#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbe s ILE 17 N 0.00 4.07 0.42 12.58 1.01 -1.26 -5.08 121.20 132.95 3gbe s ILE 17 Ca 0.00 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 59.58 3gbe s ILE 17 Cb 0.00 -3.18 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 3gbe s ILE 17 CO 0.00 -0.04 1.37 -2.16 0.00 0.00 0.00 174.94 174.10 3gbe s PRO 18 N 1.49 3.86 -0.03 2.79 0.04 -1.26 -5.02 135.00 136.88 3gbe s PRO 18 Ca 0.02 2.29 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 3gbe s PRO 18 Cb -0.18 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.64 3gbe s PRO 18 CO 0.04 -0.63 0.20 0.15 0.04 0.00 0.00 177.00 176.80 3gbe s LYS 19 N -2.31 0.47 0.41 4.56 -0.14 -1.26 -5.04 119.74 116.42 3gbe s LYS 19 Ca 0.58 -0.15 0.09 0.00 -1.36 0.00 0.00 55.97 55.13 3gbe s LYS 19 Cb -0.41 0.20 0.88 0.00 -1.68 0.00 0.00 37.83 36.82 3gbe s LYS 19 CO 0.53 -0.11 2.02 0.11 -0.76 0.00 0.00 175.35 177.14 3gbe h TRP 20 N 4.60 0.54 0.00 3.18 5.08 -1.99 -1.95 115.95 125.41 3gbe h TRP 20 Ca -0.29 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.69 3gbe h TRP 20 Cb 1.19 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 27.17 3gbe h TRP 20 CO 0.52 0.31 0.00 -2.67 -1.28 0.00 0.00 178.44 175.33 3gbe n TRP 21 N -4.47 0.25 0.01 0.12 4.27 -1.26 -1.42 117.44 114.94 3gbe n TRP 21 Ca 0.06 0.08 -0.13 0.00 -3.89 0.00 0.00 57.50 53.62 3gbe n TRP 21 Cb 0.17 -0.62 -0.14 0.00 -1.36 0.00 0.00 31.31 29.36 3gbe n TRP 21 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 3gbe h LYS 22 N 0.00 0.11 0.00 -2.67 1.57 -1.77 -3.36 116.57 110.46 3gbe h LYS 22 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3gbe h LYS 22 Cb 0.51 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3gbe h LYS 22 CO 0.00 0.84 -0.63 0.93 -0.57 0.00 0.00 179.45 180.02 3gbe h GLU 23 N 0.03 0.00 -7.09 3.15 5.08 -1.42 -3.39 114.58 110.94 3gbe h GLU 23 Ca -0.27 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.61 3gbe h GLU 23 Cb 1.99 0.00 0.04 0.00 0.50 0.00 0.00 28.75 31.28 3gbe h GLU 23 CO 0.11 0.00 0.39 0.00 -1.00 0.00 0.00 179.01 178.51 3gbe s ALA 24 N -3.24 2.83 -0.30 3.43 0.00 -0.51 -4.93 121.76 119.04 3gbe s ALA 24 Ca 0.04 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.54 3gbe s ALA 24 Cb 0.11 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3gbe s ALA 24 CO 0.73 -0.42 0.11 0.08 0.00 0.00 0.00 175.76 176.26 3gbe s VAL 25 N -2.00 4.24 0.23 0.00 1.01 -1.26 -4.13 120.40 118.49 3gbe s VAL 25 Ca 0.68 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 3gbe s VAL 25 Cb -0.17 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 3gbe s VAL 25 CO 0.22 0.06 0.51 -0.36 0.00 0.00 0.00 175.10 175.54 3gbe s PHE 26 N 1.55 3.45 -0.07 5.22 0.40 -0.35 -1.28 117.98 126.90 3gbe s PHE 26 Ca 0.03 0.74 0.03 0.00 -0.60 0.00 0.00 56.93 57.13 3gbe s PHE 26 Cb -0.17 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.21 3gbe s PHE 26 CO 0.04 0.28 -0.16 -0.47 0.70 0.00 0.00 175.22 175.60 3gbe s TYR 27 N -1.86 1.82 -0.26 0.36 5.04 -0.27 -0.63 117.35 121.55 3gbe s TYR 27 Ca 0.45 -0.68 -0.10 0.00 -2.44 0.00 0.00 57.07 54.30 3gbe s TYR 27 Cb -0.11 -1.27 -0.05 0.00 0.35 0.00 0.00 41.96 40.88 3gbe s TYR 27 CO 0.24 -0.30 0.16 -1.14 -1.34 0.00 0.00 175.55 173.18 3gbe s GLN 28 N 0.47 3.97 -0.19 4.97 0.74 0.34 -1.10 119.66 128.86 3gbe s GLN 28 Ca -0.14 -0.32 -0.06 0.00 0.05 0.00 0.00 55.36 54.89 3gbe s GLN 28 Cb -0.16 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 3gbe s GLN 28 CO 0.05 -0.07 0.02 0.08 -0.55 0.00 0.00 175.29 174.83 3gbe s VAL 29 N 1.41 4.28 -0.73 1.34 1.01 -0.41 -1.38 120.40 125.92 3gbe s VAL 29 Ca 0.07 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 3gbe s VAL 29 Cb -0.15 -2.93 0.19 0.00 0.00 0.00 0.00 36.38 33.49 3gbe s VAL 29 CO 0.07 0.44 0.68 -0.47 0.00 0.00 0.00 175.10 175.82 3gbe s TYR 30 N 0.74 3.58 0.28 5.22 5.04 -1.26 -1.92 117.35 129.03 3gbe s TYR 30 Ca 0.01 -1.74 -0.07 0.00 -2.44 0.00 0.00 57.07 52.84 3gbe s TYR 30 Cb -0.14 -3.82 0.50 0.00 0.35 0.00 0.00 41.96 38.86 3gbe s TYR 30 CO 0.02 -1.00 1.56 -1.35 -1.34 0.00 0.00 175.55 173.44 3gbe h PRO 31 N 8.18 0.00 -0.78 4.97 0.11 -1.92 0.07 132.00 142.64 3gbe h PRO 31 Ca -0.04 -0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.30 3gbe h PRO 31 Cb 1.06 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3gbe h PRO 31 CO 0.86 0.00 0.59 -0.09 -0.21 0.00 0.00 178.00 179.15 3gbe h ARG 32 N 0.00 0.00 0.00 1.05 2.43 -1.94 -2.50 114.38 113.42 3gbe h ARG 32 Ca 0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 3gbe h ARG 32 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3gbe h ARG 32 CO -1.00 0.00 -0.06 0.43 -1.51 0.00 0.00 179.97 177.84 3gbe n SER 33 N -4.19 2.00 -0.02 -3.80 7.64 -0.01 -1.00 113.62 114.24 3gbe n SER 33 Ca 0.16 -2.80 -0.01 0.00 1.01 0.00 0.00 58.87 57.22 3gbe n SER 33 Cb 0.88 -0.35 -0.00 0.00 -1.01 0.00 0.00 64.21 63.73 3gbe n SER 33 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3gbe n PHE 34 N -1.14 0.17 -3.66 1.43 7.35 -0.94 -1.05 117.46 119.62 3gbe n PHE 34 Ca 0.12 0.07 -0.08 0.00 -0.76 0.00 0.00 57.45 56.81 3gbe n PHE 34 Cb 0.60 -0.32 -0.09 0.00 0.35 0.00 0.00 39.48 40.02 3gbe n PHE 34 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 3gbe s LYS 35 N -1.32 0.38 -0.13 -4.13 2.47 -1.26 -4.33 119.74 111.41 3gbe s LYS 35 Ca -0.04 1.06 -0.14 0.00 -1.56 0.00 0.00 55.97 55.28 3gbe s LYS 35 Cb 0.01 0.34 -0.05 0.00 -1.46 0.00 0.00 37.83 36.67 3gbe s LYS 35 CO 0.06 -0.23 0.33 0.34 0.16 0.00 0.00 175.35 176.02 3gbe s ASP 36 N 2.43 6.52 0.00 1.43 2.15 -0.66 -1.32 116.67 127.22 3gbe s ASP 36 Ca -0.04 0.61 0.03 0.00 0.43 0.00 0.00 52.55 53.59 3gbe s ASP 36 Cb -0.11 -2.20 0.04 0.00 -0.30 0.00 0.00 42.92 40.35 3gbe s ASP 36 CO -0.14 0.11 0.71 0.35 -0.17 0.00 0.00 175.17 176.04 3gbe n THR 37 N 3.36 0.22 0.11 1.71 -2.24 -1.26 -4.57 114.28 111.61 3gbe n THR 37 Ca -0.11 -0.61 0.03 0.00 -2.27 0.00 0.00 64.05 61.08 3gbe n THR 37 Cb 0.52 0.95 0.04 0.00 -2.10 0.00 0.00 70.33 69.73 3gbe n THR 37 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gbe n ASN 38 N 0.11 1.76 -0.27 3.42 5.03 -1.26 -5.02 115.26 119.03 3gbe n ASN 38 Ca 0.02 -1.47 -0.04 0.00 0.87 0.00 0.00 54.58 53.96 3gbe n ASN 38 Cb 0.14 -0.04 -0.02 0.00 -1.02 0.00 0.00 39.78 38.85 3gbe n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gbe n GLY 39 N 0.18 0.48 0.64 7.41 0.00 -1.26 -4.86 105.19 107.77 3gbe n GLY 39 Ca 0.04 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3gbe n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gbe n ASP 40 N -0.62 1.95 0.00 1.61 5.75 -1.26 -3.85 116.55 120.13 3gbe n ASP 40 Ca -0.04 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 3gbe n ASP 40 Cb 0.38 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3gbe n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gbe n GLY 41 N 1.21 0.78 3.21 6.12 0.00 -1.25 -4.78 105.19 110.49 3gbe n GLY 41 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3gbe n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gbe s ILE 42 N -2.95 2.14 0.68 -0.61 1.01 -1.26 -1.11 121.20 119.09 3gbe s ILE 42 Ca 0.00 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.50 3gbe s ILE 42 Cb 0.00 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.64 3gbe s ILE 42 CO 0.00 0.55 1.26 -0.83 0.00 0.00 0.00 174.94 175.93 3gbe s GLY 43 N 0.52 2.68 0.29 6.18 0.00 -0.18 -4.40 107.32 112.41 3gbe s GLY 43 Ca -0.14 1.10 -0.00 0.00 0.00 0.00 0.00 44.72 45.68 3gbe s GLY 43 CO 0.05 1.52 0.31 0.51 0.00 0.00 0.00 173.10 175.49 3gbe s ASP 44 N -1.61 0.82 0.23 1.64 -4.77 -0.43 -4.14 116.67 108.41 3gbe s ASP 44 Ca 0.80 -1.48 -0.07 0.00 -3.30 0.00 0.00 52.55 48.50 3gbe s ASP 44 Cb -0.35 0.54 0.20 0.00 -1.09 0.00 0.00 42.92 42.22 3gbe s ASP 44 CO 0.41 -1.07 1.80 0.40 0.70 0.00 0.00 175.17 177.42 3gbe h ILE 45 N 2.28 1.26 -0.12 2.11 2.04 -1.52 -1.56 117.51 122.00 3gbe h ILE 45 Ca -0.29 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 3gbe h ILE 45 Cb 1.24 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3gbe h ILE 45 CO 0.42 0.32 -0.01 0.78 0.00 0.00 0.00 178.15 179.67 3gbe h ASN 46 N 1.16 0.15 -0.53 1.72 -0.26 -1.91 -0.77 115.58 115.14 3gbe h ASN 46 Ca 0.27 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.88 3gbe h ASN 46 Cb 0.18 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 3gbe h ASN 46 CO -0.03 0.19 -0.12 1.23 -1.06 0.00 0.00 177.43 177.64 3gbe h GLY 47 N 0.37 1.11 0.90 2.83 0.00 -1.43 -0.43 103.07 106.42 3gbe h GLY 47 Ca 0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 3gbe h GLY 47 CO 0.00 0.83 0.09 -2.22 0.00 0.00 0.00 176.54 175.24 3gbe h ILE 48 N 0.91 1.19 -0.89 2.60 2.04 -0.83 -2.74 117.51 119.79 3gbe h ILE 48 Ca 0.14 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.48 3gbe h ILE 48 Cb 0.69 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 3gbe h ILE 48 CO 0.05 0.19 0.56 0.40 0.00 0.00 0.00 178.15 179.35 3gbe h ILE 49 N 0.27 1.04 0.00 -0.67 2.04 -0.97 -1.38 117.51 117.85 3gbe h ILE 49 Ca 0.09 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3gbe h ILE 49 Cb 0.21 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3gbe h ILE 49 CO -0.00 0.18 -0.05 -0.08 0.00 0.00 0.00 178.15 178.19 3gbe h GLU 50 N 1.01 0.00 -0.56 2.37 4.81 -0.84 -2.80 114.58 118.57 3gbe h GLU 50 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3gbe h GLU 50 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3gbe h GLU 50 CO -0.18 0.05 0.00 1.63 -0.73 0.00 0.00 179.01 179.79 3gbe n LYS 51 N -4.07 2.93 -0.05 1.92 4.76 -0.55 -4.52 118.16 118.59 3gbe n LYS 51 Ca -0.03 -2.48 -0.00 0.00 -2.87 0.00 0.00 58.31 52.93 3gbe n LYS 51 Cb 0.14 -1.52 0.28 0.00 -1.84 0.00 0.00 35.03 32.09 3gbe n LYS 51 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3gbe h LEU 52 N 3.33 0.59 -1.11 -0.35 3.38 -1.19 -1.84 115.31 118.11 3gbe h LEU 52 Ca 0.00 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3gbe h LEU 52 Cb 0.98 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3gbe h LEU 52 CO 0.04 0.59 -0.17 0.44 0.09 0.00 0.00 178.44 179.44 3gbe h ASP 53 N 0.62 0.41 0.00 -0.43 3.32 -1.82 0.13 116.42 118.66 3gbe h ASP 53 Ca 0.14 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gbe h ASP 53 Cb 0.24 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3gbe h ASP 53 CO -0.00 0.60 -0.00 0.22 -1.72 0.00 0.00 179.24 178.34 3gbe h TYR 54 N 0.39 -0.01 -0.41 4.55 3.20 -1.70 -0.14 116.97 122.86 3gbe h TYR 54 Ca 0.07 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 3gbe h TYR 54 Cb 0.52 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3gbe h TYR 54 CO 0.01 0.13 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.56 3gbe h LEU 55 N -0.14 0.65 -0.87 2.82 3.38 -1.01 -1.47 115.31 118.67 3gbe h LEU 55 Ca -0.00 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3gbe h LEU 55 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3gbe h LEU 55 CO 0.00 0.74 -0.12 0.50 0.09 0.00 0.00 178.44 179.65 3gbe h LYS 56 N 0.63 0.71 -0.65 1.13 3.11 -0.54 -1.51 116.57 119.46 3gbe h LYS 56 Ca 0.12 -0.23 -0.07 0.00 -2.81 0.00 0.00 60.65 57.66 3gbe h LYS 56 Cb 0.45 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.59 3gbe h LYS 56 CO 0.02 0.80 0.13 0.00 -2.81 0.00 0.00 179.45 177.59 3gbe h ALA 57 N 1.22 0.86 -0.37 5.00 0.00 -0.52 -1.75 119.26 123.70 3gbe h ALA 57 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3gbe h ALA 57 Cb 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3gbe h ALA 57 CO 0.04 0.60 0.10 1.25 0.00 0.00 0.00 179.25 181.24 3gbe h LEU 58 N 0.98 0.49 0.00 0.00 5.85 -0.85 -3.47 115.31 118.30 3gbe h LEU 58 Ca 0.20 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3gbe h LEU 58 Cb 0.41 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3gbe h LEU 58 CO 0.01 0.48 0.00 0.61 -0.34 0.00 0.00 178.44 179.20 3gbe n GLY 59 N -1.09 1.38 3.76 3.75 0.00 -0.62 -4.42 105.19 107.95 3gbe n GLY 59 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3gbe n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gbe s ILE 60 N -2.00 2.34 -0.14 -0.61 -1.09 -0.90 -4.86 121.20 113.94 3gbe s ILE 60 Ca 0.00 0.31 0.19 0.00 -2.23 0.00 0.00 60.65 58.92 3gbe s ILE 60 Cb 0.00 -3.20 -0.28 0.00 -1.58 0.00 0.00 42.46 37.41 3gbe s ILE 60 CO 0.00 0.06 0.20 0.47 -1.23 0.00 0.00 174.94 174.44 3gbe n ASP 61 N 1.68 0.04 -3.72 3.58 8.00 -0.40 -4.75 116.55 120.98 3gbe n ASP 61 Ca 0.05 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.41 3gbe n ASP 61 Cb 0.39 1.32 -0.09 0.00 -0.02 0.00 0.00 41.12 42.73 3gbe n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gbe s ALA 62 N -2.82 -0.96 -0.08 2.24 0.00 -1.16 -1.78 121.76 117.21 3gbe s ALA 62 Ca -0.09 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.52 3gbe s ALA 62 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3gbe s ALA 62 CO 0.85 -0.26 -0.23 0.42 0.00 0.00 0.00 175.76 176.53 3gbe s ILE 63 N -1.02 2.16 -0.25 0.00 1.01 -0.11 -1.11 121.20 121.88 3gbe s ILE 63 Ca -0.11 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.47 3gbe s ILE 63 Cb -0.04 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3gbe s ILE 63 CO 0.04 0.56 0.07 0.86 0.00 0.00 0.00 174.94 176.47 3gbe s TRP 64 N 0.11 3.08 -0.08 3.97 -0.00 -0.26 -0.18 118.94 125.59 3gbe s TRP 64 Ca -0.11 -0.45 -0.05 0.00 -0.00 0.00 0.00 56.10 55.48 3gbe s TRP 64 Cb -0.16 -2.23 -0.04 0.00 -0.00 0.00 0.00 33.47 31.04 3gbe s TRP 64 CO 0.06 -0.37 0.15 0.96 -0.00 0.00 0.00 176.95 177.75 3gbe s ILE 65 N 1.61 5.39 1.15 5.86 -4.36 -0.38 -1.28 121.20 129.19 3gbe s ILE 65 Ca 0.06 0.03 -0.16 0.00 -0.26 0.00 0.00 60.65 60.32 3gbe s ILE 65 Cb -0.15 -3.41 0.26 0.00 1.25 0.00 0.00 42.46 40.41 3gbe s ILE 65 CO 0.03 0.51 1.08 0.20 0.24 0.00 0.00 174.94 177.00 3gbe s ASN 66 N -1.37 1.33 0.07 4.36 0.01 -0.81 -3.08 114.94 115.46 3gbe s ASN 66 Ca 0.19 0.92 -0.37 0.00 -0.71 0.00 0.00 52.86 52.89 3gbe s ASN 66 Cb -0.12 -1.38 -0.18 0.00 0.41 0.00 0.00 41.25 39.99 3gbe s ASN 66 CO 0.09 -3.90 1.19 -2.65 -1.51 0.00 0.00 177.10 170.32 3gbe n PRO 67 N -4.65 0.71 -0.05 -0.60 -0.02 -1.26 -4.66 135.00 124.47 3gbe n PRO 67 Ca 0.09 0.25 0.06 0.00 -2.02 0.00 0.00 63.50 61.88 3gbe n PRO 67 Cb 0.58 -1.80 0.08 0.00 -0.02 0.00 0.00 33.50 32.34 3gbe n PRO 67 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3gbe n HIS 68 N 1.91 0.00 -3.09 6.00 1.44 -1.26 -4.82 115.22 115.41 3gbe n HIS 68 Ca 0.18 -0.77 -0.24 0.00 -2.01 0.00 0.00 57.72 54.88 3gbe n HIS 68 Cb 0.16 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.17 3gbe n HIS 68 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 3gbe s TYR 69 N -2.05 3.39 0.03 -1.40 1.51 -1.26 -0.71 117.35 116.86 3gbe s TYR 69 Ca 0.18 0.37 -0.35 0.00 -1.01 0.00 0.00 57.07 56.26 3gbe s TYR 69 Cb 0.16 -2.14 -0.14 0.00 -0.11 0.00 0.00 41.96 39.73 3gbe s TYR 69 CO 0.02 -0.15 1.66 -3.47 -1.11 0.00 0.00 175.55 172.49 3gbe n ASP 70 N -1.99 2.95 -3.62 2.29 2.03 -0.23 -3.79 116.55 114.18 3gbe n ASP 70 Ca -0.01 1.05 -0.15 0.00 0.52 0.00 0.00 54.79 56.20 3gbe n ASP 70 Cb 0.57 -1.35 -0.07 0.00 -0.72 0.00 0.00 41.12 39.54 3gbe n ASP 70 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3gbe s SER 71 N 2.13 -0.62 0.00 1.67 0.15 -1.26 -0.33 113.70 115.44 3gbe s SER 71 Ca 0.86 1.00 0.23 0.00 0.70 0.00 0.00 55.95 58.74 3gbe s SER 71 Cb -0.76 0.98 1.05 0.00 -1.71 0.00 0.00 66.02 65.58 3gbe s SER 71 CO 0.46 -0.36 1.74 -2.65 1.20 0.00 0.00 173.24 173.63 3gbe n PRO 72 N 2.04 0.13 -2.62 5.44 -0.02 -1.26 -4.92 135.00 133.79 3gbe n PRO 72 Ca -0.16 0.09 -0.18 0.00 -2.02 0.00 0.00 63.50 61.23 3gbe n PRO 72 Cb 0.56 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.55 3gbe n PRO 72 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gbe n ASN 73 N -1.41 -5.30 -0.09 2.55 3.02 -1.26 -4.89 115.26 107.87 3gbe n ASN 73 Ca 0.08 -0.13 -0.01 0.00 -0.03 0.00 0.00 54.58 54.48 3gbe n ASN 73 Cb 0.23 -4.25 0.25 0.00 -0.61 0.00 0.00 39.78 35.40 3gbe n ASN 73 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3gbe h THR 74 N -0.60 1.20 -0.96 3.41 2.02 -1.91 -3.02 112.91 113.05 3gbe h THR 74 Ca -0.43 -0.69 -0.52 0.00 0.77 0.00 0.00 66.41 65.54 3gbe h THR 74 Cb 1.31 0.66 -0.42 0.00 -1.74 0.00 0.00 68.15 67.95 3gbe h THR 74 CO 0.49 0.26 -0.85 -0.67 0.37 0.00 0.00 175.52 175.12 3gbe n ASP 75 N -4.31 4.26 -4.16 4.18 2.03 -1.26 -4.77 116.55 112.52 3gbe n ASP 75 Ca 0.04 -3.48 -0.42 0.00 0.52 0.00 0.00 54.79 51.44 3gbe n ASP 75 Cb 0.19 -0.40 -0.02 0.00 -0.72 0.00 0.00 41.12 40.17 3gbe n ASP 75 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3gbe n ASN 76 N -0.59 -2.52 0.00 1.67 5.03 -1.14 -1.85 115.26 115.86 3gbe n ASN 76 Ca 0.36 -1.30 0.00 0.00 0.87 0.00 0.00 54.58 54.51 3gbe n ASN 76 Cb 0.85 -1.57 0.00 0.00 -1.02 0.00 0.00 39.78 38.04 3gbe n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gbe n GLY 77 N -2.25 2.99 0.00 7.41 0.00 -1.26 -4.81 105.19 107.27 3gbe n GLY 77 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.94 3gbe n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gbe n TYR 78 N -0.79 0.00 -3.89 1.61 4.02 -0.77 -4.23 117.16 113.10 3gbe n TYR 78 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 3gbe n TYR 78 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.19 3gbe n TYR 78 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 3gbe s ASP 79 N -1.64 4.72 -0.21 7.72 -4.77 -1.26 -4.86 116.67 116.36 3gbe s ASP 79 Ca 0.29 -2.73 -0.22 0.00 -3.30 0.00 0.00 52.55 46.60 3gbe s ASP 79 Cb 0.13 -1.71 -0.02 0.00 -1.09 0.00 0.00 42.92 40.24 3gbe s ASP 79 CO 0.23 -0.32 0.69 -0.63 0.70 0.00 0.00 175.17 175.84 3gbe s ILE 80 N 0.12 4.96 -0.06 2.11 1.01 -1.26 -4.00 121.20 124.08 3gbe s ILE 80 Ca 0.15 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 62.09 3gbe s ILE 80 Cb -0.23 -4.00 -0.26 0.00 0.01 0.00 0.00 42.46 37.98 3gbe s ILE 80 CO -0.03 0.06 0.59 -0.09 0.00 0.00 0.00 174.94 175.47 3gbe h ARG 81 N 7.56 0.21 -2.46 2.79 2.43 -1.02 -0.50 114.38 123.38 3gbe h ARG 81 Ca -0.29 -0.36 -0.30 0.00 -0.81 0.00 0.00 59.98 58.22 3gbe h ARG 81 Cb 1.13 0.13 -0.35 0.00 -0.42 0.00 0.00 29.97 30.46 3gbe h ARG 81 CO 0.80 1.02 -0.61 0.34 -1.51 0.00 0.00 179.97 180.01 3gbe s ASP 82 N -6.82 1.29 0.33 -3.80 3.68 -1.11 -3.95 116.67 106.29 3gbe s ASP 82 Ca -0.14 -0.19 0.25 0.00 2.13 0.00 0.00 52.55 54.60 3gbe s ASP 82 Cb 0.07 0.45 1.17 0.00 -1.45 0.00 0.00 42.92 43.16 3gbe s ASP 82 CO 0.81 -0.33 1.76 1.88 0.13 0.00 0.00 175.17 179.43 3gbe h TYR 83 N 8.30 0.00 -0.45 -5.34 -1.99 -1.88 -2.95 116.97 112.66 3gbe h TYR 83 Ca -0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.56 3gbe h TYR 83 Cb 1.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.88 3gbe h TYR 83 CO 0.14 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 178.84 3gbe n ARG 84 N -2.38 3.15 -4.50 4.88 1.74 -1.26 -4.96 116.66 113.33 3gbe n ARG 84 Ca 0.00 -2.54 -0.24 0.00 -0.77 0.00 0.00 57.85 54.30 3gbe n ARG 84 Cb 0.16 -1.62 -0.14 0.00 -1.02 0.00 0.00 32.46 29.85 3gbe n ARG 84 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3gbe s LYS 85 N -1.68 1.23 0.33 5.56 -0.14 -1.12 -5.07 119.74 118.86 3gbe s LYS 85 Ca 0.38 -0.95 -0.26 0.00 -1.36 0.00 0.00 55.97 53.78 3gbe s LYS 85 Cb 0.25 -1.35 -0.10 0.00 -1.68 0.00 0.00 37.83 34.95 3gbe s LYS 85 CO 0.18 0.34 0.98 0.42 -0.76 0.00 0.00 175.35 176.51 3gbe s ILE 86 N -0.89 4.02 0.16 2.17 -1.09 -1.26 -1.07 121.20 123.25 3gbe s ILE 86 Ca 0.06 1.70 -0.33 0.00 -2.23 0.00 0.00 60.65 59.85 3gbe s ILE 86 Cb -0.09 -3.96 -0.13 0.00 -1.58 0.00 0.00 42.46 36.71 3gbe s ILE 86 CO 0.02 0.16 1.67 0.80 -1.23 0.00 0.00 174.94 176.36 3gbe n MET 87 N 0.55 2.43 -0.23 2.79 0.00 0.11 -4.11 117.12 118.66 3gbe n MET 87 Ca 0.02 0.88 0.02 0.00 -0.00 0.00 0.00 57.70 58.62 3gbe n MET 87 Cb 0.49 -2.69 0.12 0.00 0.00 0.00 0.00 33.22 31.14 3gbe n MET 87 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 3gbe h LYS 88 N 6.60 0.07 0.00 2.12 -0.00 -1.88 0.10 116.57 123.58 3gbe h LYS 88 Ca -0.44 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.19 3gbe h LYS 88 Cb 1.23 -0.02 -0.00 0.00 -0.00 0.00 0.00 32.23 33.45 3gbe h LYS 88 CO 0.92 0.05 -0.04 0.93 -0.00 0.00 0.00 179.45 181.31 3gbe h GLU 89 N 0.07 0.00 0.00 0.07 3.07 -1.96 -2.99 114.58 112.84 3gbe h GLU 89 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3gbe h GLU 89 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 3gbe h GLU 89 CO -0.64 0.04 -0.95 1.88 -1.40 0.00 0.00 179.01 177.94 3gbe h TYR 90 N 0.00 0.00 0.00 4.33 0.99 -1.06 -3.42 116.97 117.80 3gbe h TYR 90 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3gbe h TYR 90 Cb 0.31 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.04 3gbe h TYR 90 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 3gbe n GLY 91 N 1.19 0.48 3.68 3.88 0.00 -1.04 -1.34 105.19 112.03 3gbe n GLY 91 Ca 0.00 -1.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 3gbe n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gbe s THR 92 N -2.35 1.86 0.32 2.61 -4.23 -1.26 -4.58 115.64 108.01 3gbe s THR 92 Ca 0.00 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 3gbe s THR 92 Cb 0.00 -2.80 0.16 0.00 1.34 0.00 0.00 72.50 71.20 3gbe s THR 92 CO 0.00 0.00 1.86 -0.03 -0.54 0.00 0.00 174.62 175.91 3gbe h MET 93 N 1.60 0.59 -0.84 3.99 4.05 -1.99 -1.45 114.93 120.89 3gbe h MET 93 Ca -0.44 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 58.84 3gbe h MET 93 Cb 1.26 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.93 3gbe h MET 93 CO 0.77 0.60 0.45 0.93 0.23 0.00 0.00 176.91 179.89 3gbe h GLU 94 N 0.57 1.16 -0.45 0.39 3.07 -1.99 0.10 114.58 117.43 3gbe h GLU 94 Ca 0.12 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3gbe h GLU 94 Cb 0.33 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 3gbe h GLU 94 CO 0.01 0.85 0.23 -0.44 -1.40 0.00 0.00 179.01 178.26 3gbe h ASP 95 N 1.17 0.57 -0.42 1.42 3.45 -1.69 -0.65 116.42 120.27 3gbe h ASP 95 Ca 0.29 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.63 3gbe h ASP 95 Cb 0.03 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 3gbe h ASP 95 CO -0.05 0.51 0.20 0.15 -1.57 0.00 0.00 179.24 178.48 3gbe h PHE 96 N 0.58 0.60 -0.22 4.55 3.57 -0.79 -0.90 116.94 124.33 3gbe h PHE 96 Ca 0.16 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3gbe h PHE 96 Cb 0.08 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3gbe h PHE 96 CO -0.02 0.50 -0.09 -0.44 -2.23 0.00 0.00 178.31 176.04 3gbe h ASP 97 N 0.53 0.32 -0.20 0.41 3.32 -0.74 -2.26 116.42 117.81 3gbe h ASP 97 Ca 0.14 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 3gbe h ASP 97 Cb 0.12 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3gbe h ASP 97 CO -0.02 0.45 -0.33 -0.09 -1.72 0.00 0.00 179.24 177.54 3gbe h ARG 98 N 0.33 0.70 -0.35 3.56 2.43 -0.57 -1.34 114.38 119.15 3gbe h ARG 98 Ca 0.07 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3gbe h ARG 98 Cb 0.36 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3gbe h ARG 98 CO 0.02 0.93 0.20 1.25 -1.51 0.00 0.00 179.97 180.86 3gbe h LEU 99 N 0.59 0.42 -0.54 3.80 5.85 -0.70 0.20 115.31 124.94 3gbe h LEU 99 Ca 0.07 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3gbe h LEU 99 Cb 0.84 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 3gbe h LEU 99 CO 0.07 0.37 0.33 0.40 -0.34 0.00 0.00 178.44 179.27 3gbe h ILE 100 N 0.44 1.06 -0.03 4.05 2.04 -1.17 0.36 117.51 124.26 3gbe h ILE 100 Ca 0.12 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 3gbe h ILE 100 Cb 0.03 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3gbe h ILE 100 CO -0.02 0.12 0.01 -1.28 0.00 0.00 0.00 178.15 176.98 3gbe h SER 101 N 0.65 0.04 -0.11 1.72 0.87 -0.78 -0.66 113.55 115.27 3gbe h SER 101 Ca 0.22 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3gbe h SER 101 Cb 0.02 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3gbe h SER 101 CO -0.10 0.18 -0.08 -0.33 -0.53 0.00 0.00 176.83 175.97 3gbe h GLU 102 N -0.09 0.41 -0.20 2.24 4.39 -0.43 -1.74 114.58 119.15 3gbe h GLU 102 Ca 0.01 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 3gbe h GLU 102 Cb 0.15 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3gbe h GLU 102 CO -0.00 0.51 -0.32 0.52 -1.16 0.00 0.00 179.01 178.56 3gbe h MET 103 N 0.39 0.57 -0.84 2.33 2.86 -0.77 -3.10 114.93 116.37 3gbe h MET 103 Ca 0.08 -0.35 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 3gbe h MET 103 Cb 0.39 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 3gbe h MET 103 CO 0.02 0.95 0.55 -0.22 1.06 0.00 0.00 176.91 179.27 3gbe h LYS 104 N 0.25 1.01 0.00 1.72 3.64 -0.75 0.11 116.57 122.55 3gbe h LYS 104 Ca 0.02 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3gbe h LYS 104 Cb 0.90 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3gbe h LYS 104 CO 0.07 0.67 -0.04 0.87 -2.27 0.00 0.00 179.45 178.76 3gbe h LYS 105 N 1.04 0.00 -0.45 1.90 1.57 -1.27 -0.55 116.57 118.82 3gbe h LYS 105 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3gbe h LYS 105 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3gbe h LYS 105 CO -0.10 0.04 0.00 0.54 -0.57 0.00 0.00 179.45 179.36 3gbe n ARG 106 N -3.30 3.46 -3.03 3.15 1.74 -0.03 -4.94 116.66 113.71 3gbe n ARG 106 Ca -0.02 -2.75 -0.22 0.00 -0.77 0.00 0.00 57.85 54.09 3gbe n ARG 106 Cb 0.18 -1.81 0.02 0.00 -1.02 0.00 0.00 32.46 29.83 3gbe n ARG 106 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3gbe n ASN 107 N 0.40 -5.49 -4.67 0.55 3.02 -0.21 -4.99 115.26 103.87 3gbe n ASN 107 Ca 0.22 -0.27 -0.32 0.00 -0.03 0.00 0.00 54.58 54.18 3gbe n ASN 107 Cb 0.84 -4.47 -0.09 0.00 -0.61 0.00 0.00 39.78 35.46 3gbe n ASN 107 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3gbe s MET 108 N -5.70 2.68 -0.03 3.52 -1.94 0.17 -4.91 119.30 113.09 3gbe s MET 108 Ca 0.29 -0.70 0.03 0.00 -1.71 0.00 0.00 55.69 53.61 3gbe s MET 108 Cb -0.14 -2.60 -0.03 0.00 2.01 0.00 0.00 34.83 34.07 3gbe s MET 108 CO 0.36 0.60 -0.11 1.03 -0.01 0.00 0.00 175.02 176.89 3gbe s ARG 109 N -1.75 2.51 -0.19 2.03 0.52 -0.73 -3.70 118.95 117.63 3gbe s ARG 109 Ca 0.21 -0.71 -0.08 0.00 -0.52 0.00 0.00 55.73 54.63 3gbe s ARG 109 Cb -0.11 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 3gbe s ARG 109 CO 0.12 0.62 0.08 -1.17 0.02 0.00 0.00 175.30 174.97 3gbe s LEU 110 N -1.05 3.93 -0.13 2.53 2.96 -1.26 -0.93 118.68 124.72 3gbe s LEU 110 Ca 0.14 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 3gbe s LEU 110 Cb -0.11 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3gbe s LEU 110 CO 0.03 0.17 -0.09 -0.32 -1.32 0.00 0.00 176.35 174.82 3gbe s MET 111 N 0.41 3.44 0.29 1.98 -2.45 0.75 -0.73 119.30 122.99 3gbe s MET 111 Ca 0.05 -0.61 0.08 0.00 -1.25 0.00 0.00 55.69 53.96 3gbe s MET 111 Cb -0.12 -2.73 -0.04 0.00 1.25 0.00 0.00 34.83 33.19 3gbe s MET 111 CO -0.00 0.26 0.10 0.96 1.05 0.00 0.00 175.02 177.39 3gbe s ILE 112 N 0.26 3.48 -0.14 10.11 -4.36 -0.40 -1.25 121.20 128.90 3gbe s ILE 112 Ca -0.07 -1.71 -0.19 0.00 -0.26 0.00 0.00 60.65 58.42 3gbe s ILE 112 Cb -0.15 -3.01 -0.04 0.00 1.25 0.00 0.00 42.46 40.51 3gbe s ILE 112 CO 0.04 -0.29 0.53 -0.62 0.24 0.00 0.00 174.94 174.84 3gbe s ASP 113 N -3.79 6.68 -0.28 4.36 -1.08 -1.18 -0.61 116.67 120.77 3gbe s ASP 113 Ca 0.34 0.81 -0.05 0.00 -0.52 0.00 0.00 52.55 53.14 3gbe s ASP 113 Cb -0.05 -2.31 0.01 0.00 -1.46 0.00 0.00 42.92 39.12 3gbe s ASP 113 CO 0.22 -0.09 0.04 -0.69 0.52 0.00 0.00 175.17 175.17 3gbe s VAL 114 N 1.06 3.66 -0.58 1.11 1.01 0.11 -4.74 120.40 122.04 3gbe s VAL 114 Ca 0.27 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3gbe s VAL 114 Cb -0.16 -2.89 0.15 0.00 0.00 0.00 0.00 36.38 33.48 3gbe s VAL 114 CO 0.11 0.10 0.37 -0.69 0.00 0.00 0.00 175.10 174.99 3gbe s VAL 115 N 1.45 3.39 -0.08 2.92 1.01 -1.26 -1.08 120.40 126.75 3gbe s VAL 115 Ca 0.02 -2.97 0.11 0.00 0.00 0.00 0.00 61.98 59.14 3gbe s VAL 115 Cb -0.17 -3.25 0.17 0.00 0.00 0.00 0.00 36.38 33.13 3gbe s VAL 115 CO 0.01 -0.84 1.06 2.30 0.00 0.00 0.00 175.10 177.63 3gbe n ILE 116 N 3.49 1.30 0.07 2.22 -5.35 -1.26 -4.55 119.36 115.28 3gbe n ILE 116 Ca 0.06 -1.53 -0.03 0.00 -0.27 0.00 0.00 62.75 60.98 3gbe n ILE 116 Cb 0.37 0.08 -0.07 0.00 -1.74 0.00 0.00 39.64 38.28 3gbe n ILE 116 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 3gbe h ASN 117 N 0.00 0.00 -5.10 7.28 -1.24 -1.89 -3.44 115.58 111.19 3gbe h ASN 117 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 3gbe h ASN 117 Cb 0.99 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 39.93 3gbe h ASN 117 CO 0.00 0.77 -0.01 -1.38 -1.29 0.00 0.00 177.43 175.52 3gbe s HIS 118 N -2.81 -0.08 0.44 0.67 -3.43 -1.26 -0.86 115.29 107.96 3gbe s HIS 118 Ca 0.00 -0.26 0.03 0.00 -0.80 0.00 0.00 55.06 54.03 3gbe s HIS 118 Cb 0.09 0.34 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 3gbe s HIS 118 CO 0.80 -0.88 0.09 0.95 -2.00 0.00 0.00 174.74 173.70 3gbe s THR 119 N -3.87 0.82 0.62 -5.38 -4.23 -0.86 -4.73 115.64 98.01 3gbe s THR 119 Ca 0.09 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.45 3gbe s THR 119 Cb -0.00 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 3gbe s THR 119 CO -0.04 0.00 1.06 -0.55 -0.54 0.00 0.00 174.62 174.56 3gbe s SER 120 N -3.69 5.64 0.00 3.99 0.15 -0.20 -2.79 113.70 116.80 3gbe s SER 120 Ca 0.19 1.80 0.20 0.00 0.70 0.00 0.00 55.95 58.84 3gbe s SER 120 Cb 0.03 -2.53 1.19 0.00 -1.71 0.00 0.00 66.02 62.99 3gbe s SER 120 CO 0.11 -1.26 1.67 -0.90 1.20 0.00 0.00 173.24 174.06 3gbe n ASP 121 N -2.25 0.00 -0.64 5.45 5.75 -0.47 -2.09 116.55 122.31 3gbe n ASP 121 Ca 0.09 -1.08 0.09 0.00 -0.01 0.00 0.00 54.79 53.87 3gbe n ASP 121 Cb 0.53 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.67 3gbe n ASP 121 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gbe n GLN 122 N -0.86 1.57 -2.02 0.11 6.02 -1.26 -4.39 117.38 116.54 3gbe n GLN 122 Ca 0.15 -1.38 -0.41 0.00 -0.01 0.00 0.00 57.00 55.35 3gbe n GLN 122 Cb 0.07 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 29.97 3gbe n GLN 122 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3gbe s ASN 123 N -1.68 6.58 0.30 1.08 2.47 -0.89 -4.79 114.94 118.02 3gbe s ASN 123 Ca 0.19 2.78 0.05 0.00 0.42 0.00 0.00 52.86 56.31 3gbe s ASN 123 Cb 0.15 -2.65 0.75 0.00 -1.45 0.00 0.00 41.25 38.04 3gbe s ASN 123 CO 0.29 -0.68 1.74 -0.08 -3.72 0.00 0.00 177.10 174.65 3gbe h GLU 124 N 3.17 0.58 -0.97 0.43 4.81 -1.91 -0.36 114.58 120.33 3gbe h GLU 124 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3gbe h GLU 124 Cb 1.23 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 3gbe h GLU 124 CO 0.65 0.39 0.61 -1.49 -0.73 0.00 0.00 179.01 178.43 3gbe h TRP 125 N 0.60 1.25 0.02 0.92 6.55 -1.92 -1.89 115.95 121.48 3gbe h TRP 125 Ca 0.57 0.01 -0.23 0.00 0.95 0.00 0.00 58.89 60.20 3gbe h TRP 125 Cb 0.99 -0.42 0.00 0.00 -0.86 0.00 0.00 29.16 28.88 3gbe h TRP 125 CO -0.05 0.81 -0.97 0.35 -1.05 0.00 0.00 178.44 177.53 3gbe h PHE 126 N 1.33 0.57 -0.90 0.49 3.57 -1.42 -0.06 116.94 120.52 3gbe h PHE 126 Ca 0.35 -0.32 0.04 0.00 3.53 0.00 0.00 57.97 61.57 3gbe h PHE 126 Cb -0.10 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 3gbe h PHE 126 CO 0.00 1.15 0.58 0.28 -2.23 0.00 0.00 178.31 178.10 3gbe h VAL 127 N 0.20 1.13 -0.06 1.41 2.07 -0.98 -0.27 116.25 119.76 3gbe h VAL 127 Ca -0.08 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 66.93 3gbe h VAL 127 Cb 1.61 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3gbe h VAL 127 CO 0.17 0.20 -0.43 0.11 0.02 0.00 0.00 177.57 177.64 3gbe h LYS 128 N 1.12 0.39 -0.62 1.57 1.57 -1.27 -3.12 116.57 116.21 3gbe h LYS 128 Ca 0.37 -0.35 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 3gbe h LYS 128 Cb 0.04 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 3gbe h LYS 128 CO -0.13 0.99 0.17 1.03 -0.57 0.00 0.00 179.45 180.95 3gbe h SER 129 N -0.09 0.09 1.14 0.86 0.87 -0.65 -1.80 113.55 113.98 3gbe h SER 129 Ca -0.04 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3gbe h SER 129 Cb 1.10 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3gbe h SER 129 CO 0.09 0.05 0.00 2.29 -0.53 0.00 0.00 176.83 178.73 3gbe n LYS 130 N -5.08 0.20 0.16 2.24 2.85 -0.14 -3.92 118.16 114.47 3gbe n LYS 130 Ca 0.09 0.26 0.03 0.00 -1.05 0.00 0.00 58.31 57.64 3gbe n LYS 130 Cb 0.32 -1.78 0.40 0.00 -0.65 0.00 0.00 35.03 33.32 3gbe n LYS 130 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3gbe h SER 131 N 0.00 0.11 -4.23 -5.58 4.64 -1.25 -3.45 113.55 103.79 3gbe h SER 131 Ca 0.00 -0.03 0.14 0.00 -0.47 0.00 0.00 61.79 61.43 3gbe h SER 131 Cb 0.57 -0.03 -0.20 0.00 -0.31 0.00 0.00 62.40 62.43 3gbe h SER 131 CO 0.00 0.35 0.62 -0.94 -0.87 0.00 0.00 176.83 175.99 3gbe s SER 132 N -6.93 -0.29 0.55 4.97 1.04 -1.25 -4.98 113.70 106.80 3gbe s SER 132 Ca -0.04 0.16 0.36 0.00 0.48 0.00 0.00 55.95 56.91 3gbe s SER 132 Cb 0.15 0.27 1.70 0.00 0.10 0.00 0.00 66.02 68.24 3gbe s SER 132 CO 0.72 -0.38 2.08 0.11 0.98 0.00 0.00 173.24 176.75 3gbe h LYS 133 N 2.23 0.00 -0.22 4.02 1.57 -1.89 -2.50 116.57 119.77 3gbe h LYS 133 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3gbe h LYS 133 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3gbe h LYS 133 CO 0.29 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.77 3gbe n ASP 134 N -2.94 3.18 -4.77 0.86 5.75 -1.26 -4.85 116.55 112.51 3gbe n ASP 134 Ca -0.01 -1.96 -0.40 0.00 -0.01 0.00 0.00 54.79 52.41 3gbe n ASP 134 Cb 0.19 -0.13 0.01 0.00 -1.03 0.00 0.00 41.12 40.16 3gbe n ASP 134 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3gbe s ASN 135 N -1.64 6.10 0.57 -1.12 3.84 -0.94 -4.85 114.94 116.89 3gbe s ASN 135 Ca 0.32 2.85 0.27 0.00 0.21 0.00 0.00 52.86 56.52 3gbe s ASN 135 Cb 0.21 -2.65 1.50 0.00 -0.55 0.00 0.00 41.25 39.76 3gbe s ASN 135 CO 0.29 -1.02 2.01 -0.65 -2.79 0.00 0.00 177.10 174.95 3gbe h PRO 136 N 2.56 0.00 -0.38 0.43 0.11 -1.91 0.17 132.00 132.98 3gbe h PRO 136 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gbe h PRO 136 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gbe h PRO 136 CO 0.62 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.07 3gbe n TYR 137 N -4.01 0.49 -0.23 0.65 4.02 -1.26 -4.42 117.16 112.40 3gbe n TYR 137 Ca 0.06 -0.25 0.02 0.00 -0.01 0.00 0.00 57.90 57.73 3gbe n TYR 137 Cb 0.51 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.97 3gbe n TYR 137 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3gbe h ARG 138 N 3.41 0.46 -0.29 -0.72 9.65 -1.16 -0.72 114.38 125.01 3gbe h ARG 138 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3gbe h ARG 138 Cb 0.76 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 3gbe h ARG 138 CO 0.00 0.30 0.00 0.41 2.80 0.00 0.00 179.97 183.48 3gbe n GLY 139 N -1.31 -0.20 0.06 2.80 0.00 -1.26 -3.18 105.19 102.11 3gbe n GLY 139 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3gbe n GLY 139 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gbe n TYR 140 N -0.33 0.51 -4.43 1.61 4.02 -0.28 -4.65 117.16 113.62 3gbe n TYR 140 Ca 0.00 0.15 -0.22 0.00 -0.01 0.00 0.00 57.90 57.81 3gbe n TYR 140 Cb 0.07 -0.69 -0.07 0.00 -0.02 0.00 0.00 39.34 38.63 3gbe n TYR 140 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gbe n TYR 141 N -1.95 0.01 -3.68 -0.72 4.02 -1.19 -0.24 117.16 113.41 3gbe n TYR 141 Ca 0.05 -2.41 -0.39 0.00 -0.01 0.00 0.00 57.90 55.14 3gbe n TYR 141 Cb 0.40 0.03 -0.12 0.00 -0.02 0.00 0.00 39.34 39.63 3gbe n TYR 141 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3gbe s PHE 142 N -2.99 3.25 -0.10 -0.72 0.40 -1.26 -4.69 117.98 111.87 3gbe s PHE 142 Ca 0.21 -1.20 0.01 0.00 -0.60 0.00 0.00 56.93 55.35 3gbe s PHE 142 Cb 0.01 -2.35 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 3gbe s PHE 142 CO 0.15 -0.69 -0.12 -1.58 0.70 0.00 0.00 175.22 173.68 3gbe s TRP 143 N 1.47 2.80 0.02 0.36 0.52 -1.26 -1.82 118.94 121.03 3gbe s TRP 143 Ca 0.00 -0.44 -0.07 0.00 0.02 0.00 0.00 56.10 55.61 3gbe s TRP 143 Cb -0.19 -1.78 -0.00 0.00 -1.15 0.00 0.00 33.47 30.34 3gbe s TRP 143 CO 0.05 -0.05 0.13 0.21 0.02 0.00 0.00 176.95 177.31 3gbe s LYS 144 N -0.03 0.53 0.68 4.98 2.20 -0.03 -4.94 119.74 123.12 3gbe s LYS 144 Ca -0.03 -0.52 -0.12 0.00 -0.36 0.00 0.00 55.97 54.95 3gbe s LYS 144 Cb -0.14 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 3gbe s LYS 144 CO 0.04 -0.13 1.06 -0.51 -0.36 0.00 0.00 175.35 175.45 3gbe s ASP 145 N -1.65 5.39 0.75 1.43 1.01 -1.26 -0.54 116.67 121.80 3gbe s ASP 145 Ca -0.11 1.70 -0.14 0.00 0.71 0.00 0.00 52.55 54.71 3gbe s ASP 145 Cb -0.05 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.42 3gbe s ASP 145 CO -0.01 -1.44 1.16 0.00 0.21 0.00 0.00 175.17 175.10 3gbe s ALA 146 N -2.85 2.10 -0.33 5.23 0.00 -1.26 -4.29 121.76 120.36 3gbe s ALA 146 Ca 0.60 0.69 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 3gbe s ALA 146 Cb -0.15 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.62 3gbe s ALA 146 CO 0.50 -1.89 0.06 0.15 0.00 0.00 0.00 175.76 174.58 3gbe s LYS 147 N -4.18 2.38 -1.34 0.00 3.01 0.27 -4.58 119.74 115.29 3gbe s LYS 147 Ca 0.70 -1.36 -0.06 0.00 -1.01 0.00 0.00 55.97 54.24 3gbe s LYS 147 Cb -0.25 -3.31 0.02 0.00 -1.01 0.00 0.00 37.83 33.28 3gbe s LYS 147 CO 0.48 -0.72 0.99 0.39 0.51 0.00 0.00 175.35 177.00 3gbe n GLU 148 N 4.65 -6.44 -0.94 1.68 4.71 -1.26 -1.49 120.64 121.54 3gbe n GLU 148 Ca -0.11 0.74 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 3gbe n GLU 148 Cb 0.43 -5.64 0.00 0.00 -1.01 0.00 0.00 31.44 25.22 3gbe n GLU 148 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gbe n GLY 149 N -1.62 0.30 3.75 0.62 0.00 -1.26 -4.97 105.19 102.01 3gbe n GLY 149 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3gbe n GLY 149 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gbe s GLN 150 N -0.91 2.17 0.65 1.61 -1.52 -0.56 -5.03 119.66 116.06 3gbe s GLN 150 Ca 0.00 -2.30 -0.18 0.00 -1.95 0.00 0.00 55.36 50.94 3gbe s GLN 150 Cb 0.00 -1.62 -0.02 0.00 -0.22 0.00 0.00 33.01 31.15 3gbe s GLN 150 CO 0.00 -0.33 1.06 0.00 -0.25 0.00 0.00 175.29 175.77 3gbe n ALA 151 N -1.26 0.35 -0.34 6.09 0.00 -1.26 -0.56 120.51 123.52 3gbe n ALA 151 Ca -0.15 -0.05 0.21 0.00 0.00 0.00 0.00 53.44 53.45 3gbe n ALA 151 Cb 0.67 -2.17 0.44 0.00 0.00 0.00 0.00 19.45 18.38 3gbe n ALA 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gbe h PRO 152 N 0.29 0.46 0.00 0.00 0.11 -1.90 -3.35 132.00 127.61 3gbe h PRO 152 Ca -0.49 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3gbe h PRO 152 Cb 1.35 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gbe h PRO 152 CO 0.50 0.31 0.09 0.27 -0.21 0.00 0.00 178.00 178.96 3gbe n ASN 153 N -4.84 -0.97 -1.20 -2.05 2.04 -1.26 -4.73 115.26 102.25 3gbe n ASN 153 Ca 0.28 -1.77 0.02 0.00 -0.44 0.00 0.00 54.58 52.67 3gbe n ASN 153 Cb 0.84 1.65 0.19 0.00 -2.53 0.00 0.00 39.78 39.93 3gbe n ASN 153 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 3gbe n ASN 154 N -1.38 3.27 -4.70 0.53 0.23 -1.26 -4.96 115.26 106.99 3gbe n ASN 154 Ca -0.03 -2.47 -0.43 0.00 -0.53 0.00 0.00 54.58 51.12 3gbe n ASN 154 Cb 0.27 -0.60 -0.03 0.00 -2.08 0.00 0.00 39.78 37.35 3gbe n ASN 154 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3gbe n TYR 155 N 0.25 2.62 -3.67 -2.53 0.53 -1.26 -4.88 117.16 108.23 3gbe n TYR 155 Ca 0.14 0.05 -0.25 0.00 -1.02 0.00 0.00 57.90 56.83 3gbe n TYR 155 Cb 0.73 -2.66 -0.02 0.00 -1.03 0.00 0.00 39.34 36.36 3gbe n TYR 155 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 3gbe s PRO 156 N 1.44 3.50 0.14 -0.72 0.04 -1.26 -1.10 135.00 137.04 3gbe s PRO 156 Ca 0.77 -0.42 -0.07 0.00 0.04 0.00 0.00 61.00 61.33 3gbe s PRO 156 Cb -0.54 -2.81 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 3gbe s PRO 156 CO 0.35 0.35 0.41 0.45 0.04 0.00 0.00 177.00 178.59 3gbe s SER 157 N -3.53 6.54 0.53 6.66 0.15 0.15 -4.36 113.70 119.84 3gbe s SER 157 Ca 0.38 0.68 0.27 0.00 0.70 0.00 0.00 55.95 57.98 3gbe s SER 157 Cb -0.10 -2.13 1.46 0.00 -1.71 0.00 0.00 66.02 63.54 3gbe s SER 157 CO 0.31 0.06 2.08 -0.26 1.20 0.00 0.00 173.24 176.63 3gbe h PHE 158 N 2.96 0.00 -0.45 3.44 -1.00 -0.81 -2.80 116.94 118.28 3gbe h PHE 158 Ca -0.47 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.31 3gbe h PHE 158 Cb 1.17 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.73 3gbe h PHE 158 CO 0.62 0.11 0.00 1.19 -1.61 0.00 0.00 178.31 178.63 3gbe n PHE 159 N -3.67 1.64 0.00 -0.55 0.99 -1.26 -4.93 117.46 109.68 3gbe n PHE 159 Ca -0.02 -0.80 0.00 0.00 -0.00 0.00 0.00 57.45 56.64 3gbe n PHE 159 Cb 0.23 -0.44 0.00 0.00 -1.00 0.00 0.00 39.48 38.27 3gbe n PHE 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gbe n GLY 160 N 0.16 2.77 7.00 1.37 0.00 -1.06 -4.14 105.19 111.30 3gbe n GLY 160 Ca 0.25 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3gbe n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbe n GLY 161 N 1.01 0.04 3.79 -0.02 0.00 -1.26 -4.44 105.19 104.31 3gbe n GLY 161 Ca 0.00 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 3gbe n GLY 161 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gbe s SER 162 N -4.00 6.73 0.00 1.61 0.15 -1.26 -0.67 113.70 116.25 3gbe s SER 162 Ca 0.00 1.95 0.14 0.00 0.70 0.00 0.00 55.95 58.74 3gbe s SER 162 Cb 0.00 -2.57 0.67 0.00 -1.71 0.00 0.00 66.02 62.40 3gbe s SER 162 CO 0.00 -0.51 1.45 0.00 1.20 0.00 0.00 173.24 175.38 3gbe n ALA 163 N -0.32 2.54 -3.37 5.45 0.00 -0.26 -4.30 120.51 120.26 3gbe n ALA 163 Ca 0.06 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 3gbe n ALA 163 Cb 0.51 -1.14 -0.15 0.00 0.00 0.00 0.00 19.45 18.67 3gbe n ALA 163 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3gbe s TRP 164 N -1.88 2.75 -0.18 0.00 0.52 -1.26 -0.05 118.94 118.84 3gbe s TRP 164 Ca 0.22 -0.99 -0.02 0.00 0.02 0.00 0.00 56.10 55.34 3gbe s TRP 164 Cb 0.11 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 30.57 3gbe s TRP 164 CO 0.17 -0.43 -0.10 -1.14 0.02 0.00 0.00 176.95 175.47 3gbe s GLN 165 N 0.66 3.33 0.20 4.98 2.00 -0.36 -4.90 119.66 125.57 3gbe s GLN 165 Ca -0.08 -0.68 -0.30 0.00 -2.00 0.00 0.00 55.36 52.30 3gbe s GLN 165 Cb -0.16 -2.79 -0.08 0.00 0.80 0.00 0.00 33.01 30.78 3gbe s GLN 165 CO 0.02 -0.02 1.14 0.21 -0.50 0.00 0.00 175.29 176.14 3gbe s LYS 166 N 0.96 4.55 -0.27 1.67 2.47 -1.26 -1.25 119.74 126.61 3gbe s LYS 166 Ca -0.02 1.80 0.00 0.00 -1.56 0.00 0.00 55.97 56.20 3gbe s LYS 166 Cb -0.15 -3.25 0.05 0.00 -1.46 0.00 0.00 37.83 33.03 3gbe s LYS 166 CO -0.01 0.02 -0.06 0.34 0.16 0.00 0.00 175.35 175.80 3gbe s ASP 167 N -0.12 4.57 0.49 1.43 -1.08 0.03 -4.96 116.67 117.03 3gbe s ASP 167 Ca 0.50 -1.26 0.25 0.00 -0.52 0.00 0.00 52.55 51.52 3gbe s ASP 167 Cb -0.31 -1.63 1.24 0.00 -1.46 0.00 0.00 42.92 40.76 3gbe s ASP 167 CO 0.37 -0.21 1.98 -0.33 0.52 0.00 0.00 175.17 177.51 3gbe h GLU 168 N 7.90 0.00 -0.64 4.34 4.39 -1.96 -1.48 114.58 127.14 3gbe h GLU 168 Ca -0.22 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 3gbe h GLU 168 Cb 1.06 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 3gbe h GLU 168 CO 0.51 0.17 0.31 -0.22 -1.16 0.00 0.00 179.01 178.62 3gbe h LYS 169 N 0.00 0.91 -0.09 2.33 3.64 -1.94 -3.17 116.57 118.26 3gbe h LYS 169 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3gbe h LYS 169 Cb 0.47 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3gbe h LYS 169 CO 0.02 0.73 0.00 0.25 -2.27 0.00 0.00 179.45 178.18 3gbe n THR 170 N -4.50 0.18 -3.72 1.00 -2.24 -1.19 -5.00 114.28 98.82 3gbe n THR 170 Ca 0.04 -0.59 -0.24 0.00 -2.27 0.00 0.00 64.05 61.00 3gbe n THR 170 Cb 0.12 1.14 0.04 0.00 -2.10 0.00 0.00 70.33 69.54 3gbe n THR 170 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gbe n ASN 171 N 0.77 -3.10 -4.00 3.42 4.05 -0.57 -4.99 115.26 110.84 3gbe n ASN 171 Ca 0.09 -0.74 -0.09 0.00 0.45 0.00 0.00 54.58 54.29 3gbe n ASN 171 Cb 0.36 -4.28 -0.08 0.00 1.23 0.00 0.00 39.78 37.01 3gbe n ASN 171 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3gbe s GLN 172 N -6.14 1.00 0.06 1.20 -0.21 -1.16 -4.66 119.66 109.75 3gbe s GLN 172 Ca 0.28 -1.20 0.04 0.00 0.02 0.00 0.00 55.36 54.50 3gbe s GLN 172 Cb -0.14 0.33 -0.04 0.00 1.00 0.00 0.00 33.01 34.16 3gbe s GLN 172 CO 0.80 -0.33 -0.01 0.71 -2.12 0.00 0.00 175.29 174.34 3gbe s TYR 173 N -3.96 3.00 0.17 0.91 1.51 0.30 -0.79 117.35 118.49 3gbe s TYR 173 Ca 0.16 0.00 0.09 0.00 -1.01 0.00 0.00 57.07 56.31 3gbe s TYR 173 Cb 0.05 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 3gbe s TYR 173 CO -0.02 0.46 -0.09 1.52 -1.11 0.00 0.00 175.55 176.31 3gbe s TYR 174 N -1.22 2.65 0.01 2.71 -0.85 -0.38 -0.85 117.35 119.42 3gbe s TYR 174 Ca 0.23 -0.21 -0.22 0.00 -0.52 0.00 0.00 57.07 56.35 3gbe s TYR 174 Cb -0.12 -1.31 -0.05 0.00 0.38 0.00 0.00 41.96 40.86 3gbe s TYR 174 CO 0.15 0.50 0.67 -1.17 -1.52 0.00 0.00 175.55 174.18 3gbe s LEU 175 N -2.74 4.42 -0.26 -3.49 2.96 -0.76 -1.23 118.68 117.59 3gbe s LEU 175 Ca 0.24 1.27 -0.03 0.00 -0.22 0.00 0.00 54.13 55.40 3gbe s LEU 175 Cb -0.09 -3.06 0.11 0.00 0.50 0.00 0.00 46.19 43.65 3gbe s LEU 175 CO 0.15 0.05 0.22 -1.38 -1.32 0.00 0.00 176.35 174.07 3gbe s HIS 176 N -0.03 -0.19 0.34 5.38 -3.43 0.93 -1.43 115.29 116.86 3gbe s HIS 176 Ca 0.35 -0.23 0.05 0.00 -0.80 0.00 0.00 55.06 54.43 3gbe s HIS 176 Cb -0.19 -0.55 0.62 0.00 -1.43 0.00 0.00 32.58 31.03 3gbe s HIS 176 CO 0.19 -0.78 1.87 1.88 -2.00 0.00 0.00 174.74 175.90 3gbe h TYR 177 N 8.32 0.50 0.00 0.38 0.99 -1.79 -3.40 116.97 121.96 3gbe h TYR 177 Ca -0.16 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.52 3gbe h TYR 177 Cb 1.09 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 38.67 3gbe h TYR 177 CO 0.23 0.52 0.00 1.19 -0.00 0.00 0.00 178.16 180.10 3gbe n PHE 178 N -4.27 0.00 -1.24 4.88 3.01 -1.26 -0.17 117.46 118.40 3gbe n PHE 178 Ca 0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 3gbe n PHE 178 Cb 0.25 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.82 3gbe n PHE 178 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gbe s ALA 179 N -3.01 2.22 0.53 4.37 0.00 -1.26 -4.44 121.76 120.16 3gbe s ALA 179 Ca 0.00 0.27 0.35 0.00 0.00 0.00 0.00 51.96 52.57 3gbe s ALA 179 Cb 0.00 -3.28 1.90 0.00 0.00 0.00 0.00 23.12 21.74 3gbe s ALA 179 CO 0.00 -1.81 2.23 1.57 0.00 0.00 0.00 175.76 177.75 3gbe h LYS 180 N -1.16 0.00 -0.13 0.00 2.10 -1.94 0.14 116.57 115.58 3gbe h LYS 180 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3gbe h LYS 180 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3gbe h LYS 180 CO 0.51 0.03 0.00 1.04 -2.00 0.00 0.00 179.45 179.03 3gbe n GLN 181 N -3.48 1.33 -3.18 0.07 3.00 -1.26 -4.22 117.38 109.65 3gbe n GLN 181 Ca -0.02 -0.51 -0.25 0.00 -0.01 0.00 0.00 57.00 56.20 3gbe n GLN 181 Cb 0.14 -1.17 -0.06 0.00 0.00 0.00 0.00 30.24 29.15 3gbe n GLN 181 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3gbe n GLN 182 N -0.13 2.39 -1.84 -1.09 6.02 0.47 -1.36 117.38 121.83 3gbe n GLN 182 Ca 0.07 -4.40 -0.41 0.00 -0.01 0.00 0.00 57.00 52.25 3gbe n GLN 182 Cb 0.14 -2.05 -0.01 0.00 1.02 0.00 0.00 30.24 29.33 3gbe n GLN 182 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3gbe s PRO 183 N -2.71 4.15 0.20 -1.09 0.04 -1.12 -4.51 135.00 129.97 3gbe s PRO 183 Ca 0.43 2.51 -0.30 0.00 0.04 0.00 0.00 61.00 63.68 3gbe s PRO 183 Cb 0.23 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.67 3gbe s PRO 183 CO -0.08 -0.53 1.09 -0.51 0.04 0.00 0.00 177.00 177.00 3gbe s ASP 184 N 0.17 7.29 0.38 6.66 1.11 -0.51 -2.02 116.67 129.75 3gbe s ASP 184 Ca 0.58 2.10 -0.24 0.00 0.18 0.00 0.00 52.55 55.17 3gbe s ASP 184 Cb -0.46 -2.61 -0.09 0.00 1.07 0.00 0.00 42.92 40.83 3gbe s ASP 184 CO 0.53 -0.18 1.01 -0.76 1.18 0.00 0.00 175.17 176.95 3gbe s LEU 185 N -0.58 4.18 -0.88 1.23 1.43 -0.04 -4.00 118.68 120.02 3gbe s LEU 185 Ca 0.48 1.96 -0.19 0.00 -1.03 0.00 0.00 54.13 55.35 3gbe s LEU 185 Cb -0.29 -4.17 0.13 0.00 0.03 0.00 0.00 46.19 41.89 3gbe s LEU 185 CO 0.36 -0.37 1.07 0.21 0.23 0.00 0.00 176.35 177.85 3gbe s ASN 186 N -1.63 6.57 0.20 2.29 2.47 0.67 -4.85 114.94 120.66 3gbe s ASN 186 Ca 0.56 -1.95 0.20 0.00 0.42 0.00 0.00 52.86 52.09 3gbe s ASN 186 Cb -0.20 -2.39 0.89 0.00 -1.45 0.00 0.00 41.25 38.10 3gbe s ASN 186 CO 0.25 -1.07 1.61 0.79 -3.72 0.00 0.00 177.10 174.96 3gbe n TRP 187 N 6.50 0.60 0.51 0.43 7.02 -1.26 -1.75 117.44 129.49 3gbe n TRP 187 Ca 0.19 0.25 0.12 0.00 -1.02 0.00 0.00 57.50 57.04 3gbe n TRP 187 Cb 0.48 -0.90 0.45 0.00 -2.42 0.00 0.00 31.31 28.92 3gbe n TRP 187 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3gbe n ASP 188 N -2.06 0.55 -4.54 -0.99 8.00 -1.26 -4.54 116.55 111.71 3gbe n ASP 188 Ca 0.02 0.61 -0.43 0.00 0.71 0.00 0.00 54.79 55.70 3gbe n ASP 188 Cb 0.17 -0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 40.48 3gbe n ASP 188 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3gbe s ASN 189 N -4.02 6.37 0.46 -2.24 3.84 -0.72 -4.95 114.94 113.69 3gbe s ASN 189 Ca 0.07 -0.16 0.22 0.00 0.21 0.00 0.00 52.86 53.20 3gbe s ASN 189 Cb 0.11 -2.34 1.23 0.00 -0.55 0.00 0.00 41.25 39.70 3gbe s ASN 189 CO 0.43 -0.78 1.87 -0.65 -2.79 0.00 0.00 177.10 175.18 3gbe h PRO 190 N 8.81 0.25 -0.31 0.43 0.11 -1.87 0.26 132.00 139.68 3gbe h PRO 190 Ca -0.25 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 3gbe h PRO 190 Cb 1.10 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3gbe h PRO 190 CO 0.90 0.16 -0.09 0.87 -0.21 0.00 0.00 178.00 179.63 3gbe h LYS 191 N 0.25 0.51 0.03 1.05 1.57 -1.94 -0.42 116.57 117.63 3gbe h LYS 191 Ca 0.45 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3gbe h LYS 191 Cb 1.34 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3gbe h LYS 191 CO -0.12 0.60 -0.01 0.28 -0.57 0.00 0.00 179.45 179.63 3gbe h VAL 192 N 0.47 1.18 -0.64 0.50 2.07 -1.23 -1.54 116.25 117.08 3gbe h VAL 192 Ca 0.09 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.98 3gbe h VAL 192 Cb 0.45 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 3gbe h VAL 192 CO 0.02 0.17 0.36 0.03 0.02 0.00 0.00 177.57 178.18 3gbe h ARG 193 N -0.34 0.67 -0.77 1.57 3.08 -1.26 0.56 114.38 117.89 3gbe h ARG 193 Ca -0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3gbe h ARG 193 Cb 0.31 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3gbe h ARG 193 CO 0.01 0.44 0.28 1.96 -1.07 0.00 0.00 179.97 181.59 3gbe h GLN 194 N 0.69 1.17 -0.43 0.04 1.08 -1.01 -0.45 115.11 116.21 3gbe h GLN 194 Ca 0.27 -0.23 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 3gbe h GLN 194 Cb 0.12 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 3gbe h GLN 194 CO -0.15 0.97 -0.19 -0.44 -0.95 0.00 0.00 178.83 178.07 3gbe h ASP 195 N 1.13 0.83 -0.61 1.46 3.32 -0.53 -1.73 116.42 120.29 3gbe h ASP 195 Ca 0.25 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 3gbe h ASP 195 Cb 0.26 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3gbe h ASP 195 CO -0.02 1.01 0.08 -0.07 -1.72 0.00 0.00 179.24 178.53 3gbe h LEU 196 N 0.73 0.98 -0.82 1.55 3.38 -0.40 -1.61 115.31 119.11 3gbe h LEU 196 Ca 0.11 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3gbe h LEU 196 Cb 0.71 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3gbe h LEU 196 CO 0.05 1.00 0.28 1.88 0.09 0.00 0.00 178.44 181.74 3gbe h TYR 197 N 0.92 1.18 -0.77 1.13 0.05 -0.90 -0.56 116.97 118.03 3gbe h TYR 197 Ca 0.18 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 3gbe h TYR 197 Cb 0.45 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 37.80 3gbe h TYR 197 CO 0.03 0.91 0.37 0.00 -1.05 0.00 0.00 178.16 178.43 3gbe h ALA 198 N 1.18 1.21 -0.62 3.88 0.00 -1.07 -1.63 119.26 122.21 3gbe h ALA 198 Ca 0.25 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3gbe h ALA 198 Cb 0.25 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3gbe h ALA 198 CO -0.02 0.61 0.14 1.98 0.00 0.00 0.00 179.25 181.96 3gbe h MET 199 N 1.09 1.00 -0.73 0.00 1.85 -0.44 -2.30 114.93 115.39 3gbe h MET 199 Ca 0.27 -0.25 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 3gbe h MET 199 Cb 0.10 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 31.97 3gbe h MET 199 CO -0.04 0.91 0.42 -0.07 -0.40 0.00 0.00 176.91 177.74 3gbe h LEU 200 N 0.91 0.90 -1.25 3.39 3.38 -0.63 -2.13 115.31 119.88 3gbe h LEU 200 Ca 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3gbe h LEU 200 Cb 0.38 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3gbe h LEU 200 CO 0.00 0.72 0.27 0.03 0.09 0.00 0.00 178.44 179.56 3gbe h ARG 201 N 1.01 0.79 -0.68 1.13 3.08 -0.95 0.41 114.38 119.16 3gbe h ARG 201 Ca 0.26 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.29 3gbe h ARG 201 Cb 0.00 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.84 3gbe h ARG 201 CO -0.05 0.62 0.36 0.35 -1.07 0.00 0.00 179.97 180.18 3gbe h PHE 202 N 0.80 0.66 0.23 3.04 3.57 -0.84 0.12 116.94 124.52 3gbe h PHE 202 Ca 0.20 0.03 -0.33 0.00 3.53 0.00 0.00 57.97 61.40 3gbe h PHE 202 Cb 0.08 -0.20 0.03 0.00 2.79 0.00 0.00 35.95 38.66 3gbe h PHE 202 CO 0.01 0.29 -1.44 -1.49 -2.23 0.00 0.00 178.31 173.44 3gbe h TRP 203 N 0.65 0.91 -0.21 0.41 4.06 -1.22 -3.31 115.95 117.26 3gbe h TRP 203 Ca 0.32 -0.66 -0.06 0.00 2.06 0.00 0.00 58.89 60.54 3gbe h TRP 203 Cb 0.26 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 3gbe h TRP 203 CO -0.09 1.52 -0.15 -0.07 -3.56 0.00 0.00 178.44 176.09 3gbe h LEU 204 N 0.14 0.33 0.00 -4.49 3.38 -0.70 -1.85 115.31 112.12 3gbe h LEU 204 Ca -0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3gbe h LEU 204 Cb 2.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.80 3gbe h LEU 204 CO 0.27 0.50 0.00 0.47 0.09 0.00 0.00 178.44 179.77 3gbe n ASP 205 N -4.23 0.00 -0.20 -0.43 8.00 0.38 -1.61 116.55 118.47 3gbe n ASP 205 Ca -0.00 0.36 0.15 0.00 0.71 0.00 0.00 54.79 56.01 3gbe n ASP 205 Cb 0.30 -0.44 0.72 0.00 -0.02 0.00 0.00 41.12 41.68 3gbe n ASP 205 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gbe n LYS 206 N -1.44 1.16 -0.13 -1.24 5.02 -0.70 -4.91 118.16 115.93 3gbe n LYS 206 Ca 0.06 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 3gbe n LYS 206 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3gbe n LYS 206 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gbe n GLY 207 N 1.13 0.93 3.77 0.72 0.00 -0.63 -5.03 105.19 106.08 3gbe n GLY 207 Ca 0.20 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3gbe n GLY 207 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gbe s VAL 208 N -2.00 2.97 -1.09 1.61 -7.23 -1.25 -4.86 120.40 108.55 3gbe s VAL 208 Ca 0.00 0.88 0.22 0.00 -1.81 0.00 0.00 61.98 61.27 3gbe s VAL 208 Cb 0.00 -3.52 -0.14 0.00 0.56 0.00 0.00 36.38 33.28 3gbe s VAL 208 CO 0.00 0.13 1.06 -1.20 -0.31 0.00 0.00 175.10 174.78 3gbe n SER 209 N 0.34 0.94 -3.55 4.85 7.64 0.09 -4.87 113.62 119.06 3gbe n SER 209 Ca 0.03 -0.84 -0.13 0.00 1.01 0.00 0.00 58.87 58.93 3gbe n SER 209 Cb 0.45 0.75 -0.04 0.00 -1.01 0.00 0.00 64.21 64.36 3gbe n SER 209 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gbe s GLY 210 N -2.95 -0.45 -0.05 0.23 0.00 -0.62 -1.56 107.32 101.92 3gbe s GLY 210 Ca 0.10 0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.33 3gbe s GLY 210 CO 0.80 0.19 -0.11 1.08 0.00 0.00 0.00 173.10 175.05 3gbe s LEU 211 N -2.25 1.71 -0.26 0.66 1.43 -0.15 -1.28 118.68 118.54 3gbe s LEU 211 Ca -0.03 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3gbe s LEU 211 Cb -0.00 -0.73 0.02 0.00 0.03 0.00 0.00 46.19 45.51 3gbe s LEU 211 CO -0.05 0.06 -0.01 -0.60 0.23 0.00 0.00 176.35 175.97 3gbe s ARG 212 N 0.42 2.96 -0.39 1.70 3.00 0.22 -0.26 118.95 126.60 3gbe s ARG 212 Ca -0.09 -0.91 -0.22 0.00 -1.00 0.00 0.00 55.73 53.51 3gbe s ARG 212 Cb -0.13 -3.13 0.01 0.00 0.00 0.00 0.00 34.95 31.71 3gbe s ARG 212 CO 0.02 -0.40 0.73 -0.06 0.00 0.00 0.00 175.30 175.59 3gbe s PHE 213 N 1.40 3.08 0.16 5.12 0.40 0.42 -0.71 117.98 127.84 3gbe s PHE 213 Ca 0.01 0.33 -0.31 0.00 -0.60 0.00 0.00 56.93 56.36 3gbe s PHE 213 Cb -0.17 -3.40 -0.09 0.00 0.51 0.00 0.00 43.02 39.87 3gbe s PHE 213 CO -0.02 -0.79 1.49 0.34 0.70 0.00 0.00 175.22 176.94 3gbe s ASP 214 N 1.93 6.68 -1.03 1.36 -1.08 -0.24 -1.66 116.67 122.63 3gbe s ASP 214 Ca 0.28 2.52 -0.13 0.00 -0.52 0.00 0.00 52.55 54.70 3gbe s ASP 214 Cb -0.13 -2.59 0.02 0.00 -1.46 0.00 0.00 42.92 38.75 3gbe s ASP 214 CO 0.18 -0.75 0.25 1.07 0.52 0.00 0.00 175.17 176.44 3gbe n THR 215 N 3.78 -1.33 0.27 1.71 5.66 -1.23 -4.59 114.28 118.55 3gbe n THR 215 Ca 0.12 -0.40 0.13 0.00 -3.05 0.00 0.00 64.05 60.85 3gbe n THR 215 Cb 0.40 -1.18 0.77 0.00 -1.55 0.00 0.00 70.33 68.77 3gbe n THR 215 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 3gbe h VAL 216 N -1.12 0.60 -0.00 1.08 3.04 -1.49 -2.78 116.25 115.58 3gbe h VAL 216 Ca -0.51 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.81 3gbe h VAL 216 Cb 1.04 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 3gbe h VAL 216 CO 0.46 0.08 -0.02 0.00 -1.01 0.00 0.00 177.57 177.08 3gbe n ALA 217 N -2.31 2.66 -0.00 3.17 0.00 -1.26 -3.88 120.51 118.88 3gbe n ALA 217 Ca -0.02 -0.27 0.09 0.00 0.00 0.00 0.00 53.44 53.24 3gbe n ALA 217 Cb 0.19 -1.40 0.21 0.00 0.00 0.00 0.00 19.45 18.45 3gbe n ALA 217 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gbe n THR 218 N -0.72 0.73 0.08 0.00 -2.24 -1.05 -4.25 114.28 106.83 3gbe n THR 218 Ca 0.21 -0.86 0.07 0.00 -2.27 0.00 0.00 64.05 61.19 3gbe n THR 218 Cb 0.21 0.74 0.52 0.00 -2.10 0.00 0.00 70.33 69.70 3gbe n THR 218 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3gbe h TYR 219 N 3.48 0.30 -3.64 4.78 0.99 -1.76 -3.40 116.97 117.72 3gbe h TYR 219 Ca 0.00 0.01 -0.63 0.00 2.00 0.00 0.00 58.73 60.10 3gbe h TYR 219 Cb 0.86 -0.10 -0.15 0.00 1.00 0.00 0.00 36.73 38.34 3gbe h TYR 219 CO 0.28 0.18 -0.11 0.45 -0.00 0.00 0.00 178.16 178.97 3gbe s SER 220 N -6.76 6.32 0.48 3.88 0.15 -1.26 -4.34 113.70 112.17 3gbe s SER 220 Ca -0.07 0.18 -0.06 0.00 0.70 0.00 0.00 55.95 56.70 3gbe s SER 220 Cb 0.18 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 3gbe s SER 220 CO 0.71 -0.34 0.79 -0.54 1.20 0.00 0.00 173.24 175.07 3gbe s LYS 221 N 2.26 3.58 -0.15 5.44 3.01 -1.26 -3.63 119.74 128.98 3gbe s LYS 221 Ca 0.18 0.26 -0.29 0.00 -1.01 0.00 0.00 55.97 55.11 3gbe s LYS 221 Cb -0.16 -2.36 -0.01 0.00 -1.01 0.00 0.00 37.83 34.29 3gbe s LYS 221 CO 0.11 -0.20 1.07 0.42 0.51 0.00 0.00 175.35 177.26 3gbe s ILE 222 N -2.71 4.63 0.09 2.17 1.01 -1.26 -4.47 121.20 120.66 3gbe s ILE 222 Ca 0.48 1.94 -0.36 0.00 0.00 0.00 0.00 60.65 62.71 3gbe s ILE 222 Cb -0.10 -4.25 -0.16 0.00 0.01 0.00 0.00 42.46 37.96 3gbe s ILE 222 CO 0.43 -0.08 1.41 -2.65 0.00 0.00 0.00 174.94 174.05 3gbe n PRO 223 N 5.67 1.36 -0.90 2.79 -0.02 -1.26 -1.48 135.00 141.16 3gbe n PRO 223 Ca 0.11 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3gbe n PRO 223 Cb 0.47 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3gbe n PRO 223 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gbe n ASP 224 N 2.82 -2.52 -4.19 2.55 8.00 -1.26 -4.32 116.55 117.63 3gbe n ASP 224 Ca 0.18 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.28 3gbe n ASP 224 Cb 0.21 -1.60 -0.03 0.00 -0.02 0.00 0.00 41.12 39.68 3gbe n ASP 224 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gbe n PHE 225 N -2.30 -1.32 -1.62 1.24 0.99 -0.55 -4.92 117.46 108.98 3gbe n PHE 225 Ca 0.00 0.30 -0.32 0.00 -0.00 0.00 0.00 57.45 57.43 3gbe n PHE 225 Cb 0.13 -2.78 0.06 0.00 -1.00 0.00 0.00 39.48 35.89 3gbe n PHE 225 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3gbe s PRO 226 N -7.45 2.69 0.74 -1.08 0.04 -1.26 -4.78 135.00 123.90 3gbe s PRO 226 Ca 0.27 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 3gbe s PRO 226 Cb -0.15 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.48 3gbe s PRO 226 CO 0.99 -1.32 1.20 0.09 0.04 0.00 0.00 177.00 178.00 3gbe n ASN 227 N -2.75 1.35 -4.85 6.66 5.03 -1.26 -4.91 115.26 114.53 3gbe n ASN 227 Ca 0.10 0.69 -0.34 0.00 0.87 0.00 0.00 54.58 55.90 3gbe n ASN 227 Cb 0.52 -1.51 -0.06 0.00 -1.02 0.00 0.00 39.78 37.71 3gbe n ASN 227 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gbe s LEU 228 N -4.79 4.20 0.92 3.41 1.43 -1.26 -5.02 118.68 117.57 3gbe s LEU 228 Ca 0.77 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 3gbe s LEU 228 Cb -0.33 -3.69 0.14 0.00 0.03 0.00 0.00 46.19 42.34 3gbe s LEU 228 CO 0.47 -0.05 1.12 0.42 0.23 0.00 0.00 176.35 178.53 3gbe s THR 229 N -1.74 2.22 0.27 5.49 -4.23 -1.26 -4.80 115.64 111.60 3gbe s THR 229 Ca 0.46 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 61.03 3gbe s THR 229 Cb -0.13 -2.74 0.27 0.00 1.34 0.00 0.00 72.50 71.25 3gbe s THR 229 CO 0.19 -0.09 1.88 -0.61 -0.54 0.00 0.00 174.62 175.45 3gbe h GLN 230 N -1.55 1.13 -0.13 3.99 5.75 -2.00 -1.11 115.11 121.21 3gbe h GLN 230 Ca -0.51 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 57.89 3gbe h GLN 230 Cb 1.32 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 3gbe h GLN 230 CO 0.60 0.75 -0.04 0.37 -2.65 0.00 0.00 178.83 177.85 3gbe h GLN 231 N 1.16 0.25 -0.09 1.69 5.75 -2.01 -3.01 115.11 118.85 3gbe h GLN 231 Ca 0.44 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.86 3gbe h GLN 231 Cb 0.20 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 3gbe h GLN 231 CO -0.18 0.57 0.06 1.96 -2.65 0.00 0.00 178.83 178.59 3gbe h GLN 232 N -0.08 0.03 0.00 1.69 4.20 -1.78 -0.43 115.11 118.75 3gbe h GLN 232 Ca 0.03 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3gbe h GLN 232 Cb 0.48 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3gbe h GLN 232 CO 0.01 0.02 -0.21 1.25 -0.67 0.00 0.00 178.83 179.23 3gbe h LEU 233 N 0.03 0.00 -0.44 1.46 5.85 -1.08 -1.03 115.31 120.10 3gbe h LEU 233 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3gbe h LEU 233 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3gbe h LEU 233 CO -0.00 0.21 0.00 0.29 -0.34 0.00 0.00 178.44 178.60 3gbe n LYS 234 N -3.93 0.16 -2.89 1.25 5.02 -0.17 -3.75 118.16 113.85 3gbe n LYS 234 Ca -0.02 0.34 -0.12 0.00 -2.02 0.00 0.00 58.31 56.49 3gbe n LYS 234 Cb 0.30 -1.78 0.04 0.00 -0.02 0.00 0.00 35.03 33.57 3gbe n LYS 234 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3gbe n ASN 235 N -2.07 -1.51 0.24 4.39 2.85 -0.69 -3.55 115.26 114.92 3gbe n ASN 235 Ca 0.03 -3.34 0.10 0.00 -0.11 0.00 0.00 54.58 51.26 3gbe n ASN 235 Cb 0.25 1.06 0.61 0.00 1.24 0.00 0.00 39.78 42.94 3gbe n ASN 235 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 3gbe h PHE 236 N 3.37 0.00 -1.01 1.20 -5.15 -1.31 -2.77 116.94 111.27 3gbe h PHE 236 Ca -0.05 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.79 3gbe h PHE 236 Cb 1.03 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 37.13 3gbe h PHE 236 CO 0.28 0.18 0.65 0.00 -2.00 0.00 0.00 178.31 177.43 3gbe h ALA 237 N 1.82 1.41 -0.27 12.09 0.00 -1.92 0.38 119.26 132.75 3gbe h ALA 237 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3gbe h ALA 237 Cb 0.47 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gbe h ALA 237 CO 0.02 0.44 -0.29 0.00 0.00 0.00 0.00 179.25 179.42 3gbe h ALA 238 N 1.46 0.98 -0.24 0.00 0.00 -1.59 -2.92 119.26 116.95 3gbe h ALA 238 Ca 0.43 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3gbe h ALA 238 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gbe h ALA 238 CO -0.17 0.60 -0.20 0.93 0.00 0.00 0.00 179.25 180.41 3gbe h GLU 239 N 0.48 0.43 0.00 0.00 4.39 -0.98 -2.71 114.58 116.19 3gbe h GLU 239 Ca 0.06 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3gbe h GLU 239 Cb 0.76 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3gbe h GLU 239 CO 0.06 0.61 0.00 0.66 -1.16 0.00 0.00 179.01 179.18 3gbe n TYR 240 N -4.17 0.00 0.86 4.33 4.01 -0.56 -2.30 117.16 119.32 3gbe n TYR 240 Ca -0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 3gbe n TYR 240 Cb 0.36 -0.38 0.13 0.00 -0.31 0.00 0.00 39.34 39.14 3gbe n TYR 240 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3gbe n THR 241 N -1.38 0.11 -0.32 -0.72 -2.24 -1.02 -4.28 114.28 104.43 3gbe n THR 241 Ca 0.07 -0.55 -0.01 0.00 -2.27 0.00 0.00 64.05 61.29 3gbe n THR 241 Cb 0.19 1.38 0.23 0.00 -2.10 0.00 0.00 70.33 70.03 3gbe n THR 241 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gbe n LYS 242 N 1.37 3.13 -1.75 -0.78 5.02 -0.97 -4.88 118.16 119.29 3gbe n LYS 242 Ca 0.15 -2.07 -0.42 0.00 -2.02 0.00 0.00 58.31 53.96 3gbe n LYS 242 Cb 0.60 -1.95 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 3gbe n LYS 242 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gbe n GLY 243 N 0.14 1.14 0.00 0.72 0.00 -1.24 -4.89 105.19 101.07 3gbe n GLY 243 Ca 0.24 0.36 0.06 0.00 0.00 0.00 0.00 46.02 46.68 3gbe n GLY 243 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gbe n PRO 244 N 1.04 0.04 -0.07 1.61 -0.04 -1.26 -3.01 135.00 133.31 3gbe n PRO 244 Ca 0.04 0.27 0.03 0.00 -0.04 0.00 0.00 63.50 63.80 3gbe n PRO 244 Cb 0.37 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.38 3gbe n PRO 244 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gbe n ASN 245 N -1.45 1.66 -0.11 3.54 3.02 -1.26 -4.85 115.26 115.82 3gbe n ASN 245 Ca 0.03 -2.20 -0.09 0.00 -0.03 0.00 0.00 54.58 52.30 3gbe n ASN 245 Cb 0.13 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 3gbe n ASN 245 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gbe h ILE 246 N 1.01 1.12 -0.06 2.41 6.09 -1.88 -0.15 117.51 126.05 3gbe h ILE 246 Ca 0.00 -0.27 -0.16 0.00 -1.37 0.00 0.00 64.86 63.07 3gbe h ILE 246 Cb 0.80 0.66 -0.01 0.00 0.47 0.00 0.00 36.82 38.74 3gbe h ILE 246 CO 0.00 0.12 -0.65 0.45 -3.07 0.00 0.00 178.15 174.99 3gbe h HIS 247 N 0.45 0.34 -0.66 2.19 3.86 -1.88 -0.58 115.15 118.87 3gbe h HIS 247 Ca 0.13 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3gbe h HIS 247 Cb 0.00 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3gbe h HIS 247 CO -0.04 0.84 0.40 -0.09 0.86 0.00 0.00 177.93 179.89 3gbe h ARG 248 N 0.19 0.90 -0.26 2.45 2.43 -1.82 0.23 114.38 118.50 3gbe h ARG 248 Ca -0.01 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 3gbe h ARG 248 Cb 1.18 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3gbe h ARG 248 CO 0.10 0.65 -0.22 1.88 -1.51 0.00 0.00 179.97 180.87 3gbe h TYR 249 N 0.90 0.72 -0.61 2.20 0.99 -0.71 -0.01 116.97 120.46 3gbe h TYR 249 Ca 0.24 -0.21 -0.08 0.00 2.00 0.00 0.00 58.73 60.68 3gbe h TYR 249 Cb -0.02 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 37.53 3gbe h TYR 249 CO -0.01 0.91 0.07 0.28 -0.00 0.00 0.00 178.16 179.41 3gbe h VAL 250 N 0.33 1.26 -0.50 -2.88 2.07 -0.99 -0.50 116.25 115.05 3gbe h VAL 250 Ca 0.05 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.40 3gbe h VAL 250 Cb 0.77 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3gbe h VAL 250 CO 0.06 0.39 -0.15 -1.13 0.02 0.00 0.00 177.57 176.75 3gbe h ASN 251 N 0.94 0.97 -0.89 0.57 -0.73 -0.93 -1.36 115.58 114.15 3gbe h ASN 251 Ca 0.18 -0.33 -0.02 0.00 1.87 0.00 0.00 56.30 58.00 3gbe h ASN 251 Cb 0.46 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.75 3gbe h ASN 251 CO 0.02 1.10 0.47 -0.08 -0.37 0.00 0.00 177.43 178.57 3gbe h GLU 252 N 0.84 1.25 -0.43 6.67 4.81 -0.68 0.18 114.58 127.23 3gbe h GLU 252 Ca 0.12 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3gbe h GLU 252 Cb 0.70 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3gbe h GLU 252 CO 0.05 0.93 0.08 1.98 -0.73 0.00 0.00 179.01 181.32 3gbe h MET 253 N 1.25 0.65 -0.10 1.92 4.05 -0.76 -0.27 114.93 121.67 3gbe h MET 253 Ca 0.31 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.59 3gbe h MET 253 Cb 0.06 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3gbe h MET 253 CO -0.05 0.61 0.00 -0.97 0.23 0.00 0.00 176.91 176.74 3gbe h ASN 254 N 0.63 0.17 -0.66 1.39 -1.24 -0.20 -0.72 115.58 114.95 3gbe h ASN 254 Ca 0.14 -0.31 -0.03 0.00 0.71 0.00 0.00 56.30 56.81 3gbe h ASN 254 Cb 0.28 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.25 3gbe h ASN 254 CO 0.00 0.44 0.28 0.11 -1.29 0.00 0.00 177.43 176.97 3gbe h LYS 255 N -0.10 0.97 0.00 6.67 1.57 -0.65 0.15 116.57 125.19 3gbe h LYS 255 Ca 0.03 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3gbe h LYS 255 Cb 0.35 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3gbe h LYS 255 CO 0.01 0.80 -0.61 0.93 -0.57 0.00 0.00 179.45 180.01 3gbe h GLU 256 N 0.92 0.00 0.00 3.15 5.08 -1.05 -3.44 114.58 119.24 3gbe h GLU 256 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3gbe h GLU 256 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3gbe h GLU 256 CO -0.02 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.27 3gbe n VAL 257 N -2.54 0.23 -0.25 3.13 0.31 -0.33 -4.93 118.33 113.95 3gbe n VAL 257 Ca 0.02 0.08 0.02 0.00 -0.01 0.00 0.00 64.34 64.44 3gbe n VAL 257 Cb 0.50 -0.63 0.14 0.00 -0.91 0.00 0.00 33.84 32.94 3gbe n VAL 257 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3gbe h LEU 258 N 0.00 0.52 0.00 7.52 3.38 -1.11 -2.00 115.31 123.62 3gbe h LEU 258 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gbe h LEU 258 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3gbe h LEU 258 CO 0.00 0.30 0.00 -1.54 0.09 0.00 0.00 178.44 177.29 3gbe n SER 259 N -4.83 0.00 -0.93 -0.43 3.41 0.51 -2.58 113.62 108.77 3gbe n SER 259 Ca 0.11 -0.18 0.11 0.00 -0.26 0.00 0.00 58.87 58.66 3gbe n SER 259 Cb 0.27 -0.16 0.26 0.00 -0.26 0.00 0.00 64.21 64.32 3gbe n SER 259 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3gbe n HIS 260 N -1.16 0.37 -4.10 7.33 8.25 -0.75 -4.93 115.22 120.22 3gbe n HIS 260 Ca 0.09 -0.18 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 3gbe n HIS 260 Cb 0.09 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.10 3gbe n HIS 260 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3gbe s TYR 261 N -1.63 0.64 -0.91 4.41 1.51 -1.07 -5.07 117.35 115.24 3gbe s TYR 261 Ca 0.36 -0.87 -0.14 0.00 -1.01 0.00 0.00 57.07 55.40 3gbe s TYR 261 Cb 0.21 -0.41 0.21 0.00 -0.11 0.00 0.00 41.96 41.85 3gbe s TYR 261 CO 0.30 -0.23 0.93 0.34 -1.11 0.00 0.00 175.55 175.77 3gbe s ASP 262 N -2.61 6.83 0.25 2.29 2.15 -1.26 -4.97 116.67 119.35 3gbe s ASP 262 Ca 0.04 -2.69 0.03 0.00 0.43 0.00 0.00 52.55 50.36 3gbe s ASP 262 Cb 0.02 -2.26 -0.05 0.00 -0.30 0.00 0.00 42.92 40.33 3gbe s ASP 262 CO -0.06 -0.65 0.03 0.27 -0.17 0.00 0.00 175.17 174.60 3gbe s ILE 263 N 0.59 0.94 -0.14 4.11 -4.36 -1.26 -4.92 121.20 116.16 3gbe s ILE 263 Ca 0.24 -2.02 -0.03 0.00 -0.26 0.00 0.00 60.65 58.58 3gbe s ILE 263 Cb -0.09 -2.49 -0.03 0.00 1.25 0.00 0.00 42.46 41.11 3gbe s ILE 263 CO -0.09 -0.19 -0.04 0.00 0.24 0.00 0.00 174.94 174.86 3gbe s ALA 264 N -3.48 3.02 -0.09 2.27 0.00 -0.60 -4.99 121.76 117.89 3gbe s ALA 264 Ca 0.32 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3gbe s ALA 264 Cb 0.07 -1.51 -0.00 0.00 0.00 0.00 0.00 23.12 21.67 3gbe s ALA 264 CO 0.11 0.28 -0.23 0.95 0.00 0.00 0.00 175.76 176.86 3gbe s THR 265 N 0.15 2.14 0.01 0.00 -4.23 -1.26 -0.97 115.64 111.47 3gbe s THR 265 Ca -0.01 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.53 3gbe s THR 265 Cb -0.14 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 3gbe s THR 265 CO 0.03 0.56 -0.09 0.00 -0.54 0.00 0.00 174.62 174.58 3gbe s ALA 266 N 0.19 2.93 -0.23 3.99 0.00 0.64 -0.42 121.76 128.87 3gbe s ALA 266 Ca -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.77 3gbe s ALA 266 Cb -0.17 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 21.93 3gbe s ALA 266 CO 0.07 0.61 -0.12 0.20 0.00 0.00 0.00 175.76 176.52 3gbe s GLY 267 N -1.42 1.56 -0.70 0.00 0.00 -0.42 -0.44 107.32 105.90 3gbe s GLY 267 Ca 0.17 -1.45 -0.26 0.00 0.00 0.00 0.00 44.72 43.18 3gbe s GLY 267 CO 0.07 0.46 1.20 1.85 0.00 0.00 0.00 173.10 176.68 3gbe s GLU 268 N 1.27 3.21 -0.86 2.90 -6.30 -0.67 -1.85 118.70 116.41 3gbe s GLU 268 Ca -0.00 -0.31 0.01 0.00 -2.50 0.00 0.00 54.97 52.17 3gbe s GLU 268 Cb -0.16 -4.17 0.34 0.00 0.00 0.00 0.00 34.13 30.14 3gbe s GLU 268 CO -0.07 -2.02 1.63 0.44 0.02 0.00 0.00 175.26 175.26 3gbe n ILE 269 N 6.31 4.71 -2.04 -3.70 -5.35 -1.09 -2.38 119.36 115.83 3gbe n ILE 269 Ca 0.02 -5.50 -0.41 0.00 -0.27 0.00 0.00 62.75 56.59 3gbe n ILE 269 Cb 0.48 -1.44 -0.02 0.00 -1.74 0.00 0.00 39.64 36.92 3gbe n ILE 269 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3gbe s PHE 270 N -4.05 3.04 0.00 4.28 2.19 -1.26 -2.35 117.98 119.83 3gbe s PHE 270 Ca 0.44 1.10 0.00 0.00 0.33 0.00 0.00 56.93 58.80 3gbe s PHE 270 Cb 0.27 -3.78 0.00 0.00 -1.31 0.00 0.00 43.02 38.20 3gbe s PHE 270 CO -0.19 -2.48 0.00 0.41 1.83 0.00 0.00 175.22 174.78 3gbe n GLY 271 N 2.00 3.28 3.68 13.12 0.00 -1.26 -4.91 105.19 121.10 3gbe n GLY 271 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3gbe n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gbe s VAL 272 N -2.28 4.15 0.39 1.61 1.01 -0.99 -3.81 120.40 120.48 3gbe s VAL 272 Ca 0.00 1.47 -0.27 0.00 0.00 0.00 0.00 61.98 63.18 3gbe s VAL 272 Cb 0.00 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 3gbe s VAL 272 CO 0.00 -0.03 1.35 -2.65 0.00 0.00 0.00 175.10 173.76 3gbe n PRO 273 N 5.60 2.20 -0.35 2.72 -0.02 -1.26 -4.80 135.00 139.07 3gbe n PRO 273 Ca 0.12 0.77 0.10 0.00 -2.02 0.00 0.00 63.50 62.47 3gbe n PRO 273 Cb 0.45 -2.46 0.27 0.00 -0.02 0.00 0.00 33.50 31.74 3gbe n PRO 273 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3gbe h LEU 274 N 2.43 0.83 -2.08 2.45 5.85 -1.98 -0.27 115.31 122.54 3gbe h LEU 274 Ca -0.48 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.38 3gbe h LEU 274 Cb 1.28 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3gbe h LEU 274 CO 0.62 0.38 0.21 0.44 -0.34 0.00 0.00 178.44 179.74 3gbe h ASP 275 N 0.86 0.00 0.32 1.25 3.45 -1.99 -1.89 116.42 118.42 3gbe h ASP 275 Ca 0.53 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.99 3gbe h ASP 275 Cb 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3gbe h ASP 275 CO -0.32 0.00 -0.84 0.00 -1.57 0.00 0.00 179.24 176.51 3gbe n GLN 276 N -4.23 0.10 -0.08 3.56 6.02 -0.14 -4.42 117.38 118.19 3gbe n GLN 276 Ca 0.03 -0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.07 3gbe n GLN 276 Cb 0.36 -1.53 0.40 0.00 1.02 0.00 0.00 30.24 30.49 3gbe n GLN 276 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3gbe h SER 277 N 0.00 0.55 -0.02 1.08 4.64 -1.05 -2.77 113.55 115.97 3gbe h SER 277 Ca 0.00 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3gbe h SER 277 Cb 0.58 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3gbe h SER 277 CO 0.00 0.38 0.02 -0.29 -0.87 0.00 0.00 176.83 176.06 3gbe h ILE 278 N 0.63 0.78 0.00 0.95 6.09 -1.77 -0.69 117.51 123.50 3gbe h ILE 278 Ca 0.22 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.71 3gbe h ILE 278 Cb 0.11 0.99 -0.00 0.00 0.47 0.00 0.00 36.82 38.38 3gbe h ILE 278 CO -0.06 0.00 -0.02 0.11 -3.07 0.00 0.00 178.15 175.11 3gbe h LYS 279 N 0.00 0.00 0.00 2.19 1.57 -1.81 -0.25 116.57 118.27 3gbe h LYS 279 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3gbe h LYS 279 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3gbe h LYS 279 CO -0.00 0.02 -0.87 0.74 -0.57 0.00 0.00 179.45 178.77 3gbe h PHE 280 N 0.00 0.00 0.00 -1.35 -1.00 -1.31 -3.41 116.94 109.87 3gbe h PHE 280 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3gbe h PHE 280 Cb 0.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.63 3gbe h PHE 280 CO 0.00 0.04 0.00 1.19 -1.61 0.00 0.00 178.31 177.93 3gbe n PHE 281 N -2.76 0.00 -1.67 -0.55 3.01 -0.66 -0.80 117.46 114.04 3gbe n PHE 281 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 3gbe n PHE 281 Cb 0.57 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.00 3gbe n PHE 281 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3gbe n ASP 282 N -0.40 4.08 0.21 4.37 -0.08 -0.19 -4.34 116.55 120.19 3gbe n ASP 282 Ca 0.00 0.92 0.15 0.00 -1.51 0.00 0.00 54.79 54.35 3gbe n ASP 282 Cb 0.02 -1.51 0.79 0.00 2.34 0.00 0.00 41.12 42.76 3gbe n ASP 282 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 3gbe h ARG 283 N 10.18 0.00 0.00 -0.67 0.11 -1.33 -0.15 114.38 122.52 3gbe h ARG 283 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3gbe h ARG 283 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3gbe h ARG 283 CO 0.94 0.00 0.00 0.00 0.10 0.00 0.00 179.97 181.01 3gbe h ARG 284 N 0.00 0.00 -0.01 0.08 3.08 -1.88 -3.12 114.38 112.53 3gbe h ARG 284 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3gbe h ARG 284 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3gbe h ARG 284 CO -0.00 0.00 -0.31 0.54 -1.07 0.00 0.00 179.97 179.13 3gbe n ARG 285 N -2.45 0.58 -3.67 0.04 1.74 -0.07 -4.98 116.66 107.86 3gbe n ARG 285 Ca 0.02 -0.33 -0.25 0.00 -0.77 0.00 0.00 57.85 56.52 3gbe n ARG 285 Cb 0.27 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3gbe n ARG 285 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3gbe n ASP 286 N -0.92 -3.44 0.00 0.55 8.00 -1.18 -4.91 116.55 114.65 3gbe n ASP 286 Ca 0.10 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.69 3gbe n ASP 286 Cb 0.34 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 3gbe n ASP 286 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gbe n GLU 287 N -4.12 0.00 -4.24 -1.24 1.02 -1.26 -4.44 120.64 106.36 3gbe n GLU 287 Ca -0.19 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.68 3gbe n GLU 287 Cb 0.64 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.00 3gbe n GLU 287 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gbe s LEU 288 N 0.00 2.82 -0.26 -4.62 1.43 0.02 -4.82 118.68 113.25 3gbe s LEU 288 Ca 0.00 -1.26 -0.08 0.00 -1.03 0.00 0.00 54.13 51.76 3gbe s LEU 288 Cb 0.00 -1.19 -0.13 0.00 0.03 0.00 0.00 46.19 44.90 3gbe s LEU 288 CO 0.00 -0.74 -0.30 0.59 0.23 0.00 0.00 176.35 176.13 3gbe n ASN 289 N -1.35 1.95 -4.19 2.29 3.02 -0.73 -4.31 115.26 111.93 3gbe n ASN 289 Ca -0.05 0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.33 3gbe n ASN 289 Cb 0.65 -0.65 -0.16 0.00 -0.61 0.00 0.00 39.78 39.02 3gbe n ASN 289 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gbe s ILE 290 N -2.49 2.29 -0.12 2.41 1.01 0.44 -4.14 121.20 120.59 3gbe s ILE 290 Ca -0.36 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.14 3gbe s ILE 290 Cb 0.12 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 3gbe s ILE 290 CO 0.51 0.53 0.87 0.00 0.00 0.00 0.00 174.94 176.85 3gbe s ALA 291 N 1.02 3.43 -0.74 9.38 0.00 -0.28 -1.30 121.76 133.27 3gbe s ALA 291 Ca -0.02 0.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.02 3gbe s ALA 291 Cb -0.15 -3.26 0.19 0.00 0.00 0.00 0.00 23.12 19.91 3gbe s ALA 291 CO -0.05 -0.52 0.64 -0.06 0.00 0.00 0.00 175.76 175.77 3gbe s PHE 292 N 1.81 3.62 0.34 0.00 2.99 -0.77 -1.11 117.98 124.87 3gbe s PHE 292 Ca 0.42 -2.18 -0.03 0.00 0.00 0.00 0.00 56.93 55.14 3gbe s PHE 292 Cb -0.18 -3.61 -0.04 0.00 0.00 0.00 0.00 43.02 39.19 3gbe s PHE 292 CO 0.16 -0.94 0.60 0.95 -0.00 0.00 0.00 175.22 175.98 3gbe s THR 293 N 0.20 5.03 0.00 0.64 -4.23 -1.26 -2.66 115.64 113.36 3gbe s THR 293 Ca 0.16 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 3gbe s THR 293 Cb -0.15 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.89 3gbe s THR 293 CO -0.06 -0.50 0.96 0.49 -0.54 0.00 0.00 174.62 174.97 3gbe n PHE 294 N -1.48 0.00 -0.26 3.99 3.01 -1.26 -4.73 117.46 116.74 3gbe n PHE 294 Ca -0.02 -0.46 -0.01 0.00 1.01 0.00 0.00 57.45 57.97 3gbe n PHE 294 Cb 0.55 -0.05 0.11 0.00 -0.01 0.00 0.00 39.48 40.09 3gbe n PHE 294 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3gbe h ASP 295 N 0.00 0.66 0.06 4.37 5.19 -1.95 -1.60 116.42 123.15 3gbe h ASP 295 Ca 0.00 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3gbe h ASP 295 Cb 0.47 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.87 3gbe h ASP 295 CO 0.00 0.43 -0.03 0.25 -3.12 0.00 0.00 179.24 176.77 3gbe h LEU 296 N 0.80 -0.07 -1.99 1.55 5.85 -1.92 -2.84 115.31 116.69 3gbe h LEU 296 Ca 0.33 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3gbe h LEU 296 Cb 0.18 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3gbe h LEU 296 CO -0.18 0.49 -0.07 -0.29 -0.34 0.00 0.00 178.44 178.06 3gbe h ILE 297 N -0.66 0.28 -0.38 4.05 2.10 -1.84 -1.75 117.51 119.30 3gbe h ILE 297 Ca -0.01 -0.44 -0.07 0.00 1.08 0.00 0.00 64.86 65.42 3gbe h ILE 297 Cb 0.56 1.34 -0.04 0.00 -1.09 0.00 0.00 36.82 37.59 3gbe h ILE 297 CO 0.01 0.06 0.03 0.54 -1.08 0.00 0.00 178.15 177.72 3gbe n ARG 298 N -3.34 2.95 0.26 2.19 5.12 -0.61 -4.69 116.66 118.53 3gbe n ARG 298 Ca -0.01 -2.97 0.08 0.00 -1.93 0.00 0.00 57.85 53.02 3gbe n ARG 298 Cb 0.23 -1.93 0.64 0.00 -1.16 0.00 0.00 32.46 30.24 3gbe n ARG 298 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 3gbe h LEU 299 N 1.90 0.00 -3.60 0.55 -0.00 -1.05 -2.27 115.31 110.83 3gbe h LEU 299 Ca 0.09 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.70 3gbe h LEU 299 Cb 1.67 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 42.17 3gbe h LEU 299 CO 0.36 0.01 0.21 -0.90 -0.00 0.00 0.00 178.44 178.12 3gbe n ASP 300 N -4.52 3.42 -4.54 0.17 5.75 -1.26 -4.96 116.55 110.61 3gbe n ASP 300 Ca -0.03 -3.55 -0.31 0.00 -0.01 0.00 0.00 54.79 50.89 3gbe n ASP 300 Cb 0.10 -0.71 -0.11 0.00 -1.03 0.00 0.00 41.12 39.37 3gbe n ASP 300 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3gbe s ARG 301 N -3.18 2.30 0.07 0.11 6.06 -0.86 -0.49 118.95 122.96 3gbe s ARG 301 Ca 0.50 -0.87 -0.30 0.00 -2.50 0.00 0.00 55.73 52.56 3gbe s ARG 301 Cb 0.43 -2.35 -0.05 0.00 0.06 0.00 0.00 34.95 33.04 3gbe s ARG 301 CO 0.06 0.56 1.10 0.34 -2.50 0.00 0.00 175.30 174.87 3gbe s ASP 302 N -1.55 7.23 0.46 -2.12 -1.08 -0.61 -4.92 116.67 114.08 3gbe s ASP 302 Ca 0.17 1.91 0.27 0.00 -0.52 0.00 0.00 52.55 54.37 3gbe s ASP 302 Cb -0.11 -2.58 0.72 0.00 -1.46 0.00 0.00 42.92 39.49 3gbe s ASP 302 CO 0.08 -0.33 1.74 0.77 0.52 0.00 0.00 175.17 177.95 3gbe h SER 303 N 6.41 0.00 0.00 -0.34 4.64 -1.91 -3.10 113.55 119.24 3gbe h SER 303 Ca -0.42 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.74 3gbe h SER 303 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 3gbe h SER 303 CO 0.77 0.00 -1.20 -0.67 -0.87 0.00 0.00 176.83 174.87 3gbe n ASP 304 N -3.03 1.87 -4.35 4.97 2.03 -1.23 -4.53 116.55 112.28 3gbe n ASP 304 Ca 0.03 0.46 -0.45 0.00 0.52 0.00 0.00 54.79 55.35 3gbe n ASP 304 Cb 0.44 -0.87 -0.00 0.00 -0.72 0.00 0.00 41.12 39.97 3gbe n ASP 304 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3gbe s GLN 305 N -2.44 4.07 0.20 -0.67 -0.21 -1.26 -4.90 119.66 114.45 3gbe s GLN 305 Ca -0.26 -3.00 0.13 0.00 0.02 0.00 0.00 55.36 52.24 3gbe s GLN 305 Cb 0.06 -4.57 0.68 0.00 1.00 0.00 0.00 33.01 30.18 3gbe s GLN 305 CO 0.42 -1.29 1.36 0.54 -2.12 0.00 0.00 175.29 174.19 3gbe n ARG 306 N 3.21 0.08 0.10 2.91 1.74 -1.17 -1.64 116.66 121.89 3gbe n ARG 306 Ca 0.23 0.56 0.12 0.00 -0.77 0.00 0.00 57.85 57.99 3gbe n ARG 306 Cb 0.41 -1.82 0.16 0.00 -1.02 0.00 0.00 32.46 30.19 3gbe n ARG 306 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 3gbe h TRP 307 N 0.00 0.00 -3.39 -1.55 5.08 -1.91 -3.42 115.95 110.76 3gbe h TRP 307 Ca 0.00 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 59.42 3gbe h TRP 307 Cb 0.11 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.23 3gbe h TRP 307 CO 0.00 0.00 0.09 0.50 -1.28 0.00 0.00 178.44 177.75 3gbe s ARG 308 N -3.21 4.42 0.30 0.12 3.52 -0.65 -4.32 118.95 119.13 3gbe s ARG 308 Ca 0.05 0.96 0.08 0.00 -0.13 0.00 0.00 55.73 56.68 3gbe s ARG 308 Cb 0.11 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 3gbe s ARG 308 CO 0.72 0.43 0.20 -0.98 -0.81 0.00 0.00 175.30 174.85 3gbe s ARG 309 N -0.50 2.68 0.17 5.12 1.04 -1.26 -1.57 118.95 124.63 3gbe s ARG 309 Ca 0.35 -1.27 -0.00 0.00 -1.04 0.00 0.00 55.73 53.76 3gbe s ARG 309 Cb -0.20 -2.42 -0.04 0.00 -2.04 0.00 0.00 34.95 30.24 3gbe s ARG 309 CO 0.22 0.23 0.08 -1.59 -0.04 0.00 0.00 175.30 174.20 3gbe s LYS 310 N -3.88 1.09 0.59 3.89 -2.85 0.35 -4.89 119.74 114.03 3gbe s LYS 310 Ca 0.37 -1.55 -0.17 0.00 -1.00 0.00 0.00 55.97 53.62 3gbe s LYS 310 Cb -0.06 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.82 3gbe s LYS 310 CO 0.25 -0.29 1.09 -0.51 0.10 0.00 0.00 175.35 175.98 3gbe s ASP 311 N -3.13 5.62 0.11 0.03 1.01 -1.26 -4.76 116.67 114.29 3gbe s ASP 311 Ca 0.30 1.99 -0.01 0.00 0.71 0.00 0.00 52.55 55.55 3gbe s ASP 311 Cb 0.07 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3gbe s ASP 311 CO 0.07 -1.28 0.03 -1.66 0.21 0.00 0.00 175.17 172.53 3gbe s TRP 312 N -2.17 0.77 0.19 4.23 1.48 -1.26 -4.92 118.94 117.26 3gbe s TRP 312 Ca 0.68 -1.18 0.08 0.00 -1.06 0.00 0.00 56.10 54.62 3gbe s TRP 312 Cb -0.20 -0.46 -0.04 0.00 -1.16 0.00 0.00 33.47 31.61 3gbe s TRP 312 CO 0.33 -0.47 -0.16 0.15 -4.06 0.00 0.00 176.95 172.74 3gbe s LYS 313 N -4.01 1.33 0.40 3.25 1.02 -1.26 -5.04 119.74 115.44 3gbe s LYS 313 Ca 0.19 -1.53 0.07 0.00 0.02 0.00 0.00 55.97 54.73 3gbe s LYS 313 Cb 0.08 -1.24 0.85 0.00 -0.52 0.00 0.00 37.83 36.99 3gbe s LYS 313 CO -0.02 0.23 2.04 1.25 -0.92 0.00 0.00 175.35 177.93 3gbe h LEU 314 N 2.82 0.50 -1.08 3.17 5.85 -1.87 -1.38 115.31 123.31 3gbe h LEU 314 Ca -0.40 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3gbe h LEU 314 Cb 1.22 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3gbe h LEU 314 CO 0.57 0.35 0.50 0.77 -0.34 0.00 0.00 178.44 180.29 3gbe h SER 315 N 0.58 0.99 -0.28 1.25 4.64 -1.81 0.09 113.55 119.02 3gbe h SER 315 Ca 0.19 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 3gbe h SER 315 Cb 0.04 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 3gbe h SER 315 CO -0.05 0.77 0.02 1.56 -0.87 0.00 0.00 176.83 178.26 3gbe h GLN 316 N 1.14 0.48 -0.04 4.77 7.50 -1.56 -1.03 115.11 126.38 3gbe h GLN 316 Ca 0.30 -0.15 0.03 0.00 0.50 0.00 0.00 58.65 59.33 3gbe h GLN 316 Cb -0.04 -0.05 -0.04 0.00 0.05 0.00 0.00 27.48 27.40 3gbe h GLN 316 CO -0.06 0.62 -0.16 0.35 -1.50 0.00 0.00 178.83 178.09 3gbe h PHE 317 N 0.28 -0.42 -0.06 2.96 3.57 -0.92 -1.13 116.94 121.22 3gbe h PHE 317 Ca 0.08 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 3gbe h PHE 317 Cb 0.40 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3gbe h PHE 317 CO 0.03 -0.24 -0.62 0.07 -2.23 0.00 0.00 178.31 175.33 3gbe h ARG 318 N -0.25 0.20 -0.39 1.11 0.11 -0.99 -2.41 114.38 111.77 3gbe h ARG 318 Ca 0.07 -0.14 -0.08 0.00 0.10 0.00 0.00 59.98 59.93 3gbe h ARG 318 Cb 0.34 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.42 3gbe h ARG 318 CO -0.19 0.76 -0.08 1.96 0.10 0.00 0.00 179.97 182.52 3gbe h GLN 319 N 0.15 0.66 -0.38 0.08 4.20 -0.89 -0.40 115.11 118.53 3gbe h GLN 319 Ca -0.01 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 3gbe h GLN 319 Cb 1.12 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 3gbe h GLN 319 CO 0.09 0.74 0.01 0.82 -0.67 0.00 0.00 178.83 179.82 3gbe h ILE 320 N 0.61 1.26 -0.68 2.54 2.04 -0.98 -1.32 117.51 120.98 3gbe h ILE 320 Ca 0.11 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.03 3gbe h ILE 320 Cb 0.50 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 3gbe h ILE 320 CO 0.03 0.33 0.43 0.40 0.00 0.00 0.00 178.15 179.33 3gbe h ILE 321 N 0.49 1.09 -0.60 -0.67 2.04 -0.94 0.14 117.51 119.06 3gbe h ILE 321 Ca 0.11 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3gbe h ILE 321 Cb 0.45 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3gbe h ILE 321 CO 0.02 0.15 0.29 -0.78 0.00 0.00 0.00 178.15 177.83 3gbe h ASP 322 N 0.84 0.79 -0.55 1.72 3.58 -0.86 0.63 116.42 122.57 3gbe h ASP 322 Ca 0.27 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 3gbe h ASP 322 Cb 0.02 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 3gbe h ASP 322 CO -0.11 0.70 0.21 0.78 -2.88 0.00 0.00 179.24 177.94 3gbe h ASN 323 N 0.82 0.76 -0.78 2.28 -0.26 -0.59 -0.24 115.58 117.58 3gbe h ASN 323 Ca 0.21 -0.18 -0.05 0.00 -0.56 0.00 0.00 56.30 55.72 3gbe h ASN 323 Cb 0.12 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 3gbe h ASN 323 CO -0.03 0.74 0.29 0.58 -1.06 0.00 0.00 177.43 177.95 3gbe h VAL 324 N 0.75 1.26 -0.22 2.81 2.07 -0.45 0.09 116.25 122.56 3gbe h VAL 324 Ca 0.18 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3gbe h VAL 324 Cb 0.22 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3gbe h VAL 324 CO -0.01 0.34 0.03 -0.78 0.02 0.00 0.00 177.57 177.17 3gbe h ASP 325 N 1.13 0.35 -0.20 0.57 3.58 -0.53 -2.60 116.42 118.73 3gbe h ASP 325 Ca 0.26 -0.26 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 3gbe h ASP 325 Cb 0.24 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 3gbe h ASP 325 CO -0.02 0.53 -0.07 0.03 -2.88 0.00 0.00 179.24 176.83 3gbe h ARG 326 N 0.16 0.55 -0.42 0.28 2.47 -0.90 -2.15 114.38 114.38 3gbe h ARG 326 Ca 0.07 -0.15 -0.10 0.00 -1.26 0.00 0.00 59.98 58.54 3gbe h ARG 326 Cb 0.33 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 3gbe h ARG 326 CO 0.00 0.63 -0.13 1.15 0.56 0.00 0.00 179.97 182.18 3gbe h THR 327 N 0.52 1.26 -0.56 2.04 2.02 -0.84 -2.37 112.91 114.98 3gbe h THR 327 Ca 0.10 -1.19 -0.11 0.00 0.77 0.00 0.00 66.41 65.97 3gbe h THR 327 Cb 0.44 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3gbe h THR 327 CO 0.02 0.41 -0.09 0.00 0.37 0.00 0.00 175.52 176.23 3gbe h ALA 328 N 1.17 0.78 -0.71 6.16 0.00 -1.20 -3.45 119.26 122.00 3gbe h ALA 328 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gbe h ALA 328 Cb 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gbe h ALA 328 CO 0.04 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.37 3gbe n GLY 329 N -0.29 2.17 0.08 0.00 0.00 -0.83 -0.59 105.19 105.73 3gbe n GLY 329 Ca 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 3gbe n GLY 329 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3gbe h GLU 330 N 0.00 0.00 0.00 1.61 9.09 -1.91 -3.39 114.58 119.99 3gbe h GLU 330 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3gbe h GLU 330 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3gbe h GLU 330 CO 0.00 0.90 -1.44 0.66 0.05 0.00 0.00 179.01 179.18 3gbe n TYR 331 N -3.47 0.00 -2.93 2.06 4.02 -1.20 -4.78 117.16 110.86 3gbe n TYR 331 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 3gbe n TYR 331 Cb 0.86 -0.25 0.05 0.00 -0.02 0.00 0.00 39.34 39.97 3gbe n TYR 331 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gbe n GLY 332 N 1.46 1.75 3.40 2.72 0.00 0.25 -0.91 105.19 113.85 3gbe n GLY 332 Ca -0.01 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.73 3gbe n GLY 332 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3gbe s TRP 333 N -1.28 -0.59 0.18 1.61 -0.11 -1.26 -4.75 118.94 112.74 3gbe s TRP 333 Ca 0.38 1.38 0.06 0.00 1.22 0.00 0.00 56.10 59.14 3gbe s TRP 333 Cb -0.03 0.22 -0.04 0.00 -1.50 0.00 0.00 33.47 32.12 3gbe s TRP 333 CO 0.24 -0.29 0.10 -0.80 -4.62 0.00 0.00 176.95 171.58 3gbe s ASN 334 N 0.47 5.27 0.26 5.86 0.02 -1.26 -1.12 114.94 124.45 3gbe s ASN 334 Ca -0.02 -0.23 0.06 0.00 -1.02 0.00 0.00 52.86 51.65 3gbe s ASN 334 Cb -0.04 -1.30 -0.03 0.00 0.02 0.00 0.00 41.25 39.90 3gbe s ASN 334 CO -0.02 0.06 0.32 0.00 0.02 0.00 0.00 177.10 177.48 3gbe s ALA 335 N -1.80 3.86 -0.03 0.60 0.00 -0.26 -0.62 121.76 123.51 3gbe s ALA 335 Ca 0.30 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3gbe s ALA 335 Cb -0.09 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.51 3gbe s ALA 335 CO 0.22 0.19 0.00 0.12 0.00 0.00 0.00 175.76 176.29 3gbe s PHE 336 N -2.08 0.25 0.00 0.00 5.36 -0.12 -4.75 117.98 116.64 3gbe s PHE 336 Ca 0.36 0.02 -0.25 0.00 -0.96 0.00 0.00 56.93 56.10 3gbe s PHE 336 Cb -0.08 -0.36 0.06 0.00 -0.34 0.00 0.00 43.02 42.29 3gbe s PHE 336 CO 0.28 -0.11 0.56 -0.59 -1.46 0.00 0.00 175.22 173.89 3gbe s PHE 337 N 0.96 -0.49 -0.66 10.12 -0.12 -1.26 -1.44 117.98 125.10 3gbe s PHE 337 Ca -0.09 0.71 0.11 0.00 -0.05 0.00 0.00 56.93 57.60 3gbe s PHE 337 Cb -0.13 0.34 -0.08 0.00 -0.63 0.00 0.00 43.02 42.52 3gbe s PHE 337 CO -0.02 -0.60 0.52 1.28 -0.05 0.00 0.00 175.22 176.35 3gbe n LEU 338 N 0.73 0.74 -3.84 -1.99 4.77 -1.26 -4.80 117.00 111.35 3gbe n LEU 338 Ca -0.19 -0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 55.13 3gbe n LEU 338 Cb 0.58 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3gbe n LEU 338 CO 0.21 0.16 0.49 1.51 -1.33 0.00 0.00 177.39 178.44 3gbe s ASP 339 N -1.84 -0.11 0.00 -1.43 1.47 -1.26 -4.37 116.67 109.13 3gbe s ASP 339 Ca 0.06 -0.89 0.00 0.00 1.18 0.00 0.00 52.55 52.90 3gbe s ASP 339 Cb 0.08 0.78 0.00 0.00 -0.34 0.00 0.00 42.92 43.45 3gbe s ASP 339 CO 0.39 -1.51 0.00 -0.46 0.68 0.00 0.00 175.17 174.27 3gbe n ASN 340 N -0.93 0.00 0.00 2.11 0.23 -1.26 -4.68 115.26 110.73 3gbe n ASN 340 Ca -0.06 -0.76 0.11 0.00 -0.53 0.00 0.00 54.58 53.35 3gbe n ASN 340 Cb 0.60 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.93 3gbe n ASN 340 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gbe n HIS 341 N 0.00 0.00 -0.08 -2.53 1.44 -1.26 -2.80 115.22 109.99 3gbe n HIS 341 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 3gbe n HIS 341 Cb 0.00 -0.16 0.11 0.00 0.12 0.00 0.00 29.99 30.06 3gbe n HIS 341 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3gbe n ASP 342 N -1.16 2.61 -3.99 4.39 8.00 -1.26 -4.74 116.55 120.40 3gbe n ASP 342 Ca 0.14 -1.93 -0.09 0.00 0.71 0.00 0.00 54.79 53.62 3gbe n ASP 342 Cb 0.14 -0.16 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 3gbe n ASP 342 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3gbe s ASN 343 N -0.97 0.25 0.87 -2.24 0.01 -1.12 -4.43 114.94 107.31 3gbe s ASN 343 Ca 0.17 -0.89 -0.11 0.00 -0.71 0.00 0.00 52.86 51.33 3gbe s ASN 343 Cb 0.09 0.31 0.12 0.00 0.41 0.00 0.00 41.25 42.18 3gbe s ASN 343 CO 0.12 -0.72 1.10 -2.16 -1.51 0.00 0.00 177.10 173.93 3gbe s PRO 344 N -3.93 1.40 0.37 -0.60 0.04 -1.26 -4.19 135.00 126.83 3gbe s PRO 344 Ca 0.11 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 3gbe s PRO 344 Cb 0.06 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.70 3gbe s PRO 344 CO -0.07 -2.25 1.44 1.03 0.04 0.00 0.00 177.00 177.19 3gbe s ARG 345 N -4.79 4.14 0.20 4.56 1.81 -1.26 -4.59 118.95 119.01 3gbe s ARG 345 Ca 0.64 2.47 -0.12 0.00 -1.72 0.00 0.00 55.73 57.01 3gbe s ARG 345 Cb -0.20 -2.97 0.24 0.00 -0.45 0.00 0.00 34.95 31.57 3gbe s ARG 345 CO 0.57 -0.47 1.71 0.00 -0.68 0.00 0.00 175.30 176.43 3gbe h ALA 346 N 3.04 0.62 -0.31 2.13 0.00 -1.85 -0.29 119.26 122.60 3gbe h ALA 346 Ca -0.50 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3gbe h ALA 346 Cb 1.24 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3gbe h ALA 346 CO 0.64 -0.31 -0.03 -0.24 0.00 0.00 0.00 179.25 179.31 3gbe h VAL 347 N 0.24 1.20 -0.15 0.00 3.04 -1.91 0.72 116.25 119.38 3gbe h VAL 347 Ca 0.28 -0.81 -0.17 0.00 -1.01 0.00 0.00 66.70 64.99 3gbe h VAL 347 Cb 0.40 1.00 0.01 0.00 -2.01 0.00 0.00 31.29 30.69 3gbe h VAL 347 CO -0.37 0.27 -0.58 0.28 -1.01 0.00 0.00 177.57 176.16 3gbe h SER 348 N 0.47 0.76 0.14 3.17 0.02 -1.69 -1.14 113.55 115.29 3gbe h SER 348 Ca 0.10 -0.62 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 3gbe h SER 348 Cb 0.35 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3gbe h SER 348 CO 0.01 1.25 -0.07 -0.74 -1.14 0.00 0.00 176.83 176.15 3gbe h HIS 349 N 0.32 -0.17 0.00 3.45 6.17 -0.82 -3.39 115.15 120.71 3gbe h HIS 349 Ca -0.03 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.04 3gbe h HIS 349 Cb 1.21 0.06 0.00 0.00 2.52 0.00 0.00 27.41 31.20 3gbe h HIS 349 CO 0.10 0.29 -0.94 1.19 0.71 0.00 0.00 177.93 179.28 3gbe n PHE 350 N -4.91 0.00 -0.97 5.26 3.01 0.22 -5.00 117.46 115.08 3gbe n PHE 350 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 3gbe n PHE 350 Cb 0.27 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 3gbe n PHE 350 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gbe n GLY 351 N 1.43 3.58 2.72 1.37 0.00 -0.46 -5.02 105.19 108.82 3gbe n GLY 351 Ca 0.01 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 3gbe n GLY 351 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gbe s ASP 352 N 0.05 2.97 0.00 1.61 3.68 -1.02 -4.74 116.67 119.22 3gbe s ASP 352 Ca 0.00 -0.87 0.08 0.00 2.13 0.00 0.00 52.55 53.89 3gbe s ASP 352 Cb 0.00 -0.59 0.31 0.00 -1.45 0.00 0.00 42.92 41.19 3gbe s ASP 352 CO 0.00 -0.32 1.23 -0.90 0.13 0.00 0.00 175.17 175.31 3gbe n ASP 353 N 5.05 0.91 -4.77 -0.34 5.68 -1.25 -2.09 116.55 119.75 3gbe n ASP 353 Ca -0.08 -1.91 -0.35 0.00 -0.50 0.00 0.00 54.79 51.95 3gbe n ASP 353 Cb 0.47 -0.10 0.02 0.00 -1.14 0.00 0.00 41.12 40.36 3gbe n ASP 353 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3gbe s ARG 354 N -1.79 3.19 0.37 0.11 0.52 -1.26 -4.60 118.95 115.48 3gbe s ARG 354 Ca 0.15 1.64 0.17 0.00 -0.52 0.00 0.00 55.73 57.18 3gbe s ARG 354 Cb 0.08 -1.98 1.10 0.00 0.52 0.00 0.00 34.95 34.67 3gbe s ARG 354 CO 0.11 -0.99 1.72 -1.35 0.02 0.00 0.00 175.30 174.81 3gbe h PRO 355 N 0.98 0.37 0.00 3.54 0.11 -2.01 0.58 132.00 135.56 3gbe h PRO 355 Ca -0.50 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3gbe h PRO 355 Cb 1.27 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gbe h PRO 355 CO 0.56 0.24 -0.10 0.37 -0.21 0.00 0.00 178.00 178.86 3gbe h GLN 356 N 0.38 0.00 0.00 1.05 4.15 -1.93 -3.35 115.11 115.41 3gbe h GLN 356 Ca 0.67 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.09 3gbe h GLN 356 Cb 1.64 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.33 3gbe h GLN 356 CO -0.42 0.10 0.00 0.91 -1.93 0.00 0.00 178.83 177.49 3gbe n TRP 357 N -3.18 0.00 0.10 3.99 7.02 -0.26 -4.77 117.44 120.35 3gbe n TRP 357 Ca 0.01 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.37 3gbe n TRP 357 Cb 0.43 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.26 3gbe n TRP 357 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 3gbe h ARG 358 N 0.00 -0.34 -0.27 -0.99 2.43 -0.39 -0.56 114.38 114.25 3gbe h ARG 358 Ca 0.00 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3gbe h ARG 358 Cb 0.00 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3gbe h ARG 358 CO 0.00 -0.23 -0.05 0.93 -1.51 0.00 0.00 179.97 179.11 3gbe h GLU 359 N -0.36 0.51 -0.44 0.20 5.08 -1.86 -0.14 114.58 117.58 3gbe h GLU 359 Ca 0.02 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 3gbe h GLU 359 Cb 0.37 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3gbe h GLU 359 CO -0.10 0.72 -0.15 -1.00 -1.00 0.00 0.00 179.01 177.48 3gbe h PRO 360 N 0.27 0.83 -0.17 2.33 0.13 -1.84 -1.64 132.00 131.90 3gbe h PRO 360 Ca 0.07 -0.30 -0.15 0.00 -0.87 0.00 0.00 66.00 64.75 3gbe h PRO 360 Cb 0.52 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 3gbe h PRO 360 CO 0.02 0.92 -0.50 0.66 -0.23 0.00 0.00 178.00 178.87 3gbe h SER 361 N 0.74 0.52 -0.82 1.44 4.64 -1.07 -1.57 113.55 117.43 3gbe h SER 361 Ca 0.11 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 3gbe h SER 361 Cb 0.66 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 3gbe h SER 361 CO 0.05 0.94 0.41 0.00 -0.87 0.00 0.00 176.83 177.36 3gbe h ALA 362 N 1.08 1.05 -0.45 5.18 0.00 -0.82 -1.00 119.26 124.29 3gbe h ALA 362 Ca 0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3gbe h ALA 362 Cb 1.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3gbe h ALA 362 CO 0.09 0.59 -0.12 0.87 0.00 0.00 0.00 179.25 180.69 3gbe h LYS 363 N 1.15 0.82 -0.66 0.00 1.57 -1.02 -1.59 116.57 116.84 3gbe h LYS 363 Ca 0.28 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3gbe h LYS 363 Cb 0.09 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3gbe h LYS 363 CO -0.04 0.90 0.31 0.00 -0.57 0.00 0.00 179.45 180.05 3gbe h ALA 364 N 1.13 0.85 -0.06 3.86 0.00 -0.71 -0.99 119.26 123.33 3gbe h ALA 364 Ca 0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3gbe h ALA 364 Cb 0.62 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3gbe h ALA 364 CO 0.04 0.42 -0.43 -0.07 0.00 0.00 0.00 179.25 179.20 3gbe h LEU 365 N 0.91 0.14 -0.52 0.00 3.38 -1.01 -2.35 115.31 115.86 3gbe h LEU 365 Ca 0.23 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3gbe h LEU 365 Cb 0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3gbe h LEU 365 CO -0.03 0.56 0.05 0.00 0.09 0.00 0.00 178.44 179.11 3gbe h ALA 366 N 1.45 0.70 -0.27 1.53 0.00 -0.77 -1.11 119.26 120.79 3gbe h ALA 366 Ca 0.01 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3gbe h ALA 366 Cb 0.82 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3gbe h ALA 366 CO 0.06 0.47 0.13 1.15 0.00 0.00 0.00 179.25 181.07 3gbe h THR 367 N 0.77 0.99 -0.03 0.00 2.02 -0.82 -1.26 112.91 114.58 3gbe h THR 367 Ca 0.15 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3gbe h THR 367 Cb 0.45 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3gbe h THR 367 CO 0.02 0.05 0.01 -0.07 0.37 0.00 0.00 175.52 175.90 3gbe h LEU 368 N 0.28 0.02 -0.40 2.58 3.38 -1.30 -2.99 115.31 116.88 3gbe h LEU 368 Ca 0.11 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3gbe h LEU 368 Cb 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3gbe h LEU 368 CO -0.08 0.01 0.21 0.74 0.09 0.00 0.00 178.44 179.42 3gbe h THR 369 N 0.03 1.01 -0.00 0.22 2.02 -0.88 -2.24 112.91 113.06 3gbe h THR 369 Ca 0.01 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3gbe h THR 369 Cb 0.00 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3gbe h THR 369 CO -0.01 0.08 0.00 0.18 0.37 0.00 0.00 175.52 176.14 3gbe n LEU 370 N -4.90 0.02 -0.70 2.58 4.77 -0.50 -3.61 117.00 114.66 3gbe n LEU 370 Ca 0.01 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.05 3gbe n LEU 370 Cb 0.08 -0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.32 3gbe n LEU 370 CO 0.31 0.00 0.33 0.35 -1.33 0.00 0.00 177.39 177.05 3gbe n THR 371 N -0.86 1.59 -3.59 -5.08 -2.24 -0.85 -4.80 114.28 98.46 3gbe n THR 371 Ca 0.18 -2.47 -0.25 0.00 -2.27 0.00 0.00 64.05 59.24 3gbe n THR 371 Cb 0.08 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 3gbe n THR 371 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3gbe s GLN 372 N -2.35 3.51 -1.32 -0.78 -1.52 -1.21 -4.98 119.66 111.00 3gbe s GLN 372 Ca 0.34 -0.37 -0.13 0.00 -1.95 0.00 0.00 55.36 53.26 3gbe s GLN 372 Cb 0.34 -2.76 0.12 0.00 -0.22 0.00 0.00 33.01 30.49 3gbe s GLN 372 CO -0.07 0.30 1.86 -2.13 -0.25 0.00 0.00 175.29 174.99 3gbe n ARG 373 N -1.20 3.30 -3.65 2.91 0.63 -1.26 -4.70 116.66 112.69 3gbe n ARG 373 Ca -0.05 -3.31 -0.01 0.00 -0.92 0.00 0.00 57.85 53.55 3gbe n ARG 373 Cb 0.55 -3.14 -0.01 0.00 0.45 0.00 0.00 32.46 30.31 3gbe n ARG 373 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gbe s ALA 374 N 1.98 -2.01 -0.26 5.13 0.00 -1.26 -4.64 121.76 120.70 3gbe s ALA 374 Ca 0.45 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.79 3gbe s ALA 374 Cb 0.07 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.59 3gbe s ALA 374 CO -0.01 -0.97 0.89 0.99 0.00 0.00 0.00 175.76 176.65 3gbe s THR 375 N -2.73 4.77 0.26 0.00 2.01 0.21 -4.80 115.64 115.35 3gbe s THR 375 Ca 0.12 1.61 -0.27 0.00 0.31 0.00 0.00 61.69 63.47 3gbe s THR 375 Cb 0.02 -4.19 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 3gbe s THR 375 CO -0.02 -0.16 0.90 -2.16 -0.69 0.00 0.00 174.62 172.48 3gbe s PRO 376 N 3.01 4.66 -0.20 4.92 0.04 -1.26 -0.94 135.00 145.22 3gbe s PRO 376 Ca 0.37 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.75 3gbe s PRO 376 Cb -0.15 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.36 3gbe s PRO 376 CO 0.09 0.43 -0.17 -0.06 0.04 0.00 0.00 177.00 177.33 3gbe s PHE 377 N -1.37 2.90 -0.24 0.56 0.40 -0.52 -1.21 117.98 118.50 3gbe s PHE 377 Ca 0.44 -1.75 -0.11 0.00 -0.60 0.00 0.00 56.93 54.91 3gbe s PHE 377 Cb -0.22 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.32 3gbe s PHE 377 CO 0.27 -0.81 0.20 0.42 0.70 0.00 0.00 175.22 176.00 3gbe s ILE 378 N 1.26 5.33 0.05 0.64 1.01 0.20 -4.61 121.20 125.08 3gbe s ILE 378 Ca 0.02 0.25 -0.23 0.00 0.00 0.00 0.00 60.65 60.69 3gbe s ILE 378 Cb -0.15 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 38.73 3gbe s ILE 378 CO -0.10 0.32 0.71 -0.47 0.00 0.00 0.00 174.94 175.39 3gbe s TYR 379 N 1.19 3.75 -0.31 3.97 5.04 -1.26 -0.50 117.35 129.22 3gbe s TYR 379 Ca 0.09 1.40 -0.43 0.00 -2.44 0.00 0.00 57.07 55.69 3gbe s TYR 379 Cb -0.14 -2.73 -0.19 0.00 0.35 0.00 0.00 41.96 39.25 3gbe s TYR 379 CO 0.06 0.35 1.52 0.00 -1.34 0.00 0.00 175.55 176.13 3gbe n GLN 380 N 2.55 0.37 0.00 4.97 10.64 -0.48 -0.75 117.38 134.68 3gbe n GLN 380 Ca -0.05 0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 3gbe n GLN 380 Cb 0.50 -1.69 0.00 0.00 -0.86 0.00 0.00 30.24 28.19 3gbe n GLN 380 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3gbe n GLY 381 N 3.47 3.22 0.12 2.61 0.00 -1.26 -4.87 105.19 108.48 3gbe n GLY 381 Ca 0.27 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.42 3gbe n GLY 381 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3gbe h SER 382 N 0.00 0.00 0.47 1.61 0.02 -1.27 -1.77 113.55 112.61 3gbe h SER 382 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gbe h SER 382 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3gbe h SER 382 CO 0.00 0.00 0.00 -1.84 -1.14 0.00 0.00 176.83 173.85 3gbe n GLU 383 N -2.31 0.15 0.00 3.45 0.00 -1.26 -1.96 120.64 118.70 3gbe n GLU 383 Ca 0.04 0.15 0.07 0.00 0.00 0.00 0.00 57.16 57.42 3gbe n GLU 383 Cb 0.38 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.26 3gbe n GLU 383 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3gbe n LEU 384 N -1.38 0.97 0.00 -1.84 4.77 -0.71 -1.71 117.00 117.11 3gbe n LEU 384 Ca 0.07 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 3gbe n LEU 384 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3gbe n LEU 384 CO 0.15 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3gbe n GLY 385 N 1.29 0.56 3.74 -0.72 0.00 -0.83 -4.84 105.19 104.38 3gbe n GLY 385 Ca 0.04 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 3gbe n GLY 385 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gbe s MET 386 N -2.92 2.67 0.49 1.61 -1.94 -0.96 -4.96 119.30 113.28 3gbe s MET 386 Ca 0.00 2.08 0.03 0.00 -1.71 0.00 0.00 55.69 56.09 3gbe s MET 386 Cb 0.00 -1.91 -0.02 0.00 2.01 0.00 0.00 34.83 34.91 3gbe s MET 386 CO 0.00 -1.52 0.05 0.95 -0.01 0.00 0.00 175.02 174.50 3gbe s THR 387 N -1.39 1.41 0.96 2.05 -4.23 -1.26 -4.56 115.64 108.62 3gbe s THR 387 Ca 0.81 -1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 3gbe s THR 387 Cb -0.38 -2.34 0.15 0.00 1.34 0.00 0.00 72.50 71.28 3gbe s THR 387 CO 0.41 0.00 1.03 0.59 -0.54 0.00 0.00 174.62 176.11 3gbe n ASN 388 N -1.27 -0.24 -4.87 3.99 5.03 -1.26 -4.86 115.26 111.79 3gbe n ASN 388 Ca -0.14 0.33 -0.36 0.00 0.87 0.00 0.00 54.58 55.27 3gbe n ASN 388 Cb 0.67 -1.41 -0.06 0.00 -1.02 0.00 0.00 39.78 37.96 3gbe n ASN 388 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3gbe s TYR 389 N -2.58 3.63 -1.22 3.10 5.04 -1.26 -5.01 117.35 119.05 3gbe s TYR 389 Ca 0.66 0.67 -0.12 0.00 -2.44 0.00 0.00 57.07 55.84 3gbe s TYR 389 Cb -0.23 -2.05 -0.06 0.00 0.35 0.00 0.00 41.96 39.97 3gbe s TYR 389 CO 0.60 0.67 2.34 -0.35 -1.34 0.00 0.00 175.55 177.46 3gbe n PRO 390 N 1.61 2.60 -1.99 4.97 -0.04 -1.26 -4.96 135.00 135.94 3gbe n PRO 390 Ca -0.15 -2.04 -0.41 0.00 -0.04 0.00 0.00 63.50 60.86 3gbe n PRO 390 Cb 0.53 -2.86 -0.02 0.00 -0.04 0.00 0.00 33.50 31.12 3gbe n PRO 390 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3gbe s PHE 391 N 3.35 2.91 0.01 0.54 0.40 -1.26 -4.94 117.98 118.99 3gbe s PHE 391 Ca 0.54 1.20 -0.04 0.00 -0.60 0.00 0.00 56.93 58.03 3gbe s PHE 391 Cb 0.14 -3.83 -0.02 0.00 0.51 0.00 0.00 43.02 39.83 3gbe s PHE 391 CO -0.02 -2.48 -0.08 1.63 0.70 0.00 0.00 175.22 174.97 3gbe n LYS 392 N 1.25 0.12 -4.06 0.44 4.76 -1.26 -4.96 118.16 114.45 3gbe n LYS 392 Ca 0.03 0.05 -0.24 0.00 -2.87 0.00 0.00 58.31 55.28 3gbe n LYS 392 Cb 0.40 -0.71 -0.04 0.00 -1.84 0.00 0.00 35.03 32.84 3gbe n LYS 392 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gbe s ALA 393 N -2.17 3.67 0.52 7.82 0.00 -1.26 -5.01 121.76 125.33 3gbe s ALA 393 Ca -0.07 -1.27 0.17 0.00 0.00 0.00 0.00 51.96 50.79 3gbe s ALA 393 Cb 0.02 -1.44 1.28 0.00 0.00 0.00 0.00 23.12 22.98 3gbe s ALA 393 CO 0.10 0.39 2.14 0.97 0.00 0.00 0.00 175.76 179.35 3gbe h ILE 394 N 1.69 0.97 0.00 0.00 6.09 -1.99 -2.00 117.51 122.28 3gbe h ILE 394 Ca -0.49 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 3gbe h ILE 394 Cb 1.22 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.48 3gbe h ILE 394 CO 0.63 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.81 3gbe n ASP 395 N -4.52 0.00 0.01 2.19 5.68 -1.26 -2.74 116.55 115.90 3gbe n ASP 395 Ca -0.02 -0.12 0.13 0.00 -0.50 0.00 0.00 54.79 54.29 3gbe n ASP 395 Cb 0.14 -0.23 0.49 0.00 -1.14 0.00 0.00 41.12 40.38 3gbe n ASP 395 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gbe n GLU 396 N -1.23 0.02 -3.35 0.11 1.02 -0.75 -4.86 120.64 111.60 3gbe n GLU 396 Ca 0.10 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.90 3gbe n GLU 396 Cb 0.14 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 3gbe n GLU 396 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3gbe s PHE 397 N -3.01 3.62 -0.17 -0.32 0.40 -1.11 -4.97 117.98 112.43 3gbe s PHE 397 Ca 0.13 1.07 0.18 0.00 -0.60 0.00 0.00 56.93 57.71 3gbe s PHE 397 Cb 0.18 -2.38 -0.25 0.00 0.51 0.00 0.00 43.02 41.08 3gbe s PHE 397 CO 0.59 0.44 0.13 -3.47 0.70 0.00 0.00 175.22 173.61 3gbe n ASP 398 N 0.86 0.22 -4.66 1.36 2.03 -1.26 -4.99 116.55 110.11 3gbe n ASP 398 Ca -0.06 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.83 3gbe n ASP 398 Cb 0.52 1.13 -0.03 0.00 -0.72 0.00 0.00 41.12 42.02 3gbe n ASP 398 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gbe s ASP 399 N -5.23 6.41 0.53 1.67 3.68 -1.26 -4.88 116.67 117.60 3gbe s ASP 399 Ca -0.09 2.53 0.20 0.00 2.13 0.00 0.00 52.55 57.32 3gbe s ASP 399 Cb 0.07 -2.53 1.36 0.00 -1.45 0.00 0.00 42.92 40.37 3gbe s ASP 399 CO 0.81 -1.10 2.12 -0.29 0.13 0.00 0.00 175.17 176.83 3gbe h ILE 400 N 5.74 0.87 -0.40 4.11 2.10 -1.94 -1.91 117.51 126.08 3gbe h ILE 400 Ca -0.47 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.40 3gbe h ILE 400 Cb 1.23 0.93 -0.01 0.00 -1.09 0.00 0.00 36.82 37.87 3gbe h ILE 400 CO 0.95 0.00 -0.03 -0.08 -1.08 0.00 0.00 178.15 177.91 3gbe h GLU 401 N 0.00 0.73 -0.33 2.19 4.81 -1.89 -0.40 114.58 119.69 3gbe h GLU 401 Ca 0.06 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 58.92 3gbe h GLU 401 Cb 0.27 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3gbe h GLU 401 CO -0.00 0.83 -0.29 0.28 -0.73 0.00 0.00 179.01 179.10 3gbe h VAL 402 N 0.55 1.28 -0.54 0.32 2.07 -1.79 -1.40 116.25 116.75 3gbe h VAL 402 Ca 0.11 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 3gbe h VAL 402 Cb 0.52 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3gbe h VAL 402 CO 0.03 0.46 0.26 0.11 0.02 0.00 0.00 177.57 178.45 3gbe h LYS 403 N 0.60 0.75 -0.22 1.57 1.57 -1.16 0.77 116.57 120.46 3gbe h LYS 403 Ca 0.07 -0.09 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 3gbe h LYS 403 Cb 0.80 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3gbe h LYS 403 CO 0.07 0.59 -0.65 0.78 -0.57 0.00 0.00 179.45 179.67 3gbe h GLY 404 N 0.86 0.87 1.27 3.86 0.00 -0.64 -2.08 103.07 107.21 3gbe h GLY 404 Ca 0.19 -1.10 -0.13 0.00 0.00 0.00 0.00 47.33 46.29 3gbe h GLY 404 CO -0.03 0.99 -0.26 0.74 0.00 0.00 0.00 176.54 177.98 3gbe h PHE 405 N 0.58 0.96 -0.40 5.60 0.05 -0.85 -0.68 116.94 122.20 3gbe h PHE 405 Ca -0.01 -0.24 -0.00 0.00 3.82 0.00 0.00 57.97 61.54 3gbe h PHE 405 Cb 1.25 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 38.96 3gbe h PHE 405 CO 0.07 1.00 0.24 2.35 -0.18 0.00 0.00 178.31 181.80 3gbe h TRP 406 N 0.71 0.53 -0.34 -0.55 2.91 -0.83 0.12 115.95 118.51 3gbe h TRP 406 Ca 0.09 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 3gbe h TRP 406 Cb 0.80 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.26 3gbe h TRP 406 CO 0.04 0.38 0.10 1.25 -1.03 0.00 0.00 178.44 179.19 3gbe h HIS 407 N 0.53 0.55 -0.05 2.65 2.76 -1.13 0.15 115.15 120.62 3gbe h HIS 407 Ca 0.15 -0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 58.13 3gbe h HIS 407 Cb 0.00 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3gbe h HIS 407 CO -0.03 0.55 -0.54 -0.44 -1.30 0.00 0.00 177.93 176.16 3gbe h ASP 408 N 0.40 0.15 0.00 3.26 3.32 -0.87 -3.28 116.42 119.40 3gbe h ASP 408 Ca 0.11 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.90 3gbe h ASP 408 Cb 0.26 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3gbe h ASP 408 CO -0.00 0.66 -1.68 -1.22 -1.72 0.00 0.00 179.24 175.28 3gbe n TYR 409 N -3.91 0.00 -0.11 4.55 4.02 0.39 -4.54 117.16 117.56 3gbe n TYR 409 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.65 3gbe n TYR 409 Cb 0.56 -0.48 -0.12 0.00 -0.02 0.00 0.00 39.34 39.29 3gbe n TYR 409 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3gbe n VAL 410 N -2.53 1.56 0.32 -0.72 0.31 -0.09 -0.54 118.33 116.64 3gbe n VAL 410 Ca -0.18 -0.47 0.16 0.00 -0.01 0.00 0.00 64.34 63.84 3gbe n VAL 410 Cb 0.79 -1.68 0.66 0.00 -0.91 0.00 0.00 33.84 32.70 3gbe n VAL 410 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3gbe h GLU 411 N -0.40 0.00 -0.01 5.55 5.08 -1.27 -0.69 114.58 122.85 3gbe h GLU 411 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 3gbe h GLU 411 Cb 1.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 3gbe h GLU 411 CO -0.17 0.00 -0.13 0.25 -1.00 0.00 0.00 179.01 177.96 3gbe n THR 412 N -2.77 0.00 -0.98 1.13 -2.24 -1.24 -4.94 114.28 103.23 3gbe n THR 412 Ca 0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3gbe n THR 412 Cb 0.25 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3gbe n THR 412 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gbe n GLY 413 N 1.27 0.61 0.24 3.38 0.00 -0.27 -4.92 105.19 105.50 3gbe n GLY 413 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3gbe n GLY 413 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gbe h LYS 414 N 1.53 0.64 -4.65 1.61 1.57 -1.55 -3.44 116.57 112.27 3gbe h LYS 414 Ca 0.00 -0.31 -0.40 0.00 -1.87 0.00 0.00 60.65 58.07 3gbe h LYS 414 Cb 0.07 -0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.08 3gbe h LYS 414 CO 0.00 0.90 -0.78 0.08 -0.57 0.00 0.00 179.45 179.08 3gbe s VAL 415 N -4.35 0.71 0.40 0.50 1.01 0.30 -5.02 120.40 113.95 3gbe s VAL 415 Ca -0.08 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 3gbe s VAL 415 Cb 0.12 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.80 3gbe s VAL 415 CO 0.83 0.21 1.20 -0.54 0.00 0.00 0.00 175.10 176.80 3gbe s LYS 416 N -0.05 4.03 0.25 2.72 1.02 -1.26 -4.25 119.74 122.20 3gbe s LYS 416 Ca 0.01 1.92 -0.03 0.00 0.02 0.00 0.00 55.97 57.89 3gbe s LYS 416 Cb -0.05 -2.70 0.48 0.00 -0.52 0.00 0.00 37.83 35.04 3gbe s LYS 416 CO -0.00 -0.36 1.75 0.00 -0.92 0.00 0.00 175.35 175.81 3gbe h ALA 417 N 2.65 1.15 -0.55 5.17 0.00 -1.96 -1.53 119.26 124.20 3gbe h ALA 417 Ca -0.49 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3gbe h ALA 417 Cb 1.24 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3gbe h ALA 417 CO 0.62 -0.14 0.09 0.38 0.00 0.00 0.00 179.25 180.20 3gbe h ASP 418 N 0.54 0.87 -0.62 0.00 3.04 -1.99 0.56 116.42 118.82 3gbe h ASP 418 Ca 0.43 -0.26 -0.08 0.00 -3.24 0.00 0.00 57.03 53.88 3gbe h ASP 418 Cb 0.61 -0.23 -0.02 0.00 -1.04 0.00 0.00 39.33 38.64 3gbe h ASP 418 CO -0.37 0.91 0.07 -0.08 -2.04 0.00 0.00 179.24 177.73 3gbe h GLU 419 N 0.80 1.06 -0.12 4.15 4.81 -1.86 -0.75 114.58 122.67 3gbe h GLU 419 Ca 0.17 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3gbe h GLU 419 Cb 0.41 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3gbe h GLU 419 CO 0.01 0.99 0.07 0.35 -0.73 0.00 0.00 179.01 179.70 3gbe h PHE 420 N 0.99 0.17 -0.43 0.92 3.57 -0.93 -2.44 116.94 118.79 3gbe h PHE 420 Ca 0.19 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3gbe h PHE 420 Cb 0.47 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 3gbe h PHE 420 CO 0.03 0.19 0.07 -0.07 -2.23 0.00 0.00 178.31 176.31 3gbe h LEU 421 N 0.10 0.61 -0.95 0.59 3.38 -0.69 0.11 115.31 118.47 3gbe h LEU 421 Ca 0.04 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3gbe h LEU 421 Cb 0.08 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 3gbe h LEU 421 CO -0.01 0.63 0.61 1.56 0.09 0.00 0.00 178.44 181.32 3gbe h GLN 422 N 0.64 1.08 -0.00 1.13 4.20 -0.81 -1.39 115.11 119.96 3gbe h GLN 422 Ca 0.14 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3gbe h GLN 422 Cb 0.29 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3gbe h GLN 422 CO 0.00 0.72 -0.00 -0.91 -0.67 0.00 0.00 178.83 177.97 3gbe h ASN 423 N 1.12 0.00 0.91 1.46 2.35 -0.86 -3.35 115.58 117.21 3gbe h ASN 423 Ca 0.40 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 3gbe h ASN 423 Cb 0.14 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3gbe h ASN 423 CO -0.16 0.79 0.00 -0.37 -1.65 0.00 0.00 177.43 176.04 3gbe h VAL 424 N -0.79 0.00 -0.18 2.81 -1.51 -0.90 -0.53 116.25 115.14 3gbe h VAL 424 Ca -0.00 -0.44 -0.03 0.00 -1.23 0.00 0.00 66.70 65.00 3gbe h VAL 424 Cb 0.79 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 3gbe h VAL 424 CO 0.00 0.00 -0.01 0.03 -1.23 0.00 0.00 177.57 176.36 3gbe h ARG 425 N 0.00 0.27 0.00 5.19 3.08 -1.38 0.12 114.38 121.65 3gbe h ARG 425 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3gbe h ARG 425 Cb 0.46 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3gbe h ARG 425 CO 0.00 0.30 -1.09 1.28 -1.07 0.00 0.00 179.97 179.39 3gbe n LEU 426 N -4.37 0.72 -0.00 3.04 4.77 -0.29 -4.51 117.00 116.36 3gbe n LEU 426 Ca -0.00 0.25 0.02 0.00 -0.03 0.00 0.00 56.01 56.24 3gbe n LEU 426 Cb 0.19 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3gbe n LEU 426 CO 0.37 -0.13 -0.26 0.35 -1.33 0.00 0.00 177.39 176.38 3gbe n THR 427 N -2.51 0.00 -1.76 -5.08 -2.24 -0.72 -4.65 114.28 97.32 3gbe n THR 427 Ca -0.00 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 3gbe n THR 427 Cb 0.53 0.73 0.01 0.00 -2.10 0.00 0.00 70.33 69.50 3gbe n THR 427 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3gbe n SER 428 N -1.33 3.43 0.27 3.42 2.88 0.37 -4.32 113.62 118.34 3gbe n SER 428 Ca 0.00 1.16 0.10 0.00 -1.33 0.00 0.00 58.87 58.81 3gbe n SER 428 Cb 0.07 -1.60 0.72 0.00 -0.75 0.00 0.00 64.21 62.65 3gbe n SER 428 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3gbe h ARG 429 N 2.54 0.00 0.00 -1.46 3.08 -1.87 -2.26 114.38 114.42 3gbe h ARG 429 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 3gbe h ARG 429 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 3gbe h ARG 429 CO 0.62 0.03 -0.03 -0.44 -1.07 0.00 0.00 179.97 179.08 3gbe h ASP 430 N 0.00 0.00 -0.16 7.04 3.32 -1.90 -1.84 116.42 122.89 3gbe h ASP 430 Ca -0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.09 3gbe h ASP 430 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3gbe h ASP 430 CO 0.00 0.03 0.16 0.78 -1.72 0.00 0.00 179.24 178.49 3gbe h ASN 431 N 0.00 0.00 -0.36 6.45 2.35 -1.71 -1.45 115.58 120.86 3gbe h ASN 431 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gbe h ASN 431 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3gbe h ASN 431 CO 0.00 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.58 3gbe n SER 432 N -3.90 3.09 -0.79 5.81 7.64 -0.69 -4.38 113.62 120.41 3gbe n SER 432 Ca 0.01 -1.90 0.08 0.00 1.01 0.00 0.00 58.87 58.07 3gbe n SER 432 Cb 0.28 -0.24 0.15 0.00 -1.01 0.00 0.00 64.21 63.39 3gbe n SER 432 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gbe n ARG 433 N 1.03 2.04 -2.40 1.43 1.74 -0.55 -4.82 116.66 115.13 3gbe n ARG 433 Ca 0.15 -1.89 -0.34 0.00 -0.77 0.00 0.00 57.85 55.00 3gbe n ARG 433 Cb 0.49 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 30.56 3gbe n ARG 433 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3gbe s THR 434 N -1.17 3.52 0.29 0.55 -4.23 -1.23 -4.80 115.64 108.57 3gbe s THR 434 Ca 0.26 0.94 -0.28 0.00 -1.18 0.00 0.00 61.69 61.43 3gbe s THR 434 Cb 0.15 -3.38 -0.14 0.00 1.34 0.00 0.00 72.50 70.48 3gbe s THR 434 CO 0.21 -0.21 1.08 -2.65 -0.54 0.00 0.00 174.62 172.52 3gbe n PRO 435 N -1.15 1.53 -1.72 3.99 -0.02 -1.26 -4.90 135.00 131.46 3gbe n PRO 435 Ca 0.10 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 3gbe n PRO 435 Cb 0.52 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 3gbe n PRO 435 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3gbe n PHE 436 N 0.34 2.62 -3.09 6.00 -0.00 -0.21 -4.78 117.46 118.33 3gbe n PHE 436 Ca 0.09 0.38 -0.45 0.00 -0.00 0.00 0.00 57.45 57.46 3gbe n PHE 436 Cb 0.33 -2.52 -0.03 0.00 -0.00 0.00 0.00 39.48 37.26 3gbe n PHE 436 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3gbe s GLN 437 N -0.98 3.55 -0.00 -4.13 -0.21 -1.26 -4.46 119.66 112.17 3gbe s GLN 437 Ca 0.62 -1.98 -0.20 0.00 0.02 0.00 0.00 55.36 53.82 3gbe s GLN 437 Cb -0.54 -4.67 -0.24 0.00 1.00 0.00 0.00 33.01 28.56 3gbe s GLN 437 CO 0.54 -1.57 1.08 -1.49 -2.12 0.00 0.00 175.29 171.73 3gbe h TRP 438 N 8.47 0.60 -1.92 0.91 4.06 -1.52 -0.92 115.95 125.64 3gbe h TRP 438 Ca 0.09 -0.34 0.00 0.00 2.06 0.00 0.00 58.89 60.71 3gbe h TRP 438 Cb 1.04 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 3gbe h TRP 438 CO 1.09 1.16 0.00 -0.40 -3.56 0.00 0.00 178.44 176.73 3gbe n ASP 439 N -4.21 0.00 -1.09 -3.49 5.68 -0.47 -0.65 116.55 112.33 3gbe n ASP 439 Ca -0.11 -0.92 0.08 0.00 -0.50 0.00 0.00 54.79 53.35 3gbe n ASP 439 Cb 0.69 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.91 3gbe n ASP 439 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gbe n GLY 440 N 0.00 1.71 3.94 6.12 0.00 -1.26 -4.24 105.19 111.46 3gbe n GLY 440 Ca 0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 3gbe n GLY 440 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gbe s SER 441 N -0.90 3.67 0.12 1.61 1.04 -1.26 -4.85 113.70 113.12 3gbe s SER 441 Ca 0.36 0.25 -0.35 0.00 0.48 0.00 0.00 55.95 56.69 3gbe s SER 441 Cb 0.21 -0.47 -0.16 0.00 0.10 0.00 0.00 66.02 65.70 3gbe s SER 441 CO 0.21 -2.37 1.26 1.17 0.98 0.00 0.00 173.24 174.49 3gbe n LYS 442 N -3.47 1.14 -2.79 4.02 4.81 -1.26 -0.40 118.16 120.20 3gbe n LYS 442 Ca 0.14 0.41 -0.20 0.00 -0.87 0.00 0.00 58.31 57.79 3gbe n LYS 442 Cb 0.60 -1.99 0.01 0.00 0.02 0.00 0.00 35.03 33.67 3gbe n LYS 442 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3gbe n ASN 443 N 2.30 -5.04 -2.16 3.14 3.02 -1.26 -2.18 115.26 113.08 3gbe n ASN 443 Ca 0.17 -0.12 -0.14 0.00 -0.03 0.00 0.00 54.58 54.46 3gbe n ASN 443 Cb 0.21 -4.16 -0.02 0.00 -0.61 0.00 0.00 39.78 35.20 3gbe n ASN 443 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gbe n ALA 444 N -2.84 -0.60 -0.94 5.41 0.00 0.46 -1.65 120.51 120.35 3gbe n ALA 444 Ca -0.14 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gbe n ALA 444 Cb 0.62 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3gbe n ALA 444 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbe n GLY 445 N -0.69 0.32 0.23 0.00 0.00 -0.93 -1.28 105.19 102.84 3gbe n GLY 445 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 3gbe n GLY 445 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gbe h PHE 446 N 0.00 0.74 -3.40 1.61 3.57 -1.53 -3.46 116.94 114.47 3gbe h PHE 446 Ca 0.00 -0.23 -0.07 0.00 3.53 0.00 0.00 57.97 61.20 3gbe h PHE 446 Cb 0.36 -0.15 -0.15 0.00 2.79 0.00 0.00 35.95 38.80 3gbe h PHE 446 CO 0.23 0.95 -0.17 -0.08 -2.23 0.00 0.00 178.31 177.00 3gbe s THR 447 N -4.19 0.09 -1.30 4.41 -1.32 -1.26 -1.65 115.64 110.41 3gbe s THR 447 Ca -0.08 -0.70 0.25 0.00 -1.21 0.00 0.00 61.69 59.95 3gbe s THR 447 Cb 0.12 -1.12 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 3gbe s THR 447 CO 0.84 -0.39 1.44 -1.54 -2.21 0.00 0.00 174.62 172.76 3gbe n SER 448 N 0.09 0.75 0.00 8.08 3.41 -1.26 -4.85 113.62 119.84 3gbe n SER 448 Ca -0.17 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 3gbe n SER 448 Cb 0.62 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 3gbe n SER 448 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gbe n GLY 449 N 1.44 2.80 3.39 5.00 0.00 -1.25 -4.98 105.19 111.58 3gbe n GLY 449 Ca 0.08 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 3gbe n GLY 449 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gbe s LYS 450 N 4.88 3.47 0.47 1.61 2.20 -1.26 -4.93 119.74 126.18 3gbe s LYS 450 Ca 0.00 -0.59 -0.23 0.00 -0.36 0.00 0.00 55.97 54.79 3gbe s LYS 450 Cb 0.00 -3.24 -0.08 0.00 -1.51 0.00 0.00 37.83 33.00 3gbe s LYS 450 CO 0.00 -0.24 1.18 -2.30 -0.36 0.00 0.00 175.35 173.63 3gbe n PRO 451 N 4.88 1.60 0.24 4.03 -0.02 -1.26 -3.88 135.00 140.58 3gbe n PRO 451 Ca -0.16 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 61.98 3gbe n PRO 451 Cb 0.51 -2.31 0.60 0.00 -0.02 0.00 0.00 33.50 32.28 3gbe n PRO 451 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3gbe h TRP 452 N 1.60 0.00 -3.83 6.00 5.08 -1.42 -3.41 115.95 119.97 3gbe h TRP 452 Ca -0.48 0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.18 3gbe h TRP 452 Cb 1.32 0.00 -0.29 0.00 -3.00 0.00 0.00 29.16 27.19 3gbe h TRP 452 CO 0.45 0.18 -0.75 0.12 -1.28 0.00 0.00 178.44 177.16 3gbe s PHE 453 N -4.34 0.38 0.40 0.12 5.99 -1.26 -5.13 117.98 114.14 3gbe s PHE 453 Ca -0.03 -0.07 -0.27 0.00 0.00 0.00 0.00 56.93 56.56 3gbe s PHE 453 Cb 0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 43.02 42.79 3gbe s PHE 453 CO 0.64 -0.02 1.46 1.63 -0.00 0.00 0.00 175.22 178.93 3gbe n LYS 454 N 3.11 2.52 -2.60 10.12 5.02 -1.26 -4.40 118.16 130.67 3gbe n LYS 454 Ca -0.14 0.89 -0.39 0.00 -2.02 0.00 0.00 58.31 56.65 3gbe n LYS 454 Cb 0.58 -2.64 -0.05 0.00 -0.02 0.00 0.00 35.03 32.89 3gbe n LYS 454 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gbe s VAL 455 N -1.14 3.77 0.17 -0.18 1.01 -1.26 -4.44 120.40 118.33 3gbe s VAL 455 Ca 0.56 1.66 -0.31 0.00 0.00 0.00 0.00 61.98 63.88 3gbe s VAL 455 Cb -0.47 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 3gbe s VAL 455 CO 0.62 0.30 1.52 0.21 0.00 0.00 0.00 175.10 177.75 3gbe s ASN 456 N -1.18 6.63 0.57 3.32 3.84 -1.26 -4.86 114.94 122.00 3gbe s ASN 456 Ca 0.47 2.59 0.32 0.00 0.21 0.00 0.00 52.86 56.45 3gbe s ASN 456 Cb -0.27 -2.60 1.75 0.00 -0.55 0.00 0.00 41.25 39.58 3gbe s ASN 456 CO 0.34 -0.78 1.97 -0.65 -2.79 0.00 0.00 177.10 175.20 3gbe h PRO 457 N 6.45 0.00 0.00 0.43 0.11 -1.98 -1.88 132.00 135.12 3gbe h PRO 457 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gbe h PRO 457 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gbe h PRO 457 CO 0.88 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.94 3gbe n ASN 458 N -2.76 0.00 0.30 -2.05 0.23 -1.26 -3.68 115.26 106.05 3gbe n ASN 458 Ca -0.02 -1.47 0.19 0.00 -0.53 0.00 0.00 54.58 52.75 3gbe n ASN 458 Cb 0.20 0.00 0.96 0.00 -2.08 0.00 0.00 39.78 38.87 3gbe n ASN 458 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 3gbe h TYR 459 N 0.00 0.00 0.00 -2.53 -0.00 -1.55 0.97 116.97 113.86 3gbe h TYR 459 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 3gbe h TYR 459 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 3gbe h TYR 459 CO 0.00 0.03 -0.12 1.96 -0.00 0.00 0.00 178.16 180.03 3gbe h GLN 460 N 0.00 0.00 0.00 0.10 4.20 -1.85 -3.13 115.11 114.42 3gbe h GLN 460 Ca -0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 3gbe h GLN 460 Cb 0.20 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 3gbe h GLN 460 CO 0.00 0.12 -2.34 0.39 -0.67 0.00 0.00 178.83 176.33 3gbe n GLU 461 N -3.22 0.79 -4.02 1.46 -0.58 -0.20 -4.87 120.64 109.99 3gbe n GLU 461 Ca 0.01 -0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 3gbe n GLU 461 Cb 0.40 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.62 3gbe n GLU 461 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3gbe s ILE 462 N -2.49 2.24 0.07 -3.67 1.01 0.16 -5.05 121.20 113.47 3gbe s ILE 462 Ca -0.10 -2.22 -0.19 0.00 0.00 0.00 0.00 60.65 58.14 3gbe s ILE 462 Cb 0.06 -2.61 0.04 0.00 0.01 0.00 0.00 42.46 39.97 3gbe s ILE 462 CO 0.81 -0.51 0.45 0.54 0.00 0.00 0.00 174.94 176.23 3gbe s ASN 463 N 0.94 -0.34 0.16 3.58 2.20 -1.26 -4.41 114.94 115.82 3gbe s ASN 463 Ca 0.08 -0.02 -0.14 0.00 -0.94 0.00 0.00 52.86 51.84 3gbe s ASN 463 Cb -0.19 0.47 0.04 0.00 -2.00 0.00 0.00 41.25 39.56 3gbe s ASN 463 CO -0.08 -0.74 1.74 0.00 -2.94 0.00 0.00 177.10 175.08 3gbe h ALA 464 N 2.73 0.64 -0.90 3.54 0.00 -0.77 -2.84 119.26 121.67 3gbe h ALA 464 Ca -0.32 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.49 3gbe h ALA 464 Cb 1.22 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3gbe h ALA 464 CO 0.43 0.20 0.59 0.28 0.00 0.00 0.00 179.25 180.75 3gbe h VAL 465 N 0.66 1.21 -0.29 0.00 2.07 -1.17 -0.12 116.25 118.61 3gbe h VAL 465 Ca 0.17 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3gbe h VAL 465 Cb 0.11 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 3gbe h VAL 465 CO -0.02 0.22 -0.02 -1.28 0.02 0.00 0.00 177.57 176.49 3gbe h SER 466 N 1.19 0.41 0.46 0.57 0.87 -1.79 -3.27 113.55 111.98 3gbe h SER 466 Ca 0.34 -0.07 -0.30 0.00 -1.23 0.00 0.00 61.79 60.52 3gbe h SER 466 Cb -0.11 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 3gbe h SER 466 CO -0.08 0.49 -1.72 1.56 -0.53 0.00 0.00 176.83 176.54 3gbe h GLN 467 N 0.42 0.04 0.00 2.24 4.20 -1.07 -3.37 115.11 117.56 3gbe h GLN 467 Ca 0.09 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3gbe h GLN 467 Cb 0.31 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3gbe h GLN 467 CO 0.01 0.61 -0.08 -0.39 -0.67 0.00 0.00 178.83 178.31 3gbe h VAL 468 N 0.01 0.80 -0.17 -0.54 -1.51 -1.11 -2.01 116.25 111.73 3gbe h VAL 468 Ca -0.29 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3gbe h VAL 468 Cb 2.01 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 32.35 3gbe h VAL 468 CO 0.08 0.08 0.00 0.35 -1.23 0.00 0.00 177.57 176.86 3gbe n THR 469 N -4.07 0.20 -3.56 7.19 -2.24 -1.26 -4.82 114.28 105.73 3gbe n THR 469 Ca -0.03 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 3gbe n THR 469 Cb 0.17 1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 69.42 3gbe n THR 469 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3gbe s GLN 470 N -1.80 2.97 0.58 -0.78 -1.52 -0.76 -4.97 119.66 113.37 3gbe s GLN 470 Ca 0.33 -0.99 0.28 0.00 -1.95 0.00 0.00 55.36 53.03 3gbe s GLN 470 Cb 0.21 -3.79 1.49 0.00 -0.22 0.00 0.00 33.01 30.70 3gbe s GLN 470 CO 0.31 -0.67 1.95 -1.00 -0.25 0.00 0.00 175.29 175.63 3gbe h PRO 471 N 8.49 0.00 -0.64 2.91 0.13 -1.87 -1.47 132.00 139.54 3gbe h PRO 471 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3gbe h PRO 471 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3gbe h PRO 471 CO 0.68 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.98 3gbe n ASP 472 N -3.88 4.24 -4.82 1.44 2.03 -1.26 -4.70 116.55 109.59 3gbe n ASP 472 Ca 0.08 -2.37 -0.30 0.00 0.52 0.00 0.00 54.79 52.72 3gbe n ASP 472 Cb 0.63 -0.54 0.08 0.00 -0.72 0.00 0.00 41.12 40.57 3gbe n ASP 472 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3gbe s SER 473 N -0.85 4.71 0.16 1.67 1.04 -0.55 -4.89 113.70 114.98 3gbe s SER 473 Ca 0.45 1.26 -0.13 0.00 0.48 0.00 0.00 55.95 58.01 3gbe s SER 473 Cb 0.29 -2.01 0.05 0.00 0.10 0.00 0.00 66.02 64.46 3gbe s SER 473 CO 0.22 -1.83 1.73 0.58 0.98 0.00 0.00 173.24 174.93 3gbe h VAL 474 N -0.99 1.21 -0.38 5.02 2.07 -1.89 -1.45 116.25 119.84 3gbe h VAL 474 Ca -0.46 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 66.51 3gbe h VAL 474 Cb 1.27 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 3gbe h VAL 474 CO 0.60 0.24 0.03 0.15 0.02 0.00 0.00 177.57 178.61 3gbe h PHE 475 N 0.72 0.04 0.00 1.57 3.04 -1.64 -1.04 116.94 119.63 3gbe h PHE 475 Ca 0.18 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.16 3gbe h PHE 475 Cb 0.15 0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.70 3gbe h PHE 475 CO 0.00 -0.04 0.00 0.09 -2.02 0.00 0.00 178.31 176.34 3gbe n ASN 476 N -5.15 0.68 0.07 0.41 3.02 -1.06 -1.20 115.26 112.03 3gbe n ASN 476 Ca 0.02 0.63 -0.21 0.00 -0.03 0.00 0.00 54.58 54.99 3gbe n ASN 476 Cb 0.19 -0.79 -0.14 0.00 -0.61 0.00 0.00 39.78 38.43 3gbe n ASN 476 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3gbe h TYR 477 N 0.00 0.73 -0.69 3.10 3.20 -0.14 -1.78 116.97 121.39 3gbe h TYR 477 Ca 0.00 -0.50 0.00 0.00 3.14 0.00 0.00 58.73 61.38 3gbe h TYR 477 Cb 0.47 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 3gbe h TYR 477 CO 0.00 1.36 0.44 1.88 -1.64 0.00 0.00 178.16 180.20 3gbe h TYR 478 N -0.11 0.88 -0.55 -3.82 -1.99 -0.89 -0.30 116.97 110.19 3gbe h TYR 478 Ca -0.16 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.60 3gbe h TYR 478 Cb 1.74 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 40.14 3gbe h TYR 478 CO 0.16 0.57 0.34 -0.09 -0.00 0.00 0.00 178.16 179.14 3gbe h ARG 479 N 0.93 0.66 -0.54 4.88 2.43 -1.13 0.44 114.38 122.05 3gbe h ARG 479 Ca 0.25 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3gbe h ARG 479 Cb -0.08 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3gbe h ARG 479 CO -0.05 0.44 0.22 1.96 -1.51 0.00 0.00 179.97 181.02 3gbe h GLN 480 N 0.68 0.81 -0.42 0.20 4.20 -0.86 -2.08 115.11 117.65 3gbe h GLN 480 Ca 0.22 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 3gbe h GLN 480 Cb -0.00 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3gbe h GLN 480 CO -0.08 0.70 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.66 3gbe h LEU 481 N 0.74 0.67 -0.73 1.46 3.38 -0.53 -0.74 115.31 119.57 3gbe h LEU 481 Ca 0.18 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3gbe h LEU 481 Cb 0.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3gbe h LEU 481 CO -0.02 0.77 -0.18 0.40 0.09 0.00 0.00 178.44 179.51 3gbe h ILE 482 N 0.65 1.27 -0.40 1.22 2.04 -0.71 0.44 117.51 122.00 3gbe h ILE 482 Ca 0.12 -1.27 -0.09 0.00 1.00 0.00 0.00 64.86 64.62 3gbe h ILE 482 Cb 0.48 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3gbe h ILE 482 CO 0.02 0.43 -0.11 0.50 0.00 0.00 0.00 178.15 179.00 3gbe h LYS 483 N 0.70 0.79 -0.61 2.37 3.64 -0.95 -1.08 116.57 121.42 3gbe h LYS 483 Ca 0.11 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3gbe h LYS 483 Cb 0.68 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 3gbe h LYS 483 CO 0.05 0.92 0.37 0.82 -2.27 0.00 0.00 179.45 179.34 3gbe h ILE 484 N 0.60 1.18 -0.49 2.00 2.04 -0.83 -0.02 117.51 121.99 3gbe h ILE 484 Ca 0.10 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3gbe h ILE 484 Cb 0.63 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3gbe h ILE 484 CO 0.04 0.18 0.23 -0.09 0.00 0.00 0.00 178.15 178.51 3gbe h ARG 485 N 0.82 0.72 -0.15 2.37 2.43 -0.76 -1.33 114.38 118.48 3gbe h ARG 485 Ca 0.22 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3gbe h ARG 485 Cb -0.03 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3gbe h ARG 485 CO -0.04 0.61 0.02 0.45 -1.51 0.00 0.00 179.97 179.51 3gbe h HIS 486 N 0.65 0.21 0.00 2.20 3.86 -0.62 -2.94 115.15 118.52 3gbe h HIS 486 Ca 0.17 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3gbe h HIS 486 Cb 0.14 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3gbe h HIS 486 CO -0.00 0.20 -0.59 -0.44 0.86 0.00 0.00 177.93 177.96 3gbe h ASP 487 N 0.21 0.00 -3.73 2.45 3.45 -0.39 -3.44 116.42 114.97 3gbe h ASP 487 Ca 0.05 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.85 3gbe h ASP 487 Cb 0.11 0.00 -0.38 0.00 -0.56 0.00 0.00 39.33 38.50 3gbe h ASP 487 CO -0.00 0.08 -0.73 -0.63 -1.57 0.00 0.00 179.24 176.39 3gbe s ILE 488 N -3.24 2.36 0.38 0.35 1.01 -0.56 -5.00 121.20 116.51 3gbe s ILE 488 Ca 0.03 -2.06 0.15 0.00 0.00 0.00 0.00 60.65 58.76 3gbe s ILE 488 Cb 0.07 -2.61 0.36 0.00 0.01 0.00 0.00 42.46 40.30 3gbe s ILE 488 CO 0.74 -0.41 1.81 -0.65 0.00 0.00 0.00 174.94 176.43 3gbe h PRO 489 N 7.71 0.49 0.00 2.79 0.11 -1.86 -0.84 132.00 140.40 3gbe h PRO 489 Ca -0.10 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3gbe h PRO 489 Cb 1.03 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3gbe h PRO 489 CO 0.52 0.32 -0.03 0.00 -0.21 0.00 0.00 178.00 178.60 3gbe h ALA 490 N 1.62 1.75 0.00 -0.75 0.00 -1.93 -0.46 119.26 119.49 3gbe h ALA 490 Ca 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3gbe h ALA 490 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gbe h ALA 490 CO -0.27 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.30 3gbe n LEU 491 N -4.21 0.44 -0.09 0.00 4.77 -0.32 -1.03 117.00 116.56 3gbe n LEU 491 Ca -0.03 0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 56.40 3gbe n LEU 491 Cb 0.11 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 3gbe n LEU 491 CO 0.32 -0.24 -0.78 0.41 -1.33 0.00 0.00 177.39 175.77 3gbe n THR 492 N -1.94 1.49 0.74 -5.08 -1.04 -0.30 -4.38 114.28 103.77 3gbe n THR 492 Ca 0.05 0.06 0.11 0.00 -2.04 0.00 0.00 64.05 62.24 3gbe n THR 492 Cb 0.32 -2.24 0.09 0.00 -1.82 0.00 0.00 70.33 66.67 3gbe n THR 492 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3gbe n TYR 493 N -4.38 0.19 -1.82 -1.42 4.02 -0.49 -4.28 117.16 108.98 3gbe n TYR 493 Ca -0.20 0.06 -0.38 0.00 -0.01 0.00 0.00 57.90 57.37 3gbe n TYR 493 Cb 0.56 -0.35 0.05 0.00 -0.02 0.00 0.00 39.34 39.57 3gbe n TYR 493 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3gbe s GLY 494 N -3.39 2.86 0.33 2.72 0.00 -0.20 -4.94 107.32 104.70 3gbe s GLY 494 Ca 0.07 1.24 -0.29 0.00 0.00 0.00 0.00 44.72 45.74 3gbe s GLY 494 CO 0.77 1.71 1.44 2.41 0.00 0.00 0.00 173.10 179.43 3gbe n THR 495 N -1.35 1.63 -3.63 0.90 -1.04 0.36 -4.44 114.28 106.71 3gbe n THR 495 Ca 0.12 -0.41 -0.37 0.00 -2.04 0.00 0.00 64.05 61.36 3gbe n THR 495 Cb 0.47 -1.78 -0.10 0.00 -1.82 0.00 0.00 70.33 67.10 3gbe n THR 495 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3gbe s TYR 496 N -0.71 3.28 -0.13 -1.42 5.04 -1.26 -1.62 117.35 120.53 3gbe s TYR 496 Ca 0.58 0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 55.40 3gbe s TYR 496 Cb -0.53 -2.31 0.03 0.00 0.35 0.00 0.00 41.96 39.50 3gbe s TYR 496 CO 0.58 -0.01 -0.04 0.99 -1.34 0.00 0.00 175.55 175.73 3gbe s THR 497 N 1.29 0.90 -0.11 4.34 2.01 -0.72 -4.98 115.64 118.38 3gbe s THR 497 Ca 0.08 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 3gbe s THR 497 Cb -0.14 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 3gbe s THR 497 CO 0.07 0.21 1.01 -0.62 -0.69 0.00 0.00 174.62 174.60 3gbe s ASP 498 N 1.74 7.24 0.41 3.53 3.68 -1.26 -0.88 116.67 131.12 3gbe s ASP 498 Ca 0.03 1.54 0.20 0.00 2.13 0.00 0.00 52.55 56.44 3gbe s ASP 498 Cb -0.14 -2.56 0.88 0.00 -1.45 0.00 0.00 42.92 39.65 3gbe s ASP 498 CO -0.07 -0.46 1.84 -0.07 0.13 0.00 0.00 175.17 176.53 3gbe h LEU 499 N 8.06 0.00 -5.86 -1.34 3.38 -1.61 -3.41 115.31 114.54 3gbe h LEU 499 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3gbe h LEU 499 Cb 1.14 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.71 3gbe h LEU 499 CO 0.86 0.31 -0.37 -0.62 0.09 0.00 0.00 178.44 178.71 3gbe s ASP 500 N -6.46 -1.30 0.36 -0.43 3.68 -1.26 -5.02 116.67 106.24 3gbe s ASP 500 Ca -0.01 -0.54 0.21 0.00 2.13 0.00 0.00 52.55 54.34 3gbe s ASP 500 Cb 0.12 1.67 1.14 0.00 -1.45 0.00 0.00 42.92 44.41 3gbe s ASP 500 CO 0.67 -0.16 1.61 -0.65 0.13 0.00 0.00 175.17 176.77 3gbe h PRO 501 N 6.83 0.00 -0.21 4.34 0.11 -1.94 -2.24 132.00 138.89 3gbe h PRO 501 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3gbe h PRO 501 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gbe h PRO 501 CO 0.07 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.86 3gbe n ALA 502 N -1.74 2.44 -2.67 -0.75 0.00 -1.26 -4.58 120.51 111.95 3gbe n ALA 502 Ca -0.01 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 3gbe n ALA 502 Cb 0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 3gbe n ALA 502 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3gbe s ASN 503 N -1.74 7.09 0.00 0.00 3.04 -0.84 -4.82 114.94 117.67 3gbe s ASN 503 Ca 0.34 1.36 0.23 0.00 0.04 0.00 0.00 52.86 54.82 3gbe s ASN 503 Cb 0.21 -2.52 0.54 0.00 -1.54 0.00 0.00 41.25 37.94 3gbe s ASN 503 CO 0.31 -0.55 1.45 0.47 -3.04 0.00 0.00 177.10 175.74 3gbe n ASP 504 N 5.78 2.70 -0.02 -4.21 8.00 -1.26 -3.88 116.55 123.66 3gbe n ASP 504 Ca 0.09 -1.88 -0.03 0.00 0.71 0.00 0.00 54.79 53.69 3gbe n ASP 504 Cb 0.47 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 3gbe n ASP 504 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3gbe n SER 505 N 1.01 1.06 -4.23 -2.24 7.64 -1.26 -4.40 113.62 111.20 3gbe n SER 505 Ca 0.18 0.03 -0.34 0.00 1.01 0.00 0.00 58.87 59.74 3gbe n SER 505 Cb 0.50 -0.08 -0.15 0.00 -1.01 0.00 0.00 64.21 63.47 3gbe n SER 505 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gbe s VAL 506 N -2.06 2.84 -0.26 0.44 1.01 -1.26 -0.93 120.40 120.19 3gbe s VAL 506 Ca -0.04 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 3gbe s VAL 506 Cb 0.02 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3gbe s VAL 506 CO 0.06 0.47 0.54 -0.47 0.00 0.00 0.00 175.10 175.69 3gbe s TYR 507 N 1.40 3.27 -0.03 5.22 5.04 0.05 -4.85 117.35 127.45 3gbe s TYR 507 Ca 0.05 0.67 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 3gbe s TYR 507 Cb -0.14 -2.74 0.02 0.00 0.35 0.00 0.00 41.96 39.46 3gbe s TYR 507 CO -0.07 -0.29 0.06 0.00 -1.34 0.00 0.00 175.55 173.91 3gbe s ALA 508 N 2.34 -0.07 0.16 3.97 0.00 -1.26 -0.72 121.76 126.17 3gbe s ALA 508 Ca 0.22 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 3gbe s ALA 508 Cb -0.16 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.74 3gbe s ALA 508 CO 0.09 -0.09 0.40 1.52 0.00 0.00 0.00 175.76 177.68 3gbe s TYR 509 N 0.74 0.01 0.21 0.00 -0.85 -0.72 -1.44 117.35 115.30 3gbe s TYR 509 Ca -0.06 -0.36 0.10 0.00 -0.52 0.00 0.00 57.07 56.23 3gbe s TYR 509 Cb -0.08 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 3gbe s TYR 509 CO -0.03 -0.78 -0.15 0.95 -1.52 0.00 0.00 175.55 174.03 3gbe s THR 510 N -3.88 2.82 -0.13 -3.49 -4.23 -0.06 -0.49 115.64 106.18 3gbe s THR 510 Ca 0.09 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 3gbe s THR 510 Cb 0.01 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.46 3gbe s THR 510 CO -0.05 -0.19 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.57 3gbe s ARG 511 N -2.97 2.18 -0.04 3.99 1.81 0.05 -1.75 118.95 122.21 3gbe s ARG 511 Ca 0.25 -0.52 0.03 0.00 -1.72 0.00 0.00 55.73 53.77 3gbe s ARG 511 Cb -0.08 -1.97 0.01 0.00 -0.45 0.00 0.00 34.95 32.46 3gbe s ARG 511 CO 0.14 -0.19 -0.12 -1.12 -0.68 0.00 0.00 175.30 173.33 3gbe s SER 512 N 1.36 1.61 -0.31 0.23 0.01 -0.64 -0.93 113.70 115.03 3gbe s SER 512 Ca 0.01 -0.26 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 3gbe s SER 512 Cb -0.13 -0.56 0.10 0.00 0.21 0.00 0.00 66.02 65.64 3gbe s SER 512 CO -0.08 0.07 0.13 -0.22 0.41 0.00 0.00 173.24 173.55 3gbe s LEU 513 N 0.34 1.39 0.00 2.44 2.96 0.00 -0.49 118.68 125.33 3gbe s LEU 513 Ca -0.07 -1.55 0.00 0.00 -0.22 0.00 0.00 54.13 52.28 3gbe s LEU 513 Cb -0.12 -0.60 0.00 0.00 0.50 0.00 0.00 46.19 45.97 3gbe s LEU 513 CO 0.02 -0.41 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 3gbe n GLY 514 N 4.93 3.30 0.00 7.98 0.00 -1.26 -1.62 105.19 118.52 3gbe n GLY 514 Ca -0.02 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.95 3gbe n GLY 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbe n ALA 515 N 11.32 2.47 -2.60 4.61 0.00 -1.26 -4.65 120.51 130.40 3gbe n ALA 515 Ca 0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 3gbe n ALA 515 Cb 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 3gbe n ALA 515 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gbe s GLU 516 N -2.48 3.26 -0.06 0.00 0.41 -0.64 -4.85 118.70 114.35 3gbe s GLU 516 Ca 0.30 -0.45 0.02 0.00 -0.41 0.00 0.00 54.97 54.44 3gbe s GLU 516 Cb 0.20 -4.00 0.01 0.00 -1.78 0.00 0.00 34.13 28.56 3gbe s GLU 516 CO 0.43 -1.14 -0.11 0.21 -0.49 0.00 0.00 175.26 174.16 3gbe s LYS 517 N 3.00 1.54 0.11 1.61 2.20 -1.26 -0.82 119.74 126.12 3gbe s LYS 517 Ca 0.23 -0.37 0.10 0.00 -0.36 0.00 0.00 55.97 55.57 3gbe s LYS 517 Cb -0.15 -1.30 -0.04 0.00 -1.51 0.00 0.00 37.83 34.83 3gbe s LYS 517 CO 0.18 0.03 -0.25 0.71 -0.36 0.00 0.00 175.35 175.65 3gbe s TYR 518 N 0.65 2.35 -0.07 4.03 1.51 -0.11 -0.76 117.35 124.95 3gbe s TYR 518 Ca -0.13 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 3gbe s TYR 518 Cb -0.15 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 3gbe s TYR 518 CO 0.03 0.31 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.48 3gbe s LEU 519 N -1.94 2.74 -0.07 -1.29 2.96 0.13 -0.77 118.68 120.44 3gbe s LEU 519 Ca 0.14 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.88 3gbe s LEU 519 Cb -0.10 -1.57 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 3gbe s LEU 519 CO 0.06 0.30 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.47 3gbe s VAL 520 N -0.46 1.94 -0.01 1.68 1.01 0.35 -0.39 120.40 124.52 3gbe s VAL 520 Ca 0.06 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3gbe s VAL 520 Cb -0.12 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 3gbe s VAL 520 CO 0.02 0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 174.89 3gbe s VAL 521 N 0.08 0.64 -0.04 2.92 1.01 -0.56 -1.75 120.40 122.70 3gbe s VAL 521 Ca -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3gbe s VAL 521 Cb -0.15 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.72 3gbe s VAL 521 CO 0.05 0.18 0.03 -0.69 0.00 0.00 0.00 175.10 174.68 3gbe s VAL 522 N -0.13 0.04 -0.49 2.92 1.01 0.10 -1.14 120.40 122.70 3gbe s VAL 522 Ca 0.02 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 3gbe s VAL 522 Cb -0.04 -0.21 0.04 0.00 0.00 0.00 0.00 36.38 36.17 3gbe s VAL 522 CO -0.00 0.16 0.74 0.21 0.00 0.00 0.00 175.10 176.21 3gbe s ASN 523 N 1.61 6.31 0.00 3.32 3.04 0.10 -0.77 114.94 128.55 3gbe s ASN 523 Ca -0.02 -0.48 0.29 0.00 0.04 0.00 0.00 52.86 52.70 3gbe s ASN 523 Cb -0.13 -2.35 1.54 0.00 -1.54 0.00 0.00 41.25 38.77 3gbe s ASN 523 CO -0.03 -0.95 2.03 0.49 -3.04 0.00 0.00 177.10 175.60 3gbe n PHE 524 N 6.62 0.00 -3.49 0.43 3.01 -0.10 -2.52 117.46 121.40 3gbe n PHE 524 Ca -0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.17 3gbe n PHE 524 Cb 0.47 -0.22 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 3gbe n PHE 524 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3gbe s LYS 525 N -2.44 3.57 -0.44 -1.08 -0.14 -1.25 -4.86 119.74 113.09 3gbe s LYS 525 Ca 0.31 -0.18 0.02 0.00 -1.36 0.00 0.00 55.97 54.76 3gbe s LYS 525 Cb 0.20 -2.73 0.54 0.00 -1.68 0.00 0.00 37.83 34.16 3gbe s LYS 525 CO 0.42 0.28 1.86 0.39 -0.76 0.00 0.00 175.35 177.55 3gbe n GLU 526 N -0.92 2.19 -4.13 1.68 1.02 -1.26 -2.24 120.64 116.98 3gbe n GLU 526 Ca -0.03 -2.70 -0.14 0.00 -0.02 0.00 0.00 57.16 54.27 3gbe n GLU 526 Cb 0.54 -2.06 -0.11 0.00 -0.02 0.00 0.00 31.44 29.79 3gbe n GLU 526 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3gbe s GLN 527 N -3.01 0.70 0.41 3.49 -0.21 -1.26 -4.81 119.66 114.97 3gbe s GLN 527 Ca 0.52 -0.97 -0.26 0.00 0.02 0.00 0.00 55.36 54.66 3gbe s GLN 527 Cb 0.43 -0.45 -0.09 0.00 1.00 0.00 0.00 33.01 33.90 3gbe s GLN 527 CO 0.07 0.08 1.36 1.41 -2.12 0.00 0.00 175.29 176.09 3gbe s MET 528 N -2.20 3.95 0.00 2.91 1.75 -1.26 -4.04 119.30 120.42 3gbe s MET 528 Ca -0.02 2.29 0.03 0.00 -1.25 0.00 0.00 55.69 56.74 3gbe s MET 528 Cb -0.06 -2.79 -0.01 0.00 2.84 0.00 0.00 34.83 34.81 3gbe s MET 528 CO 0.00 -0.55 -0.09 -1.64 -0.65 0.00 0.00 175.02 172.09 3gbe s MET 529 N -2.23 0.70 -0.10 4.11 -1.94 0.25 -4.99 119.30 115.10 3gbe s MET 529 Ca 0.57 -0.40 -0.04 0.00 -1.71 0.00 0.00 55.69 54.10 3gbe s MET 529 Cb -0.41 -0.66 -0.04 0.00 2.01 0.00 0.00 34.83 35.74 3gbe s MET 529 CO 0.53 0.17 0.05 1.03 -0.01 0.00 0.00 175.02 176.80 3gbe s ARG 530 N -0.45 3.16 -0.13 2.03 0.52 -1.26 0.50 118.95 123.30 3gbe s ARG 530 Ca 0.02 -0.30 -0.03 0.00 -0.52 0.00 0.00 55.73 54.89 3gbe s ARG 530 Cb -0.04 -2.94 0.05 0.00 0.52 0.00 0.00 34.95 32.53 3gbe s ARG 530 CO -0.00 0.73 0.06 -0.47 0.02 0.00 0.00 175.30 175.64 3gbe s TYR 531 N -0.93 0.42 -0.13 -0.53 5.04 0.31 -4.96 117.35 116.56 3gbe s TYR 531 Ca 0.14 -0.29 -0.22 0.00 -2.44 0.00 0.00 57.07 54.26 3gbe s TYR 531 Cb -0.12 -0.74 -0.03 0.00 0.35 0.00 0.00 41.96 41.42 3gbe s TYR 531 CO 0.03 -0.44 0.65 0.21 -1.34 0.00 0.00 175.55 174.66 3gbe s LYS 532 N 2.06 4.33 0.49 4.97 2.47 -1.26 -0.81 119.74 131.98 3gbe s LYS 532 Ca 0.02 0.72 -0.22 0.00 -1.56 0.00 0.00 55.97 54.93 3gbe s LYS 532 Cb -0.15 -3.50 -0.07 0.00 -1.46 0.00 0.00 37.83 32.65 3gbe s LYS 532 CO -0.07 -0.06 1.19 -0.51 0.16 0.00 0.00 175.35 176.06 3gbe s LEU 533 N 1.29 3.94 0.75 5.43 1.43 0.10 -5.00 118.68 126.62 3gbe s LEU 533 Ca 0.32 2.36 -0.06 0.00 -1.03 0.00 0.00 54.13 55.73 3gbe s LEU 533 Cb -0.16 -4.30 0.11 0.00 0.03 0.00 0.00 46.19 41.86 3gbe s LEU 533 CO 0.13 -1.08 1.05 -2.16 0.23 0.00 0.00 176.35 174.52 3gbe s PRO 534 N -2.82 1.73 -1.49 1.29 0.04 -1.26 -4.57 135.00 127.92 3gbe s PRO 534 Ca 0.66 -0.64 -0.05 0.00 0.04 0.00 0.00 61.00 61.02 3gbe s PRO 534 Cb -0.30 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.06 3gbe s PRO 534 CO 0.36 -1.50 0.09 -0.25 0.04 0.00 0.00 177.00 175.74 3gbe n ASP 535 N -3.01 0.27 -1.90 6.66 10.43 -1.26 -1.37 116.55 126.39 3gbe n ASP 535 Ca 0.12 -1.27 -0.11 0.00 2.57 0.00 0.00 54.79 56.10 3gbe n ASP 535 Cb 0.60 -1.57 -0.03 0.00 1.84 0.00 0.00 41.12 41.97 3gbe n ASP 535 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3gbe n ASN 536 N -2.74 -3.31 -4.78 -2.24 5.03 -1.26 -4.94 115.26 101.01 3gbe n ASN 536 Ca -0.30 0.25 -0.36 0.00 0.87 0.00 0.00 54.58 55.04 3gbe n ASN 536 Cb 0.67 -2.98 -0.03 0.00 -1.02 0.00 0.00 39.78 36.42 3gbe n ASN 536 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gbe s LEU 537 N -4.54 4.10 0.07 3.41 1.43 -0.47 -5.04 118.68 117.64 3gbe s LEU 537 Ca 0.00 2.09 -0.10 0.00 -1.03 0.00 0.00 54.13 55.09 3gbe s LEU 537 Cb 0.00 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 42.02 3gbe s LEU 537 CO 0.00 -0.59 0.22 -0.94 0.23 0.00 0.00 176.35 175.27 3gbe s SER 538 N -1.54 0.03 -0.02 2.29 1.04 -1.26 -4.66 113.70 109.58 3gbe s SER 538 Ca 0.59 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 56.36 3gbe s SER 538 Cb -0.23 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 3gbe s SER 538 CO 0.29 -0.67 0.55 -0.63 0.98 0.00 0.00 173.24 173.76 3gbe s ILE 539 N -3.26 4.96 -0.20 -1.02 1.01 0.12 -0.97 121.20 121.85 3gbe s ILE 539 Ca 0.00 1.15 -0.19 0.00 0.00 0.00 0.00 60.65 61.61 3gbe s ILE 539 Cb 0.02 -3.89 -0.16 0.00 0.01 0.00 0.00 42.46 38.44 3gbe s ILE 539 CO -0.08 0.43 0.13 1.21 0.00 0.00 0.00 174.94 176.63 3gbe n GLU 540 N 2.73 0.55 -3.48 2.79 2.13 0.31 0.68 120.64 126.34 3gbe n GLU 540 Ca -0.08 0.56 -0.14 0.00 0.66 0.00 0.00 57.16 58.16 3gbe n GLU 540 Cb 0.51 -1.73 -0.04 0.00 0.27 0.00 0.00 31.44 30.45 3gbe n GLU 540 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3gbe s LYS 541 N -2.35 1.16 0.16 5.31 -2.85 -1.03 -4.40 119.74 115.75 3gbe s LYS 541 Ca -0.27 -0.18 -0.30 0.00 -1.00 0.00 0.00 55.97 54.22 3gbe s LYS 541 Cb 0.06 0.54 -0.07 0.00 -2.06 0.00 0.00 37.83 36.29 3gbe s LYS 541 CO 0.53 -0.45 1.00 0.08 0.10 0.00 0.00 175.35 176.61 3gbe s VAL 542 N -2.63 4.20 -0.24 1.79 1.01 -1.26 -0.78 120.40 122.49 3gbe s VAL 542 Ca -0.04 1.94 -0.12 0.00 0.00 0.00 0.00 61.98 63.76 3gbe s VAL 542 Cb -0.01 -4.24 -0.16 0.00 0.00 0.00 0.00 36.38 31.97 3gbe s VAL 542 CO -0.03 0.35 -0.11 -0.38 0.00 0.00 0.00 175.10 174.93 3gbe n ILE 543 N 2.31 1.55 -3.50 2.22 2.08 0.19 -4.87 119.36 119.34 3gbe n ILE 543 Ca 0.01 -0.36 -0.12 0.00 0.56 0.00 0.00 62.75 62.84 3gbe n ILE 543 Cb 0.48 -1.82 -0.04 0.00 -0.75 0.00 0.00 39.64 37.51 3gbe n ILE 543 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3gbe s ILE 544 N -2.48 0.00 0.22 1.39 2.07 -1.01 -4.99 121.20 116.40 3gbe s ILE 544 Ca -0.34 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 58.76 3gbe s ILE 544 Cb 0.11 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.71 3gbe s ILE 544 CO 0.57 0.00 0.48 1.51 -1.91 0.00 0.00 174.94 175.59 3gbe s ASP 545 N -1.93 -0.15 -0.04 4.50 1.47 -1.26 -0.54 116.67 118.71 3gbe s ASP 545 Ca -0.02 -0.72 -0.05 0.00 1.18 0.00 0.00 52.55 52.94 3gbe s ASP 545 Cb -0.01 0.57 0.01 0.00 -0.34 0.00 0.00 42.92 43.15 3gbe s ASP 545 CO -0.03 -1.08 0.13 -0.94 0.68 0.00 0.00 175.17 173.93 3gbe s SER 546 N -2.95 -0.11 -1.33 2.11 1.04 0.23 -4.86 113.70 107.83 3gbe s SER 546 Ca 0.15 0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.78 3gbe s SER 546 Cb -0.01 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3gbe s SER 546 CO 0.03 -0.09 0.02 -3.20 0.98 0.00 0.00 173.24 170.98 3gbe n ASN 547 N 2.79 -4.71 -3.83 7.02 4.05 -1.26 -2.20 115.26 117.12 3gbe n ASN 547 Ca -0.14 -0.02 -0.13 0.00 0.45 0.00 0.00 54.58 54.74 3gbe n ASN 547 Cb 0.59 -3.82 -0.15 0.00 1.23 0.00 0.00 39.78 37.63 3gbe n ASN 547 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 3gbe s SER 548 N -2.31 0.01 0.00 1.20 0.15 -1.26 -4.67 113.70 106.82 3gbe s SER 548 Ca 0.01 0.04 0.12 0.00 0.70 0.00 0.00 55.95 56.82 3gbe s SER 548 Cb -0.00 0.00 -0.13 0.00 -1.71 0.00 0.00 66.02 64.18 3gbe s SER 548 CO 0.01 -0.05 0.52 0.29 1.20 0.00 0.00 173.24 175.21 3gbe n LYS 549 N 3.50 2.95 -1.82 5.44 4.01 -1.26 -5.02 118.16 125.96 3gbe n LYS 549 Ca -0.18 -0.02 -0.41 0.00 -0.51 0.00 0.00 58.31 57.19 3gbe n LYS 549 Cb 0.56 -1.08 -0.01 0.00 -0.51 0.00 0.00 35.03 33.99 3gbe n LYS 549 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3gbe s ASN 550 N -2.14 6.41 -0.09 4.39 0.01 -1.26 -4.98 114.94 117.29 3gbe s ASN 550 Ca 0.05 2.93 -0.26 0.00 -0.71 0.00 0.00 52.86 54.87 3gbe s ASN 550 Cb 0.09 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 3gbe s ASN 550 CO 0.50 -0.87 0.84 -0.69 -1.51 0.00 0.00 177.10 175.37 3gbe s VAL 551 N -0.29 4.92 -0.16 1.60 1.01 -1.26 -5.05 120.40 121.17 3gbe s VAL 551 Ca 0.60 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 64.29 3gbe s VAL 551 Cb -0.47 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 31.73 3gbe s VAL 551 CO 0.51 0.13 -0.11 -0.69 0.00 0.00 0.00 175.10 174.94 3gbe s VAL 552 N 1.40 3.10 0.34 2.92 1.01 -1.26 -5.03 120.40 122.87 3gbe s VAL 552 Ca 0.42 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.87 3gbe s VAL 552 Cb -0.18 -2.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 3gbe s VAL 552 CO 0.19 0.50 -0.08 -1.59 0.00 0.00 0.00 175.10 174.11 3gbe s LYS 553 N 0.74 1.80 -0.01 2.72 -2.85 -1.26 -4.85 119.74 116.03 3gbe s LYS 553 Ca -0.05 -1.94 -0.39 0.00 -1.00 0.00 0.00 55.97 52.59 3gbe s LYS 553 Cb -0.15 -1.62 -0.19 0.00 -2.06 0.00 0.00 37.83 33.81 3gbe s LYS 553 CO 0.02 0.11 1.24 1.17 0.10 0.00 0.00 175.35 177.98 3gbe n LYS 554 N -0.78 0.50 -0.96 1.78 0.00 -1.26 -1.11 118.16 116.32 3gbe n LYS 554 Ca -0.05 0.18 0.00 0.00 0.00 0.00 0.00 58.31 58.44 3gbe n LYS 554 Cb 0.64 -1.75 0.00 0.00 0.00 0.00 0.00 35.03 33.92 3gbe n LYS 554 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3gbe n ASN 555 N 2.24 -0.93 -4.76 3.14 3.02 0.21 -4.99 115.26 113.19 3gbe n ASN 555 Ca 0.20 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.36 3gbe n ASN 555 Cb 0.12 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 38.85 3gbe n ASN 555 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gbe s ASP 556 N -2.63 5.86 0.00 6.41 -0.00 -0.27 -4.49 116.67 121.55 3gbe s ASP 556 Ca 0.00 2.87 0.00 0.00 -0.00 0.00 0.00 52.55 55.42 3gbe s ASP 556 Cb 0.00 -2.65 0.00 0.00 -0.00 0.00 0.00 42.92 40.27 3gbe s ASP 556 CO 0.00 -1.18 0.69 -1.54 -0.00 0.00 0.00 175.17 173.14 3gbe n SER 557 N -0.24 1.14 -3.84 0.27 3.41 -1.26 -0.70 113.62 112.39 3gbe n SER 557 Ca 0.05 -1.48 -0.19 0.00 -0.26 0.00 0.00 58.87 56.99 3gbe n SER 557 Cb 0.42 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.21 3gbe n SER 557 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gbe s LEU 558 N -0.48 1.12 -0.14 1.04 0.20 -1.26 0.01 118.68 119.18 3gbe s LEU 558 Ca 0.00 -0.08 -0.05 0.00 0.69 0.00 0.00 54.13 54.69 3gbe s LEU 558 Cb 0.00 -0.37 -0.04 0.00 -0.43 0.00 0.00 46.19 45.36 3gbe s LEU 558 CO 0.00 -0.10 0.04 -0.76 -0.29 0.00 0.00 176.35 175.24 3gbe s LEU 559 N 1.17 3.74 -0.38 -0.68 1.43 0.01 -4.94 118.68 119.03 3gbe s LEU 559 Ca -0.07 0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 53.02 3gbe s LEU 559 Cb -0.14 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3gbe s LEU 559 CO -0.02 0.28 0.27 -0.70 0.23 0.00 0.00 176.35 176.42 3gbe s GLU 560 N -0.28 3.20 -0.24 1.70 2.12 -1.26 -0.53 118.70 123.41 3gbe s GLU 560 Ca 0.07 -0.86 -0.09 0.00 0.36 0.00 0.00 54.97 54.46 3gbe s GLU 560 Cb -0.12 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 3gbe s GLU 560 CO 0.02 -0.62 0.11 -0.51 -0.54 0.00 0.00 175.26 173.72 3gbe s LEU 561 N 1.70 3.77 0.82 2.70 1.43 0.18 -4.91 118.68 124.36 3gbe s LEU 561 Ca 0.05 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 3gbe s LEU 561 Cb -0.18 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.11 3gbe s LEU 561 CO 0.10 0.03 1.10 -0.54 0.23 0.00 0.00 176.35 177.27 3gbe s LYS 562 N 1.27 1.93 0.22 1.70 1.02 -1.26 -0.58 119.74 124.03 3gbe s LYS 562 Ca 0.06 0.57 -0.32 0.00 0.02 0.00 0.00 55.97 56.30 3gbe s LYS 562 Cb -0.14 -1.91 -0.14 0.00 -0.52 0.00 0.00 37.83 35.12 3gbe s LYS 562 CO 0.05 -1.72 1.43 -2.30 -0.92 0.00 0.00 175.35 171.89 3gbe n PRO 563 N -3.49 1.98 -1.38 -1.68 -0.02 -1.26 -1.24 135.00 127.92 3gbe n PRO 563 Ca 0.07 0.71 -0.14 0.00 -2.02 0.00 0.00 63.50 62.12 3gbe n PRO 563 Cb 0.57 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3gbe n PRO 563 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3gbe n TRP 564 N 2.20 -0.04 -2.24 6.00 7.02 -0.95 -4.95 117.44 124.48 3gbe n TRP 564 Ca 0.13 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.23 3gbe n TRP 564 Cb 0.30 -2.90 -0.01 0.00 -2.42 0.00 0.00 31.31 26.28 3gbe n TRP 564 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 3gbe s GLN 565 N -3.11 3.87 0.05 -0.99 0.74 -0.37 -4.64 119.66 115.21 3gbe s GLN 565 Ca 0.00 1.84 -0.01 0.00 0.05 0.00 0.00 55.36 57.24 3gbe s GLN 565 Cb 0.00 -2.53 -0.04 0.00 1.10 0.00 0.00 33.01 31.54 3gbe s GLN 565 CO 0.00 -0.47 -0.04 -1.54 -0.55 0.00 0.00 175.29 172.69 3gbe s SER 566 N -1.22 0.57 -0.01 6.67 1.04 -0.94 -0.72 113.70 119.10 3gbe s SER 566 Ca 0.61 -0.97 -0.29 0.00 0.48 0.00 0.00 55.95 55.77 3gbe s SER 566 Cb -0.30 0.18 0.10 0.00 0.10 0.00 0.00 66.02 66.10 3gbe s SER 566 CO 0.38 -0.57 1.00 -0.83 0.98 0.00 0.00 173.24 174.20 3gbe s GLY 567 N -2.86 -0.38 -0.06 7.32 0.00 -0.30 -0.60 107.32 110.45 3gbe s GLY 567 Ca 0.06 0.90 0.03 0.00 0.00 0.00 0.00 44.72 45.72 3gbe s GLY 567 CO -0.09 0.28 -0.13 0.14 0.00 0.00 0.00 173.10 173.30 3gbe s VAL 568 N -2.96 1.20 0.03 1.40 1.01 0.30 -1.50 120.40 119.88 3gbe s VAL 568 Ca 0.08 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3gbe s VAL 568 Cb -0.01 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3gbe s VAL 568 CO -0.05 0.36 -0.12 -0.31 0.00 0.00 0.00 175.10 174.98 3gbe s TYR 569 N 0.47 1.09 -0.05 5.22 1.51 0.47 -0.64 117.35 125.43 3gbe s TYR 569 Ca -0.11 -0.31 -0.19 0.00 -1.01 0.00 0.00 57.07 55.45 3gbe s TYR 569 Cb -0.14 -0.66 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 3gbe s TYR 569 CO 0.03 0.01 0.52 0.21 -1.11 0.00 0.00 175.55 175.22 3gbe s LYS 570 N -0.91 4.27 0.23 -0.62 2.20 0.04 0.18 119.74 125.14 3gbe s LYS 570 Ca 0.01 0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 56.16 3gbe s LYS 570 Cb -0.07 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 3gbe s LYS 570 CO 0.01 0.32 0.47 -0.51 -0.36 0.00 0.00 175.35 175.28 3gbe s LEU 571 N 0.03 4.16 0.75 5.43 1.43 0.06 -0.53 118.68 130.00 3gbe s LEU 571 Ca 0.28 0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.86 3gbe s LEU 571 Cb -0.17 -3.39 0.05 0.00 0.03 0.00 0.00 46.19 42.71 3gbe s LEU 571 CO 0.14 -0.09 1.13 0.20 0.23 0.00 0.00 176.35 177.95 3gbe s ASN 572 N -2.97 4.42 0.00 2.29 0.02 -0.14 -4.60 114.94 113.96 3gbe s ASN 572 Ca 0.42 2.04 0.00 0.00 -1.02 0.00 0.00 52.86 54.30 3gbe s ASN 572 Cb -0.11 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.61 3gbe s ASN 572 CO 0.28 -2.10 0.00 0.00 0.02 0.00 0.00 177.10 175.30