#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koy n GLN 6 N 0.00 0.00 -1.88 1.96 7.27 -1.26 -5.09 117.38 118.39 3koy n GLN 6 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3koy n GLN 6 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3koy n GLN 6 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3koy n LEU 7 N 0.00 -5.57 -3.75 1.69 4.77 -1.26 -5.00 117.00 107.88 3koy n LEU 7 Ca 0.00 2.83 -0.15 0.00 -0.03 0.00 0.00 56.01 58.66 3koy n LEU 7 Cb 0.00 -2.87 -0.15 0.00 -2.33 0.00 0.00 43.42 38.06 3koy n LEU 7 CO 0.00 -1.58 -0.29 -0.13 -1.33 0.00 0.00 177.39 174.06 3koy s ARG 8 N -0.95 0.02 0.63 3.23 0.52 -1.26 -5.02 118.95 116.12 3koy s ARG 8 Ca 0.00 0.30 0.36 0.00 -0.52 0.00 0.00 55.73 55.87 3koy s ARG 8 Cb 0.00 -0.23 2.02 0.00 0.52 0.00 0.00 34.95 37.26 3koy s ARG 8 CO 0.00 -0.18 2.24 -0.39 0.02 0.00 0.00 175.30 176.99 3koy h VAL 9 N 6.20 0.24 -0.01 3.52 -1.51 -2.00 0.91 116.25 123.61 3koy h VAL 9 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 3koy h VAL 9 Cb 1.13 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3koy h VAL 9 CO 0.43 0.00 -0.52 -0.46 -1.23 0.00 0.00 177.57 175.79 3koy n ASN 10 N -3.42 1.75 -4.50 4.19 6.94 -1.26 -4.90 115.26 114.05 3koy n ASN 10 Ca -0.02 -1.37 -0.34 0.00 -0.02 0.00 0.00 54.58 52.83 3koy n ASN 10 Cb 0.16 0.57 -0.12 0.00 -2.36 0.00 0.00 39.78 38.02 3koy n ASN 10 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3koy s GLU 11 N -2.40 3.27 0.76 -3.83 2.12 0.31 -5.11 118.70 113.83 3koy s GLU 11 Ca 0.15 -0.57 -0.14 0.00 0.36 0.00 0.00 54.97 54.77 3koy s GLU 11 Cb 0.16 -2.73 0.06 0.00 0.26 0.00 0.00 34.13 31.88 3koy s GLU 11 CO 0.57 0.39 1.22 0.15 -0.54 0.00 0.00 175.26 177.06 3koy s LYS 12 N -0.07 1.89 0.18 4.30 1.02 -1.26 -4.43 119.74 121.37 3koy s LYS 12 Ca 0.00 1.82 -0.32 0.00 0.02 0.00 0.00 55.97 57.50 3koy s LYS 12 Cb -0.13 -1.80 -0.11 0.00 -0.52 0.00 0.00 37.83 35.27 3koy s LYS 12 CO 0.03 -2.04 1.65 -0.51 -0.92 0.00 0.00 175.35 173.56 3koy s LEU 13 N -5.36 4.37 -0.93 3.17 1.43 -1.26 -4.91 118.68 115.19 3koy s LEU 13 Ca 0.75 2.74 -0.22 0.00 -1.03 0.00 0.00 54.13 56.38 3koy s LEU 13 Cb -0.31 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.40 3koy s LEU 13 CO 0.48 -0.90 1.28 -0.62 0.23 0.00 0.00 176.35 176.81 3koy s ASP 14 N 1.21 6.48 0.07 2.29 -1.08 -1.26 -4.84 116.67 119.54 3koy s ASP 14 Ca 0.73 -1.51 -0.20 0.00 -0.52 0.00 0.00 52.55 51.04 3koy s ASP 14 Cb -0.47 -2.50 -0.11 0.00 -1.46 0.00 0.00 42.92 38.39 3koy s ASP 14 CO 0.32 -1.38 1.48 1.62 0.52 0.00 0.00 175.17 177.72 3koy h VAL 15 N 6.32 1.27 -0.68 1.11 3.04 -1.95 -1.50 116.25 123.87 3koy h VAL 15 Ca 0.10 -0.94 0.14 0.00 -1.01 0.00 0.00 66.70 64.99 3koy h VAL 15 Cb 1.02 1.51 -0.11 0.00 -2.01 0.00 0.00 31.29 31.71 3koy h VAL 15 CO 1.28 0.28 0.09 -0.33 -1.01 0.00 0.00 177.57 177.89 3koy h GLU 16 N 0.09 0.19 0.00 4.17 5.08 -1.98 0.32 114.58 122.44 3koy h GLU 16 Ca 0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3koy h GLU 16 Cb 0.44 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3koy h GLU 16 CO 0.01 0.12 -0.05 -0.97 -1.00 0.00 0.00 179.01 177.12 3koy h ASN 17 N 0.19 0.00 0.26 1.42 -1.24 -1.84 -2.86 115.58 111.51 3koy h ASN 17 Ca 0.37 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 57.06 3koy h ASN 17 Cb 0.62 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.70 3koy h ASN 17 CO -0.52 0.05 -1.37 0.40 -1.29 0.00 0.00 177.43 174.70 3koy h ILE 18 N 0.00 1.31 0.00 2.57 2.04 0.62 -3.17 117.51 120.87 3koy h ILE 18 Ca -0.00 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.20 3koy h ILE 18 Cb 0.18 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3koy h ILE 18 CO 0.01 0.80 0.00 -0.07 0.00 0.00 0.00 178.15 178.88 3koy h LEU 19 N 0.19 0.00 -9.93 1.44 3.38 -1.05 -3.43 115.31 105.90 3koy h LEU 19 Ca -0.22 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.26 3koy h LEU 19 Cb 2.06 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.84 3koy h LEU 19 CO 0.26 0.00 0.45 -0.54 0.09 0.00 0.00 178.44 178.70 3koy s LYS 20 N -3.60 4.22 -1.94 1.13 1.02 -1.20 -3.99 119.74 115.37 3koy s LYS 20 Ca -0.02 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.64 3koy s LYS 20 Cb 0.07 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 3koy s LYS 20 CO 0.25 -0.13 0.00 -0.25 -0.92 0.00 0.00 175.35 174.29 3koy n ASP 21 N 0.21 -5.56 -0.17 2.83 9.92 -1.26 -4.85 116.55 117.67 3koy n ASP 21 Ca 0.04 0.26 0.03 0.00 -0.53 0.00 0.00 54.79 54.59 3koy n ASP 21 Cb 0.48 -4.72 0.31 0.00 -0.64 0.00 0.00 41.12 36.55 3koy n ASP 21 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3koy h LEU 22 N 0.00 0.73 0.00 0.64 3.38 -1.84 -0.51 115.31 117.71 3koy h LEU 22 Ca -0.44 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3koy h LEU 22 Cb 1.33 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3koy h LEU 22 CO 0.58 0.50 0.00 -0.90 0.09 0.00 0.00 178.44 178.72 3koy n ASP 23 N -4.45 0.00 0.00 -0.43 5.75 -1.26 -1.62 116.55 114.53 3koy n ASP 23 Ca 0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 3koy n ASP 23 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3koy n ASP 23 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3koy n LYS 24 N -0.99 0.93 -3.19 0.11 4.76 -0.20 -5.03 118.16 114.55 3koy n LYS 24 Ca 0.01 -0.88 -0.39 0.00 -2.87 0.00 0.00 58.31 54.18 3koy n LYS 24 Cb 0.01 -0.89 -0.06 0.00 -1.84 0.00 0.00 35.03 32.25 3koy n LYS 24 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3koy s TYR 25 N -0.43 3.68 0.24 2.13 5.04 -0.64 -5.09 117.35 122.29 3koy s TYR 25 Ca 0.00 1.22 0.11 0.00 -2.44 0.00 0.00 57.07 55.96 3koy s TYR 25 Cb 0.00 -2.63 -0.05 0.00 0.35 0.00 0.00 41.96 39.63 3koy s TYR 25 CO 0.00 0.34 -0.20 0.95 -1.34 0.00 0.00 175.55 175.30 3koy s THR 26 N -0.14 2.54 0.63 4.34 -4.23 -1.26 -5.11 115.64 112.41 3koy s THR 26 Ca 0.32 -2.21 -0.13 0.00 -1.18 0.00 0.00 61.69 58.49 3koy s THR 26 Cb -0.18 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 3koy s THR 26 CO 0.18 -0.29 1.04 -2.16 -0.54 0.00 0.00 174.62 172.85 3koy s PRO 27 N -3.20 3.29 -0.09 3.99 0.04 -1.26 -5.00 135.00 132.78 3koy s PRO 27 Ca 0.27 0.98 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 3koy s PRO 27 Cb -0.06 -2.04 -0.28 0.00 0.04 0.00 0.00 34.50 32.16 3koy s PRO 27 CO 0.14 -0.82 0.62 0.87 0.04 0.00 0.00 177.00 177.85 3koy h LYS 28 N -0.13 0.28 -6.35 4.56 1.57 -1.97 -3.48 116.57 111.05 3koy h LYS 28 Ca -0.45 -0.48 -0.65 0.00 -1.87 0.00 0.00 60.65 57.20 3koy h LYS 28 Cb 1.21 0.18 -0.12 0.00 0.08 0.00 0.00 32.23 33.58 3koy h LYS 28 CO 0.59 1.23 -0.66 1.03 -0.57 0.00 0.00 179.45 181.06 3koy s ARG 29 N -2.49 2.54 -0.04 3.15 0.52 -1.26 -5.12 118.95 116.24 3koy s ARG 29 Ca -0.18 -0.85 0.05 0.00 -0.52 0.00 0.00 55.73 54.23 3koy s ARG 29 Cb 0.04 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 3koy s ARG 29 CO 0.79 0.54 -0.20 1.03 0.02 0.00 0.00 175.30 177.48 3koy s ARG 30 N -2.34 2.37 0.00 3.54 1.81 -1.26 -4.74 118.95 118.33 3koy s ARG 30 Ca 0.26 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.46 3koy s ARG 30 Cb -0.12 -2.23 0.00 0.00 -0.45 0.00 0.00 34.95 32.15 3koy s ARG 30 CO 0.18 0.57 0.00 0.41 -0.68 0.00 0.00 175.30 175.78 3koy n GLY 31 N 2.44 0.69 3.81 -3.53 0.00 -1.24 -4.99 105.19 102.38 3koy n GLY 31 Ca -0.17 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 3koy n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3koy s TRP 32 N -1.96 3.19 -0.06 1.61 -0.11 -0.96 -4.68 118.94 115.97 3koy s TRP 32 Ca 0.00 1.58 0.02 0.00 1.22 0.00 0.00 56.10 58.92 3koy s TRP 32 Cb 0.00 -2.93 0.01 0.00 -1.50 0.00 0.00 33.47 29.05 3koy s TRP 32 CO 0.00 -0.47 -0.13 0.95 -4.62 0.00 0.00 176.95 172.68 3koy s THR 33 N -2.17 1.16 0.64 5.86 -4.23 -1.26 -5.03 115.64 110.61 3koy s THR 33 Ca 0.64 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 3koy s THR 33 Cb -0.12 -1.05 0.06 0.00 1.34 0.00 0.00 72.50 72.73 3koy s THR 33 CO 0.19 0.36 0.91 0.26 -0.54 0.00 0.00 174.62 175.80 3koy s TRP 34 N 0.59 2.67 0.40 3.99 0.52 -1.26 -4.93 118.94 120.92 3koy s TRP 34 Ca -0.13 0.12 -0.13 0.00 0.02 0.00 0.00 56.10 55.98 3koy s TRP 34 Cb -0.15 -2.98 -0.08 0.00 -1.15 0.00 0.00 33.47 29.11 3koy s TRP 34 CO 0.04 -1.23 0.81 1.03 0.02 0.00 0.00 176.95 177.61 3koy s ARG 35 N -5.02 3.90 -0.36 4.98 0.52 -1.26 -5.03 118.95 116.68 3koy s ARG 35 Ca 0.60 0.65 -0.21 0.00 -0.52 0.00 0.00 55.73 56.24 3koy s ARG 35 Cb -0.10 -2.35 0.01 0.00 0.52 0.00 0.00 34.95 33.03 3koy s ARG 35 CO 0.42 -0.02 0.68 -0.65 0.02 0.00 0.00 175.30 175.75 3koy s GLN 36 N -3.60 3.70 0.31 3.54 -1.52 -1.26 -5.01 119.66 115.82 3koy s GLN 36 Ca 0.54 0.13 -0.29 0.00 -1.95 0.00 0.00 55.36 53.79 3koy s GLN 36 Cb -0.10 -3.81 -0.12 0.00 -0.22 0.00 0.00 33.01 28.75 3koy s GLN 36 CO 0.26 -0.78 1.36 -2.30 -0.25 0.00 0.00 175.29 173.58 3koy n PRO 37 N 6.17 2.18 -3.97 2.91 -0.02 -1.26 -1.40 135.00 139.61 3koy n PRO 37 Ca 0.00 0.77 -0.31 0.00 -2.02 0.00 0.00 63.50 61.94 3koy n PRO 37 Cb 0.48 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 3koy n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3koy s ALA 38 N -0.73 3.07 0.39 3.55 0.00 0.15 -4.65 121.76 123.53 3koy s ALA 38 Ca 0.59 -2.78 -0.25 0.00 0.00 0.00 0.00 51.96 49.52 3koy s ALA 38 Cb -0.58 -2.09 -0.09 0.00 0.00 0.00 0.00 23.12 20.37 3koy s ALA 38 CO 0.58 -1.81 1.08 -2.00 0.00 0.00 0.00 175.76 173.61 3koy s GLU 39 N 0.53 4.19 -1.44 0.00 2.12 -1.26 -3.52 118.70 119.31 3koy s GLU 39 Ca 0.13 1.62 -0.07 0.00 0.36 0.00 0.00 54.97 57.01 3koy s GLU 39 Cb -0.21 -2.65 0.07 0.00 0.26 0.00 0.00 34.13 31.60 3koy s GLU 39 CO -0.05 -0.14 0.18 0.09 -0.54 0.00 0.00 175.26 174.79 3koy n ASN 40 N 0.11 0.01 -4.75 -1.70 3.02 -1.21 -4.87 115.26 105.88 3koy n ASN 40 Ca 0.04 -1.10 -0.40 0.00 -0.03 0.00 0.00 54.58 53.09 3koy n ASN 40 Cb 0.48 -1.38 -0.05 0.00 -0.61 0.00 0.00 39.78 38.22 3koy n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3koy s LEU 41 N -6.68 4.57 -0.15 3.41 2.96 -1.10 -4.67 118.68 117.02 3koy s LEU 41 Ca 0.25 2.04 -0.14 0.00 -0.22 0.00 0.00 54.13 56.06 3koy s LEU 41 Cb -0.14 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 3koy s LEU 41 CO 0.88 -0.04 0.31 -1.58 -1.32 0.00 0.00 176.35 174.60 3koy s GLN 42 N -0.91 4.21 -0.08 1.98 2.00 -1.26 -0.53 119.66 125.07 3koy s GLN 42 Ca 0.45 0.13 -0.03 0.00 -2.00 0.00 0.00 55.36 53.90 3koy s GLN 42 Cb -0.28 -3.40 0.05 0.00 0.80 0.00 0.00 33.01 30.17 3koy s GLN 42 CO 0.35 0.28 0.17 -1.64 -0.50 0.00 0.00 175.29 173.95 3koy s MET 43 N 0.33 0.08 2.80 1.67 -1.94 -0.57 -5.03 119.30 116.64 3koy s MET 43 Ca 0.17 0.50 0.00 0.00 -1.71 0.00 0.00 55.69 54.66 3koy s MET 43 Cb -0.13 -0.21 0.00 0.00 2.01 0.00 0.00 34.83 36.50 3koy s MET 43 CO 0.05 -0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 3koy n GLY 44 N 4.83 2.43 0.25 -0.03 0.00 -1.26 -1.52 105.19 109.89 3koy n GLY 44 Ca -0.14 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 45.85 3koy n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3koy h PRO 45 N 0.00 0.00 -6.23 1.61 0.11 -1.99 -3.47 132.00 122.04 3koy h PRO 45 Ca 0.00 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.63 3koy h PRO 45 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3koy h PRO 45 CO 0.00 0.00 -0.42 -0.06 -0.21 0.00 0.00 178.00 177.31 3koy s PHE 46 N -3.56 2.99 -0.05 0.65 0.08 -0.58 -5.12 117.98 112.38 3koy s PHE 46 Ca 0.02 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 56.87 3koy s PHE 46 Cb 0.09 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.70 3koy s PHE 46 CO 0.54 0.15 -0.25 0.42 -0.10 0.00 0.00 175.22 175.98 3koy s ILE 47 N -2.25 2.01 -0.26 0.64 1.01 -1.26 -1.51 121.20 119.57 3koy s ILE 47 Ca 0.41 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 3koy s ILE 47 Cb -0.07 -1.70 0.03 0.00 0.01 0.00 0.00 42.46 40.73 3koy s ILE 47 CO 0.28 0.56 -0.04 -0.31 0.00 0.00 0.00 174.94 175.42 3koy s TYR 48 N -0.19 3.09 0.20 3.97 2.02 0.32 -4.95 117.35 121.81 3koy s TYR 48 Ca -0.02 -1.54 -0.07 0.00 -0.37 0.00 0.00 57.07 55.07 3koy s TYR 48 Cb -0.13 -2.08 0.13 0.00 -0.40 0.00 0.00 41.96 39.48 3koy s TYR 48 CO 0.03 -0.72 1.65 0.87 -1.57 0.00 0.00 175.55 175.81 3koy h LYS 49 N 8.03 0.98 -0.49 -0.62 6.56 -1.89 -2.91 116.57 126.23 3koy h LYS 49 Ca -0.31 -0.32 -0.36 0.00 -1.06 0.00 0.00 60.65 58.59 3koy h LYS 49 Cb 1.10 -0.08 -0.29 0.00 -0.57 0.00 0.00 32.23 32.39 3koy h LYS 49 CO 0.57 1.00 -0.73 -0.25 -2.06 0.00 0.00 179.45 177.98 3koy n ASP 50 N -4.17 3.76 -4.94 0.86 8.00 -1.26 -4.53 116.55 114.26 3koy n ASP 50 Ca 0.02 -3.72 -0.26 0.00 0.71 0.00 0.00 54.79 51.53 3koy n ASP 50 Cb 0.36 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 3koy n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koy s ALA 51 N -3.44 3.97 0.51 2.24 0.00 -1.26 -3.48 121.76 120.30 3koy s ALA 51 Ca 0.46 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.48 3koy s ALA 51 Cb 0.39 -1.79 0.07 0.00 0.00 0.00 0.00 23.12 21.79 3koy s ALA 51 CO -0.00 0.56 0.56 -1.13 0.00 0.00 0.00 175.76 175.75 3koy n SER 52 N -0.50 2.19 -4.67 0.00 3.41 0.83 0.30 113.62 115.19 3koy n SER 52 Ca -0.07 -2.51 -0.44 0.00 -0.26 0.00 0.00 58.87 55.58 3koy n SER 52 Cb 0.54 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 3koy n SER 52 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3koy n THR 53 N -1.92 1.26 -1.82 6.66 -1.04 -0.49 -4.43 114.28 112.51 3koy n THR 53 Ca 0.07 -0.32 -0.31 0.00 -2.04 0.00 0.00 64.05 61.46 3koy n THR 53 Cb 0.55 -1.44 0.02 0.00 -1.82 0.00 0.00 70.33 67.64 3koy n THR 53 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3koy s PRO 54 N -0.83 3.46 0.55 -2.82 0.02 -1.26 -4.72 135.00 129.39 3koy s PRO 54 Ca 0.65 0.80 -0.15 0.00 0.02 0.00 0.00 61.00 62.32 3koy s PRO 54 Cb -0.64 -2.06 -0.07 0.00 0.02 0.00 0.00 34.50 31.75 3koy s PRO 54 CO 0.53 -0.68 1.00 -0.51 -0.33 0.00 0.00 177.00 177.01 3koy s LEU 55 N -5.23 3.50 0.01 -5.54 1.43 -1.26 -4.99 118.68 106.59 3koy s LEU 55 Ca 0.56 1.53 -0.13 0.00 -1.03 0.00 0.00 54.13 55.06 3koy s LEU 55 Cb -0.12 -4.50 -0.34 0.00 0.03 0.00 0.00 46.19 41.27 3koy s LEU 55 CO 0.54 -0.69 0.91 -0.33 0.23 0.00 0.00 176.35 177.01 3koy h GLU 56 N 0.53 0.47 -4.72 1.70 5.08 -1.29 -3.44 114.58 112.92 3koy h GLU 56 Ca -0.46 -0.81 -0.57 0.00 -1.00 0.00 0.00 59.36 56.52 3koy h GLU 56 Cb 1.19 0.30 -0.34 0.00 0.50 0.00 0.00 28.75 30.39 3koy h GLU 56 CO 0.62 1.38 -0.83 -0.80 -1.00 0.00 0.00 179.01 178.37 3koy s ASN 57 N -7.45 2.33 0.19 1.42 0.01 -1.12 -5.06 114.94 105.26 3koy s ASN 57 Ca -0.11 -0.40 -0.21 0.00 -0.71 0.00 0.00 52.86 51.43 3koy s ASN 57 Cb 0.05 -1.04 0.05 0.00 0.41 0.00 0.00 41.25 40.71 3koy s ASN 57 CO 0.91 0.02 0.59 -0.94 -1.51 0.00 0.00 177.10 176.18 3koy s SER 58 N 0.91 -0.43 -0.29 -1.22 1.04 -1.26 -4.55 113.70 107.89 3koy s SER 58 Ca -0.09 -0.23 -0.15 0.00 0.48 0.00 0.00 55.95 55.97 3koy s SER 58 Cb -0.15 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 3koy s SER 58 CO 0.00 -1.05 0.37 -0.69 0.98 0.00 0.00 173.24 172.85 3koy s VAL 59 N -3.81 5.17 0.64 5.02 1.01 -0.36 -5.05 120.40 123.03 3koy s VAL 59 Ca 0.05 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.33 3koy s VAL 59 Cb -0.02 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 3koy s VAL 59 CO -0.07 0.07 1.01 0.00 0.00 0.00 0.00 175.10 176.11 3koy s ALA 60 N 2.06 3.08 0.43 5.51 0.00 -1.26 -4.65 121.76 126.92 3koy s ALA 60 Ca 0.14 -0.39 -0.25 0.00 0.00 0.00 0.00 51.96 51.46 3koy s ALA 60 Cb -0.16 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 3koy s ALA 60 CO 0.11 -0.89 1.19 1.28 0.00 0.00 0.00 175.76 177.44 3koy n LEU 61 N -2.79 3.65 -0.34 0.00 4.77 -1.26 -4.88 117.00 116.15 3koy n LEU 61 Ca 0.06 1.08 -0.12 0.00 -0.03 0.00 0.00 56.01 56.99 3koy n LEU 61 Cb 0.56 -1.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 3koy n LEU 61 CO 0.56 -0.92 0.48 -0.65 -1.33 0.00 0.00 177.39 175.54 3koy h PRO 62 N 1.87 -0.11 0.00 3.23 0.11 -2.00 0.10 132.00 135.20 3koy h PRO 62 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3koy h PRO 62 Cb 1.31 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3koy h PRO 62 CO 0.59 -0.07 0.00 0.43 -0.21 0.00 0.00 178.00 178.74 3koy n SER 63 N -5.28 0.00 0.14 -2.05 7.64 -1.26 -1.38 113.62 111.43 3koy n SER 63 Ca 0.00 0.36 0.18 0.00 1.01 0.00 0.00 58.87 60.42 3koy n SER 63 Cb 0.28 -0.39 0.77 0.00 -1.01 0.00 0.00 64.21 63.86 3koy n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3koy h ALA 64 N 2.19 2.03 -0.69 -0.43 0.00 -1.11 -1.31 119.26 119.94 3koy h ALA 64 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.09 3koy h ALA 64 Cb 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3koy h ALA 64 CO 0.00 -0.42 0.49 1.57 0.00 0.00 0.00 179.25 180.89 3koy h LYS 65 N 0.00 0.07 0.00 0.00 2.10 -1.38 0.41 116.57 117.78 3koy h LYS 65 Ca 0.14 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 3koy h LYS 65 Cb 0.68 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 3koy h LYS 65 CO -0.00 0.05 0.00 0.66 -2.00 0.00 0.00 179.45 178.16 3koy n TYR 66 N -4.37 0.00 -2.51 0.07 4.01 -0.49 -3.93 117.16 109.94 3koy n TYR 66 Ca 0.13 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.70 3koy n TYR 66 Cb 0.71 -0.46 0.02 0.00 -0.31 0.00 0.00 39.34 39.30 3koy n TYR 66 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3koy n PHE 67 N -1.46 2.29 -1.11 -0.72 3.72 0.13 -4.95 117.46 115.36 3koy n PHE 67 Ca 0.08 -2.72 -0.04 0.00 -0.05 0.00 0.00 57.45 54.72 3koy n PHE 67 Cb 0.30 -0.24 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 3koy n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3koy n GLY 68 N -0.41 0.68 2.88 1.37 0.00 -1.19 -3.52 105.19 104.99 3koy n GLY 68 Ca 0.26 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 3koy n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3koy n ASP 69 N 0.64 -4.94 -4.76 1.61 8.00 -0.55 -4.98 116.55 111.57 3koy n ASP 69 Ca -0.04 -0.16 -0.36 0.00 0.71 0.00 0.00 54.79 54.94 3koy n ASP 69 Cb 0.17 -4.07 0.02 0.00 -0.02 0.00 0.00 41.12 37.22 3koy n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3koy s ILE 70 N -2.96 2.74 -0.46 0.53 -4.36 -1.23 -4.84 121.20 110.62 3koy s ILE 70 Ca 0.21 0.49 0.07 0.00 -0.26 0.00 0.00 60.65 61.16 3koy s ILE 70 Cb -0.10 -3.22 0.23 0.00 1.25 0.00 0.00 42.46 40.61 3koy s ILE 70 CO 0.26 -0.06 0.51 -0.67 0.24 0.00 0.00 174.94 175.22 3koy n ASP 71 N -1.20 0.77 -4.66 4.36 2.03 -1.26 -4.71 116.55 111.89 3koy n ASP 71 Ca 0.11 -2.77 -0.43 0.00 0.52 0.00 0.00 54.79 52.22 3koy n ASP 71 Cb 0.49 -0.63 -0.01 0.00 -0.72 0.00 0.00 41.12 40.25 3koy n ASP 71 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3koy n PRO 72 N 1.69 1.81 -4.23 -0.67 -0.02 -1.26 -4.63 135.00 127.69 3koy n PRO 72 Ca 0.24 0.63 -0.33 0.00 -2.02 0.00 0.00 63.50 62.03 3koy n PRO 72 Cb 0.49 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 3koy n PRO 72 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3koy s GLN 73 N -1.80 3.10 1.00 -0.52 -1.52 -1.26 -5.00 119.66 113.66 3koy s GLN 73 Ca 0.57 -0.78 -0.11 0.00 -1.95 0.00 0.00 55.36 53.09 3koy s GLN 73 Cb -0.61 -2.64 0.17 0.00 -0.22 0.00 0.00 33.01 29.72 3koy s GLN 73 CO 0.61 -0.14 0.99 -0.35 -0.25 0.00 0.00 175.29 176.15 3koy n PRO 74 N 4.47 -1.04 -0.09 2.91 -0.04 -1.26 -0.12 135.00 139.84 3koy n PRO 74 Ca -0.20 -0.25 -0.09 0.00 -0.04 0.00 0.00 63.50 62.92 3koy n PRO 74 Cb 0.51 -2.24 0.05 0.00 -0.04 0.00 0.00 33.50 31.78 3koy n PRO 74 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3koy h LEU 75 N -2.09 0.83 -9.78 1.53 3.38 -1.89 -3.39 115.31 103.89 3koy h LEU 75 Ca -0.49 -0.34 -0.51 0.00 0.09 0.00 0.00 57.88 56.64 3koy h LEU 75 Cb 1.29 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 41.83 3koy h LEU 75 CO 0.42 1.07 0.49 -2.84 0.09 0.00 0.00 178.44 177.67 3koy s PRO 76 N -4.47 4.61 0.26 1.13 0.02 -1.26 -4.58 135.00 130.71 3koy s PRO 76 Ca -0.10 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.44 3koy s PRO 76 Cb 0.12 -3.20 -0.10 0.00 0.02 0.00 0.00 34.50 31.34 3koy s PRO 76 CO 0.85 0.16 1.46 0.08 -0.33 0.00 0.00 177.00 179.22 3koy s VAL 77 N -0.97 2.57 -0.16 3.83 1.01 -1.03 -4.75 120.40 120.90 3koy s VAL 77 Ca 0.46 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 3koy s VAL 77 Cb -0.32 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3koy s VAL 77 CO 0.40 0.08 0.00 -0.63 0.00 0.00 0.00 175.10 174.95 3koy s ILE 78 N -0.04 4.25 -0.09 2.22 -1.09 -1.26 -0.41 121.20 124.78 3koy s ILE 78 Ca 0.60 -0.23 -0.01 0.00 -2.23 0.00 0.00 60.65 58.77 3koy s ILE 78 Cb -0.43 -2.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 3koy s ILE 78 CO 0.44 0.49 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.73 3koy s THR 79 N 0.31 4.15 0.14 2.92 2.01 -0.87 -2.12 115.64 122.18 3koy s THR 79 Ca -0.01 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 61.77 3koy s THR 79 Cb -0.13 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 3koy s THR 79 CO 0.02 0.59 -0.19 0.28 -0.69 0.00 0.00 174.62 174.63 3koy s THR 80 N -0.73 1.76 -0.38 -0.82 -1.32 -0.52 -1.84 115.64 111.78 3koy s THR 80 Ca 0.11 -1.77 -0.09 0.00 -1.21 0.00 0.00 61.69 58.74 3koy s THR 80 Cb -0.11 -1.72 0.05 0.00 -1.51 0.00 0.00 72.50 69.21 3koy s THR 80 CO 0.02 -0.22 0.19 -1.61 -2.21 0.00 0.00 174.62 170.79 3koy s GLU 81 N -2.45 2.66 -0.24 7.08 2.02 -1.26 -1.69 118.70 124.81 3koy s GLU 81 Ca 0.12 -1.26 0.02 0.00 0.02 0.00 0.00 54.97 53.87 3koy s GLU 81 Cb -0.07 -3.65 0.06 0.00 0.10 0.00 0.00 34.13 30.56 3koy s GLU 81 CO 0.06 -0.78 -0.09 0.42 0.02 0.00 0.00 175.26 174.88 3koy s ILE 82 N 1.45 1.90 -0.33 -1.63 1.01 -0.61 -4.99 121.20 118.00 3koy s ILE 82 Ca 0.01 -1.42 -0.01 0.00 0.00 0.00 0.00 60.65 59.24 3koy s ILE 82 Cb -0.21 -2.05 0.19 0.00 0.01 0.00 0.00 42.46 40.40 3koy s ILE 82 CO 0.04 -0.02 0.80 0.00 0.00 0.00 0.00 174.94 175.76 3koy s ALA 83 N 1.24 -3.20 -0.52 9.38 0.00 -1.26 -4.35 121.76 123.05 3koy s ALA 83 Ca -0.07 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.09 3koy s ALA 83 Cb -0.19 -2.75 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 3koy s ALA 83 CO -0.06 -2.12 0.87 -1.13 0.00 0.00 0.00 175.76 173.33 3koy n SER 84 N 4.78 0.54 0.00 0.00 3.41 -1.26 -4.37 113.62 116.72 3koy n SER 84 Ca 0.08 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3koy n SER 84 Cb 0.57 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 3koy n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3koy n GLY 85 N 1.35 1.39 2.81 5.00 0.00 -1.26 -4.73 105.19 109.76 3koy n GLY 85 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3koy n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3koy s ARG 86 N -0.06 0.95 0.38 1.61 0.52 -1.26 -0.13 118.95 120.96 3koy s ARG 86 Ca 0.00 -1.10 0.09 0.00 -0.52 0.00 0.00 55.73 54.20 3koy s ARG 86 Cb 0.00 -2.27 0.83 0.00 0.52 0.00 0.00 34.95 34.03 3koy s ARG 86 CO 0.00 -0.88 1.93 0.27 0.02 0.00 0.00 175.30 176.64 3koy h PHE 87 N 8.02 0.71 -0.79 -0.53 -5.15 -1.96 -2.15 116.94 115.09 3koy h PHE 87 Ca -0.13 0.02 0.01 0.00 -0.20 0.00 0.00 57.97 57.66 3koy h PHE 87 Cb 1.04 -0.23 -0.04 0.00 0.22 0.00 0.00 35.95 36.94 3koy h PHE 87 CO 0.39 0.33 0.51 1.05 -2.00 0.00 0.00 178.31 178.59 3koy h GLU 88 N 0.66 1.04 0.06 6.09 9.09 -1.99 -0.48 114.58 129.05 3koy h GLU 88 Ca 0.35 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.69 3koy h GLU 88 Cb 0.49 -0.23 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 3koy h GLU 88 CO -0.13 0.70 -0.03 -0.44 0.05 0.00 0.00 179.01 179.16 3koy h ASP 89 N 1.07 -0.06 -0.59 3.06 3.32 -1.78 -3.33 116.42 118.10 3koy h ASP 89 Ca 0.29 -0.41 0.17 0.00 0.02 0.00 0.00 57.03 57.10 3koy h ASP 89 Cb -0.11 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3koy h ASP 89 CO -0.06 0.39 0.46 0.44 -1.72 0.00 0.00 179.24 178.74 3koy h ASP 90 N -0.53 0.00 -0.31 6.45 3.32 -0.54 -1.57 116.42 123.24 3koy h ASP 90 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3koy h ASP 90 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3koy h ASP 90 CO 0.01 0.00 0.19 0.40 -1.72 0.00 0.00 179.24 178.12 3koy h ILE 91 N 0.00 1.10 -0.09 0.35 2.04 -1.28 -1.15 117.51 118.48 3koy h ILE 91 Ca 0.28 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 3koy h ILE 91 Cb 1.20 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3koy h ILE 91 CO -0.00 0.10 -0.15 0.03 0.00 0.00 0.00 178.15 178.13 3koy h ARG 92 N 0.45 0.26 -0.42 2.37 3.08 -1.49 -2.51 114.38 116.11 3koy h ARG 92 Ca 0.12 -0.16 0.12 0.00 0.07 0.00 0.00 59.98 60.13 3koy h ARG 92 Cb -0.01 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3koy h ARG 92 CO -0.02 0.74 0.30 -0.09 -1.07 0.00 0.00 179.97 179.83 3koy h ARG 93 N -0.19 0.00 0.75 0.04 2.43 -1.53 -1.78 114.38 114.11 3koy h ARG 93 Ca 0.01 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3koy h ARG 93 Cb 0.72 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3koy h ARG 93 CO 0.03 0.00 -0.36 0.52 -1.51 0.00 0.00 179.97 178.65 3koy h MET 94 N 0.00 -0.97 -0.76 0.20 2.86 -0.87 -0.18 114.93 115.21 3koy h MET 94 Ca 0.20 0.07 0.18 0.00 -2.06 0.00 0.00 59.70 58.08 3koy h MET 94 Cb 0.80 0.22 -0.13 0.00 0.06 0.00 0.00 31.60 32.55 3koy h MET 94 CO -0.00 -0.63 0.04 -0.09 1.06 0.00 0.00 176.91 177.29 3koy h ARG 95 N -1.20 0.12 -0.03 1.72 2.43 -0.99 0.37 114.38 116.81 3koy h ARG 95 Ca -0.10 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3koy h ARG 95 Cb 0.79 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.26 3koy h ARG 95 CO 0.17 0.08 -0.37 0.52 -1.51 0.00 0.00 179.97 178.87 3koy h MET 96 N 0.13 -0.49 0.00 0.20 2.86 -1.28 -2.59 114.93 113.77 3koy h MET 96 Ca 0.42 0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 58.03 3koy h MET 96 Cb 0.76 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3koy h MET 96 CO -0.65 -0.32 -0.32 0.00 1.06 0.00 0.00 176.91 176.68 3koy h ALA 97 N 0.16 1.39 0.00 6.32 0.00 0.10 -2.74 119.26 124.49 3koy h ALA 97 Ca 0.06 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3koy h ALA 97 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3koy h ALA 97 CO -0.31 0.40 -0.50 0.00 0.00 0.00 0.00 179.25 178.84 3koy h ALA 98 N 1.68 1.12 0.00 0.00 0.00 -0.04 -2.38 119.26 119.65 3koy h ALA 98 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3koy h ALA 98 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3koy h ALA 98 CO 0.04 0.62 0.00 -1.49 0.00 0.00 0.00 179.25 178.42 3koy h TRP 99 N 0.00 0.00 -0.54 0.00 4.06 -1.16 -2.85 115.95 115.47 3koy h TRP 99 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3koy h TRP 99 Cb 0.91 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 3koy h TRP 99 CO 0.00 0.00 0.00 0.72 -3.56 0.00 0.00 178.44 175.60 3koy n HIS 100 N -2.36 0.71 0.00 0.49 8.25 -0.93 -1.22 115.22 120.16 3koy n HIS 100 Ca 0.05 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 3koy n HIS 100 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 3koy n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3koy n GLY 101 N 1.52 0.96 3.73 -1.41 0.00 -1.07 -4.54 105.19 104.36 3koy n GLY 101 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3koy n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy s ALA 102 N -2.01 3.72 -0.15 4.61 0.00 -0.99 -4.76 121.76 122.18 3koy s ALA 102 Ca 0.00 1.36 0.20 0.00 0.00 0.00 0.00 51.96 53.52 3koy s ALA 102 Cb 0.00 -3.60 0.45 0.00 0.00 0.00 0.00 23.12 19.98 3koy s ALA 102 CO 0.00 -0.77 1.17 -0.40 0.00 0.00 0.00 175.76 175.75 3koy n ASP 103 N 3.35 1.82 -3.15 0.00 5.75 -1.08 -4.43 116.55 118.82 3koy n ASP 103 Ca 0.11 -2.60 0.04 0.00 -0.01 0.00 0.00 54.79 52.33 3koy n ASP 103 Cb 0.39 -0.40 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 3koy n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3koy s HIS 104 N -2.17 -1.68 -0.29 2.11 5.04 -0.90 -2.20 115.29 115.20 3koy s HIS 104 Ca 0.35 1.45 -0.06 0.00 -1.54 0.00 0.00 55.06 55.26 3koy s HIS 104 Cb 0.37 0.46 0.01 0.00 0.04 0.00 0.00 32.58 33.46 3koy s HIS 104 CO -0.09 -0.95 0.06 0.42 -2.34 0.00 0.00 174.74 171.85 3koy s ILE 105 N 2.85 3.83 -0.18 0.89 -1.09 -0.51 -1.44 121.20 125.56 3koy s ILE 105 Ca 0.17 -0.71 -0.05 0.00 -2.23 0.00 0.00 60.65 57.82 3koy s ILE 105 Cb -0.13 -2.96 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 3koy s ILE 105 CO -0.23 0.11 0.01 -0.32 -1.23 0.00 0.00 174.94 173.27 3koy s MET 106 N 1.48 3.75 -0.44 2.79 1.75 -0.68 -1.10 119.30 126.84 3koy s MET 106 Ca 0.02 -0.47 -0.01 0.00 -1.25 0.00 0.00 55.69 53.98 3koy s MET 106 Cb -0.17 -3.06 0.12 0.00 2.84 0.00 0.00 34.83 34.56 3koy s MET 106 CO 0.02 0.18 0.23 0.08 -0.65 0.00 0.00 175.02 174.87 3koy s VAL 107 N 0.56 3.16 0.63 10.11 1.01 0.01 -1.57 120.40 134.32 3koy s VAL 107 Ca -0.00 -2.35 -0.18 0.00 0.00 0.00 0.00 61.98 59.44 3koy s VAL 107 Cb -0.14 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3koy s VAL 107 CO 0.02 -0.72 1.28 -0.63 0.00 0.00 0.00 175.10 175.05 3koy s ILE 108 N 0.79 2.15 0.81 2.22 1.01 -1.26 -4.48 121.20 122.43 3koy s ILE 108 Ca 0.11 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.80 3koy s ILE 108 Cb -0.22 -3.04 0.15 0.00 0.01 0.00 0.00 42.46 39.37 3koy s ILE 108 CO -0.04 -0.02 1.11 -0.13 0.00 0.00 0.00 174.94 175.86 3koy s ARG 109 N -3.35 1.31 0.42 2.79 0.52 -1.26 -2.70 118.95 116.67 3koy s ARG 109 Ca 0.81 -0.89 -0.24 0.00 -0.52 0.00 0.00 55.73 54.89 3koy s ARG 109 Cb -0.36 -2.17 -0.08 0.00 0.52 0.00 0.00 34.95 32.86 3koy s ARG 109 CO 0.39 -1.79 1.13 -0.08 0.02 0.00 0.00 175.30 174.96 3koy s THR 110 N -3.40 3.33 -0.25 0.02 -1.32 -0.16 -3.73 115.64 110.12 3koy s THR 110 Ca 0.69 1.04 -0.42 0.00 -1.21 0.00 0.00 61.69 61.79 3koy s THR 110 Cb -0.05 -3.55 -0.18 0.00 -1.51 0.00 0.00 72.50 67.22 3koy s THR 110 CO 0.47 0.03 1.53 0.00 -2.21 0.00 0.00 174.62 174.44 3koy n ALA 111 N -0.17 -1.23 -3.75 11.08 0.00 0.06 -1.14 120.51 125.36 3koy n ALA 111 Ca 0.06 0.48 -0.25 0.00 0.00 0.00 0.00 53.44 53.72 3koy n ALA 111 Cb 0.48 -2.03 0.05 0.00 0.00 0.00 0.00 19.45 17.95 3koy n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3koy n GLY 112 N 3.46 -0.44 0.19 0.00 0.00 -1.26 -4.87 105.19 102.26 3koy n GLY 112 Ca 0.26 0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.60 3koy n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3koy h GLN 113 N -2.15 0.00 -0.11 1.61 4.15 -1.49 -2.46 115.11 114.67 3koy h GLN 113 Ca -0.59 0.00 0.03 0.00 0.77 0.00 0.00 58.65 58.86 3koy h GLN 113 Cb 1.37 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.05 3koy h GLN 113 CO 0.61 0.00 0.11 0.77 -1.93 0.00 0.00 178.83 178.38 3koy h SER 114 N 0.00 0.00 0.83 -0.69 0.02 -1.85 -2.10 113.55 109.76 3koy h SER 114 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3koy h SER 114 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3koy h SER 114 CO 0.00 0.00 -0.55 1.41 -1.14 0.00 0.00 176.83 176.55 3koy n HIS 115 N -3.96 0.45 -2.14 3.45 8.25 -0.92 -1.06 115.22 119.30 3koy n HIS 115 Ca -0.00 0.13 -0.42 0.00 -0.26 0.00 0.00 57.72 57.16 3koy n HIS 115 Cb 0.22 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.71 3koy n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3koy s TYR 116 N -3.13 2.28 -1.34 4.41 1.51 -0.79 -4.87 117.35 115.42 3koy s TYR 116 Ca 0.08 0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 56.52 3koy s TYR 116 Cb 0.14 -3.78 -0.02 0.00 -0.11 0.00 0.00 41.96 38.19 3koy s TYR 116 CO 0.70 -3.14 2.81 -3.47 -1.11 0.00 0.00 175.55 171.34 3koy n ASP 117 N 6.90 8.15 0.00 2.29 2.03 -1.26 -3.93 116.55 130.73 3koy n ASP 117 Ca 0.16 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.68 3koy n ASP 117 Cb 0.43 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 3koy n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3koy n GLY 118 N 2.71 1.12 3.73 0.27 0.00 -1.26 -4.95 105.19 106.82 3koy n GLY 118 Ca 0.69 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 3koy n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3koy s LEU 119 N 0.00 3.50 0.29 0.99 1.43 -1.26 -4.88 118.68 118.75 3koy s LEU 119 Ca 0.00 2.44 0.08 0.00 -1.03 0.00 0.00 54.13 55.62 3koy s LEU 119 Cb 0.00 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.58 3koy s LEU 119 CO 0.00 -1.98 0.18 0.27 0.23 0.00 0.00 176.35 175.05 3koy s ILE 120 N -1.70 3.76 0.04 -0.59 -4.36 -1.26 -5.15 121.20 111.93 3koy s ILE 120 Ca 0.78 -1.53 0.07 0.00 -0.26 0.00 0.00 60.65 59.70 3koy s ILE 120 Cb -0.32 -3.17 -0.02 0.00 1.25 0.00 0.00 42.46 40.20 3koy s ILE 120 CO 0.40 -0.27 -0.19 -1.61 0.24 0.00 0.00 174.94 173.51 3koy s GLU 121 N -3.86 1.29 3.00 0.37 0.41 -1.26 -4.07 118.70 114.58 3koy s GLU 121 Ca 0.36 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 54.05 3koy s GLU 121 Cb -0.06 -1.37 0.00 0.00 -1.78 0.00 0.00 34.13 30.92 3koy s GLU 121 CO 0.24 0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.77 3koy n GLY 122 N 1.94 -0.13 2.20 -1.39 0.00 -1.24 -4.56 105.19 102.02 3koy n GLY 122 Ca -0.17 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 3koy n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3koy n THR 123 N 0.00 -0.15 -1.31 2.61 -2.24 -1.26 -4.30 114.28 107.64 3koy n THR 123 Ca 0.00 -4.53 -0.32 0.00 -2.27 0.00 0.00 64.05 56.93 3koy n THR 123 Cb 0.00 -0.23 0.10 0.00 -2.10 0.00 0.00 70.33 68.10 3koy n THR 123 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3koy s PRO 124 N -2.42 2.09 0.05 -0.78 0.04 -1.25 -3.06 135.00 129.68 3koy s PRO 124 Ca 0.40 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.59 3koy s PRO 124 Cb 0.35 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.97 3koy s PRO 124 CO -0.08 -1.81 1.30 -1.14 0.04 0.00 0.00 177.00 175.31 3koy s GLN 125 N -4.39 4.36 0.65 4.56 0.74 -1.26 -4.65 119.66 119.66 3koy s GLN 125 Ca 0.67 1.89 -0.15 0.00 0.05 0.00 0.00 55.36 57.82 3koy s GLN 125 Cb -0.22 -3.39 -0.01 0.00 1.10 0.00 0.00 33.01 30.49 3koy s GLN 125 CO 0.50 -0.40 1.10 0.20 -0.55 0.00 0.00 175.29 176.14 3koy s GLY 126 N 1.29 2.12 -0.19 2.59 0.00 0.82 -4.89 107.32 109.07 3koy s GLY 126 Ca 0.61 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.83 3koy s GLY 126 CO 0.28 0.83 -0.08 -0.42 0.00 0.00 0.00 173.10 173.72 3koy s ILE 127 N -2.40 1.43 -1.58 0.90 -1.09 -1.26 -4.66 121.20 112.53 3koy s ILE 127 Ca 0.66 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 3koy s ILE 127 Cb -0.19 -1.55 0.00 0.00 -1.58 0.00 0.00 42.46 39.14 3koy s ILE 127 CO 0.41 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3koy n GLY 128 N 4.76 1.42 0.00 6.18 0.00 -1.26 -0.76 105.19 115.53 3koy n GLY 128 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3koy n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 129 N -0.05 3.17 3.74 -0.02 0.00 -1.24 -4.69 105.19 106.10 3koy n GLY 129 Ca -0.15 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 3koy n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3koy s VAL 130 N -2.00 3.39 -0.41 1.61 1.01 -1.10 -3.48 120.40 119.42 3koy s VAL 130 Ca 0.00 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.91 3koy s VAL 130 Cb 0.00 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3koy s VAL 130 CO 0.00 0.22 1.30 -2.84 0.00 0.00 0.00 175.10 173.78 3koy s PRO 131 N -0.60 3.68 -0.33 2.72 0.02 -1.26 -0.99 135.00 138.25 3koy s PRO 131 Ca 0.52 0.87 -0.29 0.00 0.02 0.00 0.00 61.00 62.12 3koy s PRO 131 Cb -0.34 -3.96 0.00 0.00 0.02 0.00 0.00 34.50 30.22 3koy s PRO 131 CO 0.39 -1.43 1.36 0.42 -0.33 0.00 0.00 177.00 177.41 3koy s ILE 132 N 4.94 4.04 0.16 2.83 -1.09 -1.26 -4.89 121.20 125.92 3koy s ILE 132 Ca 0.56 1.14 -0.00 0.00 -2.23 0.00 0.00 60.65 60.11 3koy s ILE 132 Cb -0.12 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 3koy s ILE 132 CO 0.30 -0.56 0.06 0.42 -1.23 0.00 0.00 174.94 173.94 3koy s THR 133 N 4.77 0.21 0.21 2.92 -4.23 -1.26 -4.47 115.64 113.78 3koy s THR 133 Ca 0.59 -1.94 -0.10 0.00 -1.18 0.00 0.00 61.69 59.05 3koy s THR 133 Cb -0.16 -2.18 0.15 0.00 1.34 0.00 0.00 72.50 71.64 3koy s THR 133 CO 0.27 -0.35 1.87 -0.09 -0.54 0.00 0.00 174.62 175.78 3koy h ARG 134 N 2.76 0.92 0.35 3.99 2.43 -1.90 -1.07 114.38 121.87 3koy h ARG 134 Ca -0.36 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 3koy h ARG 134 Cb 1.21 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3koy h ARG 134 CO 0.59 0.61 -0.25 -0.22 -1.51 0.00 0.00 179.97 179.18 3koy h LYS 135 N 0.95 -0.56 -0.81 0.20 3.64 -1.84 -0.05 116.57 118.10 3koy h LYS 135 Ca 0.27 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.85 3koy h LYS 135 Cb -0.07 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 31.77 3koy h LYS 135 CO -0.07 -0.37 0.35 0.37 -2.27 0.00 0.00 179.45 177.46 3koy h GLN 136 N -0.58 0.47 -0.45 1.90 -0.00 -1.70 0.29 115.11 115.04 3koy h GLN 136 Ca -0.05 -0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.59 3koy h GLN 136 Cb 0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.82 3koy h GLN 136 CO 0.02 0.31 0.27 0.28 0.00 0.00 0.00 178.83 179.71 3koy h VAL 137 N 0.48 1.05 -0.94 2.39 2.07 -1.10 -1.80 116.25 118.41 3koy h VAL 137 Ca 0.46 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.83 3koy h VAL 137 Cb 0.73 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3koy h VAL 137 CO -0.42 0.10 0.62 0.03 0.02 0.00 0.00 177.57 177.91 3koy h ARG 138 N 0.54 1.15 0.63 1.57 3.08 0.15 -1.13 114.38 120.37 3koy h ARG 138 Ca 0.18 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3koy h ARG 138 Cb 0.00 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 29.80 3koy h ARG 138 CO -0.08 0.76 -0.30 0.00 -1.07 0.00 0.00 179.97 179.28 3koy h ALA 139 N 1.45 -1.15 -0.68 0.04 0.00 -0.82 -1.92 119.26 116.18 3koy h ALA 139 Ca 0.37 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.23 3koy h ALA 139 Cb 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 3koy h ALA 139 CO -0.11 -1.09 0.20 1.96 0.00 0.00 0.00 179.25 180.21 3koy h GLN 140 N -0.90 0.32 -0.36 0.00 4.20 -1.25 0.21 115.11 117.33 3koy h GLN 140 Ca -0.09 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 3koy h GLN 140 Cb 0.65 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3koy h GLN 140 CO 0.14 0.21 -0.28 -0.09 -0.67 0.00 0.00 178.83 178.14 3koy h ARG 141 N 0.33 0.76 -0.21 1.46 9.65 -1.24 0.87 114.38 126.00 3koy h ARG 141 Ca 0.37 -0.33 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3koy h ARG 141 Cb 0.56 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 3koy h ARG 141 CO -0.42 0.95 0.12 -0.22 2.80 0.00 0.00 179.97 183.20 3koy h LYS 142 N 0.65 0.28 0.24 0.20 3.64 -0.59 0.46 116.57 121.46 3koy h LYS 142 Ca 0.08 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3koy h LYS 142 Cb 0.81 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 3koy h LYS 142 CO 0.07 0.24 -0.30 0.00 -2.27 0.00 0.00 179.45 177.18 3koy h ALA 143 N 1.03 -0.59 -0.73 5.00 0.00 -0.70 -2.76 119.26 120.51 3koy h ALA 143 Ca 0.07 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3koy h ALA 143 Cb 0.03 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3koy h ALA 143 CO -0.01 -0.87 0.48 -0.07 0.00 0.00 0.00 179.25 178.77 3koy h LEU 144 N -0.59 0.70 -0.52 0.00 3.38 -0.50 0.34 115.31 118.11 3koy h LEU 144 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3koy h LEU 144 Cb 0.57 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 3koy h LEU 144 CO -0.10 0.46 -0.14 0.44 0.09 0.00 0.00 178.44 179.19 3koy h ASP 145 N 0.80 -0.50 0.98 -0.43 5.19 -0.73 0.52 116.42 122.24 3koy h ASP 145 Ca 0.31 0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.83 3koy h ASP 145 Cb 0.21 0.33 0.01 0.00 0.18 0.00 0.00 39.33 40.06 3koy h ASP 145 CO -0.10 -0.18 -0.47 -0.07 -3.12 0.00 0.00 179.24 175.30 3koy h LEU 146 N -0.01 -1.11 -0.90 1.55 3.38 -0.10 -2.45 115.31 115.67 3koy h LEU 146 Ca 0.25 0.04 0.24 0.00 0.09 0.00 0.00 57.88 58.50 3koy h LEU 146 Cb 0.39 0.29 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 3koy h LEU 146 CO -0.54 -0.79 0.35 0.40 0.09 0.00 0.00 178.44 177.96 3koy h ILE 147 N -1.32 0.39 0.00 1.22 2.04 -0.96 -1.46 117.51 117.41 3koy h ILE 147 Ca -0.13 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 3koy h ILE 147 Cb 1.00 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3koy h ILE 147 CO 0.22 0.06 -0.49 1.05 0.00 0.00 0.00 178.15 178.99 3koy h GLU 148 N 0.32 0.00 -0.28 2.37 4.11 0.11 -1.26 114.58 119.94 3koy h GLU 148 Ca 0.58 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.96 3koy h GLU 148 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3koy h GLU 148 CO -0.59 0.49 0.00 0.93 0.07 0.00 0.00 179.01 179.91 3koy h GLU 149 N 0.00 0.50 0.23 1.06 4.39 -0.83 -0.91 114.58 119.03 3koy h GLU 149 Ca -0.00 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3koy h GLU 149 Cb 1.01 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 3koy h GLU 149 CO 0.06 0.65 -0.15 1.49 -1.16 0.00 0.00 179.01 179.90 3koy h GLU 150 N 0.29 -0.37 -0.03 2.33 4.81 -0.95 -3.15 114.58 117.52 3koy h GLU 150 Ca 0.08 0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 3koy h GLU 150 Cb 0.43 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3koy h GLU 150 CO 0.01 -0.24 -0.75 -0.39 -0.73 0.00 0.00 179.01 176.91 3koy h VAL 151 N -0.38 1.45 0.00 0.32 -1.51 -1.32 -3.35 116.25 111.46 3koy h VAL 151 Ca -0.02 -2.35 0.00 0.00 -1.23 0.00 0.00 66.70 63.10 3koy h VAL 151 Cb 0.32 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 3koy h VAL 151 CO 0.02 0.69 0.00 0.61 -1.23 0.00 0.00 177.57 177.65 3koy n GLY 152 N 0.60 1.10 2.87 5.19 0.00 -0.36 -0.86 105.19 113.72 3koy n GLY 152 Ca -0.03 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 3koy n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3koy s ARG 153 N -1.07 0.06 0.34 1.61 3.52 -1.12 -4.73 118.95 117.55 3koy s ARG 153 Ca 0.00 0.42 -0.27 0.00 -0.13 0.00 0.00 55.73 55.75 3koy s ARG 153 Cb 0.00 -0.23 -0.12 0.00 -1.56 0.00 0.00 34.95 33.04 3koy s ARG 153 CO 0.00 -0.22 1.19 -2.30 -0.81 0.00 0.00 175.30 173.16 3koy n PRO 154 N 4.63 1.84 -4.67 5.12 -0.02 -1.26 -4.72 135.00 135.92 3koy n PRO 154 Ca -0.18 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 3koy n PRO 154 Cb 0.51 -2.18 -0.12 0.00 -0.02 0.00 0.00 33.50 31.69 3koy n PRO 154 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3koy s ILE 155 N -1.11 3.60 -0.33 4.25 1.01 -1.26 -4.90 121.20 122.45 3koy s ILE 155 Ca 0.57 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 60.52 3koy s ILE 155 Cb -0.60 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 3koy s ILE 155 CO 0.61 0.60 0.55 0.20 0.00 0.00 0.00 174.94 176.90 3koy s ASN 156 N -0.78 6.37 -0.04 3.58 0.01 -0.93 -4.97 114.94 118.18 3koy s ASN 156 Ca 0.12 0.14 -0.24 0.00 -0.71 0.00 0.00 52.86 52.17 3koy s ASN 156 Cb -0.11 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 3koy s ASN 156 CO 0.01 -0.47 0.72 -0.47 -1.51 0.00 0.00 177.10 175.38 3koy s TYR 157 N 2.47 3.62 0.01 2.20 5.04 -1.26 -1.42 117.35 128.00 3koy s TYR 157 Ca 0.21 1.32 0.01 0.00 -2.44 0.00 0.00 57.07 56.16 3koy s TYR 157 Cb -0.15 -2.81 -0.01 0.00 0.35 0.00 0.00 41.96 39.34 3koy s TYR 157 CO 0.13 0.14 -0.03 -1.58 -1.34 0.00 0.00 175.55 172.87 3koy s HIS 158 N 0.58 0.26 0.00 4.97 5.65 -0.26 -0.50 115.29 125.99 3koy s HIS 158 Ca 0.38 -0.18 0.00 0.00 0.25 0.00 0.00 55.06 55.51 3koy s HIS 158 Cb -0.18 -0.17 0.00 0.00 -1.18 0.00 0.00 32.58 31.05 3koy s HIS 158 CO 0.20 -0.05 0.00 0.45 -0.65 0.00 0.00 174.74 174.69 3koy n SER 159 N 2.58 0.00 -4.10 9.88 2.88 -1.18 -0.81 113.62 122.88 3koy n SER 159 Ca -0.16 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.08 3koy n SER 159 Cb 0.58 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.87 3koy n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3koy s TYR 160 N -2.44 2.35 -0.49 0.66 2.02 -1.26 -1.86 117.35 116.32 3koy s TYR 160 Ca 0.00 -1.21 -0.01 0.00 -0.37 0.00 0.00 57.07 55.48 3koy s TYR 160 Cb 0.00 -1.65 0.35 0.00 -0.40 0.00 0.00 41.96 40.26 3koy s TYR 160 CO 0.00 -0.60 2.01 0.28 -1.57 0.00 0.00 175.55 175.67 3koy n VAL 161 N 4.30 3.19 -2.65 0.71 0.31 -0.84 -4.95 118.33 118.40 3koy n VAL 161 Ca -0.19 -2.26 -0.23 0.00 -0.01 0.00 0.00 64.34 61.64 3koy n VAL 161 Cb 0.51 -1.21 0.12 0.00 -0.91 0.00 0.00 33.84 32.35 3koy n VAL 161 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3koy s SER 162 N -0.86 4.25 0.00 4.52 0.01 -1.26 -4.57 113.70 115.80 3koy s SER 162 Ca 0.48 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.22 3koy s SER 162 Cb 0.38 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.84 3koy s SER 162 CO -0.00 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 172.31 3koy n GLY 163 N -2.85 -1.84 0.06 3.44 0.00 -1.26 -4.04 105.19 98.70 3koy n GLY 163 Ca 0.17 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.63 3koy n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3koy n VAL 164 N 0.00 0.00 -1.14 1.61 0.24 -0.22 -3.36 118.33 115.45 3koy n VAL 164 Ca 0.00 -0.03 -0.06 0.00 -2.04 0.00 0.00 64.34 62.21 3koy n VAL 164 Cb 0.00 -0.17 0.26 0.00 -1.47 0.00 0.00 33.84 32.46 3koy n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3koy n ALA 165 N -1.18 4.46 -0.13 2.33 0.00 -1.25 -4.76 120.51 119.97 3koy n ALA 165 Ca 0.11 -2.58 -0.04 0.00 0.00 0.00 0.00 53.44 50.93 3koy n ALA 165 Cb 0.30 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 3koy n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3koy h GLY 166 N 1.98 -1.92 -0.01 0.00 0.00 -1.69 -0.86 103.07 100.57 3koy h GLY 166 Ca 0.28 0.97 0.14 0.00 0.00 0.00 0.00 47.33 48.72 3koy h GLY 166 CO 0.66 -0.60 0.11 -2.55 0.00 0.00 0.00 176.54 174.15 3koy h PRO 167 N -0.04 0.21 0.04 4.80 0.11 -1.88 0.57 132.00 135.81 3koy h PRO 167 Ca 0.05 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.17 3koy h PRO 167 Cb 0.17 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.19 3koy h PRO 167 CO -0.32 0.14 -0.48 -0.44 -0.21 0.00 0.00 178.00 176.68 3koy h ASP 168 N 0.22 -1.47 0.28 -2.05 3.32 -1.62 -0.88 116.42 114.22 3koy h ASP 168 Ca 0.36 0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.49 3koy h ASP 168 Cb 0.59 0.55 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3koy h ASP 168 CO -0.49 -0.48 -0.35 0.40 -1.72 0.00 0.00 179.24 176.60 3koy h ILE 169 N -0.63 1.27 -0.30 0.35 2.04 -1.01 -2.17 117.51 117.05 3koy h ILE 169 Ca 0.00 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.61 3koy h ILE 169 Cb 0.66 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 3koy h ILE 169 CO -0.30 0.37 0.17 0.00 0.00 0.00 0.00 178.15 178.39 3koy h ALA 170 N 1.56 0.37 0.14 1.87 0.00 -0.38 0.91 119.26 123.74 3koy h ALA 170 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3koy h ALA 170 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3koy h ALA 170 CO 0.05 -0.21 -0.07 0.28 0.00 0.00 0.00 179.25 179.30 3koy h VAL 171 N 0.34 0.91 -0.14 0.00 2.07 -0.60 0.28 116.25 119.12 3koy h VAL 171 Ca 0.12 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.47 3koy h VAL 171 Cb 0.02 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3koy h VAL 171 CO -0.07 0.05 -0.21 -0.03 0.02 0.00 0.00 177.57 177.33 3koy h MET 172 N -0.30 -0.26 -0.54 1.57 -1.53 -1.31 -0.74 114.93 111.82 3koy h MET 172 Ca -0.02 0.02 0.09 0.00 -3.44 0.00 0.00 59.70 56.35 3koy h MET 172 Cb 0.23 0.06 -0.07 0.00 -0.55 0.00 0.00 31.60 31.27 3koy h MET 172 CO 0.03 -0.17 0.12 0.74 0.14 0.00 0.00 176.91 177.77 3koy h PHE 173 N -0.27 0.20 0.14 1.39 -1.00 -0.64 -1.57 116.94 115.20 3koy h PHE 173 Ca 0.10 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.93 3koy h PHE 173 Cb 0.42 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.94 3koy h PHE 173 CO -0.32 -0.00 -0.26 0.00 -1.61 0.00 0.00 178.31 176.11 3koy h ALA 174 N 1.42 -0.46 -0.47 2.45 0.00 -0.08 -2.40 119.26 119.72 3koy h ALA 174 Ca 0.28 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3koy h ALA 174 Cb 0.38 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3koy h ALA 174 CO -0.35 -0.81 0.22 0.93 0.00 0.00 0.00 179.25 179.25 3koy h GLU 175 N -0.49 0.42 -0.76 0.00 5.08 -0.78 -3.09 114.58 114.96 3koy h GLU 175 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3koy h GLU 175 Cb 0.50 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3koy h GLU 175 CO -0.14 0.28 0.00 0.39 -1.00 0.00 0.00 179.01 178.54 3koy n GLU 176 N -4.93 3.05 -1.15 2.33 -0.58 -0.62 -4.83 120.64 113.91 3koy n GLU 176 Ca 0.04 -1.69 -0.05 0.00 -0.42 0.00 0.00 57.16 55.04 3koy n GLU 176 Cb 0.14 -1.88 -0.02 0.00 -0.57 0.00 0.00 31.44 29.10 3koy n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3koy n GLY 177 N 0.38 0.77 3.72 0.62 0.00 -1.09 -4.77 105.19 104.82 3koy n GLY 177 Ca 0.15 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 3koy n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3koy s VAL 178 N -2.16 2.37 -0.12 1.61 1.01 -0.92 -4.72 120.40 117.46 3koy s VAL 178 Ca 0.00 0.27 0.18 0.00 0.00 0.00 0.00 61.98 62.42 3koy s VAL 178 Cb 0.00 -3.17 -0.20 0.00 0.00 0.00 0.00 36.38 33.01 3koy s VAL 178 CO 0.00 0.02 0.59 0.59 0.00 0.00 0.00 175.10 176.30 3koy n ASN 179 N 3.94 0.53 -3.93 3.32 4.13 0.35 -4.68 115.26 118.91 3koy n ASN 179 Ca 0.15 0.23 -0.09 0.00 1.68 0.00 0.00 54.58 56.55 3koy n ASN 179 Cb 0.37 0.64 -0.09 0.00 -1.54 0.00 0.00 39.78 39.16 3koy n ASN 179 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3koy s GLY 180 N -4.92 0.20 0.05 7.41 0.00 -0.36 -2.53 107.32 107.16 3koy s GLY 180 Ca -0.05 -0.69 -0.27 0.00 0.00 0.00 0.00 44.72 43.70 3koy s GLY 180 CO 0.83 -0.84 0.65 0.00 0.00 0.00 0.00 173.10 173.74 3koy s ALA 181 N -3.29 -1.69 -0.04 3.20 0.00 -0.47 -3.09 121.76 116.37 3koy s ALA 181 Ca 0.01 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 3koy s ALA 181 Cb 0.03 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 3koy s ALA 181 CO -0.08 -0.56 1.07 -1.01 0.00 0.00 0.00 175.76 175.18 3koy s HIS 182 N -2.40 3.47 -0.12 0.00 3.76 -0.78 -1.35 115.29 117.88 3koy s HIS 182 Ca -0.05 1.50 -0.04 0.00 -0.15 0.00 0.00 55.06 56.32 3koy s HIS 182 Cb -0.00 -3.25 0.06 0.00 1.11 0.00 0.00 32.58 30.49 3koy s HIS 182 CO -0.01 -0.54 0.14 -1.14 -0.85 0.00 0.00 174.74 172.34 3koy s GLN 183 N 1.66 0.06 -0.27 1.40 -0.44 -0.25 -1.99 119.66 119.84 3koy s GLN 183 Ca 0.52 0.33 -0.01 0.00 -2.50 0.00 0.00 55.36 53.70 3koy s GLN 183 Cb -0.22 -0.83 0.14 0.00 -1.64 0.00 0.00 33.01 30.46 3koy s GLN 183 CO 0.23 -0.46 0.35 0.34 0.50 0.00 0.00 175.29 176.25 3koy s ASP 184 N 2.25 0.75 0.62 6.67 -1.08 -1.26 -4.60 116.67 120.02 3koy s ASP 184 Ca 0.04 -0.25 0.31 0.00 -0.52 0.00 0.00 52.55 52.13 3koy s ASP 184 Cb -0.14 0.89 1.71 0.00 -1.46 0.00 0.00 42.92 43.93 3koy s ASP 184 CO -0.07 -0.34 2.05 1.55 0.52 0.00 0.00 175.17 178.87 3koy h PRO 185 N 8.21 0.00 -0.66 4.34 0.13 -1.98 -1.01 132.00 141.03 3koy h PRO 185 Ca -0.14 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.90 3koy h PRO 185 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 3koy h PRO 185 CO 0.29 0.00 0.08 1.96 -0.23 0.00 0.00 178.00 180.09 3koy h GLN 186 N 0.00 1.11 -0.19 0.86 4.20 -1.96 -2.52 115.11 116.61 3koy h GLN 186 Ca 0.08 -0.32 0.05 0.00 0.06 0.00 0.00 58.65 58.52 3koy h GLN 186 Cb 0.61 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.19 3koy h GLN 186 CO -0.00 1.03 -0.40 -0.92 -0.67 0.00 0.00 178.83 177.87 3koy h TYR 187 N 1.03 -1.15 -0.89 2.96 3.20 -1.55 -1.44 116.97 119.13 3koy h TYR 187 Ca 0.20 0.05 0.15 0.00 3.14 0.00 0.00 58.73 62.26 3koy h TYR 187 Cb 0.48 0.53 -0.15 0.00 1.54 0.00 0.00 36.73 39.13 3koy h TYR 187 CO 0.04 -0.45 -0.36 -0.91 -1.64 0.00 0.00 178.16 174.83 3koy h ASN 188 N -0.44 -1.30 0.20 -2.11 4.21 -1.49 -2.47 115.58 112.18 3koy h ASN 188 Ca 0.09 0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.88 3koy h ASN 188 Cb 0.60 0.69 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 3koy h ASN 188 CO -0.43 -0.29 -0.09 -0.37 -1.29 0.00 0.00 177.43 174.95 3koy h VAL 189 N -0.04 0.66 0.58 2.81 -1.51 -1.35 -2.07 116.25 115.32 3koy h VAL 189 Ca 0.33 -1.05 -0.03 0.00 -1.23 0.00 0.00 66.70 64.72 3koy h VAL 189 Cb 0.59 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 3koy h VAL 189 CO -0.91 0.17 -0.29 -0.07 -1.23 0.00 0.00 177.57 175.25 3koy h LEU 190 N -0.92 -0.68 0.00 4.19 3.38 -1.20 -3.09 115.31 116.98 3koy h LEU 190 Ca -0.03 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3koy h LEU 190 Cb 0.49 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3koy h LEU 190 CO 0.04 -0.48 -1.91 -1.22 0.09 0.00 0.00 178.44 174.96 3koy n TYR 191 N -5.43 0.16 0.26 1.13 4.01 -0.94 -4.33 117.16 112.02 3koy n TYR 191 Ca -0.13 0.05 0.05 0.00 -0.16 0.00 0.00 57.90 57.71 3koy n TYR 191 Cb 0.33 -0.65 0.07 0.00 -0.31 0.00 0.00 39.34 38.77 3koy n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3koy n ARG 192 N -2.41 1.06 -3.89 -0.72 5.12 -1.13 -5.01 116.66 109.68 3koy n ARG 192 Ca -0.08 -1.34 -0.25 0.00 -1.93 0.00 0.00 57.85 54.25 3koy n ARG 192 Cb 0.66 -1.21 -0.01 0.00 -1.16 0.00 0.00 32.46 30.75 3koy n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3koy n ASN 193 N 0.53 -0.82 -4.87 0.55 5.15 -1.11 -4.85 115.26 109.83 3koy n ASN 193 Ca 0.07 -0.95 -0.37 0.00 -0.60 0.00 0.00 54.58 52.73 3koy n ASN 193 Cb 0.29 -3.34 -0.06 0.00 -0.53 0.00 0.00 39.78 36.14 3koy n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3koy s ILE 194 N -3.83 5.45 0.11 -1.44 1.01 -0.80 -1.57 121.20 120.13 3koy s ILE 194 Ca 0.06 0.18 -0.36 0.00 0.00 0.00 0.00 60.65 60.53 3koy s ILE 194 Cb -0.03 -3.37 -0.16 0.00 0.01 0.00 0.00 42.46 38.91 3koy s ILE 194 CO 0.87 0.62 1.39 -3.20 0.00 0.00 0.00 174.94 174.61 3koy n ASN 195 N 1.98 1.96 -0.24 3.58 2.85 0.04 -4.06 115.26 121.37 3koy n ASN 195 Ca -0.20 1.11 -0.08 0.00 -0.11 0.00 0.00 54.58 55.30 3koy n ASN 195 Cb 0.55 -1.25 0.04 0.00 1.24 0.00 0.00 39.78 40.36 3koy n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3koy h MET 196 N 4.82 1.10 0.11 1.20 -0.00 -1.82 -1.22 114.93 119.12 3koy h MET 196 Ca -0.47 -0.29 -0.01 0.00 -0.00 0.00 0.00 59.70 58.93 3koy h MET 196 Cb 1.32 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 3koy h MET 196 CO 0.80 1.01 -0.05 0.82 -0.00 0.00 0.00 176.91 179.48 3koy h ILE 197 N 1.03 0.97 -1.00 -0.10 2.04 -1.90 -2.15 117.51 116.40 3koy h ILE 197 Ca 0.20 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.84 3koy h ILE 197 Cb 0.43 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 3koy h ILE 197 CO 0.01 0.07 0.65 -0.09 0.00 0.00 0.00 178.15 178.79 3koy h ARG 198 N -0.27 1.16 -0.15 2.37 9.65 -1.82 -2.45 114.38 122.86 3koy h ARG 198 Ca -0.01 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.72 3koy h ARG 198 Cb 0.22 -0.26 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 3koy h ARG 198 CO 0.02 0.76 -0.19 1.03 2.80 0.00 0.00 179.97 184.40 3koy h SER 199 N 1.19 0.43 0.82 -3.80 0.87 -1.02 -2.23 113.55 109.81 3koy h SER 199 Ca 0.43 -0.51 -0.10 0.00 -1.23 0.00 0.00 61.79 60.38 3koy h SER 199 Cb 0.14 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3koy h SER 199 CO -0.16 0.85 -0.49 -0.26 -0.53 0.00 0.00 176.83 176.24 3koy h PHE 200 N 0.02 0.00 -0.27 2.24 -1.00 -1.34 -0.41 116.94 116.19 3koy h PHE 200 Ca 0.02 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.66 3koy h PHE 200 Cb 0.75 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.31 3koy h PHE 200 CO 0.09 0.49 -0.36 0.82 -1.61 0.00 0.00 178.31 177.75 3koy h ILE 201 N 0.00 1.30 0.43 -0.55 2.04 -1.45 -3.16 117.51 116.12 3koy h ILE 201 Ca -0.00 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 3koy h ILE 201 Cb 1.04 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 3koy h ILE 201 CO 0.06 0.49 -0.39 0.44 0.00 0.00 0.00 178.15 178.75 3koy h ASP 202 N 0.45 -1.05 -0.93 1.72 5.19 -1.27 -3.21 116.42 117.32 3koy h ASP 202 Ca 0.03 0.08 0.22 0.00 -0.62 0.00 0.00 57.03 56.75 3koy h ASP 202 Cb 0.94 0.34 -0.17 0.00 0.18 0.00 0.00 39.33 40.63 3koy h ASP 202 CO 0.08 -0.55 -0.06 0.00 -3.12 0.00 0.00 179.24 175.59 3koy h ALA 203 N -0.46 0.91 -0.40 3.45 0.00 -1.08 0.21 119.26 121.88 3koy h ALA 203 Ca -0.04 0.33 0.08 0.00 0.00 0.00 0.00 54.91 55.28 3koy h ALA 203 Cb 0.73 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 3koy h ALA 203 CO -0.04 -0.48 -0.26 0.00 0.00 0.00 0.00 179.25 178.47 3koy h GLU 205 N -0.19 -1.08 -0.45 0.00 4.57 -0.71 -1.13 114.58 115.59 3koy h GLU 205 Ca 0.19 0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.51 3koy h GLU 205 Cb 0.49 0.24 -0.09 0.00 -0.16 0.00 0.00 28.75 29.24 3koy h GLU 205 CO -0.51 -0.72 -0.48 0.77 -1.18 0.00 0.00 179.01 176.89 3koy h SER 206 N -1.12 -1.60 -0.78 1.04 0.02 -0.74 -1.86 113.55 108.51 3koy h SER 206 Ca -0.09 0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3koy h SER 206 Cb 0.92 0.69 -0.04 0.00 0.14 0.00 0.00 62.40 64.11 3koy h SER 206 CO 0.03 -0.37 0.52 0.11 -1.14 0.00 0.00 176.83 175.98 3koy h LYS 207 N -0.33 1.02 0.02 3.45 1.57 -0.29 -0.50 116.57 121.51 3koy h LYS 207 Ca 0.13 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3koy h LYS 207 Cb 0.58 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3koy h LYS 207 CO -0.61 0.67 -0.10 1.15 -0.57 0.00 0.00 179.45 179.99 3koy h THR 208 N 1.05 0.75 -0.21 -0.16 2.02 -0.67 0.24 112.91 115.93 3koy h THR 208 Ca 0.29 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.52 3koy h THR 208 Cb -0.11 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 3koy h THR 208 CO -0.06 0.00 -0.15 0.40 0.37 0.00 0.00 175.52 176.08 3koy h ILE 209 N -0.18 0.58 -0.59 3.11 2.04 -0.52 0.05 117.51 122.00 3koy h ILE 209 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.95 3koy h ILE 209 Cb 0.22 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 3koy h ILE 209 CO -0.09 0.00 0.31 0.24 0.00 0.00 0.00 178.15 178.61 3koy h MET 210 N -0.14 0.56 -0.69 2.37 2.86 -0.99 -1.31 114.93 117.60 3koy h MET 210 Ca 0.12 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.82 3koy h MET 210 Cb 0.32 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.79 3koy h MET 210 CO -0.30 0.37 0.34 0.00 1.06 0.00 0.00 176.91 178.38 3koy h ALA 211 N 1.32 0.94 -0.50 6.32 0.00 -0.11 -1.46 119.26 125.77 3koy h ALA 211 Ca 0.26 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.32 3koy h ALA 211 Cb 0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3koy h ALA 211 CO -0.18 -0.06 0.06 2.35 0.00 0.00 0.00 179.25 181.42 3koy h TRP 212 N 0.58 0.08 0.00 0.00 7.01 0.08 -2.28 115.95 121.42 3koy h TRP 212 Ca 0.34 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.37 3koy h TRP 212 Cb 0.36 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 3koy h TRP 212 CO -0.11 -0.05 0.00 0.00 -2.79 0.00 0.00 178.44 175.49 3koy n ALA 213 N -2.58 2.49 -4.04 2.65 0.00 -0.64 -4.85 120.51 113.54 3koy n ALA 213 Ca 0.06 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 3koy n ALA 213 Cb 0.26 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 3koy n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3koy n ASP 214 N -0.66 -1.79 -4.79 0.00 2.03 -0.86 -3.67 116.55 106.82 3koy n ASP 214 Ca 0.07 -0.98 -0.39 0.00 0.52 0.00 0.00 54.79 54.01 3koy n ASP 214 Cb 0.03 -3.06 -0.06 0.00 -0.72 0.00 0.00 41.12 37.32 3koy n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3koy s MET 215 N -6.68 4.23 0.11 -0.67 -1.94 -0.70 -2.27 119.30 111.38 3koy s MET 215 Ca 0.32 0.69 -0.30 0.00 -1.71 0.00 0.00 55.69 54.69 3koy s MET 215 Cb -0.17 -3.29 -0.06 0.00 2.01 0.00 0.00 34.83 33.32 3koy s MET 215 CO 0.89 0.50 0.99 0.00 -0.01 0.00 0.00 175.02 177.39 3koy s ALA 216 N -0.63 3.25 -0.10 3.03 0.00 -1.05 -4.75 121.76 121.51 3koy s ALA 216 Ca 0.29 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3koy s ALA 216 Cb -0.18 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3koy s ALA 216 CO 0.17 -0.08 -0.12 -1.14 0.00 0.00 0.00 175.76 174.60 3koy s GLN 217 N 0.07 3.10 0.08 0.00 0.74 -0.23 -1.37 119.66 122.05 3koy s GLN 217 Ca 0.48 -0.66 0.04 0.00 0.05 0.00 0.00 55.36 55.27 3koy s GLN 217 Cb -0.24 -2.58 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 3koy s GLN 217 CO 0.30 0.38 0.02 0.42 -0.55 0.00 0.00 175.29 175.86 3koy s ILE 218 N -0.07 4.13 0.00 -2.34 1.01 -0.45 -0.97 121.20 122.51 3koy s ILE 218 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3koy s ILE 218 Cb -0.14 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3koy s ILE 218 CO 0.04 0.15 0.00 -0.90 0.00 0.00 0.00 174.94 174.22 3koy n ASP 219 N 0.63 0.25 -0.45 3.58 5.68 -1.08 -1.09 116.55 124.07 3koy n ASP 219 Ca -0.11 -0.69 0.05 0.00 -0.50 0.00 0.00 54.79 53.54 3koy n ASP 219 Cb 0.52 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.56 3koy n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3koy n GLY 223 N 5.00 -0.02 0.30 6.12 0.00 -1.26 -4.66 105.19 110.68 3koy n GLY 223 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.79 3koy n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy h ALA 224 N 2.10 0.93 -1.10 4.61 0.00 -1.94 -0.31 119.26 123.56 3koy h ALA 224 Ca 0.00 0.28 0.31 0.00 0.00 0.00 0.00 54.91 55.50 3koy h ALA 224 Cb 0.48 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3koy h ALA 224 CO 0.00 -0.46 0.77 1.12 0.00 0.00 0.00 179.25 180.68 3koy h HIS 225 N 0.08 0.15 0.00 0.00 2.07 -1.85 0.40 115.15 116.01 3koy h HIS 225 Ca 0.48 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 58.01 3koy h HIS 225 Cb 0.90 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.84 3koy h HIS 225 CO -0.45 0.01 0.00 -0.91 -3.07 0.00 0.00 177.93 173.51 3koy h ASN 226 N 0.09 0.00 -0.06 3.10 2.35 -1.42 -1.71 115.58 117.93 3koy h ASN 226 Ca 0.54 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 56.09 3koy h ASN 226 Cb 1.98 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.37 3koy h ASN 226 CO -0.07 0.00 -0.78 0.00 -1.65 0.00 0.00 177.43 174.93 3koy h ALA 227 N 1.99 0.17 -0.87 -0.83 0.00 -0.36 -2.58 119.26 116.78 3koy h ALA 227 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 54.91 54.38 3koy h ALA 227 Cb 0.01 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 3koy h ALA 227 CO 0.00 0.55 -0.51 0.09 0.00 0.00 0.00 179.25 179.38 3koy n ASN 228 N -4.03 -0.92 0.15 0.00 4.13 -0.66 -1.03 115.26 112.90 3koy n ASN 228 Ca -0.09 1.65 -0.13 0.00 1.68 0.00 0.00 54.58 57.68 3koy n ASN 228 Cb 0.75 -0.25 -0.07 0.00 -1.54 0.00 0.00 39.78 38.68 3koy n ASN 228 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3koy h ALA 229 N 0.34 -0.39 0.00 5.41 0.00 -1.47 -2.88 119.26 120.27 3koy h ALA 229 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3koy h ALA 229 Cb 0.36 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3koy h ALA 229 CO -0.82 -0.74 -0.15 1.79 0.00 0.00 0.00 179.25 179.32 3koy h THR 230 N -0.41 0.44 -3.66 0.00 1.35 -1.36 -3.45 112.91 105.82 3koy h THR 230 Ca -0.00 -0.84 -0.54 0.00 -0.55 0.00 0.00 66.41 64.48 3koy h THR 230 Cb 0.38 1.60 0.10 0.00 -1.73 0.00 0.00 68.15 68.50 3koy h THR 230 CO -0.03 0.15 0.84 0.00 -0.25 0.00 0.00 175.52 176.23 3koy s ALA 231 N -3.79 3.66 0.07 6.62 0.00 -0.19 -4.94 121.76 123.18 3koy s ALA 231 Ca -0.00 1.59 -0.35 0.00 0.00 0.00 0.00 51.96 53.20 3koy s ALA 231 Cb 0.11 -3.64 -0.18 0.00 0.00 0.00 0.00 23.12 19.41 3koy s ALA 231 CO 0.60 -1.05 1.53 0.00 0.00 0.00 0.00 175.76 176.85 3koy h ARG 232 N 3.84 -1.12 -4.35 0.00 2.47 -1.88 -3.39 114.38 109.96 3koy h ARG 232 Ca -0.49 0.08 -0.64 0.00 -1.26 0.00 0.00 59.98 57.67 3koy h ARG 232 Cb 1.23 0.25 -0.40 0.00 -1.65 0.00 0.00 29.97 29.41 3koy h ARG 232 CO 0.71 -0.75 -0.73 -1.21 0.56 0.00 0.00 179.97 178.56 3koy s GLU 233 N -5.77 1.25 0.00 0.04 2.02 -1.26 -5.00 118.70 109.98 3koy s GLU 233 Ca -0.18 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.17 3koy s GLU 233 Cb 0.03 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.41 3koy s GLU 233 CO 0.57 -0.95 0.91 0.00 0.02 0.00 0.00 175.26 175.80 3koy n ALA 234 N 4.42 0.93 0.15 5.21 0.00 -1.26 -0.94 120.51 129.02 3koy n ALA 234 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 3koy n ALA 234 Cb 0.42 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.02 3koy n ALA 234 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3koy h TRP 235 N 0.00 0.00 0.00 0.00 0.09 -1.95 -3.25 115.95 110.84 3koy h TRP 235 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3koy h TRP 235 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.34 3koy h TRP 235 CO 0.00 0.36 0.00 1.63 0.09 0.00 0.00 178.44 180.52 3koy n LYS 236 N -3.13 0.17 -0.07 0.12 5.02 -0.11 -4.18 118.16 115.97 3koy n LYS 236 Ca 0.01 0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 3koy n LYS 236 Cb 0.69 -1.70 0.39 0.00 -0.02 0.00 0.00 35.03 34.39 3koy n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3koy n VAL 237 N -1.99 0.19 -0.17 -0.18 3.14 -1.23 -4.26 118.33 113.83 3koy n VAL 237 Ca 0.06 -0.34 -0.07 0.00 -2.96 0.00 0.00 64.34 61.03 3koy n VAL 237 Cb 0.40 0.39 0.02 0.00 -1.06 0.00 0.00 33.84 33.58 3koy n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3koy h MET 238 N 2.25 0.70 -0.92 1.45 2.86 -1.78 -1.95 114.93 117.53 3koy h MET 238 Ca 0.00 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3koy h MET 238 Cb 0.49 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 3koy h MET 238 CO 0.00 0.53 0.61 -1.35 1.06 0.00 0.00 176.91 177.75 3koy h PRO 239 N 0.67 1.21 -0.73 -0.22 0.11 -1.89 -0.25 132.00 130.90 3koy h PRO 239 Ca 0.18 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.24 3koy h PRO 239 Cb 0.02 -0.27 -0.05 0.00 0.11 0.00 0.00 31.00 30.82 3koy h PRO 239 CO -0.03 0.80 0.46 1.49 -0.21 0.00 0.00 178.00 180.51 3koy h GLU 240 N 1.25 0.87 -0.96 1.05 4.81 -1.82 -2.52 114.58 117.25 3koy h GLU 240 Ca 0.34 -0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.66 3koy h GLU 240 Cb -0.14 -0.20 -0.09 0.00 0.63 0.00 0.00 28.75 28.95 3koy h GLU 240 CO -0.07 0.58 0.58 -0.07 -0.73 0.00 0.00 179.01 179.29 3koy h LEU 241 N 0.90 0.79 -0.79 1.64 3.38 -0.28 -1.30 115.31 119.65 3koy h LEU 241 Ca 0.29 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.21 3koy h LEU 241 Cb 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3koy h LEU 241 CO -0.11 0.36 -0.47 0.24 0.09 0.00 0.00 178.44 178.56 3koy h MET 242 N 0.84 0.33 0.44 1.13 2.86 -0.94 -2.10 114.93 117.49 3koy h MET 242 Ca 0.51 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.95 3koy h MET 242 Cb 0.65 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3koy h MET 242 CO -0.32 0.73 -0.21 0.28 1.06 0.00 0.00 176.91 178.45 3koy h VAL 243 N 0.27 0.37 -0.30 -2.22 2.07 -1.07 -0.22 116.25 115.16 3koy h VAL 243 Ca 0.02 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.06 3koy h VAL 243 Cb 0.92 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 3koy h VAL 243 CO 0.08 0.07 -0.25 1.56 0.02 0.00 0.00 177.57 179.05 3koy h GLN 244 N -0.99 -0.22 -0.24 1.57 4.20 -1.31 0.35 115.11 118.47 3koy h GLN 244 Ca -0.06 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.72 3koy h GLN 244 Cb 0.57 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.32 3koy h GLN 244 CO 0.10 -0.15 -0.43 0.45 -0.67 0.00 0.00 178.83 178.13 3koy h HIS 245 N -0.23 -1.25 -0.22 2.96 3.86 -1.42 -2.22 115.15 116.63 3koy h HIS 245 Ca 0.16 0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.47 3koy h HIS 245 Cb 0.47 0.58 -0.05 0.00 1.06 0.00 0.00 27.41 29.48 3koy h HIS 245 CO -0.43 -0.47 -0.08 0.00 0.86 0.00 0.00 177.93 177.81 3koy h ALA 246 N 0.21 0.11 -0.54 2.45 0.00 0.20 -2.32 119.26 119.37 3koy h ALA 246 Ca 0.10 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3koy h ALA 246 Cb 0.61 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3koy h ALA 246 CO -0.47 -0.50 0.23 -0.07 0.00 0.00 0.00 179.25 178.43 3koy h LEU 247 N -0.05 0.27 -0.86 0.00 3.38 0.20 -1.75 115.31 116.49 3koy h LEU 247 Ca 0.11 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 3koy h LEU 247 Cb 0.22 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3koy h LEU 247 CO -0.25 0.18 -0.51 -1.13 0.09 0.00 0.00 178.44 176.81 3koy h ASN 248 N 0.43 0.00 0.00 -0.43 -1.24 -1.28 -2.64 115.58 110.42 3koy h ASN 248 Ca 0.26 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.27 3koy h ASN 248 Cb 0.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.30 3koy h ASN 248 CO -0.23 0.51 -0.00 0.28 -1.29 0.00 0.00 177.43 176.70 3koy h SER 249 N 0.00 -0.00 0.06 1.15 0.02 -0.87 -0.64 113.55 113.27 3koy h SER 249 Ca -0.01 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3koy h SER 249 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3koy h SER 249 CO 0.07 0.53 -0.03 -0.29 -1.14 0.00 0.00 176.83 175.97 3koy h ILE 250 N -0.53 1.13 -0.53 3.27 6.09 -1.39 0.40 117.51 125.94 3koy h ILE 250 Ca -0.00 -0.64 0.07 0.00 -1.37 0.00 0.00 64.86 62.92 3koy h ILE 250 Cb 0.53 1.55 -0.10 0.00 0.47 0.00 0.00 36.82 39.27 3koy h ILE 250 CO 0.00 0.16 -0.51 0.15 -3.07 0.00 0.00 178.15 174.88 3koy h PHE 251 N -0.36 -1.54 -0.35 2.19 3.57 -1.57 0.43 116.94 119.31 3koy h PHE 251 Ca -0.01 0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.61 3koy h PHE 251 Cb 0.32 0.74 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 3koy h PHE 251 CO 0.02 -0.45 0.16 0.77 -2.23 0.00 0.00 178.31 176.58 3koy h SER 252 N -0.29 0.21 -0.68 0.41 0.02 -0.89 -1.53 113.55 110.79 3koy h SER 252 Ca 0.13 0.02 0.12 0.00 -0.84 0.00 0.00 61.79 61.22 3koy h SER 252 Cb 0.57 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.01 3koy h SER 252 CO -0.66 0.16 0.24 0.25 -1.14 0.00 0.00 176.83 175.68 3koy h LEU 253 N 0.33 0.20 -0.16 5.07 5.85 0.83 -2.48 115.31 124.95 3koy h LEU 253 Ca 0.15 0.10 -0.22 0.00 0.84 0.00 0.00 57.88 58.75 3koy h LEU 253 Cb 0.09 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3koy h LEU 253 CO -0.13 0.09 -0.97 0.11 -0.34 0.00 0.00 178.44 177.20 3koy h LYS 254 N 0.39 0.31 -0.15 1.25 1.79 -0.51 -2.84 116.57 116.81 3koy h LYS 254 Ca 0.36 -0.36 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3koy h LYS 254 Cb 0.53 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 3koy h LYS 254 CO -0.38 1.07 0.19 0.28 -1.08 0.00 0.00 179.45 179.53 3koy h VAL 255 N 0.16 0.42 0.00 0.50 2.07 -0.84 -3.45 116.25 115.11 3koy h VAL 255 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3koy h VAL 255 Cb 1.62 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3koy h VAL 255 CO 0.16 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3koy n GLY 256 N -1.37 1.15 3.82 2.17 0.00 -1.07 -4.82 105.19 105.07 3koy n GLY 256 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3koy n GLY 256 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3koy s MET 257 N 0.00 4.11 0.14 1.61 0.00 -1.06 -4.97 119.30 119.14 3koy s MET 257 Ca 0.00 1.17 -0.30 0.00 0.00 0.00 0.00 55.69 56.56 3koy s MET 257 Cb 0.00 -2.16 -0.07 0.00 0.00 0.00 0.00 34.83 32.60 3koy s MET 257 CO 0.00 -0.14 1.15 0.15 0.00 0.00 0.00 175.02 176.18 3koy s LYS 258 N -3.24 4.52 0.59 4.11 1.02 -1.26 -4.59 119.74 120.89 3koy s LYS 258 Ca 0.63 1.76 0.29 0.00 0.02 0.00 0.00 55.97 58.67 3koy s LYS 258 Cb -0.11 -3.29 1.54 0.00 -0.52 0.00 0.00 37.83 35.45 3koy s LYS 258 CO 0.15 -0.06 1.97 -0.22 -0.92 0.00 0.00 175.35 176.28 3koy h LYS 259 N 5.65 0.00 -0.00 1.68 3.64 -1.93 0.16 116.57 125.77 3koy h LYS 259 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3koy h LYS 259 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3koy h LYS 259 CO 0.75 0.00 -0.00 -1.13 -2.27 0.00 0.00 179.45 176.80 3koy n SER 260 N -3.75 0.50 -0.10 4.20 3.41 -1.26 -3.35 113.62 113.27 3koy n SER 260 Ca 0.06 -1.14 0.03 0.00 -0.26 0.00 0.00 58.87 57.56 3koy n SER 260 Cb 0.53 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3koy n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3koy n ASN 261 N -0.62 0.74 -4.64 4.04 4.13 0.56 -4.75 115.26 114.72 3koy n ASN 261 Ca 0.22 -0.87 -0.41 0.00 1.68 0.00 0.00 54.58 55.20 3koy n ASN 261 Cb 0.20 0.68 -0.05 0.00 -1.54 0.00 0.00 39.78 39.06 3koy n ASN 261 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3koy s ILE 262 N -1.30 4.94 -0.14 2.41 1.01 -1.15 -1.06 121.20 125.90 3koy s ILE 262 Ca 0.05 1.31 0.01 0.00 0.00 0.00 0.00 60.65 62.02 3koy s ILE 262 Cb 0.05 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3koy s ILE 262 CO 0.21 0.01 -0.19 0.00 0.00 0.00 0.00 174.94 174.98 3koy s LEU 264 N 0.76 4.28 -0.62 0.00 1.02 -0.17 -2.63 118.68 121.32 3koy s LEU 264 Ca -0.07 1.69 -0.22 0.00 0.02 0.00 0.00 54.13 55.55 3koy s LEU 264 Cb -0.16 -3.56 0.07 0.00 0.02 0.00 0.00 46.19 42.56 3koy s LEU 264 CO 0.00 -0.48 0.88 -0.55 0.02 0.00 0.00 176.35 176.23 3koy s SER 265 N 1.22 6.21 -0.27 2.29 0.15 -1.26 0.01 113.70 122.05 3koy s SER 265 Ca 0.52 -0.95 0.02 0.00 0.70 0.00 0.00 55.95 56.24 3koy s SER 265 Cb -0.22 -2.39 0.07 0.00 -1.71 0.00 0.00 66.02 61.77 3koy s SER 265 CO 0.22 -1.30 -0.03 0.28 1.20 0.00 0.00 173.24 173.61 3koy s THR 266 N 3.68 1.76 -0.19 6.45 -1.32 0.39 -3.58 115.64 122.83 3koy s THR 266 Ca 0.21 -1.56 -0.12 0.00 -1.21 0.00 0.00 61.69 59.01 3koy s THR 266 Cb -0.18 -2.07 -0.05 0.00 -1.51 0.00 0.00 72.50 68.69 3koy s THR 266 CO 0.11 -0.24 0.22 -0.69 -2.21 0.00 0.00 174.62 171.81 3koy s VAL 267 N 1.25 5.34 0.12 5.08 1.01 -1.26 -2.61 120.40 129.34 3koy s VAL 267 Ca -0.02 0.38 -0.32 0.00 0.00 0.00 0.00 61.98 62.03 3koy s VAL 267 Cb -0.19 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 3koy s VAL 267 CO -0.08 0.39 1.82 -2.65 0.00 0.00 0.00 175.10 174.58 3koy n PRO 268 N 3.73 2.73 0.15 2.72 -0.02 -1.26 -4.90 135.00 138.14 3koy n PRO 268 Ca -0.14 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3koy n PRO 268 Cb 0.52 -2.88 0.29 0.00 -0.02 0.00 0.00 33.50 31.41 3koy n PRO 268 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3koy h PRO 269 N 8.26 0.08 -5.99 0.52 0.11 -1.92 -3.44 132.00 129.62 3koy h PRO 269 Ca -0.46 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.07 3koy h PRO 269 Cb 1.22 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 3koy h PRO 269 CO 0.95 0.48 -0.48 0.95 -0.21 0.00 0.00 178.00 179.69 3koy s THR 270 N -4.10 2.50 0.09 -1.15 -4.23 -1.26 -4.69 115.64 102.79 3koy s THR 270 Ca -0.03 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 58.79 3koy s THR 270 Cb 0.14 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 3koy s THR 270 CO 0.75 -0.03 0.15 0.00 -0.54 0.00 0.00 174.62 174.94 3koy s ALA 271 N -2.54 -0.03 0.73 3.99 0.00 -1.26 -4.92 121.76 117.73 3koy s ALA 271 Ca 0.42 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 3koy s ALA 271 Cb 0.01 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.65 3koy s ALA 271 CO 0.24 -0.49 1.20 -2.14 0.00 0.00 0.00 175.76 174.57 3koy s PRO 272 N -3.89 2.13 0.00 0.00 0.02 -1.26 -1.74 135.00 130.26 3koy s PRO 272 Ca 0.07 1.75 0.15 0.00 0.02 0.00 0.00 61.00 62.98 3koy s PRO 272 Cb 0.05 -1.83 0.73 0.00 0.02 0.00 0.00 34.50 33.47 3koy s PRO 272 CO -0.10 -1.84 1.42 -0.35 -0.33 0.00 0.00 177.00 175.80 3koy n PRO 273 N -2.75 0.18 -1.47 5.54 -0.04 -1.26 -5.09 135.00 130.12 3koy n PRO 273 Ca 0.13 0.16 -0.36 0.00 -0.04 0.00 0.00 63.50 63.40 3koy n PRO 273 Cb 0.50 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.55 3koy n PRO 273 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3koy n ALA 274 N -1.31 0.59 -2.26 0.55 0.00 -0.71 -4.83 120.51 112.53 3koy n ALA 274 Ca 0.07 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 3koy n ALA 274 Cb 0.12 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.26 3koy n ALA 274 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3koy s PRO 275 N -3.62 3.06 -0.07 0.00 0.02 -1.26 -4.77 135.00 128.36 3koy s PRO 275 Ca 0.79 -1.40 -0.25 0.00 0.02 0.00 0.00 61.00 60.15 3koy s PRO 275 Cb -0.35 -5.34 -0.24 0.00 0.02 0.00 0.00 34.50 28.59 3koy s PRO 275 CO 0.45 -3.28 0.98 0.66 -0.33 0.00 0.00 177.00 175.48 3koy h SER 276 N 9.09 0.17 -0.99 2.53 4.64 -1.88 -2.56 113.55 124.55 3koy h SER 276 Ca 0.29 -0.82 0.12 0.00 -0.47 0.00 0.00 61.79 60.91 3koy h SER 276 Cb 0.92 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 62.88 3koy h SER 276 CO 1.31 0.97 0.63 0.24 -0.87 0.00 0.00 176.83 179.11 3koy h MET 277 N -0.61 0.95 -0.40 4.77 2.86 -1.92 0.67 114.93 121.25 3koy h MET 277 Ca -0.03 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3koy h MET 277 Cb 1.01 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 3koy h MET 277 CO 0.04 0.63 0.17 -0.92 1.06 0.00 0.00 176.91 177.88 3koy h TYR 278 N 0.98 0.55 0.00 -0.22 3.20 -1.92 -0.04 116.97 119.52 3koy h TYR 278 Ca 0.49 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.19 3koy h TYR 278 Cb 0.49 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3koy h TYR 278 CO -0.00 0.43 -0.90 -0.07 -1.64 0.00 0.00 178.16 175.97 3koy h LEU 279 N 0.56 0.00 -0.65 2.82 3.38 -0.92 -3.40 115.31 117.09 3koy h LEU 279 Ca 0.14 -0.48 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 3koy h LEU 279 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3koy h LEU 279 CO -0.02 1.26 -0.58 0.44 0.09 0.00 0.00 178.44 179.64 3koy h ASP 280 N -1.00 0.33 -0.41 -0.43 3.32 -0.95 -3.35 116.42 113.94 3koy h ASP 280 Ca -0.23 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3koy h ASP 280 Cb 1.08 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3koy h ASP 280 CO -0.14 0.84 0.26 0.25 -1.72 0.00 0.00 179.24 178.73 3koy h LEU 281 N 0.23 0.48 -1.03 1.55 5.85 -1.17 -1.55 115.31 119.67 3koy h LEU 281 Ca -0.00 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 3koy h LEU 281 Cb 1.08 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3koy h LEU 281 CO 0.09 0.37 -0.10 -0.65 -0.34 0.00 0.00 178.44 177.81 3koy h PRO 282 N 0.54 0.59 -0.61 5.25 0.11 -1.79 -1.12 132.00 134.97 3koy h PRO 282 Ca 0.15 -0.17 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 3koy h PRO 282 Cb -0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 3koy h PRO 282 CO -0.03 0.68 0.06 -0.92 -0.21 0.00 0.00 178.00 177.58 3koy h TYR 283 N 0.54 1.12 -0.42 0.65 3.20 -1.68 -0.29 116.97 120.09 3koy h TYR 283 Ca 0.10 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.82 3koy h TYR 283 Cb 0.50 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3koy h TYR 283 CO 0.02 0.97 0.24 0.00 -1.64 0.00 0.00 178.16 177.75 3koy h ALA 284 N 1.01 0.53 -0.43 1.82 0.00 -0.79 0.14 119.26 121.54 3koy h ALA 284 Ca 0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3koy h ALA 284 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3koy h ALA 284 CO 0.02 -0.08 0.04 0.28 0.00 0.00 0.00 179.25 179.51 3koy h VAL 285 N 0.49 1.25 0.22 0.00 2.07 -1.04 -2.35 116.25 116.90 3koy h VAL 285 Ca 0.17 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3koy h VAL 285 Cb 0.02 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3koy h VAL 285 CO -0.08 0.32 -0.16 0.00 0.02 0.00 0.00 177.57 177.68 3koy h ALA 286 N 0.92 -0.36 -0.31 1.67 0.00 -0.69 -0.55 119.26 119.94 3koy h ALA 286 Ca 0.13 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3koy h ALA 286 Cb 0.42 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 3koy h ALA 286 CO 0.01 -0.72 -0.36 1.25 0.00 0.00 0.00 179.25 179.44 3koy h LEU 287 N -0.38 -1.16 -1.14 0.00 5.85 -0.69 -1.37 115.31 116.42 3koy h LEU 287 Ca -0.02 0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3koy h LEU 287 Cb 0.33 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3koy h LEU 287 CO 0.00 -0.35 -0.33 0.03 -0.34 0.00 0.00 178.44 177.45 3koy h ARG 288 N -0.33 0.18 -0.46 1.25 3.08 -1.33 -1.99 114.38 114.79 3koy h ARG 288 Ca 0.14 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3koy h ARG 288 Cb 0.56 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3koy h ARG 288 CO -0.49 0.49 0.18 0.93 -1.07 0.00 0.00 179.97 180.01 3koy h GLU 289 N 0.16 0.65 0.01 0.04 5.08 -0.50 -2.92 114.58 117.10 3koy h GLU 289 Ca 0.02 -0.09 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 3koy h GLU 289 Cb 0.66 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3koy h GLU 289 CO 0.05 0.54 -1.03 1.98 -1.00 0.00 0.00 179.01 179.55 3koy h MET 290 N 0.65 0.02 -0.67 2.33 4.05 -0.58 -3.31 114.93 117.42 3koy h MET 290 Ca 0.16 -0.04 -0.47 0.00 -0.28 0.00 0.00 59.70 59.07 3koy h MET 290 Cb 0.14 0.02 -0.31 0.00 -0.80 0.00 0.00 31.60 30.64 3koy h MET 290 CO -0.01 1.01 -0.31 1.19 0.23 0.00 0.00 176.91 179.02 3koy n PHE 291 N -3.36 2.34 -1.47 1.39 3.72 -0.83 -5.01 117.46 114.24 3koy n PHE 291 Ca -0.01 -2.22 -0.51 0.00 -0.05 0.00 0.00 57.45 54.66 3koy n PHE 291 Cb 0.95 -0.59 -0.05 0.00 -0.94 0.00 0.00 39.48 38.85 3koy n PHE 291 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 3koy n GLU 292 N -0.86 0.26 0.00 -1.08 -0.00 -1.11 -0.89 120.64 116.96 3koy n GLU 292 Ca 0.44 0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.69 3koy n GLU 292 Cb 0.91 -1.35 0.00 0.00 -0.00 0.00 0.00 31.44 31.00 3koy n GLU 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3koy n GLY 293 N 1.80 2.99 3.89 -1.84 0.00 -1.26 -5.04 105.19 105.74 3koy n GLY 293 Ca 0.18 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3koy n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3koy s TYR 294 N -2.20 3.53 0.10 1.61 2.02 -0.07 -4.35 117.35 117.98 3koy s TYR 294 Ca 0.00 0.90 -0.30 0.00 -0.37 0.00 0.00 57.07 57.30 3koy s TYR 294 Cb 0.00 -2.35 -0.06 0.00 -0.40 0.00 0.00 41.96 39.15 3koy s TYR 294 CO 0.00 -0.22 1.01 1.03 -1.57 0.00 0.00 175.55 175.80 3koy s ARG 295 N -4.41 4.63 -0.31 -0.62 1.81 -0.85 -4.99 118.95 114.20 3koy s ARG 295 Ca 0.49 1.52 -0.15 0.00 -1.72 0.00 0.00 55.73 55.86 3koy s ARG 295 Cb -0.10 -3.37 -0.02 0.00 -0.45 0.00 0.00 34.95 31.00 3koy s ARG 295 CO 0.40 0.09 0.38 -1.64 -0.68 0.00 0.00 175.30 173.85 3koy s MET 296 N 0.24 3.76 -0.40 3.54 -1.94 -1.26 -1.00 119.30 122.23 3koy s MET 296 Ca 0.49 -0.21 -0.11 0.00 -1.71 0.00 0.00 55.69 54.16 3koy s MET 296 Cb -0.24 -3.74 0.05 0.00 2.01 0.00 0.00 34.83 32.91 3koy s MET 296 CO 0.30 -0.43 0.24 0.50 -0.01 0.00 0.00 175.02 175.63 3koy s ARG 297 N 2.07 2.74 -0.30 2.03 3.52 0.10 -1.13 118.95 127.99 3koy s ARG 297 Ca 0.14 -1.26 -0.22 0.00 -0.13 0.00 0.00 55.73 54.25 3koy s ARG 297 Cb -0.16 -3.78 -0.00 0.00 -1.56 0.00 0.00 34.95 29.44 3koy s ARG 297 CO 0.11 -0.83 0.73 0.00 -0.81 0.00 0.00 175.30 174.50 3koy s ALA 298 N 1.51 3.55 0.30 6.12 0.00 0.33 -0.46 121.76 133.10 3koy s ALA 298 Ca 0.02 -0.48 0.09 0.00 0.00 0.00 0.00 51.96 51.59 3koy s ALA 298 Cb -0.21 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3koy s ALA 298 CO 0.05 -1.11 0.09 -1.14 0.00 0.00 0.00 175.76 173.65 3koy s GLN 299 N 2.80 2.41 0.24 0.00 2.00 -1.07 0.15 119.66 126.19 3koy s GLN 299 Ca 0.30 -1.43 -0.02 0.00 -2.00 0.00 0.00 55.36 52.21 3koy s GLN 299 Cb -0.15 -2.22 -0.05 0.00 0.80 0.00 0.00 33.01 31.40 3koy s GLN 299 CO 0.12 0.26 0.47 -1.64 -0.50 0.00 0.00 175.29 173.99 3koy s MET 300 N -3.77 3.57 0.09 1.67 -1.94 -1.25 -4.12 119.30 113.54 3koy s MET 300 Ca 0.34 -0.19 -0.35 0.00 -1.71 0.00 0.00 55.69 53.78 3koy s MET 300 Cb -0.05 -2.75 -0.14 0.00 2.01 0.00 0.00 34.83 33.90 3koy s MET 300 CO 0.22 0.31 1.56 -1.71 -0.01 0.00 0.00 175.02 175.39 3koy n ASN 301 N -0.82 2.75 0.00 3.03 5.15 -1.26 -4.86 115.26 119.24 3koy n ASN 301 Ca -0.03 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 3koy n ASN 301 Cb 0.54 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 3koy n ASN 301 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3koy n THR 302 N 3.45 0.00 0.22 -0.44 -2.24 -1.26 -4.89 114.28 109.12 3koy n THR 302 Ca 0.18 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 3koy n THR 302 Cb 0.26 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 3koy n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3koy h LYS 303 N 0.00 -0.59 -1.99 -0.78 3.64 -1.95 -3.29 116.57 111.62 3koy h LYS 303 Ca 0.00 0.04 -0.48 0.00 -1.27 0.00 0.00 60.65 58.94 3koy h LYS 303 Cb 0.00 0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 31.78 3koy h LYS 303 CO 0.00 -0.32 0.36 0.66 -2.27 0.00 0.00 179.45 177.88 3koy n TYR 304 N -5.19 1.52 -4.38 1.91 4.01 -1.26 -4.89 117.16 108.87 3koy n TYR 304 Ca -0.09 -1.92 -0.27 0.00 -0.16 0.00 0.00 57.90 55.47 3koy n TYR 304 Cb 0.28 -1.38 -0.11 0.00 -0.31 0.00 0.00 39.34 37.82 3koy n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3koy s MET 305 N -1.59 1.71 0.00 -0.72 1.75 -1.24 -4.89 119.30 114.31 3koy s MET 305 Ca 0.59 -1.47 0.00 0.00 -1.25 0.00 0.00 55.69 53.56 3koy s MET 305 Cb 0.38 -1.94 0.00 0.00 2.84 0.00 0.00 34.83 36.11 3koy s MET 305 CO -0.21 0.40 0.00 -1.91 -0.65 0.00 0.00 175.02 172.65 3koy n GLU 306 N 0.10 1.70 -0.00 4.11 0.00 -1.26 -4.96 120.64 120.32 3koy n GLU 306 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.14 3koy n GLU 306 Cb 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.88 3koy n GLU 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3koy n ALA 307 N -3.00 3.76 -2.32 4.31 0.00 -1.26 -3.93 120.51 118.07 3koy n ALA 307 Ca 0.00 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 3koy n ALA 307 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 3koy n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3koy s SER 308 N -3.39 6.76 0.38 0.00 0.15 -1.26 -4.82 113.70 111.52 3koy s SER 308 Ca 0.01 1.63 0.15 0.00 0.70 0.00 0.00 55.95 58.44 3koy s SER 308 Cb 0.14 -2.54 0.76 0.00 -1.71 0.00 0.00 66.02 62.66 3koy s SER 308 CO 0.79 -0.94 1.82 0.71 1.20 0.00 0.00 173.24 176.83 3koy h THR 309 N 5.72 1.16 0.78 6.45 1.35 -1.89 -2.92 112.91 123.57 3koy h THR 309 Ca -0.29 -1.31 -0.04 0.00 -0.55 0.00 0.00 66.41 64.22 3koy h THR 309 Cb 1.12 1.73 0.01 0.00 -1.73 0.00 0.00 68.15 69.27 3koy h THR 309 CO 0.99 0.36 -0.39 -0.09 -0.25 0.00 0.00 175.52 176.14 3koy h ARG 310 N 0.00 -1.03 -0.87 4.72 2.43 -1.90 -2.05 114.38 115.68 3koy h ARG 310 Ca -0.00 0.07 0.23 0.00 -0.81 0.00 0.00 59.98 59.46 3koy h ARG 310 Cb 0.70 0.23 -0.15 0.00 -0.42 0.00 0.00 29.97 30.34 3koy h ARG 310 CO 0.05 -0.69 0.15 1.49 -1.51 0.00 0.00 179.97 179.46 3koy h GLU 311 N -1.07 0.14 -0.02 0.20 4.81 -1.93 0.23 114.58 116.94 3koy h GLU 311 Ca -0.11 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 3koy h GLU 311 Cb 0.83 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3koy h GLU 311 CO 0.17 0.09 -0.30 0.00 -0.73 0.00 0.00 179.01 178.24 3koy h ALA 312 N 1.80 1.47 0.08 2.92 0.00 -1.28 -2.54 119.26 121.72 3koy h ALA 312 Ca 0.53 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.89 3koy h ALA 312 Cb 1.05 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3koy h ALA 312 CO -0.70 0.39 -1.14 1.15 0.00 0.00 0.00 179.25 178.95 3koy h THR 313 N 0.02 1.39 0.24 0.00 2.02 0.13 -1.92 112.91 114.79 3koy h THR 313 Ca 0.00 -2.65 -0.01 0.00 0.77 0.00 0.00 66.41 64.52 3koy h THR 313 Cb 0.55 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 3koy h THR 313 CO 0.04 0.79 -0.11 0.58 0.37 0.00 0.00 175.52 177.18 3koy h VAL 314 N 0.19 0.82 -0.58 3.16 2.07 -1.16 -1.99 116.25 118.78 3koy h VAL 314 Ca -0.13 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.00 3koy h VAL 314 Cb 1.81 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 3koy h VAL 314 CO 0.20 0.10 0.38 0.74 0.02 0.00 0.00 177.57 179.01 3koy h THR 315 N -0.55 1.03 0.00 2.57 2.02 -1.50 0.27 112.91 116.75 3koy h THR 315 Ca -0.03 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3koy h THR 315 Cb 0.40 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3koy h THR 315 CO 0.05 0.11 -0.19 0.45 0.37 0.00 0.00 175.52 176.32 3koy h HIS 316 N 0.61 0.00 -0.16 3.16 3.86 -1.02 -0.87 115.15 120.72 3koy h HIS 316 Ca 0.24 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.23 3koy h HIS 316 Cb 0.18 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.66 3koy h HIS 316 CO -0.00 0.19 -0.74 0.28 0.86 0.00 0.00 177.93 178.52 3koy h VAL 317 N 0.00 1.28 0.00 2.45 2.07 -0.20 -1.46 116.25 120.39 3koy h VAL 317 Ca -0.00 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.56 3koy h VAL 317 Cb 0.48 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3koy h VAL 317 CO 0.02 0.62 -0.09 -0.07 0.02 0.00 0.00 177.57 178.07 3koy h LEU 318 N 0.53 0.00 -0.13 2.57 3.38 -0.93 0.32 115.31 121.05 3koy h LEU 318 Ca -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3koy h LEU 318 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3koy h LEU 318 CO 0.15 0.09 -0.34 0.78 0.09 0.00 0.00 178.44 179.22 3koy h ASN 319 N 0.00 0.52 -0.10 -0.43 -0.26 -0.86 -2.40 115.58 112.06 3koy h ASN 319 Ca -0.00 -0.58 -0.04 0.00 -0.56 0.00 0.00 56.30 55.11 3koy h ASN 319 Cb 0.33 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 3koy h ASN 319 CO 0.01 1.01 -0.04 -0.07 -1.06 0.00 0.00 177.43 177.28 3koy h LEU 320 N 0.05 0.31 -0.26 1.61 3.38 -0.59 -2.06 115.31 117.76 3koy h LEU 320 Ca -0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3koy h LEU 320 Cb 0.95 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3koy h LEU 320 CO 0.07 0.41 -0.02 0.25 0.09 0.00 0.00 178.44 179.24 3koy h LEU 321 N 0.33 0.47 -0.41 1.67 5.85 -0.91 -2.29 115.31 120.02 3koy h LEU 321 Ca 0.07 -0.33 0.09 0.00 0.84 0.00 0.00 57.88 58.55 3koy h LEU 321 Cb 0.29 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 3koy h LEU 321 CO 0.01 0.69 -0.17 0.40 -0.34 0.00 0.00 178.44 179.03 3koy h ILE 322 N 0.24 0.46 0.00 4.05 1.08 -1.02 -0.41 117.51 121.91 3koy h ILE 322 Ca 0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.53 3koy h ILE 322 Cb 0.46 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.67 3koy h ILE 322 CO 0.02 0.00 -0.03 0.28 -0.69 0.00 0.00 178.15 177.73 3koy h SER 323 N -0.09 0.00 0.49 1.72 0.02 -1.13 -2.68 113.55 111.88 3koy h SER 323 Ca 0.20 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.85 3koy h SER 323 Cb 0.40 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3koy h SER 323 CO -0.47 0.03 -1.56 0.50 -1.14 0.00 0.00 176.83 174.18 3koy h LYS 324 N 0.00 0.16 0.00 3.45 1.63 -0.56 -2.02 116.57 119.23 3koy h LYS 324 Ca -0.00 -0.27 -0.00 0.00 -0.85 0.00 0.00 60.65 59.52 3koy h LYS 324 Cb 0.06 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.79 3koy h LYS 324 CO 0.00 0.96 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.87 3koy h LEU 325 N 0.04 0.00 0.00 5.20 3.38 -0.95 -3.44 115.31 119.53 3koy h LEU 325 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3koy h LEU 325 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 3koy h LEU 325 CO 0.13 0.02 0.00 0.35 0.09 0.00 0.00 178.44 179.03 3koy n THR 326 N -3.12 0.00 -3.69 0.22 -2.24 -1.03 -4.91 114.28 99.51 3koy n THR 326 Ca -0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3koy n THR 326 Cb 0.28 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.42 3koy n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3koy s ARG 327 N 1.92 0.70 -0.20 -0.78 3.52 -0.78 -5.02 118.95 118.31 3koy s ARG 327 Ca 0.00 0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 55.82 3koy s ARG 327 Cb 0.00 0.33 0.10 0.00 -1.56 0.00 0.00 34.95 33.82 3koy s ARG 327 CO 0.00 -0.17 0.27 0.00 -0.81 0.00 0.00 175.30 174.60 3koy s ALA 328 N -0.65 -0.55 0.07 6.12 0.00 -1.25 -4.86 121.76 120.63 3koy s ALA 328 Ca -0.07 0.55 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 3koy s ALA 328 Cb -0.03 -1.38 -0.27 0.00 0.00 0.00 0.00 23.12 21.44 3koy s ALA 328 CO 0.04 -1.14 1.13 -0.44 0.00 0.00 0.00 175.76 175.35 3koy h ASP 329 N 8.27 0.69 -3.37 0.00 3.32 -1.51 -3.41 116.42 120.40 3koy h ASP 329 Ca -0.17 -0.66 -0.60 0.00 0.02 0.00 0.00 57.03 55.61 3koy h ASP 329 Cb 1.15 -0.22 -0.33 0.00 0.22 0.00 0.00 39.33 40.15 3koy h ASP 329 CO 0.26 1.49 -0.85 -0.63 -1.72 0.00 0.00 179.24 177.79 3koy s ILE 330 N -2.87 1.62 -0.46 0.35 1.01 -0.73 -2.45 121.20 117.65 3koy s ILE 330 Ca -0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 3koy s ILE 330 Cb 0.06 -1.43 0.12 0.00 0.01 0.00 0.00 42.46 41.23 3koy s ILE 330 CO 0.91 0.46 0.24 -1.58 0.00 0.00 0.00 174.94 174.97 3koy s GLN 331 N 0.52 2.03 0.65 2.79 2.00 0.45 0.12 119.66 128.22 3koy s GLN 331 Ca -0.16 -2.11 -0.14 0.00 -2.00 0.00 0.00 55.36 50.94 3koy s GLN 331 Cb -0.17 -3.51 -0.01 0.00 0.80 0.00 0.00 33.01 30.13 3koy s GLN 331 CO 0.06 -1.08 1.08 -1.12 -0.50 0.00 0.00 175.29 173.74 3koy s SER 332 N 1.08 5.32 0.12 6.67 0.01 0.12 -2.05 113.70 124.97 3koy s SER 332 Ca 0.12 1.86 0.06 0.00 1.31 0.00 0.00 55.95 59.30 3koy s SER 332 Cb -0.22 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 3koy s SER 332 CO -0.04 -1.48 -0.14 0.42 0.41 0.00 0.00 173.24 172.40 3koy s THR 333 N -2.54 1.34 -0.07 1.44 -4.23 -0.77 -3.91 115.64 106.90 3koy s THR 333 Ca 0.64 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 3koy s THR 333 Cb -0.18 -1.51 -0.02 0.00 1.34 0.00 0.00 72.50 72.14 3koy s THR 333 CO 0.43 -0.39 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.30 3koy s ILE 334 N -2.03 2.54 0.21 2.99 -1.09 -1.26 -4.56 121.20 117.99 3koy s ILE 334 Ca 0.08 -0.89 -0.30 0.00 -2.23 0.00 0.00 60.65 57.31 3koy s ILE 334 Cb -0.05 -1.98 -0.09 0.00 -1.58 0.00 0.00 42.46 38.75 3koy s ILE 334 CO 0.03 0.57 1.38 0.42 -1.23 0.00 0.00 174.94 176.10 3koy s THR 335 N -0.20 2.99 -0.81 2.92 -4.23 -1.26 -4.74 115.64 110.32 3koy s THR 335 Ca -0.01 0.81 0.11 0.00 -1.18 0.00 0.00 61.69 61.41 3koy s THR 335 Cb -0.13 -3.52 0.10 0.00 1.34 0.00 0.00 72.50 70.29 3koy s THR 335 CO 0.03 0.12 1.34 -2.65 -0.54 0.00 0.00 174.62 172.92 3koy n PRO 336 N 2.72 0.05 -0.27 3.99 -0.02 -1.26 -0.40 135.00 139.80 3koy n PRO 336 Ca 0.07 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3koy n PRO 336 Cb 0.42 -1.62 0.27 0.00 -0.02 0.00 0.00 33.50 32.54 3koy n PRO 336 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3koy n ASP 337 N -1.71 3.69 0.27 2.55 5.75 -1.26 -4.25 116.55 121.58 3koy n ASP 337 Ca 0.01 -2.00 0.18 0.00 -0.01 0.00 0.00 54.79 52.98 3koy n ASP 337 Cb 0.09 -0.36 0.94 0.00 -1.03 0.00 0.00 41.12 40.75 3koy n ASP 337 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3koy h GLU 338 N 4.41 0.00 -0.60 0.11 4.22 -0.93 0.71 114.58 122.50 3koy h GLU 338 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3koy h GLU 338 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3koy h GLU 338 CO 0.00 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.24 3koy n GLY 339 N -1.28 2.93 0.00 1.92 0.00 -1.25 -4.26 105.19 103.25 3koy n GLY 339 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3koy n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3koy n ARG 340 N 0.76 2.98 -3.29 1.61 0.63 0.19 -4.10 116.66 115.43 3koy n ARG 340 Ca 0.28 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 3koy n ARG 340 Cb 1.14 -0.68 0.00 0.00 0.45 0.00 0.00 32.46 33.37 3koy n ARG 340 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3koy n ASN 341 N -0.72 0.00 -4.77 6.15 6.94 -0.90 -4.97 115.26 116.99 3koy n ASN 341 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 54.58 54.17 3koy n ASN 341 Cb 0.06 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.46 3koy n ASN 341 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3koy s VAL 342 N -2.06 3.10 0.29 3.53 1.01 -1.26 -4.38 120.40 120.63 3koy s VAL 342 Ca 0.00 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 3koy s VAL 342 Cb 0.00 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.67 3koy s VAL 342 CO 0.00 0.15 1.50 -2.65 0.00 0.00 0.00 175.10 174.09 3koy n PRO 343 N 0.40 2.44 -3.59 2.72 -0.02 -1.26 -4.99 135.00 130.70 3koy n PRO 343 Ca 0.03 0.87 -0.25 0.00 -2.02 0.00 0.00 63.50 62.12 3koy n PRO 343 Cb 0.45 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 3koy n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3koy s TRP 344 N -0.27 3.48 0.19 6.00 0.51 -1.26 -4.76 118.94 122.83 3koy s TRP 344 Ca 0.63 0.32 -0.21 0.00 -2.12 0.00 0.00 56.10 54.72 3koy s TRP 344 Cb -0.55 -1.85 0.11 0.00 -0.81 0.00 0.00 33.47 30.38 3koy s TRP 344 CO 0.52 0.28 1.45 0.72 -0.51 0.00 0.00 176.95 179.41 3koy n HIS 345 N -1.19 -0.14 0.27 -1.98 8.25 -0.45 -1.31 115.22 118.66 3koy n HIS 345 Ca -0.05 1.16 0.15 0.00 -0.26 0.00 0.00 57.72 58.71 3koy n HIS 345 Cb 0.55 -0.74 0.73 0.00 1.12 0.00 0.00 29.99 31.65 3koy n HIS 345 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3koy h ILE 346 N 0.00 0.36 0.00 1.59 3.07 -1.94 -2.65 117.51 117.93 3koy h ILE 346 Ca 0.26 -0.57 -0.06 0.00 1.55 0.00 0.00 64.86 66.03 3koy h ILE 346 Cb 0.49 1.42 -0.01 0.00 -0.27 0.00 0.00 36.82 38.45 3koy h ILE 346 CO -0.91 0.09 -1.14 1.88 -1.05 0.00 0.00 178.15 177.03 3koy h TYR 347 N 0.00 0.00 -0.94 0.16 0.05 -1.59 -0.87 116.97 113.78 3koy h TYR 347 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3koy h TYR 347 Cb 0.41 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.11 3koy h TYR 347 CO 0.00 0.22 0.55 -0.91 -1.05 0.00 0.00 178.16 176.97 3koy h ASN 348 N 0.00 1.14 0.71 3.88 4.21 -1.09 -1.62 115.58 122.80 3koy h ASN 348 Ca -0.06 -0.08 -0.18 0.00 1.21 0.00 0.00 56.30 57.19 3koy h ASN 348 Cb 1.22 -0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 38.11 3koy h ASN 348 CO 0.02 0.89 -0.82 0.40 -1.29 0.00 0.00 177.43 176.62 3koy h ILE 349 N 1.30 1.54 0.41 2.81 5.03 -1.50 -0.94 117.51 126.16 3koy h ILE 349 Ca 0.33 -2.68 -0.02 0.00 -0.12 0.00 0.00 64.86 62.38 3koy h ILE 349 Cb -0.03 2.46 -0.00 0.00 -3.03 0.00 0.00 36.82 36.22 3koy h ILE 349 CO -0.06 0.77 -0.23 -0.33 -0.68 0.00 0.00 178.15 177.62 3koy h GLU 350 N 0.04 -0.58 -0.01 2.37 5.08 -1.06 -0.36 114.58 120.07 3koy h GLU 350 Ca -0.02 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3koy h GLU 350 Cb 1.44 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.77 3koy h GLU 350 CO 0.11 -0.38 -0.47 0.00 -1.00 0.00 0.00 179.01 177.27 3koy h ALA 351 N -0.02 -0.89 -0.87 3.43 0.00 -1.18 0.67 119.26 120.40 3koy h ALA 351 Ca -0.05 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 54.99 3koy h ALA 351 Cb 0.48 0.90 -0.12 0.00 0.00 0.00 0.00 17.79 19.05 3koy h ALA 351 CO 0.07 -1.03 0.37 0.00 0.00 0.00 0.00 179.25 178.66 3koy h ASP 353 N 0.40 -0.74 -0.83 0.00 3.32 -0.12 -2.57 116.42 115.89 3koy h ASP 353 Ca 0.53 -0.01 0.21 0.00 0.02 0.00 0.00 57.03 57.78 3koy h ASP 353 Cb 0.98 0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 3koy h ASP 353 CO -0.51 -0.46 0.10 0.74 -1.72 0.00 0.00 179.24 177.40 3koy h THR 354 N -0.98 0.30 -0.07 0.35 2.02 -0.27 0.68 112.91 114.93 3koy h THR 354 Ca -0.09 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 3koy h THR 354 Cb 0.70 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3koy h THR 354 CO 0.15 0.03 -0.31 0.00 0.37 0.00 0.00 175.52 175.75 3koy h ALA 355 N 1.77 0.14 -0.67 6.16 0.00 -1.36 -1.09 119.26 124.20 3koy h ALA 355 Ca 0.49 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3koy h ALA 355 Cb 0.94 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3koy h ALA 355 CO -0.69 0.18 0.34 -0.22 0.00 0.00 0.00 179.25 178.86 3koy h LYS 356 N -0.15 0.94 -0.25 0.00 3.64 -1.01 -2.86 116.57 116.88 3koy h LYS 356 Ca -0.02 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 3koy h LYS 356 Cb 0.96 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3koy h LYS 356 CO 0.07 0.72 -0.14 0.37 -2.27 0.00 0.00 179.45 178.19 3koy h GLN 357 N 0.94 0.53 -0.03 1.90 4.15 0.70 -2.37 115.11 120.93 3koy h GLN 357 Ca 0.23 -0.24 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 3koy h GLN 357 Cb 0.07 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.76 3koy h GLN 357 CO -0.03 0.80 -0.42 0.00 -1.93 0.00 0.00 178.83 177.25 3koy h ALA 358 N 0.72 0.10 -0.57 3.38 0.00 -1.26 -2.30 119.26 119.32 3koy h ALA 358 Ca 0.05 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.49 3koy h ALA 358 Cb 0.65 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3koy h ALA 358 CO 0.04 0.24 0.35 -0.07 0.00 0.00 0.00 179.25 179.81 3koy h LEU 359 N -0.18 0.56 -0.66 0.00 3.38 -1.61 0.60 115.31 117.41 3koy h LEU 359 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3koy h LEU 359 Cb 1.12 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3koy h LEU 359 CO 0.09 0.39 0.24 0.40 0.09 0.00 0.00 178.44 179.65 3koy h ILE 360 N 0.68 1.24 0.00 1.22 1.08 -1.48 0.23 117.51 120.49 3koy h ILE 360 Ca 0.23 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 3koy h ILE 360 Cb 0.03 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 3koy h ILE 360 CO -0.10 0.31 0.00 1.23 -0.69 0.00 0.00 178.15 178.90 3koy h GLY 361 N 0.94 0.00 -2.72 5.37 0.00 -0.76 -1.07 103.07 104.84 3koy h GLY 361 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3koy h GLY 361 CO -0.01 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.56 3koy n MET 362 N -2.95 2.99 -1.70 4.80 2.81 0.13 -4.99 117.12 118.22 3koy n MET 362 Ca -0.02 -2.70 -0.60 0.00 -1.81 0.00 0.00 57.70 52.58 3koy n MET 362 Cb 0.14 -1.64 -0.08 0.00 -0.71 0.00 0.00 33.22 30.93 3koy n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3koy n ASP 363 N 1.46 1.90 -3.15 7.83 2.03 -0.41 -1.06 116.55 125.15 3koy n ASP 363 Ca 0.24 1.11 -0.23 0.00 0.52 0.00 0.00 54.79 56.44 3koy n ASP 363 Cb 0.68 -1.07 0.03 0.00 -0.72 0.00 0.00 41.12 40.04 3koy n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3koy n GLY 364 N 3.83 -0.52 0.16 0.27 0.00 -1.26 -4.86 105.19 102.81 3koy n GLY 364 Ca 0.26 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.46 3koy n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3koy h LEU 365 N -1.45 0.00 0.00 0.99 5.85 -1.49 -2.88 115.31 116.34 3koy h LEU 365 Ca -0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3koy h LEU 365 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3koy h LEU 365 CO 0.57 0.43 0.00 0.23 -0.34 0.00 0.00 178.44 179.33 3koy n MET 366 N -3.31 0.23 0.21 1.25 2.81 -1.26 -1.90 117.12 115.14 3koy n MET 366 Ca 0.01 0.02 0.14 0.00 -1.81 0.00 0.00 57.70 56.07 3koy n MET 366 Cb 0.64 -1.50 0.51 0.00 -0.71 0.00 0.00 33.22 32.16 3koy n MET 366 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3koy h ASP 367 N 0.00 0.00 -0.00 7.83 3.32 -1.90 -3.33 116.42 122.35 3koy h ASP 367 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3koy h ASP 367 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3koy h ASP 367 CO 0.00 0.00 -0.01 0.23 -1.72 0.00 0.00 179.24 177.74 3koy n MET 368 N -2.77 3.77 -3.91 3.56 2.81 -0.80 -5.02 117.12 114.76 3koy n MET 368 Ca 0.02 -0.21 -0.11 0.00 -1.81 0.00 0.00 57.70 55.60 3koy n MET 368 Cb 0.34 -0.71 -0.12 0.00 -0.71 0.00 0.00 33.22 32.02 3koy n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3koy s VAL 369 N -0.62 0.06 0.07 2.03 1.01 -0.80 -5.13 120.40 117.02 3koy s VAL 369 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3koy s VAL 369 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 3koy s VAL 369 CO 0.01 -0.26 0.03 0.00 0.00 0.00 0.00 175.10 174.88 3koy s GLN 370 N -0.79 0.72 0.15 2.72 -2.07 -1.26 -4.46 119.66 114.66 3koy s GLN 370 Ca -0.09 -1.20 -0.30 0.00 -1.82 0.00 0.00 55.36 51.95 3koy s GLN 370 Cb -0.05 0.25 -0.07 0.00 -1.09 0.00 0.00 33.01 32.04 3koy s GLN 370 CO -0.00 -0.17 1.08 -0.51 -1.32 0.00 0.00 175.29 174.37 3koy s LEU 371 N -2.93 4.47 -1.31 2.60 1.43 -1.26 -4.94 118.68 116.74 3koy s LEU 371 Ca 0.09 2.01 -0.17 0.00 -1.03 0.00 0.00 54.13 55.04 3koy s LEU 371 Cb 0.07 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.72 3koy s LEU 371 CO -0.08 -0.22 1.97 0.29 0.23 0.00 0.00 176.35 178.53 3koy n LYS 372 N 2.69 2.79 0.22 1.70 5.02 -1.26 -4.77 118.16 124.55 3koy n LYS 372 Ca 0.03 -2.83 0.15 0.00 -2.02 0.00 0.00 58.31 53.65 3koy n LYS 372 Cb 0.47 -3.39 0.66 0.00 -0.02 0.00 0.00 35.03 32.75 3koy n LYS 372 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3koy h ARG 373 N 7.13 0.00 -4.40 1.97 9.65 -1.97 -3.37 114.38 123.39 3koy h ARG 373 Ca 0.48 0.00 -0.72 0.00 -1.10 0.00 0.00 59.98 58.64 3koy h ARG 373 Cb 0.77 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 29.06 3koy h ARG 373 CO 1.66 0.00 -0.44 -1.21 2.80 0.00 0.00 179.97 182.77 3koy s GLU 374 N -3.57 2.54 0.00 0.20 0.41 -1.26 -2.10 118.70 114.92 3koy s GLU 374 Ca 0.01 -1.58 0.00 0.00 -0.41 0.00 0.00 54.97 53.00 3koy s GLU 374 Cb 0.09 -3.83 0.00 0.00 -1.78 0.00 0.00 34.13 28.62 3koy s GLU 374 CO 0.45 -1.04 0.00 0.41 -0.49 0.00 0.00 175.26 174.58 3koy n GLY 375 N 4.91 -0.22 0.32 -1.39 0.00 -1.26 -4.91 105.19 102.64 3koy n GLY 375 Ca -0.09 -1.13 0.07 0.00 0.00 0.00 0.00 46.02 44.87 3koy n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3koy h VAL 376 N 0.00 0.76 0.46 1.61 3.04 -1.92 -2.17 116.25 118.03 3koy h VAL 376 Ca 0.00 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.45 3koy h VAL 376 Cb 0.00 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.28 3koy h VAL 376 CO 0.00 0.12 -0.44 0.25 -1.01 0.00 0.00 177.57 176.50 3koy h LEU 377 N 0.68 -1.19 -1.87 3.16 5.85 -1.86 -1.81 115.31 118.27 3koy h LEU 377 Ca 0.47 0.10 0.07 0.00 0.84 0.00 0.00 57.88 59.36 3koy h LEU 377 Cb 0.63 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3koy h LEU 377 CO -0.34 -0.60 0.25 1.23 -0.34 0.00 0.00 178.44 178.63 3koy h GLY 378 N -0.91 0.20 0.89 3.75 0.00 -1.08 -1.77 103.07 104.15 3koy h GLY 378 Ca -0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 3koy h GLY 378 CO -0.05 0.05 -0.07 -0.55 0.00 0.00 0.00 176.54 175.91 3koy h ASP 379 N 0.16 0.57 -0.31 0.19 3.32 -0.74 -2.51 116.42 117.10 3koy h ASP 379 Ca 0.16 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 56.71 3koy h ASP 379 Cb 0.44 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3koy h ASP 379 CO -0.02 0.81 -0.35 0.74 -1.72 0.00 0.00 179.24 178.69 3koy h THR 380 N 0.33 1.29 -0.83 0.35 2.02 -0.91 -2.02 112.91 113.13 3koy h THR 380 Ca 0.07 -1.53 0.19 0.00 0.77 0.00 0.00 66.41 65.92 3koy h THR 380 Cb 0.55 1.55 -0.12 0.00 -1.74 0.00 0.00 68.15 68.40 3koy h THR 380 CO 0.03 0.50 0.31 0.58 0.37 0.00 0.00 175.52 177.30 3koy h VAL 381 N 0.55 0.50 0.01 3.16 2.07 -1.27 0.18 116.25 121.45 3koy h VAL 381 Ca 0.04 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3koy h VAL 381 Cb 0.94 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3koy h VAL 381 CO 0.09 0.06 -0.00 -0.09 0.02 0.00 0.00 177.57 177.65 3koy h ARG 382 N 0.36 -0.01 -0.60 1.57 9.65 -1.31 -2.74 114.38 121.30 3koy h ARG 382 Ca 0.50 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.50 3koy h ARG 382 Cb 0.90 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.38 3koy h ARG 382 CO -0.52 0.39 -0.09 1.49 2.80 0.00 0.00 179.97 184.05 3koy h GLU 383 N -0.41 0.04 -0.64 0.20 4.81 -0.54 -0.40 114.58 117.64 3koy h GLU 383 Ca -0.00 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3koy h GLU 383 Cb 0.40 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3koy h GLU 383 CO 0.00 0.03 0.04 -0.07 -0.73 0.00 0.00 179.01 178.28 3koy h LEU 384 N 0.04 1.06 -0.06 1.64 3.38 -1.03 0.73 115.31 121.07 3koy h LEU 384 Ca 0.30 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3koy h LEU 384 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3koy h LEU 384 CO -0.57 1.08 -0.05 0.11 0.09 0.00 0.00 178.44 179.09 3koy h LYS 385 N 1.01 -0.07 -0.64 1.13 1.57 -1.05 -0.56 116.57 117.96 3koy h LYS 385 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3koy h LYS 385 Cb 0.52 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 3koy h LYS 385 CO 0.02 -0.05 0.42 0.93 -0.57 0.00 0.00 179.45 180.21 3koy h GLU 386 N -0.07 0.85 -0.79 3.15 5.08 -0.59 0.90 114.58 123.12 3koy h GLU 386 Ca 0.04 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3koy h GLU 386 Cb 0.13 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3koy h GLU 386 CO -0.10 0.58 0.52 0.00 -1.00 0.00 0.00 179.01 179.01 3koy h ARG 387 N 0.87 1.03 -0.22 2.33 3.08 -0.68 -0.55 114.38 120.24 3koy h ARG 387 Ca 0.23 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3koy h ARG 387 Cb -0.08 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 3koy h ARG 387 CO -0.05 0.68 0.04 0.00 -1.07 0.00 0.00 179.97 179.57 3koy h ALA 388 N 1.51 0.29 -0.83 0.04 0.00 -0.19 -2.33 119.26 117.75 3koy h ALA 388 Ca 0.29 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3koy h ALA 388 Cb -0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 3koy h ALA 388 CO -0.07 -0.03 0.52 0.28 0.00 0.00 0.00 179.25 179.95 3koy h VAL 389 N 0.17 1.08 0.06 0.00 2.07 -0.55 -2.44 116.25 116.63 3koy h VAL 389 Ca 0.07 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3koy h VAL 389 Cb 0.32 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3koy h VAL 389 CO 0.00 0.18 -0.04 -0.07 0.02 0.00 0.00 177.57 177.66 3koy h LEU 390 N 0.98 -0.10 -0.95 2.57 3.38 -1.06 -2.21 115.31 117.92 3koy h LEU 390 Ca 0.35 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.56 3koy h LEU 390 Cb 0.10 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 3koy h LEU 390 CO -0.15 -0.07 0.50 0.15 0.09 0.00 0.00 178.44 178.96 3koy h PHE 391 N -0.10 0.84 -0.29 1.13 -0.00 -1.09 0.12 116.94 117.54 3koy h PHE 391 Ca -0.01 0.04 -0.06 0.00 -0.00 0.00 0.00 57.97 57.95 3koy h PHE 391 Cb 0.09 -0.22 -0.01 0.00 -0.00 0.00 0.00 35.95 35.81 3koy h PHE 391 CO -0.08 -0.00 -0.04 0.52 -0.00 0.00 0.00 178.31 178.71 3koy h MET 392 N 0.48 0.54 -0.29 1.11 2.86 -1.21 -2.65 114.93 115.78 3koy h MET 392 Ca 0.61 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 58.08 3koy h MET 392 Cb 1.17 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 3koy h MET 392 CO -0.51 0.72 0.12 0.93 1.06 0.00 0.00 176.91 179.23 3koy h GLU 393 N 0.32 0.25 0.00 1.72 5.08 -0.22 -0.65 114.58 121.08 3koy h GLU 393 Ca 0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3koy h GLU 393 Cb 0.50 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3koy h GLU 393 CO 0.02 0.16 -0.03 1.49 -1.00 0.00 0.00 179.01 179.65 3koy h GLU 394 N 0.25 0.00 0.36 2.33 4.81 -1.08 0.19 114.58 121.45 3koy h GLU 394 Ca 0.13 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3koy h GLU 394 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3koy h GLU 394 CO -0.12 0.03 -0.17 0.82 -0.73 0.00 0.00 179.01 178.84 3koy h ILE 395 N 0.00 0.36 -0.88 2.32 2.04 -0.91 -2.03 117.51 118.42 3koy h ILE 395 Ca -0.00 -0.70 0.17 0.00 1.00 0.00 0.00 64.86 65.33 3koy h ILE 395 Cb 0.06 0.58 -0.16 0.00 -0.74 0.00 0.00 36.82 36.55 3koy h ILE 395 CO 0.00 0.08 -0.23 -0.38 0.00 0.00 0.00 178.15 177.62 3koy n ILE 396 N -5.12 -0.38 -0.20 -0.67 5.41 -0.35 -2.02 119.36 116.03 3koy n ILE 396 Ca -0.08 2.02 -0.09 0.00 1.00 0.00 0.00 62.75 65.60 3koy n ILE 396 Cb 0.26 -2.78 0.02 0.00 -0.71 0.00 0.00 39.64 36.43 3koy n ILE 396 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3koy h GLU 397 N 0.00 0.96 -0.14 0.38 4.81 -0.50 -1.81 114.58 118.28 3koy h GLU 397 Ca 0.41 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3koy h GLU 397 Cb 0.63 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3koy h GLU 397 CO -0.90 0.93 0.00 0.00 -0.73 0.00 0.00 179.01 178.30 3koy n ALA 398 N -2.44 2.49 -1.22 2.92 0.00 -0.77 -4.86 120.51 116.64 3koy n ALA 398 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3koy n ALA 398 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3koy n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3koy n GLY 399 N 0.42 1.04 0.00 0.00 0.00 -0.68 -4.59 105.19 101.39 3koy n GLY 399 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3koy n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 400 N -0.53 -3.88 0.20 -0.02 0.00 -0.86 -4.51 105.19 95.60 3koy n GLY 400 Ca 0.00 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 43.83 3koy n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3koy h TYR 401 N 0.00 -0.65 -0.82 1.61 3.20 -1.95 -2.45 116.97 115.90 3koy h TYR 401 Ca 0.00 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.09 3koy h TYR 401 Cb 0.00 0.28 -0.14 0.00 1.54 0.00 0.00 36.73 38.40 3koy h TYR 401 CO 0.00 -0.25 0.05 0.74 -1.64 0.00 0.00 178.16 177.06 3koy h PHE 402 N -0.32 0.02 -0.21 -3.82 0.04 -1.98 0.55 116.94 111.22 3koy h PHE 402 Ca -0.00 0.06 -0.17 0.00 2.80 0.00 0.00 57.97 60.65 3koy h PHE 402 Cb 0.32 0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 3koy h PHE 402 CO -0.36 -0.27 -0.57 -0.91 -0.60 0.00 0.00 178.31 175.61 3koy h ASN 403 N 0.11 0.74 -0.23 2.17 2.35 -1.77 -1.71 115.58 117.23 3koy h ASN 403 Ca 0.47 -0.40 0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3koy h ASN 403 Cb 0.88 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.98 3koy h ASN 403 CO -0.71 1.15 -0.13 0.00 -1.65 0.00 0.00 177.43 176.09 3koy h ALA 404 N 0.86 0.05 0.02 -0.83 0.00 -0.43 -0.54 119.26 118.39 3koy h ALA 404 Ca 0.01 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3koy h ALA 404 Cb 1.14 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3koy h ALA 404 CO 0.11 -0.55 -0.08 0.28 0.00 0.00 0.00 179.25 179.02 3koy h VAL 405 N -0.11 0.81 -0.62 0.00 2.07 -0.87 -2.36 116.25 115.16 3koy h VAL 405 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3koy h VAL 405 Cb 0.31 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 3koy h VAL 405 CO -0.31 0.00 0.22 -0.33 0.02 0.00 0.00 177.57 177.17 3koy h GLU 406 N -0.14 0.37 0.00 1.57 5.08 -1.14 0.20 114.58 120.52 3koy h GLU 406 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3koy h GLU 406 Cb 0.17 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3koy h GLU 406 CO -0.07 0.25 0.00 1.04 -1.00 0.00 0.00 179.01 179.23 3koy n GLN 407 N -5.02 0.63 -2.46 2.33 6.02 -0.23 -4.40 117.38 114.26 3koy n GLN 407 Ca 0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 3koy n GLN 407 Cb 0.30 -1.22 0.01 0.00 1.02 0.00 0.00 30.24 30.34 3koy n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3koy n GLY 408 N 0.19 -0.01 0.27 1.08 0.00 0.69 -4.92 105.19 102.48 3koy n GLY 408 Ca 0.07 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.86 3koy n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3koy h PHE 409 N -0.41 0.00 -2.81 1.61 -1.00 -1.60 -3.39 116.94 109.35 3koy h PHE 409 Ca -0.27 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.92 3koy h PHE 409 Cb 1.19 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.71 3koy h PHE 409 CO 0.28 0.09 -0.51 -0.06 -1.61 0.00 0.00 178.31 176.51 3koy s PHE 410 N -4.35 3.44 -1.28 -0.55 0.08 -1.26 -4.35 117.98 109.69 3koy s PHE 410 Ca -0.04 0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.17 3koy s PHE 410 Cb 0.14 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 3koy s PHE 410 CO 0.58 0.55 0.13 0.28 -0.10 0.00 0.00 175.22 176.66 3koy n VAL 411 N -0.02 -0.95 -3.58 -0.44 0.31 -1.26 -1.31 118.33 111.08 3koy n VAL 411 Ca -0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.90 3koy n VAL 411 Cb 0.52 -2.49 -0.08 0.00 -0.91 0.00 0.00 33.84 30.88 3koy n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3koy s ASP 412 N -2.43 6.33 0.00 4.52 2.15 -1.26 -3.59 116.67 122.39 3koy s ASP 412 Ca 0.06 0.38 0.15 0.00 0.43 0.00 0.00 52.55 53.58 3koy s ASP 412 Cb -0.03 -2.16 0.92 0.00 -0.30 0.00 0.00 42.92 41.35 3koy s ASP 412 CO 0.08 0.09 1.35 -1.54 -0.17 0.00 0.00 175.17 174.98 3koy n SER 413 N 3.80 0.00 -4.88 -0.34 3.41 -1.26 -4.77 113.62 109.58 3koy n SER 413 Ca -0.13 -0.72 -0.30 0.00 -0.26 0.00 0.00 58.87 57.46 3koy n SER 413 Cb 0.52 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3koy n SER 413 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3koy s GLY 414 N -1.88 1.66 -1.00 5.00 0.00 -1.26 -4.80 107.32 105.04 3koy s GLY 414 Ca 0.23 -0.22 -0.17 0.00 0.00 0.00 0.00 44.72 44.56 3koy s GLY 414 CO 0.18 0.01 1.19 -0.47 0.00 0.00 0.00 173.10 174.01 3koy s TYR 415 N -2.92 3.25 0.36 1.90 5.04 -1.25 -4.72 117.35 119.01 3koy s TYR 415 Ca 0.52 -1.62 -0.24 0.00 -2.44 0.00 0.00 57.07 53.30 3koy s TYR 415 Cb -0.11 -4.27 -0.14 0.00 0.35 0.00 0.00 41.96 37.80 3koy s TYR 415 CO 0.47 -1.44 0.60 0.98 -1.34 0.00 0.00 175.55 174.82 3koy n TYR 416 N 6.19 -0.26 0.29 4.97 9.36 -1.26 -1.75 117.16 134.71 3koy n TYR 416 Ca 0.27 0.68 0.17 0.00 3.32 0.00 0.00 57.90 62.33 3koy n TYR 416 Cb 0.47 -2.02 0.83 0.00 -0.63 0.00 0.00 39.34 37.99 3koy n TYR 416 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3koy h PRO 417 N 1.02 0.00 -6.51 2.98 0.11 -1.95 -3.47 132.00 124.18 3koy h PRO 417 Ca -0.38 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.13 3koy h PRO 417 Cb 1.40 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.59 3koy h PRO 417 CO 0.54 0.00 0.52 -1.91 -0.21 0.00 0.00 178.00 176.94 3koy n GLU 418 N -3.07 1.79 -3.67 1.05 2.13 -0.71 -5.00 120.64 113.16 3koy n GLU 418 Ca -0.00 0.64 -0.28 0.00 0.66 0.00 0.00 57.16 58.17 3koy n GLU 418 Cb 0.40 -2.25 -0.16 0.00 0.27 0.00 0.00 31.44 29.70 3koy n GLU 418 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3koy s ARG 419 N -0.35 0.46 0.00 5.31 3.52 -1.26 -3.91 118.95 122.72 3koy s ARG 419 Ca 0.70 -0.53 0.30 0.00 -0.13 0.00 0.00 55.73 56.07 3koy s ARG 419 Cb -0.71 -1.82 1.51 0.00 -1.56 0.00 0.00 34.95 32.37 3koy s ARG 419 CO 0.50 -0.81 2.05 0.09 -0.81 0.00 0.00 175.30 176.32 3koy n ASN 420 N 5.09 0.00 -1.51 -2.12 3.02 -1.26 -4.92 115.26 113.57 3koy n ASN 420 Ca -0.06 -0.10 -0.13 0.00 -0.03 0.00 0.00 54.58 54.25 3koy n ASN 420 Cb 0.45 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 3koy n ASN 420 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3koy n GLY 421 N 1.30 -0.15 0.00 7.41 0.00 -1.26 -4.89 105.19 107.60 3koy n GLY 421 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3koy n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3koy n ASP 422 N -0.53 1.91 -4.70 1.61 5.75 -1.26 -5.06 116.55 114.28 3koy n ASP 422 Ca -0.16 -1.97 -0.29 0.00 -0.01 0.00 0.00 54.79 52.36 3koy n ASP 422 Cb 0.62 -0.01 0.16 0.00 -1.03 0.00 0.00 41.12 40.86 3koy n ASP 422 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3koy s GLY 423 N -0.98 1.57 0.21 6.12 0.00 -1.24 -4.78 107.32 108.22 3koy s GLY 423 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.93 3koy s GLY 423 CO 0.00 0.10 1.24 -0.42 0.00 0.00 0.00 173.10 174.03 3koy s ILE 424 N -3.16 3.33 -0.05 0.90 -1.09 -0.42 -4.91 121.20 115.81 3koy s ILE 424 Ca 0.65 1.15 0.05 0.00 -2.23 0.00 0.00 60.65 60.27 3koy s ILE 424 Cb -0.16 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 3koy s ILE 424 CO 0.55 0.20 -0.21 0.00 -1.23 0.00 0.00 174.94 174.25 3koy s ALA 425 N -0.21 1.84 0.00 9.38 0.00 -1.26 -4.30 121.76 127.21 3koy s ALA 425 Ca 0.53 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.68 3koy s ALA 425 Cb -0.35 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3koy s ALA 425 CO 0.39 0.36 -0.20 1.03 0.00 0.00 0.00 175.76 177.34 3koy s ARG 426 N -0.12 2.16 0.03 0.00 1.81 -1.22 -4.97 118.95 116.63 3koy s ARG 426 Ca -0.02 -0.91 -0.30 0.00 -1.72 0.00 0.00 55.73 52.77 3koy s ARG 426 Cb -0.12 -2.18 -0.05 0.00 -0.45 0.00 0.00 34.95 32.16 3koy s ARG 426 CO 0.02 0.56 1.16 -0.65 -0.68 0.00 0.00 175.30 175.72 3koy s GLN 427 N -1.04 4.44 0.00 3.54 1.11 -1.26 -3.63 119.66 122.82 3koy s GLN 427 Ca 0.12 1.69 0.07 0.00 0.01 0.00 0.00 55.36 57.26 3koy s GLN 427 Cb -0.10 -3.41 0.44 0.00 -1.01 0.00 0.00 33.01 28.93 3koy s GLN 427 CO 0.02 -0.26 0.89 1.51 0.01 0.00 0.00 175.29 177.46 3koy n ILE 428 N 4.06 0.00 -1.02 1.08 3.06 -1.26 -1.60 119.36 123.69 3koy n ILE 428 Ca 0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.34 3koy n ILE 428 Cb 0.47 -0.85 0.00 0.00 0.54 0.00 0.00 39.64 39.80 3koy n ILE 428 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 3koy n ASN 429 N -0.97 0.00 -2.23 9.51 6.94 -1.26 -4.64 115.26 122.61 3koy n ASN 429 Ca 0.06 -1.00 -0.02 0.00 -0.02 0.00 0.00 54.58 53.60 3koy n ASN 429 Cb 0.03 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 3koy n ASN 429 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3koy n GLY 430 N 0.00 2.05 0.00 4.83 0.00 -0.62 -4.75 105.19 106.70 3koy n GLY 430 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 3koy n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 431 N 4.45 0.19 3.69 -0.02 0.00 -1.26 -4.11 105.19 108.13 3koy n GLY 431 Ca 0.01 -1.74 -0.51 0.00 0.00 0.00 0.00 46.02 43.78 3koy n GLY 431 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3koy n ILE 432 N 0.32 0.43 -1.05 -0.61 2.08 -0.61 -1.90 119.36 118.02 3koy n ILE 432 Ca 0.00 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.23 3koy n ILE 432 Cb 0.00 -1.61 0.00 0.00 -0.75 0.00 0.00 39.64 37.28 3koy n ILE 432 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3koy n GLY 433 N 4.20 0.70 3.76 7.39 0.00 -1.26 -0.78 105.19 119.20 3koy n GLY 433 Ca 0.23 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 3koy n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy s ALA 434 N -2.00 3.47 -1.02 4.61 0.00 -0.80 -3.11 121.76 122.92 3koy s ALA 434 Ca 0.00 1.10 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 3koy s ALA 434 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3koy s ALA 434 CO 0.00 -0.46 0.70 0.41 0.00 0.00 0.00 175.76 176.42 3koy n GLY 435 N 1.41 -0.14 0.64 0.00 0.00 -1.26 -4.91 105.19 100.93 3koy n GLY 435 Ca 0.02 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.04 3koy n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3koy n THR 436 N -4.25 2.05 -4.15 2.61 -2.24 -1.18 -5.00 114.28 102.11 3koy n THR 436 Ca -0.02 -3.05 -0.34 0.00 -2.27 0.00 0.00 64.05 58.36 3koy n THR 436 Cb 0.56 -0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.49 3koy n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3koy s VAL 437 N -3.01 3.30 -0.03 2.28 1.01 -1.26 -4.97 120.40 117.73 3koy s VAL 437 Ca 0.37 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3koy s VAL 437 Cb 0.37 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3koy s VAL 437 CO -0.07 0.46 -0.17 -0.36 0.00 0.00 0.00 175.10 174.95 3koy s PHE 438 N 1.11 2.61 0.09 5.22 0.08 -1.26 -5.11 117.98 120.73 3koy s PHE 438 Ca 0.01 -0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 3koy s PHE 438 Cb -0.15 -1.57 -0.06 0.00 -0.57 0.00 0.00 43.02 40.67 3koy s PHE 438 CO -0.01 0.16 1.18 -2.00 -0.10 0.00 0.00 175.22 174.45 3koy s GLU 439 N -0.86 4.46 0.17 0.44 2.12 -1.26 -5.02 118.70 118.75 3koy s GLU 439 Ca 0.12 1.77 -0.30 0.00 0.36 0.00 0.00 54.97 56.92 3koy s GLU 439 Cb -0.10 -3.33 -0.07 0.00 0.26 0.00 0.00 34.13 30.89 3koy s GLU 439 CO 0.01 -0.19 0.95 1.03 -0.54 0.00 0.00 175.26 176.52 3koy s ARG 440 N 0.71 4.77 0.44 4.30 0.52 -1.26 -5.06 118.95 123.37 3koy s ARG 440 Ca 0.57 1.47 -0.00 0.00 -0.52 0.00 0.00 55.73 57.24 3koy s ARG 440 Cb -0.30 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 31.83 3koy s ARG 440 CO 0.31 0.36 0.66 -0.51 0.02 0.00 0.00 175.30 176.14 3koy s ASP 441 N -0.55 5.94 0.32 0.23 1.01 -1.26 -4.94 116.67 117.42 3koy s ASP 441 Ca 0.44 0.37 0.20 0.00 0.71 0.00 0.00 52.55 54.28 3koy s ASP 441 Cb -0.25 -1.68 1.12 0.00 1.01 0.00 0.00 42.92 43.13 3koy s ASP 441 CO 0.31 -0.63 1.25 -1.84 0.21 0.00 0.00 175.17 174.47 3koy n GLU 442 N -2.05 -0.04 -0.45 8.23 0.00 -1.26 -0.13 120.64 124.95 3koy n GLU 442 Ca 0.00 1.06 0.08 0.00 0.00 0.00 0.00 57.16 58.30 3koy n GLU 442 Cb 0.57 -1.97 0.28 0.00 0.00 0.00 0.00 31.44 30.32 3koy n GLU 442 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3koy n ASP 443 N -4.58 4.04 -4.69 -1.84 5.75 -1.26 -4.74 116.55 109.23 3koy n ASP 443 Ca 0.31 -2.42 -0.44 0.00 -0.01 0.00 0.00 54.79 52.23 3koy n ASP 443 Cb 1.12 -0.47 -0.04 0.00 -1.03 0.00 0.00 41.12 40.70 3koy n ASP 443 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3koy n TYR 444 N 0.64 2.49 -4.03 2.11 9.36 0.82 -4.85 117.16 123.69 3koy n TYR 444 Ca 0.21 0.17 -0.08 0.00 3.32 0.00 0.00 57.90 61.51 3koy n TYR 444 Cb 0.75 -2.60 -0.11 0.00 -0.63 0.00 0.00 39.34 36.75 3koy n TYR 444 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 3koy s MET 445 N 1.02 0.45 -0.19 2.98 -2.45 -1.26 -1.94 119.30 117.92 3koy s MET 445 Ca 0.77 -0.88 -0.04 0.00 -1.25 0.00 0.00 55.69 54.29 3koy s MET 445 Cb -0.60 0.13 0.09 0.00 1.25 0.00 0.00 34.83 35.69 3koy s MET 445 CO 0.35 -0.07 0.22 0.00 1.05 0.00 0.00 175.02 176.57 3koy s ALA 446 N -2.52 -0.27 -0.16 4.11 0.00 -1.26 -5.03 121.76 116.62 3koy s ALA 446 Ca -0.06 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.17 3koy s ALA 446 Cb -0.02 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 3koy s ALA 446 CO -0.05 -1.15 2.75 -0.35 0.00 0.00 0.00 175.76 176.96 3koy n PRO 447 N 5.32 1.82 -4.25 0.00 -0.04 -1.26 -4.87 135.00 131.73 3koy n PRO 447 Ca -0.05 -1.18 -0.14 0.00 -0.04 0.00 0.00 63.50 62.09 3koy n PRO 447 Cb 0.50 -1.72 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 3koy n PRO 447 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3koy s VAL 448 N -0.61 1.02 0.34 0.52 -7.23 -1.22 -3.91 120.40 109.30 3koy s VAL 448 Ca 0.43 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 58.39 3koy s VAL 448 Cb 0.24 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.17 3koy s VAL 448 CO -0.05 -0.68 0.81 -0.89 -0.31 0.00 0.00 175.10 173.97 3koy s THR 449 N -3.43 4.55 -0.77 5.32 2.01 -1.26 -4.15 115.64 117.91 3koy s THR 449 Ca 0.18 1.20 -0.05 0.00 0.31 0.00 0.00 61.69 63.33 3koy s THR 449 Cb 0.04 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.89 3koy s THR 449 CO 0.01 -0.15 0.68 0.00 -0.69 0.00 0.00 174.62 174.47 3koy n ALA 450 N -0.24 -0.79 -2.83 7.40 0.00 -1.26 -5.03 120.51 117.76 3koy n ALA 450 Ca 0.04 0.21 -0.37 0.00 0.00 0.00 0.00 53.44 53.32 3koy n ALA 450 Cb 0.53 -3.24 -0.06 0.00 0.00 0.00 0.00 19.45 16.68 3koy n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3koy s HIS 451 N -3.19 3.61 -0.11 0.00 5.04 -1.26 -4.30 115.29 115.09 3koy s HIS 451 Ca 0.31 0.58 -0.05 0.00 -1.54 0.00 0.00 55.06 54.36 3koy s HIS 451 Cb -0.14 -1.98 -0.02 0.00 0.04 0.00 0.00 32.58 30.49 3koy s HIS 451 CO 0.42 0.72 -0.09 0.35 -2.34 0.00 0.00 174.74 173.79 3koy h PHE 452 N 4.83 0.00 -2.16 3.88 3.57 -1.90 -3.50 116.94 121.67 3koy h PHE 452 Ca -0.54 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 60.84 3koy h PHE 452 Cb 1.22 0.00 0.05 0.00 2.79 0.00 0.00 35.95 40.02 3koy h PHE 452 CO 0.74 0.00 0.06 0.41 -2.23 0.00 0.00 178.31 177.29 3koy n GLY 453 N 1.70 -2.21 3.60 2.40 0.00 -1.26 -4.88 105.19 104.55 3koy n GLY 453 Ca -0.04 -1.52 -0.53 0.00 0.00 0.00 0.00 46.02 43.94 3koy n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3koy n TYR 454 N -3.02 1.95 -3.75 1.61 9.36 -1.26 -4.92 117.16 117.14 3koy n TYR 454 Ca 0.04 0.30 -0.30 0.00 3.32 0.00 0.00 57.90 61.27 3koy n TYR 454 Cb 0.17 -2.54 -0.13 0.00 -0.63 0.00 0.00 39.34 36.21 3koy n TYR 454 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3koy s ASN 455 N 5.13 3.76 -0.77 2.98 2.47 -1.26 -4.80 114.94 122.46 3koy s ASN 455 Ca 1.01 -2.68 -0.25 0.00 0.42 0.00 0.00 52.86 51.36 3koy s ASN 455 Cb -0.90 -1.13 -0.05 0.00 -1.45 0.00 0.00 41.25 37.72 3koy s ASN 455 CO 0.56 -0.26 1.97 0.21 -3.72 0.00 0.00 177.10 175.86 3koy s ASN 456 N 0.27 5.06 -0.11 -4.21 2.47 -0.82 -4.69 114.94 112.91 3koy s ASN 456 Ca 0.17 -0.16 0.19 0.00 0.42 0.00 0.00 52.86 53.48 3koy s ASN 456 Cb -0.25 -2.54 -0.28 0.00 -1.45 0.00 0.00 41.25 36.73 3koy s ASN 456 CO 0.00 -2.70 0.26 0.52 -3.72 0.00 0.00 177.10 171.46 3koy n VAL 457 N 7.70 0.66 0.12 -5.21 0.31 -1.26 -4.40 118.33 116.25 3koy n VAL 457 Ca 0.33 -0.64 0.19 0.00 -0.01 0.00 0.00 64.34 64.21 3koy n VAL 457 Cb 0.49 -0.23 0.70 0.00 -0.91 0.00 0.00 33.84 33.89 3koy n VAL 457 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3koy h LYS 458 N 0.00 0.00 0.00 5.55 3.64 -1.84 0.54 116.57 124.47 3koy h LYS 458 Ca -0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3koy h LYS 458 Cb 1.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 3koy h LYS 458 CO 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 3koy n GLN 459 N -3.44 0.12 -0.00 1.90 10.64 -1.26 -2.92 117.38 122.43 3koy n GLN 459 Ca 0.07 0.34 0.02 0.00 -1.83 0.00 0.00 57.00 55.59 3koy n GLN 459 Cb 0.68 -1.73 -0.02 0.00 -0.86 0.00 0.00 30.24 28.32 3koy n GLN 459 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3koy n TYR 460 N -1.96 0.00 0.00 2.61 4.01 0.19 -5.03 117.16 116.97 3koy n TYR 460 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3koy n TYR 460 Cb 0.22 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 3koy n TYR 460 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3koy n ASP 461 N -1.26 0.00 0.27 7.72 2.03 -0.94 -5.02 116.55 119.35 3koy n ASP 461 Ca 0.00 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.49 3koy n ASP 461 Cb 0.06 0.00 0.94 0.00 -0.72 0.00 0.00 41.12 41.41 3koy n ASP 461 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3koy h GLU 462 N 0.00 0.00 0.00 -0.67 3.07 -1.82 -2.25 114.58 112.92 3koy h GLU 462 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3koy h GLU 462 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3koy h GLU 462 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 3koy n ALA 463 N -2.19 2.04 -0.20 3.43 0.00 -1.26 -3.14 120.51 119.18 3koy n ALA 463 Ca -0.01 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3koy n ALA 463 Cb 0.24 -1.43 0.27 0.00 0.00 0.00 0.00 19.45 18.53 3koy n ALA 463 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3koy n LEU 464 N -2.20 3.69 -0.26 0.00 4.32 -0.84 -4.48 117.00 117.23 3koy n LEU 464 Ca 0.04 -1.88 0.07 0.00 -0.02 0.00 0.00 56.01 54.22 3koy n LEU 464 Cb 0.35 -0.40 0.30 0.00 -1.62 0.00 0.00 43.42 42.05 3koy n LEU 464 CO 0.26 0.90 1.23 0.58 -1.22 0.00 0.00 177.39 179.14 3koy h VAL 465 N 3.99 1.00 -0.08 4.08 2.07 -1.70 0.18 116.25 125.79 3koy h VAL 465 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3koy h VAL 465 Cb 0.95 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3koy h VAL 465 CO 0.00 0.16 0.00 -1.54 0.02 0.00 0.00 177.57 176.21 3koy n SER 466 N -4.51 1.10 -2.69 0.57 3.41 -1.26 -4.41 113.62 105.83 3koy n SER 466 Ca 0.14 -1.52 -0.08 0.00 -0.26 0.00 0.00 58.87 57.15 3koy n SER 466 Cb 0.27 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.24 3koy n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3koy n GLU 467 N -0.09 1.16 0.05 4.33 -0.58 0.58 -4.96 120.64 121.13 3koy n GLU 467 Ca 0.17 -2.70 0.03 0.00 -0.42 0.00 0.00 57.16 54.24 3koy n GLU 467 Cb 0.26 -0.79 0.15 0.00 -0.57 0.00 0.00 31.44 30.48 3koy n GLU 467 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3koy n PRO 468 N -0.25 0.04 0.16 3.49 -0.02 -0.96 0.92 135.00 138.37 3koy n PRO 468 Ca 0.05 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 3koy n PRO 468 Cb 0.83 -1.75 0.23 0.00 -0.02 0.00 0.00 33.50 32.78 3koy n PRO 468 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3koy h SER 469 N 0.00 0.00 -0.94 2.55 4.64 -1.76 -3.21 113.55 114.83 3koy h SER 469 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 3koy h SER 469 Cb 0.27 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.28 3koy h SER 469 CO 0.00 0.48 0.60 0.11 -0.87 0.00 0.00 176.83 177.15 3koy h LYS 470 N 0.00 0.66 -1.34 4.77 1.79 0.25 0.82 116.57 123.51 3koy h LYS 470 Ca -0.00 -0.04 0.39 0.00 -2.18 0.00 0.00 60.65 58.82 3koy h LYS 470 Cb 1.07 -0.15 -0.08 0.00 -1.58 0.00 0.00 32.23 31.50 3koy h LYS 470 CO 0.06 0.43 0.93 -0.07 -1.08 0.00 0.00 179.45 179.73 3koy h LEU 471 N 0.68 0.13 -2.96 2.94 -0.00 -1.72 -1.65 115.31 112.72 3koy h LEU 471 Ca 0.49 0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 58.36 3koy h LEU 471 Cb 0.85 0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 41.42 3koy h LEU 471 CO -0.25 -0.02 -0.63 2.30 -0.00 0.00 0.00 178.44 179.84 3koy n ILE 472 N -4.31 1.40 -3.64 1.22 -5.35 0.18 -5.00 119.36 103.85 3koy n ILE 472 Ca 0.31 -2.33 -0.28 0.00 -0.27 0.00 0.00 62.75 60.18 3koy n ILE 472 Cb 1.36 0.18 0.03 0.00 -1.74 0.00 0.00 39.64 39.48 3koy n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3koy n ASP 473 N -0.59 -5.52 -0.34 7.28 8.00 -0.62 -4.70 116.55 120.06 3koy n ASP 473 Ca 0.14 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.71 3koy n ASP 473 Cb 0.83 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 3koy n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3koy n GLY 474 N -1.69 -3.31 3.79 0.44 0.00 -0.59 -4.93 105.19 98.89 3koy n GLY 474 Ca -0.11 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 3koy n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy h THR 476 N -0.30 0.22 0.00 0.00 1.35 -1.96 0.66 112.91 112.88 3koy h THR 476 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3koy h THR 476 Cb 1.20 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3koy h THR 476 CO 0.36 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.81 3koy n LEU 477 N -3.39 0.45 0.00 3.87 4.77 -1.26 -3.13 117.00 118.31 3koy n LEU 477 Ca -0.02 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3koy n LEU 477 Cb 0.15 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3koy n LEU 477 CO 0.22 -0.36 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.06 3koy n GLU 478 N -1.97 3.51 -3.29 3.23 4.71 0.19 -4.88 120.64 122.13 3koy n GLU 478 Ca 0.04 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.93 3koy n GLU 478 Cb 0.26 -0.75 -0.08 0.00 -1.01 0.00 0.00 31.44 29.86 3koy n GLU 478 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3koy n VAL 479 N -1.25 -0.86 -0.48 2.62 0.31 0.12 -4.90 118.33 113.89 3koy n VAL 479 Ca 0.00 -3.77 0.42 0.00 -0.01 0.00 0.00 64.34 60.97 3koy n VAL 479 Cb 0.00 -1.82 0.76 0.00 -0.91 0.00 0.00 33.84 31.86 3koy n VAL 479 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3koy h PRO 480 N 4.76 0.03 -0.37 5.55 0.11 -1.80 -0.44 132.00 139.84 3koy h PRO 480 Ca 0.16 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3koy h PRO 480 Cb 0.89 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 3koy h PRO 480 CO 0.43 0.02 0.18 0.93 -0.21 0.00 0.00 178.00 179.35 3koy h GLU 481 N 0.03 0.51 0.00 1.05 3.07 -1.94 -2.41 114.58 114.88 3koy h GLU 481 Ca 0.73 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.54 3koy h GLU 481 Cb 2.83 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 30.64 3koy h GLU 481 CO -0.06 0.39 0.00 1.63 -1.40 0.00 0.00 179.01 179.57 3koy n LYS 482 N -4.42 0.06 -2.31 2.33 5.02 -0.17 -4.74 118.16 113.93 3koy n LYS 482 Ca 0.02 0.45 -0.43 0.00 -2.02 0.00 0.00 58.31 56.34 3koy n LYS 482 Cb 0.11 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 3koy n LYS 482 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3koy s ILE 483 N -3.17 4.08 -0.30 -0.18 1.01 -0.91 -4.96 121.20 116.77 3koy s ILE 483 Ca 0.02 1.29 -0.29 0.00 0.00 0.00 0.00 60.65 61.67 3koy s ILE 483 Cb 0.05 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3koy s ILE 483 CO 0.18 -0.16 1.46 -0.69 0.00 0.00 0.00 174.94 175.72 3koy s VAL 484 N 3.82 3.90 0.06 2.92 1.01 -1.26 -5.00 120.40 125.85 3koy s VAL 484 Ca 0.60 1.00 -0.23 0.00 0.00 0.00 0.00 61.98 63.34 3koy s VAL 484 Cb -0.24 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 3koy s VAL 484 CO 0.20 -0.47 0.71 -0.47 0.00 0.00 0.00 175.10 175.06 3koy s TYR 485 N 5.03 3.76 -0.10 5.22 5.04 -1.26 -5.07 117.35 129.97 3koy s TYR 485 Ca 0.64 1.42 0.01 0.00 -2.44 0.00 0.00 57.07 56.69 3koy s TYR 485 Cb -0.19 -2.73 0.02 0.00 0.35 0.00 0.00 41.96 39.41 3koy s TYR 485 CO 0.28 0.37 -0.12 0.42 -1.34 0.00 0.00 175.55 175.16 3koy s ILE 486 N -0.39 1.24 -0.06 3.14 1.01 -1.26 -5.08 121.20 119.80 3koy s ILE 486 Ca 0.35 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 3koy s ILE 486 Cb -0.20 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 3koy s ILE 486 CO 0.22 0.39 -0.06 -0.78 0.00 0.00 0.00 174.94 174.71 3koy h ASP 487 N 7.55 0.00 -4.70 3.58 3.58 -1.97 -3.38 116.42 121.07 3koy h ASP 487 Ca -0.31 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 56.96 3koy h ASP 487 Cb 1.16 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 41.99 3koy h ASP 487 CO 0.46 0.31 -0.68 -1.61 -2.88 0.00 0.00 179.24 174.84 3koy s GLU 488 N -1.48 0.26 -0.00 0.28 0.41 -1.26 -3.61 118.70 113.30 3koy s GLU 488 Ca -0.05 -0.45 0.05 0.00 -0.41 0.00 0.00 54.97 54.11 3koy s GLU 488 Cb 0.01 0.10 -0.06 0.00 -1.78 0.00 0.00 34.13 32.39 3koy s GLU 488 CO 0.07 -0.05 0.13 1.28 -0.49 0.00 0.00 175.26 176.21 3koy n LEU 489 N 1.91 0.08 -3.97 1.80 4.77 -1.26 -4.98 117.00 115.35 3koy n LEU 489 Ca -0.21 -0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.28 3koy n LEU 489 Cb 0.56 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.50 3koy n LEU 489 CO 0.21 0.02 -0.43 -0.62 -1.33 0.00 0.00 177.39 175.24 3koy s ASP 490 N -2.12 4.00 0.42 -1.43 -1.08 -1.26 -5.02 116.67 110.17 3koy s ASP 490 Ca -0.00 -1.25 0.12 0.00 -0.52 0.00 0.00 52.55 50.90 3koy s ASP 490 Cb 0.03 -1.26 0.96 0.00 -1.46 0.00 0.00 42.92 41.19 3koy s ASP 490 CO 0.19 -0.23 1.99 1.05 0.52 0.00 0.00 175.17 178.68 3koy h GLU 491 N 7.91 0.47 0.00 4.34 -0.00 -2.02 -3.33 114.58 121.95 3koy h GLU 491 Ca -0.18 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.36 59.09 3koy h GLU 491 Cb 1.06 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 29.70 3koy h GLU 491 CO 0.42 0.31 -0.76 0.09 -0.00 0.00 0.00 179.01 179.08 3koy n ASN 492 N -4.47 1.83 -4.55 3.06 4.13 -1.26 -4.72 115.26 109.28 3koy n ASN 492 Ca 0.09 0.56 -0.43 0.00 1.68 0.00 0.00 54.58 56.49 3koy n ASN 492 Cb 0.31 -0.88 -0.01 0.00 -1.54 0.00 0.00 39.78 37.65 3koy n ASN 492 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3koy s ASP 493 N -6.03 6.75 0.33 6.41 -1.08 -1.25 -4.71 116.67 117.09 3koy s ASP 493 Ca -0.19 -2.17 -0.18 0.00 -0.52 0.00 0.00 52.55 49.48 3koy s ASP 493 Cb 0.03 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 39.00 3koy s ASP 493 CO 0.32 -1.21 0.80 0.54 0.52 0.00 0.00 175.17 176.13 3koy s ASN 494 N 4.23 -0.08 0.20 -0.34 2.20 -1.25 -3.83 114.94 116.08 3koy s ASN 494 Ca 0.48 -0.93 -0.05 0.00 -0.94 0.00 0.00 52.86 51.42 3koy s ASN 494 Cb 0.01 0.77 0.14 0.00 -2.00 0.00 0.00 41.25 40.18 3koy s ASN 494 CO -0.00 -1.51 1.58 1.62 -2.94 0.00 0.00 177.10 175.86 3koy h VAL 495 N 2.00 1.28 0.00 3.54 3.04 -1.89 -1.90 116.25 122.32 3koy h VAL 495 Ca -0.28 -1.45 -0.09 0.00 -1.01 0.00 0.00 66.70 63.87 3koy h VAL 495 Cb 1.25 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.85 3koy h VAL 495 CO 0.35 0.48 -0.45 0.78 -1.01 0.00 0.00 177.57 177.71 3koy h ASN 496 N 0.64 0.00 0.03 3.17 2.35 -1.95 1.06 115.58 120.88 3koy h ASN 496 Ca 0.07 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.69 3koy h ASN 496 Cb 0.84 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 3koy h ASN 496 CO 0.07 0.45 -0.45 0.58 -1.65 0.00 0.00 177.43 176.43 3koy h VAL 497 N 0.00 1.31 0.09 2.81 2.07 -1.81 -3.06 116.25 117.66 3koy h VAL 497 Ca -0.00 -1.64 -0.17 0.00 0.82 0.00 0.00 66.70 65.71 3koy h VAL 497 Cb 1.30 1.65 0.02 0.00 -1.52 0.00 0.00 31.29 32.73 3koy h VAL 497 CO 0.06 0.51 -0.71 0.03 0.02 0.00 0.00 177.57 177.48 3koy h ARG 498 N 0.40 0.33 -0.87 1.57 3.08 -0.60 -3.05 114.38 115.23 3koy h ARG 498 Ca 0.03 -0.47 0.12 0.00 0.07 0.00 0.00 59.98 59.73 3koy h ARG 498 Cb 0.95 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 31.08 3koy h ARG 498 CO 0.08 1.18 0.50 0.52 -1.07 0.00 0.00 179.97 181.18 3koy h MET 499 N -0.30 0.75 0.00 0.04 2.86 0.11 -2.48 114.93 115.91 3koy h MET 499 Ca -0.11 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3koy h MET 499 Cb 1.50 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.99 3koy h MET 499 CO 0.13 0.50 -0.30 0.39 1.06 0.00 0.00 176.91 178.69 3koy n GLU 500 N -4.76 0.13 0.09 1.72 1.02 -1.15 -2.42 120.64 115.27 3koy n GLU 500 Ca 0.16 0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.46 3koy n GLU 500 Cb 0.35 -1.61 0.41 0.00 -0.02 0.00 0.00 31.44 30.57 3koy n GLU 500 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3koy n GLU 501 N -1.82 0.11 -2.67 3.49 -0.58 -0.93 -3.31 120.64 114.93 3koy n GLU 501 Ca 0.05 0.44 -0.00 0.00 -0.42 0.00 0.00 57.16 57.23 3koy n GLU 501 Cb 0.38 -1.76 0.06 0.00 -0.57 0.00 0.00 31.44 29.56 3koy n GLU 501 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3koy n THR 502 N -1.98 0.85 0.37 2.62 -2.24 -1.16 -4.86 114.28 107.88 3koy n THR 502 Ca 0.01 -2.27 0.14 0.00 -2.27 0.00 0.00 64.05 59.66 3koy n THR 502 Cb 0.14 1.20 0.54 0.00 -2.10 0.00 0.00 70.33 70.10 3koy n THR 502 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3koy h LYS 503 N 2.06 0.00 -1.84 -0.78 1.57 -1.47 -3.26 116.57 112.86 3koy h LYS 503 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3koy h LYS 503 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3koy h LYS 503 CO 0.08 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.11 3koy n GLU 504 N -2.60 0.63 -1.49 3.15 0.00 -1.26 -2.76 120.64 116.31 3koy n GLU 504 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.13 3koy n GLU 504 Cb 0.29 -1.19 -0.01 0.00 0.00 0.00 0.00 31.44 30.53 3koy n GLU 504 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3koy n PHE 505 N 1.43 -0.45 -2.48 -1.84 3.01 -1.23 -4.69 117.46 111.20 3koy n PHE 505 Ca 0.00 -0.84 0.04 0.00 1.01 0.00 0.00 57.45 57.66 3koy n PHE 505 Cb 0.31 0.68 0.02 0.00 -0.01 0.00 0.00 39.48 40.48 3koy n PHE 505 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3koy n ARG 506 N -0.34 0.00 -1.92 -1.08 3.00 -1.11 -4.92 116.66 110.28 3koy n ARG 506 Ca -0.22 -1.97 0.01 0.00 -0.01 0.00 0.00 57.85 55.67 3koy n ARG 506 Cb 0.78 -0.01 0.04 0.00 0.00 0.00 0.00 32.46 33.28 3koy n ARG 506 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3koy n SER 509 N 0.48 1.44 -2.36 0.55 3.41 -1.26 -5.17 113.62 110.70 3koy n SER 509 Ca 0.06 -2.23 -0.03 0.00 -0.26 0.00 0.00 58.87 56.40 3koy n SER 509 Cb 1.14 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 64.72 3koy n SER 509 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3koy n MET 510 N -0.06 0.44 -3.63 4.33 2.81 -1.26 -3.84 117.12 115.91 3koy n MET 510 Ca 0.09 -0.39 -0.07 0.00 -1.81 0.00 0.00 57.70 55.52 3koy n MET 510 Cb 0.99 -0.11 -0.06 0.00 -0.71 0.00 0.00 33.22 33.32 3koy n MET 510 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3koy s ILE 511 N -0.38 0.00 0.17 2.02 -1.09 -1.02 -4.85 121.20 116.05 3koy s ILE 511 Ca 0.10 0.00 -0.02 0.00 -2.23 0.00 0.00 60.65 58.49 3koy s ILE 511 Cb -0.01 -1.00 -0.03 0.00 -1.58 0.00 0.00 42.46 39.84 3koy s ILE 511 CO 0.07 0.00 0.13 -1.59 -1.23 0.00 0.00 174.94 172.32 3koy s LYS 512 N -0.19 1.09 0.45 2.79 -2.85 -1.26 -2.81 119.74 116.97 3koy s LYS 512 Ca 0.04 -1.48 -0.24 0.00 -1.00 0.00 0.00 55.97 53.29 3koy s LYS 512 Cb -0.04 0.28 -0.07 0.00 -2.06 0.00 0.00 37.83 35.94 3koy s LYS 512 CO -0.07 -0.35 1.25 -1.25 0.10 0.00 0.00 175.35 175.03 3koy s PRO 513 N -4.08 3.73 0.05 1.78 0.04 -1.26 -4.65 135.00 130.61 3koy s PRO 513 Ca 0.29 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.34 3koy s PRO 513 Cb 0.06 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3koy s PRO 513 CO 0.06 -0.64 -0.05 -1.83 0.04 0.00 0.00 177.00 174.58 3koy s GLU 514 N -2.55 0.56 -0.08 4.56 -1.05 -1.26 0.12 118.70 119.00 3koy s GLU 514 Ca 0.62 -1.00 -0.02 0.00 -0.15 0.00 0.00 54.97 54.42 3koy s GLU 514 Cb -0.34 -0.00 -0.04 0.00 -0.44 0.00 0.00 34.13 33.30 3koy s GLU 514 CO 0.43 -0.04 -0.09 1.33 0.95 0.00 0.00 175.26 177.83 3koy n VAL 515 N 0.72 0.46 0.00 1.83 0.24 -1.26 -4.89 118.33 115.44 3koy n VAL 515 Ca -0.18 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3koy n VAL 515 Cb 0.58 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 3koy n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3koy n GLU 516 N -3.09 0.00 -4.49 7.34 0.28 -1.26 -1.34 120.64 118.08 3koy n GLU 516 Ca -0.16 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.51 3koy n GLU 516 Cb 0.63 -0.54 -0.14 0.00 1.43 0.00 0.00 31.44 32.83 3koy n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3koy s TRP 517 N -1.93 2.89 -0.12 -1.84 0.51 -1.26 -4.73 118.94 112.45 3koy s TRP 517 Ca 0.00 -0.64 -0.28 0.00 -2.12 0.00 0.00 56.10 53.06 3koy s TRP 517 Cb 0.00 -1.93 -0.13 0.00 -0.81 0.00 0.00 33.47 30.60 3koy s TRP 517 CO 0.00 -0.25 0.83 0.94 -0.51 0.00 0.00 176.95 177.96 3koy n GLN 518 N 3.82 0.00 -1.98 4.98 7.27 -1.26 -1.30 117.38 128.91 3koy n GLN 518 Ca -0.18 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.68 3koy n GLN 518 Cb 0.52 -0.99 -0.05 0.00 2.41 0.00 0.00 30.24 32.13 3koy n GLN 518 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3koy n ALA 519 N 1.59 -0.46 1.90 1.69 0.00 -1.26 -4.87 120.51 119.10 3koy n ALA 519 Ca 0.16 0.26 0.16 0.00 0.00 0.00 0.00 53.44 54.01 3koy n ALA 519 Cb 0.02 -2.13 0.91 0.00 0.00 0.00 0.00 19.45 18.25 3koy n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3koy n ASP 520 N -1.68 0.00 -0.74 0.00 5.68 -0.42 -4.90 116.55 114.49 3koy n ASP 520 Ca -0.23 -0.88 -0.10 0.00 -0.50 0.00 0.00 54.79 53.08 3koy n ASP 520 Cb 0.69 -0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.59 3koy n ASP 520 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3koy n GLY 521 N 1.01 0.98 3.76 6.12 0.00 0.12 -4.77 105.19 112.41 3koy n GLY 521 Ca 0.22 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3koy n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3koy s THR 522 N -1.96 4.27 0.25 2.61 2.01 -1.23 0.12 115.64 121.70 3koy s THR 522 Ca 0.00 1.89 0.02 0.00 0.31 0.00 0.00 61.69 63.91 3koy s THR 522 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 3koy s THR 522 CO 0.00 0.49 0.17 0.68 -0.69 0.00 0.00 174.62 175.28 3koy s VAL 523 N -1.04 0.05 -0.05 3.82 -7.23 -0.34 -4.24 120.40 111.37 3koy s VAL 523 Ca 0.39 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 3koy s VAL 523 Cb -0.24 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 3koy s VAL 523 CO 0.29 0.00 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.65 3koy s LEU 524 N -3.25 2.31 -0.20 1.32 2.96 -1.26 -2.55 118.68 118.02 3koy s LEU 524 Ca 0.39 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3koy s LEU 524 Cb 0.06 -1.44 0.04 0.00 0.50 0.00 0.00 46.19 45.35 3koy s LEU 524 CO 0.17 0.29 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.15 3koy s LEU 525 N -0.41 2.37 -0.22 -0.68 2.96 0.13 -4.97 118.68 117.86 3koy s LEU 525 Ca 0.04 -0.90 -0.04 0.00 -0.22 0.00 0.00 54.13 53.01 3koy s LEU 525 Cb -0.12 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 3koy s LEU 525 CO 0.02 -0.13 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.01 3koy s THR 526 N 1.35 3.61 0.20 3.68 2.01 -1.26 -1.48 115.64 123.75 3koy s THR 526 Ca -0.01 -0.42 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 3koy s THR 526 Cb -0.16 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 3koy s THR 526 CO -0.09 0.41 0.18 0.00 -0.69 0.00 0.00 174.62 174.44 3koy s MET 527 N 1.39 1.24 -0.02 4.92 0.23 -0.76 -5.04 119.30 121.25 3koy s MET 527 Ca 0.05 -1.55 0.02 0.00 -1.03 0.00 0.00 55.69 53.18 3koy s MET 527 Cb -0.14 0.30 0.00 0.00 -1.53 0.00 0.00 34.83 33.46 3koy s MET 527 CO -0.01 -0.42 -0.09 0.12 -2.03 0.00 0.00 175.02 172.59 3koy s PHE 528 N -4.13 0.91 -0.06 3.16 5.36 -1.26 -1.81 117.98 120.15 3koy s PHE 528 Ca 0.35 -0.22 0.03 0.00 -0.96 0.00 0.00 56.93 56.13 3koy s PHE 528 Cb 0.06 -0.65 0.01 0.00 -0.34 0.00 0.00 43.02 42.09 3koy s PHE 528 CO 0.11 -0.09 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.11 3koy s LEU 529 N 0.19 1.79 0.00 6.12 1.43 -0.70 -4.99 118.68 122.52 3koy s LEU 529 Ca -0.03 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3koy s LEU 529 Cb -0.08 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.18 3koy s LEU 529 CO 0.00 0.09 0.30 -2.65 0.23 0.00 0.00 176.35 174.32 3koy n PRO 530 N 3.58 0.36 -4.28 1.29 -0.02 -1.26 -1.63 135.00 133.04 3koy n PRO 530 Ca -0.21 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.11 3koy n PRO 530 Cb 0.52 -1.27 -0.10 0.00 -0.02 0.00 0.00 33.50 32.64 3koy n PRO 530 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3koy s THR 531 N 0.06 0.26 1.10 3.45 -1.32 -1.26 -4.49 115.64 113.43 3koy s THR 531 Ca 0.00 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.30 3koy s THR 531 Cb 0.00 -2.54 0.28 0.00 -1.51 0.00 0.00 72.50 68.73 3koy s THR 531 CO 0.00 0.00 0.64 -1.54 -2.21 0.00 0.00 174.62 171.51 3koy n SER 532 N -0.61 -3.63 0.05 8.08 3.41 -1.26 -3.12 113.62 116.53 3koy n SER 532 Ca 0.02 -0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 57.85 3koy n SER 532 Cb 0.65 -0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 63.78 3koy n SER 532 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3koy h LYS 533 N 0.00 -0.15 -0.18 4.33 2.10 -1.93 -2.31 116.57 118.43 3koy h LYS 533 Ca -0.29 0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.31 3koy h LYS 533 Cb 0.98 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.34 3koy h LYS 533 CO 0.17 0.26 -0.10 -0.09 -2.00 0.00 0.00 179.45 177.70 3koy h ARG 534 N -0.62 0.38 -0.56 0.07 2.43 -1.99 0.17 114.38 114.27 3koy h ARG 534 Ca -0.02 -0.17 0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3koy h ARG 534 Cb 0.48 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 3koy h ARG 534 CO 0.03 0.70 0.18 0.28 -1.51 0.00 0.00 179.97 179.65 3koy h VAL 535 N 0.06 0.77 -0.06 0.20 2.07 -1.94 -2.49 116.25 114.85 3koy h VAL 535 Ca 0.04 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.31 3koy h VAL 535 Cb 0.59 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3koy h VAL 535 CO 0.03 0.06 -0.53 0.00 0.02 0.00 0.00 177.57 177.16 3koy h ALA 536 N 1.39 1.00 -0.90 1.67 0.00 -1.23 -1.89 119.26 119.31 3koy h ALA 536 Ca 0.28 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3koy h ALA 536 Cb 0.34 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3koy h ALA 536 CO -0.30 0.67 0.58 1.49 0.00 0.00 0.00 179.25 181.70 3koy h GLU 537 N 0.14 1.00 0.16 0.00 4.81 -0.21 -0.47 114.58 120.00 3koy h GLU 537 Ca 0.00 -0.06 -0.34 0.00 -0.13 0.00 0.00 59.36 58.83 3koy h GLU 537 Cb 0.98 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3koy h GLU 537 CO 0.08 0.66 -1.70 0.74 -0.73 0.00 0.00 179.01 178.05 3koy h PHE 538 N 1.03 0.61 -0.81 0.92 0.04 -1.38 -3.10 116.94 114.24 3koy h PHE 538 Ca 0.38 -0.44 0.07 0.00 2.80 0.00 0.00 57.97 60.78 3koy h PHE 538 Cb 0.19 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 3koy h PHE 538 CO -0.00 1.58 0.48 0.00 -0.60 0.00 0.00 178.31 179.77 3koy h ALA 539 N 0.25 1.12 -0.58 2.45 0.00 -1.20 -0.10 119.26 121.21 3koy h ALA 539 Ca -0.32 0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.72 3koy h ALA 539 Cb 2.07 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.58 3koy h ALA 539 CO 0.17 0.18 0.03 0.00 0.00 0.00 0.00 179.25 179.62 3koy h ALA 540 N 1.41 0.59 -0.17 0.00 0.00 -1.10 -0.47 119.26 119.51 3koy h ALA 540 Ca 0.37 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.35 3koy h ALA 540 Cb 0.23 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3koy h ALA 540 CO -0.20 -0.37 -0.29 0.82 0.00 0.00 0.00 179.25 179.21 3koy h ILE 541 N 0.14 1.26 -0.30 0.00 2.04 -1.00 -1.43 117.51 118.23 3koy h ILE 541 Ca 0.30 -1.27 -0.14 0.00 1.00 0.00 0.00 64.86 64.75 3koy h ILE 541 Cb 0.47 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3koy h ILE 541 CO -0.47 0.39 -0.37 -0.33 0.00 0.00 0.00 178.15 177.37 3koy h GLU 542 N 0.29 0.78 -0.41 2.37 4.39 0.12 -0.45 114.58 121.68 3koy h GLU 542 Ca 0.04 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3koy h GLU 542 Cb 0.66 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3koy h GLU 542 CO 0.05 1.07 0.27 0.74 -1.16 0.00 0.00 179.01 179.98 3koy h PHE 543 N 0.55 0.53 -0.71 4.33 0.04 -1.01 0.02 116.94 120.68 3koy h PHE 543 Ca 0.04 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3koy h PHE 543 Cb 0.96 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.90 3koy h PHE 543 CO 0.07 0.34 0.42 0.00 -0.60 0.00 0.00 178.31 178.54 3koy h ALA 544 N 1.14 0.91 0.58 2.45 0.00 -1.19 -1.85 119.26 121.30 3koy h ALA 544 Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3koy h ALA 544 Cb -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3koy h ALA 544 CO -0.03 0.40 -0.34 0.87 0.00 0.00 0.00 179.25 180.14 3koy h LYS 545 N 0.98 -0.83 0.00 0.00 1.57 -0.87 -1.95 116.57 115.46 3koy h LYS 545 Ca 0.25 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3koy h LYS 545 Cb -0.01 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3koy h LYS 545 CO -0.05 -0.56 0.12 1.63 -0.57 0.00 0.00 179.45 180.03 3koy n LYS 546 N -5.48 0.00 -0.38 3.15 4.76 -0.02 -0.53 118.16 119.66 3koy n LYS 546 Ca -0.12 0.31 0.11 0.00 -2.87 0.00 0.00 58.31 55.73 3koy n LYS 546 Cb 0.37 -1.62 0.31 0.00 -1.84 0.00 0.00 35.03 32.25 3koy n LYS 546 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3koy n MET 547 N -1.30 2.73 -2.35 1.97 2.81 -0.73 -4.93 117.12 115.33 3koy n MET 547 Ca 0.00 -2.48 -0.06 0.00 -1.81 0.00 0.00 57.70 53.34 3koy n MET 547 Cb 0.12 -1.58 0.01 0.00 -0.71 0.00 0.00 33.22 31.05 3koy n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3koy n ASN 548 N 1.42 -2.74 -4.68 7.83 3.02 0.31 -5.03 115.26 115.38 3koy n ASN 548 Ca 0.23 -0.06 -0.35 0.00 -0.03 0.00 0.00 54.58 54.38 3koy n ASN 548 Cb 0.62 -1.83 -0.09 0.00 -0.61 0.00 0.00 39.78 37.87 3koy n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3koy s LEU 549 N -2.15 4.00 0.13 3.41 1.43 -1.12 -4.32 118.68 120.07 3koy s LEU 549 Ca 0.06 0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.24 3koy s LEU 549 Cb -0.03 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 3koy s LEU 549 CO 0.07 0.18 0.41 -1.61 0.23 0.00 0.00 176.35 175.64 3koy s GLU 550 N 0.32 3.69 -1.41 1.70 0.41 -0.60 -4.52 118.70 118.30 3koy s GLU 550 Ca 0.06 0.06 -0.10 0.00 -0.41 0.00 0.00 54.97 54.57 3koy s GLU 550 Cb -0.12 -2.86 0.03 0.00 -1.78 0.00 0.00 34.13 29.40 3koy s GLU 550 CO -0.01 0.47 1.11 0.39 -0.49 0.00 0.00 175.26 176.73 3koy n GLU 551 N 0.32 -7.24 -1.68 1.61 1.02 -1.26 0.41 120.64 113.82 3koy n GLU 551 Ca -0.04 0.78 -0.45 0.00 -0.02 0.00 0.00 57.16 57.43 3koy n GLU 551 Cb 0.52 -5.79 -0.04 0.00 -0.02 0.00 0.00 31.44 26.11 3koy n GLU 551 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3koy n VAL 552 N -4.91 0.13 -3.86 2.62 0.31 -1.26 -4.50 118.33 106.85 3koy n VAL 552 Ca 0.01 -0.02 -0.24 0.00 -0.01 0.00 0.00 64.34 64.08 3koy n VAL 552 Cb 0.56 -1.73 -0.17 0.00 -0.91 0.00 0.00 33.84 31.58 3koy n VAL 552 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3koy s GLU 553 N 1.62 0.93 -0.30 5.55 2.02 0.34 -5.00 118.70 123.86 3koy s GLU 553 Ca 0.80 -0.03 -0.28 0.00 0.02 0.00 0.00 54.97 55.48 3koy s GLU 553 Cb -0.63 -1.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.43 3koy s GLU 553 CO 0.39 -0.26 1.80 0.08 0.02 0.00 0.00 175.26 177.28 3koy s VAL 554 N 1.77 3.47 -0.67 2.63 1.01 -1.26 -0.83 120.40 126.51 3koy s VAL 554 Ca 0.03 0.49 0.17 0.00 0.00 0.00 0.00 61.98 62.66 3koy s VAL 554 Cb -0.13 -3.60 -0.20 0.00 0.00 0.00 0.00 36.38 32.45 3koy s VAL 554 CO -0.05 -0.36 0.66 2.30 0.00 0.00 0.00 175.10 177.64 3koy n ILE 555 N 7.29 0.00 -3.70 2.22 -5.35 0.14 -4.96 119.36 115.00 3koy n ILE 555 Ca 0.23 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.43 3koy n ILE 555 Cb 0.46 0.86 -0.09 0.00 -1.74 0.00 0.00 39.64 39.13 3koy n ILE 555 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3koy s ASN 556 N -2.80 -0.53 -0.05 7.28 2.47 -0.90 -4.90 114.94 115.50 3koy s ASN 556 Ca 0.04 1.01 -0.02 0.00 0.42 0.00 0.00 52.86 54.31 3koy s ASN 556 Cb 0.12 1.01 0.03 0.00 -1.45 0.00 0.00 41.25 40.97 3koy s ASN 556 CO 0.69 -0.18 0.07 -0.13 -3.72 0.00 0.00 177.10 173.84 3koy s ARG 557 N 0.37 -0.06 -0.08 0.43 0.52 -1.26 -1.72 118.95 117.15 3koy s ARG 557 Ca -0.01 0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.59 3koy s ARG 557 Cb -0.04 -0.60 0.01 0.00 0.52 0.00 0.00 34.95 34.84 3koy s ARG 557 CO -0.01 -0.36 -0.18 -1.21 0.02 0.00 0.00 175.30 173.57 3koy s GLU 558 N 2.18 2.33 -0.51 3.54 2.02 -0.90 -5.00 118.70 122.36 3koy s GLU 558 Ca 0.05 -0.63 -0.28 0.00 0.02 0.00 0.00 54.97 54.12 3koy s GLU 558 Cb -0.12 -1.83 0.02 0.00 0.10 0.00 0.00 34.13 32.29 3koy s GLU 558 CO -0.04 0.09 1.33 0.08 0.02 0.00 0.00 175.26 176.74 3koy s VAL 559 N 0.55 3.92 0.02 2.63 1.01 -1.26 -1.18 120.40 126.09 3koy s VAL 559 Ca -0.16 0.87 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 3koy s VAL 559 Cb -0.17 -4.45 -0.14 0.00 0.00 0.00 0.00 36.38 31.62 3koy s VAL 559 CO 0.06 -1.06 1.16 0.24 0.00 0.00 0.00 175.10 175.50 3koy h MET 560 N 10.42 -0.87 -3.31 2.72 0.00 -1.76 -3.46 114.93 118.67 3koy h MET 560 Ca -0.26 0.06 -0.14 0.00 0.00 0.00 0.00 59.70 59.36 3koy h MET 560 Cb 1.08 0.20 -0.21 0.00 0.00 0.00 0.00 31.60 32.67 3koy h MET 560 CO 1.15 -0.58 -0.42 -1.14 0.00 0.00 0.00 176.91 175.92 3koy s GLN 561 N -4.65 0.51 0.51 1.72 -0.44 -0.94 -4.98 119.66 111.38 3koy s GLN 561 Ca -0.13 -0.22 0.30 0.00 -2.50 0.00 0.00 55.36 52.81 3koy s GLN 561 Cb 0.01 0.22 1.41 0.00 -1.64 0.00 0.00 33.01 33.02 3koy s GLN 561 CO 0.40 -0.12 1.85 1.49 0.50 0.00 0.00 175.29 179.40 3koy h GLU 562 N 4.39 0.09 0.00 1.67 4.81 -1.88 -2.91 114.58 120.75 3koy h GLU 562 Ca -0.30 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 3koy h GLU 562 Cb 1.19 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3koy h GLU 562 CO 0.40 0.06 -1.25 0.00 -0.73 0.00 0.00 179.01 177.49 3koy n ALA 563 N -2.68 1.98 0.20 2.92 0.00 -1.26 -4.20 120.51 117.47 3koy n ALA 563 Ca 0.21 -0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3koy n ALA 563 Cb 1.00 0.08 0.17 0.00 0.00 0.00 0.00 19.45 20.69 3koy n ALA 563 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3koy h GLU 564 N 0.00 0.00 0.00 0.00 4.39 -1.82 -3.41 114.58 113.74 3koy h GLU 564 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3koy h GLU 564 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 3koy h GLU 564 CO 0.00 0.12 0.00 0.41 -1.16 0.00 0.00 179.01 178.38 3koy n GLY 565 N 1.06 3.43 3.17 -3.84 0.00 -1.12 -4.41 105.19 103.47 3koy n GLY 565 Ca 0.03 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 3koy n GLY 565 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3koy s THR 566 N -2.00 1.18 -0.15 2.61 2.01 -0.65 -2.06 115.64 116.58 3koy s THR 566 Ca 0.00 -1.17 -0.09 0.00 0.31 0.00 0.00 61.69 60.74 3koy s THR 566 Cb 0.00 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 3koy s THR 566 CO 0.00 -0.08 0.17 -0.60 -0.69 0.00 0.00 174.62 173.42 3koy s ARG 567 N -1.43 3.86 -0.00 4.92 3.52 -0.32 -1.73 118.95 127.76 3koy s ARG 567 Ca 0.01 -0.11 0.07 0.00 -0.13 0.00 0.00 55.73 55.57 3koy s ARG 567 Cb -0.09 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 3koy s ARG 567 CO 0.02 0.53 -0.21 0.42 -0.81 0.00 0.00 175.30 175.24 3koy s ILE 568 N -0.32 1.69 -0.03 4.11 -1.09 -0.75 -2.12 121.20 122.69 3koy s ILE 568 Ca 0.13 -0.97 0.06 0.00 -2.23 0.00 0.00 60.65 57.64 3koy s ILE 568 Cb -0.12 -1.41 -0.01 0.00 -1.58 0.00 0.00 42.46 39.33 3koy s ILE 568 CO 0.02 0.43 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.33 3koy s GLU 569 N -0.63 1.94 -0.05 2.79 2.02 -0.70 -1.83 118.70 122.24 3koy s GLU 569 Ca 0.08 -0.76 -0.17 0.00 0.02 0.00 0.00 54.97 54.14 3koy s GLU 569 Cb -0.08 -1.77 0.03 0.00 0.10 0.00 0.00 34.13 32.41 3koy s GLU 569 CO -0.00 0.39 0.38 -0.48 0.02 0.00 0.00 175.26 175.57 3koy s LEU 570 N -0.30 0.55 0.15 1.80 0.05 -0.55 0.26 118.68 120.65 3koy s LEU 570 Ca 0.03 0.34 0.05 0.00 0.05 0.00 0.00 54.13 54.60 3koy s LEU 570 Cb -0.10 1.47 -0.04 0.00 -2.05 0.00 0.00 46.19 45.47 3koy s LEU 570 CO 0.01 -0.40 0.13 -1.59 -0.55 0.00 0.00 176.35 173.95 3koy s LYS 571 N -0.95 2.90 0.35 1.48 -2.85 -0.01 0.21 119.74 120.88 3koy s LYS 571 Ca -0.10 -0.84 -0.17 0.00 -1.00 0.00 0.00 55.97 53.85 3koy s LYS 571 Cb -0.04 -2.66 0.04 0.00 -2.06 0.00 0.00 37.83 33.11 3koy s LYS 571 CO 0.04 0.49 0.77 0.20 0.10 0.00 0.00 175.35 176.95 3koy s GLY 572 N -3.02 0.22 -0.10 0.59 0.00 -1.06 -0.51 107.32 103.45 3koy s GLY 572 Ca 0.31 -0.61 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 3koy s GLY 572 CO 0.23 -0.24 -0.01 -1.60 0.00 0.00 0.00 173.10 171.48 3koy s ARG 573 N -2.83 3.12 -0.41 2.90 3.52 0.17 -1.20 118.95 124.21 3koy s ARG 573 Ca 0.14 -0.45 -0.24 0.00 -0.13 0.00 0.00 55.73 55.05 3koy s ARG 573 Cb -0.05 -2.80 0.02 0.00 -1.56 0.00 0.00 34.95 30.55 3koy s ARG 573 CO 0.10 0.59 0.82 0.08 -0.81 0.00 0.00 175.30 176.08 3koy s VAL 574 N -0.58 4.65 -1.47 7.11 1.01 0.32 -1.55 120.40 129.90 3koy s VAL 574 Ca 0.09 0.72 0.30 0.00 0.00 0.00 0.00 61.98 63.10 3koy s VAL 574 Cb -0.12 -4.29 0.55 0.00 0.00 0.00 0.00 36.38 32.52 3koy s VAL 574 CO 0.02 -0.60 2.05 -2.65 0.00 0.00 0.00 175.10 173.92 3koy n PRO 575 N 6.67 0.46 -4.75 2.72 -0.02 -1.26 -4.73 135.00 134.09 3koy n PRO 575 Ca 0.03 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 3koy n PRO 575 Cb 0.48 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 3koy n PRO 575 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3koy s PHE 576 N -2.53 1.84 0.00 6.00 -0.12 -1.26 -5.16 117.98 116.75 3koy s PHE 576 Ca 0.29 -0.99 0.00 0.00 -0.05 0.00 0.00 56.93 56.19 3koy s PHE 576 Cb 0.20 -1.58 0.00 0.00 -0.63 0.00 0.00 43.02 41.01 3koy s PHE 576 CO 0.45 0.19 0.00 0.43 -0.05 0.00 0.00 175.22 176.24 3koy n SER 577 N -1.28 1.94 -3.64 1.98 7.64 -1.26 -4.87 113.62 114.13 3koy n SER 577 Ca -0.19 -0.60 -0.15 0.00 1.01 0.00 0.00 58.87 58.94 3koy n SER 577 Cb 0.67 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.79 3koy n SER 577 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3koy s ILE 578 N -0.15 0.01 -0.22 0.44 1.09 -1.12 -5.01 121.20 116.24 3koy s ILE 578 Ca 0.00 -0.11 -0.13 0.00 -1.10 0.00 0.00 60.65 59.31 3koy s ILE 578 Cb 0.00 -0.83 -0.05 0.00 -1.06 0.00 0.00 42.46 40.52 3koy s ILE 578 CO 0.00 -0.06 0.27 -0.62 -0.10 0.00 0.00 174.94 174.42 3koy s ASP 579 N -0.65 6.26 0.44 3.58 -1.08 -1.26 -2.42 116.67 121.54 3koy s ASP 579 Ca -0.07 0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.53 3koy s ASP 579 Cb -0.03 -2.16 1.34 0.00 -1.46 0.00 0.00 42.92 40.61 3koy s ASP 579 CO 0.05 0.00 1.69 0.40 0.52 0.00 0.00 175.17 177.84 3koy h ILE 580 N 5.01 0.29 -0.01 4.11 1.08 -1.89 -0.71 117.51 125.40 3koy h ILE 580 Ca -0.37 -0.06 -0.24 0.00 -0.39 0.00 0.00 64.86 63.80 3koy h ILE 580 Cb 1.17 0.09 0.01 0.00 -3.07 0.00 0.00 36.82 35.02 3koy h ILE 580 CO 0.69 0.03 -0.97 0.78 -0.69 0.00 0.00 178.15 177.99 3koy h ASN 581 N 0.18 0.68 0.00 1.72 2.35 -1.92 -3.27 115.58 115.33 3koy h ASN 581 Ca 0.72 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3koy h ASN 581 Cb 2.21 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 40.38 3koy h ASN 581 CO -0.31 1.33 0.00 -1.20 -1.65 0.00 0.00 177.43 175.60 3koy n SER 582 N -3.79 0.30 -4.74 5.81 7.64 -0.27 -4.80 113.62 113.77 3koy n SER 582 Ca -0.08 -0.92 -0.35 0.00 1.01 0.00 0.00 58.87 58.52 3koy n SER 582 Cb 0.84 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.81 3koy n SER 582 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3koy s LEU 583 N -0.35 3.95 -0.96 -3.43 1.43 -1.23 -5.00 118.68 113.09 3koy s LEU 583 Ca 0.00 0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 53.14 3koy s LEU 583 Cb 0.00 -1.96 0.11 0.00 0.03 0.00 0.00 46.19 44.37 3koy s LEU 583 CO 0.00 0.32 1.22 -0.69 0.23 0.00 0.00 176.35 177.43 3koy s VAL 584 N -0.50 4.49 -0.36 -1.59 1.01 -1.26 -4.97 120.40 117.21 3koy s VAL 584 Ca 0.10 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.75 3koy s VAL 584 Cb -0.12 -4.86 0.10 0.00 0.00 0.00 0.00 36.38 31.50 3koy s VAL 584 CO 0.02 -1.64 0.11 -0.63 0.00 0.00 0.00 175.10 172.96 3koy s ILE 585 N 3.36 2.73 0.00 2.22 1.01 -1.26 -5.10 121.20 124.16 3koy s ILE 585 Ca 0.37 -2.17 0.00 0.00 0.00 0.00 0.00 60.65 58.85 3koy s ILE 585 Cb -0.03 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.52 3koy s ILE 585 CO -0.10 -0.60 0.00 -2.65 0.00 0.00 0.00 174.94 171.59 3koy n PRO 586 N 4.41 -0.83 0.00 2.79 -0.02 -1.26 -5.29 135.00 134.81 3koy n PRO 586 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3koy n PRO 586 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 3koy n PRO 586 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3koy n PRO 587 N -1.28 3.77 0.00 0.52 -0.05 -1.26 -5.31 135.00 131.39 3koy n PRO 587 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 3koy n PRO 587 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 3koy n PRO 587 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 3koy n ILE 591 N 0.00 0.00 -3.48 0.52 5.41 -1.26 -5.39 119.36 115.16 3koy n ILE 591 Ca 0.00 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.38 3koy n ILE 591 Cb 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.86 3koy n ILE 591 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3koy s LEU 592 N 0.00 4.30 0.59 1.39 1.43 -1.26 -5.09 118.68 120.04 3koy s LEU 592 Ca 0.00 0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 53.73 3koy s LEU 592 Cb 0.00 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.76 3koy s LEU 592 CO 0.00 0.12 0.87 -0.94 0.23 0.00 0.00 176.35 176.63 3koy s SER 593 N 0.19 5.33 0.41 2.29 1.04 -1.26 -4.90 113.70 116.80 3koy s SER 593 Ca 0.20 0.41 0.14 0.00 0.48 0.00 0.00 55.95 57.18 3koy s SER 593 Cb -0.14 -1.32 0.86 0.00 0.10 0.00 0.00 66.02 65.52 3koy s SER 593 CO 0.07 -1.18 1.90 1.05 0.98 0.00 0.00 173.24 176.06 3koy h GLU 594 N -0.15 0.00 0.00 4.02 9.09 -1.98 0.13 114.58 125.68 3koy h GLU 594 Ca -0.44 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 58.87 3koy h GLU 594 Cb 1.28 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.37 3koy h GLU 594 CO 0.58 0.29 -0.45 -0.44 0.05 0.00 0.00 179.01 179.04 3koy h ASP 595 N 0.00 0.00 0.03 3.06 3.32 -1.98 0.19 116.42 121.05 3koy h ASP 595 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3koy h ASP 595 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 3koy h ASP 595 CO 0.04 0.45 -0.42 -0.33 -1.72 0.00 0.00 179.24 177.26 3koy h GLU 596 N 0.00 0.22 -0.61 3.56 3.07 -1.79 -1.79 114.58 117.24 3koy h GLU 596 Ca -0.00 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.57 3koy h GLU 596 Cb 1.23 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 29.20 3koy h GLU 596 CO 0.06 1.05 0.36 0.82 -1.40 0.00 0.00 179.01 179.90 3koy h ILE 597 N -0.47 1.18 -0.11 3.13 1.08 -0.77 -1.68 117.51 119.88 3koy h ILE 597 Ca -0.06 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 3koy h ILE 597 Cb 1.22 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 3koy h ILE 597 CO 0.08 0.19 0.03 -0.09 -0.69 0.00 0.00 178.15 177.67 3koy h ARG 598 N 0.82 0.17 -0.45 2.37 2.43 -0.69 -2.82 114.38 116.21 3koy h ARG 598 Ca 0.22 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3koy h ARG 598 Cb -0.02 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3koy h ARG 598 CO -0.04 0.31 0.28 0.93 -1.51 0.00 0.00 179.97 179.94 3koy h GLU 599 N -0.01 0.60 -0.98 0.20 5.08 -1.19 -0.14 114.58 118.14 3koy h GLU 599 Ca 0.04 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3koy h GLU 599 Cb 0.22 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 3koy h GLU 599 CO -0.00 0.43 0.64 0.22 -1.00 0.00 0.00 179.01 179.30 3koy h ASP 600 N 0.60 1.08 0.97 1.42 3.58 -1.28 -0.60 116.42 122.19 3koy h ASP 600 Ca 0.16 -0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.39 3koy h ASP 600 Cb -0.03 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 3koy h ASP 600 CO -0.03 0.75 -1.06 0.40 -2.88 0.00 0.00 179.24 176.41 3koy h ILE 601 N 1.25 1.42 0.00 2.25 2.04 -1.23 -1.08 117.51 122.17 3koy h ILE 601 Ca 0.38 -3.10 -0.00 0.00 1.00 0.00 0.00 64.86 63.15 3koy h ILE 601 Cb -0.02 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3koy h ILE 601 CO -0.11 0.81 -0.00 -0.08 0.00 0.00 0.00 178.15 178.76 3koy h GLU 602 N 0.00 -0.00 0.42 2.37 4.81 -0.67 -2.99 114.58 118.51 3koy h GLU 602 Ca -0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3koy h GLU 602 Cb 1.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.13 3koy h GLU 602 CO 0.11 0.01 -0.20 0.87 -0.73 0.00 0.00 179.01 179.07 3koy h LYS 603 N -0.01 -0.54 -4.61 1.92 1.57 -1.12 -3.38 116.57 110.39 3koy h LYS 603 Ca -0.00 0.04 -0.71 0.00 -1.87 0.00 0.00 60.65 58.10 3koy h LYS 603 Cb 0.01 0.12 -0.20 0.00 0.08 0.00 0.00 32.23 32.24 3koy h LYS 603 CO 0.00 -0.36 -0.13 0.99 -0.57 0.00 0.00 179.45 179.38 3koy s THR 604 N -3.38 5.05 0.52 -0.16 2.01 -0.41 -5.07 115.64 114.19 3koy s THR 604 Ca -0.08 -0.83 -0.20 0.00 0.31 0.00 0.00 61.69 60.89 3koy s THR 604 Cb 0.01 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 3koy s THR 604 CO 0.25 -0.73 0.65 -2.65 -0.69 0.00 0.00 174.62 171.45 3koy n PRO 605 N 5.71 0.69 -3.69 4.92 -0.02 -1.13 -4.10 135.00 137.37 3koy n PRO 605 Ca -0.10 0.26 -0.15 0.00 -2.02 0.00 0.00 63.50 61.50 3koy n PRO 605 Cb 0.44 -1.76 -0.15 0.00 -0.02 0.00 0.00 33.50 32.02 3koy n PRO 605 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3koy s LEU 606 N 0.49 0.15 -0.04 2.45 2.96 -1.26 -5.05 118.68 118.37 3koy s LEU 606 Ca 0.67 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 55.04 3koy s LEU 606 Cb -0.50 0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 3koy s LEU 606 CO 0.55 -0.21 -0.25 -0.75 -1.32 0.00 0.00 176.35 174.37 3koy s LYS 607 N 1.91 2.39 0.12 1.98 2.20 -1.26 -0.13 119.74 126.96 3koy s LYS 607 Ca -0.02 -0.91 0.06 0.00 -0.36 0.00 0.00 55.97 54.75 3koy s LYS 607 Cb -0.12 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 3koy s LYS 607 CO -0.07 0.46 -0.14 0.42 -0.36 0.00 0.00 175.35 175.66 3koy s ILE 608 N -0.35 1.34 -0.07 5.43 1.09 0.49 -0.46 121.20 128.67 3koy s ILE 608 Ca 0.02 -1.70 0.04 0.00 -1.10 0.00 0.00 60.65 57.91 3koy s ILE 608 Cb -0.12 -1.52 -0.01 0.00 -1.06 0.00 0.00 42.46 39.74 3koy s ILE 608 CO 0.02 -0.40 -0.21 0.68 -0.10 0.00 0.00 174.94 174.93 3koy s VAL 609 N -2.08 2.43 0.09 2.92 -7.23 -0.81 -0.50 120.40 115.21 3koy s VAL 609 Ca 0.09 -0.93 0.07 0.00 -1.81 0.00 0.00 61.98 59.40 3koy s VAL 609 Cb -0.05 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 3koy s VAL 609 CO 0.03 0.57 -0.18 0.00 -0.31 0.00 0.00 175.10 175.20 3koy s ALA 610 N -0.16 1.59 -0.08 1.32 0.00 -0.17 -0.50 121.76 123.76 3koy s ALA 610 Ca -0.03 -1.17 -0.25 0.00 0.00 0.00 0.00 51.96 50.51 3koy s ALA 610 Cb -0.14 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 22.85 3koy s ALA 610 CO 0.04 0.29 0.58 0.00 0.00 0.00 0.00 175.76 176.66 3koy s ALA 611 N -1.23 -1.48 -0.21 0.00 0.00 -0.52 -1.11 121.76 117.21 3koy s ALA 611 Ca 0.04 1.17 -0.23 0.00 0.00 0.00 0.00 51.96 52.93 3koy s ALA 611 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 3koy s ALA 611 CO 0.04 -0.33 0.73 0.99 0.00 0.00 0.00 175.76 177.19 3koy s THR 612 N -0.91 4.93 0.00 0.00 2.01 -0.13 -0.01 115.64 121.52 3koy s THR 612 Ca -0.09 1.39 0.03 0.00 0.31 0.00 0.00 61.69 63.33 3koy s THR 612 Cb -0.02 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 3koy s THR 612 CO 0.07 0.02 -0.06 0.54 -0.69 0.00 0.00 174.62 174.50 3koy s VAL 613 N 2.33 3.72 0.00 3.82 0.11 -0.85 -2.30 120.40 127.23 3koy s VAL 613 Ca 0.32 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 3koy s VAL 613 Cb -0.16 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.07 3koy s VAL 613 CO 0.10 0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.87 3koy n GLY 614 N 1.54 0.94 2.39 6.54 0.00 0.14 -4.06 105.19 112.68 3koy n GLY 614 Ca -0.15 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 3koy n GLY 614 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3koy n GLU 615 N 2.25 2.84 -3.89 1.61 1.02 -1.26 -3.33 120.64 119.88 3koy n GLU 615 Ca 0.00 -3.48 -0.36 0.00 -0.02 0.00 0.00 57.16 53.31 3koy n GLU 615 Cb 0.00 -2.28 -0.11 0.00 -0.02 0.00 0.00 31.44 29.03 3koy n GLU 615 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3koy s ASP 616 N -2.00 5.50 0.00 1.62 3.68 -1.26 -4.90 116.67 119.31 3koy s ASP 616 Ca 0.61 -0.03 0.24 0.00 2.13 0.00 0.00 52.55 55.50 3koy s ASP 616 Cb 0.48 -1.96 0.22 0.00 -1.45 0.00 0.00 42.92 40.21 3koy s ASP 616 CO -0.07 0.08 1.22 -0.62 0.13 0.00 0.00 175.17 175.90 3koy n GLU 617 N 4.15 0.41 -2.06 4.34 -0.58 -1.26 -1.09 120.64 124.55 3koy n GLU 617 Ca -0.16 -0.30 -0.43 0.00 -0.42 0.00 0.00 57.16 55.85 3koy n GLU 617 Cb 0.52 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.87 3koy n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3koy s HIS 618 N -2.80 1.93 -0.17 -0.32 3.76 -1.26 -4.84 115.29 111.60 3koy s HIS 618 Ca 0.14 0.60 0.08 0.00 -0.15 0.00 0.00 55.06 55.73 3koy s HIS 618 Cb 0.17 -4.13 -0.16 0.00 1.11 0.00 0.00 32.58 29.58 3koy s HIS 618 CO 0.69 -2.87 -0.04 -1.13 -0.85 0.00 0.00 174.74 170.54 3koy n SER 619 N 9.71 1.83 -0.34 1.40 3.41 -1.26 -4.66 113.62 123.71 3koy n SER 619 Ca 0.21 -0.04 0.20 0.00 -0.26 0.00 0.00 58.87 58.98 3koy n SER 619 Cb 0.46 0.37 0.42 0.00 -0.26 0.00 0.00 64.21 65.20 3koy n SER 619 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3koy h VAL 620 N 0.00 0.45 0.25 -3.33 2.07 -1.98 -2.92 116.25 110.79 3koy h VAL 620 Ca -0.41 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3koy h VAL 620 Cb 1.81 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3koy h VAL 620 CO -0.02 0.09 -0.12 1.23 0.02 0.00 0.00 177.57 178.77 3koy h GLY 621 N 0.49 -0.35 0.85 2.17 0.00 -2.00 -0.59 103.07 103.63 3koy h GLY 621 Ca 0.67 0.13 0.01 0.00 0.00 0.00 0.00 47.33 48.15 3koy h GLY 621 CO -0.52 -0.13 -0.06 -2.00 0.00 0.00 0.00 176.54 173.83 3koy h LEU 622 N -0.45 -0.17 -1.26 3.11 5.85 -1.84 -2.35 115.31 118.20 3koy h LEU 622 Ca -0.03 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3koy h LEU 622 Cb 0.34 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3koy h LEU 622 CO 0.06 -0.09 0.00 0.54 -0.34 0.00 0.00 178.44 178.61 3koy n ARG 623 N -5.17 0.13 0.20 1.25 1.74 -1.14 -1.21 116.66 112.45 3koy n ARG 623 Ca -0.06 0.61 0.12 0.00 -0.77 0.00 0.00 57.85 57.75 3koy n ARG 623 Cb 0.10 -1.91 0.18 0.00 -1.02 0.00 0.00 32.46 29.81 3koy n ARG 623 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3koy h GLU 624 N 0.00 0.00 -0.27 5.56 4.57 -0.53 -2.18 114.58 121.72 3koy h GLU 624 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3koy h GLU 624 Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3koy h GLU 624 CO 0.00 0.00 0.00 1.33 -1.18 0.00 0.00 179.01 179.16 3koy n VAL 625 N -2.97 2.10 0.05 0.32 0.24 -0.35 -4.40 118.33 113.32 3koy n VAL 625 Ca 0.04 -1.75 0.00 0.00 -2.04 0.00 0.00 64.34 60.59 3koy n VAL 625 Cb 0.52 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 3koy n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3koy n ILE 626 N -0.36 1.21 -1.52 1.34 5.41 -1.15 -1.65 119.36 122.65 3koy n ILE 626 Ca 0.20 0.40 -0.48 0.00 1.00 0.00 0.00 62.75 63.87 3koy n ILE 626 Cb 0.82 -1.57 -0.03 0.00 -0.71 0.00 0.00 39.64 38.16 3koy n ILE 626 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3koy n ASP 627 N -3.50 0.35 0.30 4.38 8.00 -0.83 -2.54 116.55 122.71 3koy n ASP 627 Ca 0.00 1.15 0.16 0.00 0.71 0.00 0.00 54.79 56.81 3koy n ASP 627 Cb 0.00 -1.13 0.92 0.00 -0.02 0.00 0.00 41.12 40.89 3koy n ASP 627 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3koy h ILE 628 N 1.86 0.45 -0.60 0.53 2.10 -1.91 -2.27 117.51 117.67 3koy h ILE 628 Ca -0.37 -0.12 0.06 0.00 1.08 0.00 0.00 64.86 65.51 3koy h ILE 628 Cb 1.38 1.08 -0.09 0.00 -1.09 0.00 0.00 36.82 38.10 3koy h ILE 628 CO 0.62 0.02 -0.56 0.50 -1.08 0.00 0.00 178.15 177.65 3koy h LYS 629 N 0.00 -0.26 -0.75 2.19 1.63 -1.92 -3.09 116.57 114.37 3koy h LYS 629 Ca -0.00 0.02 -0.52 0.00 -0.85 0.00 0.00 60.65 59.29 3koy h LYS 629 Cb 0.08 0.06 -0.34 0.00 -0.60 0.00 0.00 32.23 31.43 3koy h LYS 629 CO 0.00 -0.17 -0.22 0.72 -3.45 0.00 0.00 179.45 176.33 3koy n HIS 630 N -5.34 2.60 -2.09 1.91 8.25 -1.24 -4.91 115.22 114.40 3koy n HIS 630 Ca -0.02 -2.35 0.00 0.00 -0.26 0.00 0.00 57.72 55.09 3koy n HIS 630 Cb 0.32 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.75 3koy n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3koy n GLY 631 N -0.84 0.69 3.87 -1.41 0.00 -1.17 -4.57 105.19 101.76 3koy n GLY 631 Ca 0.47 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3koy n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3koy s GLY 632 N -2.94 1.65 0.59 -0.02 0.00 -0.85 -2.01 107.32 103.74 3koy s GLY 632 Ca 0.00 -0.12 0.34 0.00 0.00 0.00 0.00 44.72 44.94 3koy s GLY 632 CO 0.00 0.16 2.21 0.16 0.00 0.00 0.00 173.10 175.63 3koy h ILE 633 N -0.33 0.35 -1.22 0.90 3.07 -1.29 0.13 117.51 119.11 3koy h ILE 633 Ca -0.44 -0.21 0.36 0.00 1.55 0.00 0.00 64.86 66.11 3koy h ILE 633 Cb 1.19 1.15 -0.09 0.00 -0.27 0.00 0.00 36.82 38.81 3koy h ILE 633 CO 0.62 0.04 0.83 -0.08 -1.05 0.00 0.00 178.15 178.50 3koy h GLU 634 N 0.00 0.17 0.00 0.16 4.81 -1.75 -1.22 114.58 116.75 3koy h GLU 634 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3koy h GLU 634 Cb 0.15 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3koy h GLU 634 CO 0.00 0.11 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.13 3koy h LYS 635 N 0.17 0.00 -0.20 1.92 3.64 -0.96 -2.66 116.57 118.47 3koy h LYS 635 Ca 0.67 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.05 3koy h LYS 635 Cb 2.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.99 3koy h LYS 635 CO -0.22 0.05 0.00 0.66 -2.27 0.00 0.00 179.45 177.67 3koy n TYR 636 N -4.43 0.24 -0.10 1.91 4.01 -0.46 -4.94 117.16 113.38 3koy n TYR 636 Ca -0.03 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3koy n TYR 636 Cb 0.13 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 3koy n TYR 636 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3koy n GLY 637 N 1.25 0.92 3.72 2.72 0.00 -1.00 -4.65 105.19 108.15 3koy n GLY 637 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3koy n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3koy s VAL 638 N -2.01 2.38 -0.97 1.61 1.01 -1.20 -4.73 120.40 116.49 3koy s VAL 638 Ca 0.00 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.03 3koy s VAL 638 Cb 0.00 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.25 3koy s VAL 638 CO 0.00 0.03 1.40 -0.70 0.00 0.00 0.00 175.10 175.82 3koy s GLU 639 N 0.84 3.52 -0.38 2.72 2.12 0.82 -4.61 118.70 123.73 3koy s GLU 639 Ca 0.70 -1.01 -0.24 0.00 0.36 0.00 0.00 54.97 54.77 3koy s GLU 639 Cb -0.46 -5.13 0.01 0.00 0.26 0.00 0.00 34.13 28.81 3koy s GLU 639 CO 0.34 -2.17 0.85 0.08 -0.54 0.00 0.00 175.26 173.83 3koy s VAL 640 N 4.96 4.65 -0.46 3.70 1.01 -1.26 -0.38 120.40 132.62 3koy s VAL 640 Ca 0.43 0.98 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 3koy s VAL 640 Cb -0.02 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 32.13 3koy s VAL 640 CO -0.06 -0.52 0.42 -1.00 0.00 0.00 0.00 175.10 173.94 3koy s HIS 641 N 3.32 3.20 -0.22 5.22 3.76 0.34 -4.97 115.29 125.94 3koy s HIS 641 Ca 0.34 -0.71 -0.10 0.00 -0.15 0.00 0.00 55.06 54.44 3koy s HIS 641 Cb -0.12 -3.07 -0.05 0.00 1.11 0.00 0.00 32.58 30.45 3koy s HIS 641 CO 0.19 -0.78 0.15 -0.47 -0.85 0.00 0.00 174.74 172.98 3koy s TYR 642 N 1.89 3.35 -0.30 1.40 5.04 -1.26 -1.00 117.35 126.46 3koy s TYR 642 Ca 0.07 0.27 0.23 0.00 -2.44 0.00 0.00 57.07 55.20 3koy s TYR 642 Cb -0.21 -2.23 -0.02 0.00 0.35 0.00 0.00 41.96 39.85 3koy s TYR 642 CO 0.09 0.15 0.97 1.28 -1.34 0.00 0.00 175.55 176.71 3koy n LEU 643 N 3.99 0.65 0.00 6.97 4.77 -0.27 -4.96 117.00 128.16 3koy n LEU 643 Ca -0.15 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3koy n LEU 643 Cb 0.52 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3koy n LEU 643 CO 0.36 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3koy n GLY 644 N 1.24 -0.94 3.93 -0.72 0.00 -1.26 -4.95 105.19 102.49 3koy n GLY 644 Ca -0.00 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 3koy n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3koy s THR 645 N 0.00 1.64 -1.18 2.61 -4.23 -1.26 -0.96 115.64 112.26 3koy s THR 645 Ca 0.00 -1.43 -0.13 0.00 -1.18 0.00 0.00 61.69 58.95 3koy s THR 645 Cb 0.00 -2.07 0.12 0.00 1.34 0.00 0.00 72.50 71.89 3koy s THR 645 CO 0.00 0.00 0.41 -1.20 -0.54 0.00 0.00 174.62 173.29 3koy n SER 646 N -1.85 -2.23 -4.70 3.99 7.64 -0.25 -4.89 113.62 111.33 3koy n SER 646 Ca 0.00 -0.50 -0.41 0.00 1.01 0.00 0.00 58.87 58.98 3koy n SER 646 Cb 0.64 -1.93 -0.04 0.00 -1.01 0.00 0.00 64.21 61.87 3koy n SER 646 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3koy s VAL 647 N -2.81 4.97 0.21 0.44 1.01 -0.97 -4.73 120.40 118.52 3koy s VAL 647 Ca 0.47 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 3koy s VAL 647 Cb -0.27 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 31.92 3koy s VAL 647 CO 0.58 0.16 1.41 -2.84 0.00 0.00 0.00 175.10 174.41 3koy s PRO 648 N 1.32 4.30 0.27 2.72 0.02 -1.26 0.24 135.00 142.62 3koy s PRO 648 Ca 0.39 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.63 3koy s PRO 648 Cb -0.18 -3.15 0.62 0.00 0.02 0.00 0.00 34.50 31.81 3koy s PRO 648 CO 0.17 -0.39 1.72 0.28 -0.33 0.00 0.00 177.00 178.45 3koy h VAL 649 N 3.72 0.59 -0.73 3.83 2.07 -1.95 0.20 116.25 123.99 3koy h VAL 649 Ca -0.45 -0.16 0.12 0.00 0.82 0.00 0.00 66.70 67.03 3koy h VAL 649 Cb 1.21 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3koy h VAL 649 CO 0.80 0.09 0.48 -0.08 0.02 0.00 0.00 177.57 178.88 3koy h GLU 650 N 0.48 0.49 0.01 1.57 4.22 -1.94 -2.77 114.58 116.64 3koy h GLU 650 Ca 0.50 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.89 3koy h GLU 650 Cb 0.85 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3koy h GLU 650 CO -0.46 0.32 -0.11 0.87 -2.18 0.00 0.00 179.01 177.46 3koy h LYS 651 N 0.50 0.05 -0.90 1.92 6.56 -1.01 -2.50 116.57 121.19 3koy h LYS 651 Ca 0.35 -0.07 0.08 0.00 -1.06 0.00 0.00 60.65 59.95 3koy h LYS 651 Cb 0.66 0.02 -0.11 0.00 -0.57 0.00 0.00 32.23 32.24 3koy h LYS 651 CO -0.12 0.94 -0.53 -0.11 -2.06 0.00 0.00 179.45 177.57 3koy n LEU 652 N -4.58 -0.96 0.11 2.94 7.94 -0.69 -0.74 117.00 121.02 3koy n LEU 652 Ca -0.10 1.65 -0.15 0.00 -1.11 0.00 0.00 56.01 56.30 3koy n LEU 652 Cb 0.48 -0.23 -0.08 0.00 0.53 0.00 0.00 43.42 44.13 3koy n LEU 652 CO 0.36 -1.33 0.57 0.58 -1.11 0.00 0.00 177.39 176.46 3koy h VAL 653 N 0.00 0.11 -0.97 1.96 2.07 -1.56 -1.51 116.25 116.34 3koy h VAL 653 Ca 0.14 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.90 3koy h VAL 653 Cb 0.37 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 3koy h VAL 653 CO -0.85 0.00 0.65 0.44 0.02 0.00 0.00 177.57 177.83 3koy h ASP 654 N -0.68 0.35 0.07 0.57 3.32 -0.58 0.17 116.42 119.64 3koy h ASP 654 Ca 0.02 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3koy h ASP 654 Cb 0.70 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3koy h ASP 654 CO -0.26 0.11 -0.04 0.00 -1.72 0.00 0.00 179.24 177.33 3koy h ALA 655 N 1.59 -0.10 -1.04 3.45 0.00 -0.46 -0.83 119.26 121.87 3koy h ALA 655 Ca 0.51 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 55.46 3koy h ALA 655 Cb 1.42 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 3koy h ALA 655 CO -0.19 -0.32 0.66 0.00 0.00 0.00 0.00 179.25 179.41 3koy h ALA 656 N 0.28 2.17 0.09 0.00 0.00 0.28 0.66 119.26 122.75 3koy h ALA 656 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3koy h ALA 656 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3koy h ALA 656 CO 0.02 -0.59 -0.05 0.82 0.00 0.00 0.00 179.25 179.45 3koy h ILE 657 N 0.42 1.04 -0.75 0.00 2.04 -0.97 -0.57 117.51 118.72 3koy h ILE 657 Ca 0.60 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 65.14 3koy h ILE 657 Cb 1.47 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 39.32 3koy h ILE 657 CO -0.32 0.29 0.49 -0.08 0.00 0.00 0.00 178.15 178.53 3koy h GLU 658 N -0.86 0.82 -0.55 2.37 4.81 -0.46 -2.62 114.58 118.09 3koy h GLU 658 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3koy h GLU 658 Cb 0.58 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3koy h GLU 658 CO 0.02 0.54 0.00 1.28 -0.73 0.00 0.00 179.01 180.12 3koy n LEU 659 N -4.47 2.92 -2.55 1.64 4.77 0.23 -4.90 117.00 114.63 3koy n LEU 659 Ca 0.11 -1.46 -0.12 0.00 -0.03 0.00 0.00 56.01 54.51 3koy n LEU 659 Cb 0.18 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3koy n LEU 659 CO 0.34 0.73 -0.13 2.29 -1.33 0.00 0.00 177.39 179.29 3koy n LYS 660 N 1.10 -2.46 -1.20 3.23 0.00 -0.88 -4.87 118.16 113.07 3koy n LYS 660 Ca 0.18 0.51 -0.35 0.00 -0.00 0.00 0.00 58.31 58.66 3koy n LYS 660 Cb 0.46 -5.11 0.10 0.00 -0.00 0.00 0.00 35.03 30.47 3koy n LYS 660 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3koy n ALA 661 N -2.40 -0.79 -0.09 0.58 0.00 -0.27 -4.94 120.51 112.61 3koy n ALA 661 Ca -0.11 -0.29 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 3koy n ALA 661 Cb 0.59 -2.05 -0.14 0.00 0.00 0.00 0.00 19.45 17.86 3koy n ALA 661 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3koy n ASP 662 N -1.69 1.15 -4.19 0.00 8.00 0.39 -4.93 116.55 115.28 3koy n ASP 662 Ca 0.12 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.49 3koy n ASP 662 Cb 0.50 0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.59 3koy n ASP 662 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koy s ALA 663 N -2.52 1.17 -0.20 2.24 0.00 -1.13 -1.20 121.76 120.12 3koy s ALA 663 Ca -0.21 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 3koy s ALA 663 Cb 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 3koy s ALA 663 CO 0.73 -0.07 -0.02 0.42 0.00 0.00 0.00 175.76 176.82 3koy s ILE 664 N -2.75 3.76 -0.20 0.00 1.01 0.18 -1.93 121.20 121.26 3koy s ILE 664 Ca 0.08 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 3koy s ILE 664 Cb -0.01 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 3koy s ILE 664 CO -0.00 0.43 0.02 -0.76 0.00 0.00 0.00 174.94 174.63 3koy s LEU 665 N 1.06 3.39 -0.06 2.97 1.43 0.34 -0.79 118.68 127.03 3koy s LEU 665 Ca 0.02 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3koy s LEU 665 Cb -0.14 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 3koy s LEU 665 CO 0.01 0.09 -0.19 0.00 0.23 0.00 0.00 176.35 176.49 3koy s ALA 666 N 0.86 1.68 -0.16 4.21 0.00 -0.32 -1.44 121.76 126.59 3koy s ALA 666 Ca 0.01 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 3koy s ALA 666 Cb -0.14 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 3koy s ALA 666 CO 0.02 0.28 0.27 0.45 0.00 0.00 0.00 175.76 176.78 3koy s SER 667 N 0.13 6.41 -0.43 0.00 0.15 0.98 -1.61 113.70 119.33 3koy s SER 667 Ca -0.07 0.47 0.02 0.00 0.70 0.00 0.00 55.95 57.07 3koy s SER 667 Cb -0.13 -2.17 0.14 0.00 -1.71 0.00 0.00 66.02 62.14 3koy s SER 667 CO 0.03 0.11 0.24 0.28 1.20 0.00 0.00 173.24 175.10 3koy s THR 668 N 0.45 1.27 -0.10 6.45 -1.32 0.96 -2.00 115.64 121.35 3koy s THR 668 Ca 0.15 -2.47 -0.08 0.00 -1.21 0.00 0.00 61.69 58.08 3koy s THR 668 Cb -0.13 -1.89 -0.03 0.00 -1.51 0.00 0.00 72.50 68.94 3koy s THR 668 CO 0.03 -0.91 -0.16 -0.38 -2.21 0.00 0.00 174.62 171.00 3koy n ILE 669 N 3.59 0.95 -1.69 5.08 2.08 -1.26 -4.20 119.36 123.91 3koy n ILE 669 Ca 0.09 0.30 -0.44 0.00 0.56 0.00 0.00 62.75 63.25 3koy n ILE 669 Cb 0.35 -2.08 -0.04 0.00 -0.75 0.00 0.00 39.64 37.12 3koy n ILE 669 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3koy n ILE 670 N -3.80 0.04 -0.39 1.39 5.41 -1.26 -4.62 119.36 116.13 3koy n ILE 670 Ca -0.06 -0.01 0.04 0.00 1.00 0.00 0.00 62.75 63.72 3koy n ILE 670 Cb 0.24 -1.76 0.08 0.00 -0.71 0.00 0.00 39.64 37.49 3koy n ILE 670 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3koy n SER 671 N 3.86 2.38 -4.65 4.38 3.41 -1.26 -4.02 113.62 117.72 3koy n SER 671 Ca 0.17 -2.37 -0.42 0.00 -0.26 0.00 0.00 58.87 55.99 3koy n SER 671 Cb 0.32 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 3koy n SER 671 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3koy s HIS 672 N -1.64 1.34 0.00 7.33 5.04 -1.26 -2.10 115.29 124.01 3koy s HIS 672 Ca 0.15 -0.23 0.00 0.00 -1.54 0.00 0.00 55.06 53.44 3koy s HIS 672 Cb 0.12 -4.17 0.00 0.00 0.04 0.00 0.00 32.58 28.57 3koy s HIS 672 CO 0.04 -5.14 0.00 -3.47 -2.34 0.00 0.00 174.74 163.83 3koy n ASP 673 N 8.14 -2.12 -2.41 9.88 2.03 -1.26 -2.37 116.55 128.43 3koy n ASP 673 Ca 0.21 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.37 3koy n ASP 673 Cb 0.42 -0.49 -0.01 0.00 -0.72 0.00 0.00 41.12 40.32 3koy n ASP 673 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3koy n ASP 674 N 1.97 -4.56 0.29 1.67 8.00 -0.89 -4.84 116.55 118.20 3koy n ASP 674 Ca 0.00 0.13 0.15 0.00 0.71 0.00 0.00 54.79 55.78 3koy n ASP 674 Cb 0.21 -3.84 0.89 0.00 -0.02 0.00 0.00 41.12 38.35 3koy n ASP 674 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3koy h ILE 675 N 0.00 0.53 -0.07 0.53 6.09 -1.59 -0.97 117.51 122.03 3koy h ILE 675 Ca -0.36 -0.10 -0.07 0.00 -1.37 0.00 0.00 64.86 62.96 3koy h ILE 675 Cb 1.26 1.07 0.00 0.00 0.47 0.00 0.00 36.82 39.62 3koy h ILE 675 CO 0.42 0.02 -0.23 1.12 -3.07 0.00 0.00 178.15 176.41 3koy h HIS 676 N 0.00 0.37 -0.31 2.19 2.07 -1.82 -2.47 115.15 115.18 3koy h HIS 676 Ca -0.00 -0.15 -0.09 0.00 -2.85 0.00 0.00 60.37 57.27 3koy h HIS 676 Cb 0.06 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 3koy h HIS 676 CO 0.00 0.85 -0.20 1.88 -3.07 0.00 0.00 177.93 177.39 3koy h TYR 677 N -0.21 0.65 -0.02 6.12 0.05 -1.84 -2.43 116.97 119.28 3koy h TYR 677 Ca -0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.63 3koy h TYR 677 Cb 0.86 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.44 3koy h TYR 677 CO 0.12 0.75 -0.04 0.87 -1.05 0.00 0.00 178.16 178.81 3koy h LYS 678 N 0.52 0.03 0.05 4.88 1.57 -1.09 0.46 116.57 123.00 3koy h LYS 678 Ca 0.08 -0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.55 3koy h LYS 678 Cb 0.64 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 3koy h LYS 678 CO 0.05 0.08 -1.72 -0.91 -0.57 0.00 0.00 179.45 176.37 3koy h ASN 679 N 0.03 0.17 -0.67 0.86 2.35 -1.35 -2.66 115.58 114.32 3koy h ASN 679 Ca 0.01 -0.34 0.13 0.00 -0.55 0.00 0.00 56.30 55.54 3koy h ASN 679 Cb 0.09 -0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.31 3koy h ASN 679 CO 0.01 1.30 0.18 0.24 -1.65 0.00 0.00 177.43 177.51 3koy h MET 680 N 0.03 0.30 -0.30 0.81 2.86 -0.89 -0.87 114.93 116.86 3koy h MET 680 Ca -0.30 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.18 3koy h MET 680 Cb 2.01 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.59 3koy h MET 680 CO 0.10 0.20 -0.38 -0.22 1.06 0.00 0.00 176.91 177.66 3koy h LYS 681 N 0.30 0.71 0.00 1.72 3.64 -0.99 -2.94 116.57 119.02 3koy h LYS 681 Ca 0.36 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3koy h LYS 681 Cb 0.56 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3koy h LYS 681 CO -0.43 0.97 -0.32 0.00 -2.27 0.00 0.00 179.45 177.41 3koy h ARG 682 N 0.59 0.00 0.02 1.90 2.47 -0.99 -1.80 114.38 116.56 3koy h ARG 682 Ca 0.05 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3koy h ARG 682 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 3koy h ARG 682 CO 0.08 0.32 -0.01 0.82 0.56 0.00 0.00 179.97 181.74 3koy h ILE 683 N 0.00 1.36 0.02 2.04 2.04 -1.08 0.17 117.51 122.07 3koy h ILE 683 Ca -0.00 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.67 3koy h ILE 683 Cb 0.68 2.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.89 3koy h ILE 683 CO 0.04 0.31 -0.31 -0.74 0.00 0.00 0.00 178.15 177.45 3koy h HIS 684 N -0.56 -0.84 -0.42 1.37 2.76 -1.43 -1.01 115.15 115.01 3koy h HIS 684 Ca -0.00 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.26 3koy h HIS 684 Cb 0.53 0.37 -0.06 0.00 1.55 0.00 0.00 27.41 29.80 3koy h HIS 684 CO 0.11 -0.40 0.09 0.93 -1.30 0.00 0.00 177.93 177.35 3koy h GLU 685 N -0.47 0.22 0.00 5.26 5.08 -1.34 -0.51 114.58 122.82 3koy h GLU 685 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3koy h GLU 685 Cb 0.55 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3koy h GLU 685 CO -0.25 0.15 -0.03 -0.07 -1.00 0.00 0.00 179.01 177.81 3koy h LEU 686 N 0.23 0.00 0.00 1.33 3.38 -0.22 0.15 115.31 120.18 3koy h LEU 686 Ca 0.20 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 3koy h LEU 686 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3koy h LEU 686 CO -0.26 0.03 -1.41 0.00 0.09 0.00 0.00 178.44 176.89 3koy h ALA 687 N 1.97 0.63 0.21 1.53 0.00 0.15 -3.03 119.26 120.71 3koy h ALA 687 Ca -0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 54.91 53.70 3koy h ALA 687 Cb 0.08 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3koy h ALA 687 CO 0.00 1.39 -0.10 0.28 0.00 0.00 0.00 179.25 180.83 3koy h VAL 688 N 0.00 0.76 -1.66 0.00 2.07 0.14 -1.84 116.25 115.72 3koy h VAL 688 Ca -0.18 -0.98 0.48 0.00 0.82 0.00 0.00 66.70 66.84 3koy h VAL 688 Cb 1.88 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 32.81 3koy h VAL 688 CO 0.09 0.18 1.19 -0.08 0.02 0.00 0.00 177.57 178.97 3koy h GLU 689 N -0.86 0.01 -0.18 1.57 4.81 -0.88 0.25 114.58 119.31 3koy h GLU 689 Ca -0.03 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3koy h GLU 689 Cb 0.51 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3koy h GLU 689 CO 0.05 0.01 0.00 1.63 -0.73 0.00 0.00 179.01 179.96 3koy n LYS 690 N -4.08 1.94 -3.43 1.92 5.02 -1.12 -5.01 118.16 113.40 3koy n LYS 690 Ca 0.37 -1.84 -0.17 0.00 -2.02 0.00 0.00 58.31 54.64 3koy n LYS 690 Cb 1.71 -1.39 0.08 0.00 -0.02 0.00 0.00 35.03 35.41 3koy n LYS 690 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3koy n GLY 691 N 1.10 -0.57 0.00 0.72 0.00 0.89 -4.89 105.19 102.45 3koy n GLY 691 Ca 0.13 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3koy n GLY 691 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3koy n ILE 692 N -3.93 0.00 -0.23 -0.61 -5.35 -0.84 -4.91 119.36 103.49 3koy n ILE 692 Ca -0.23 -0.11 0.04 0.00 -0.27 0.00 0.00 62.75 62.18 3koy n ILE 692 Cb 0.66 0.91 0.16 0.00 -1.74 0.00 0.00 39.64 39.62 3koy n ILE 692 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3koy h ARG 693 N 0.00 0.30 0.00 6.28 9.65 -1.80 0.36 114.38 129.17 3koy h ARG 693 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3koy h ARG 693 Cb 0.00 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 3koy h ARG 693 CO 0.00 0.20 0.00 -0.40 2.80 0.00 0.00 179.97 182.57 3koy n ASP 694 N -5.11 0.00 -0.35 -3.80 5.75 -1.26 -3.36 116.55 108.42 3koy n ASP 694 Ca 0.12 0.02 0.03 0.00 -0.01 0.00 0.00 54.79 54.96 3koy n ASP 694 Cb 0.40 -0.32 0.07 0.00 -1.03 0.00 0.00 41.12 40.24 3koy n ASP 694 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3koy n LYS 695 N -1.32 1.92 -4.38 0.11 4.81 0.12 -5.03 118.16 114.38 3koy n LYS 695 Ca 0.11 -1.52 -0.19 0.00 -0.87 0.00 0.00 58.31 55.84 3koy n LYS 695 Cb 0.22 -1.15 -0.10 0.00 0.02 0.00 0.00 35.03 34.02 3koy n LYS 695 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3koy s ILE 696 N -0.85 1.09 -0.06 3.15 2.07 -0.71 -4.98 121.20 120.91 3koy s ILE 696 Ca 0.12 -2.03 0.06 0.00 -1.41 0.00 0.00 60.65 57.39 3koy s ILE 696 Cb 0.07 -2.53 -0.01 0.00 0.13 0.00 0.00 42.46 40.11 3koy s ILE 696 CO 0.09 -0.18 -0.23 -0.04 -1.91 0.00 0.00 174.94 172.68 3koy s MET 697 N -3.88 2.54 -0.25 3.50 -1.94 -0.34 -4.97 119.30 113.96 3koy s MET 697 Ca 0.32 -0.86 -0.00 0.00 -1.71 0.00 0.00 55.69 53.44 3koy s MET 697 Cb 0.07 -2.21 0.07 0.00 2.01 0.00 0.00 34.83 34.77 3koy s MET 697 CO 0.12 0.43 0.01 0.42 -0.01 0.00 0.00 175.02 175.99 3koy s ILE 698 N -0.28 1.22 -0.11 2.53 1.01 -1.26 0.50 121.20 124.81 3koy s ILE 698 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.46 3koy s ILE 698 Cb -0.13 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 3koy s ILE 698 CO 0.03 -0.28 -0.12 -0.83 0.00 0.00 0.00 174.94 173.74 3koy s GLY 699 N 1.51 1.57 0.03 6.18 0.00 0.03 -1.09 107.32 115.55 3koy s GLY 699 Ca -0.00 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 43.87 3koy s GLY 699 CO -0.11 -0.34 -0.16 0.00 0.00 0.00 0.00 173.10 172.50 3koy s GLY 701 N -1.01 0.69 0.00 0.00 0.00 -0.63 -1.02 107.32 105.34 3koy s GLY 701 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.64 3koy s GLY 701 CO 0.01 -1.04 0.00 0.61 0.00 0.00 0.00 173.10 172.68 3koy n GLY 702 N -0.17 2.40 0.28 0.20 0.00 0.13 -0.02 105.19 108.00 3koy n GLY 702 Ca -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.09 3koy n GLY 702 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3koy h THR 703 N 0.80 0.81 -0.54 2.61 2.02 -1.82 -1.49 112.91 115.29 3koy h THR 703 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3koy h THR 703 Cb 0.00 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3koy h THR 703 CO 0.00 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.00 3koy n GLN 704 N -4.87 3.52 -3.04 6.66 1.13 -1.26 -4.24 117.38 115.28 3koy n GLN 704 Ca 0.13 -2.48 -0.40 0.00 -1.94 0.00 0.00 57.00 52.30 3koy n GLN 704 Cb 0.31 -1.87 -0.05 0.00 0.11 0.00 0.00 30.24 28.75 3koy n GLN 704 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3koy s VAL 705 N -1.93 5.03 -0.20 5.09 1.01 -0.56 -5.05 120.40 123.80 3koy s VAL 705 Ca 0.44 1.44 -0.04 0.00 0.00 0.00 0.00 61.98 63.82 3koy s VAL 705 Cb 0.29 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3koy s VAL 705 CO 0.20 0.22 -0.03 -0.89 0.00 0.00 0.00 175.10 174.60 3koy s THR 706 N 1.01 3.67 0.25 3.92 2.01 -1.26 -4.21 115.64 121.03 3koy s THR 706 Ca 0.37 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 3koy s THR 706 Cb -0.17 -2.65 0.22 0.00 0.01 0.00 0.00 72.50 69.90 3koy s THR 706 CO 0.17 0.44 1.73 -0.65 -0.69 0.00 0.00 174.62 175.62 3koy h PRO 707 N 7.56 0.46 0.38 4.92 0.11 -1.93 -1.03 132.00 142.46 3koy h PRO 707 Ca -0.36 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 3koy h PRO 707 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3koy h PRO 707 CO 0.60 0.30 -0.18 0.93 -0.21 0.00 0.00 178.00 179.44 3koy h GLU 708 N 0.47 -0.49 -0.56 1.05 3.07 -1.95 -1.76 114.58 114.41 3koy h GLU 708 Ca 0.42 0.03 0.15 0.00 -0.50 0.00 0.00 59.36 59.47 3koy h GLU 708 Cb 0.62 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 3koy h GLU 708 CO -0.39 -0.25 0.40 0.28 -1.40 0.00 0.00 179.01 177.64 3koy h VAL 709 N -0.64 0.74 0.00 3.13 2.07 -1.86 -1.27 116.25 118.42 3koy h VAL 709 Ca -0.05 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3koy h VAL 709 Cb 0.47 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3koy h VAL 709 CO 0.09 0.01 -0.57 0.00 0.02 0.00 0.00 177.57 177.12 3koy h ALA 710 N 1.72 0.74 -0.06 1.67 0.00 -0.97 -3.25 119.26 119.12 3koy h ALA 710 Ca 0.27 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 3koy h ALA 710 Cb 1.00 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.82 3koy h ALA 710 CO -0.01 0.37 -0.94 0.28 0.00 0.00 0.00 179.25 178.95 3koy h VAL 711 N 0.00 1.29 -0.71 0.00 2.07 -0.34 -3.18 116.25 115.37 3koy h VAL 711 Ca -0.03 -2.15 0.16 0.00 0.82 0.00 0.00 66.70 65.50 3koy h VAL 711 Cb 1.23 2.23 -0.12 0.00 -1.52 0.00 0.00 31.29 33.10 3koy h VAL 711 CO 0.03 0.67 0.01 0.11 0.02 0.00 0.00 177.57 178.41 3koy h LYS 712 N 0.44 0.11 0.00 1.57 1.79 -1.45 0.18 116.57 119.21 3koy h LYS 712 Ca -0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3koy h LYS 712 Cb 1.58 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 3koy h LYS 712 CO 0.19 0.07 0.03 1.04 -1.08 0.00 0.00 179.45 179.69 3koy n GLN 713 N -5.32 0.00 0.00 3.15 1.13 -1.20 -4.78 117.38 110.36 3koy n GLN 713 Ca 0.12 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 3koy n GLN 713 Cb 0.44 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.26 3koy n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3koy n GLY 714 N -1.25 0.49 3.85 1.08 0.00 0.62 -4.28 105.19 105.69 3koy n GLY 714 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3koy n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3koy s VAL 715 N -2.05 4.20 0.17 1.61 -7.23 -1.26 -4.92 120.40 110.93 3koy s VAL 715 Ca 0.00 0.71 0.01 0.00 -1.81 0.00 0.00 61.98 60.89 3koy s VAL 715 Cb 0.00 -3.59 -0.13 0.00 0.56 0.00 0.00 36.38 33.21 3koy s VAL 715 CO 0.00 -0.93 1.40 0.44 -0.31 0.00 0.00 175.10 175.70 3koy h ASP 716 N -0.56 0.34 -5.06 4.85 3.32 -1.44 -3.41 116.42 114.45 3koy h ASP 716 Ca -0.44 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.29 3koy h ASP 716 Cb 1.21 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.51 3koy h ASP 716 CO 0.60 1.02 -0.09 0.00 -1.72 0.00 0.00 179.24 179.05 3koy s ALA 717 N -3.36 -0.94 0.02 3.45 0.00 -1.07 -4.95 121.76 114.92 3koy s ALA 717 Ca -0.04 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3koy s ALA 717 Cb 0.10 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 3koy s ALA 717 CO 0.83 -0.57 -0.10 0.20 0.00 0.00 0.00 175.76 176.13 3koy s GLY 718 N -2.50 0.55 -0.02 0.00 0.00 -1.26 -1.94 107.32 102.15 3koy s GLY 718 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3koy s GLY 718 CO -0.08 -0.61 0.00 -1.36 0.00 0.00 0.00 173.10 171.05 3koy s PHE 719 N -0.76 0.21 0.00 1.90 0.08 -0.19 -4.45 117.98 114.77 3koy s PHE 719 Ca -0.01 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.06 3koy s PHE 719 Cb -0.07 -0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.09 3koy s PHE 719 CO 0.00 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.45 3koy n GLY 720 N 3.86 5.20 3.62 4.36 0.00 -1.26 -0.69 105.19 120.28 3koy n GLY 720 Ca -0.24 -1.57 -0.57 0.00 0.00 0.00 0.00 46.02 43.64 3koy n GLY 720 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3koy n ARG 721 N 0.00 0.72 -0.20 1.61 1.74 -1.26 -1.44 116.66 117.83 3koy n ARG 721 Ca 0.00 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3koy n ARG 721 Cb 0.00 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 3koy n ARG 721 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3koy n GLY 722 N 2.86 0.69 3.66 -0.13 0.00 -1.26 -5.03 105.19 105.98 3koy n GLY 722 Ca 0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.79 3koy n GLY 722 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3koy n SER 723 N 0.00 2.70 -4.56 1.61 7.64 -0.52 -5.00 113.62 115.49 3koy n SER 723 Ca 0.00 1.13 -0.26 0.00 1.01 0.00 0.00 58.87 60.75 3koy n SER 723 Cb 0.00 -1.40 -0.10 0.00 -1.01 0.00 0.00 64.21 61.69 3koy n SER 723 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3koy s LYS 724 N -0.01 1.86 0.32 1.43 1.02 -1.26 -4.91 119.74 118.19 3koy s LYS 724 Ca 0.72 -1.92 0.03 0.00 0.02 0.00 0.00 55.97 54.82 3koy s LYS 724 Cb -0.68 -1.73 0.54 0.00 -0.52 0.00 0.00 37.83 35.44 3koy s LYS 724 CO 0.46 0.13 1.84 0.78 -0.92 0.00 0.00 175.35 177.65 3koy h GLY 725 N 1.98 0.61 1.20 -3.33 0.00 -1.65 -2.72 103.07 99.15 3koy h GLY 725 Ca -0.42 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.53 3koy h GLY 725 CO 0.71 0.35 0.50 1.19 0.00 0.00 0.00 176.54 179.29 3koy h ILE 726 N 0.54 1.21 -0.04 2.60 6.09 -1.91 -0.30 117.51 125.69 3koy h ILE 726 Ca 0.11 -0.44 0.02 0.00 -1.37 0.00 0.00 64.86 63.18 3koy h ILE 726 Cb 0.38 0.07 -0.02 0.00 0.47 0.00 0.00 36.82 37.71 3koy h ILE 726 CO 0.01 0.22 -0.06 0.45 -3.07 0.00 0.00 178.15 175.71 3koy h HIS 727 N 1.09 -0.14 -0.10 2.19 3.86 -1.85 0.16 115.15 120.37 3koy h HIS 727 Ca 0.29 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.40 3koy h HIS 727 Cb -0.08 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3koy h HIS 727 CO 0.00 -0.09 -0.43 0.28 0.86 0.00 0.00 177.93 178.56 3koy h VAL 728 N -0.08 1.32 0.03 2.45 2.07 -1.35 -2.08 116.25 118.60 3koy h VAL 728 Ca 0.04 -1.55 -0.17 0.00 0.82 0.00 0.00 66.70 65.84 3koy h VAL 728 Cb 0.13 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3koy h VAL 728 CO -0.09 0.46 -0.68 0.00 0.02 0.00 0.00 177.57 177.29 3koy h ALA 729 N 1.37 0.04 -0.98 1.67 0.00 -0.88 -1.83 119.26 118.65 3koy h ALA 729 Ca 0.02 -0.60 0.15 0.00 0.00 0.00 0.00 54.91 54.48 3koy h ALA 729 Cb 0.84 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 3koy h ALA 729 CO 0.07 0.38 0.62 1.15 0.00 0.00 0.00 179.25 181.46 3koy h THR 730 N -0.12 0.82 -0.07 0.00 2.02 -0.58 0.10 112.91 115.07 3koy h THR 730 Ca -0.09 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.68 3koy h THR 730 Cb 1.41 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3koy h THR 730 CO 0.13 0.15 -0.50 0.15 0.37 0.00 0.00 175.52 175.82 3koy h PHE 731 N 0.84 0.23 0.04 3.16 3.57 -1.31 -2.57 116.94 120.89 3koy h PHE 731 Ca 0.52 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 3koy h PHE 731 Cb 0.71 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.41 3koy h PHE 731 CO -0.00 0.65 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.64 3koy h LEU 732 N 0.15 -0.05 -0.26 0.59 3.38 0.03 -2.34 115.31 116.81 3koy h LEU 732 Ca 0.01 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 3koy h LEU 732 Cb 0.94 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3koy h LEU 732 CO 0.07 0.44 -0.12 -0.37 0.09 0.00 0.00 178.44 178.55 3koy h VAL 733 N -0.55 1.30 0.13 1.22 -1.51 -1.29 -2.89 116.25 112.67 3koy h VAL 733 Ca -0.01 -1.19 -0.00 0.00 -1.23 0.00 0.00 66.70 64.27 3koy h VAL 733 Cb 0.49 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 3koy h VAL 733 CO 0.01 0.37 -0.20 0.11 -1.23 0.00 0.00 177.57 176.63 3koy h LYS 734 N 0.28 -0.34 -0.47 5.19 1.57 -1.56 -2.15 116.57 119.10 3koy h LYS 734 Ca 0.06 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.00 3koy h LYS 734 Cb 0.62 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 3koy h LYS 734 CO 0.04 -0.22 0.44 -0.22 -0.57 0.00 0.00 179.45 178.91 3koy h LYS 735 N -0.35 0.00 0.09 3.15 1.63 -1.48 -0.73 116.57 118.88 3koy h LYS 735 Ca -0.02 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.58 3koy h LYS 735 Cb 0.32 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.97 3koy h LYS 735 CO -0.06 0.00 -0.84 -0.09 -3.45 0.00 0.00 179.45 175.01 3koy h ARG 736 N 0.00 0.41 0.29 1.90 2.43 -1.30 -2.71 114.38 115.41 3koy h ARG 736 Ca 0.22 -0.56 -0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3koy h ARG 736 Cb 1.10 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 3koy h ARG 736 CO -0.00 1.22 -0.25 0.00 -1.51 0.00 0.00 179.97 179.43 3koy h ARG 737 N -0.13 -0.54 -0.66 0.20 3.08 -0.50 -2.20 114.38 113.63 3koy h ARG 737 Ca -0.13 0.04 0.19 0.00 0.07 0.00 0.00 59.98 60.15 3koy h ARG 737 Cb 1.59 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.73 3koy h ARG 737 CO 0.16 -0.36 0.74 1.49 -1.07 0.00 0.00 179.97 180.93 3koy h GLU 738 N -0.56 0.00 0.00 0.04 4.81 -1.34 0.63 114.58 118.16 3koy h GLU 738 Ca -0.02 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3koy h GLU 738 Cb 0.50 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3koy h GLU 738 CO -0.03 0.00 -1.13 0.52 -0.73 0.00 0.00 179.01 177.64 3koy h MET 739 N 0.00 0.00 0.00 1.92 2.86 -1.06 -3.51 114.93 115.14 3koy h MET 739 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3koy h MET 739 Cb 1.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.45 3koy h MET 739 CO -0.00 0.22 0.00 0.54 1.06 0.00 0.00 176.91 178.73