49 -2.18 0.00 0.00 179.01 178.90 3af5 h GLU 445 N -0.13 0.00 -0.00 1.92 4.81 -1.31 -0.23 114.58 119.63 3af5 h GLU 445 Ca 0.02 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 3af5 h GLU 445 Cb 0.62 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3af5 h GLU 445 CO 0.03 0.19 -0.73 -0.92 -0.73 0.00 0.00 179.01 176.84 3af5 h TYR 446 N 0.00 0.04 -0.21 0.92 3.20 -1.28 -3.16 116.97 116.48 3af5 h TYR 446 Ca -0.00 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 3af5 h TYR 446 Cb 0.34 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3af5 h TYR 446 CO 0.00 0.74 -0.09 0.00 -1.64 0.00 0.00 178.16 177.18 3af5 h ALA 447 N 1.25 0.29 0.00 1.82 0.00 0.99 -1.18 119.26 122.43 3af5 h ALA 447 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3af5 h ALA 447 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3af5 h ALA 447 CO 0.10 0.11 0.17 0.54 0.00 0.00 0.00 179.25 180.16 3af5 n ARG 448 N -4.57 0.11 -0.21 0.00 1.74 -0.60 0.84 116.66 113.98 3af5 n ARG 448 Ca -0.05 0.60 0.07 0.00 -0.77 0.00 0.00 57.85 57.70 3af5 n ARG 448 Cb 0.32 -2.03 0.18 0.00 -1.02 0.00 0.00 32.46 29.90 3af5 n ARG 448 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3af5 n ILE 449 N -2.15 0.96 -1.28 0.55 -6.64 -1.17 -4.97 119.36 104.66 3af5 n ILE 449 Ca -0.01 -0.98 0.00 0.00 -1.77 0.00 0.00 62.75 59.99 3af5 n ILE 449 Cb 0.19 0.54 0.00 0.00 -1.44 0.00 0.00 39.64 38.93 3af5 n ILE 449 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3af5 n GLY 450 N 0.75 0.90 0.03 3.28 0.00 0.25 -5.02 105.19 105.38 3af5 n GLY 450 Ca 0.14 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.68 3af5 n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3af5 n GLY 451 N -1.10 -1.19 3.41 -0.02 0.00 -0.46 -4.82 105.19 101.01 3af5 n GLY 451 Ca 0.00 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 3af5 n GLY 451 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3af5 s ILE 452 N -3.20 5.00 -0.14 -0.61 -1.09 -1.26 -4.91 121.20 114.99 3af5 s ILE 452 Ca 0.03 -0.79 -0.10 0.00 -2.23 0.00 0.00 60.65 57.57 3af5 s ILE 452 Cb 0.14 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 3af5 s ILE 452 CO 0.81 -0.78 -0.19 1.21 -1.23 0.00 0.00 174.94 174.75 3af5 n GLU 453 N 5.85 0.44 -1.53 2.79 4.07 -1.26 -4.99 120.64 126.01 3af5 n GLU 453 Ca -0.09 0.46 -0.30 0.00 -0.06 0.00 0.00 57.16 57.17 3af5 n GLU 453 Cb 0.44 -1.60 0.10 0.00 -0.06 0.00 0.00 31.44 30.32 3af5 n GLU 453 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3af5 s VAL 454 N -2.27 3.00 0.71 6.31 -7.23 -1.26 -5.04 120.40 114.61 3af5 s VAL 454 Ca -0.16 0.32 -0.11 0.00 -1.81 0.00 0.00 61.98 60.22 3af5 s VAL 454 Cb 0.02 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 33.93 3af5 s VAL 454 CO 0.24 -0.42 1.07 -2.16 -0.31 0.00 0.00 175.10 173.51 3af5 s PRO 455 N -5.14 2.82 -0.28 4.82 0.04 -1.26 -4.86 135.00 131.14 3af5 s PRO 455 Ca 0.61 0.85 0.02 0.00 0.04 0.00 0.00 61.00 62.52 3af5 s PRO 455 Cb -0.15 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.48 3af5 s PRO 455 CO 0.54 -1.15 -0.02 0.42 0.04 0.00 0.00 177.00 176.83 3af5 s ILE 456 N -3.09 1.82 0.15 0.56 1.01 -1.15 -1.35 121.20 119.15 3af5 s ILE 456 Ca 0.58 -1.65 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 3af5 s ILE 456 Cb -0.14 -2.14 -0.07 0.00 0.01 0.00 0.00 42.46 40.12 3af5 s ILE 456 CO 0.55 -0.28 0.63 -0.31 0.00 0.00 0.00 174.94 175.52 3af5 s TYR 457 N 1.21 3.71 -0.25 3.97 1.51 -0.03 0.30 117.35 127.78 3af5 s TYR 457 Ca -0.00 1.28 0.01 0.00 -1.01 0.00 0.00 57.07 57.35 3af5 s TYR 457 Cb -0.19 -2.52 0.05 0.00 -0.11 0.00 0.00 41.96 39.19 3af5 s TYR 457 CO -0.08 0.46 -0.10 -0.51 -1.11 0.00 0.00 175.55 174.20 3af5 s LEU 458 N -1.64 3.23 0.05 -1.29 1.43 -0.37 -1.62 118.68 118.47 3af5 s LEU 458 Ca 0.37 -1.16 0.07 0.00 -1.03 0.00 0.00 54.13 52.37 3af5 s LEU 458 Cb -0.18 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 3af5 s LEU 458 CO 0.20 -0.15 -0.19 -0.62 0.23 0.00 0.00 176.35 175.81 3af5 s ASP 459 N 1.19 2.33 0.00 2.29 -1.08 -0.62 -0.91 116.67 119.87 3af5 s ASP 459 Ca -0.04 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.47 3af5 s ASP 459 Cb -0.18 -0.18 0.00 0.00 -1.46 0.00 0.00 42.92 41.10 3af5 s ASP 459 CO -0.06 0.13 0.00 0.61 0.52 0.00 0.00 175.17 176.37 3af5 n GLY 460 N 1.82 1.40 2.49 2.66 0.00 -1.26 -1.82 105.19 110.48 3af5 n GLY 460 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3af5 n GLY 460 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3af5 n MET 461 N -0.47 -0.73 -0.23 1.61 2.81 -1.26 -4.57 117.12 114.28 3af5 n MET 461 Ca 0.00 0.18 -0.02 0.00 -1.81 0.00 0.00 57.70 56.05 3af5 n MET 461 Cb 0.03 -3.76 0.18 0.00 -0.71 0.00 0.00 33.22 28.97 3af5 n MET 461 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3af5 h ILE 462 N 0.00 1.22 -0.23 2.02 2.04 -1.80 -1.19 117.51 119.58 3af5 h ILE 462 Ca 0.00 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 3af5 h ILE 462 Cb 0.36 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3af5 h ILE 462 CO 0.00 0.25 -0.06 -0.25 0.00 0.00 0.00 178.15 178.10 3af5 h TRP 463 N 1.05 0.50 -0.93 1.37 2.91 -1.89 -0.97 115.95 117.98 3af5 h TRP 463 Ca 0.26 -0.11 0.01 0.00 1.13 0.00 0.00 58.89 60.18 3af5 h TRP 463 Cb 0.04 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 28.52 3af5 h TRP 463 CO 0.01 0.67 0.61 1.49 -1.03 0.00 0.00 178.44 180.19 3af5 h GLU 464 N 0.17 1.22 -0.57 2.65 4.57 -1.90 -0.28 114.58 120.44 3af5 h GLU 464 Ca 0.06 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3af5 h GLU 464 Cb 0.51 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3af5 h GLU 464 CO 0.02 0.82 0.29 0.00 -1.18 0.00 0.00 179.01 178.96 3af5 h ALA 465 N 1.33 0.73 -1.00 2.92 0.00 -1.07 -2.21 119.26 119.96 3af5 h ALA 465 Ca 0.34 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3af5 h ALA 465 Cb -0.13 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.36 3af5 h ALA 465 CO -0.07 0.28 0.65 1.15 0.00 0.00 0.00 179.25 181.26 3af5 h THR 466 N 0.77 1.07 -0.94 0.00 2.02 -0.36 -0.29 112.91 115.17 3af5 h THR 466 Ca 0.20 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 67.00 3af5 h THR 466 Cb 0.09 -0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.27 3af5 h THR 466 CO -0.03 0.21 0.62 0.00 0.37 0.00 0.00 175.52 176.70 3af5 h ALA 467 N 1.47 1.20 -0.23 6.16 0.00 -0.47 -1.67 119.26 125.72 3af5 h ALA 467 Ca 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3af5 h ALA 467 Cb 0.21 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3af5 h ALA 467 CO -0.18 0.57 0.05 0.82 0.00 0.00 0.00 179.25 180.51 3af5 h ILE 468 N 1.26 1.12 -0.40 0.00 2.04 -0.71 -2.40 117.51 118.42 3af5 h ILE 468 Ca 0.35 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 3af5 h ILE 468 Cb -0.12 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3af5 h ILE 468 CO -0.08 0.15 0.08 0.45 0.00 0.00 0.00 178.15 178.74 3af5 h HIS 469 N 0.32 0.68 0.00 1.37 3.86 -0.89 -2.75 115.15 117.74 3af5 h HIS 469 Ca 0.08 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3af5 h HIS 469 Cb 0.14 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.42 3af5 h HIS 469 CO 0.00 0.66 0.00 0.25 0.86 0.00 0.00 177.93 179.71 3af5 n THR 470 N -4.55 1.02 1.07 2.45 -2.24 -0.92 -1.37 114.28 109.74 3af5 n THR 470 Ca -0.01 0.36 0.12 0.00 -2.27 0.00 0.00 64.05 62.25 3af5 n THR 470 Cb 0.22 -1.28 0.18 0.00 -2.10 0.00 0.00 70.33 67.36 3af5 n THR 470 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3af5 n ALA 471 N -1.69 3.64 -2.70 6.98 0.00 -1.04 -4.33 120.51 121.37 3af5 n ALA 471 Ca 0.01 -0.45 -0.21 0.00 0.00 0.00 0.00 53.44 52.79 3af5 n ALA 471 Cb 0.16 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 3af5 n ALA 471 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3af5 n TYR 472 N -1.06 2.54 -0.18 0.00 4.01 -0.47 -4.91 117.16 117.10 3af5 n TYR 472 Ca 0.08 -3.27 0.16 0.00 -0.16 0.00 0.00 57.90 54.70 3af5 n TYR 472 Cb 0.36 -0.28 0.50 0.00 -0.31 0.00 0.00 39.34 39.61 3af5 n TYR 472 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3af5 h PRO 473 N 2.82 0.41 0.00 -0.72 0.13 -1.75 0.18 132.00 133.07 3af5 h PRO 473 Ca 0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3af5 h PRO 473 Cb 0.92 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3af5 h PRO 473 CO 0.71 0.27 0.00 1.05 -0.23 0.00 0.00 178.00 179.80 3af5 h GLU 474 N 0.43 0.00 -0.03 0.86 9.09 -1.92 -0.20 114.58 122.81 3af5 h GLU 474 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 3af5 h GLU 474 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.99 3af5 h GLU 474 CO -0.13 0.00 -0.04 0.66 0.05 0.00 0.00 179.01 179.55 3af5 n TYR 475 N -2.32 0.00 -3.10 2.06 4.02 0.05 -4.92 117.16 112.96 3af5 n TYR 475 Ca -0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.69 3af5 n TYR 475 Cb 0.10 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.43 3af5 n TYR 475 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3af5 s LEU 476 N -2.04 3.70 0.69 7.72 1.43 -0.09 -4.56 118.68 125.52 3af5 s LEU 476 Ca 0.29 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 3af5 s LEU 476 Cb 0.20 -2.79 0.02 0.00 0.03 0.00 0.00 46.19 43.65 3af5 s LEU 476 CO 0.33 -0.71 1.24 -0.94 0.23 0.00 0.00 176.35 176.50 3af5 s SER 477 N -4.29 4.39 0.24 2.29 1.04 0.26 -4.65 113.70 112.97 3af5 s SER 477 Ca 0.51 2.48 -0.07 0.00 0.48 0.00 0.00 55.95 59.35 3af5 s SER 477 Cb -0.10 -2.60 0.41 0.00 0.10 0.00 0.00 66.02 63.83 3af5 s SER 477 CO 0.34 -2.14 1.67 0.03 0.98 0.00 0.00 173.24 174.12 3af5 h ARG 478 N 0.11 0.18 0.30 4.02 3.08 -1.92 0.30 114.38 120.45 3af5 h ARG 478 Ca -0.49 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 3af5 h ARG 478 Cb 1.31 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.29 3af5 h ARG 478 CO 0.51 0.12 -0.53 -0.09 -1.07 0.00 0.00 179.97 178.91 3af5 h ARG 479 N 0.18 -0.85 0.00 0.04 2.43 -1.96 -2.53 114.38 111.70 3af5 h ARG 479 Ca 0.39 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.57 3af5 h ARG 479 Cb 0.66 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3af5 h ARG 479 CO -0.55 -0.57 -0.20 1.25 -1.51 0.00 0.00 179.97 178.40 3af5 h LEU 480 N -0.88 0.00 0.44 3.80 6.46 -1.70 -3.02 115.31 120.41 3af5 h LEU 480 Ca -0.03 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 3af5 h LEU 480 Cb 0.82 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 3af5 h LEU 480 CO -0.19 0.20 -0.29 -0.09 -0.62 0.00 0.00 178.44 177.45 3af5 h ARG 481 N 0.00 -0.67 0.17 1.25 2.43 0.01 -2.01 114.38 115.55 3af5 h ARG 481 Ca -0.00 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3af5 h ARG 481 Cb 0.53 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3af5 h ARG 481 CO 0.03 -0.45 -0.08 0.93 -1.51 0.00 0.00 179.97 178.89 3af5 h GLU 482 N -0.70 -0.21 -0.53 0.20 4.39 -1.55 -2.39 114.58 113.79 3af5 h GLU 482 Ca -0.05 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.82 3af5 h GLU 482 Cb 0.58 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3af5 h GLU 482 CO 0.04 0.02 0.77 0.37 -1.16 0.00 0.00 179.01 179.05 3af5 h GLN 483 N -0.42 0.00 0.00 2.33 4.15 -1.50 -2.73 115.11 116.94 3af5 h GLN 483 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3af5 h GLN 483 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3af5 h GLN 483 CO 0.04 0.00 0.00 -0.89 -1.93 0.00 0.00 178.83 176.05 3af5 n ILE 484 N -3.28 0.00 -0.31 2.39 2.08 -0.76 -4.42 119.36 115.06 3af5 n ILE 484 Ca 0.11 0.00 0.22 0.00 0.56 0.00 0.00 62.75 63.64 3af5 n ILE 484 Cb 0.96 0.00 0.41 0.00 -0.75 0.00 0.00 39.64 40.26 3af5 n ILE 484 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 3af5 n PHE 485 N 0.00 0.84 0.30 1.39 1.16 -1.15 -2.11 117.46 117.88 3af5 n PHE 485 Ca 0.00 1.10 -0.12 0.00 -1.87 0.00 0.00 57.45 56.56 3af5 n PHE 485 Cb 0.00 -1.35 -0.06 0.00 -1.61 0.00 0.00 39.48 36.46 3af5 n PHE 485 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 3af5 h LYS 486 N 0.00 -0.77 -7.30 3.97 1.63 -1.67 -3.45 116.57 108.98 3af5 h LYS 486 Ca 0.68 0.05 -0.51 0.00 -0.85 0.00 0.00 60.65 60.02 3af5 h LYS 486 Cb 1.63 0.18 0.09 0.00 -0.60 0.00 0.00 32.23 33.52 3af5 h LYS 486 CO -0.79 -0.51 0.37 -1.21 -3.45 0.00 0.00 179.45 173.86 3af5 s GLU 487 N -4.17 3.05 0.20 1.90 8.01 -0.90 -4.96 118.70 121.82 3af5 s GLU 487 Ca -0.12 1.03 0.10 0.00 0.01 0.00 0.00 54.97 55.99 3af5 s GLU 487 Cb 0.01 -2.00 0.06 0.00 -4.31 0.00 0.00 34.13 27.89 3af5 s GLU 487 CO 0.35 -1.02 1.43 0.78 0.01 0.00 0.00 175.26 176.81 3af5 h GLY 488 N -0.38 0.00 -3.24 -1.39 0.00 -1.88 -3.45 103.07 92.73 3af5 h GLY 488 Ca -0.45 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.39 3af5 h GLY 488 CO 0.57 0.00 0.44 -0.47 0.00 0.00 0.00 176.54 177.07 3af5 s TYR 489 N -3.08 3.43 -0.12 5.60 5.04 -1.26 -5.06 117.35 121.90 3af5 s TYR 489 Ca 0.00 1.68 -0.05 0.00 -2.44 0.00 0.00 57.07 56.26 3af5 s TYR 489 Cb 0.11 -3.19 0.06 0.00 0.35 0.00 0.00 41.96 39.29 3af5 s TYR 489 CO 0.79 -0.55 0.26 1.21 -1.34 0.00 0.00 175.55 175.91 3af5 s ASN 490 N -1.26 0.10 0.20 4.32 3.84 -1.26 -4.50 114.94 116.39 3af5 s ASN 490 Ca 0.51 0.57 -0.11 0.00 0.21 0.00 0.00 52.86 54.05 3af5 s ASN 490 Cb -0.26 0.59 0.25 0.00 -0.55 0.00 0.00 41.25 41.28 3af5 s ASN 490 CO 0.33 -0.21 1.73 1.55 -2.79 0.00 0.00 177.10 177.72 3af5 h PRO 491 N 7.85 0.33 -0.32 0.43 0.13 -1.97 -2.44 132.00 136.01 3af5 h PRO 491 Ca -0.25 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3af5 h PRO 491 Cb 1.13 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3af5 h PRO 491 CO 0.23 0.22 0.10 0.74 -0.23 0.00 0.00 178.00 179.05 3af5 h PHE 492 N 0.34 0.45 0.00 1.56 -1.00 -1.98 -1.73 116.94 114.59 3af5 h PHE 492 Ca 0.29 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.05 3af5 h PHE 492 Cb 0.37 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.79 3af5 h PHE 492 CO -0.19 0.39 0.00 1.28 -1.61 0.00 0.00 178.31 178.18 3af5 n LEU 493 N -4.38 0.00 -4.38 1.54 4.77 -0.92 -4.86 117.00 108.77 3af5 n LEU 493 Ca 0.02 0.28 -0.45 0.00 -0.03 0.00 0.00 56.01 55.82 3af5 n LEU 493 Cb 0.16 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3af5 n LEU 493 CO 0.37 -0.17 -0.12 -0.24 -1.33 0.00 0.00 177.39 175.90 3af5 n SER 494 N -1.28 -1.66 0.00 -1.43 2.88 -0.65 -4.79 113.62 106.69 3af5 n SER 494 Ca 0.06 1.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.72 3af5 n SER 494 Cb 0.09 -0.96 0.77 0.00 -0.75 0.00 0.00 64.21 63.36 3af5 n SER 494 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3af5 n GLU 495 N 1.07 0.90 0.18 -1.46 0.28 -1.26 -3.25 120.64 117.10 3af5 n GLU 495 Ca 0.14 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.24 3af5 n GLU 495 Cb 0.32 -1.45 0.11 0.00 1.43 0.00 0.00 31.44 31.85 3af5 n GLU 495 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 3af5 h ILE 496 N 0.00 0.16 -3.34 3.84 3.07 -1.95 -3.45 117.51 115.84 3af5 h ILE 496 Ca 0.00 -1.24 -0.57 0.00 1.55 0.00 0.00 64.86 64.60 3af5 h ILE 496 Cb 0.00 1.99 -0.08 0.00 -0.27 0.00 0.00 36.82 38.46 3af5 h ILE 496 CO 0.00 0.09 -0.09 -0.36 -1.05 0.00 0.00 178.15 176.74 3af5 s PHE 497 N -3.18 3.51 -0.36 0.16 0.40 -1.20 -2.92 117.98 114.38 3af5 s PHE 497 Ca 0.05 0.95 0.03 0.00 -0.60 0.00 0.00 56.93 57.36 3af5 s PHE 497 Cb 0.06 -2.61 0.11 0.00 0.51 0.00 0.00 43.02 41.09 3af5 s PHE 497 CO 0.71 0.13 0.09 -1.58 0.70 0.00 0.00 175.22 175.27 3af5 s HIS 498 N 0.73 3.41 0.20 0.36 2.46 0.15 -4.99 115.29 117.61 3af5 s HIS 498 Ca 0.28 -2.88 -0.32 0.00 0.47 0.00 0.00 55.06 52.61 3af5 s HIS 498 Cb -0.16 -2.75 -0.12 0.00 -0.13 0.00 0.00 32.58 29.42 3af5 s HIS 498 CO 0.12 -0.91 1.72 -2.14 -2.47 0.00 0.00 174.74 171.06 3af5 s PRO 499 N 0.80 4.13 -0.41 2.88 0.02 -1.26 -1.23 135.00 139.93 3af5 s PRO 499 Ca 0.12 2.60 -0.29 0.00 0.02 0.00 0.00 61.00 63.45 3af5 s PRO 499 Cb -0.20 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.23 3af5 s PRO 499 CO -0.09 -0.75 1.19 0.08 -0.33 0.00 0.00 177.00 177.10 3af5 s VAL 500 N 1.28 4.22 0.17 3.83 1.01 -0.09 -4.84 120.40 125.98 3af5 s VAL 500 Ca 0.75 1.30 -0.12 0.00 0.00 0.00 0.00 61.98 63.92 3af5 s VAL 500 Cb -0.49 -4.44 0.07 0.00 0.00 0.00 0.00 36.38 31.51 3af5 s VAL 500 CO 0.32 -0.78 1.71 0.00 0.00 0.00 0.00 175.10 176.35 3af5 h ALA 501 N 9.20 0.76 -2.14 5.51 0.00 -1.91 -3.47 119.26 127.21 3af5 h ALA 501 Ca -0.24 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3af5 h ALA 501 Cb 1.07 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3af5 h ALA 501 CO 1.09 0.41 0.09 0.27 0.00 0.00 0.00 179.25 181.11 3af5 n ASN 502 N -4.44 -0.56 0.25 0.00 0.23 -1.26 -5.04 115.26 104.44 3af5 n ASN 502 Ca 0.03 -1.36 0.10 0.00 -0.53 0.00 0.00 54.58 52.82 3af5 n ASN 502 Cb 0.19 0.92 0.64 0.00 -2.08 0.00 0.00 39.78 39.45 3af5 n ASN 502 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3af5 h SER 503 N 0.51 0.00 -0.05 0.53 0.02 -1.99 -1.51 113.55 111.07 3af5 h SER 503 Ca -0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3af5 h SER 503 Cb 0.32 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3af5 h SER 503 CO 0.11 0.16 -0.08 -0.09 -1.14 0.00 0.00 176.83 175.79 3af5 h ARG 504 N 0.00 0.14 -0.73 3.45 9.65 -1.99 -1.94 114.38 122.96 3af5 h ARG 504 Ca -0.00 -0.08 -0.07 0.00 -1.10 0.00 0.00 59.98 58.73 3af5 h ARG 504 Cb 0.37 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 3af5 h ARG 504 CO 0.02 0.64 0.20 1.49 2.80 0.00 0.00 179.97 185.12 3af5 h GLU 505 N -0.35 1.16 -0.49 0.20 4.81 -1.94 0.17 114.58 118.12 3af5 h GLU 505 Ca 0.00 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 3af5 h GLU 505 Cb 0.63 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 3af5 h GLU 505 CO 0.02 1.00 0.24 -0.09 -0.73 0.00 0.00 179.01 179.45 3af5 h ARG 506 N 1.10 0.46 -0.54 1.92 2.43 -1.26 0.22 114.38 118.72 3af5 h ARG 506 Ca 0.23 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 3af5 h ARG 506 Cb 0.35 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3af5 h ARG 506 CO -0.00 0.31 -0.12 0.37 -1.51 0.00 0.00 179.97 179.02 3af5 h GLN 507 N 0.48 1.03 -0.12 0.20 5.75 -0.86 -2.53 115.11 119.06 3af5 h GLN 507 Ca 0.22 -0.39 0.03 0.00 -0.15 0.00 0.00 58.65 58.36 3af5 h GLN 507 Cb 0.14 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3af5 h GLN 507 CO -0.16 1.08 -0.04 -0.44 -2.65 0.00 0.00 178.83 176.62 3af5 h ASP 508 N 0.91 -0.14 -0.63 -0.69 3.45 0.19 -1.07 116.42 118.43 3af5 h ASP 508 Ca 0.14 0.04 0.13 0.00 0.43 0.00 0.00 57.03 57.77 3af5 h ASP 508 Cb 0.69 0.09 -0.11 0.00 -0.56 0.00 0.00 39.33 39.43 3af5 h ASP 508 CO 0.05 -0.05 -0.07 0.40 -1.57 0.00 0.00 179.24 177.99 3af5 h ILE 509 N -0.02 0.42 -0.37 0.35 1.08 -0.39 0.15 117.51 118.71 3af5 h ILE 509 Ca 0.06 -0.02 -0.05 0.00 -0.39 0.00 0.00 64.86 64.46 3af5 h ILE 509 Cb 0.11 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 3af5 h ILE 509 CO -0.13 0.01 0.02 0.40 -0.69 0.00 0.00 178.15 177.76 3af5 h ILE 510 N 0.06 1.25 -0.17 -0.67 2.04 -1.01 -3.20 117.51 115.81 3af5 h ILE 510 Ca 0.32 -0.94 -0.17 0.00 1.00 0.00 0.00 64.86 65.07 3af5 h ILE 510 Cb 0.52 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3af5 h ILE 510 CO -0.60 0.32 -0.59 0.44 0.00 0.00 0.00 178.15 177.71 3af5 h ASP 511 N 0.47 0.62 -3.10 1.72 3.32 -0.54 -3.46 116.42 115.46 3af5 h ASP 511 Ca 0.11 -0.35 -0.56 0.00 0.02 0.00 0.00 57.03 56.26 3af5 h ASP 511 Cb 0.43 -0.18 0.20 0.00 0.22 0.00 0.00 39.33 39.99 3af5 h ASP 511 CO 0.01 1.07 -0.59 -0.24 -1.72 0.00 0.00 179.24 177.78 3af5 n SER 512 N -3.94 -1.90 -0.41 6.45 2.88 0.45 -4.92 113.62 112.24 3af5 n SER 512 Ca -0.04 0.51 0.11 0.00 -1.33 0.00 0.00 58.87 58.12 3af5 n SER 512 Cb 0.63 -1.16 0.03 0.00 -0.75 0.00 0.00 64.21 62.96 3af5 n SER 512 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3af5 n ASN 513 N -0.07 1.79 -4.73 -3.46 5.15 -1.26 -4.94 115.26 107.74 3af5 n ASN 513 Ca 0.08 -1.38 -0.42 0.00 -0.60 0.00 0.00 54.58 52.27 3af5 n ASN 513 Cb 0.51 0.50 -0.03 0.00 -0.53 0.00 0.00 39.78 40.23 3af5 n ASN 513 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3af5 s GLU 514 N -2.55 4.34 0.50 1.20 8.01 -1.26 -4.89 118.70 124.06 3af5 s GLU 514 Ca 0.18 2.09 -0.20 0.00 0.01 0.00 0.00 54.97 57.05 3af5 s GLU 514 Cb 0.18 -3.22 -0.07 0.00 -4.31 0.00 0.00 34.13 26.71 3af5 s GLU 514 CO 0.60 -0.38 1.08 -2.14 0.01 0.00 0.00 175.26 174.44 3af5 s PRO 515 N 0.57 3.62 0.22 0.39 0.02 -1.26 -4.90 135.00 133.66 3af5 s PRO 515 Ca 0.62 1.50 -0.22 0.00 0.02 0.00 0.00 61.00 62.91 3af5 s PRO 515 Cb -0.37 -2.09 0.04 0.00 0.02 0.00 0.00 34.50 32.10 3af5 s PRO 515 CO 0.34 -0.60 0.72 0.00 -0.33 0.00 0.00 177.00 177.13 3af5 s ALA 516 N -1.85 -1.40 -0.18 -1.55 0.00 -1.23 -4.38 121.76 111.16 3af5 s ALA 516 Ca 0.69 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 3af5 s ALA 516 Cb -0.20 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 3af5 s ALA 516 CO 0.24 -0.95 0.01 0.42 0.00 0.00 0.00 175.76 175.48 3af5 s ILE 517 N -3.76 4.19 -0.20 0.00 -1.09 -0.46 -0.51 121.20 119.38 3af5 s ILE 517 Ca 0.08 -0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.27 3af5 s ILE 517 Cb -0.04 -2.87 0.03 0.00 -1.58 0.00 0.00 42.46 38.00 3af5 s ILE 517 CO 0.00 0.46 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.37 3af5 s ILE 518 N 0.57 2.03 -0.27 2.92 1.01 0.39 -0.85 121.20 127.01 3af5 s ILE 518 Ca -0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 60.65 59.50 3af5 s ILE 518 Cb -0.14 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.41 3af5 s ILE 518 CO 0.02 0.38 0.03 -0.63 0.00 0.00 0.00 174.94 174.74 3af5 s ILE 519 N 1.26 3.66 0.01 2.92 1.01 -0.64 0.68 121.20 130.11 3af5 s ILE 519 Ca 0.01 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 3af5 s ILE 519 Cb -0.15 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 3af5 s ILE 519 CO -0.11 0.16 -0.02 0.00 0.00 0.00 0.00 174.94 174.98 3af5 s ALA 520 N 1.46 0.08 0.37 9.38 0.00 -0.93 -1.58 121.76 130.55 3af5 s ALA 520 Ca 0.03 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 3af5 s ALA 520 Cb -0.17 0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.96 3af5 s ALA 520 CO 0.00 -0.12 0.98 0.45 0.00 0.00 0.00 175.76 177.08 3af5 s SER 521 N -1.05 7.06 0.37 0.00 0.15 -0.76 -1.41 113.70 118.07 3af5 s SER 521 Ca -0.11 1.87 0.08 0.00 0.70 0.00 0.00 55.95 58.48 3af5 s SER 521 Cb -0.07 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 3af5 s SER 521 CO -0.01 -0.27 0.34 -0.44 1.20 0.00 0.00 173.24 174.06 3af5 s SER 522 N -1.73 5.19 0.35 5.45 0.01 -0.97 -0.77 113.70 121.22 3af5 s SER 522 Ca 0.55 -0.60 0.24 0.00 1.31 0.00 0.00 55.95 57.45 3af5 s SER 522 Cb -0.17 -0.79 1.27 0.00 0.21 0.00 0.00 66.02 66.54 3af5 s SER 522 CO 0.22 -0.49 1.73 1.23 0.41 0.00 0.00 173.24 176.34 3af5 h GLY 523 N 1.14 0.00 -0.12 3.44 0.00 -1.76 -3.04 103.07 102.73 3af5 h GLY 523 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3af5 h GLY 523 CO 0.58 0.00 -0.06 1.03 0.00 0.00 0.00 176.54 178.09 3af5 n MET 524 N -2.33 1.45 -2.36 4.80 2.81 -1.26 -4.52 117.12 115.71 3af5 n MET 524 Ca -0.01 -2.07 -0.18 0.00 -1.81 0.00 0.00 57.70 53.63 3af5 n MET 524 Cb 0.05 -1.23 -0.01 0.00 -0.71 0.00 0.00 33.22 31.32 3af5 n MET 524 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3af5 n LEU 525 N -1.01 -1.62 0.07 4.03 4.77 -1.15 -1.54 117.00 120.55 3af5 n LEU 525 Ca 0.10 0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.95 3af5 n LEU 525 Cb 0.56 -2.64 -0.12 0.00 -2.33 0.00 0.00 43.42 38.89 3af5 n LEU 525 CO 0.01 -0.23 -0.00 0.58 -1.33 0.00 0.00 177.39 176.42 3af5 h VAL 526 N 0.00 1.28 -2.62 4.08 2.07 -1.94 -3.40 116.25 115.71 3af5 h VAL 526 Ca -0.42 -2.36 0.12 0.00 0.82 0.00 0.00 66.70 64.86 3af5 h VAL 526 Cb 1.30 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 33.59 3af5 h VAL 526 CO 0.50 0.73 0.51 -0.83 0.02 0.00 0.00 177.57 178.49 3af5 s GLY 527 N -4.38 0.14 0.00 2.17 0.00 -1.26 -5.03 107.32 98.97 3af5 s GLY 527 Ca -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3af5 s GLY 527 CO 0.93 1.64 0.00 0.61 0.00 0.00 0.00 173.10 176.28 3af5 n GLY 528 N -0.64 -3.09 0.43 0.20 0.00 -1.26 -2.29 105.19 98.54 3af5 n GLY 528 Ca -0.04 -1.79 0.23 0.00 0.00 0.00 0.00 46.02 44.42 3af5 n GLY 528 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3af5 h PRO 529 N 0.00 0.25 0.00 1.61 0.11 -1.85 -2.10 132.00 130.02 3af5 h PRO 529 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3af5 h PRO 529 Cb 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 3af5 h PRO 529 CO 0.00 0.17 -0.01 0.66 -0.21 0.00 0.00 178.00 178.61 3af5 h SER 530 N 0.26 0.00 0.30 -2.05 4.64 -1.19 -1.03 113.55 114.49 3af5 h SER 530 Ca 0.49 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.65 3af5 h SER 530 Cb 1.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.54 3af5 h SER 530 CO -0.14 0.01 -0.65 0.58 -0.87 0.00 0.00 176.83 175.76 3af5 h VAL 531 N 0.00 1.38 0.04 0.95 2.07 -1.61 -1.03 116.25 118.05 3af5 h VAL 531 Ca -0.00 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 65.48 3af5 h VAL 531 Cb 0.02 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3af5 h VAL 531 CO 0.00 0.61 -0.02 -0.08 0.02 0.00 0.00 177.57 178.10 3af5 h GLU 532 N 0.23 -0.05 -0.31 1.57 4.81 -1.33 -2.10 114.58 117.40 3af5 h GLU 532 Ca -0.01 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3af5 h GLU 532 Cb 1.18 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 3af5 h GLU 532 CO 0.11 0.30 0.11 1.88 -0.73 0.00 0.00 179.01 180.68 3af5 h TYR 533 N -0.41 0.19 0.12 0.92 0.05 -1.31 -2.24 116.97 114.30 3af5 h TYR 533 Ca -0.01 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.81 3af5 h TYR 533 Cb 0.37 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.03 3af5 h TYR 533 CO 0.04 0.08 -0.45 0.35 -1.05 0.00 0.00 178.16 177.14 3af5 h PHE 534 N 0.24 -1.27 -0.64 4.88 3.57 -1.15 -0.27 116.94 122.30 3af5 h PHE 534 Ca 0.14 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.78 3af5 h PHE 534 Cb 0.11 0.54 -0.08 0.00 2.79 0.00 0.00 35.95 39.31 3af5 h PHE 534 CO -0.14 -0.54 0.21 -0.22 -2.23 0.00 0.00 178.31 175.40 3af5 h LYS 535 N -0.68 0.36 0.00 1.11 3.64 -1.21 0.49 116.57 120.28 3af5 h LYS 535 Ca 0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3af5 h LYS 535 Cb 0.71 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3af5 h LYS 535 CO -0.26 0.24 -0.23 1.04 -2.27 0.00 0.00 179.45 177.97 3af5 n GLN 536 N -5.04 0.28 -0.06 1.90 6.02 -0.86 -4.02 117.38 115.60 3af5 n GLN 536 Ca 0.10 0.17 -0.03 0.00 -0.01 0.00 0.00 57.00 57.23 3af5 n GLN 536 Cb 0.32 -1.76 -0.13 0.00 1.02 0.00 0.00 30.24 29.69 3af5 n GLN 536 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3af5 n LEU 537 N -2.21 0.00 -0.24 1.08 4.77 -0.13 -4.61 117.00 115.66 3af5 n LEU 537 Ca 0.05 0.00 0.26 0.00 -0.03 0.00 0.00 56.01 56.29 3af5 n LEU 537 Cb 0.43 0.29 0.63 0.00 -2.33 0.00 0.00 43.42 42.45 3af5 n LEU 537 CO 0.33 0.29 1.25 0.00 -1.33 0.00 0.00 177.39 177.93 3af5 h ALA 538 N 1.03 2.61 -0.43 -1.18 0.00 -0.17 -2.74 119.26 118.38 3af5 h ALA 538 Ca -0.32 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3af5 h ALA 538 Cb 1.66 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3af5 h ALA 538 CO 0.02 -0.92 -0.24 -1.35 0.00 0.00 0.00 179.25 176.76 3af5 h PRO 539 N 0.18 0.93 -6.14 0.00 0.11 -1.78 0.21 132.00 125.51 3af5 h PRO 539 Ca 0.49 -0.42 -0.57 0.00 0.11 0.00 0.00 66.00 65.61 3af5 h PRO 539 Cb 1.62 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.66 3af5 h PRO 539 CO -0.10 1.08 0.84 0.34 -0.21 0.00 0.00 178.00 179.95 3af5 s ASP 540 N -6.68 7.02 0.00 -2.05 -1.08 -1.03 -4.35 116.67 108.49 3af5 s ASP 540 Ca -0.12 1.58 0.17 0.00 -0.52 0.00 0.00 52.55 53.67 3af5 s ASP 540 Cb 0.11 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.99 3af5 s ASP 540 CO 0.86 -0.71 1.44 -0.81 0.52 0.00 0.00 175.17 176.47 3af5 n PRO 541 N 6.37 0.43 0.09 4.34 -0.04 -1.26 -2.48 135.00 142.45 3af5 n PRO 541 Ca 0.13 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 3af5 n PRO 541 Cb 0.45 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 3af5 n PRO 541 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3af5 h LYS 542 N 0.00 0.00 -7.36 0.54 1.57 -1.90 -3.41 116.57 106.01 3af5 h LYS 542 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3af5 h LYS 542 Cb 0.05 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.42 3af5 h LYS 542 CO 0.00 0.80 0.40 -0.80 -0.57 0.00 0.00 179.45 179.28 3af5 s ASN 543 N -6.63 6.13 0.00 0.86 0.01 -1.04 -4.26 114.94 110.01 3af5 s ASN 543 Ca 0.02 1.36 0.03 0.00 -0.71 0.00 0.00 52.86 53.55 3af5 s ASN 543 Cb 0.09 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.36 3af5 s ASN 543 CO 0.79 -0.92 -0.09 -0.44 -1.51 0.00 0.00 177.10 174.93 3af5 s SER 544 N -4.20 1.01 -0.09 -1.22 0.01 -0.04 -1.45 113.70 107.72 3af5 s SER 544 Ca 0.55 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.63 3af5 s SER 544 Cb -0.11 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.03 3af5 s SER 544 CO 0.53 0.06 -0.20 -0.51 0.41 0.00 0.00 173.24 173.54 3af5 s ILE 545 N -0.37 1.75 -0.21 1.44 2.07 -0.28 -0.09 121.20 125.51 3af5 s ILE 545 Ca 0.02 -0.84 0.01 0.00 -1.41 0.00 0.00 60.65 58.43 3af5 s ILE 545 Cb -0.04 -1.54 0.03 0.00 0.13 0.00 0.00 42.46 41.04 3af5 s ILE 545 CO -0.00 0.49 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.72 3af5 s ILE 546 N 0.49 2.14 -0.19 2.00 1.01 0.15 -1.25 121.20 125.54 3af5 s ILE 546 Ca -0.17 -1.13 -0.23 0.00 0.00 0.00 0.00 60.65 59.13 3af5 s ILE 546 Cb -0.17 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 3af5 s ILE 546 CO 0.06 0.37 0.73 -0.36 0.00 0.00 0.00 174.94 175.74 3af5 s PHE 547 N 1.24 3.38 -0.16 3.97 0.08 -0.07 -3.96 117.98 122.47 3af5 s PHE 547 Ca 0.01 1.07 0.03 0.00 0.12 0.00 0.00 56.93 58.16 3af5 s PHE 547 Cb -0.15 -2.91 0.08 0.00 -0.57 0.00 0.00 43.02 39.47 3af5 s PHE 547 CO -0.10 -0.23 1.06 1.33 -0.10 0.00 0.00 175.22 177.18 3af5 n VAL 548 N 4.78 1.08 -4.21 -0.44 0.24 -1.26 -1.15 118.33 117.37 3af5 n VAL 548 Ca 0.02 -1.10 -0.12 0.00 -2.04 0.00 0.00 64.34 61.10 3af5 n VAL 548 Cb 0.49 0.44 -0.10 0.00 -1.47 0.00 0.00 33.84 33.20 3af5 n VAL 548 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3af5 s SER 549 N -1.14 0.37 0.09 -1.34 1.04 -1.26 -4.27 113.70 107.19 3af5 s SER 549 Ca 0.06 -1.36 -0.31 0.00 0.48 0.00 0.00 55.95 54.83 3af5 s SER 549 Cb 0.04 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 3af5 s SER 549 CO 0.03 -0.80 1.62 -0.47 0.98 0.00 0.00 173.24 174.60 3af5 s TYR 550 N -4.07 2.60 -0.46 5.02 5.04 -1.26 -4.97 117.35 119.25 3af5 s TYR 550 Ca 0.36 0.42 -0.16 0.00 -2.44 0.00 0.00 57.07 55.25 3af5 s TYR 550 Cb 0.07 -3.94 0.05 0.00 0.35 0.00 0.00 41.96 38.50 3af5 s TYR 550 CO 0.11 -3.68 0.44 -0.65 -1.34 0.00 0.00 175.55 170.43 3af5 s GLN 551 N 2.28 3.03 0.58 4.97 -1.52 -1.26 -4.88 119.66 122.85 3af5 s GLN 551 Ca 0.72 -1.11 -0.18 0.00 -1.95 0.00 0.00 55.36 52.84 3af5 s GLN 551 Cb -0.40 -4.08 -0.04 0.00 -0.22 0.00 0.00 33.01 28.27 3af5 s GLN 551 CO 0.32 -1.00 1.12 0.00 -0.25 0.00 0.00 175.29 175.47 3af5 s ALA 552 N 1.94 2.63 0.25 6.09 0.00 -1.26 -4.76 121.76 126.65 3af5 s ALA 552 Ca 0.08 0.73 -0.31 0.00 0.00 0.00 0.00 51.96 52.46 3af5 s ALA 552 Cb -0.21 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3af5 s ALA 552 CO 0.09 -0.91 1.63 -1.21 0.00 0.00 0.00 175.76 175.37 3af5 s GLU 553 N -3.54 4.14 0.00 0.00 2.02 -1.26 -2.57 118.70 117.49 3af5 s GLU 553 Ca 0.71 2.56 0.00 0.00 0.02 0.00 0.00 54.97 58.26 3af5 s GLU 553 Cb -0.22 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 30.95 3af5 s GLU 553 CO 0.31 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.34 3af5 n GLY 554 N 2.97 0.78 3.93 -1.39 0.00 -1.26 -4.84 105.19 105.38 3af5 n GLY 554 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3af5 n GLY 554 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3af5 s THR 555 N -2.16 5.28 0.24 2.61 -4.23 -1.06 -4.82 115.64 111.50 3af5 s THR 555 Ca 0.00 -0.62 -0.05 0.00 -1.18 0.00 0.00 61.69 59.84 3af5 s THR 555 Cb 0.00 -3.68 0.12 0.00 1.34 0.00 0.00 72.50 70.29 3af5 s THR 555 CO 0.00 -0.02 1.75 0.25 -0.54 0.00 0.00 174.62 176.06 3af5 h LEU 556 N 2.45 0.91 -0.43 4.79 5.85 -1.78 -2.72 115.31 124.39 3af5 h LEU 556 Ca -0.47 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.12 3af5 h LEU 556 Cb 1.18 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 3af5 h LEU 556 CO 0.70 0.91 0.05 1.23 -0.34 0.00 0.00 178.44 180.99 3af5 h GLY 557 N 1.02 0.47 2.00 3.75 0.00 -1.53 0.44 103.07 109.23 3af5 h GLY 557 Ca 0.18 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 3af5 h GLY 557 CO 0.01 -0.08 -0.10 -0.09 0.00 0.00 0.00 176.54 176.29 3af5 h ARG 558 N 0.17 0.00 0.03 4.80 2.43 -1.72 -0.71 114.38 119.37 3af5 h ARG 558 Ca 0.21 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3af5 h ARG 558 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3af5 h ARG 558 CO -0.31 0.10 -0.02 1.96 -1.51 0.00 0.00 179.97 180.19 3af5 h GLN 559 N 0.00 -0.04 -0.58 0.20 4.20 -0.77 -2.27 115.11 115.85 3af5 h GLN 559 Ca -0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 3af5 h GLN 559 Cb 0.36 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 3af5 h GLN 559 CO 0.01 0.56 0.31 0.28 -0.67 0.00 0.00 178.83 179.33 3af5 h VAL 560 N -0.70 0.97 0.00 -0.54 2.07 -0.88 -1.48 116.25 115.69 3af5 h VAL 560 Ca -0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3af5 h VAL 560 Cb 0.63 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3af5 h VAL 560 CO 0.01 0.11 -0.08 -0.61 0.02 0.00 0.00 177.57 177.01 3af5 h GLN 561 N 0.60 0.00 0.00 1.57 4.15 -1.17 -1.22 115.11 119.03 3af5 h GLN 561 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 3af5 h GLN 561 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3af5 h GLN 561 CO -0.16 0.08 0.00 0.43 -1.93 0.00 0.00 178.83 177.25 3af5 n SER 562 N -4.29 0.66 0.00 -0.69 7.64 -0.57 -4.88 113.62 111.48 3af5 n SER 562 Ca -0.03 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.48 3af5 n SER 562 Cb 0.16 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 3af5 n SER 562 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3af5 n GLY 563 N 0.43 0.20 3.64 0.23 0.00 -0.46 -5.02 105.19 104.20 3af5 n GLY 563 Ca 0.03 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.53 3af5 n GLY 563 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3af5 n ILE 564 N -2.00 0.39 1.26 -0.61 2.08 -1.19 -4.82 119.36 114.47 3af5 n ILE 564 Ca 0.00 -0.13 0.12 0.00 0.56 0.00 0.00 62.75 63.30 3af5 n ILE 564 Cb 0.00 -1.59 0.41 0.00 -0.75 0.00 0.00 39.64 37.71 3af5 n ILE 564 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3af5 n ARG 565 N 6.58 1.79 -3.51 0.38 1.74 -1.26 -4.67 116.66 117.70 3af5 n ARG 565 Ca 0.28 -1.17 -0.21 0.00 -0.77 0.00 0.00 57.85 55.98 3af5 n ARG 565 Cb 0.22 -1.44 -0.14 0.00 -1.02 0.00 0.00 32.46 30.08 3af5 n ARG 565 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3af5 s GLU 566 N -1.87 0.17 -0.19 5.56 2.12 -1.26 -0.35 118.70 122.88 3af5 s GLU 566 Ca 0.35 0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.71 3af5 s GLU 566 Cb 0.19 -1.29 -0.00 0.00 0.26 0.00 0.00 34.13 33.29 3af5 s GLU 566 CO 0.30 -0.72 -0.10 0.42 -0.54 0.00 0.00 175.26 174.61 3af5 s ILE 567 N 2.27 2.93 0.29 -3.70 1.01 -0.57 -4.94 121.20 118.50 3af5 s ILE 567 Ca 0.06 -0.65 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 3af5 s ILE 567 Cb -0.16 -2.29 -0.09 0.00 0.01 0.00 0.00 42.46 39.93 3af5 s ILE 567 CO -0.15 0.47 1.00 -2.84 0.00 0.00 0.00 174.94 173.42 3af5 s PRO 568 N 1.24 4.65 -0.12 2.79 0.02 -1.26 -0.64 135.00 141.68 3af5 s PRO 568 Ca 0.03 1.53 -0.04 0.00 0.02 0.00 0.00 61.00 62.54 3af5 s PRO 568 Cb -0.14 -3.04 0.05 0.00 0.02 0.00 0.00 34.50 31.39 3af5 s PRO 568 CO -0.05 0.30 0.10 -1.64 -0.33 0.00 0.00 177.00 175.38 3af5 s MET 569 N -1.63 0.02 -0.04 5.54 -1.94 0.28 -4.93 119.30 116.59 3af5 s MET 569 Ca 0.46 0.18 -0.30 0.00 -1.71 0.00 0.00 55.69 54.33 3af5 s MET 569 Cb -0.25 -1.12 -0.06 0.00 2.01 0.00 0.00 34.83 35.40 3af5 s MET 569 CO 0.32 -0.51 1.72 0.54 -0.01 0.00 0.00 175.02 177.08 3af5 s VAL 570 N 2.18 3.47 0.00 -6.03 0.11 -1.26 -0.71 120.40 118.16 3af5 s VAL 570 Ca 0.04 0.56 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 3af5 s VAL 570 Cb -0.14 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 3af5 s VAL 570 CO -0.07 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.26 3af5 n GLY 571 N 4.23 2.13 3.82 6.54 0.00 0.68 -4.93 105.19 117.67 3af5 n GLY 571 Ca 0.18 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 3af5 n GLY 571 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3af5 s GLU 572 N 4.52 3.00 -1.53 1.61 2.02 -1.26 -3.98 118.70 123.08 3af5 s GLU 572 Ca 0.00 0.98 -0.06 0.00 0.02 0.00 0.00 54.97 55.90 3af5 s GLU 572 Cb 0.00 -2.00 0.05 0.00 0.10 0.00 0.00 34.13 32.29 3af5 s GLU 572 CO 0.00 -1.05 0.45 0.39 0.02 0.00 0.00 175.26 175.07 3af5 n GLU 573 N -3.00 -2.77 -0.60 1.61 1.02 -1.26 -1.91 120.64 113.74 3af5 n GLU 573 Ca 0.08 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 3af5 n GLU 573 Cb 0.53 -4.53 0.00 0.00 -0.02 0.00 0.00 31.44 27.42 3af5 n GLU 573 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3af5 n GLY 574 N -1.90 0.00 3.70 0.62 0.00 -1.26 -4.93 105.19 101.43 3af5 n GLY 574 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3af5 n GLY 574 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3af5 s ARG 575 N -1.19 4.32 0.18 1.61 1.70 -0.80 -4.84 118.95 119.92 3af5 s ARG 575 Ca 0.00 0.62 -0.17 0.00 -0.47 0.00 0.00 55.73 55.71 3af5 s ARG 575 Cb 0.00 -3.49 -0.08 0.00 -0.57 0.00 0.00 34.95 30.82 3af5 s ARG 575 CO 0.00 -0.00 0.63 0.95 -1.08 0.00 0.00 175.30 175.80 3af5 s THR 576 N 1.11 4.72 -0.01 4.99 -4.23 -1.26 -0.23 115.64 120.74 3af5 s THR 576 Ca 0.30 1.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.90 3af5 s THR 576 Cb -0.16 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.87 3af5 s THR 576 CO 0.12 0.23 -0.17 -0.70 -0.54 0.00 0.00 174.62 173.57 3af5 s GLU 577 N -1.95 1.33 -0.29 3.99 2.12 0.12 -4.88 118.70 119.13 3af5 s GLU 577 Ca 0.40 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 55.02 3af5 s GLU 577 Cb -0.16 -1.30 -0.01 0.00 0.26 0.00 0.00 34.13 32.93 3af5 s GLU 577 CO 0.20 0.35 0.11 0.14 -0.54 0.00 0.00 175.26 175.52 3af5 s VAL 578 N -0.44 4.34 -0.07 3.70 -7.23 -1.26 1.00 120.40 120.43 3af5 s VAL 578 Ca 0.06 -0.45 -0.25 0.00 -1.81 0.00 0.00 61.98 59.54 3af5 s VAL 578 Cb -0.07 -3.18 -0.03 0.00 0.56 0.00 0.00 36.38 33.66 3af5 s VAL 578 CO -0.00 0.13 0.76 -0.63 -0.31 0.00 0.00 175.10 175.04 3af5 s ILE 579 N 1.58 5.00 -0.21 -0.62 1.09 0.18 -4.88 121.20 123.33 3af5 s ILE 579 Ca 0.04 1.55 -0.20 0.00 -1.10 0.00 0.00 60.65 60.94 3af5 s ILE 579 Cb -0.17 -4.09 -0.02 0.00 -1.06 0.00 0.00 42.46 37.12 3af5 s ILE 579 CO 0.04 0.21 0.61 -0.75 -0.10 0.00 0.00 174.94 174.95 3af5 s LYS 580 N 1.01 4.18 -0.42 2.79 2.36 -1.26 -1.51 119.74 126.89 3af5 s LYS 580 Ca 0.40 0.55 -0.17 0.00 -2.55 0.00 0.00 55.97 54.20 3af5 s LYS 580 Cb -0.18 -3.60 0.02 0.00 -1.05 0.00 0.00 37.83 33.02 3af5 s LYS 580 CO 0.19 -0.27 0.43 0.08 1.55 0.00 0.00 175.35 177.32 3af5 s VAL 581 N 2.04 5.10 -0.00 4.02 1.01 0.52 -3.22 120.40 129.87 3af5 s VAL 581 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3af5 s VAL 581 Cb -0.16 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 3af5 s VAL 581 CO 0.10 -0.41 0.00 0.59 0.00 0.00 0.00 175.10 175.38 3af5 n ASN 582 N 5.57 4.93 -4.52 3.32 3.02 0.67 -4.78 115.26 123.47 3af5 n ASN 582 Ca -0.08 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.16 3af5 n ASN 582 Cb 0.47 0.76 0.15 0.00 -0.61 0.00 0.00 39.78 40.55 3af5 n ASN 582 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 3af5 n MET 583 N -1.76 -0.57 -2.56 3.52 0.00 -0.72 -4.47 117.12 110.55 3af5 n MET 583 Ca -0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 57.70 57.16 3af5 n MET 583 Cb 0.26 -2.09 -0.03 0.00 0.00 0.00 0.00 33.22 31.36 3af5 n MET 583 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3af5 s GLU 584 N -4.10 4.54 -0.29 3.17 2.02 -0.52 -4.93 118.70 118.58 3af5 s GLU 584 Ca 0.62 1.62 -0.09 0.00 0.02 0.00 0.00 54.97 57.14 3af5 s GLU 584 Cb -0.22 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.63 3af5 s GLU 584 CO 0.63 -0.07 0.12 0.08 0.02 0.00 0.00 175.26 176.04 3af5 s VAL 585 N 0.65 4.47 0.18 2.63 1.01 -1.26 -1.13 120.40 126.96 3af5 s VAL 585 Ca 0.53 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.27 3af5 s VAL 585 Cb -0.26 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3af5 s VAL 585 CO 0.30 0.16 -0.21 -1.00 0.00 0.00 0.00 175.10 174.35 3af5 s HIS 586 N 1.61 2.06 -0.08 5.22 3.76 -0.38 -5.01 115.29 122.47 3af5 s HIS 586 Ca 0.05 -0.41 -0.01 0.00 -0.15 0.00 0.00 55.06 54.54 3af5 s HIS 586 Cb -0.16 -1.02 0.03 0.00 1.11 0.00 0.00 32.58 32.53 3af5 s HIS 586 CO 0.05 0.42 -0.03 0.99 -0.85 0.00 0.00 174.74 175.33 3af5 s THR 587 N -1.88 0.56 -0.35 1.30 2.01 -1.26 -0.89 115.64 115.13 3af5 s THR 587 Ca 0.18 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.19 3af5 s THR 587 Cb -0.07 -0.66 0.11 0.00 0.01 0.00 0.00 72.50 71.88 3af5 s THR 587 CO 0.08 0.28 0.10 -0.63 -0.69 0.00 0.00 174.62 173.76 3af5 s ILE 588 N 1.73 1.77 -1.59 1.82 -1.09 -0.30 -4.95 121.20 118.60 3af5 s ILE 588 Ca 0.02 -2.13 0.09 0.00 -2.23 0.00 0.00 60.65 56.41 3af5 s ILE 588 Cb -0.13 -2.30 0.33 0.00 -1.58 0.00 0.00 42.46 38.78 3af5 s ILE 588 CO -0.05 -0.66 1.21 -0.90 -1.23 0.00 0.00 174.94 173.30 3af5 n ASP 589 N 4.30 2.28 0.00 3.58 5.68 -1.26 -4.14 116.55 126.99 3af5 n ASP 589 Ca 0.02 -2.13 0.11 0.00 -0.50 0.00 0.00 54.79 52.29 3af5 n ASP 589 Cb 0.41 -0.34 0.60 0.00 -1.14 0.00 0.00 41.12 40.65 3af5 n ASP 589 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3af5 n GLY 590 N 0.83 -0.95 0.73 6.12 0.00 -1.26 -2.82 105.19 107.85 3af5 n GLY 590 Ca 0.12 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3af5 n GLY 590 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3af5 n PHE 591 N -1.21 0.19 -1.49 1.61 3.72 -1.26 -4.36 117.46 114.66 3af5 n PHE 591 Ca 0.13 -0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 3af5 n PHE 591 Cb 0.15 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.69 3af5 n PHE 591 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3af5 n SER 592 N 0.94 -0.41 -0.77 4.37 2.88 -1.13 -4.90 113.62 114.60 3af5 n SER 592 Ca 0.12 0.96 0.12 0.00 -1.33 0.00 0.00 58.87 58.73 3af5 n SER 592 Cb 0.44 -1.16 0.31 0.00 -0.75 0.00 0.00 64.21 63.05 3af5 n SER 592 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3af5 n GLY 593 N 1.66 0.71 3.77 0.46 0.00 -1.26 -4.89 105.19 105.64 3af5 n GLY 593 Ca 0.11 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3af5 n GLY 593 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3af5 s HIS 594 N -1.83 3.30 0.31 1.61 3.76 -1.26 -4.06 115.29 117.12 3af5 s HIS 594 Ca 0.34 0.26 -0.29 0.00 -0.15 0.00 0.00 55.06 55.22 3af5 s HIS 594 Cb 0.20 -1.79 -0.10 0.00 1.11 0.00 0.00 32.58 32.00 3af5 s HIS 594 CO 0.30 0.56 1.40 0.00 -0.85 0.00 0.00 174.74 176.15 3af5 s ALA 595 N -1.06 3.57 0.82 -1.40 0.00 -0.49 -4.91 121.76 118.29 3af5 s ALA 595 Ca 0.18 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 53.45 3af5 s ALA 595 Cb -0.12 -3.54 0.17 0.00 0.00 0.00 0.00 23.12 19.63 3af5 s ALA 595 CO 0.08 -0.78 1.12 0.16 0.00 0.00 0.00 175.76 176.35 3af5 s ASP 596 N -0.06 3.78 0.23 0.00 -4.77 -1.26 -4.41 116.67 110.18 3af5 s ASP 596 Ca 0.54 -0.32 -0.08 0.00 -3.30 0.00 0.00 52.55 49.39 3af5 s ASP 596 Cb -0.42 0.15 0.40 0.00 -1.09 0.00 0.00 42.92 41.96 3af5 s ASP 596 CO 0.51 -2.26 1.66 -0.09 0.70 0.00 0.00 175.17 175.69 3af5 h ARG 597 N -0.94 0.15 -0.52 2.11 9.65 -1.19 0.17 114.38 123.80 3af5 h ARG 597 Ca -0.37 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.49 3af5 h ARG 597 Cb 1.25 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.77 3af5 h ARG 597 CO 0.35 0.10 0.29 -0.09 2.80 0.00 0.00 179.97 183.41 3af5 h ARG 598 N 0.15 0.73 -0.42 0.20 2.43 -1.89 -1.89 114.38 113.70 3af5 h ARG 598 Ca 0.38 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3af5 h ARG 598 Cb 0.66 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3af5 h ARG 598 CO -0.58 0.57 0.01 0.93 -1.51 0.00 0.00 179.97 179.39 3af5 h GLU 599 N 0.70 0.73 0.03 0.20 5.08 -1.42 -0.35 114.58 119.55 3af5 h GLU 599 Ca 0.18 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3af5 h GLU 599 Cb 0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3af5 h GLU 599 CO -0.03 0.80 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.61 3af5 h LEU 600 N 0.57 -0.27 -1.03 1.33 3.38 -0.61 0.25 115.31 118.92 3af5 h LEU 600 Ca 0.12 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3af5 h LEU 600 Cb 0.46 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3af5 h LEU 600 CO 0.02 -0.15 0.42 0.24 0.09 0.00 0.00 178.44 179.06 3af5 h MET 601 N -0.19 1.10 -0.53 1.13 2.86 -1.25 -2.04 114.93 116.02 3af5 h MET 601 Ca 0.03 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.44 3af5 h MET 601 Cb 0.21 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3af5 h MET 601 CO -0.07 0.81 -0.04 -0.97 1.06 0.00 0.00 176.91 177.70 3af5 h ASN 602 N 1.10 0.91 -0.51 1.22 -0.00 -0.54 -2.28 115.58 115.48 3af5 h ASN 602 Ca 0.28 -0.26 0.05 0.00 -0.00 0.00 0.00 56.30 56.37 3af5 h ASN 602 Cb 0.04 -0.24 -0.05 0.00 -0.00 0.00 0.00 38.32 38.08 3af5 h ASN 602 CO -0.04 0.99 0.26 0.22 -0.00 0.00 0.00 177.43 178.85 3af5 h TYR 603 N 0.84 0.47 -0.68 0.67 3.20 0.18 0.57 116.97 122.22 3af5 h TYR 603 Ca 0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3af5 h TYR 603 Cb 0.55 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 3af5 h TYR 603 CO 0.03 0.23 0.36 0.28 -1.64 0.00 0.00 178.16 177.42 3af5 h VAL 604 N 0.50 1.21 -0.33 1.81 2.07 -1.23 0.21 116.25 120.49 3af5 h VAL 604 Ca 0.23 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3af5 h VAL 604 Cb 0.14 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3af5 h VAL 604 CO -0.16 0.24 0.07 0.00 0.02 0.00 0.00 177.57 177.74 3af5 h ALA 605 N 1.44 0.44 0.00 1.67 0.00 -0.50 -3.27 119.26 119.03 3af5 h ALA 605 Ca 0.24 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3af5 h ALA 605 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3af5 h ALA 605 CO -0.04 0.11 -0.74 0.87 0.00 0.00 0.00 179.25 179.46 3af5 h LYS 606 N 0.38 0.00 -6.66 0.00 1.79 -0.66 -3.47 116.57 107.95 3af5 h LYS 606 Ca 0.10 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.00 3af5 h LYS 606 Cb 0.31 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.06 3af5 h LYS 606 CO 0.00 0.30 0.54 1.55 -1.08 0.00 0.00 179.45 180.76 3af5 n VAL 607 N -3.04 1.51 -3.74 0.50 3.14 0.70 -4.86 118.33 112.54 3af5 n VAL 607 Ca -0.01 -0.38 -0.12 0.00 -2.96 0.00 0.00 64.34 60.87 3af5 n VAL 607 Cb 0.71 -1.50 -0.12 0.00 -1.06 0.00 0.00 33.84 31.87 3af5 n VAL 607 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 3af5 s ARG 608 N -1.17 0.27 0.50 1.45 6.06 -0.19 -3.97 118.95 121.90 3af5 s ARG 608 Ca 0.61 0.51 -0.22 0.00 -2.50 0.00 0.00 55.73 54.14 3af5 s ARG 608 Cb -0.61 -0.01 -0.06 0.00 0.06 0.00 0.00 34.95 34.32 3af5 s ARG 608 CO 0.56 -0.12 1.20 -1.25 -2.50 0.00 0.00 175.30 173.19 3af5 s PRO 609 N 0.89 3.51 -0.10 5.12 0.04 -1.26 -0.56 135.00 142.66 3af5 s PRO 609 Ca -0.06 1.83 -0.31 0.00 0.04 0.00 0.00 61.00 62.50 3af5 s PRO 609 Cb -0.07 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 3af5 s PRO 609 CO -0.06 -0.77 2.02 -2.13 0.04 0.00 0.00 177.00 176.10 3af5 n ARG 610 N -0.81 2.29 -2.01 4.56 0.63 -1.25 -4.78 116.66 115.28 3af5 n ARG 610 Ca 0.09 0.79 -0.39 0.00 -0.92 0.00 0.00 57.85 57.42 3af5 n ARG 610 Cb 0.48 -2.90 0.01 0.00 0.45 0.00 0.00 32.46 30.50 3af5 n ARG 610 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3af5 s PRO 611 N 4.94 3.73 0.25 -0.14 0.04 -1.26 -4.91 135.00 137.65 3af5 s PRO 611 Ca 0.95 2.13 0.26 0.00 0.04 0.00 0.00 61.00 64.37 3af5 s PRO 611 Cb -0.53 -2.58 0.72 0.00 0.04 0.00 0.00 34.50 32.15 3af5 s PRO 611 CO 0.44 -0.68 1.74 0.93 0.04 0.00 0.00 177.00 179.48 3af5 h GLU 612 N 2.27 0.00 -2.70 4.56 5.08 -1.17 -3.46 114.58 119.16 3af5 h GLU 612 Ca -0.50 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.75 3af5 h GLU 612 Cb 1.26 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.28 3af5 h GLU 612 CO 0.61 0.00 -0.20 0.50 -1.00 0.00 0.00 179.01 178.92 3af5 s ARG 613 N -3.12 0.54 -0.07 2.33 3.52 -0.91 -3.94 118.95 117.30 3af5 s ARG 613 Ca 0.10 0.51 0.02 0.00 -0.13 0.00 0.00 55.73 56.24 3af5 s ARG 613 Cb 0.11 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.77 3af5 s ARG 613 CO 0.61 -0.08 -0.12 0.42 -0.81 0.00 0.00 175.30 175.32 3af5 s ILE 614 N 0.04 1.10 -0.24 4.11 1.01 -0.05 -1.09 121.20 126.07 3af5 s ILE 614 Ca -0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3af5 s ILE 614 Cb -0.03 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.44 3af5 s ILE 614 CO 0.01 0.35 -0.06 -0.63 0.00 0.00 0.00 174.94 174.61 3af5 s ILE 615 N 0.70 2.98 -0.07 2.92 1.01 0.11 -2.01 121.20 126.85 3af5 s ILE 615 Ca -0.14 -0.90 -0.21 0.00 0.00 0.00 0.00 60.65 59.40 3af5 s ILE 615 Cb -0.16 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 3af5 s ILE 615 CO 0.03 0.25 0.61 0.42 0.00 0.00 0.00 174.94 176.25 3af5 s THR 616 N 1.36 5.06 0.11 2.92 -4.23 -0.59 -1.20 115.64 119.07 3af5 s THR 616 Ca 0.02 1.24 0.01 0.00 -1.18 0.00 0.00 61.69 61.78 3af5 s THR 616 Cb -0.16 -3.94 -0.01 0.00 1.34 0.00 0.00 72.50 69.73 3af5 s THR 616 CO -0.04 0.32 0.11 1.33 -0.54 0.00 0.00 174.62 175.79 3af5 n VAL 617 N 3.49 0.00 -3.58 2.29 0.24 0.34 -4.27 118.33 116.85 3af5 n VAL 617 Ca -0.04 -0.71 -0.18 0.00 -2.04 0.00 0.00 64.34 61.37 3af5 n VAL 617 Cb 0.51 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 3af5 n VAL 617 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3af5 n HIS 618 N -0.20 -2.31 -3.62 6.34 -0.00 -0.20 0.19 115.22 115.42 3af5 n HIS 618 Ca 0.02 0.91 -0.03 0.00 -0.00 0.00 0.00 57.72 58.61 3af5 n HIS 618 Cb 0.19 -3.18 -0.03 0.00 -0.00 0.00 0.00 29.99 26.97 3af5 n HIS 618 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3af5 s GLY 619 N -3.01 -0.19 0.52 1.57 0.00 -0.96 -1.23 107.32 104.03 3af5 s GLY 619 Ca 0.01 1.97 -0.22 0.00 0.00 0.00 0.00 44.72 46.48 3af5 s GLY 619 CO 0.85 0.70 1.12 1.18 0.00 0.00 0.00 173.10 176.95 3af5 n GLU 620 N 0.09 1.36 -0.32 2.90 1.02 -1.26 -0.71 120.64 123.72 3af5 n GLU 620 Ca 0.02 0.50 -0.08 0.00 -0.02 0.00 0.00 57.16 57.57 3af5 n GLU 620 Cb 0.58 -2.27 -0.08 0.00 -0.02 0.00 0.00 31.44 29.65 3af5 n GLU 620 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3af5 n PRO 621 N -0.57 -0.33 -0.16 3.49 -0.02 -1.22 -1.05 135.00 135.13 3af5 n PRO 621 Ca 0.11 1.19 -0.01 0.00 -2.02 0.00 0.00 63.50 62.77 3af5 n PRO 621 Cb 0.44 -1.75 0.24 0.00 -0.02 0.00 0.00 33.50 32.40 3af5 n PRO 621 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3af5 h GLN 622 N 0.00 0.88 -0.66 -0.52 5.75 -1.92 -2.51 115.11 116.12 3af5 h GLN 622 Ca 0.12 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 3af5 h GLN 622 Cb 0.31 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 3af5 h GLN 622 CO -0.71 0.67 0.13 0.87 -2.65 0.00 0.00 178.83 177.13 3af5 h LYS 623 N 0.88 1.08 -0.12 1.69 1.57 -1.43 0.20 116.57 120.44 3af5 h LYS 623 Ca 0.22 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3af5 h LYS 623 Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3af5 h LYS 623 CO -0.03 0.97 0.05 0.00 -0.57 0.00 0.00 179.45 179.87 3af5 h LEU 625 N 0.05 0.22 -0.16 0.00 3.38 -1.30 -1.18 115.31 116.32 3af5 h LEU 625 Ca 0.04 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3af5 h LEU 625 Cb 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3af5 h LEU 625 CO -0.00 0.28 -0.18 -0.78 0.09 0.00 0.00 178.44 177.85 3af5 h ASP 626 N 0.15 -0.56 -0.20 -0.43 1.82 -0.51 0.34 116.42 117.03 3af5 h ASP 626 Ca 0.06 0.10 0.01 0.00 -0.39 0.00 0.00 57.03 56.81 3af5 h ASP 626 Cb 0.12 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 3af5 h ASP 626 CO -0.01 -0.22 0.12 0.25 -1.61 0.00 0.00 179.24 177.76 3af5 h LEU 627 N -0.21 0.19 -0.74 2.28 5.85 -1.08 0.12 115.31 121.73 3af5 h LEU 627 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3af5 h LEU 627 Cb 0.37 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3af5 h LEU 627 CO -0.28 0.14 0.48 0.00 -0.34 0.00 0.00 178.44 178.44 3af5 h ALA 628 N 1.08 0.94 -0.19 1.25 0.00 -0.72 0.33 119.26 121.95 3af5 h ALA 628 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3af5 h ALA 628 Cb -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3af5 h ALA 628 CO -0.03 0.37 -0.01 1.15 0.00 0.00 0.00 179.25 180.73 3af5 h THR 629 N 1.00 1.26 -0.89 0.00 2.02 -0.12 -2.59 112.91 113.59 3af5 h THR 629 Ca 0.27 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3af5 h THR 629 Cb -0.09 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 3af5 h THR 629 CO -0.06 0.27 0.58 0.28 0.37 0.00 0.00 175.52 176.96 3af5 h SER 630 N 0.08 1.04 -0.50 4.18 0.02 -0.29 -1.17 113.55 116.91 3af5 h SER 630 Ca 0.05 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3af5 h SER 630 Cb 0.42 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3af5 h SER 630 CO 0.01 0.77 0.14 0.40 -1.14 0.00 0.00 176.83 177.01 3af5 h ILE 631 N 1.22 1.23 -0.27 3.27 2.04 -0.31 -1.23 117.51 123.47 3af5 h ILE 631 Ca 0.33 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3af5 h ILE 631 Cb -0.11 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3af5 h ILE 631 CO -0.07 0.29 0.12 -0.74 0.00 0.00 0.00 178.15 177.76 3af5 h HIS 632 N 0.68 0.39 -0.96 1.37 2.76 -1.10 0.16 115.15 118.46 3af5 h HIS 632 Ca 0.16 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3af5 h HIS 632 Cb 0.30 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 3af5 h HIS 632 CO 0.02 0.38 0.59 -0.09 -1.30 0.00 0.00 177.93 177.53 3af5 h ARG 633 N 0.30 1.29 0.05 5.26 2.43 -1.10 0.62 114.38 123.22 3af5 h ARG 633 Ca 0.09 -0.11 -0.30 0.00 -0.81 0.00 0.00 59.98 58.85 3af5 h ARG 633 Cb 0.14 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3af5 h ARG 633 CO -0.01 0.89 -1.67 -0.22 -1.51 0.00 0.00 179.97 177.45 3af5 h LYS 634 N 1.31 0.10 -0.01 0.20 3.64 -1.10 -3.39 116.57 117.32 3af5 h LYS 634 Ca 0.34 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3af5 h LYS 634 Cb -0.08 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3af5 h LYS 634 CO -0.07 0.79 -0.07 1.19 -2.27 0.00 0.00 179.45 179.02 3af5 n PHE 635 N -3.23 0.00 -1.74 1.91 3.72 0.03 -5.00 117.46 113.15 3af5 n PHE 635 Ca -0.18 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.02 3af5 n PHE 635 Cb 1.04 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.51 3af5 n PHE 635 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3af5 n GLY 636 N 0.57 1.37 3.85 1.37 0.00 0.21 -4.98 105.19 107.59 3af5 n GLY 636 Ca 0.03 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3af5 n GLY 636 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3af5 s ILE 637 N -2.77 4.97 0.21 -0.61 1.01 -1.25 -5.00 121.20 117.75 3af5 s ILE 637 Ca 0.00 0.66 -0.31 0.00 0.00 0.00 0.00 60.65 61.00 3af5 s ILE 637 Cb 0.00 -3.69 -0.10 0.00 0.01 0.00 0.00 42.46 38.68 3af5 s ILE 637 CO 0.00 0.28 1.49 -0.44 0.00 0.00 0.00 174.94 176.28 3af5 s SER 638 N -1.70 6.63 0.14 3.58 0.01 -1.25 -4.06 113.70 117.04 3af5 s SER 638 Ca 0.35 2.63 0.01 0.00 1.31 0.00 0.00 55.95 60.25 3af5 s SER 638 Cb -0.15 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 3af5 s SER 638 CO 0.18 -0.76 -0.00 0.42 0.41 0.00 0.00 173.24 173.49 3af5 s THR 639 N 0.55 0.55 -0.28 1.44 -4.23 -1.26 -0.87 115.64 111.54 3af5 s THR 639 Ca 0.64 -1.95 -0.21 0.00 -1.18 0.00 0.00 61.69 58.99 3af5 s THR 639 Cb -0.42 -1.98 0.09 0.00 1.34 0.00 0.00 72.50 71.53 3af5 s THR 639 CO 0.37 -0.59 0.82 -0.60 -0.54 0.00 0.00 174.62 174.08 3af5 s ARG 640 N -3.92 0.67 -0.90 3.99 3.52 -0.85 -4.96 118.95 116.50 3af5 s ARG 640 Ca 0.20 0.93 -0.02 0.00 -0.13 0.00 0.00 55.73 56.71 3af5 s ARG 640 Cb 0.06 0.25 0.22 0.00 -1.56 0.00 0.00 34.95 33.93 3af5 s ARG 640 CO 0.01 -0.10 0.79 0.00 -0.81 0.00 0.00 175.30 175.19 3af5 s ALA 641 N 0.82 4.26 0.92 6.12 0.00 -1.26 -1.55 121.76 131.07 3af5 s ALA 641 Ca -0.03 -3.81 -0.11 0.00 0.00 0.00 0.00 51.96 48.01 3af5 s ALA 641 Cb -0.05 -2.88 0.14 0.00 0.00 0.00 0.00 23.12 20.33 3af5 s ALA 641 CO -0.08 -2.15 1.10 -1.25 0.00 0.00 0.00 175.76 173.37 3af5 s PRO 642 N -1.28 1.04 0.34 0.00 0.04 -1.26 -4.90 135.00 128.98 3af5 s PRO 642 Ca 0.27 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.44 3af5 s PRO 642 Cb -0.08 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 3af5 s PRO 642 CO -0.12 -2.47 0.50 -0.80 0.04 0.00 0.00 177.00 174.15 3af5 s ASN 643 N -3.08 6.04 0.66 6.66 0.01 -1.26 -3.70 114.94 120.28 3af5 s ASN 643 Ca 0.65 0.02 -0.17 0.00 -0.71 0.00 0.00 52.86 52.65 3af5 s ASN 643 Cb -0.20 -1.49 0.00 0.00 0.41 0.00 0.00 41.25 39.97 3af5 s ASN 643 CO 0.58 -0.40 1.21 0.20 -1.51 0.00 0.00 177.10 177.18 3af5 s ASN 644 N -4.13 4.70 0.00 -1.22 0.01 -1.26 -2.04 114.94 111.00 3af5 s ASN 644 Ca 0.43 2.37 0.00 0.00 -0.71 0.00 0.00 52.86 54.95 3af5 s ASN 644 Cb -0.10 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3af5 s ASN 644 CO 0.32 -1.92 0.00 0.18 -1.51 0.00 0.00 177.10 174.17 3af5 n LEU 645 N -2.17 0.21 -4.82 0.60 4.77 0.73 -4.98 117.00 111.34 3af5 n LEU 645 Ca 0.14 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.77 3af5 n LEU 645 Cb 0.50 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 3af5 n LEU 645 CO 0.46 -0.12 0.56 -1.81 -1.33 0.00 0.00 177.39 175.15 3af5 s ASP 646 N -2.64 7.01 -0.08 -1.43 -0.00 -0.86 -4.90 116.67 113.76 3af5 s ASP 646 Ca 0.00 1.59 0.01 0.00 -0.00 0.00 0.00 52.55 54.14 3af5 s ASP 646 Cb 0.00 -2.49 0.02 0.00 -0.00 0.00 0.00 42.92 40.45 3af5 s ASP 646 CO 0.00 -0.20 -0.08 -0.89 -0.00 0.00 0.00 175.17 174.00 3af5 s THR 647 N -1.91 0.91 -0.24 -1.27 2.01 -1.26 -2.63 115.64 111.24 3af5 s THR 647 Ca 0.55 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.21 3af5 s THR 647 Cb -0.13 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 3af5 s THR 647 CO 0.18 0.33 0.02 -0.63 -0.69 0.00 0.00 174.62 173.82 3af5 s ILE 648 N 1.23 3.82 0.13 1.82 1.01 -0.01 -4.92 121.20 124.28 3af5 s ILE 648 Ca -0.05 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 3af5 s ILE 648 Cb -0.14 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 3af5 s ILE 648 CO -0.02 0.33 1.03 -0.60 0.00 0.00 0.00 174.94 175.68 3af5 s ARG 649 N 1.53 4.64 -0.42 2.79 3.00 -1.26 -1.27 118.95 127.96 3af5 s ARG 649 Ca 0.05 1.57 -0.04 0.00 -1.00 0.00 0.00 55.73 56.31 3af5 s ARG 649 Cb -0.15 -3.34 0.11 0.00 0.00 0.00 0.00 34.95 31.57 3af5 s ARG 649 CO 0.00 0.12 0.24 -0.51 0.00 0.00 0.00 175.30 175.15 3af5 s LEU 650 N -0.03 5.36 0.00 -0.88 1.43 0.16 -4.96 118.68 119.76 3af5 s LEU 650 Ca 0.49 -2.01 0.07 0.00 -1.03 0.00 0.00 54.13 51.65 3af5 s LEU 650 Cb -0.26 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.15 3af5 s LEU 650 CO 0.32 -0.58 0.73 -2.11 0.23 0.00 0.00 176.35 174.94