#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kox n GLN 6 N 0.00 0.12 -1.67 1.96 0.00 -1.26 -5.08 117.38 111.45 3kox n GLN 6 Ca 0.00 0.05 -0.50 0.00 -0.00 0.00 0.00 57.00 56.55 3kox n GLN 6 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 30.24 29.60 3kox n GLN 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3kox n LEU 7 N -3.13 2.90 -4.37 1.69 4.77 -1.26 -5.02 117.00 112.58 3kox n LEU 7 Ca -0.03 1.04 -0.33 0.00 -0.03 0.00 0.00 56.01 56.66 3kox n LEU 7 Cb 0.12 -1.32 -0.14 0.00 -2.33 0.00 0.00 43.42 39.75 3kox n LEU 7 CO 0.05 -0.33 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.20 3kox s ARG 8 N 2.60 3.38 0.49 3.23 1.81 -1.26 -5.01 118.95 124.18 3kox s ARG 8 Ca 0.89 -0.69 0.15 0.00 -1.72 0.00 0.00 55.73 54.36 3kox s ARG 8 Cb -0.80 -2.63 1.17 0.00 -0.45 0.00 0.00 34.95 32.24 3kox s ARG 8 CO 0.50 0.21 2.10 -0.39 -0.68 0.00 0.00 175.30 177.03 3kox h VAL 9 N 5.41 1.05 -0.55 3.52 -1.51 -2.01 0.23 116.25 122.39 3kox h VAL 9 Ca -0.26 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3kox h VAL 9 Cb 1.21 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 3kox h VAL 9 CO 0.55 0.06 0.00 -0.46 -1.23 0.00 0.00 177.57 176.49 3kox n ASN 10 N -4.47 3.62 -4.20 4.19 6.94 -1.26 -4.84 115.26 115.24 3kox n ASN 10 Ca -0.03 -2.22 -0.31 0.00 -0.02 0.00 0.00 54.58 52.01 3kox n ASN 10 Cb 0.14 -0.47 -0.17 0.00 -2.36 0.00 0.00 39.78 36.92 3kox n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3kox s GLU 11 N -1.57 2.70 0.28 -3.83 2.02 0.07 -5.13 118.70 113.24 3kox s GLU 11 Ca 0.40 -0.81 -0.28 0.00 0.02 0.00 0.00 54.97 54.30 3kox s GLU 11 Cb 0.24 -2.11 -0.14 0.00 0.10 0.00 0.00 34.13 32.21 3kox s GLU 11 CO 0.22 0.20 0.98 1.63 0.02 0.00 0.00 175.26 178.32 3kox n LYS 12 N 3.42 1.25 -1.64 1.61 5.02 -1.26 -4.61 118.16 121.94 3kox n LYS 12 Ca -0.19 0.44 -0.54 0.00 -2.02 0.00 0.00 58.31 56.00 3kox n LYS 12 Cb 0.53 -1.79 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 3kox n LYS 12 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kox n LEU 13 N 1.30 2.04 -4.39 -0.35 4.77 -1.26 -4.91 117.00 114.20 3kox n LEU 13 Ca 0.10 1.10 -0.45 0.00 -0.03 0.00 0.00 56.01 56.73 3kox n LEU 13 Cb 0.31 -1.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.19 3kox n LEU 13 CO 0.60 -0.76 0.70 -0.62 -1.33 0.00 0.00 177.39 175.98 3kox s ASP 14 N 1.73 6.68 0.24 -1.43 -1.08 -1.26 -4.87 116.67 116.69 3kox s ASP 14 Ca 0.90 -2.33 -0.03 0.00 -0.52 0.00 0.00 52.55 50.56 3kox s ASP 14 Cb -0.98 -2.31 0.28 0.00 -1.46 0.00 0.00 42.92 38.46 3kox s ASP 14 CO 0.53 -0.83 1.74 -0.37 0.52 0.00 0.00 175.17 176.76 3kox h VAL 15 N 5.34 1.25 -0.46 1.11 -1.51 -1.93 0.36 116.25 120.40 3kox h VAL 15 Ca 0.12 -1.03 0.09 0.00 -1.23 0.00 0.00 66.70 64.65 3kox h VAL 15 Cb 1.03 0.84 -0.09 0.00 -2.13 0.00 0.00 31.29 30.94 3kox h VAL 15 CO 0.94 0.37 -0.17 -0.08 -1.23 0.00 0.00 177.57 177.39 3kox h GLU 16 N 0.80 -0.07 -0.27 5.19 4.81 -1.97 0.12 114.58 123.20 3kox h GLU 16 Ca 0.15 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 3kox h GLU 16 Cb 0.47 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3kox h GLU 16 CO 0.02 -0.04 -0.40 -0.97 -0.73 0.00 0.00 179.01 176.89 3kox h ASN 17 N -0.07 0.67 -0.69 1.04 -1.24 -1.64 -2.29 115.58 111.36 3kox h ASN 17 Ca 0.22 -0.30 0.08 0.00 0.71 0.00 0.00 56.30 57.02 3kox h ASN 17 Cb 0.41 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 3kox h ASN 17 CO -0.51 0.99 0.46 0.40 -1.29 0.00 0.00 177.43 177.47 3kox h ILE 18 N 0.52 0.96 0.00 2.57 5.03 -0.34 -2.30 117.51 123.96 3kox h ILE 18 Ca 0.05 -0.22 0.00 0.00 -0.12 0.00 0.00 64.86 64.57 3kox h ILE 18 Cb 0.91 0.28 0.00 0.00 -3.03 0.00 0.00 36.82 34.98 3kox h ILE 18 CO 0.08 0.12 0.00 -0.07 -0.68 0.00 0.00 178.15 177.60 3kox h LEU 19 N 0.63 0.00 -9.74 1.44 3.38 -0.18 -3.44 115.31 107.40 3kox h LEU 19 Ca 0.31 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.67 3kox h LEU 19 Cb 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3kox h LEU 19 CO -0.10 0.00 -0.27 -0.54 0.09 0.00 0.00 178.44 177.62 3kox s LYS 20 N -3.50 3.77 -1.14 1.13 1.02 -0.87 -4.27 119.74 115.88 3kox s LYS 20 Ca 0.02 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.22 3kox s LYS 20 Cb 0.09 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3kox s LYS 20 CO 0.39 0.64 0.00 -0.25 -0.92 0.00 0.00 175.35 175.21 3kox n ASP 21 N 1.39 -4.16 0.27 2.83 9.92 -1.26 -4.91 116.55 120.63 3kox n ASP 21 Ca -0.12 0.18 0.14 0.00 -0.53 0.00 0.00 54.79 54.46 3kox n ASP 21 Cb 0.53 -2.93 0.75 0.00 -0.64 0.00 0.00 41.12 38.82 3kox n ASP 21 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3kox h LEU 22 N 0.00 0.00 -1.18 0.64 3.38 -1.85 0.12 115.31 116.41 3kox h LEU 22 Ca -0.25 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.87 3kox h LEU 22 Cb 0.92 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 3kox h LEU 22 CO 0.34 0.10 0.60 -2.24 0.09 0.00 0.00 178.44 177.33 3kox h ASP 23 N 0.00 0.72 0.26 -0.43 2.03 -1.93 -2.54 116.42 114.53 3kox h ASP 23 Ca -0.00 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 3kox h ASP 23 Cb 0.36 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 3kox h ASP 23 CO 0.01 0.34 -0.16 0.29 -1.03 0.00 0.00 179.24 178.69 3kox n LYS 24 N -4.62 0.85 -2.48 4.15 4.76 0.41 -4.93 118.16 116.31 3kox n LYS 24 Ca 0.19 -0.41 -0.41 0.00 -2.87 0.00 0.00 58.31 54.82 3kox n LYS 24 Cb 0.49 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.15 3kox n LYS 24 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3kox s TYR 25 N -2.43 3.56 0.05 2.13 5.04 -0.96 -5.05 117.35 119.69 3kox s TYR 25 Ca 0.28 1.59 0.04 0.00 -2.44 0.00 0.00 57.07 56.54 3kox s TYR 25 Cb 0.20 -3.31 -0.02 0.00 0.35 0.00 0.00 41.96 39.18 3kox s TYR 25 CO 0.48 -0.70 -0.12 0.99 -1.34 0.00 0.00 175.55 174.86 3kox s THR 26 N -0.45 0.88 0.34 4.34 2.01 -1.26 -5.07 115.64 116.43 3kox s THR 26 Ca 0.49 -1.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.12 3kox s THR 26 Cb -0.31 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.25 3kox s THR 26 CO 0.37 -0.20 1.16 -2.84 -0.69 0.00 0.00 174.62 172.42 3kox s PRO 27 N -1.44 4.36 0.13 4.92 0.02 -1.26 -4.93 135.00 136.80 3kox s PRO 27 Ca -0.03 1.87 -0.19 0.00 0.02 0.00 0.00 61.00 62.67 3kox s PRO 27 Cb -0.09 -2.95 -0.04 0.00 0.02 0.00 0.00 34.50 31.44 3kox s PRO 27 CO 0.01 -0.06 1.77 -0.22 -0.33 0.00 0.00 177.00 178.17 3kox h LYS 28 N 3.25 0.25 -5.09 5.54 3.64 -1.95 -3.47 116.57 118.73 3kox h LYS 28 Ca -0.48 -0.01 -0.58 0.00 -1.27 0.00 0.00 60.65 58.30 3kox h LYS 28 Cb 1.22 -0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.85 3kox h LYS 28 CO 0.65 0.16 -0.52 1.03 -2.27 0.00 0.00 179.45 178.50 3kox s ARG 29 N -6.17 1.98 0.02 1.90 0.52 -1.26 -5.15 118.95 110.79 3kox s ARG 29 Ca -0.13 -2.22 -0.08 0.00 -0.52 0.00 0.00 55.73 52.78 3kox s ARG 29 Cb 0.09 -0.84 -0.00 0.00 0.52 0.00 0.00 34.95 34.72 3kox s ARG 29 CO 0.69 -0.44 0.14 1.03 0.02 0.00 0.00 175.30 176.75 3kox s ARG 30 N -3.75 0.58 0.00 3.54 1.81 -1.26 -4.70 118.95 115.17 3kox s ARG 30 Ca 0.20 -0.57 0.00 0.00 -1.72 0.00 0.00 55.73 53.64 3kox s ARG 30 Cb 0.03 0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.76 3kox s ARG 30 CO 0.12 -0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.00 3kox n GLY 31 N 1.01 -0.70 3.80 -3.53 0.00 -1.23 -4.95 105.19 99.60 3kox n GLY 31 Ca -0.20 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 3kox n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kox s TRP 32 N -2.13 3.79 -0.22 1.61 -0.11 -0.27 -4.68 118.94 116.92 3kox s TRP 32 Ca 0.00 1.25 -0.04 0.00 1.22 0.00 0.00 56.10 58.53 3kox s TRP 32 Cb 0.00 -2.50 -0.01 0.00 -1.50 0.00 0.00 33.47 29.46 3kox s TRP 32 CO 0.00 0.56 -0.04 0.95 -4.62 0.00 0.00 176.95 173.80 3kox s THR 33 N -0.98 3.38 0.86 5.86 -4.23 -1.26 -4.99 115.64 114.27 3kox s THR 33 Ca 0.29 -0.49 -0.13 0.00 -1.18 0.00 0.00 61.69 60.18 3kox s THR 33 Cb -0.19 -2.54 0.11 0.00 1.34 0.00 0.00 72.50 71.22 3kox s THR 33 CO 0.18 0.42 1.19 0.26 -0.54 0.00 0.00 174.62 176.14 3kox s TRP 34 N 1.48 2.64 0.17 3.99 0.52 -1.26 -4.89 118.94 121.58 3kox s TRP 34 Ca 0.06 0.70 -0.10 0.00 0.02 0.00 0.00 56.10 56.78 3kox s TRP 34 Cb -0.14 -3.57 -0.07 0.00 -1.15 0.00 0.00 33.47 28.54 3kox s TRP 34 CO -0.03 -2.04 0.50 1.03 0.02 0.00 0.00 176.95 176.43 3kox s ARG 35 N -5.57 3.82 -0.17 4.98 0.52 -1.26 -5.06 118.95 116.21 3kox s ARG 35 Ca 0.64 0.27 -0.13 0.00 -0.52 0.00 0.00 55.73 55.99 3kox s ARG 35 Cb -0.11 -2.82 -0.05 0.00 0.52 0.00 0.00 34.95 32.50 3kox s ARG 35 CO 0.50 0.43 0.27 -0.65 0.02 0.00 0.00 175.30 175.87 3kox s GLN 36 N -2.39 4.23 0.36 3.54 -1.52 -1.26 -5.01 119.66 117.61 3kox s GLN 36 Ca 0.41 0.04 -0.28 0.00 -1.95 0.00 0.00 55.36 53.58 3kox s GLN 36 Cb -0.13 -3.44 -0.11 0.00 -0.22 0.00 0.00 33.01 29.11 3kox s GLN 36 CO 0.20 0.21 1.48 -2.14 -0.25 0.00 0.00 175.29 174.79 3kox s PRO 37 N 0.57 4.14 -0.62 2.91 0.02 -1.26 -1.88 135.00 138.88 3kox s PRO 37 Ca 0.15 2.53 -0.02 0.00 0.02 0.00 0.00 61.00 63.68 3kox s PRO 37 Cb -0.13 -2.99 0.16 0.00 0.02 0.00 0.00 34.50 31.56 3kox s PRO 37 CO 0.03 -0.51 0.43 0.00 -0.33 0.00 0.00 177.00 176.63 3kox s ALA 38 N -0.99 3.57 0.18 -1.55 0.00 -0.58 -4.68 121.76 117.70 3kox s ALA 38 Ca 0.53 -3.30 -0.30 0.00 0.00 0.00 0.00 51.96 48.89 3kox s ALA 38 Cb -0.46 -2.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 3kox s ALA 38 CO 0.60 -2.10 1.14 -2.00 0.00 0.00 0.00 175.76 173.40 3kox s GLU 39 N -0.17 4.54 -1.36 0.00 2.12 -1.26 -3.49 118.70 119.07 3kox s GLU 39 Ca 0.17 1.79 -0.14 0.00 0.36 0.00 0.00 54.97 57.16 3kox s GLU 39 Cb -0.21 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 30.93 3kox s GLU 39 CO -0.03 -0.01 0.40 0.09 -0.54 0.00 0.00 175.26 175.17 3kox n ASN 40 N 2.48 -1.67 -4.72 -1.70 3.02 -1.16 -4.90 115.26 106.61 3kox n ASN 40 Ca 0.04 -1.20 -0.39 0.00 -0.03 0.00 0.00 54.58 52.99 3kox n ASN 40 Cb 0.46 -2.14 -0.05 0.00 -0.61 0.00 0.00 39.78 37.44 3kox n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kox s LEU 41 N -7.22 4.30 -0.12 3.41 2.96 -1.17 -4.85 118.68 116.00 3kox s LEU 41 Ca 0.21 1.09 -0.25 0.00 -0.22 0.00 0.00 54.13 54.96 3kox s LEU 41 Cb -0.11 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.57 3kox s LEU 41 CO 0.95 -0.10 0.81 -1.58 -1.32 0.00 0.00 176.35 175.12 3kox s GLN 42 N 0.81 4.37 -0.11 1.98 0.74 -1.26 -2.10 119.66 124.10 3kox s GLN 42 Ca 0.35 1.03 0.01 0.00 0.05 0.00 0.00 55.36 56.79 3kox s GLN 42 Cb -0.17 -3.52 0.02 0.00 1.10 0.00 0.00 33.01 30.43 3kox s GLN 42 CO 0.16 -0.18 -0.12 -1.64 -0.55 0.00 0.00 175.29 172.96 3kox s MET 43 N 1.62 1.91 5.35 1.67 -1.94 0.23 -4.97 119.30 123.18 3kox s MET 43 Ca 0.40 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 3kox s MET 43 Cb -0.17 -1.74 0.00 0.00 2.01 0.00 0.00 34.83 34.93 3kox s MET 43 CO 0.16 -0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.44 3kox n GLY 44 N 4.45 3.38 0.39 -0.03 0.00 -1.26 -1.54 105.19 110.57 3kox n GLY 44 Ca -0.17 0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3kox n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kox n PRO 45 N 14.00 1.51 -4.80 1.61 -0.02 -1.26 -4.91 135.00 141.13 3kox n PRO 45 Ca 0.00 -0.77 -0.27 0.00 -2.02 0.00 0.00 63.50 60.44 3kox n PRO 45 Cb 0.00 -1.30 -0.15 0.00 -0.02 0.00 0.00 33.50 32.03 3kox n PRO 45 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3kox s PHE 46 N -1.80 2.00 -0.16 6.00 0.08 -0.59 -5.11 117.98 118.40 3kox s PHE 46 Ca 0.26 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.82 3kox s PHE 46 Cb 0.13 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.33 3kox s PHE 46 CO 0.20 0.08 0.18 0.42 -0.10 0.00 0.00 175.22 176.01 3kox s ILE 47 N -0.76 5.39 -0.10 0.64 1.01 -1.26 -0.60 121.20 125.51 3kox s ILE 47 Ca 0.09 0.31 -0.01 0.00 0.00 0.00 0.00 60.65 61.04 3kox s ILE 47 Cb -0.09 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 3kox s ILE 47 CO 0.01 0.48 -0.06 -0.31 0.00 0.00 0.00 174.94 175.07 3kox s TYR 48 N -0.01 2.98 -0.13 3.97 2.02 -0.89 -4.98 117.35 120.30 3kox s TYR 48 Ca 0.12 -0.11 0.18 0.00 -0.37 0.00 0.00 57.07 56.89 3kox s TYR 48 Cb -0.12 -1.81 -0.24 0.00 -0.40 0.00 0.00 41.96 39.39 3kox s TYR 48 CO 0.01 0.19 0.38 1.63 -1.57 0.00 0.00 175.55 176.19 3kox n LYS 49 N 2.73 0.66 -2.28 -0.62 4.76 -1.26 -3.00 118.16 119.16 3kox n LYS 49 Ca -0.18 0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.09 3kox n LYS 49 Cb 0.53 -1.61 0.02 0.00 -1.84 0.00 0.00 35.03 32.12 3kox n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kox n ASP 50 N -2.73 4.28 -4.98 4.39 8.00 -1.26 -4.63 116.55 119.62 3kox n ASP 50 Ca -0.21 -3.48 -0.20 0.00 0.71 0.00 0.00 54.79 51.61 3kox n ASP 50 Cb 0.97 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.66 3kox n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kox s ALA 51 N -3.58 4.09 0.48 2.24 0.00 -1.26 -3.54 121.76 120.19 3kox s ALA 51 Ca 0.46 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 51.12 3kox s ALA 51 Cb 0.40 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3kox s ALA 51 CO -0.03 0.05 0.09 -1.54 0.00 0.00 0.00 175.76 174.33 3kox s SER 52 N -4.10 4.20 0.18 0.00 1.04 -0.33 -1.53 113.70 113.16 3kox s SER 52 Ca 0.41 -1.47 -0.33 0.00 0.48 0.00 0.00 55.95 55.04 3kox s SER 52 Cb -0.09 0.21 -0.13 0.00 0.10 0.00 0.00 66.02 66.10 3kox s SER 52 CO 0.31 -0.78 1.62 0.41 0.98 0.00 0.00 173.24 175.79 3kox n THR 53 N -1.28 0.01 -0.92 2.02 -1.04 -0.79 -4.47 114.28 107.81 3kox n THR 53 Ca -0.12 -0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.60 3kox n THR 53 Cb 0.66 -1.68 0.19 0.00 -1.82 0.00 0.00 70.33 67.68 3kox n THR 53 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kox s PRO 54 N 0.98 0.24 0.38 -2.82 0.02 -1.26 -4.83 135.00 127.71 3kox s PRO 54 Ca 0.77 0.81 -0.05 0.00 0.02 0.00 0.00 61.00 62.56 3kox s PRO 54 Cb -0.62 -1.69 -0.05 0.00 0.02 0.00 0.00 34.50 32.16 3kox s PRO 54 CO 0.36 -2.94 0.66 -0.51 -0.33 0.00 0.00 177.00 174.25 3kox s LEU 55 N -6.67 3.88 0.04 -5.54 1.43 -1.26 -4.97 118.68 105.58 3kox s LEU 55 Ca 0.66 0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 54.49 3kox s LEU 55 Cb -0.21 -3.69 -0.31 0.00 0.03 0.00 0.00 46.19 42.01 3kox s LEU 55 CO 0.60 -0.36 1.00 -0.33 0.23 0.00 0.00 176.35 177.49 3kox h GLU 56 N 1.01 0.36 -4.03 1.70 5.08 -1.14 -3.45 114.58 114.12 3kox h GLU 56 Ca -0.48 -0.62 -0.32 0.00 -1.00 0.00 0.00 59.36 56.94 3kox h GLU 56 Cb 1.20 0.23 -0.30 0.00 0.50 0.00 0.00 28.75 30.38 3kox h GLU 56 CO 0.63 1.28 -0.75 -0.80 -1.00 0.00 0.00 179.01 178.37 3kox s ASN 57 N -7.26 0.49 0.13 1.42 0.01 -1.04 -5.01 114.94 103.67 3kox s ASN 57 Ca -0.07 -0.06 -0.25 0.00 -0.71 0.00 0.00 52.86 51.76 3kox s ASN 57 Cb 0.06 -0.13 0.07 0.00 0.41 0.00 0.00 41.25 41.65 3kox s ASN 57 CO 0.90 -0.00 0.86 -0.94 -1.51 0.00 0.00 177.10 176.40 3kox s SER 58 N 0.31 -0.29 -0.25 -1.22 1.04 -1.26 -4.58 113.70 107.44 3kox s SER 58 Ca -0.03 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.02 3kox s SER 58 Cb -0.06 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 3kox s SER 58 CO -0.01 -0.90 0.20 -0.69 0.98 0.00 0.00 173.24 172.82 3kox s VAL 59 N -3.40 5.32 0.68 5.02 1.01 -0.56 -5.03 120.40 123.44 3kox s VAL 59 Ca 0.09 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 3kox s VAL 59 Cb -0.02 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.88 3kox s VAL 59 CO -0.02 0.29 0.98 0.00 0.00 0.00 0.00 175.10 176.35 3kox s ALA 60 N 1.38 3.27 0.64 5.51 0.00 -1.26 -4.65 121.76 126.65 3kox s ALA 60 Ca 0.08 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 3kox s ALA 60 Cb -0.15 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 3kox s ALA 60 CO 0.07 -1.22 1.20 -0.51 0.00 0.00 0.00 175.76 175.30 3kox s LEU 61 N -5.17 3.53 0.21 0.00 1.43 -1.26 -4.90 118.68 112.51 3kox s LEU 61 Ca 0.60 2.34 -0.09 0.00 -1.03 0.00 0.00 54.13 55.95 3kox s LEU 61 Cb -0.11 -4.59 0.30 0.00 0.03 0.00 0.00 46.19 41.82 3kox s LEU 61 CO 0.44 -1.81 1.73 -0.65 0.23 0.00 0.00 176.35 176.29 3kox h PRO 62 N 0.43 0.37 0.00 1.29 0.11 -1.99 -0.95 132.00 131.26 3kox h PRO 62 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kox h PRO 62 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kox h PRO 62 CO 0.53 0.24 0.00 0.43 -0.21 0.00 0.00 178.00 179.00 3kox n SER 63 N -5.03 0.00 0.27 -2.05 7.64 -1.26 -2.92 113.62 110.28 3kox n SER 63 Ca 0.09 -1.08 0.16 0.00 1.01 0.00 0.00 58.87 59.05 3kox n SER 63 Cb 0.30 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.24 3kox n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kox h ALA 64 N 2.93 1.05 -0.32 -0.43 0.00 -1.48 -3.10 119.26 117.92 3kox h ALA 64 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kox h ALA 64 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kox h ALA 64 CO 0.00 0.08 0.22 1.57 0.00 0.00 0.00 179.25 181.11 3kox h LYS 65 N 0.00 0.23 0.00 0.00 2.10 -1.72 0.23 116.57 117.42 3kox h LYS 65 Ca -0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3kox h LYS 65 Cb 0.44 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3kox h LYS 65 CO 0.01 0.15 0.00 1.88 -2.00 0.00 0.00 179.45 179.49 3kox h TYR 66 N 0.24 0.00 -0.48 0.07 0.05 -1.83 -3.13 116.97 111.89 3kox h TYR 66 Ca 0.14 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.63 3kox h TYR 66 Cb 0.25 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 37.81 3kox h TYR 66 CO -0.00 0.00 -0.10 1.19 -1.05 0.00 0.00 178.16 178.20 3kox n PHE 67 N -2.58 1.56 -3.11 4.88 3.72 0.72 -4.95 117.46 117.70 3kox n PHE 67 Ca 0.03 -1.84 -0.14 0.00 -0.05 0.00 0.00 57.45 55.46 3kox n PHE 67 Cb 0.36 -0.57 0.05 0.00 -0.94 0.00 0.00 39.48 38.38 3kox n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kox n GLY 68 N -1.05 0.07 3.55 1.37 0.00 -1.13 -3.78 105.19 104.21 3kox n GLY 68 Ca 0.38 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 3kox n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kox n ASP 69 N -1.26 -3.05 -4.80 1.61 8.00 -0.65 -4.97 116.55 111.43 3kox n ASP 69 Ca -0.01 -0.49 -0.34 0.00 0.71 0.00 0.00 54.79 54.66 3kox n ASP 69 Cb 0.54 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.12 39.07 3kox n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3kox s ILE 70 N -2.91 3.83 -0.43 0.53 -4.36 -1.25 -4.82 121.20 111.80 3kox s ILE 70 Ca 0.46 1.05 0.07 0.00 -0.26 0.00 0.00 60.65 61.97 3kox s ILE 70 Cb -0.25 -3.44 0.23 0.00 1.25 0.00 0.00 42.46 40.25 3kox s ILE 70 CO 0.57 -0.33 0.51 -0.67 0.24 0.00 0.00 174.94 175.25 3kox n ASP 71 N -1.28 0.47 -4.74 4.36 2.03 -1.26 -4.50 116.55 111.62 3kox n ASP 71 Ca 0.09 -2.72 -0.41 0.00 0.52 0.00 0.00 54.79 52.27 3kox n ASP 71 Cb 0.53 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 40.26 3kox n ASP 71 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3kox s PRO 72 N -1.07 4.50 -0.08 -0.67 0.04 -1.26 -4.65 135.00 131.81 3kox s PRO 72 Ca 0.35 1.89 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 3kox s PRO 72 Cb 0.14 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 3kox s PRO 72 CO -0.12 -0.05 0.01 -0.65 0.04 0.00 0.00 177.00 176.23 3kox s GLN 73 N -0.50 3.00 0.85 4.56 -1.52 -1.26 -4.93 119.66 119.86 3kox s GLN 73 Ca 0.51 -0.41 -0.07 0.00 -1.95 0.00 0.00 55.36 53.44 3kox s GLN 73 Cb -0.33 -2.81 0.18 0.00 -0.22 0.00 0.00 33.01 29.83 3kox s GLN 73 CO 0.38 0.70 1.16 -1.25 -0.25 0.00 0.00 175.29 176.03 3kox s PRO 74 N -0.99 1.05 0.12 2.91 0.04 -1.26 -1.18 135.00 135.69 3kox s PRO 74 Ca 0.14 -0.93 -0.13 0.00 0.04 0.00 0.00 61.00 60.12 3kox s PRO 74 Cb -0.11 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3kox s PRO 74 CO 0.04 -1.99 1.48 -0.07 0.04 0.00 0.00 177.00 176.50 3kox h LEU 75 N -1.09 0.85 -9.97 -3.56 3.38 -1.86 -3.36 115.31 99.71 3kox h LEU 75 Ca -0.39 -0.43 -0.46 0.00 0.09 0.00 0.00 57.88 56.70 3kox h LEU 75 Cb 1.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3kox h LEU 75 CO 0.35 1.10 0.35 -2.84 0.09 0.00 0.00 178.44 177.49 3kox s PRO 76 N -4.53 4.40 0.15 1.13 0.02 -1.26 -4.47 135.00 130.44 3kox s PRO 76 Ca -0.12 1.25 -0.33 0.00 0.02 0.00 0.00 61.00 61.82 3kox s PRO 76 Cb 0.10 -2.51 -0.13 0.00 0.02 0.00 0.00 34.50 31.98 3kox s PRO 76 CO 0.84 0.11 1.64 0.28 -0.33 0.00 0.00 177.00 179.54 3kox n VAL 77 N -0.01 0.07 -3.96 3.83 0.31 -1.04 -4.78 118.33 112.75 3kox n VAL 77 Ca 0.04 -0.01 -0.35 0.00 -0.01 0.00 0.00 64.34 64.01 3kox n VAL 77 Cb 0.52 -1.66 -0.13 0.00 -0.91 0.00 0.00 33.84 31.66 3kox n VAL 77 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3kox s ILE 78 N 1.31 3.99 0.22 2.52 -1.09 -1.26 -0.56 121.20 126.34 3kox s ILE 78 Ca 0.80 -0.29 -0.05 0.00 -2.23 0.00 0.00 60.65 58.88 3kox s ILE 78 Cb -0.64 -2.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 3kox s ILE 78 CO 0.38 0.40 0.47 -0.89 -1.23 0.00 0.00 174.94 174.08 3kox s THR 79 N 1.22 5.08 0.01 2.92 2.01 -0.82 -1.57 115.64 124.50 3kox s THR 79 Ca 0.04 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.08 3kox s THR 79 Cb -0.15 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3kox s THR 79 CO 0.02 -0.16 -0.05 0.28 -0.69 0.00 0.00 174.62 174.01 3kox s THR 80 N -1.88 0.41 -0.37 -0.82 -1.32 -0.67 -3.35 115.64 107.63 3kox s THR 80 Ca 0.43 -0.47 -0.17 0.00 -1.21 0.00 0.00 61.69 60.26 3kox s THR 80 Cb -0.11 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 3kox s THR 80 CO 0.27 -0.06 0.46 -1.61 -2.21 0.00 0.00 174.62 171.47 3kox s GLU 81 N -0.58 3.45 -0.23 7.08 2.02 -1.26 -1.53 118.70 127.66 3kox s GLU 81 Ca -0.02 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.59 3kox s GLU 81 Cb -0.04 -3.86 0.06 0.00 0.10 0.00 0.00 34.13 30.39 3kox s GLU 81 CO -0.00 -0.69 -0.07 0.42 0.02 0.00 0.00 175.26 174.94 3kox s ILE 82 N 2.26 1.65 -0.39 -1.63 1.01 -0.40 -4.96 121.20 118.75 3kox s ILE 82 Ca 0.15 -1.24 0.02 0.00 0.00 0.00 0.00 60.65 59.58 3kox s ILE 82 Cb -0.16 -1.85 0.18 0.00 0.01 0.00 0.00 42.46 40.64 3kox s ILE 82 CO 0.13 -0.04 0.78 0.00 0.00 0.00 0.00 174.94 175.81 3kox s ALA 83 N 1.35 -3.07 -2.48 9.38 0.00 -1.26 -4.34 121.76 121.33 3kox s ALA 83 Ca -0.05 0.54 0.23 0.00 0.00 0.00 0.00 51.96 52.68 3kox s ALA 83 Cb -0.19 -2.83 0.64 0.00 0.00 0.00 0.00 23.12 20.74 3kox s ALA 83 CO -0.06 -2.32 1.51 -1.13 0.00 0.00 0.00 175.76 173.76 3kox n SER 84 N 4.08 2.28 0.00 0.00 3.41 -1.26 -4.09 113.62 118.04 3kox n SER 84 Ca 0.10 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 3kox n SER 84 Cb 0.59 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3kox n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kox n GLY 85 N 1.27 2.52 2.77 5.00 0.00 -1.04 -4.77 105.19 110.94 3kox n GLY 85 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3kox n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kox s ARG 86 N -0.27 1.25 0.62 1.61 0.52 -1.26 -1.56 118.95 119.85 3kox s ARG 86 Ca 0.00 -1.84 0.31 0.00 -0.52 0.00 0.00 55.73 53.68 3kox s ARG 86 Cb 0.00 -2.45 1.70 0.00 0.52 0.00 0.00 34.95 34.72 3kox s ARG 86 CO 0.00 -1.09 2.05 0.27 0.02 0.00 0.00 175.30 176.54 3kox h PHE 87 N 7.11 0.00 0.00 -0.53 -5.15 -1.94 -1.78 116.94 114.65 3kox h PHE 87 Ca -0.05 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.65 3kox h PHE 87 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.11 3kox h PHE 87 CO 0.46 0.00 -0.38 1.05 -2.00 0.00 0.00 178.31 177.43 3kox h GLU 88 N 0.00 0.00 0.17 6.09 9.09 -1.99 -1.53 114.58 126.41 3kox h GLU 88 Ca 0.08 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.26 3kox h GLU 88 Cb 0.61 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.74 3kox h GLU 88 CO -0.00 0.34 -1.01 -0.44 0.05 0.00 0.00 179.01 177.95 3kox h ASP 89 N 0.00 0.59 -0.47 3.06 3.32 -1.66 -3.35 116.42 117.90 3kox h ASP 89 Ca -0.01 -0.94 0.09 0.00 0.02 0.00 0.00 57.03 56.19 3kox h ASP 89 Cb 1.27 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3kox h ASP 89 CO 0.04 1.48 0.32 0.44 -1.72 0.00 0.00 179.24 179.81 3kox h ASP 90 N -0.20 0.24 -0.97 6.45 3.32 -1.22 0.14 116.42 124.18 3kox h ASP 90 Ca -0.17 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.03 3kox h ASP 90 Cb 1.79 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 41.20 3kox h ASP 90 CO 0.19 0.15 0.59 0.40 -1.72 0.00 0.00 179.24 178.85 3kox h ILE 91 N 0.27 0.82 -0.40 0.35 2.04 -1.42 -0.40 117.51 118.77 3kox h ILE 91 Ca 0.22 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 3kox h ILE 91 Cb 0.50 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3kox h ILE 91 CO -0.05 0.16 -0.04 0.03 0.00 0.00 0.00 178.15 178.26 3kox h ARG 92 N 0.86 0.73 -0.16 2.37 3.08 -0.93 -2.49 114.38 117.84 3kox h ARG 92 Ca 0.52 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 3kox h ARG 92 Cb 0.65 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3kox h ARG 92 CO -0.32 0.84 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.27 3kox h ARG 93 N 0.56 0.24 -0.50 0.04 2.43 -1.24 -2.38 114.38 113.53 3kox h ARG 93 Ca 0.11 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3kox h ARG 93 Cb 0.53 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3kox h ARG 93 CO 0.03 0.32 0.23 0.52 -1.51 0.00 0.00 179.97 179.56 3kox h MET 94 N 0.24 0.73 -0.16 0.20 2.86 -0.66 -0.84 114.93 117.29 3kox h MET 94 Ca 0.05 -0.11 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3kox h MET 94 Cb 0.27 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.74 3kox h MET 94 CO 0.01 0.62 -0.46 -0.09 1.06 0.00 0.00 176.91 178.05 3kox h ARG 95 N 0.66 -0.49 -0.46 1.72 2.43 -1.21 0.23 114.38 117.26 3kox h ARG 95 Ca 0.17 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.46 3kox h ARG 95 Cb 0.14 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 3kox h ARG 95 CO -0.02 -0.33 0.02 0.52 -1.51 0.00 0.00 179.97 178.65 3kox h MET 96 N -0.51 0.13 -0.20 0.20 2.86 -1.29 -1.04 114.93 115.08 3kox h MET 96 Ca 0.07 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 3kox h MET 96 Cb 0.64 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3kox h MET 96 CO -0.43 0.08 -0.38 0.00 1.06 0.00 0.00 176.91 177.24 3kox h ALA 97 N 1.40 0.97 0.47 6.32 0.00 -0.82 -2.18 119.26 125.41 3kox h ALA 97 Ca 0.23 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kox h ALA 97 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kox h ALA 97 CO -0.37 0.62 -0.37 0.00 0.00 0.00 0.00 179.25 179.13 3kox h ALA 98 N 1.22 -0.86 -0.23 0.00 0.00 0.24 0.12 119.26 119.74 3kox h ALA 98 Ca 0.04 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3kox h ALA 98 Cb 0.84 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3kox h ALA 98 CO 0.07 -1.01 0.25 -1.49 0.00 0.00 0.00 179.25 177.07 3kox h TRP 99 N -0.83 0.00 -0.33 0.00 4.06 -0.79 0.32 115.95 118.37 3kox h TRP 99 Ca -0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.90 3kox h TRP 99 Cb 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 3kox h TRP 99 CO -0.16 0.00 0.00 0.72 -3.56 0.00 0.00 178.44 175.44 3kox n HIS 100 N -3.82 0.43 0.00 0.49 8.25 -0.86 -1.50 115.22 118.21 3kox n HIS 100 Ca 0.03 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 3kox n HIS 100 Cb 0.39 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 3kox n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kox n GLY 101 N 1.15 0.64 3.66 -1.41 0.00 0.11 -4.52 105.19 104.82 3kox n GLY 101 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3kox n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox s ALA 102 N -2.00 3.61 -0.20 4.61 0.00 -0.03 -4.70 121.76 123.06 3kox s ALA 102 Ca 0.00 1.04 0.15 0.00 0.00 0.00 0.00 51.96 53.14 3kox s ALA 102 Cb 0.00 -3.76 0.44 0.00 0.00 0.00 0.00 23.12 19.80 3kox s ALA 102 CO 0.00 -1.42 1.33 -0.40 0.00 0.00 0.00 175.76 175.27 3kox n ASP 103 N 7.12 2.78 -3.59 0.00 5.75 -0.61 -4.39 116.55 123.62 3kox n ASP 103 Ca 0.18 -3.36 -0.07 0.00 -0.01 0.00 0.00 54.79 51.53 3kox n ASP 103 Cb 0.42 -0.53 -0.08 0.00 -1.03 0.00 0.00 41.12 39.90 3kox n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3kox s HIS 104 N -3.01 -0.89 -0.32 2.11 5.04 -1.14 -1.53 115.29 115.54 3kox s HIS 104 Ca 0.39 1.50 -0.00 0.00 -1.54 0.00 0.00 55.06 55.41 3kox s HIS 104 Cb 0.34 0.32 0.07 0.00 0.04 0.00 0.00 32.58 33.36 3kox s HIS 104 CO 0.03 -0.55 0.03 0.42 -2.34 0.00 0.00 174.74 172.32 3kox s ILE 105 N 2.64 2.77 -0.18 0.89 -1.09 -0.06 -1.68 121.20 124.49 3kox s ILE 105 Ca 0.01 -1.76 -0.14 0.00 -2.23 0.00 0.00 60.65 56.53 3kox s ILE 105 Cb -0.13 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 3kox s ILE 105 CO -0.14 -0.31 0.30 -0.32 -1.23 0.00 0.00 174.94 173.24 3kox s MET 106 N 1.13 4.21 -0.36 2.79 1.75 -0.58 -1.80 119.30 126.45 3kox s MET 106 Ca 0.00 0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.53 3kox s MET 106 Cb -0.20 -3.47 0.10 0.00 2.84 0.00 0.00 34.83 34.09 3kox s MET 106 CO -0.04 0.14 0.09 0.08 -0.65 0.00 0.00 175.02 174.64 3kox s VAL 107 N 0.78 2.69 0.41 10.11 1.01 -0.19 -1.27 120.40 133.94 3kox s VAL 107 Ca 0.16 -2.14 -0.25 0.00 0.00 0.00 0.00 61.98 59.76 3kox s VAL 107 Cb -0.13 -2.88 -0.08 0.00 0.00 0.00 0.00 36.38 33.29 3kox s VAL 107 CO 0.05 -0.57 1.18 -0.63 0.00 0.00 0.00 175.10 175.13 3kox s ILE 108 N 1.02 3.10 0.37 2.22 1.01 -1.26 -4.48 121.20 123.19 3kox s ILE 108 Ca 0.08 0.91 -0.14 0.00 0.00 0.00 0.00 60.65 61.50 3kox s ILE 108 Cb -0.20 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.68 3kox s ILE 108 CO -0.06 0.07 0.79 -0.13 0.00 0.00 0.00 174.94 175.61 3kox s ARG 109 N -2.37 3.95 0.64 2.79 0.52 -1.26 -1.39 118.95 121.83 3kox s ARG 109 Ca 0.58 0.68 -0.17 0.00 -0.52 0.00 0.00 55.73 56.30 3kox s ARG 109 Cb -0.31 -2.37 -0.06 0.00 0.52 0.00 0.00 34.95 32.73 3kox s ARG 109 CO 0.38 0.04 0.59 -2.37 0.02 0.00 0.00 175.30 173.97 3kox n THR 110 N -0.78 2.27 -1.81 0.02 5.66 -0.88 -4.20 114.28 114.57 3kox n THR 110 Ca 0.04 -0.46 -0.42 0.00 -3.05 0.00 0.00 64.05 60.16 3kox n THR 110 Cb 0.54 -0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 68.52 3kox n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kox s ALA 111 N -1.77 3.83 -0.72 1.79 0.00 -0.89 -2.01 121.76 121.98 3kox s ALA 111 Ca 0.68 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.16 3kox s ALA 111 Cb -0.40 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.07 3kox s ALA 111 CO 0.55 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3kox n GLY 112 N 3.31 0.82 0.49 0.00 0.00 -1.26 -4.89 105.19 103.66 3kox n GLY 112 Ca 0.13 -0.22 0.31 0.00 0.00 0.00 0.00 46.02 46.24 3kox n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kox h GLN 113 N 0.18 0.06 -0.66 1.61 4.15 -1.72 0.19 115.11 118.92 3kox h GLN 113 Ca -0.14 -0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.47 3kox h GLN 113 Cb 0.74 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 3kox h GLN 113 CO 0.20 0.04 0.91 0.77 -1.93 0.00 0.00 178.83 178.82 3kox h SER 114 N 0.06 0.00 0.37 -0.69 0.02 -1.86 0.33 113.55 111.78 3kox h SER 114 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 3kox h SER 114 Cb 1.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.50 3kox h SER 114 CO -0.05 0.00 -0.79 1.41 -1.14 0.00 0.00 176.83 176.26 3kox n HIS 115 N -3.26 0.10 -2.01 3.45 8.25 0.68 -1.27 115.22 121.15 3kox n HIS 115 Ca 0.14 0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 3kox n HIS 115 Cb 1.13 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.94 3kox n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kox s TYR 116 N -3.07 1.94 -1.10 4.41 1.51 0.10 -4.89 117.35 116.25 3kox s TYR 116 Ca 0.08 0.38 -0.08 0.00 -1.01 0.00 0.00 57.07 56.44 3kox s TYR 116 Cb 0.16 -3.97 -0.07 0.00 -0.11 0.00 0.00 41.96 37.97 3kox s TYR 116 CO 0.77 -3.46 2.96 -3.47 -1.11 0.00 0.00 175.55 171.24 3kox n ASP 117 N 8.29 7.65 0.00 2.29 2.03 -1.26 -3.97 116.55 131.58 3kox n ASP 117 Ca 0.19 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.76 3kox n ASP 117 Cb 0.44 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 3kox n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kox n GLY 118 N 2.66 1.83 3.81 0.27 0.00 -1.26 -4.94 105.19 107.56 3kox n GLY 118 Ca 0.65 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 3kox n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kox s LEU 119 N 0.00 3.52 0.36 0.99 1.43 -1.26 -4.92 118.68 118.79 3kox s LEU 119 Ca 0.00 1.78 0.08 0.00 -1.03 0.00 0.00 54.13 54.96 3kox s LEU 119 Cb 0.00 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 3kox s LEU 119 CO 0.00 -1.08 0.22 0.27 0.23 0.00 0.00 176.35 175.99 3kox s ILE 120 N -2.48 3.00 0.29 -0.59 -4.36 -1.26 -5.14 121.20 110.65 3kox s ILE 120 Ca 0.63 -1.57 0.07 0.00 -0.26 0.00 0.00 60.65 59.52 3kox s ILE 120 Cb -0.15 -3.03 -0.06 0.00 1.25 0.00 0.00 42.46 40.47 3kox s ILE 120 CO 0.36 -0.13 -0.06 -1.61 0.24 0.00 0.00 174.94 173.74 3kox s GLU 121 N -3.93 1.58 0.27 0.37 0.41 -1.26 -4.38 118.70 111.76 3kox s GLU 121 Ca 0.40 -1.80 0.00 0.00 -0.41 0.00 0.00 54.97 53.16 3kox s GLU 121 Cb -0.03 -1.20 0.00 0.00 -1.78 0.00 0.00 34.13 31.12 3kox s GLU 121 CO 0.24 0.04 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 3kox n GLY 122 N -0.60 -1.79 2.64 -1.39 0.00 -1.23 -4.68 105.19 98.14 3kox n GLY 122 Ca -0.05 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.84 3kox n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kox n THR 123 N 0.00 1.82 -1.35 2.61 -2.24 -1.26 -4.41 114.28 109.44 3kox n THR 123 Ca 0.00 -5.14 -0.31 0.00 -2.27 0.00 0.00 64.05 56.33 3kox n THR 123 Cb 0.00 -0.93 0.09 0.00 -2.10 0.00 0.00 70.33 67.39 3kox n THR 123 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kox s PRO 124 N -3.09 2.19 0.35 -0.78 0.04 -1.23 -3.04 135.00 129.44 3kox s PRO 124 Ca 0.45 0.99 -0.27 0.00 0.04 0.00 0.00 61.00 62.21 3kox s PRO 124 Cb 0.31 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.86 3kox s PRO 124 CO -0.12 -1.64 1.20 -1.14 0.04 0.00 0.00 177.00 175.35 3kox s GLN 125 N -4.97 4.30 0.69 4.56 0.74 -1.26 -4.61 119.66 119.10 3kox s GLN 125 Ca 0.61 1.96 0.00 0.00 0.05 0.00 0.00 55.36 57.99 3kox s GLN 125 Cb -0.16 -2.93 0.11 0.00 1.10 0.00 0.00 33.01 31.12 3kox s GLN 125 CO 0.56 -0.15 0.95 0.20 -0.55 0.00 0.00 175.29 176.30 3kox s GLY 126 N -0.85 1.77 -0.05 2.59 0.00 -0.60 -4.86 107.32 105.31 3kox s GLY 126 Ca 0.51 -1.72 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 3kox s GLY 126 CO 0.44 -1.19 0.00 -1.50 0.00 0.00 0.00 173.10 170.85 3kox s ILE 127 N -3.05 0.27 -0.69 0.90 2.07 -1.26 -4.76 121.20 114.68 3kox s ILE 127 Ca 0.65 0.11 0.00 0.00 -1.41 0.00 0.00 60.65 60.00 3kox s ILE 127 Cb -0.06 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.12 3kox s ILE 127 CO 0.43 0.21 0.00 0.61 -1.91 0.00 0.00 174.94 174.28 3kox n GLY 128 N 4.68 0.87 0.00 1.50 0.00 -1.26 -2.10 105.19 108.88 3kox n GLY 128 Ca -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3kox n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kox n GLY 129 N -1.87 -2.25 3.17 -0.02 0.00 -1.26 -4.64 105.19 98.33 3kox n GLY 129 Ca -0.06 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 3kox n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kox s VAL 130 N -2.30 2.01 -0.14 1.61 1.01 -0.48 -2.49 120.40 119.62 3kox s VAL 130 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 3kox s VAL 130 Cb 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 3kox s VAL 130 CO 0.00 0.54 1.37 -2.84 0.00 0.00 0.00 175.10 174.17 3kox s PRO 131 N 0.69 4.22 -0.42 2.72 0.02 -1.26 -2.06 135.00 138.90 3kox s PRO 131 Ca -0.11 1.80 -0.28 0.00 0.02 0.00 0.00 61.00 62.43 3kox s PRO 131 Cb -0.16 -3.82 0.02 0.00 0.02 0.00 0.00 34.50 30.56 3kox s PRO 131 CO 0.01 -0.75 1.06 0.42 -0.33 0.00 0.00 177.00 177.41 3kox s ILE 132 N 3.65 4.38 0.12 2.83 -1.09 -1.26 -4.88 121.20 124.95 3kox s ILE 132 Ca 0.60 1.29 0.03 0.00 -2.23 0.00 0.00 60.65 60.34 3kox s ILE 132 Cb -0.25 -4.49 -0.04 0.00 -1.58 0.00 0.00 42.46 36.10 3kox s ILE 132 CO 0.19 -0.78 -0.08 0.42 -1.23 0.00 0.00 174.94 173.46 3kox s THR 133 N 4.00 0.92 0.35 2.92 -4.23 -1.26 -4.52 115.64 113.82 3kox s THR 133 Ca 0.44 -1.97 0.15 0.00 -1.18 0.00 0.00 61.69 59.13 3kox s THR 133 Cb -0.10 -1.73 0.34 0.00 1.34 0.00 0.00 72.50 72.35 3kox s THR 133 CO 0.25 -0.80 1.69 -0.09 -0.54 0.00 0.00 174.62 175.13 3kox h ARG 134 N 2.93 0.38 0.25 3.99 2.43 -1.90 0.13 114.38 122.58 3kox h ARG 134 Ca -0.36 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 3kox h ARG 134 Cb 1.18 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3kox h ARG 134 CO 0.63 0.25 -0.12 -0.22 -1.51 0.00 0.00 179.97 179.00 3kox h LYS 135 N 0.39 -0.32 -0.81 0.20 3.64 -1.83 -1.99 116.57 115.85 3kox h LYS 135 Ca 0.70 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 60.19 3kox h LYS 135 Cb 1.60 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 33.42 3kox h LYS 135 CO -0.52 0.04 0.47 0.37 -2.27 0.00 0.00 179.45 177.54 3kox h GLN 136 N -0.83 0.77 -0.28 1.90 -0.00 -1.70 -0.64 115.11 114.33 3kox h GLN 136 Ca -0.03 -0.05 -0.10 0.00 -0.00 0.00 0.00 58.65 58.47 3kox h GLN 136 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.80 3kox h GLN 136 CO 0.06 0.51 -0.25 0.28 0.00 0.00 0.00 178.83 179.42 3kox h VAL 137 N 0.79 1.27 -0.18 2.39 2.07 -0.76 -2.55 116.25 119.28 3kox h VAL 137 Ca 0.39 -1.30 -0.14 0.00 0.82 0.00 0.00 66.70 66.46 3kox h VAL 137 Cb 0.34 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3kox h VAL 137 CO -0.24 0.42 -0.44 0.03 0.02 0.00 0.00 177.57 177.36 3kox h ARG 138 N 0.48 0.62 -0.48 1.57 3.08 -0.62 0.19 114.38 119.23 3kox h ARG 138 Ca 0.07 -0.42 0.09 0.00 0.07 0.00 0.00 59.98 59.79 3kox h ARG 138 Cb 0.70 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.73 3kox h ARG 138 CO 0.05 1.04 -0.01 0.00 -1.07 0.00 0.00 179.97 179.98 3kox h ALA 139 N 0.58 0.44 0.01 0.04 0.00 -1.05 -1.51 119.26 117.77 3kox h ALA 139 Ca -0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kox h ALA 139 Cb 1.05 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kox h ALA 139 CO 0.10 -0.39 -0.00 1.96 0.00 0.00 0.00 179.25 180.91 3kox h GLN 140 N 0.10 -0.01 -0.71 0.00 4.20 -1.42 -1.42 115.11 115.84 3kox h GLN 140 Ca 0.24 0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.13 3kox h GLN 140 Cb 0.36 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 3kox h GLN 140 CO -0.41 0.75 0.50 -0.09 -0.67 0.00 0.00 178.83 178.91 3kox h ARG 141 N -0.97 0.17 -0.02 1.46 9.65 -0.98 0.23 114.38 123.92 3kox h ARG 141 Ca -0.00 -0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 3kox h ARG 141 Cb 0.77 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.32 3kox h ARG 141 CO 0.00 0.11 -0.53 -0.22 2.80 0.00 0.00 179.97 182.14 3kox h LYS 142 N 0.18 0.39 -0.67 0.20 3.64 -1.25 -0.94 116.57 118.12 3kox h LYS 142 Ca 0.35 -0.39 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 3kox h LYS 142 Cb 1.11 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 3kox h LYS 142 CO -0.06 1.06 0.31 0.00 -2.27 0.00 0.00 179.45 178.49 3kox h ALA 143 N 0.34 0.91 -0.01 5.00 0.00 -0.15 -2.50 119.26 122.85 3kox h ALA 143 Ca -0.06 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3kox h ALA 143 Cb 1.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3kox h ALA 143 CO 0.10 -0.10 -0.56 -0.07 0.00 0.00 0.00 179.25 178.62 3kox h LEU 144 N 0.53 0.02 -1.22 0.00 3.38 -0.37 -0.63 115.31 117.03 3kox h LEU 144 Ca 0.33 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3kox h LEU 144 Cb 0.37 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3kox h LEU 144 CO -0.28 0.58 0.50 0.44 0.09 0.00 0.00 178.44 179.78 3kox h ASP 145 N 0.02 0.89 -0.07 -0.43 3.32 -0.76 0.38 116.42 119.78 3kox h ASP 145 Ca -0.01 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 3kox h ASP 145 Cb 1.00 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3kox h ASP 145 CO 0.07 0.66 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.01 3kox h LEU 146 N 1.05 0.27 -1.04 1.55 3.38 -0.89 -3.11 115.31 116.53 3kox h LEU 146 Ca 0.28 -0.59 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 3kox h LEU 146 Cb -0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3kox h LEU 146 CO -0.06 0.81 -0.17 0.40 0.09 0.00 0.00 178.44 179.51 3kox h ILE 147 N -0.26 1.24 -0.02 1.22 2.04 -0.85 -1.95 117.51 118.94 3kox h ILE 147 Ca -0.00 -1.11 -0.22 0.00 1.00 0.00 0.00 64.86 64.53 3kox h ILE 147 Cb 0.78 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3kox h ILE 147 CO 0.04 0.36 -0.91 1.05 0.00 0.00 0.00 178.15 178.69 3kox h GLU 148 N 0.45 0.45 -0.67 2.37 4.11 -0.31 -1.01 114.58 119.96 3kox h GLU 148 Ca 0.08 -0.46 0.05 0.00 0.07 0.00 0.00 59.36 59.10 3kox h GLU 148 Cb 0.56 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 3kox h GLU 148 CO 0.04 1.11 0.38 0.93 0.07 0.00 0.00 179.01 181.54 3kox h GLU 149 N 0.26 0.70 0.26 1.06 5.08 -1.45 0.76 114.58 121.26 3kox h GLU 149 Ca -0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3kox h GLU 149 Cb 1.54 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3kox h GLU 149 CO 0.16 0.46 -0.13 1.49 -1.00 0.00 0.00 179.01 180.00 3kox h GLU 150 N 0.72 -0.34 0.00 2.33 4.81 -0.57 -2.92 114.58 118.60 3kox h GLU 150 Ca 0.29 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3kox h GLU 150 Cb 0.14 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3kox h GLU 150 CO -0.16 -0.12 0.00 -0.39 -0.73 0.00 0.00 179.01 177.61 3kox h VAL 151 N -0.51 0.00 0.00 0.32 -1.51 -1.23 -3.37 116.25 109.96 3kox h VAL 151 Ca -0.04 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 3kox h VAL 151 Cb 0.38 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3kox h VAL 151 CO 0.06 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.01 3kox n GLY 152 N 0.83 1.13 3.35 5.19 0.00 0.20 -0.65 105.19 115.24 3kox n GLY 152 Ca 0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 3kox n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kox s ARG 153 N -2.54 0.58 0.35 1.61 3.52 -0.81 -4.64 118.95 117.03 3kox s ARG 153 Ca 0.00 0.53 -0.28 0.00 -0.13 0.00 0.00 55.73 55.85 3kox s ARG 153 Cb 0.00 0.28 -0.11 0.00 -1.56 0.00 0.00 34.95 33.56 3kox s ARG 153 CO 0.00 -0.09 1.40 -1.25 -0.81 0.00 0.00 175.30 174.55 3kox s PRO 154 N -0.00 4.23 -0.19 5.12 0.04 -1.26 -4.61 135.00 138.33 3kox s PRO 154 Ca -0.02 2.39 -0.04 0.00 0.04 0.00 0.00 61.00 63.37 3kox s PRO 154 Cb -0.03 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 3kox s PRO 154 CO 0.02 -0.36 -0.02 0.42 0.04 0.00 0.00 177.00 177.09 3kox s ILE 155 N -1.09 3.84 -0.23 0.56 1.01 -1.26 -4.91 121.20 119.12 3kox s ILE 155 Ca 0.51 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 3kox s ILE 155 Cb -0.43 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.33 3kox s ILE 155 CO 0.57 0.45 1.07 0.20 0.00 0.00 0.00 174.94 177.23 3kox s ASN 156 N 0.86 7.07 -0.05 3.58 0.01 -0.58 -4.96 114.94 120.87 3kox s ASN 156 Ca 0.00 1.39 -0.12 0.00 -0.71 0.00 0.00 52.86 53.42 3kox s ASN 156 Cb -0.14 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.93 3kox s ASN 156 CO 0.02 -0.70 0.31 -0.47 -1.51 0.00 0.00 177.10 174.75 3kox s TYR 157 N 3.27 3.68 -0.08 2.20 5.04 -1.26 -0.88 117.35 129.32 3kox s TYR 157 Ca 0.45 0.82 -0.07 0.00 -2.44 0.00 0.00 57.07 55.83 3kox s TYR 157 Cb -0.16 -2.16 0.02 0.00 0.35 0.00 0.00 41.96 40.01 3kox s TYR 157 CO 0.08 0.67 0.21 -1.58 -1.34 0.00 0.00 175.55 173.59 3kox s HIS 158 N -1.03 -0.23 0.00 4.97 5.65 -0.74 -1.51 115.29 122.40 3kox s HIS 158 Ca 0.20 0.56 0.00 0.00 0.25 0.00 0.00 55.06 56.08 3kox s HIS 158 Cb -0.15 0.08 0.00 0.00 -1.18 0.00 0.00 32.58 31.33 3kox s HIS 158 CO 0.10 -0.11 0.00 0.45 -0.65 0.00 0.00 174.74 174.52 3kox n SER 159 N 3.01 0.00 -4.43 9.88 2.88 -1.05 -1.02 113.62 122.89 3kox n SER 159 Ca -0.13 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.08 3kox n SER 159 Cb 0.58 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.91 3kox n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kox s TYR 160 N -1.89 2.84 -2.36 0.66 2.02 -1.26 -1.61 117.35 115.76 3kox s TYR 160 Ca 0.00 -0.44 0.23 0.00 -0.37 0.00 0.00 57.07 56.48 3kox s TYR 160 Cb 0.00 -1.82 0.50 0.00 -0.40 0.00 0.00 41.96 40.24 3kox s TYR 160 CO 0.00 -0.07 1.44 0.28 -1.57 0.00 0.00 175.55 175.63 3kox n VAL 161 N 3.21 0.58 -1.76 0.71 0.31 -0.30 -4.92 118.33 116.16 3kox n VAL 161 Ca -0.18 -0.76 -0.38 0.00 -0.01 0.00 0.00 64.34 63.01 3kox n VAL 161 Cb 0.53 0.82 0.05 0.00 -0.91 0.00 0.00 33.84 34.32 3kox n VAL 161 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3kox s SER 162 N -1.38 5.11 0.00 4.52 0.01 -1.25 -4.16 113.70 116.55 3kox s SER 162 Ca 0.40 2.75 0.00 0.00 1.31 0.00 0.00 55.95 60.41 3kox s SER 162 Cb 0.23 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3kox s SER 162 CO 0.31 -1.67 0.00 0.61 0.41 0.00 0.00 173.24 172.90 3kox n GLY 163 N 0.76 0.41 0.14 3.44 0.00 -1.26 -4.46 105.19 104.22 3kox n GLY 163 Ca 0.12 -2.28 0.03 0.00 0.00 0.00 0.00 46.02 43.88 3kox n GLY 163 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kox h VAL 164 N 0.00 0.79 -0.91 1.61 -1.51 -1.44 -3.32 116.25 111.48 3kox h VAL 164 Ca 0.00 -2.14 -0.63 0.00 -1.23 0.00 0.00 66.70 62.71 3kox h VAL 164 Cb 0.00 2.36 -0.34 0.00 -2.13 0.00 0.00 31.29 31.18 3kox h VAL 164 CO 0.00 0.45 0.26 0.00 -1.23 0.00 0.00 177.57 177.05 3kox n ALA 165 N -2.23 5.86 0.04 5.19 0.00 -1.25 -4.85 120.51 123.26 3kox n ALA 165 Ca 0.01 -3.59 -0.09 0.00 0.00 0.00 0.00 53.44 49.77 3kox n ALA 165 Cb 0.73 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 3kox n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kox h GLY 166 N 2.05 -1.22 1.03 0.00 0.00 -1.72 -1.24 103.07 101.96 3kox h GLY 166 Ca 0.52 0.62 0.13 0.00 0.00 0.00 0.00 47.33 48.60 3kox h GLY 166 CO 1.29 -0.36 0.36 -2.55 0.00 0.00 0.00 176.54 175.28 3kox h PRO 167 N -0.40 0.12 -0.07 4.80 0.11 -1.87 0.17 132.00 134.86 3kox h PRO 167 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3kox h PRO 167 Cb 0.42 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3kox h PRO 167 CO -0.19 0.08 -0.00 -0.44 -0.21 0.00 0.00 178.00 177.24 3kox h ASP 168 N 0.12 0.12 -0.46 -2.05 3.45 -1.85 -1.99 116.42 113.76 3kox h ASP 168 Ca 0.25 -0.32 -0.06 0.00 0.43 0.00 0.00 57.03 57.33 3kox h ASP 168 Cb 0.82 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.54 3kox h ASP 168 CO -0.03 0.40 0.04 0.40 -1.57 0.00 0.00 179.24 178.49 3kox h ILE 169 N -0.17 1.25 -0.83 0.35 2.04 0.17 -2.69 117.51 117.63 3kox h ILE 169 Ca 0.02 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.95 3kox h ILE 169 Cb 0.35 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3kox h ILE 169 CO 0.00 0.34 0.52 0.00 0.00 0.00 0.00 178.15 179.02 3kox h ALA 170 N 0.94 1.10 0.11 1.87 0.00 -0.76 0.34 119.26 122.86 3kox h ALA 170 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kox h ALA 170 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kox h ALA 170 CO 0.02 0.33 -0.08 0.28 0.00 0.00 0.00 179.25 179.79 3kox h VAL 171 N 1.00 0.82 -0.77 0.00 2.07 -1.21 0.42 116.25 118.58 3kox h VAL 171 Ca 0.34 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.81 3kox h VAL 171 Cb 0.05 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3kox h VAL 171 CO -0.13 0.00 0.29 -0.03 0.02 0.00 0.00 177.57 177.72 3kox h MET 172 N -0.20 1.15 -0.11 1.57 -1.53 -1.07 0.12 114.93 114.87 3kox h MET 172 Ca -0.00 -0.22 -0.00 0.00 -3.44 0.00 0.00 59.70 56.03 3kox h MET 172 Cb 0.18 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 3kox h MET 172 CO -0.00 0.95 0.05 0.74 0.14 0.00 0.00 176.91 178.79 3kox h PHE 173 N 1.12 0.16 -0.86 1.39 -1.00 0.28 0.11 116.94 118.14 3kox h PHE 173 Ca 0.25 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.03 3kox h PHE 173 Cb 0.24 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 3kox h PHE 173 CO 0.02 0.22 0.57 0.00 -1.61 0.00 0.00 178.31 177.51 3kox h ALA 174 N 0.92 1.09 -0.28 2.45 0.00 0.49 -1.49 119.26 122.44 3kox h ALA 174 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kox h ALA 174 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kox h ALA 174 CO -0.00 0.49 -0.21 0.93 0.00 0.00 0.00 179.25 180.45 3kox h GLU 175 N 1.16 0.52 -0.44 0.00 5.08 -0.47 -3.23 114.58 117.21 3kox h GLU 175 Ca 0.31 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3kox h GLU 175 Cb -0.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3kox h GLU 175 CO -0.07 0.71 0.00 0.39 -1.00 0.00 0.00 179.01 179.04 3kox n GLU 176 N -4.14 2.52 -1.49 2.33 -0.58 -0.00 -4.78 120.64 114.50 3kox n GLU 176 Ca -0.00 -2.33 0.00 0.00 -0.42 0.00 0.00 57.16 54.41 3kox n GLU 176 Cb 0.39 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 3kox n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kox n GLY 177 N 1.47 0.45 3.70 0.62 0.00 -0.62 -4.69 105.19 106.12 3kox n GLY 177 Ca 0.20 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3kox n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kox s VAL 178 N -2.00 3.00 -0.19 1.61 1.01 -0.83 -4.66 120.40 118.35 3kox s VAL 178 Ca 0.00 0.57 0.20 0.00 0.00 0.00 0.00 61.98 62.76 3kox s VAL 178 Cb 0.00 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 3kox s VAL 178 CO 0.00 0.02 0.94 0.59 0.00 0.00 0.00 175.10 176.65 3kox n ASN 179 N 4.94 0.83 -3.90 3.32 4.13 -0.57 -4.67 115.26 119.34 3kox n ASN 179 Ca 0.15 0.34 -0.10 0.00 1.68 0.00 0.00 54.58 56.65 3kox n ASN 179 Cb 0.40 0.37 -0.09 0.00 -1.54 0.00 0.00 39.78 38.92 3kox n ASN 179 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kox s GLY 180 N -4.54 0.12 0.10 7.41 0.00 -0.72 -1.41 107.32 108.28 3kox s GLY 180 Ca -0.02 -0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.07 3kox s GLY 180 CO 0.80 -0.60 0.45 0.00 0.00 0.00 0.00 173.10 173.76 3kox s ALA 181 N -2.57 -1.12 0.20 3.20 0.00 0.07 -2.53 121.76 119.03 3kox s ALA 181 Ca -0.05 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 51.87 3kox s ALA 181 Cb -0.01 0.60 -0.08 0.00 0.00 0.00 0.00 23.12 23.62 3kox s ALA 181 CO -0.04 -0.60 0.81 -1.01 0.00 0.00 0.00 175.76 174.92 3kox s HIS 182 N -3.30 3.85 -0.30 0.00 3.76 -0.63 -2.26 115.29 116.41 3kox s HIS 182 Ca -0.00 1.65 -0.11 0.00 -0.15 0.00 0.00 55.06 56.45 3kox s HIS 182 Cb 0.01 -2.79 0.13 0.00 1.11 0.00 0.00 32.58 31.03 3kox s HIS 182 CO -0.08 0.44 0.69 -1.14 -0.85 0.00 0.00 174.74 173.80 3kox s GLN 183 N -1.40 0.56 -0.21 1.40 -0.44 -1.06 -1.15 119.66 117.36 3kox s GLN 183 Ca 0.39 1.36 -0.06 0.00 -2.50 0.00 0.00 55.36 54.55 3kox s GLN 183 Cb -0.22 0.76 0.10 0.00 -1.64 0.00 0.00 33.01 32.01 3kox s GLN 183 CO 0.26 -0.18 0.41 0.34 0.50 0.00 0.00 175.29 176.62 3kox s ASP 184 N 2.72 -0.17 0.44 6.67 -1.08 -1.26 -4.65 116.67 119.35 3kox s ASP 184 Ca -0.06 0.82 0.21 0.00 -0.52 0.00 0.00 52.55 52.99 3kox s ASP 184 Cb -0.11 1.32 1.04 0.00 -1.46 0.00 0.00 42.92 43.71 3kox s ASP 184 CO -0.19 -0.25 1.92 1.55 0.52 0.00 0.00 175.17 178.72 3kox h PRO 185 N 8.17 0.00 -0.72 4.34 0.13 -1.98 -2.72 132.00 139.22 3kox h PRO 185 Ca -0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 3kox h PRO 185 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 3kox h PRO 185 CO 0.16 0.25 0.31 1.96 -0.23 0.00 0.00 178.00 180.45 3kox h GLN 186 N 0.00 1.06 -0.28 0.86 4.20 -1.96 -2.45 115.11 116.54 3kox h GLN 186 Ca -0.00 -0.18 0.05 0.00 0.06 0.00 0.00 58.65 58.58 3kox h GLN 186 Cb 0.56 -0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.08 3kox h GLN 186 CO 0.03 0.85 -0.47 -0.92 -0.67 0.00 0.00 178.83 177.66 3kox h TYR 187 N 1.02 -1.38 -0.95 2.96 3.20 -1.85 -1.01 116.97 118.95 3kox h TYR 187 Ca 0.24 0.06 0.18 0.00 3.14 0.00 0.00 58.73 62.36 3kox h TYR 187 Cb 0.17 0.64 -0.08 0.00 1.54 0.00 0.00 36.73 39.00 3kox h TYR 187 CO 0.01 -0.48 0.60 -0.91 -1.64 0.00 0.00 178.16 175.75 3kox h ASN 188 N -0.44 0.64 0.05 -2.11 2.35 -1.43 -1.63 115.58 113.01 3kox h ASN 188 Ca 0.09 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3kox h ASN 188 Cb 0.62 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3kox h ASN 188 CO -0.50 0.27 -0.02 0.58 -1.65 0.00 0.00 177.43 176.10 3kox h VAL 189 N 0.65 0.95 -0.03 2.81 2.07 -1.10 -0.43 116.25 121.17 3kox h VAL 189 Ca 0.51 -1.57 -0.16 0.00 0.82 0.00 0.00 66.70 66.30 3kox h VAL 189 Cb 0.93 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 3kox h VAL 189 CO -0.27 0.30 -0.62 -0.07 0.02 0.00 0.00 177.57 176.94 3kox h LEU 190 N -0.96 0.60 0.00 2.57 3.38 -1.02 -1.99 115.31 117.90 3kox h LEU 190 Ca -0.01 -0.72 -0.18 0.00 0.09 0.00 0.00 57.88 57.06 3kox h LEU 190 Cb 0.55 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3kox h LEU 190 CO 0.01 1.24 -1.91 -1.22 0.09 0.00 0.00 178.44 176.65 3kox n TYR 191 N -4.18 0.36 0.32 1.13 4.01 -0.63 -4.45 117.16 113.72 3kox n TYR 191 Ca -0.10 0.12 0.04 0.00 -0.16 0.00 0.00 57.90 57.80 3kox n TYR 191 Cb 0.67 -0.88 0.04 0.00 -0.31 0.00 0.00 39.34 38.87 3kox n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kox n ARG 192 N -2.65 0.39 -2.25 -0.72 5.12 -1.11 -5.00 116.66 110.45 3kox n ARG 192 Ca -0.16 -1.08 -0.15 0.00 -1.93 0.00 0.00 57.85 54.54 3kox n ARG 192 Cb 0.86 -1.17 -0.02 0.00 -1.16 0.00 0.00 32.46 30.97 3kox n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kox n ASN 193 N 0.46 -4.32 -4.75 0.55 5.15 -0.75 -4.85 115.26 106.76 3kox n ASN 193 Ca 0.05 0.18 -0.41 0.00 -0.60 0.00 0.00 54.58 53.80 3kox n ASN 193 Cb 0.23 -3.70 -0.03 0.00 -0.53 0.00 0.00 39.78 35.75 3kox n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kox s ILE 194 N -2.64 3.01 0.23 -1.44 1.01 -0.22 -1.10 121.20 120.06 3kox s ILE 194 Ca 0.00 0.92 -0.31 0.00 0.00 0.00 0.00 60.65 61.25 3kox s ILE 194 Cb 0.00 -3.59 -0.13 0.00 0.01 0.00 0.00 42.46 38.75 3kox s ILE 194 CO 0.00 0.18 1.41 -3.20 0.00 0.00 0.00 174.94 173.33 3kox n ASN 195 N 1.73 2.74 0.03 3.58 2.85 0.38 -4.01 115.26 122.55 3kox n ASN 195 Ca 0.03 1.14 -0.13 0.00 -0.11 0.00 0.00 54.58 55.51 3kox n ASN 195 Cb 0.42 -1.42 -0.09 0.00 1.24 0.00 0.00 39.78 39.93 3kox n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kox h MET 196 N 4.31 -0.07 -0.47 1.20 -0.00 -1.82 0.49 114.93 118.57 3kox h MET 196 Ca -0.45 0.01 0.09 0.00 -0.00 0.00 0.00 59.70 59.35 3kox h MET 196 Cb 1.28 0.02 -0.10 0.00 -0.00 0.00 0.00 31.60 32.80 3kox h MET 196 CO 0.76 0.28 -0.21 0.82 -0.00 0.00 0.00 176.91 178.56 3kox h ILE 197 N -0.44 0.37 -0.38 -0.10 2.04 -1.91 -0.94 117.51 116.14 3kox h ILE 197 Ca -0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 3kox h ILE 197 Cb 0.39 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3kox h ILE 197 CO 0.01 0.00 -0.08 -0.09 0.00 0.00 0.00 178.15 177.99 3kox h ARG 198 N -0.11 0.64 -0.12 2.37 9.65 -1.82 -2.67 114.38 122.32 3kox h ARG 198 Ca 0.22 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 3kox h ARG 198 Cb 0.46 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3kox h ARG 198 CO -0.54 0.72 0.02 1.03 2.80 0.00 0.00 179.97 184.00 3kox h SER 199 N 0.59 0.20 0.52 -3.80 0.87 0.38 -2.10 113.55 110.21 3kox h SER 199 Ca 0.11 -0.26 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 3kox h SER 199 Cb 0.50 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3kox h SER 199 CO 0.03 0.41 -0.53 -0.26 -0.53 0.00 0.00 176.83 175.95 3kox h PHE 200 N -0.03 0.00 -0.19 2.24 -1.00 -1.25 -1.79 116.94 114.92 3kox h PHE 200 Ca 0.04 -0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.66 3kox h PHE 200 Cb 0.30 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 3kox h PHE 200 CO 0.02 0.53 -0.48 0.82 -1.61 0.00 0.00 178.31 177.59 3kox h ILE 201 N 0.00 1.32 -0.82 -0.55 2.04 -1.46 -3.10 117.51 114.93 3kox h ILE 201 Ca -0.01 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 3kox h ILE 201 Cb 0.93 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 3kox h ILE 201 CO 0.07 0.53 0.50 0.44 0.00 0.00 0.00 178.15 179.70 3kox h ASP 202 N 0.36 0.98 -0.76 1.72 5.19 -1.25 -2.91 116.42 119.75 3kox h ASP 202 Ca -0.00 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 3kox h ASP 202 Cb 1.09 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 40.32 3kox h ASP 202 CO 0.10 0.75 0.45 0.00 -3.12 0.00 0.00 179.24 177.43 3kox h ALA 203 N 1.42 1.36 -0.86 3.45 0.00 -1.29 -1.43 119.26 121.90 3kox h ALA 203 Ca 0.30 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.23 3kox h ALA 203 Cb -0.06 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 17.34 3kox h ALA 203 CO -0.06 0.55 0.48 0.00 0.00 0.00 0.00 179.25 180.23 3kox h GLU 205 N 0.76 -0.04 -0.54 0.00 4.57 -1.59 -1.21 114.58 116.54 3kox h GLU 205 Ca 0.44 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.71 3kox h GLU 205 Cb 0.49 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.99 3kox h GLU 205 CO -0.29 0.64 -0.42 0.77 -1.18 0.00 0.00 179.01 178.53 3kox h SER 206 N -0.89 -1.42 -0.60 1.04 0.02 -0.90 0.43 113.55 111.23 3kox h SER 206 Ca -0.00 0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 3kox h SER 206 Cb 0.70 0.65 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 3kox h SER 206 CO 0.01 -0.34 0.06 0.11 -1.14 0.00 0.00 176.83 175.53 3kox h LYS 207 N -0.24 1.02 -0.62 3.45 1.57 0.33 -0.84 116.57 121.24 3kox h LYS 207 Ca 0.18 -0.29 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3kox h LYS 207 Cb 0.57 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 3kox h LYS 207 CO -0.66 0.98 0.30 1.15 -0.57 0.00 0.00 179.45 180.64 3kox h THR 208 N 0.92 0.88 0.00 -0.16 2.02 -0.09 -0.65 112.91 115.83 3kox h THR 208 Ca 0.18 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3kox h THR 208 Cb 0.48 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3kox h THR 208 CO 0.02 0.10 -0.16 0.40 0.37 0.00 0.00 175.52 176.25 3kox h ILE 209 N 0.54 0.42 0.20 3.11 2.04 0.52 -2.51 117.51 121.83 3kox h ILE 209 Ca 0.30 -0.93 -0.32 0.00 1.00 0.00 0.00 64.86 64.90 3kox h ILE 209 Cb 0.28 1.68 0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3kox h ILE 209 CO -0.23 0.16 -1.44 0.24 0.00 0.00 0.00 178.15 176.87 3kox h MET 210 N 0.00 0.43 0.08 2.37 2.86 -0.39 -3.00 114.93 117.28 3kox h MET 210 Ca -0.00 -0.73 0.02 0.00 -2.06 0.00 0.00 59.70 56.92 3kox h MET 210 Cb 0.66 0.27 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 3kox h MET 210 CO 0.02 1.34 -0.20 0.00 1.06 0.00 0.00 176.91 179.14 3kox h ALA 211 N 0.30 -0.32 -0.95 6.32 0.00 -1.00 -1.28 119.26 122.34 3kox h ALA 211 Ca -0.23 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 54.89 3kox h ALA 211 Cb 2.10 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 20.09 3kox h ALA 211 CO 0.24 -0.72 0.50 2.35 0.00 0.00 0.00 179.25 181.62 3kox h TRP 212 N -0.37 0.84 -0.07 0.00 7.01 -1.51 0.24 115.95 122.09 3kox h TRP 212 Ca 0.03 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.07 3kox h TRP 212 Cb 0.40 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 3kox h TRP 212 CO -0.21 0.02 0.00 0.00 -2.79 0.00 0.00 178.44 175.46 3kox n ALA 213 N -2.40 2.58 -3.97 2.65 0.00 -0.54 -4.90 120.51 113.92 3kox n ALA 213 Ca 0.24 -0.30 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 3kox n ALA 213 Cb 0.69 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 3kox n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kox n ASP 214 N -0.30 -1.60 -4.85 0.00 2.03 0.84 -3.50 116.55 109.18 3kox n ASP 214 Ca 0.16 -0.95 -0.35 0.00 0.52 0.00 0.00 54.79 54.16 3kox n ASP 214 Cb 0.19 -3.24 -0.06 0.00 -0.72 0.00 0.00 41.12 37.30 3kox n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3kox s MET 215 N -6.56 3.94 0.37 -0.67 -1.94 -0.95 -1.12 119.30 112.37 3kox s MET 215 Ca 0.24 0.43 -0.24 0.00 -1.71 0.00 0.00 55.69 54.40 3kox s MET 215 Cb -0.13 -2.96 -0.10 0.00 2.01 0.00 0.00 34.83 33.66 3kox s MET 215 CO 0.88 0.51 0.98 0.00 -0.01 0.00 0.00 175.02 177.38 3kox s ALA 216 N -1.43 3.13 -0.15 3.03 0.00 -0.50 -4.80 121.76 121.04 3kox s ALA 216 Ca 0.36 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3kox s ALA 216 Cb -0.15 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 3kox s ALA 216 CO 0.19 0.03 -0.15 -1.14 0.00 0.00 0.00 175.76 174.68 3kox s GLN 217 N -2.44 3.23 -0.12 0.00 0.74 -0.00 -0.75 119.66 120.32 3kox s GLN 217 Ca 0.55 -0.75 -0.06 0.00 0.05 0.00 0.00 55.36 55.15 3kox s GLN 217 Cb -0.18 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 3kox s GLN 217 CO 0.23 0.06 0.10 0.42 -0.55 0.00 0.00 175.29 175.55 3kox s ILE 218 N 0.72 5.20 0.31 -2.34 1.01 -0.96 0.24 121.20 125.37 3kox s ILE 218 Ca -0.07 0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 3kox s ILE 218 Cb -0.16 -3.26 0.07 0.00 0.01 0.00 0.00 42.46 39.12 3kox s ILE 218 CO 0.01 0.59 0.42 -0.90 0.00 0.00 0.00 174.94 175.06 3kox n ASP 219 N 2.22 0.20 -0.23 3.58 5.68 -0.90 -2.58 116.55 124.53 3kox n ASP 219 Ca -0.19 -1.26 0.07 0.00 -0.50 0.00 0.00 54.79 52.91 3kox n ASP 219 Cb 0.54 -0.30 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 3kox n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kox n GLY 223 N 2.13 -0.15 0.40 6.12 0.00 -1.26 -4.59 105.19 107.84 3kox n GLY 223 Ca 0.06 -0.42 0.33 0.00 0.00 0.00 0.00 46.02 45.99 3kox n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox h ALA 224 N 2.40 2.44 0.00 4.61 0.00 -1.92 -0.43 119.26 126.37 3kox h ALA 224 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kox h ALA 224 Cb 0.45 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kox h ALA 224 CO 0.00 -1.10 0.14 1.12 0.00 0.00 0.00 179.25 179.40 3kox h HIS 225 N 0.11 0.00 -0.33 0.00 2.07 -1.85 0.33 115.15 115.49 3kox h HIS 225 Ca 0.81 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 58.23 3kox h HIS 225 Cb 2.31 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 32.27 3kox h HIS 225 CO -0.01 0.00 -0.19 -0.91 -3.07 0.00 0.00 177.93 173.75 3kox h ASN 226 N 0.00 0.60 0.19 3.10 2.35 -1.45 -2.80 115.58 117.58 3kox h ASN 226 Ca 0.00 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 3kox h ASN 226 Cb 0.27 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3kox h ASN 226 CO 0.00 0.80 -0.12 0.00 -1.65 0.00 0.00 177.43 176.47 3kox h ALA 227 N 1.25 1.57 -0.71 -0.83 0.00 -0.52 -0.69 119.26 119.33 3kox h ALA 227 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kox h ALA 227 Cb 0.63 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3kox h ALA 227 CO 0.04 0.14 0.34 -0.91 0.00 0.00 0.00 179.25 178.87 3kox h ASN 228 N 0.00 0.92 0.67 0.00 4.21 -1.58 -2.60 115.58 117.21 3kox h ASN 228 Ca -0.00 -0.13 -0.20 0.00 1.21 0.00 0.00 56.30 57.17 3kox h ASN 228 Cb 0.24 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 3kox h ASN 228 CO 0.02 0.80 -0.91 0.00 -1.29 0.00 0.00 177.43 176.04 3kox h ALA 229 N 1.16 0.48 0.00 -0.83 0.00 -1.15 -3.15 119.26 115.77 3kox h ALA 229 Ca 0.24 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kox h ALA 229 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kox h ALA 229 CO -0.03 0.98 -0.72 0.25 0.00 0.00 0.00 179.25 179.73 3kox n THR 230 N -3.60 0.27 -2.09 0.00 -2.24 -1.02 -4.86 114.28 100.74 3kox n THR 230 Ca -0.03 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.13 3kox n THR 230 Cb 0.84 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3kox n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kox s ALA 231 N -3.16 3.07 -0.05 6.98 0.00 -0.98 -4.96 121.76 122.67 3kox s ALA 231 Ca 0.06 1.13 -0.24 0.00 0.00 0.00 0.00 51.96 52.91 3kox s ALA 231 Cb 0.14 -3.46 -0.23 0.00 0.00 0.00 0.00 23.12 19.57 3kox s ALA 231 CO 0.74 -0.85 1.03 0.00 0.00 0.00 0.00 175.76 176.69 3kox h ARG 232 N 2.24 0.17 -4.47 0.00 2.47 -1.89 -3.42 114.38 109.48 3kox h ARG 232 Ca -0.50 -0.17 -0.63 0.00 -1.26 0.00 0.00 59.98 57.42 3kox h ARG 232 Cb 1.26 0.05 -0.38 0.00 -1.65 0.00 0.00 29.97 29.24 3kox h ARG 232 CO 0.61 0.91 -0.78 -1.21 0.56 0.00 0.00 179.97 180.06 3kox s GLU 233 N -3.15 1.68 0.53 0.04 8.01 -1.26 -5.01 118.70 119.53 3kox s GLU 233 Ca -0.16 -1.23 0.19 0.00 0.01 0.00 0.00 54.97 53.78 3kox s GLU 233 Cb 0.01 -2.72 1.32 0.00 -4.31 0.00 0.00 34.13 28.43 3kox s GLU 233 CO 0.74 -0.67 2.11 0.00 0.01 0.00 0.00 175.26 177.45 3kox h ALA 234 N 7.86 2.11 0.00 5.21 0.00 -1.82 -0.43 119.26 132.19 3kox h ALA 234 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kox h ALA 234 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kox h ALA 234 CO 0.45 -0.17 0.00 -2.67 0.00 0.00 0.00 179.25 176.86 3kox n TRP 235 N -4.47 0.00 0.00 0.00 2.14 -1.26 -2.10 117.44 111.74 3kox n TRP 235 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 3kox n TRP 235 Cb 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 31.31 30.69 3kox n TRP 235 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 3kox n LYS 236 N -0.10 4.69 0.00 -2.67 5.02 -0.17 -4.79 118.16 120.14 3kox n LYS 236 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 3kox n LYS 236 Cb 0.08 -0.50 0.76 0.00 -0.02 0.00 0.00 35.03 35.35 3kox n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3kox n VAL 237 N -0.87 0.01 -0.22 -0.18 3.14 -0.89 -4.16 118.33 115.15 3kox n VAL 237 Ca 0.00 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.33 3kox n VAL 237 Cb 0.00 -0.51 0.04 0.00 -1.06 0.00 0.00 33.84 32.32 3kox n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3kox h MET 238 N 0.00 0.83 -0.41 1.45 2.86 -1.87 -0.91 114.93 116.89 3kox h MET 238 Ca 0.00 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3kox h MET 238 Cb 0.28 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3kox h MET 238 CO 0.00 0.55 0.10 -1.35 1.06 0.00 0.00 176.91 177.27 3kox h PRO 239 N 0.85 0.65 -0.91 -0.22 0.11 -1.90 -1.29 132.00 129.29 3kox h PRO 239 Ca 0.23 -0.16 0.19 0.00 0.11 0.00 0.00 66.00 66.38 3kox h PRO 239 Cb -0.09 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 30.82 3kox h PRO 239 CO -0.05 0.67 0.47 1.49 -0.21 0.00 0.00 178.00 180.36 3kox h GLU 240 N 0.52 0.54 -0.20 1.05 4.81 -1.69 -1.67 114.58 117.93 3kox h GLU 240 Ca 0.13 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3kox h GLU 240 Cb 0.31 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3kox h GLU 240 CO 0.00 0.36 0.08 -0.07 -0.73 0.00 0.00 179.01 178.64 3kox h LEU 241 N 0.55 0.29 -0.48 1.64 3.38 -0.11 -1.15 115.31 119.43 3kox h LEU 241 Ca 0.54 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.40 3kox h LEU 241 Cb 0.92 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3kox h LEU 241 CO -0.44 0.38 0.18 0.24 0.09 0.00 0.00 178.44 178.88 3kox h MET 242 N 0.17 0.34 -0.27 1.13 2.86 -0.72 0.63 114.93 119.07 3kox h MET 242 Ca 0.07 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3kox h MET 242 Cb 0.19 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3kox h MET 242 CO -0.00 0.23 0.16 0.28 1.06 0.00 0.00 176.91 178.63 3kox h VAL 243 N 0.35 1.04 -0.60 -2.22 2.07 -0.86 0.35 116.25 116.38 3kox h VAL 243 Ca 0.23 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 3kox h VAL 243 Cb 0.23 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3kox h VAL 243 CO -0.23 0.06 0.11 1.56 0.02 0.00 0.00 177.57 179.10 3kox h GLN 244 N 0.33 0.95 -0.56 1.57 4.20 -0.39 0.24 115.11 121.45 3kox h GLN 244 Ca 0.10 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3kox h GLN 244 Cb -0.01 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3kox h GLN 244 CO -0.04 0.87 0.36 0.45 -0.67 0.00 0.00 178.83 179.79 3kox h HIS 245 N 0.90 0.72 0.13 2.96 3.86 0.12 -2.94 115.15 120.90 3kox h HIS 245 Ca 0.19 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3kox h HIS 245 Cb 0.37 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3kox h HIS 245 CO 0.02 0.47 -0.06 0.00 0.86 0.00 0.00 177.93 179.22 3kox h ALA 246 N 1.19 -0.18 -0.18 2.45 0.00 0.16 -2.24 119.26 120.46 3kox h ALA 246 Ca 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kox h ALA 246 Cb -0.06 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kox h ALA 246 CO -0.04 -0.52 0.11 -0.07 0.00 0.00 0.00 179.25 178.72 3kox h LEU 247 N -0.33 0.21 -1.21 0.00 3.38 -1.20 -0.32 115.31 115.85 3kox h LEU 247 Ca -0.02 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3kox h LEU 247 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kox h LEU 247 CO 0.03 0.18 -0.36 -1.13 0.09 0.00 0.00 178.44 177.25 3kox h ASN 248 N 0.22 0.00 0.06 -0.43 -1.24 -1.49 -0.94 115.58 111.75 3kox h ASN 248 Ca 0.06 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 3kox h ASN 248 Cb 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.06 3kox h ASN 248 CO -0.01 0.36 -0.03 0.28 -1.29 0.00 0.00 177.43 176.74 3kox h SER 249 N 0.00 -0.07 -0.64 1.15 0.02 -0.84 -1.96 113.55 111.21 3kox h SER 249 Ca -0.00 -0.56 -0.05 0.00 -0.84 0.00 0.00 61.79 60.34 3kox h SER 249 Cb 0.73 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 3kox h SER 249 CO 0.05 0.63 0.22 -0.29 -1.14 0.00 0.00 176.83 176.30 3kox h ILE 250 N -0.88 1.24 -0.05 3.27 6.09 -1.06 -0.01 117.51 126.11 3kox h ILE 250 Ca -0.01 -0.81 0.03 0.00 -1.37 0.00 0.00 64.86 62.70 3kox h ILE 250 Cb 0.63 0.56 -0.04 0.00 0.47 0.00 0.00 36.82 38.44 3kox h ILE 250 CO 0.01 0.31 -0.17 0.15 -3.07 0.00 0.00 178.15 175.38 3kox h PHE 251 N 0.92 -0.45 -0.82 2.19 3.57 -1.25 0.18 116.94 121.27 3kox h PHE 251 Ca 0.21 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.85 3kox h PHE 251 Cb 0.26 0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.13 3kox h PHE 251 CO 0.02 -0.25 0.45 0.77 -2.23 0.00 0.00 178.31 177.06 3kox h SER 252 N -0.26 0.59 -0.02 0.41 0.02 -0.98 -0.84 113.55 112.48 3kox h SER 252 Ca 0.07 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3kox h SER 252 Cb 0.36 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3kox h SER 252 CO -0.20 0.30 -0.01 0.25 -1.14 0.00 0.00 176.83 176.03 3kox h LEU 253 N 0.70 0.03 -1.90 5.07 5.85 -0.05 -2.14 115.31 122.88 3kox h LEU 253 Ca 0.42 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3kox h LEU 253 Cb 0.49 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3kox h LEU 253 CO -0.30 0.41 -0.04 0.11 -0.34 0.00 0.00 178.44 178.28 3kox h LYS 254 N -0.35 0.00 0.00 1.25 1.79 -0.12 0.19 116.57 119.34 3kox h LYS 254 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 3kox h LYS 254 Cb 0.40 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 3kox h LYS 254 CO 0.00 0.04 -0.25 0.28 -1.08 0.00 0.00 179.45 178.45 3kox h VAL 255 N 0.00 0.62 0.00 0.50 2.07 -0.98 -3.48 116.25 114.98 3kox h VAL 255 Ca -0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3kox h VAL 255 Cb 0.37 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3kox h VAL 255 CO 0.01 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.45 3kox n GLY 256 N 0.12 1.07 3.76 2.17 0.00 0.67 -4.83 105.19 108.15 3kox n GLY 256 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3kox n GLY 256 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kox s MET 257 N -0.04 3.69 0.17 1.61 -1.94 -0.82 -4.99 119.30 116.98 3kox s MET 257 Ca 0.00 2.07 -0.25 0.00 -1.71 0.00 0.00 55.69 55.80 3kox s MET 257 Cb 0.00 -2.52 -0.08 0.00 2.01 0.00 0.00 34.83 34.24 3kox s MET 257 CO 0.00 -0.70 0.78 -1.59 -0.01 0.00 0.00 175.02 173.50 3kox s LYS 258 N -2.55 4.56 0.31 2.03 -2.85 -1.26 -4.42 119.74 115.56 3kox s LYS 258 Ca 0.63 1.15 0.08 0.00 -1.00 0.00 0.00 55.97 56.83 3kox s LYS 258 Cb -0.36 -3.24 0.88 0.00 -2.06 0.00 0.00 37.83 33.06 3kox s LYS 258 CO 0.45 0.56 1.67 0.87 0.10 0.00 0.00 175.35 178.99 3kox h LYS 259 N 4.26 0.31 0.00 1.78 1.57 -1.94 0.80 116.57 123.35 3kox h LYS 259 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3kox h LYS 259 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3kox h LYS 259 CO 0.66 0.21 0.00 -1.13 -0.57 0.00 0.00 179.45 178.62 3kox n SER 260 N -5.09 0.00 -0.10 0.86 3.41 -1.26 -1.56 113.62 109.88 3kox n SER 260 Ca 0.26 -1.32 0.03 0.00 -0.26 0.00 0.00 58.87 57.58 3kox n SER 260 Cb 0.81 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.75 3kox n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kox n ASN 261 N -0.69 0.76 -4.50 4.04 3.02 0.28 -4.87 115.26 113.30 3kox n ASN 261 Ca 0.07 -0.88 -0.43 0.00 -0.03 0.00 0.00 54.58 53.31 3kox n ASN 261 Cb 0.03 0.61 -0.05 0.00 -0.61 0.00 0.00 39.78 39.77 3kox n ASN 261 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kox s ILE 262 N -1.15 4.61 -0.18 2.41 1.01 -0.60 -0.82 121.20 126.48 3kox s ILE 262 Ca 0.04 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 3kox s ILE 262 Cb 0.05 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 3kox s ILE 262 CO 0.17 -0.94 0.06 0.00 0.00 0.00 0.00 174.94 174.24 3kox s LEU 264 N 0.37 4.41 -0.51 0.00 1.02 -0.31 -2.11 118.68 121.55 3kox s LEU 264 Ca 0.03 1.84 -0.20 0.00 0.02 0.00 0.00 54.13 55.82 3kox s LEU 264 Cb -0.12 -3.58 0.06 0.00 0.02 0.00 0.00 46.19 42.56 3kox s LEU 264 CO 0.00 -0.27 0.68 -0.55 0.02 0.00 0.00 176.35 176.22 3kox s SER 265 N 0.68 6.24 -0.21 2.29 0.15 -1.26 0.49 113.70 122.08 3kox s SER 265 Ca 0.52 -0.82 0.01 0.00 0.70 0.00 0.00 55.95 56.36 3kox s SER 265 Cb -0.25 -2.31 0.05 0.00 -1.71 0.00 0.00 66.02 61.80 3kox s SER 265 CO 0.30 -0.95 -0.09 0.28 1.20 0.00 0.00 173.24 173.97 3kox s THR 266 N 2.84 1.67 -0.14 6.45 -1.32 -0.32 -3.71 115.64 121.12 3kox s THR 266 Ca 0.18 -1.11 -0.05 0.00 -1.21 0.00 0.00 61.69 59.49 3kox s THR 266 Cb -0.18 -1.79 -0.04 0.00 -1.51 0.00 0.00 72.50 68.98 3kox s THR 266 CO 0.13 0.10 0.06 -0.69 -2.21 0.00 0.00 174.62 172.00 3kox s VAL 267 N 1.37 4.77 0.16 5.08 1.01 -1.26 -1.95 120.40 129.57 3kox s VAL 267 Ca -0.03 -0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 3kox s VAL 267 Cb -0.17 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 3kox s VAL 267 CO -0.07 0.54 1.45 -2.84 0.00 0.00 0.00 175.10 174.18 3kox s PRO 268 N -0.34 4.28 0.47 2.72 0.02 -1.26 -4.90 135.00 135.99 3kox s PRO 268 Ca 0.09 2.20 0.27 0.00 0.02 0.00 0.00 61.00 63.57 3kox s PRO 268 Cb -0.12 -3.19 0.79 0.00 0.02 0.00 0.00 34.50 31.99 3kox s PRO 268 CO 0.02 -0.47 1.77 -1.35 -0.33 0.00 0.00 177.00 176.63 3kox h PRO 269 N 6.44 0.00 -4.93 5.54 0.11 -1.92 -3.44 132.00 133.81 3kox h PRO 269 Ca -0.43 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.33 3kox h PRO 269 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 3kox h PRO 269 CO 0.86 0.07 -0.62 0.95 -0.21 0.00 0.00 178.00 179.04 3kox s THR 270 N -3.42 0.68 0.05 -1.15 -4.23 -1.26 -4.54 115.64 101.77 3kox s THR 270 Ca 0.04 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 3kox s THR 270 Cb 0.07 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.38 3kox s THR 270 CO 0.62 -0.10 0.28 0.00 -0.54 0.00 0.00 174.62 174.88 3kox s ALA 271 N -3.66 -0.58 0.63 3.99 0.00 -1.26 -4.85 121.76 116.02 3kox s ALA 271 Ca 0.35 -0.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.00 3kox s ALA 271 Cb 0.07 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 3kox s ALA 271 CO 0.12 -0.43 1.23 -2.14 0.00 0.00 0.00 175.76 174.54 3kox s PRO 272 N -2.80 2.71 0.00 0.00 0.02 -1.26 -1.96 135.00 131.70 3kox s PRO 272 Ca -0.03 1.88 0.13 0.00 0.02 0.00 0.00 61.00 62.99 3kox s PRO 272 Cb 0.00 -1.89 0.75 0.00 0.02 0.00 0.00 34.50 33.38 3kox s PRO 272 CO -0.05 -1.43 1.24 -0.35 -0.33 0.00 0.00 177.00 176.09 3kox n PRO 273 N -1.89 0.35 -1.89 5.54 -0.04 -1.26 -5.06 135.00 130.75 3kox n PRO 273 Ca 0.14 0.05 -0.34 0.00 -0.04 0.00 0.00 63.50 63.31 3kox n PRO 273 Cb 0.49 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 3kox n PRO 273 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kox s ALA 274 N -2.16 2.52 -1.18 0.55 0.00 -0.83 -4.88 121.76 115.77 3kox s ALA 274 Ca 0.18 0.66 -0.21 0.00 0.00 0.00 0.00 51.96 52.59 3kox s ALA 274 Cb 0.09 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.89 3kox s ALA 274 CO 0.16 -1.16 1.74 -1.25 0.00 0.00 0.00 175.76 175.25 3kox s PRO 275 N -3.83 3.46 -0.02 0.00 0.04 -1.26 -4.77 135.00 128.63 3kox s PRO 275 Ca 0.69 -1.48 -0.24 0.00 0.04 0.00 0.00 61.00 60.01 3kox s PRO 275 Cb -0.22 -5.40 -0.20 0.00 0.04 0.00 0.00 34.50 28.73 3kox s PRO 275 CO 0.37 -2.71 1.20 0.66 0.04 0.00 0.00 177.00 176.57 3kox h SER 276 N 8.84 0.17 -0.70 6.66 4.64 -1.88 -2.38 113.55 128.90 3kox h SER 276 Ca 0.32 -0.58 0.14 0.00 -0.47 0.00 0.00 61.79 61.20 3kox h SER 276 Cb 0.93 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 62.86 3kox h SER 276 CO 1.38 0.73 0.16 0.24 -0.87 0.00 0.00 176.83 178.47 3kox h MET 277 N -0.37 0.26 -0.06 4.77 2.86 -1.91 0.51 114.93 120.99 3kox h MET 277 Ca -0.00 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 3kox h MET 277 Cb 0.70 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 3kox h MET 277 CO 0.02 0.17 -0.49 -0.92 1.06 0.00 0.00 176.91 176.76 3kox h TYR 278 N 0.26 0.20 0.17 -0.22 3.20 -1.92 -0.11 116.97 118.55 3kox h TYR 278 Ca 0.38 -0.06 -0.33 0.00 3.14 0.00 0.00 58.73 61.86 3kox h TYR 278 Cb 0.63 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.87 3kox h TYR 278 CO -0.26 0.62 -1.60 -0.07 -1.64 0.00 0.00 178.16 175.20 3kox h LEU 279 N 0.13 0.57 0.00 2.82 3.38 -0.73 -3.37 115.31 118.10 3kox h LEU 279 Ca 0.01 -0.76 -0.02 0.00 0.09 0.00 0.00 57.88 57.20 3kox h LEU 279 Cb 0.91 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3kox h LEU 279 CO 0.07 1.63 -0.85 0.44 0.09 0.00 0.00 178.44 179.82 3kox h ASP 280 N 0.10 0.00 -0.17 -0.43 3.32 0.08 -3.38 116.42 115.94 3kox h ASP 280 Ca -0.28 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.68 3kox h ASP 280 Cb 2.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.63 3kox h ASP 280 CO 0.19 0.06 -0.22 0.25 -1.72 0.00 0.00 179.24 177.81 3kox h LEU 281 N 0.00 0.48 -1.30 1.55 5.85 -1.18 -0.43 115.31 120.28 3kox h LEU 281 Ca -0.01 -0.51 0.05 0.00 0.84 0.00 0.00 57.88 58.25 3kox h LEU 281 Cb 1.06 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 3kox h LEU 281 CO 0.01 0.89 0.50 -0.65 -0.34 0.00 0.00 178.44 178.85 3kox h PRO 282 N 0.08 0.85 -0.08 5.25 0.11 -1.77 -1.49 132.00 134.96 3kox h PRO 282 Ca 0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3kox h PRO 282 Cb 0.78 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 3kox h PRO 282 CO 0.05 0.56 0.02 -0.92 -0.21 0.00 0.00 178.00 177.50 3kox h TYR 283 N 0.88 0.13 -0.77 0.65 3.20 -1.70 -0.81 116.97 118.54 3kox h TYR 283 Ca 0.31 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.26 3kox h TYR 283 Cb 0.13 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.29 3kox h TYR 283 CO -0.00 0.31 0.41 0.00 -1.64 0.00 0.00 178.16 177.25 3kox h ALA 284 N 0.80 1.09 -0.30 1.82 0.00 -0.57 -1.71 119.26 120.39 3kox h ALA 284 Ca 0.02 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3kox h ALA 284 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kox h ALA 284 CO 0.00 0.01 -0.38 0.28 0.00 0.00 0.00 179.25 179.17 3kox h VAL 285 N 0.69 1.29 -0.57 0.00 2.07 -1.27 -2.52 116.25 115.94 3kox h VAL 285 Ca 0.38 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 3kox h VAL 285 Cb 0.39 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3kox h VAL 285 CO -0.27 0.50 0.19 0.00 0.02 0.00 0.00 177.57 178.02 3kox h ALA 286 N 0.70 1.26 -0.06 1.67 0.00 -0.67 -1.96 119.26 120.20 3kox h ALA 286 Ca 0.04 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 3kox h ALA 286 Cb 0.97 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.54 3kox h ALA 286 CO 0.09 0.53 -0.94 1.25 0.00 0.00 0.00 179.25 180.18 3kox h LEU 287 N 0.83 0.93 -1.02 0.00 5.85 -1.29 -2.19 115.31 118.42 3kox h LEU 287 Ca 0.19 -0.69 -0.07 0.00 0.84 0.00 0.00 57.88 58.15 3kox h LEU 287 Cb 0.22 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3kox h LEU 287 CO -0.01 1.49 -0.32 0.03 -0.34 0.00 0.00 178.44 179.29 3kox h ARG 288 N 0.46 0.00 0.03 1.25 3.08 -1.17 -1.50 114.38 116.53 3kox h ARG 288 Ca -0.10 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.73 3kox h ARG 288 Cb 1.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 3kox h ARG 288 CO 0.19 0.32 -0.98 0.93 -1.07 0.00 0.00 179.97 179.36 3kox h GLU 289 N 0.00 0.28 0.00 0.04 5.08 -1.27 -3.17 114.58 115.54 3kox h GLU 289 Ca -0.00 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 3kox h GLU 289 Cb 0.83 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3kox h GLU 289 CO 0.04 1.06 -0.38 1.98 -1.00 0.00 0.00 179.01 180.72 3kox h MET 290 N 0.14 0.00 -0.47 2.33 4.05 -1.14 -3.32 114.93 116.51 3kox h MET 290 Ca -0.07 0.00 -0.35 0.00 -0.28 0.00 0.00 59.70 59.00 3kox h MET 290 Cb 1.64 0.00 -0.27 0.00 -0.80 0.00 0.00 31.60 32.17 3kox h MET 290 CO 0.16 0.38 -0.70 1.19 0.23 0.00 0.00 176.91 178.16 3kox n PHE 291 N -3.26 1.73 -1.62 1.39 3.72 -0.59 -5.06 117.46 113.76 3kox n PHE 291 Ca 0.02 -1.95 -0.45 0.00 -0.05 0.00 0.00 57.45 55.02 3kox n PHE 291 Cb 0.63 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.85 3kox n PHE 291 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kox n GLU 292 N -0.86 1.59 0.00 -1.08 1.02 -1.20 -2.18 120.64 117.93 3kox n GLU 292 Ca 0.35 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 3kox n GLU 292 Cb 0.87 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3kox n GLU 292 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kox n GLY 293 N 1.38 2.89 3.79 0.62 0.00 -1.26 -5.04 105.19 107.57 3kox n GLY 293 Ca 0.10 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 3kox n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kox s TYR 294 N -0.30 2.87 0.39 1.61 2.02 -0.93 -4.34 117.35 118.67 3kox s TYR 294 Ca 0.00 1.50 -0.06 0.00 -0.37 0.00 0.00 57.07 58.14 3kox s TYR 294 Cb 0.00 -3.01 -0.05 0.00 -0.40 0.00 0.00 41.96 38.50 3kox s TYR 294 CO 0.00 -1.40 0.69 1.03 -1.57 0.00 0.00 175.55 174.30 3kox s ARG 295 N -4.54 3.64 -0.17 -0.62 1.81 -0.83 -4.99 118.95 113.26 3kox s ARG 295 Ca 0.62 0.18 -0.00 0.00 -1.72 0.00 0.00 55.73 54.81 3kox s ARG 295 Cb -0.16 -2.49 0.00 0.00 -0.45 0.00 0.00 34.95 31.85 3kox s ARG 295 CO 0.47 0.01 -0.14 -1.64 -0.68 0.00 0.00 175.30 173.32 3kox s MET 296 N -4.04 3.22 -0.42 3.54 -1.94 -1.26 -1.16 119.30 117.24 3kox s MET 296 Ca 0.47 -0.73 -0.10 0.00 -1.71 0.00 0.00 55.69 53.62 3kox s MET 296 Cb -0.10 -2.70 0.07 0.00 2.01 0.00 0.00 34.83 34.11 3kox s MET 296 CO 0.35 -0.06 0.26 0.50 -0.01 0.00 0.00 175.02 176.06 3kox s ARG 297 N 1.02 2.67 0.16 2.03 3.00 0.18 -1.16 118.95 126.84 3kox s ARG 297 Ca -0.01 -1.40 -0.30 0.00 -1.00 0.00 0.00 55.73 53.01 3kox s ARG 297 Cb -0.15 -3.81 -0.07 0.00 0.00 0.00 0.00 34.95 30.93 3kox s ARG 297 CO -0.03 -0.93 0.96 0.00 0.00 0.00 0.00 175.30 175.30 3kox s ALA 298 N 1.46 3.28 0.13 6.12 0.00 0.11 -1.17 121.76 131.69 3kox s ALA 298 Ca 0.03 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.66 3kox s ALA 298 Cb -0.23 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3kox s ALA 298 CO 0.03 0.06 -0.15 -1.14 0.00 0.00 0.00 175.76 174.56 3kox s GLN 299 N -0.47 1.10 0.80 0.00 2.00 -0.82 0.07 119.66 122.33 3kox s GLN 299 Ca 0.45 -1.29 -0.05 0.00 -2.00 0.00 0.00 55.36 52.46 3kox s GLN 299 Cb -0.25 -1.02 0.15 0.00 0.80 0.00 0.00 33.01 32.70 3kox s GLN 299 CO 0.31 0.20 1.10 -1.64 -0.50 0.00 0.00 175.29 174.75 3kox s MET 300 N -2.73 1.35 0.12 1.67 -1.94 -1.26 -4.11 119.30 112.40 3kox s MET 300 Ca 0.11 -0.91 -0.30 0.00 -1.71 0.00 0.00 55.69 52.88 3kox s MET 300 Cb -0.05 -2.18 -0.07 0.00 2.01 0.00 0.00 34.83 34.54 3kox s MET 300 CO 0.04 -1.75 1.17 1.21 -0.01 0.00 0.00 175.02 175.68 3kox s ASN 301 N -4.79 7.13 0.00 3.03 2.47 -1.26 -4.85 114.94 116.67 3kox s ASN 301 Ca 0.69 2.08 0.00 0.00 0.42 0.00 0.00 52.86 56.05 3kox s ASN 301 Cb -0.05 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 3kox s ASN 301 CO 0.47 -0.38 0.00 0.35 -3.72 0.00 0.00 177.10 173.82 3kox n THR 302 N 3.20 0.00 -0.05 -5.21 -2.24 -1.26 -4.87 114.28 103.85 3kox n THR 302 Ca 0.06 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 3kox n THR 302 Cb 0.46 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 3kox n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kox h LYS 303 N 0.00 0.27 -2.77 -0.78 3.64 -1.94 -3.35 116.57 111.64 3kox h LYS 303 Ca 0.00 -0.10 -0.76 0.00 -1.27 0.00 0.00 60.65 58.52 3kox h LYS 303 Cb 0.16 -0.02 -0.31 0.00 -0.41 0.00 0.00 32.23 31.65 3kox h LYS 303 CO 0.00 0.53 0.47 0.66 -2.27 0.00 0.00 179.45 178.84 3kox n TYR 304 N -4.73 2.61 -3.77 1.91 4.01 -1.26 -4.95 117.16 110.98 3kox n TYR 304 Ca -0.05 -2.96 -0.13 0.00 -0.16 0.00 0.00 57.90 54.60 3kox n TYR 304 Cb 0.23 -1.11 -0.09 0.00 -0.31 0.00 0.00 39.34 38.07 3kox n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3kox s MET 305 N -2.70 0.66 0.00 -0.72 1.75 -1.26 -4.88 119.30 112.15 3kox s MET 305 Ca 0.33 -0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.56 3kox s MET 305 Cb 0.07 0.29 0.00 0.00 2.84 0.00 0.00 34.83 38.03 3kox s MET 305 CO 0.08 -0.18 0.00 0.39 -0.65 0.00 0.00 175.02 174.66 3kox n GLU 306 N 1.27 1.57 -0.12 4.11 -0.58 -1.26 -4.95 120.64 120.68 3kox n GLU 306 Ca -0.22 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.63 3kox n GLU 306 Cb 0.56 0.00 0.31 0.00 -0.57 0.00 0.00 31.44 31.74 3kox n GLU 306 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kox n ALA 307 N -3.00 2.48 -2.57 0.62 0.00 -1.26 -4.13 120.51 112.66 3kox n ALA 307 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 3kox n ALA 307 Cb 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.36 3kox n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kox s SER 308 N -1.48 6.36 0.50 0.00 0.15 -1.26 -4.78 113.70 113.19 3kox s SER 308 Ca 0.33 0.07 0.15 0.00 0.70 0.00 0.00 55.95 57.21 3kox s SER 308 Cb 0.18 -2.28 1.21 0.00 -1.71 0.00 0.00 66.02 63.42 3kox s SER 308 CO 0.27 -0.49 2.13 0.71 1.20 0.00 0.00 173.24 177.06 3kox h THR 309 N 5.61 1.02 -0.20 6.45 1.35 -1.86 -2.26 112.91 123.01 3kox h THR 309 Ca -0.28 -0.07 -0.02 0.00 -0.55 0.00 0.00 66.41 65.50 3kox h THR 309 Cb 1.12 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 3kox h THR 309 CO 0.78 0.02 0.06 -0.09 -0.25 0.00 0.00 175.52 176.04 3kox h ARG 310 N 0.05 0.32 -0.51 4.72 2.43 -1.92 -1.51 114.38 117.95 3kox h ARG 310 Ca 0.01 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3kox h ARG 310 Cb 0.02 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3kox h ARG 310 CO -0.00 0.42 0.31 1.49 -1.51 0.00 0.00 179.97 180.68 3kox h GLU 311 N 0.15 0.60 -0.10 0.20 4.81 -1.82 -2.06 114.58 116.35 3kox h GLU 311 Ca 0.06 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3kox h GLU 311 Cb 0.24 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3kox h GLU 311 CO -0.00 0.40 0.05 0.00 -0.73 0.00 0.00 179.01 178.72 3kox h ALA 312 N 1.22 0.13 -0.88 2.92 0.00 -1.31 -2.36 119.26 118.99 3kox h ALA 312 Ca 0.20 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3kox h ALA 312 Cb 0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3kox h ALA 312 CO -0.09 -0.30 0.54 1.15 0.00 0.00 0.00 179.25 180.55 3kox h THR 313 N 0.04 1.00 -0.33 0.00 2.02 -1.12 -1.28 112.91 113.24 3kox h THR 313 Ca 0.04 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 3kox h THR 313 Cb 0.12 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 3kox h THR 313 CO -0.00 0.17 -0.07 0.58 0.37 0.00 0.00 175.52 176.57 3kox h VAL 314 N 0.95 1.28 -0.18 3.16 2.07 -0.90 -1.38 116.25 121.25 3kox h VAL 314 Ca 0.40 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3kox h VAL 314 Cb 0.24 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3kox h VAL 314 CO -0.20 0.36 0.01 0.74 0.02 0.00 0.00 177.57 178.50 3kox h THR 315 N 0.42 1.11 -0.30 2.57 2.02 -1.13 -2.55 112.91 115.04 3kox h THR 315 Ca 0.09 -0.40 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 3kox h THR 315 Cb 0.56 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3kox h THR 315 CO 0.03 0.14 -0.40 0.45 0.37 0.00 0.00 175.52 176.10 3kox h HIS 316 N 0.25 0.99 -0.93 3.16 3.86 -0.26 -0.49 115.15 121.72 3kox h HIS 316 Ca 0.06 -0.32 0.06 0.00 -1.16 0.00 0.00 60.37 59.00 3kox h HIS 316 Cb 0.15 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.36 3kox h HIS 316 CO 0.00 1.12 0.61 0.28 0.86 0.00 0.00 177.93 180.80 3kox h VAL 317 N 0.57 1.10 -0.41 2.45 2.07 -0.95 0.14 116.25 121.23 3kox h VAL 317 Ca 0.03 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 3kox h VAL 317 Cb 1.00 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3kox h VAL 317 CO 0.10 0.20 -0.02 -0.07 0.02 0.00 0.00 177.57 177.80 3kox h LEU 318 N 1.10 0.63 -0.24 2.57 3.38 -1.05 -0.64 115.31 121.05 3kox h LEU 318 Ca 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3kox h LEU 318 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kox h LEU 318 CO -0.14 0.71 0.10 0.78 0.09 0.00 0.00 178.44 179.98 3kox h ASN 319 N 0.63 0.33 -0.50 -0.43 -0.26 -0.24 -1.68 115.58 113.44 3kox h ASN 319 Ca 0.13 -0.16 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3kox h ASN 319 Cb 0.41 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.56 3kox h ASN 319 CO 0.02 0.40 0.33 -0.07 -1.06 0.00 0.00 177.43 177.05 3kox h LEU 320 N 0.25 0.55 -0.55 1.61 3.38 -0.48 -1.51 115.31 118.57 3kox h LEU 320 Ca 0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3kox h LEU 320 Cb 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kox h LEU 320 CO -0.01 0.40 0.21 0.25 0.09 0.00 0.00 178.44 179.38 3kox h LEU 321 N 0.65 0.76 -1.05 1.67 5.85 -0.55 -0.75 115.31 121.89 3kox h LEU 321 Ca 0.18 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3kox h LEU 321 Cb -0.05 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3kox h LEU 321 CO -0.04 0.74 0.64 0.40 -0.34 0.00 0.00 178.44 179.83 3kox h ILE 322 N 0.75 1.18 -0.39 4.05 1.08 -0.38 -0.78 117.51 123.01 3kox h ILE 322 Ca 0.18 -0.43 -0.09 0.00 -0.39 0.00 0.00 64.86 64.13 3kox h ILE 322 Cb 0.22 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 33.78 3kox h ILE 322 CO -0.01 0.23 -0.11 0.28 -0.69 0.00 0.00 178.15 177.84 3kox h SER 323 N 1.25 0.78 -0.65 1.72 0.02 -0.83 -2.03 113.55 113.81 3kox h SER 323 Ca 0.38 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3kox h SER 323 Cb -0.02 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 3kox h SER 323 CO -0.11 0.97 0.24 0.50 -1.14 0.00 0.00 176.83 177.28 3kox h LYS 324 N 0.58 0.98 0.00 3.45 1.63 -0.90 -2.41 116.57 119.91 3kox h LYS 324 Ca 0.10 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 3kox h LYS 324 Cb 0.64 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3kox h LYS 324 CO 0.04 0.84 -0.06 -0.07 -3.45 0.00 0.00 179.45 176.75 3kox h LEU 325 N 0.92 0.00 0.00 5.20 3.38 -0.98 -3.43 115.31 120.40 3kox h LEU 325 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3kox h LEU 325 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3kox h LEU 325 CO -0.01 0.06 0.00 0.35 0.09 0.00 0.00 178.44 178.93 3kox n THR 326 N -3.19 0.00 -3.64 0.22 -2.24 -0.78 -4.91 114.28 99.73 3kox n THR 326 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3kox n THR 326 Cb 0.33 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.48 3kox n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kox s ARG 327 N 1.12 0.78 -0.15 -0.78 3.52 -0.92 -5.02 118.95 117.49 3kox s ARG 327 Ca 0.00 0.75 -0.04 0.00 -0.13 0.00 0.00 55.73 56.31 3kox s ARG 327 Cb 0.00 0.38 0.07 0.00 -1.56 0.00 0.00 34.95 33.84 3kox s ARG 327 CO 0.00 -0.12 0.17 0.00 -0.81 0.00 0.00 175.30 174.54 3kox s ALA 328 N 0.06 -0.11 -0.00 6.12 0.00 -1.25 -4.87 121.76 121.71 3kox s ALA 328 Ca -0.02 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 3kox s ALA 328 Cb -0.04 -1.07 -0.32 0.00 0.00 0.00 0.00 23.12 21.69 3kox s ALA 328 CO 0.02 -0.94 0.85 -0.44 0.00 0.00 0.00 175.76 175.26 3kox h ASP 329 N 8.35 0.68 -3.59 0.00 3.32 -1.53 -3.41 116.42 120.24 3kox h ASP 329 Ca -0.15 -0.86 -0.67 0.00 0.02 0.00 0.00 57.03 55.37 3kox h ASP 329 Cb 1.14 -0.22 -0.32 0.00 0.22 0.00 0.00 39.33 40.14 3kox h ASP 329 CO 0.23 1.70 -0.88 -0.63 -1.72 0.00 0.00 179.24 177.94 3kox s ILE 330 N -2.60 2.00 -0.35 0.35 1.01 -0.81 -2.49 121.20 118.31 3kox s ILE 330 Ca -0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.52 3kox s ILE 330 Cb 0.05 -1.72 0.09 0.00 0.01 0.00 0.00 42.46 40.89 3kox s ILE 330 CO 0.89 0.55 0.09 -1.58 0.00 0.00 0.00 174.94 174.89 3kox s GLN 331 N 0.17 2.04 0.58 2.79 2.00 0.28 0.06 119.66 127.59 3kox s GLN 331 Ca -0.13 -1.63 -0.09 0.00 -2.00 0.00 0.00 55.36 51.51 3kox s GLN 331 Cb -0.16 -3.34 -0.03 0.00 0.80 0.00 0.00 33.01 30.28 3kox s GLN 331 CO 0.07 -0.87 0.95 -1.12 -0.50 0.00 0.00 175.29 173.81 3kox s SER 332 N 1.41 6.13 0.16 6.67 0.01 0.11 -1.94 113.70 126.25 3kox s SER 332 Ca 0.04 1.19 0.07 0.00 1.31 0.00 0.00 55.95 58.56 3kox s SER 332 Cb -0.21 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 3kox s SER 332 CO -0.04 -0.83 -0.16 0.42 0.41 0.00 0.00 173.24 173.04 3kox s THR 333 N -3.04 1.63 -0.06 1.44 -4.23 -1.21 -4.00 115.64 106.17 3kox s THR 333 Ca 0.53 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 3kox s THR 333 Cb -0.11 -1.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.94 3kox s THR 333 CO 0.50 -0.42 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.31 3kox s ILE 334 N -2.30 1.85 0.25 2.99 -1.09 -1.26 -4.59 121.20 117.04 3kox s ILE 334 Ca 0.15 -0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 57.33 3kox s ILE 334 Cb -0.04 -1.58 -0.09 0.00 -1.58 0.00 0.00 42.46 39.17 3kox s ILE 334 CO 0.05 0.52 1.12 0.42 -1.23 0.00 0.00 174.94 175.83 3kox s THR 335 N 0.02 3.52 -1.33 2.92 -4.23 -1.26 -4.77 115.64 110.51 3kox s THR 335 Ca -0.07 1.45 0.23 0.00 -1.18 0.00 0.00 61.69 62.12 3kox s THR 335 Cb -0.14 -3.93 0.35 0.00 1.34 0.00 0.00 72.50 70.13 3kox s THR 335 CO 0.04 0.31 1.75 -0.81 -0.54 0.00 0.00 174.62 175.37 3kox n PRO 336 N 1.57 0.25 0.00 3.99 -0.04 -1.26 -0.94 135.00 138.57 3kox n PRO 336 Ca 0.00 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.68 3kox n PRO 336 Cb 0.45 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.94 3kox n PRO 336 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3kox n ASP 337 N -1.33 1.32 -0.38 3.54 5.75 -1.26 -4.11 116.55 120.08 3kox n ASP 337 Ca 0.10 -1.36 0.31 0.00 -0.01 0.00 0.00 54.79 53.82 3kox n ASP 337 Cb 0.20 0.02 0.61 0.00 -1.03 0.00 0.00 41.12 40.92 3kox n ASP 337 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3kox h GLU 338 N 2.01 0.20 -0.00 0.11 4.22 -1.23 0.13 114.58 120.02 3kox h GLU 338 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3kox h GLU 338 Cb 0.47 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3kox h GLU 338 CO 0.00 0.13 -0.12 0.41 -2.18 0.00 0.00 179.01 177.25 3kox n GLY 339 N -1.56 -1.18 0.47 1.92 0.00 -1.26 -4.21 105.19 99.37 3kox n GLY 339 Ca 0.30 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 3kox n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kox n ARG 340 N -1.22 0.19 -4.05 1.61 0.63 0.34 -4.45 116.66 109.70 3kox n ARG 340 Ca 0.11 0.07 -0.14 0.00 -0.92 0.00 0.00 57.85 56.96 3kox n ARG 340 Cb 0.30 -0.94 -0.03 0.00 0.45 0.00 0.00 32.46 32.24 3kox n ARG 340 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kox s ASN 341 N -5.37 0.89 0.18 6.15 4.22 -0.59 -4.98 114.94 115.45 3kox s ASN 341 Ca -0.11 -1.49 -0.30 0.00 -2.14 0.00 0.00 52.86 48.82 3kox s ASN 341 Cb 0.04 0.71 -0.08 0.00 1.28 0.00 0.00 41.25 43.20 3kox s ASN 341 CO 0.16 -1.40 1.20 -0.69 -2.04 0.00 0.00 177.10 174.33 3kox s VAL 342 N -2.78 3.58 0.39 3.54 1.01 -1.26 -4.30 120.40 120.58 3kox s VAL 342 Ca 0.28 1.32 -0.27 0.00 0.00 0.00 0.00 61.98 63.31 3kox s VAL 342 Cb -0.01 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 3kox s VAL 342 CO 0.20 0.20 1.37 -2.65 0.00 0.00 0.00 175.10 174.22 3kox n PRO 343 N 2.59 2.26 -3.97 2.72 -0.02 -1.26 -5.00 135.00 132.32 3kox n PRO 343 Ca 0.05 0.80 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 3kox n PRO 343 Cb 0.45 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 3kox n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kox s TRP 344 N -1.15 3.41 0.15 6.00 0.51 -1.26 -4.83 118.94 121.76 3kox s TRP 344 Ca 0.57 0.21 -0.14 0.00 -2.12 0.00 0.00 56.10 54.62 3kox s TRP 344 Cb -0.50 -1.73 0.11 0.00 -0.81 0.00 0.00 33.47 30.54 3kox s TRP 344 CO 0.61 0.58 1.06 0.72 -0.51 0.00 0.00 176.95 179.41 3kox n HIS 345 N 0.50 -0.06 0.20 -1.98 8.25 -0.26 -0.34 115.22 121.53 3kox n HIS 345 Ca -0.07 0.85 0.05 0.00 -0.26 0.00 0.00 57.72 58.29 3kox n HIS 345 Cb 0.52 -0.70 0.43 0.00 1.12 0.00 0.00 29.99 31.35 3kox n HIS 345 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3kox h ILE 346 N 0.00 1.03 0.00 1.59 3.07 -1.95 -1.15 117.51 120.10 3kox h ILE 346 Ca 0.21 -1.16 0.00 0.00 1.55 0.00 0.00 64.86 65.45 3kox h ILE 346 Cb 0.38 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 3kox h ILE 346 CO -0.67 0.31 -0.17 1.88 -1.05 0.00 0.00 178.15 178.45 3kox h TYR 347 N 0.00 0.00 -0.22 0.16 0.05 -1.08 -0.35 116.97 115.53 3kox h TYR 347 Ca -0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 3kox h TYR 347 Cb 0.64 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.37 3kox h TYR 347 CO 0.00 0.00 -0.18 -0.91 -1.05 0.00 0.00 178.16 176.02 3kox h ASN 348 N 0.00 0.55 -0.27 3.88 4.21 -0.79 -2.10 115.58 121.05 3kox h ASN 348 Ca 0.00 -0.45 -0.02 0.00 1.21 0.00 0.00 56.30 57.03 3kox h ASN 348 Cb 0.87 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.91 3kox h ASN 348 CO 0.00 0.89 0.07 0.40 -1.29 0.00 0.00 177.43 177.50 3kox h ILE 349 N 0.22 1.21 -0.51 2.81 5.03 -1.14 -2.01 117.51 123.11 3kox h ILE 349 Ca 0.04 -0.68 0.10 0.00 -0.12 0.00 0.00 64.86 64.21 3kox h ILE 349 Cb 0.72 1.14 -0.10 0.00 -3.03 0.00 0.00 36.82 35.54 3kox h ILE 349 CO 0.05 0.22 -0.24 -0.33 -0.68 0.00 0.00 178.15 177.17 3kox h GLU 350 N 0.27 -0.11 -0.60 2.37 5.08 -1.13 0.64 114.58 121.10 3kox h GLU 350 Ca 0.09 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 3kox h GLU 350 Cb 0.27 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 3kox h GLU 350 CO -0.00 -0.08 0.25 0.00 -1.00 0.00 0.00 179.01 178.18 3kox h ALA 351 N 1.20 0.78 -0.20 3.43 0.00 -1.14 0.18 119.26 123.51 3kox h ALA 351 Ca 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3kox h ALA 351 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kox h ALA 351 CO -0.58 -0.15 0.08 0.00 0.00 0.00 0.00 179.25 178.59 3kox h ASP 353 N 0.17 0.31 0.06 0.00 5.19 -0.57 -1.86 116.42 119.71 3kox h ASP 353 Ca 0.07 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3kox h ASP 353 Cb 0.17 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3kox h ASP 353 CO -0.01 0.23 -0.03 0.74 -3.12 0.00 0.00 179.24 177.05 3kox h THR 354 N 0.39 1.04 -0.84 0.35 2.02 -0.34 0.56 112.91 116.09 3kox h THR 354 Ca 0.13 -0.30 0.15 0.00 0.77 0.00 0.00 66.41 67.17 3kox h THR 354 Cb 0.01 1.23 -0.10 0.00 -1.74 0.00 0.00 68.15 67.56 3kox h THR 354 CO -0.07 0.08 0.42 0.00 0.37 0.00 0.00 175.52 176.31 3kox h ALA 355 N 0.73 1.26 -0.16 6.16 0.00 -1.03 -1.35 119.26 124.87 3kox h ALA 355 Ca -0.01 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3kox h ALA 355 Cb 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kox h ALA 355 CO 0.01 -0.12 -0.25 -0.22 0.00 0.00 0.00 179.25 178.67 3kox h LYS 356 N 0.59 0.45 -0.01 0.00 3.64 -0.70 -2.78 116.57 117.76 3kox h LYS 356 Ca 0.46 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3kox h LYS 356 Cb 0.67 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3kox h LYS 356 CO -0.38 0.87 -0.01 0.37 -2.27 0.00 0.00 179.45 178.04 3kox h GLN 357 N 0.08 -0.01 -0.51 1.90 4.15 -0.55 -0.43 115.11 119.74 3kox h GLN 357 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3kox h GLN 357 Cb 0.83 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 3kox h GLN 357 CO 0.06 -0.01 0.24 0.00 -1.93 0.00 0.00 178.83 177.19 3kox h ALA 358 N 0.99 0.65 -0.22 3.38 0.00 -1.34 0.58 119.26 123.30 3kox h ALA 358 Ca 0.01 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3kox h ALA 358 Cb 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kox h ALA 358 CO -0.01 0.22 -0.34 -0.07 0.00 0.00 0.00 179.25 179.05 3kox h LEU 359 N 0.67 0.69 -0.63 0.00 3.38 -1.28 -1.81 115.31 116.34 3kox h LEU 359 Ca 0.17 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3kox h LEU 359 Cb 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3kox h LEU 359 CO -0.02 1.07 0.31 0.40 0.09 0.00 0.00 178.44 180.29 3kox h ILE 360 N 0.32 1.22 -1.00 1.22 1.08 -1.10 -1.32 117.51 117.94 3kox h ILE 360 Ca 0.02 -0.60 0.30 0.00 -0.39 0.00 0.00 64.86 64.19 3kox h ILE 360 Cb 0.92 0.46 -0.14 0.00 -3.07 0.00 0.00 36.82 34.99 3kox h ILE 360 CO 0.08 0.25 0.57 1.23 -0.69 0.00 0.00 178.15 179.58 3kox h GLY 361 N 0.86 2.01 -3.32 5.37 0.00 -0.55 0.35 103.07 107.79 3kox h GLY 361 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3kox h GLY 361 CO -0.03 -0.43 0.00 1.03 0.00 0.00 0.00 176.54 177.12 3kox n MET 362 N -5.01 4.48 -1.66 4.80 2.81 -0.52 -4.95 117.12 117.06 3kox n MET 362 Ca 0.30 -2.91 -0.49 0.00 -1.81 0.00 0.00 57.70 52.79 3kox n MET 362 Cb 0.92 -2.16 -0.05 0.00 -0.71 0.00 0.00 33.22 31.21 3kox n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kox n ASP 363 N 0.67 3.27 -0.03 7.83 2.03 0.11 -0.34 116.55 130.09 3kox n ASP 363 Ca 0.26 0.91 -0.00 0.00 0.52 0.00 0.00 54.79 56.47 3kox n ASP 363 Cb 1.09 -1.35 -0.00 0.00 -0.72 0.00 0.00 41.12 40.14 3kox n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kox n GLY 364 N 4.61 0.47 0.24 0.27 0.00 -1.26 -4.88 105.19 104.65 3kox n GLY 364 Ca 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3kox n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kox h LEU 365 N 0.00 0.36 0.00 0.99 5.85 -1.06 -1.13 115.31 120.32 3kox h LEU 365 Ca -0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kox h LEU 365 Cb 0.09 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3kox h LEU 365 CO 0.01 0.23 0.00 0.23 -0.34 0.00 0.00 178.44 178.57 3kox n MET 366 N -4.91 0.75 0.12 1.25 0.00 -1.26 -0.48 117.12 112.60 3kox n MET 366 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.91 3kox n MET 366 Cb 0.23 -1.45 0.41 0.00 0.00 0.00 0.00 33.22 32.41 3kox n MET 366 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3kox h ASP 367 N 0.00 0.00 0.00 7.83 3.32 -1.61 -3.37 116.42 122.59 3kox h ASP 367 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kox h ASP 367 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kox h ASP 367 CO 0.00 0.00 -0.98 0.23 -1.72 0.00 0.00 179.24 176.77 3kox n MET 368 N -2.34 0.75 -4.18 3.56 2.81 0.37 -5.04 117.12 113.06 3kox n MET 368 Ca 0.05 -0.02 -0.18 0.00 -1.81 0.00 0.00 57.70 55.74 3kox n MET 368 Cb 0.40 -1.00 -0.12 0.00 -0.71 0.00 0.00 33.22 31.80 3kox n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kox s VAL 369 N -2.04 1.11 0.18 2.03 1.01 -0.63 -5.14 120.40 116.91 3kox s VAL 369 Ca -0.01 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.45 3kox s VAL 369 Cb 0.01 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.24 3kox s VAL 369 CO 0.08 -0.29 0.39 0.00 0.00 0.00 0.00 175.10 175.28 3kox s GLN 370 N -1.98 1.26 0.16 2.72 -2.07 -1.26 -4.46 119.66 114.02 3kox s GLN 370 Ca 0.00 -1.05 -0.30 0.00 -1.82 0.00 0.00 55.36 52.19 3kox s GLN 370 Cb -0.08 0.44 -0.07 0.00 -1.09 0.00 0.00 33.01 32.20 3kox s GLN 370 CO 0.02 -0.49 1.05 -0.51 -1.32 0.00 0.00 175.29 174.04 3kox s LEU 371 N -2.93 4.50 -1.28 2.60 1.43 -1.26 -4.93 118.68 116.81 3kox s LEU 371 Ca 0.14 1.99 -0.18 0.00 -1.03 0.00 0.00 54.13 55.05 3kox s LEU 371 Cb 0.01 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.72 3kox s LEU 371 CO -0.01 -0.16 1.69 -0.75 0.23 0.00 0.00 176.35 177.35 3kox s LYS 372 N -0.25 3.98 0.51 1.70 2.20 -1.26 -4.81 119.74 121.82 3kox s LYS 372 Ca 0.48 -2.03 0.30 0.00 -0.36 0.00 0.00 55.97 54.36 3kox s LYS 372 Cb -0.27 -5.47 1.30 0.00 -1.51 0.00 0.00 37.83 31.87 3kox s LYS 372 CO 0.33 -2.20 1.97 -0.09 -0.36 0.00 0.00 175.35 175.00 3kox h ARG 373 N 7.63 0.00 -4.95 4.03 9.65 -1.99 -3.40 114.38 125.35 3kox h ARG 373 Ca 0.42 0.00 -0.67 0.00 -1.10 0.00 0.00 59.98 58.64 3kox h ARG 373 Cb 0.88 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 29.17 3kox h ARG 373 CO 1.43 0.11 -0.72 -1.21 2.80 0.00 0.00 179.97 182.37 3kox s GLU 374 N -3.80 3.16 0.00 0.20 0.41 -1.26 -2.82 118.70 114.60 3kox s GLU 374 Ca -0.00 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 3kox s GLU 374 Cb 0.10 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 3kox s GLU 374 CO 0.58 -0.29 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 3kox n GLY 375 N 4.76 0.50 0.34 -1.39 0.00 -1.26 -4.87 105.19 103.28 3kox n GLY 375 Ca -0.17 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.36 3kox n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kox h VAL 376 N 0.00 0.92 0.57 1.61 3.04 -1.93 -2.52 116.25 117.94 3kox h VAL 376 Ca 0.00 -0.14 -0.03 0.00 -1.01 0.00 0.00 66.70 65.52 3kox h VAL 376 Cb 0.00 0.49 0.01 0.00 -2.01 0.00 0.00 31.29 29.77 3kox h VAL 376 CO 0.00 0.07 -0.27 0.25 -1.01 0.00 0.00 177.57 176.61 3kox h LEU 377 N 0.40 -0.65 -0.93 3.16 5.85 -1.86 -2.13 115.31 119.15 3kox h LEU 377 Ca 0.25 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.10 3kox h LEU 377 Cb 0.45 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 3kox h LEU 377 CO -0.07 -0.39 0.54 1.23 -0.34 0.00 0.00 178.44 179.42 3kox h GLY 378 N -0.87 1.57 1.49 3.75 0.00 -1.29 0.10 103.07 107.82 3kox h GLY 378 Ca -0.08 -0.33 -0.25 0.00 0.00 0.00 0.00 47.33 46.68 3kox h GLY 378 CO 0.13 0.00 -1.03 -0.55 0.00 0.00 0.00 176.54 175.09 3kox h ASP 379 N 0.76 0.59 -0.14 0.19 3.32 -1.44 -2.10 116.42 117.61 3kox h ASP 379 Ca 0.51 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3kox h ASP 379 Cb 0.69 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3kox h ASP 379 CO -0.34 1.32 0.01 0.74 -1.72 0.00 0.00 179.24 179.24 3kox h THR 380 N 0.23 1.24 -0.24 0.35 2.02 -0.74 -1.92 112.91 113.85 3kox h THR 380 Ca -0.10 -0.79 0.06 0.00 0.77 0.00 0.00 66.41 66.34 3kox h THR 380 Cb 1.68 1.51 -0.06 0.00 -1.74 0.00 0.00 68.15 69.54 3kox h THR 380 CO 0.18 0.23 -0.17 0.58 0.37 0.00 0.00 175.52 176.71 3kox h VAL 381 N -0.02 0.51 -0.74 3.16 2.07 -0.74 -0.92 116.25 119.58 3kox h VAL 381 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.69 3kox h VAL 381 Cb 0.35 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 3kox h VAL 381 CO 0.01 0.00 0.31 -0.09 0.02 0.00 0.00 177.57 177.81 3kox h ARG 382 N -0.17 0.46 -0.45 1.57 9.65 -1.36 -1.14 114.38 122.95 3kox h ARG 382 Ca 0.14 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 3kox h ARG 382 Cb 0.37 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 3kox h ARG 382 CO -0.34 0.30 0.19 1.49 2.80 0.00 0.00 179.97 184.41 3kox h GLU 383 N 0.47 0.67 -0.49 0.20 4.81 -0.38 -1.30 114.58 118.56 3kox h GLU 383 Ca 0.40 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3kox h GLU 383 Cb 0.57 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3kox h GLU 383 CO -0.37 0.60 0.16 -0.07 -0.73 0.00 0.00 179.01 178.60 3kox h LEU 384 N 0.59 0.71 -0.66 1.64 3.38 -0.43 -0.21 115.31 120.33 3kox h LEU 384 Ca 0.15 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kox h LEU 384 Cb 0.17 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3kox h LEU 384 CO -0.01 0.72 0.39 0.11 0.09 0.00 0.00 178.44 179.74 3kox h LYS 385 N 0.66 0.73 -0.50 1.13 1.57 -0.99 -1.83 116.57 117.33 3kox h LYS 385 Ca 0.16 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3kox h LYS 385 Cb 0.26 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3kox h LYS 385 CO -0.01 0.48 0.17 0.93 -0.57 0.00 0.00 179.45 180.45 3kox h GLU 386 N 0.75 0.77 -0.91 3.15 5.08 -0.52 -0.89 114.58 122.00 3kox h GLU 386 Ca 0.28 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3kox h GLU 386 Cb 0.09 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3kox h GLU 386 CO -0.14 0.71 0.53 0.00 -1.00 0.00 0.00 179.01 179.11 3kox h ARG 387 N 0.67 1.26 -0.24 2.33 3.08 -0.77 -1.36 114.38 119.35 3kox h ARG 387 Ca 0.16 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3kox h ARG 387 Cb 0.25 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3kox h ARG 387 CO -0.01 0.89 0.12 0.00 -1.07 0.00 0.00 179.97 179.91 3kox h ALA 388 N 1.29 0.31 -0.75 0.04 0.00 -0.91 -1.87 119.26 117.36 3kox h ALA 388 Ca 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3kox h ALA 388 Cb -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3kox h ALA 388 CO -0.06 -0.14 0.50 0.28 0.00 0.00 0.00 179.25 179.83 3kox h VAL 389 N 0.26 1.19 -0.75 0.00 2.07 -0.88 -2.19 116.25 115.95 3kox h VAL 389 Ca 0.08 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.33 3kox h VAL 389 Cb 0.10 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 29.89 3kox h VAL 389 CO -0.01 0.19 0.41 -0.07 0.02 0.00 0.00 177.57 178.11 3kox h LEU 390 N 1.02 0.59 -0.00 2.57 3.38 -1.16 0.23 115.31 121.94 3kox h LEU 390 Ca 0.28 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.31 3kox h LEU 390 Cb -0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3kox h LEU 390 CO -0.06 0.36 -0.12 0.15 0.09 0.00 0.00 178.44 178.86 3kox h PHE 391 N 0.72 -0.30 0.07 1.13 -0.00 -0.75 -0.61 116.94 117.21 3kox h PHE 391 Ca 0.35 0.01 0.02 0.00 -0.00 0.00 0.00 57.97 58.36 3kox h PHE 391 Cb 0.29 0.13 -0.04 0.00 -0.00 0.00 0.00 35.95 36.34 3kox h PHE 391 CO -0.08 -0.18 -0.26 0.52 -0.00 0.00 0.00 178.31 178.31 3kox h MET 392 N -0.20 -0.43 -0.93 1.11 2.86 -1.20 -0.26 114.93 115.88 3kox h MET 392 Ca 0.04 0.03 0.21 0.00 -2.06 0.00 0.00 59.70 57.92 3kox h MET 392 Cb 0.25 0.10 -0.12 0.00 0.06 0.00 0.00 31.60 31.89 3kox h MET 392 CO -0.12 -0.29 0.48 0.93 1.06 0.00 0.00 176.91 178.97 3kox h GLU 393 N -0.45 0.51 0.00 1.72 5.08 -0.41 0.19 114.58 121.22 3kox h GLU 393 Ca 0.04 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3kox h GLU 393 Cb 0.49 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3kox h GLU 393 CO -0.18 0.34 -0.60 1.49 -1.00 0.00 0.00 179.01 179.05 3kox h GLU 394 N 0.52 0.00 -0.25 2.33 4.81 -0.63 -2.11 114.58 119.26 3kox h GLU 394 Ca 0.57 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.79 3kox h GLU 394 Cb 1.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3kox h GLU 394 CO -0.47 0.60 0.13 0.82 -0.73 0.00 0.00 179.01 179.37 3kox h ILE 395 N 0.00 1.12 -0.12 2.32 2.04 0.12 -2.27 117.51 120.72 3kox h ILE 395 Ca -0.01 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3kox h ILE 395 Cb 1.24 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3kox h ILE 395 CO 0.08 0.12 0.04 0.40 0.00 0.00 0.00 178.15 178.79 3kox h ILE 396 N 0.28 1.17 -0.57 -0.67 2.04 -1.35 0.14 117.51 118.54 3kox h ILE 396 Ca 0.09 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.52 3kox h ILE 396 Cb 0.07 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3kox h ILE 396 CO -0.01 0.15 0.38 -0.08 0.00 0.00 0.00 178.15 178.59 3kox h GLU 397 N 0.01 0.43 0.00 2.37 4.81 -1.38 0.10 114.58 120.92 3kox h GLU 397 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kox h GLU 397 Cb 0.20 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3kox h GLU 397 CO -0.00 0.28 0.00 0.00 -0.73 0.00 0.00 179.01 178.56 3kox n ALA 398 N -2.51 2.27 0.00 2.92 0.00 -0.86 -4.89 120.51 117.44 3kox n ALA 398 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3kox n ALA 398 Cb 0.32 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3kox n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kox n GLY 399 N 1.34 1.55 0.00 0.00 0.00 0.35 -4.74 105.19 103.70 3kox n GLY 399 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3kox n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kox n GLY 400 N -0.36 -1.12 0.17 -0.02 0.00 0.01 -4.67 105.19 99.21 3kox n GLY 400 Ca 0.00 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 3kox n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kox h TYR 401 N 0.00 0.57 -0.73 1.61 3.20 -1.97 -1.99 116.97 117.66 3kox h TYR 401 Ca 0.00 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.76 3kox h TYR 401 Cb 0.00 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 3kox h TYR 401 CO 0.00 0.73 0.47 0.74 -1.64 0.00 0.00 178.16 178.46 3kox h PHE 402 N 0.25 0.90 -0.47 -3.82 0.04 -1.96 -1.24 116.94 110.64 3kox h PHE 402 Ca 0.06 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 3kox h PHE 402 Cb 0.55 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 3kox h PHE 402 CO 0.05 0.55 0.14 -0.91 -0.60 0.00 0.00 178.31 177.54 3kox h ASN 403 N 0.96 0.69 -0.34 2.17 2.35 -1.72 -1.72 115.58 117.98 3kox h ASN 403 Ca 0.28 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kox h ASN 403 Cb -0.07 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3kox h ASN 403 CO -0.08 0.73 0.22 0.00 -1.65 0.00 0.00 177.43 176.65 3kox h ALA 404 N 0.99 0.43 -0.86 -0.83 0.00 -1.03 -0.12 119.26 117.84 3kox h ALA 404 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kox h ALA 404 Cb 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3kox h ALA 404 CO -0.00 -0.11 0.51 0.28 0.00 0.00 0.00 179.25 179.93 3kox h VAL 405 N 0.45 1.24 -0.95 0.00 2.07 -1.00 -2.39 116.25 115.68 3kox h VAL 405 Ca 0.12 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3kox h VAL 405 Cb -0.05 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 29.72 3kox h VAL 405 CO -0.03 0.26 0.60 -0.33 0.02 0.00 0.00 177.57 178.10 3kox h GLU 406 N 1.19 1.26 -0.07 1.57 5.08 -0.80 -2.74 114.58 120.07 3kox h GLU 406 Ca 0.31 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3kox h GLU 406 Cb -0.03 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.95 3kox h GLU 406 CO -0.06 0.86 0.00 1.04 -1.00 0.00 0.00 179.01 179.85 3kox n GLN 407 N -4.40 1.08 -2.78 2.33 6.02 -0.10 -4.56 117.38 114.97 3kox n GLN 407 Ca 0.11 -0.12 -0.14 0.00 -0.01 0.00 0.00 57.00 56.84 3kox n GLN 407 Cb 0.03 -1.04 0.03 0.00 1.02 0.00 0.00 30.24 30.27 3kox n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kox n GLY 408 N 0.53 -0.07 0.16 1.08 0.00 -0.94 -4.91 105.19 101.04 3kox n GLY 408 Ca 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.84 3kox n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kox h PHE 409 N -0.96 0.00 -2.55 1.61 -1.00 -1.73 -3.38 116.94 108.93 3kox h PHE 409 Ca -0.34 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 59.90 3kox h PHE 409 Cb 1.23 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.76 3kox h PHE 409 CO 0.33 0.51 -0.48 -0.06 -1.61 0.00 0.00 178.31 177.01 3kox s PHE 410 N -3.82 3.44 -1.81 -0.55 0.08 -1.26 -4.22 117.98 109.83 3kox s PHE 410 Ca -0.02 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.12 3kox s PHE 410 Cb 0.13 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 3kox s PHE 410 CO 0.74 0.51 0.00 0.28 -0.10 0.00 0.00 175.22 176.66 3kox n VAL 411 N -0.57 -0.02 -2.68 -0.44 0.31 -1.26 -1.82 118.33 111.84 3kox n VAL 411 Ca -0.07 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 3kox n VAL 411 Cb 0.54 -1.74 -0.06 0.00 -0.91 0.00 0.00 33.84 31.67 3kox n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kox s ASP 412 N -2.81 7.47 0.00 4.52 2.15 -1.26 -4.21 116.67 122.53 3kox s ASP 412 Ca 0.00 2.00 0.17 0.00 0.43 0.00 0.00 52.55 55.15 3kox s ASP 412 Cb 0.00 -2.61 0.87 0.00 -0.30 0.00 0.00 42.92 40.88 3kox s ASP 412 CO 0.00 0.02 1.58 -1.54 -0.17 0.00 0.00 175.17 175.06 3kox n SER 413 N 1.18 0.45 -4.93 -0.34 3.41 -1.26 -4.83 113.62 107.30 3kox n SER 413 Ca -0.01 -1.57 -0.25 0.00 -0.26 0.00 0.00 58.87 56.78 3kox n SER 413 Cb 0.47 -0.03 0.06 0.00 -0.26 0.00 0.00 64.21 64.45 3kox n SER 413 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kox s GLY 414 N -1.49 1.69 -0.49 5.00 0.00 -1.26 -4.79 107.32 105.98 3kox s GLY 414 Ca 0.25 -0.94 -0.14 0.00 0.00 0.00 0.00 44.72 43.89 3kox s GLY 414 CO 0.20 -0.57 0.42 -0.47 0.00 0.00 0.00 173.10 172.67 3kox s TYR 415 N -3.13 3.27 0.20 1.90 5.04 -1.24 -4.70 117.35 118.68 3kox s TYR 415 Ca 0.59 -1.22 -0.32 0.00 -2.44 0.00 0.00 57.07 53.68 3kox s TYR 415 Cb -0.11 -3.42 -0.15 0.00 0.35 0.00 0.00 41.96 38.63 3kox s TYR 415 CO 0.44 -0.91 1.25 0.98 -1.34 0.00 0.00 175.55 175.97 3kox n TYR 416 N 5.16 1.61 1.78 4.97 9.36 -1.26 -1.55 117.16 137.24 3kox n TYR 416 Ca -0.12 0.59 0.16 0.00 3.32 0.00 0.00 57.90 61.84 3kox n TYR 416 Cb 0.42 -2.34 0.87 0.00 -0.63 0.00 0.00 39.34 37.65 3kox n TYR 416 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kox n PRO 417 N 1.85 0.83 -1.90 2.98 -0.04 -1.26 -4.92 135.00 132.53 3kox n PRO 417 Ca 0.14 -0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 63.15 3kox n PRO 417 Cb 0.27 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 3kox n PRO 417 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3kox s GLU 418 N -2.20 4.20 -0.17 0.54 2.12 -0.59 -5.00 118.70 117.59 3kox s GLU 418 Ca 0.41 2.43 0.01 0.00 0.36 0.00 0.00 54.97 58.18 3kox s GLU 418 Cb 0.21 -3.07 0.03 0.00 0.26 0.00 0.00 34.13 31.56 3kox s GLU 418 CO 0.40 -0.51 -0.16 0.50 -0.54 0.00 0.00 175.26 174.95 3kox s ARG 419 N -0.50 2.53 0.16 4.30 3.52 -1.26 -3.67 118.95 124.02 3kox s ARG 419 Ca 0.61 -0.73 0.26 0.00 -0.13 0.00 0.00 55.73 55.73 3kox s ARG 419 Cb -0.45 -2.36 0.75 0.00 -1.56 0.00 0.00 34.95 31.34 3kox s ARG 419 CO 0.46 -0.27 1.69 0.09 -0.81 0.00 0.00 175.30 176.47 3kox n ASN 420 N 4.69 0.70 0.00 -2.12 3.02 -1.26 -4.94 115.26 115.34 3kox n ASN 420 Ca -0.18 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 3kox n ASN 420 Cb 0.49 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3kox n ASN 420 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kox n GLY 421 N 1.34 0.70 0.94 7.41 0.00 -1.26 -4.97 105.19 109.35 3kox n GLY 421 Ca 0.05 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.84 3kox n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kox n ASP 422 N 0.53 3.55 -4.21 1.61 5.75 -1.26 -5.04 116.55 117.48 3kox n ASP 422 Ca 0.00 -3.18 -0.30 0.00 -0.01 0.00 0.00 54.79 51.30 3kox n ASP 422 Cb 0.00 -0.57 0.19 0.00 -1.03 0.00 0.00 41.12 39.71 3kox n ASP 422 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3kox s GLY 423 N -2.08 1.67 -0.21 6.12 0.00 -1.26 -4.74 107.32 106.83 3kox s GLY 423 Ca 0.43 -0.97 -0.17 0.00 0.00 0.00 0.00 44.72 44.00 3kox s GLY 423 CO 0.07 -0.22 0.48 -0.42 0.00 0.00 0.00 173.10 173.00 3kox s ILE 424 N -3.50 5.13 -0.33 0.90 -1.09 -0.76 -4.93 121.20 116.62 3kox s ILE 424 Ca 0.70 0.86 -0.10 0.00 -2.23 0.00 0.00 60.65 59.88 3kox s ILE 424 Cb -0.08 -3.80 -0.00 0.00 -1.58 0.00 0.00 42.46 37.00 3kox s ILE 424 CO 0.54 0.19 0.17 0.00 -1.23 0.00 0.00 174.94 174.61 3kox s ALA 425 N 1.65 3.31 0.31 9.38 0.00 -1.26 -4.41 121.76 130.74 3kox s ALA 425 Ca 0.22 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 3kox s ALA 425 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 3kox s ALA 425 CO 0.09 -1.00 0.53 1.03 0.00 0.00 0.00 175.76 176.41 3kox s ARG 426 N 1.62 3.52 -0.21 0.00 1.81 -1.08 -4.95 118.95 119.65 3kox s ARG 426 Ca 0.04 -0.27 -0.08 0.00 -1.72 0.00 0.00 55.73 53.70 3kox s ARG 426 Cb -0.17 -2.69 -0.04 0.00 -0.45 0.00 0.00 34.95 31.60 3kox s ARG 426 CO 0.07 0.20 0.09 -0.65 -0.68 0.00 0.00 175.30 174.33 3kox s GLN 427 N -4.03 3.95 0.37 3.54 1.11 -1.26 -3.68 119.66 119.67 3kox s GLN 427 Ca 0.40 -0.34 0.12 0.00 0.01 0.00 0.00 55.36 55.55 3kox s GLN 427 Cb -0.10 -3.33 0.91 0.00 -1.01 0.00 0.00 33.01 29.48 3kox s GLN 427 CO 0.34 0.13 1.86 0.97 0.01 0.00 0.00 175.29 178.60 3kox h ILE 428 N 5.03 0.77 -0.54 1.08 2.10 -1.99 0.36 117.51 124.31 3kox h ILE 428 Ca -0.37 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.36 3kox h ILE 428 Cb 1.17 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.02 3kox h ILE 428 CO 0.67 0.11 0.00 -0.46 -1.08 0.00 0.00 178.15 177.39 3kox n ASN 429 N -4.56 3.86 -4.29 2.19 6.94 -1.26 -4.61 115.26 113.53 3kox n ASN 429 Ca 0.18 -2.31 -0.29 0.00 -0.02 0.00 0.00 54.58 52.14 3kox n ASN 429 Cb 0.56 -0.50 -0.07 0.00 -2.36 0.00 0.00 39.78 37.40 3kox n ASN 429 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kox n GLY 430 N 1.05 3.39 0.41 4.83 0.00 0.13 -4.86 105.19 110.14 3kox n GLY 430 Ca 0.21 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3kox n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kox n GLY 431 N -0.97 -2.31 3.75 -0.02 0.00 -1.26 -4.17 105.19 100.21 3kox n GLY 431 Ca -0.13 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 3kox n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kox s ILE 432 N -0.94 3.32 -0.74 -0.61 -1.09 -0.25 -2.70 121.20 118.18 3kox s ILE 432 Ca 0.00 1.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 3kox s ILE 432 Cb 0.00 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 3kox s ILE 432 CO 0.00 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 3kox n GLY 433 N 1.49 0.87 3.77 6.18 0.00 -1.26 -0.47 105.19 115.76 3kox n GLY 433 Ca 0.01 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3kox n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox s ALA 434 N -2.07 3.56 -0.23 4.61 0.00 -1.10 -3.10 121.76 123.43 3kox s ALA 434 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3kox s ALA 434 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3kox s ALA 434 CO 0.00 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.29 3kox n GLY 435 N 0.78 0.53 0.14 0.00 0.00 -1.26 -4.93 105.19 100.45 3kox n GLY 435 Ca 0.01 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 45.11 3kox n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kox n THR 436 N -3.01 1.42 -3.20 2.61 -2.24 -1.18 -4.98 114.28 103.69 3kox n THR 436 Ca -0.02 -1.53 -0.39 0.00 -2.27 0.00 0.00 64.05 59.84 3kox n THR 436 Cb 0.10 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 3kox n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kox s VAL 437 N -1.82 5.04 -0.04 2.28 1.01 -1.26 -5.08 120.40 120.52 3kox s VAL 437 Ca 0.17 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.39 3kox s VAL 437 Cb 0.14 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 3kox s VAL 437 CO 0.03 0.35 -0.18 -0.36 0.00 0.00 0.00 175.10 174.94 3kox s PHE 438 N 0.30 1.75 0.31 5.22 0.08 -1.26 -5.12 117.98 119.26 3kox s PHE 438 Ca 0.31 -0.48 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 3kox s PHE 438 Cb -0.17 -1.17 -0.10 0.00 -0.57 0.00 0.00 43.02 41.01 3kox s PHE 438 CO 0.15 -0.15 1.34 -2.00 -0.10 0.00 0.00 175.22 174.46 3kox s GLU 439 N -0.03 4.33 0.07 0.44 2.12 -1.26 -4.98 118.70 119.39 3kox s GLU 439 Ca -0.03 2.24 -0.30 0.00 0.36 0.00 0.00 54.97 57.24 3kox s GLU 439 Cb -0.11 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 3kox s GLU 439 CO 0.02 -0.25 1.11 1.03 -0.54 0.00 0.00 175.26 176.63 3kox s ARG 440 N -1.47 4.51 0.51 4.30 0.52 -1.26 -5.05 118.95 121.02 3kox s ARG 440 Ca 0.51 1.65 -0.09 0.00 -0.52 0.00 0.00 55.73 57.28 3kox s ARG 440 Cb -0.40 -3.37 -0.05 0.00 0.52 0.00 0.00 34.95 31.65 3kox s ARG 440 CO 0.51 -0.12 0.87 -0.51 0.02 0.00 0.00 175.30 176.08 3kox s ASP 441 N 0.78 6.33 0.54 0.23 1.01 -1.26 -4.92 116.67 119.38 3kox s ASP 441 Ca 0.55 1.17 0.34 0.00 0.71 0.00 0.00 52.55 55.31 3kox s ASP 441 Cb -0.27 -2.35 1.52 0.00 1.01 0.00 0.00 42.92 42.83 3kox s ASP 441 CO 0.30 -0.63 1.84 -0.08 0.21 0.00 0.00 175.17 176.80 3kox h GLU 442 N 0.31 0.00 -0.36 8.23 4.22 -2.02 0.34 114.58 125.29 3kox h GLU 442 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.98 3kox h GLU 442 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3kox h GLU 442 CO 0.62 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 177.05 3kox n ASP 443 N -4.18 4.33 -4.65 1.04 5.75 -1.26 -4.83 116.55 112.76 3kox n ASP 443 Ca 0.22 -2.92 -0.45 0.00 -0.01 0.00 0.00 54.79 51.63 3kox n ASP 443 Cb 1.11 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 40.62 3kox n ASP 443 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kox n TYR 444 N -0.11 1.94 -3.76 2.11 9.36 0.12 -4.84 117.16 121.98 3kox n TYR 444 Ca 0.23 0.53 -0.13 0.00 3.32 0.00 0.00 57.90 61.84 3kox n TYR 444 Cb 0.94 -2.40 -0.09 0.00 -0.63 0.00 0.00 39.34 37.17 3kox n TYR 444 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 3kox s MET 445 N -0.85 0.57 -0.10 2.98 -2.45 -1.26 -1.35 119.30 116.85 3kox s MET 445 Ca 0.65 0.06 -0.01 0.00 -1.25 0.00 0.00 55.69 55.14 3kox s MET 445 Cb -0.67 0.26 0.03 0.00 1.25 0.00 0.00 34.83 35.70 3kox s MET 445 CO 0.54 -0.13 -0.04 0.00 1.05 0.00 0.00 175.02 176.44 3kox s ALA 446 N -0.77 1.04 -1.02 4.11 0.00 -1.26 -4.98 121.76 118.88 3kox s ALA 446 Ca -0.09 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.45 3kox s ALA 446 Cb -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.25 3kox s ALA 446 CO 0.03 -0.45 2.77 -0.35 0.00 0.00 0.00 175.76 177.75 3kox n PRO 447 N 5.04 3.57 -3.90 0.00 -0.04 -1.26 -4.88 135.00 133.52 3kox n PRO 447 Ca -0.10 -2.61 -0.09 0.00 -0.04 0.00 0.00 63.50 60.66 3kox n PRO 447 Cb 0.50 -2.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.41 3kox n PRO 447 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kox s VAL 448 N -0.40 0.15 0.44 0.52 -7.23 -1.26 -3.90 120.40 108.71 3kox s VAL 448 Ca 0.60 -1.30 -0.23 0.00 -1.81 0.00 0.00 61.98 59.25 3kox s VAL 448 Cb 0.25 -1.41 -0.08 0.00 0.56 0.00 0.00 36.38 35.69 3kox s VAL 448 CO -0.10 -0.68 1.07 -0.89 -0.31 0.00 0.00 175.10 174.19 3kox s THR 449 N -3.88 3.60 -1.02 5.32 2.01 -1.26 -4.15 115.64 116.27 3kox s THR 449 Ca 0.06 1.15 -0.04 0.00 0.31 0.00 0.00 61.69 63.18 3kox s THR 449 Cb 0.05 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 69.01 3kox s THR 449 CO -0.10 -0.07 0.87 0.00 -0.69 0.00 0.00 174.62 174.63 3kox n ALA 450 N -0.43 -1.33 -2.80 7.40 0.00 -1.26 -5.03 120.51 117.06 3kox n ALA 450 Ca 0.07 0.14 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 3kox n ALA 450 Cb 0.50 -3.25 -0.06 0.00 0.00 0.00 0.00 19.45 16.64 3kox n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kox s HIS 451 N -3.27 3.57 -0.20 0.00 5.04 -1.26 -4.34 115.29 114.82 3kox s HIS 451 Ca 0.23 0.54 -0.15 0.00 -1.54 0.00 0.00 55.06 54.14 3kox s HIS 451 Cb -0.10 -2.05 -0.19 0.00 0.04 0.00 0.00 32.58 30.27 3kox s HIS 451 CO 0.58 0.60 0.12 0.34 -2.34 0.00 0.00 174.74 174.04 3kox n PHE 452 N 2.39 0.83 -0.72 3.88 7.35 -1.26 -5.03 117.46 124.89 3kox n PHE 452 Ca -0.18 0.29 -0.24 0.00 -0.76 0.00 0.00 57.45 56.57 3kox n PHE 452 Cb 0.54 -1.09 0.21 0.00 0.35 0.00 0.00 39.48 39.49 3kox n PHE 452 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kox n GLY 453 N 1.58 -3.04 3.68 7.13 0.00 -1.26 -4.94 105.19 108.33 3kox n GLY 453 Ca -0.37 -1.43 -0.45 0.00 0.00 0.00 0.00 46.02 43.77 3kox n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kox n TYR 454 N -4.61 2.32 -3.62 1.61 9.36 -1.26 -4.97 117.16 115.99 3kox n TYR 454 Ca 0.12 0.28 -0.21 0.00 3.32 0.00 0.00 57.90 61.41 3kox n TYR 454 Cb 0.47 -2.54 -0.16 0.00 -0.63 0.00 0.00 39.34 36.47 3kox n TYR 454 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kox s ASN 455 N 0.80 1.47 -0.91 2.98 2.47 -1.26 -4.81 114.94 115.68 3kox s ASN 455 Ca 0.76 -0.13 -0.16 0.00 0.42 0.00 0.00 52.86 53.75 3kox s ASN 455 Cb -0.65 0.01 0.19 0.00 -1.45 0.00 0.00 41.25 39.35 3kox s ASN 455 CO 0.40 -0.29 0.97 0.21 -3.72 0.00 0.00 177.10 174.67 3kox s ASN 456 N 2.21 6.77 -0.13 -4.21 3.84 -0.45 -4.73 114.94 118.24 3kox s ASN 456 Ca 0.04 -2.51 0.16 0.00 0.21 0.00 0.00 52.86 50.76 3kox s ASN 456 Cb -0.14 -2.30 -0.24 0.00 -0.55 0.00 0.00 41.25 38.02 3kox s ASN 456 CO -0.07 -0.76 0.32 0.52 -2.79 0.00 0.00 177.10 174.32 3kox n VAL 457 N 4.53 1.43 -0.30 -5.21 0.31 -1.26 -4.16 118.33 113.68 3kox n VAL 457 Ca 0.20 -0.82 0.12 0.00 -0.01 0.00 0.00 64.34 63.82 3kox n VAL 457 Cb 0.47 -0.66 0.23 0.00 -0.91 0.00 0.00 33.84 32.97 3kox n VAL 457 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kox n LYS 458 N -2.85 -0.07 0.25 5.55 5.02 -1.26 -0.29 118.16 124.51 3kox n LYS 458 Ca -0.26 1.29 0.18 0.00 -2.02 0.00 0.00 58.31 57.51 3kox n LYS 458 Cb 1.10 -2.04 0.88 0.00 -0.02 0.00 0.00 35.03 34.95 3kox n LYS 458 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 3kox h GLN 459 N 0.00 0.00 0.00 1.97 3.07 -1.98 -1.88 115.11 116.30 3kox h GLN 459 Ca 0.50 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 59.04 3kox h GLN 459 Cb 1.01 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.53 3kox h GLN 459 CO -0.82 0.00 -1.76 0.66 0.09 0.00 0.00 178.83 177.00 3kox n TYR 460 N -3.44 0.00 -3.15 0.06 4.01 0.60 -5.05 117.16 110.20 3kox n TYR 460 Ca 0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 3kox n TYR 460 Cb 0.34 -0.54 -0.00 0.00 -0.31 0.00 0.00 39.34 38.82 3kox n TYR 460 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kox s ASP 461 N -4.55 -0.18 0.56 7.72 -1.08 0.21 -5.05 116.67 114.29 3kox s ASP 461 Ca -0.08 0.04 0.24 0.00 -0.52 0.00 0.00 52.55 52.23 3kox s ASP 461 Cb 0.04 1.12 1.57 0.00 -1.46 0.00 0.00 42.92 44.19 3kox s ASP 461 CO 0.43 -0.03 2.20 -0.33 0.52 0.00 0.00 175.17 177.95 3kox h GLU 462 N 7.31 0.00 -0.23 4.34 3.07 -1.77 -1.39 114.58 125.91 3kox h GLU 462 Ca -0.11 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.69 3kox h GLU 462 Cb 1.17 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 3kox h GLU 462 CO -0.16 0.01 -0.15 0.00 -1.40 0.00 0.00 179.01 177.32 3kox h ALA 463 N 1.99 1.33 -0.02 3.43 0.00 -1.95 -3.16 119.26 120.87 3kox h ALA 463 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kox h ALA 463 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kox h ALA 463 CO 0.00 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.98 3kox n LEU 464 N -4.21 0.54 -0.25 0.00 4.32 -0.52 -4.39 117.00 112.49 3kox n LEU 464 Ca 0.00 -0.20 0.18 0.00 -0.02 0.00 0.00 56.01 55.97 3kox n LEU 464 Cb 0.31 -0.01 0.49 0.00 -1.62 0.00 0.00 43.42 42.59 3kox n LEU 464 CO 0.40 0.10 1.22 0.58 -1.22 0.00 0.00 177.39 178.46 3kox h VAL 465 N 0.79 0.70 -0.59 4.08 2.07 -1.61 -0.05 116.25 121.65 3kox h VAL 465 Ca 0.00 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 3kox h VAL 465 Cb 0.17 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.06 3kox h VAL 465 CO 0.00 0.08 0.14 -1.54 0.02 0.00 0.00 177.57 176.28 3kox n SER 466 N -4.53 4.59 -2.96 0.57 3.41 -1.26 -4.44 113.62 109.00 3kox n SER 466 Ca 0.19 -3.19 -0.14 0.00 -0.26 0.00 0.00 58.87 55.47 3kox n SER 466 Cb 0.66 -0.69 0.03 0.00 -0.26 0.00 0.00 64.21 63.95 3kox n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kox n GLU 467 N -0.20 0.96 -0.35 4.33 -0.58 -0.04 -5.02 120.64 119.74 3kox n GLU 467 Ca 0.34 -2.61 0.37 0.00 -0.42 0.00 0.00 57.16 54.84 3kox n GLU 467 Cb 1.23 -1.36 0.76 0.00 -0.57 0.00 0.00 31.44 31.50 3kox n GLU 467 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kox h PRO 468 N 3.16 0.00 0.00 3.49 0.11 -1.75 0.39 132.00 137.39 3kox h PRO 468 Ca -0.01 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3kox h PRO 468 Cb 1.02 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3kox h PRO 468 CO 0.32 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.98 3kox n SER 469 N -4.16 0.27 -0.33 -2.05 3.41 -1.25 -1.83 113.62 107.68 3kox n SER 469 Ca 0.27 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 3kox n SER 469 Cb 1.31 -0.61 0.14 0.00 -0.26 0.00 0.00 64.21 64.78 3kox n SER 469 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kox h LYS 470 N 0.00 1.04 -1.25 4.33 1.57 -0.53 0.21 116.57 121.94 3kox h LYS 470 Ca 0.00 -0.06 0.44 0.00 -1.87 0.00 0.00 60.65 59.16 3kox h LYS 470 Cb 0.43 -0.23 -0.13 0.00 0.08 0.00 0.00 32.23 32.37 3kox h LYS 470 CO 0.00 0.69 0.79 1.28 -0.57 0.00 0.00 179.45 181.64 3kox n LEU 471 N -4.56 0.21 -0.32 2.94 4.32 -0.76 -1.12 117.00 117.71 3kox n LEU 471 Ca 0.13 1.32 0.08 0.00 -0.02 0.00 0.00 56.01 57.51 3kox n LEU 471 Cb 0.15 -0.65 0.15 0.00 -1.62 0.00 0.00 43.42 41.45 3kox n LEU 471 CO 0.32 -1.44 0.46 2.30 -1.22 0.00 0.00 177.39 177.82 3kox n ILE 472 N -4.63 1.80 -3.28 -0.08 -5.35 -0.76 -4.99 119.36 102.07 3kox n ILE 472 Ca 0.37 -2.39 -0.17 0.00 -0.27 0.00 0.00 62.75 60.29 3kox n ILE 472 Cb 1.43 -0.15 0.06 0.00 -1.74 0.00 0.00 39.64 39.25 3kox n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kox n ASP 473 N -1.17 -4.49 0.00 7.28 8.00 -0.28 -4.76 116.55 121.13 3kox n ASP 473 Ca 0.16 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.22 3kox n ASP 473 Cb 0.68 -4.02 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 3kox n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kox n GLY 474 N -1.52 -2.06 3.96 0.44 0.00 0.67 -4.93 105.19 101.76 3kox n GLY 474 Ca -0.05 -1.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 3kox n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox h THR 476 N -0.34 0.14 -0.58 0.00 1.35 -1.94 0.62 112.91 112.16 3kox h THR 476 Ca -0.41 -0.05 0.05 0.00 -0.55 0.00 0.00 66.41 65.45 3kox h THR 476 Cb 1.29 -0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 3kox h THR 476 CO 0.51 0.03 0.39 -0.07 -0.25 0.00 0.00 175.52 176.12 3kox h LEU 477 N 0.14 0.53 0.03 3.87 3.38 -1.96 -2.68 115.31 118.62 3kox h LEU 477 Ca 0.80 -0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.44 3kox h LEU 477 Cb 2.16 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.74 3kox h LEU 477 CO -0.60 0.35 -1.92 -0.62 0.09 0.00 0.00 178.44 175.74 3kox n GLU 478 N -4.47 0.67 -3.59 1.13 4.71 0.09 -4.79 120.64 114.39 3kox n GLU 478 Ca 0.08 0.24 -0.28 0.00 -0.01 0.00 0.00 57.16 57.18 3kox n GLU 478 Cb 0.20 -1.72 -0.12 0.00 -1.01 0.00 0.00 31.44 28.79 3kox n GLU 478 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kox s VAL 479 N -2.57 1.10 -1.59 2.62 1.01 -0.47 -4.98 120.40 115.53 3kox s VAL 479 Ca -0.12 -2.80 0.24 0.00 0.00 0.00 0.00 61.98 59.29 3kox s VAL 479 Cb 0.07 -1.76 0.48 0.00 0.00 0.00 0.00 36.38 35.18 3kox s VAL 479 CO 0.80 -1.06 1.78 -0.81 0.00 0.00 0.00 175.10 175.80 3kox n PRO 480 N 3.04 0.45 0.17 2.72 -0.04 -1.06 -1.82 135.00 138.46 3kox n PRO 480 Ca 0.19 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 3kox n PRO 480 Cb 0.40 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.92 3kox n PRO 480 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kox h GLU 481 N 0.00 0.00 0.00 0.54 3.07 -1.94 -2.80 114.58 113.46 3kox h GLU 481 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kox h GLU 481 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3kox h GLU 481 CO 0.00 0.00 0.00 0.87 -1.40 0.00 0.00 179.01 178.48 3kox h LYS 482 N 0.00 0.00 -6.58 2.33 1.57 -1.72 -3.45 116.57 108.72 3kox h LYS 482 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3kox h LYS 482 Cb 0.35 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.73 3kox h LYS 482 CO 0.00 0.00 0.76 -0.89 -0.57 0.00 0.00 179.45 178.75 3kox n ILE 483 N -3.03 0.45 -3.54 1.86 5.41 -1.06 -4.97 119.36 114.48 3kox n ILE 483 Ca 0.03 -0.11 -0.38 0.00 1.00 0.00 0.00 62.75 63.29 3kox n ILE 483 Cb 0.45 -1.60 -0.10 0.00 -0.71 0.00 0.00 39.64 37.68 3kox n ILE 483 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3kox s VAL 484 N 0.49 5.28 -0.21 1.39 1.01 -1.26 -5.08 120.40 122.01 3kox s VAL 484 Ca 0.73 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.99 3kox s VAL 484 Cb -0.63 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3kox s VAL 484 CO 0.43 0.25 0.02 -0.47 0.00 0.00 0.00 175.10 175.33 3kox s TYR 485 N 1.60 3.06 -0.13 5.22 5.04 -1.26 -5.08 117.35 125.79 3kox s TYR 485 Ca 0.10 -0.44 -0.04 0.00 -2.44 0.00 0.00 57.07 54.25 3kox s TYR 485 Cb -0.15 -2.12 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 3kox s TYR 485 CO 0.09 -0.25 0.03 0.42 -1.34 0.00 0.00 175.55 174.49 3kox s ILE 486 N 1.11 4.50 0.00 3.14 1.01 -1.26 -5.04 121.20 124.65 3kox s ILE 486 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3kox s ILE 486 Cb -0.14 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.38 3kox s ILE 486 CO 0.02 0.55 0.00 -0.67 0.00 0.00 0.00 174.94 174.84 3kox n ASP 487 N 2.74 0.00 -3.80 3.58 2.03 -1.26 -4.55 116.55 115.29 3kox n ASP 487 Ca -0.18 0.39 -0.12 0.00 0.52 0.00 0.00 54.79 55.40 3kox n ASP 487 Cb 0.53 -0.43 -0.11 0.00 -0.72 0.00 0.00 41.12 40.39 3kox n ASP 487 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3kox s GLU 488 N -0.85 0.32 -0.08 -0.67 0.41 -1.26 -3.55 118.70 113.03 3kox s GLU 488 Ca 0.00 0.17 0.19 0.00 -0.41 0.00 0.00 54.97 54.92 3kox s GLU 488 Cb 0.00 0.15 -0.29 0.00 -1.78 0.00 0.00 34.13 32.21 3kox s GLU 488 CO 0.00 -0.05 0.32 1.28 -0.49 0.00 0.00 175.26 176.32 3kox n LEU 489 N 2.62 0.00 -4.15 1.80 4.77 -1.26 -4.92 117.00 115.85 3kox n LEU 489 Ca -0.15 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.49 3kox n LEU 489 Cb 0.58 0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.67 3kox n LEU 489 CO 0.19 0.14 -0.40 -0.62 -1.33 0.00 0.00 177.39 175.38 3kox s ASP 490 N -4.62 4.61 0.59 -1.43 -1.08 -1.26 -4.99 116.67 108.49 3kox s ASP 490 Ca -0.08 -1.19 0.35 0.00 -0.52 0.00 0.00 52.55 51.11 3kox s ASP 490 Cb 0.11 -1.66 1.86 0.00 -1.46 0.00 0.00 42.92 41.77 3kox s ASP 490 CO 0.81 -0.21 2.20 -0.33 0.52 0.00 0.00 175.17 178.17 3kox h GLU 491 N 7.95 0.00 0.00 4.34 3.07 -2.02 -3.21 114.58 124.71 3kox h GLU 491 Ca -0.24 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.26 3kox h GLU 491 Cb 1.07 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.91 3kox h GLU 491 CO 0.53 0.04 -2.36 0.09 -1.40 0.00 0.00 179.01 175.90 3kox n ASN 492 N -3.37 0.16 -3.95 1.42 4.13 -1.26 -4.80 115.26 107.59 3kox n ASN 492 Ca -0.02 -0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.90 3kox n ASN 492 Cb 0.16 0.96 -0.07 0.00 -1.54 0.00 0.00 39.78 39.29 3kox n ASN 492 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3kox n ASP 493 N -2.74 4.14 -3.80 6.41 2.03 -1.21 -4.85 116.55 116.53 3kox n ASP 493 Ca -0.32 -3.23 -0.09 0.00 0.52 0.00 0.00 54.79 51.67 3kox n ASP 493 Cb 1.14 -0.96 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 3kox n ASP 493 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3kox s ASN 494 N -0.95 -0.25 0.37 1.67 2.20 -1.24 -3.54 114.94 113.20 3kox s ASN 494 Ca 0.30 -0.57 0.05 0.00 -0.94 0.00 0.00 52.86 51.70 3kox s ASN 494 Cb -0.02 0.63 0.73 0.00 -2.00 0.00 0.00 41.25 40.60 3kox s ASN 494 CO -0.09 -1.17 1.97 1.62 -2.94 0.00 0.00 177.10 176.49 3kox h VAL 495 N 2.12 1.15 -0.50 3.54 3.04 -1.92 -2.42 116.25 121.26 3kox h VAL 495 Ca -0.25 -0.46 -0.07 0.00 -1.01 0.00 0.00 66.70 64.91 3kox h VAL 495 Cb 1.26 0.68 -0.02 0.00 -2.01 0.00 0.00 31.29 31.20 3kox h VAL 495 CO 0.32 0.18 0.05 0.78 -1.01 0.00 0.00 177.57 177.89 3kox h ASN 496 N 0.56 0.82 -0.36 3.17 2.35 -1.97 0.71 115.58 120.85 3kox h ASN 496 Ca 0.14 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3kox h ASN 496 Cb 0.11 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3kox h ASN 496 CO -0.01 0.89 0.18 0.58 -1.65 0.00 0.00 177.43 177.42 3kox h VAL 497 N 0.72 1.16 -0.10 2.81 2.07 -1.80 -2.05 116.25 119.06 3kox h VAL 497 Ca 0.15 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3kox h VAL 497 Cb 0.44 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3kox h VAL 497 CO 0.02 0.17 -0.07 0.03 0.02 0.00 0.00 177.57 177.73 3kox h ARG 498 N 0.45 -0.08 -0.63 1.57 3.08 -0.98 -2.46 114.38 115.33 3kox h ARG 498 Ca 0.12 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.24 3kox h ARG 498 Cb 0.11 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 3kox h ARG 498 CO -0.02 -0.05 0.34 0.52 -1.07 0.00 0.00 179.97 179.69 3kox h MET 499 N -0.08 0.61 -0.82 0.04 2.86 0.80 -1.53 114.93 116.80 3kox h MET 499 Ca 0.07 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3kox h MET 499 Cb 0.18 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 3kox h MET 499 CO -0.15 0.40 0.50 1.49 1.06 0.00 0.00 176.91 180.21 3kox h GLU 500 N 0.63 1.10 -0.88 1.72 4.22 -1.23 0.05 114.58 120.18 3kox h GLU 500 Ca 0.28 -0.09 0.24 0.00 0.08 0.00 0.00 59.36 59.87 3kox h GLU 500 Cb 0.18 -0.23 -0.14 0.00 0.50 0.00 0.00 28.75 29.05 3kox h GLU 500 CO -0.18 0.76 0.23 0.93 -2.18 0.00 0.00 179.01 178.57 3kox h GLU 501 N 1.12 0.19 -0.26 1.92 4.39 -0.79 0.23 114.58 121.37 3kox h GLU 501 Ca 0.29 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.93 3kox h GLU 501 Cb -0.06 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3kox h GLU 501 CO -0.06 0.13 -0.02 0.25 -1.16 0.00 0.00 179.01 178.15 3kox n THR 502 N -5.24 2.33 -0.06 1.13 -2.24 -0.94 -4.59 114.28 104.67 3kox n THR 502 Ca 0.22 -2.19 0.15 0.00 -2.27 0.00 0.00 64.05 59.96 3kox n THR 502 Cb 0.69 -0.28 0.57 0.00 -2.10 0.00 0.00 70.33 69.22 3kox n THR 502 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kox h LYS 503 N 1.34 0.25 0.00 -0.78 1.57 0.11 -1.68 116.57 117.37 3kox h LYS 503 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kox h LYS 503 Cb 1.46 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.72 3kox h LYS 503 CO 0.25 0.16 0.04 -0.85 -0.57 0.00 0.00 179.45 178.49 3kox n GLU 504 N -4.44 0.01 -0.03 3.15 0.28 -1.26 -3.11 120.64 115.24 3kox n GLU 504 Ca 0.10 0.47 0.02 0.00 -0.16 0.00 0.00 57.16 57.59 3kox n GLU 504 Cb 0.48 -1.57 -0.10 0.00 1.43 0.00 0.00 31.44 31.68 3kox n GLU 504 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3kox n PHE 505 N -1.51 0.00 -2.69 -1.84 3.01 -0.63 -4.86 117.46 108.94 3kox n PHE 505 Ca -0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 3kox n PHE 505 Cb 0.05 -0.41 0.01 0.00 -0.01 0.00 0.00 39.48 39.12 3kox n PHE 505 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3kox n ARG 506 N -2.13 4.14 0.00 -1.08 1.74 -1.18 -4.54 116.66 113.61 3kox n ARG 506 Ca -0.09 -4.10 0.00 0.00 -0.77 0.00 0.00 57.85 52.89 3kox n ARG 506 Cb 0.54 -2.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 3kox n ARG 506 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kox n SER 509 N 2.39 0.42 -4.82 0.55 2.88 -1.26 -5.07 113.62 108.70 3kox n SER 509 Ca 0.33 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.54 3kox n SER 509 Cb 0.34 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 3kox n SER 509 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3kox s MET 510 N -1.14 3.76 0.05 -1.46 -1.94 -1.26 -1.81 119.30 115.50 3kox s MET 510 Ca 0.00 1.16 0.00 0.00 -1.71 0.00 0.00 55.69 55.14 3kox s MET 510 Cb 0.00 -2.10 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 3kox s MET 510 CO 0.00 -0.44 -0.05 -1.50 -0.01 0.00 0.00 175.02 173.03 3kox s ILE 511 N -2.35 0.33 0.20 2.53 2.07 -0.26 -4.90 121.20 118.82 3kox s ILE 511 Ca 0.63 -1.43 -0.16 0.00 -1.41 0.00 0.00 60.65 58.28 3kox s ILE 511 Cb -0.13 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.47 3kox s ILE 511 CO 0.27 -0.71 0.50 -1.59 -1.91 0.00 0.00 174.94 171.50 3kox s LYS 512 N -2.74 1.40 0.83 3.50 -2.85 -1.26 -2.30 119.74 116.32 3kox s LYS 512 Ca -0.02 -0.96 -0.11 0.00 -1.00 0.00 0.00 55.97 53.88 3kox s LYS 512 Cb -0.01 0.50 0.09 0.00 -2.06 0.00 0.00 37.83 36.35 3kox s LYS 512 CO -0.04 -0.59 1.09 -1.25 0.10 0.00 0.00 175.35 174.66 3kox s PRO 513 N -3.90 1.79 0.11 1.78 0.04 -1.26 -4.71 135.00 128.86 3kox s PRO 513 Ca 0.12 1.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.01 3kox s PRO 513 Cb -0.01 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.71 3kox s PRO 513 CO -0.00 -1.92 0.38 -1.83 0.04 0.00 0.00 177.00 173.67 3kox s GLU 514 N -4.92 1.03 -0.02 4.56 -1.05 -1.26 -1.27 118.70 115.77 3kox s GLU 514 Ca 0.62 -0.70 0.01 0.00 -0.15 0.00 0.00 54.97 54.75 3kox s GLU 514 Cb -0.17 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 33.94 3kox s GLU 514 CO 0.56 -0.39 -0.00 1.33 0.95 0.00 0.00 175.26 177.71 3kox n VAL 515 N -0.14 0.14 0.00 1.83 0.24 -1.26 -4.81 118.33 114.32 3kox n VAL 515 Ca -0.16 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3kox n VAL 515 Cb 0.63 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 3kox n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kox n GLU 516 N -2.20 0.00 -4.92 7.34 0.28 -1.26 -1.10 120.64 118.78 3kox n GLU 516 Ca -0.04 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.65 3kox n GLU 516 Cb 0.56 -0.45 -0.14 0.00 1.43 0.00 0.00 31.44 32.85 3kox n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3kox s TRP 517 N -1.00 2.54 -0.35 -1.84 0.51 -1.26 -4.68 118.94 112.85 3kox s TRP 517 Ca 0.00 -0.28 -0.42 0.00 -2.12 0.00 0.00 56.10 53.28 3kox s TRP 517 Cb 0.00 -1.53 -0.17 0.00 -0.81 0.00 0.00 33.47 30.97 3kox s TRP 517 CO 0.00 0.15 1.72 0.94 -0.51 0.00 0.00 176.95 179.25 3kox n GLN 518 N 2.05 0.78 -2.53 4.98 7.27 -1.26 -1.45 117.38 127.22 3kox n GLN 518 Ca -0.16 0.29 -0.15 0.00 0.07 0.00 0.00 57.00 57.04 3kox n GLN 518 Cb 0.52 -1.92 0.01 0.00 2.41 0.00 0.00 30.24 31.26 3kox n GLN 518 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kox n ALA 519 N 5.09 -0.55 0.76 1.69 0.00 -1.26 -4.90 120.51 121.34 3kox n ALA 519 Ca 0.29 0.16 0.13 0.00 0.00 0.00 0.00 53.44 54.02 3kox n ALA 519 Cb 0.07 -2.29 0.49 0.00 0.00 0.00 0.00 19.45 17.72 3kox n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kox n ASP 520 N -1.01 0.47 0.00 0.00 5.68 -0.53 -4.92 116.55 116.25 3kox n ASP 520 Ca -0.13 0.55 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 3kox n ASP 520 Cb 0.61 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 3kox n ASP 520 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kox n GLY 521 N 1.30 1.85 3.77 6.12 0.00 -0.40 -4.83 105.19 113.00 3kox n GLY 521 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3kox n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kox s THR 522 N -3.41 3.35 0.24 2.61 2.01 -1.26 -0.30 115.64 118.89 3kox s THR 522 Ca 0.00 1.20 0.01 0.00 0.31 0.00 0.00 61.69 63.21 3kox s THR 522 Cb 0.00 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3kox s THR 522 CO 0.00 0.17 0.10 0.68 -0.69 0.00 0.00 174.62 174.88 3kox s VAL 523 N -1.36 0.42 -0.14 3.82 -7.23 -0.02 -4.08 120.40 111.81 3kox s VAL 523 Ca 0.52 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.69 3kox s VAL 523 Cb -0.30 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 3kox s VAL 523 CO 0.38 -0.01 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.82 3kox s LEU 524 N -3.27 2.73 -0.19 1.32 2.96 -1.26 -2.00 118.68 118.97 3kox s LEU 524 Ca 0.38 -0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 53.88 3kox s LEU 524 Cb 0.08 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 3kox s LEU 524 CO 0.13 0.15 0.07 -0.22 -1.32 0.00 0.00 176.35 175.16 3kox s LEU 525 N 0.46 3.82 -0.10 -0.68 2.96 0.25 -4.99 118.68 120.40 3kox s LEU 525 Ca -0.09 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 3kox s LEU 525 Cb -0.16 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.56 3kox s LEU 525 CO 0.05 0.16 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.12 3kox s THR 526 N 0.45 1.96 0.14 3.68 2.01 -1.26 -1.15 115.64 121.46 3kox s THR 526 Ca 0.03 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 3kox s THR 526 Cb -0.12 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.67 3kox s THR 526 CO 0.00 0.54 0.21 0.00 -0.69 0.00 0.00 174.62 174.68 3kox s MET 527 N 0.37 1.03 -0.07 4.92 0.23 -0.72 -5.03 119.30 120.03 3kox s MET 527 Ca -0.18 -1.18 0.04 0.00 -1.03 0.00 0.00 55.69 53.33 3kox s MET 527 Cb -0.18 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.46 3kox s MET 527 CO 0.08 -0.35 -0.18 0.12 -2.03 0.00 0.00 175.02 172.67 3kox s PHE 528 N -3.96 1.92 -0.06 3.16 5.36 -1.26 -1.70 117.98 121.44 3kox s PHE 528 Ca 0.16 -0.69 0.04 0.00 -0.96 0.00 0.00 56.93 55.48 3kox s PHE 528 Cb 0.05 -1.32 0.00 0.00 -0.34 0.00 0.00 43.02 41.41 3kox s PHE 528 CO -0.02 -0.28 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.76 3kox s LEU 529 N 0.33 1.90 -1.52 6.12 1.43 -0.80 -4.98 118.68 121.16 3kox s LEU 529 Ca -0.12 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.48 3kox s LEU 529 Cb -0.15 -1.09 -0.08 0.00 0.03 0.00 0.00 46.19 44.90 3kox s LEU 529 CO 0.05 0.13 2.83 -0.81 0.23 0.00 0.00 176.35 178.78 3kox n PRO 530 N 3.39 3.46 -3.92 1.29 -0.04 -1.26 -1.45 135.00 136.46 3kox n PRO 530 Ca -0.19 -2.11 -0.09 0.00 -0.04 0.00 0.00 63.50 61.07 3kox n PRO 530 Cb 0.53 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 3kox n PRO 530 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kox s THR 531 N 2.38 0.00 0.95 0.52 -1.32 -1.26 -4.69 115.64 112.22 3kox s THR 531 Ca 0.65 -1.20 -0.12 0.00 -1.21 0.00 0.00 61.69 59.80 3kox s THR 531 Cb 0.17 -2.23 0.16 0.00 -1.51 0.00 0.00 72.50 69.09 3kox s THR 531 CO -0.06 0.00 1.11 -0.94 -2.21 0.00 0.00 174.62 172.52 3kox s SER 532 N -3.00 3.12 0.01 8.08 1.04 -1.26 -3.40 113.70 118.29 3kox s SER 532 Ca 0.17 1.16 -0.25 0.00 0.48 0.00 0.00 55.95 57.51 3kox s SER 532 Cb -0.03 -1.80 -0.19 0.00 0.10 0.00 0.00 66.02 64.10 3kox s SER 532 CO 0.09 -2.82 1.40 0.07 0.98 0.00 0.00 173.24 172.97 3kox h LYS 533 N -1.68 -0.02 -0.61 4.02 2.10 -1.93 -0.54 116.57 117.91 3kox h LYS 533 Ca -0.52 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.05 3kox h LYS 533 Cb 1.32 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.63 3kox h LYS 533 CO 0.59 0.32 0.08 -0.09 -2.00 0.00 0.00 179.45 178.35 3kox h ARG 534 N -0.36 1.01 -0.69 0.07 2.43 -1.99 -1.03 114.38 113.82 3kox h ARG 534 Ca -0.00 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 3kox h ARG 534 Cb 0.35 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3kox h ARG 534 CO 0.00 0.94 0.24 0.28 -1.51 0.00 0.00 179.97 179.92 3kox h VAL 535 N 0.94 1.24 -0.51 0.20 2.07 -1.89 -2.73 116.25 115.57 3kox h VAL 535 Ca 0.19 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3kox h VAL 535 Cb 0.43 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3kox h VAL 535 CO 0.01 0.32 0.22 0.00 0.02 0.00 0.00 177.57 178.15 3kox h ALA 536 N 1.26 0.66 -0.23 1.67 0.00 -0.01 0.68 119.26 123.29 3kox h ALA 536 Ca 0.23 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3kox h ALA 536 Cb 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 3kox h ALA 536 CO -0.01 0.25 -0.46 1.49 0.00 0.00 0.00 179.25 180.51 3kox h GLU 537 N 0.68 -0.45 -0.29 0.00 4.81 -1.05 0.41 114.58 118.69 3kox h GLU 537 Ca 0.17 0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 3kox h GLU 537 Cb 0.16 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3kox h GLU 537 CO -0.02 -0.30 -0.43 0.74 -0.73 0.00 0.00 179.01 178.27 3kox h PHE 538 N -0.46 0.89 -0.60 0.92 0.04 -1.17 -1.60 116.94 114.96 3kox h PHE 538 Ca 0.08 -0.28 -0.02 0.00 2.80 0.00 0.00 57.97 60.55 3kox h PHE 538 Cb 0.63 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 3kox h PHE 538 CO -0.57 1.04 0.29 0.00 -0.60 0.00 0.00 178.31 178.47 3kox h ALA 539 N 0.92 0.78 -0.57 2.45 0.00 -0.54 -2.46 119.26 119.83 3kox h ALA 539 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kox h ALA 539 Cb 0.99 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3kox h ALA 539 CO 0.09 0.34 0.22 0.00 0.00 0.00 0.00 179.25 179.90 3kox h ALA 540 N 1.12 1.31 -0.52 0.00 0.00 0.50 -1.24 119.26 120.44 3kox h ALA 540 Ca 0.21 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3kox h ALA 540 Cb 0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3kox h ALA 540 CO -0.03 0.51 0.17 0.82 0.00 0.00 0.00 179.25 180.73 3kox h ILE 541 N 0.82 0.79 -0.39 0.00 1.08 -0.85 -0.58 117.51 118.39 3kox h ILE 541 Ca 0.19 -0.12 -0.06 0.00 -0.39 0.00 0.00 64.86 64.49 3kox h ILE 541 Cb 0.18 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 3kox h ILE 541 CO -0.02 0.06 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.17 3kox h GLU 542 N 0.34 0.69 -0.25 2.37 4.39 -1.08 0.10 114.58 121.14 3kox h GLU 542 Ca 0.26 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.77 3kox h GLU 542 Cb 0.30 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3kox h GLU 542 CO -0.28 0.79 -0.00 0.74 -1.16 0.00 0.00 179.01 179.10 3kox h PHE 543 N 0.51 -0.02 -0.21 4.33 0.04 -0.98 0.91 116.94 121.53 3kox h PHE 543 Ca 0.11 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.93 3kox h PHE 543 Cb 0.48 0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 3kox h PHE 543 CO 0.04 -0.04 -0.00 0.00 -0.60 0.00 0.00 178.31 177.70 3kox h ALA 544 N 1.22 0.18 -0.40 2.45 0.00 -0.54 0.15 119.26 122.31 3kox h ALA 544 Ca 0.12 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3kox h ALA 544 Cb 0.15 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3kox h ALA 544 CO -0.20 -0.43 0.12 0.87 0.00 0.00 0.00 179.25 179.61 3kox h LYS 545 N 0.06 0.26 0.00 0.00 1.57 -0.69 -0.82 116.57 116.95 3kox h LYS 545 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3kox h LYS 545 Cb 0.12 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3kox h LYS 545 CO -0.16 0.17 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 3kox n LYS 546 N -5.04 0.06 -0.60 3.15 4.76 0.30 -0.07 118.16 120.73 3kox n LYS 546 Ca 0.02 0.24 0.07 0.00 -2.87 0.00 0.00 58.31 55.77 3kox n LYS 546 Cb 0.16 -1.50 0.30 0.00 -1.84 0.00 0.00 35.03 32.15 3kox n LYS 546 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kox n MET 547 N -1.43 3.61 -1.24 1.97 2.81 0.42 -4.95 117.12 118.30 3kox n MET 547 Ca 0.04 -2.39 -0.08 0.00 -1.81 0.00 0.00 57.70 53.46 3kox n MET 547 Cb 0.13 -1.92 -0.04 0.00 -0.71 0.00 0.00 33.22 30.68 3kox n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kox n ASN 548 N 0.70 -4.05 -4.77 7.83 3.02 0.91 -5.03 115.26 113.87 3kox n ASN 548 Ca 0.21 0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 54.58 3kox n ASN 548 Cb 0.86 -2.27 -0.06 0.00 -0.61 0.00 0.00 39.78 37.70 3kox n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kox s LEU 549 N -1.86 4.48 0.28 3.41 1.43 -1.00 -4.46 118.68 120.96 3kox s LEU 549 Ca 0.00 1.34 0.05 0.00 -1.03 0.00 0.00 54.13 54.48 3kox s LEU 549 Cb 0.00 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 3kox s LEU 549 CO 0.00 0.14 0.42 -1.83 0.23 0.00 0.00 176.35 175.31 3kox s GLU 550 N -0.54 3.36 -1.54 1.70 4.04 -0.70 -4.36 118.70 120.66 3kox s GLU 550 Ca 0.33 -0.75 -0.05 0.00 0.04 0.00 0.00 54.97 54.55 3kox s GLU 550 Cb -0.20 -2.83 0.01 0.00 0.02 0.00 0.00 34.13 31.13 3kox s GLU 550 CO 0.21 0.29 0.50 -0.85 -1.84 0.00 0.00 175.26 173.57 3kox n GLU 551 N -1.53 -4.26 -1.97 -4.83 -0.00 -1.26 -0.30 120.64 106.49 3kox n GLU 551 Ca -0.06 0.86 -0.42 0.00 -0.00 0.00 0.00 57.16 57.54 3kox n GLU 551 Cb 0.57 -5.67 -0.03 0.00 -0.00 0.00 0.00 31.44 26.31 3kox n GLU 551 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3kox s VAL 552 N -3.12 2.76 -0.04 3.84 1.01 -1.26 -4.59 120.40 119.01 3kox s VAL 552 Ca 0.27 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3kox s VAL 552 Cb -0.12 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 32.95 3kox s VAL 552 CO 0.33 0.04 -0.01 -1.61 0.00 0.00 0.00 175.10 173.85 3kox s GLU 553 N 1.30 0.43 0.17 2.72 2.02 -0.27 -5.00 118.70 120.07 3kox s GLU 553 Ca 0.70 0.05 -0.32 0.00 0.02 0.00 0.00 54.97 55.42 3kox s GLU 553 Cb -0.42 -0.62 -0.11 0.00 0.10 0.00 0.00 34.13 33.09 3kox s GLU 553 CO 0.31 -0.15 1.64 0.08 0.02 0.00 0.00 175.26 177.16 3kox s VAL 554 N 1.15 2.43 -0.08 2.63 1.01 -1.26 -2.10 120.40 124.18 3kox s VAL 554 Ca -0.08 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.19 3kox s VAL 554 Cb -0.13 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3kox s VAL 554 CO -0.02 0.02 0.35 2.30 0.00 0.00 0.00 175.10 177.76 3kox n ILE 555 N 4.06 0.00 -3.61 2.22 -5.35 0.82 -4.94 119.36 112.56 3kox n ILE 555 Ca 0.15 -0.49 -0.03 0.00 -0.27 0.00 0.00 62.75 62.10 3kox n ILE 555 Cb 0.37 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.23 3kox n ILE 555 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3kox s ASN 556 N -0.42 -0.86 -0.08 7.28 2.47 -1.12 -4.82 114.94 117.40 3kox s ASN 556 Ca 0.01 1.29 0.03 0.00 0.42 0.00 0.00 52.86 54.60 3kox s ASN 556 Cb 0.01 1.61 0.01 0.00 -1.45 0.00 0.00 41.25 41.43 3kox s ASN 556 CO 0.02 -0.19 -0.15 -0.13 -3.72 0.00 0.00 177.10 172.93 3kox s ARG 557 N 1.99 2.01 -0.05 0.43 3.00 -1.26 0.31 118.95 125.37 3kox s ARG 557 Ca -0.08 -0.51 0.04 0.00 0.00 0.00 0.00 55.73 55.17 3kox s ARG 557 Cb -0.07 -1.62 0.00 0.00 0.00 0.00 0.00 34.95 33.26 3kox s ARG 557 CO -0.18 0.05 -0.15 -1.21 0.00 0.00 0.00 175.30 173.80 3kox s GLU 558 N 0.64 1.72 -0.37 3.54 2.02 -0.57 -5.00 118.70 120.67 3kox s GLU 558 Ca -0.15 -0.54 -0.27 0.00 0.02 0.00 0.00 54.97 54.03 3kox s GLU 558 Cb -0.16 -1.47 0.02 0.00 0.10 0.00 0.00 34.13 32.62 3kox s GLU 558 CO 0.04 0.18 1.00 0.08 0.02 0.00 0.00 175.26 176.58 3kox s VAL 559 N 0.20 4.51 0.01 2.63 1.01 -1.26 -0.53 120.40 126.97 3kox s VAL 559 Ca -0.07 1.33 -0.09 0.00 0.00 0.00 0.00 61.98 63.15 3kox s VAL 559 Cb -0.12 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 3kox s VAL 559 CO 0.03 -0.60 0.86 0.24 0.00 0.00 0.00 175.10 175.62 3kox h MET 560 N 8.50 -0.30 -3.37 2.72 0.00 -1.58 -3.46 114.93 117.44 3kox h MET 560 Ca -0.22 0.02 -0.18 0.00 0.00 0.00 0.00 59.70 59.32 3kox h MET 560 Cb 1.07 0.07 -0.25 0.00 0.00 0.00 0.00 31.60 32.49 3kox h MET 560 CO 1.02 -0.20 -0.51 -1.14 0.00 0.00 0.00 176.91 176.08 3kox s GLN 561 N -3.18 0.26 0.26 1.72 -0.44 -1.02 -4.97 119.66 112.30 3kox s GLN 561 Ca -0.04 0.09 -0.08 0.00 -2.50 0.00 0.00 55.36 52.82 3kox s GLN 561 Cb 0.00 0.12 0.42 0.00 -1.64 0.00 0.00 33.01 31.92 3kox s GLN 561 CO 0.13 -0.04 1.48 -1.91 0.50 0.00 0.00 175.29 175.45 3kox n GLU 562 N 2.63 -0.09 0.06 1.67 2.13 -1.26 -1.39 120.64 124.38 3kox n GLU 562 Ca -0.15 1.48 -0.19 0.00 0.66 0.00 0.00 57.16 58.95 3kox n GLU 562 Cb 0.58 -2.20 -0.14 0.00 0.27 0.00 0.00 31.44 29.94 3kox n GLU 562 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kox h ALA 563 N 1.86 0.26 0.00 4.31 0.00 -1.97 -3.35 119.26 120.37 3kox h ALA 563 Ca 0.45 -1.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.11 3kox h ALA 563 Cb 0.68 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3kox h ALA 563 CO -0.97 1.13 -0.39 0.93 0.00 0.00 0.00 179.25 179.95 3kox h GLU 564 N 0.08 0.00 0.00 0.00 4.39 -1.62 -3.37 114.58 114.06 3kox h GLU 564 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3kox h GLU 564 Cb 2.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 3kox h GLU 564 CO 0.16 0.39 0.00 0.41 -1.16 0.00 0.00 179.01 178.81 3kox n GLY 565 N 0.69 0.27 2.91 -3.84 0.00 -0.49 -3.98 105.19 100.76 3kox n GLY 565 Ca 0.01 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 3kox n GLY 565 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kox s THR 566 N -1.74 -0.01 0.22 2.61 2.01 -0.53 -1.40 115.64 116.80 3kox s THR 566 Ca 0.00 0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.78 3kox s THR 566 Cb 0.00 -0.09 -0.09 0.00 0.01 0.00 0.00 72.50 72.33 3kox s THR 566 CO 0.00 0.01 0.82 -0.60 -0.69 0.00 0.00 174.62 174.16 3kox s ARG 567 N 0.19 4.54 -0.02 4.92 3.52 0.31 -1.91 118.95 130.49 3kox s ARG 567 Ca -0.01 1.17 0.01 0.00 -0.13 0.00 0.00 55.73 56.77 3kox s ARG 567 Cb -0.02 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.29 3kox s ARG 567 CO -0.01 0.47 -0.05 0.42 -0.81 0.00 0.00 175.30 175.32 3kox s ILE 568 N -1.33 0.46 -0.04 4.11 -1.09 -0.69 -1.51 121.20 121.11 3kox s ILE 568 Ca 0.41 -0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.71 3kox s ILE 568 Cb -0.21 -0.45 -0.02 0.00 -1.58 0.00 0.00 42.46 40.20 3kox s ILE 568 CO 0.25 0.17 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.34 3kox s GLU 569 N 0.38 2.43 0.07 2.79 2.02 0.15 -1.75 118.70 124.79 3kox s GLU 569 Ca -0.05 -0.77 0.06 0.00 0.02 0.00 0.00 54.97 54.23 3kox s GLU 569 Cb -0.08 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 3kox s GLU 569 CO -0.00 0.58 -0.16 -0.51 0.02 0.00 0.00 175.26 175.18 3kox s LEU 570 N -0.62 2.26 -0.05 1.80 1.02 -0.30 -0.13 118.68 122.65 3kox s LEU 570 Ca 0.09 -0.59 -0.01 0.00 0.02 0.00 0.00 54.13 53.64 3kox s LEU 570 Cb -0.11 -0.63 -0.03 0.00 0.02 0.00 0.00 46.19 45.43 3kox s LEU 570 CO 0.00 -0.01 0.01 -1.59 0.02 0.00 0.00 176.35 174.78 3kox s LYS 571 N -1.63 2.94 0.31 1.70 -2.85 -0.89 -0.58 119.74 118.73 3kox s LYS 571 Ca 0.01 -0.48 -0.09 0.00 -1.00 0.00 0.00 55.97 54.42 3kox s LYS 571 Cb -0.10 -2.77 0.01 0.00 -2.06 0.00 0.00 37.83 32.92 3kox s LYS 571 CO 0.02 0.67 0.53 0.20 0.10 0.00 0.00 175.35 176.88 3kox s GLY 572 N -1.20 0.93 -0.03 0.59 0.00 -0.85 -1.11 107.32 105.65 3kox s GLY 572 Ca 0.16 -1.14 0.07 0.00 0.00 0.00 0.00 44.72 43.81 3kox s GLY 572 CO 0.06 -0.74 -0.24 -1.60 0.00 0.00 0.00 173.10 170.59 3kox s ARG 573 N -3.31 2.27 -0.14 2.90 3.52 0.59 -0.84 118.95 123.94 3kox s ARG 573 Ca 0.25 -0.88 -0.23 0.00 -0.13 0.00 0.00 55.73 54.74 3kox s ARG 573 Cb -0.01 -2.13 -0.03 0.00 -1.56 0.00 0.00 34.95 31.22 3kox s ARG 573 CO 0.14 0.53 0.70 0.08 -0.81 0.00 0.00 175.30 175.95 3kox s VAL 574 N -0.54 5.00 -1.64 7.11 1.01 0.59 -1.72 120.40 130.21 3kox s VAL 574 Ca 0.08 1.38 0.26 0.00 0.00 0.00 0.00 61.98 63.70 3kox s VAL 574 Cb -0.11 -4.02 0.22 0.00 0.00 0.00 0.00 36.38 32.47 3kox s VAL 574 CO 0.00 0.14 1.53 -0.81 0.00 0.00 0.00 175.10 175.97 3kox n PRO 575 N 4.61 0.71 -4.58 2.72 -0.04 -1.26 -4.71 135.00 132.45 3kox n PRO 575 Ca 0.00 -0.42 -0.27 0.00 -0.04 0.00 0.00 63.50 62.77 3kox n PRO 575 Cb 0.50 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 3kox n PRO 575 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kox s PHE 576 N -2.58 2.42 0.40 0.54 -0.12 -1.26 -5.17 117.98 112.21 3kox s PHE 576 Ca 0.22 -0.67 0.08 0.00 -0.05 0.00 0.00 56.93 56.51 3kox s PHE 576 Cb 0.19 -1.63 -0.05 0.00 -0.63 0.00 0.00 43.02 40.90 3kox s PHE 576 CO 0.55 0.42 0.17 -1.12 -0.05 0.00 0.00 175.22 175.19 3kox s SER 577 N -3.66 4.46 -0.05 1.98 0.01 -1.26 -4.92 113.70 110.27 3kox s SER 577 Ca 0.34 -1.02 0.01 0.00 1.31 0.00 0.00 55.95 56.60 3kox s SER 577 Cb 0.08 -0.52 0.02 0.00 0.21 0.00 0.00 66.02 65.81 3kox s SER 577 CO 0.17 -0.49 -0.06 -0.63 0.41 0.00 0.00 173.24 172.65 3kox s ILE 578 N -2.56 0.64 -0.37 1.44 -1.09 -0.97 -4.98 121.20 113.31 3kox s ILE 578 Ca 0.40 -0.19 -0.23 0.00 -2.23 0.00 0.00 60.65 58.40 3kox s ILE 578 Cb 0.02 -0.64 0.01 0.00 -1.58 0.00 0.00 42.46 40.27 3kox s ILE 578 CO 0.22 0.25 0.78 -0.62 -1.23 0.00 0.00 174.94 174.34 3kox s ASP 579 N 0.85 6.54 0.27 3.58 2.15 -1.26 -1.10 116.67 127.69 3kox s ASP 579 Ca -0.12 0.32 -0.01 0.00 0.43 0.00 0.00 52.55 53.17 3kox s ASP 579 Cb -0.15 -2.39 0.59 0.00 -0.30 0.00 0.00 42.92 40.67 3kox s ASP 579 CO 0.01 -0.74 1.68 0.40 -0.17 0.00 0.00 175.17 176.35 3kox h ILE 580 N 5.77 0.46 0.00 4.11 1.08 -1.71 0.14 117.51 127.36 3kox h ILE 580 Ca -0.25 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 3kox h ILE 580 Cb 1.09 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3kox h ILE 580 CO 0.91 0.05 0.00 0.78 -0.69 0.00 0.00 178.15 179.21 3kox h ASN 581 N 0.30 0.00 0.58 1.72 2.35 -1.92 -1.65 115.58 116.96 3kox h ASN 581 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 3kox h ASN 581 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3kox h ASN 581 CO -0.55 0.00 -0.07 -1.20 -1.65 0.00 0.00 177.43 173.96 3kox n SER 582 N -2.39 0.19 -4.77 5.81 7.64 0.49 -4.92 113.62 115.67 3kox n SER 582 Ca 0.00 -0.16 -0.40 0.00 1.01 0.00 0.00 58.87 59.32 3kox n SER 582 Cb 0.14 -0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 3kox n SER 582 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kox s LEU 583 N -2.66 4.60 -0.45 -3.43 1.43 -0.62 -5.01 118.68 112.54 3kox s LEU 583 Ca 0.24 1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 54.88 3kox s LEU 583 Cb 0.20 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 43.06 3kox s LEU 583 CO 0.50 0.17 0.52 -0.69 0.23 0.00 0.00 176.35 177.08 3kox s VAL 584 N -1.03 5.00 -0.26 -1.59 1.01 -1.26 -5.03 120.40 117.23 3kox s VAL 584 Ca 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3kox s VAL 584 Cb -0.24 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.08 3kox s VAL 584 CO 0.28 -0.56 0.02 -0.63 0.00 0.00 0.00 175.10 174.21 3kox s ILE 585 N 2.34 1.29 0.70 2.22 1.01 -1.26 -5.12 121.20 122.38 3kox s ILE 585 Ca 0.14 -1.33 -0.15 0.00 0.00 0.00 0.00 60.65 59.32 3kox s ILE 585 Cb -0.18 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.55 3kox s ILE 585 CO 0.14 -0.35 1.14 -2.84 0.00 0.00 0.00 174.94 173.03 3kox s PRO 586 N 1.46 2.48 0.00 2.79 0.02 -1.26 -5.30 135.00 135.19 3kox s PRO 586 Ca 0.02 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.54 3kox s PRO 586 Cb -0.18 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3kox s PRO 586 CO -0.12 -1.52 0.00 -2.30 -0.33 0.00 0.00 177.00 172.73 3kox n PRO 587 N -2.65 0.00 0.00 5.54 -0.02 -1.26 -5.32 135.00 131.29 3kox n PRO 587 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3kox n PRO 587 Cb 0.51 -0.11 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 3kox n PRO 587 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3kox n ILE 591 N 0.00 0.00 -2.69 4.25 0.13 -1.26 -5.36 119.36 114.43 3kox n ILE 591 Ca 0.00 0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.24 3kox n ILE 591 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.76 3kox n ILE 591 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3kox s LEU 592 N 0.00 4.45 0.74 9.51 1.43 -1.26 -5.04 118.68 128.51 3kox s LEU 592 Ca 0.00 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 3kox s LEU 592 Cb 0.00 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.68 3kox s LEU 592 CO 0.00 -0.16 1.08 -0.94 0.23 0.00 0.00 176.35 176.56 3kox s SER 593 N 0.36 4.82 0.21 2.29 1.04 -1.26 -4.87 113.70 116.28 3kox s SER 593 Ca 0.49 1.76 -0.10 0.00 0.48 0.00 0.00 55.95 58.59 3kox s SER 593 Cb -0.23 -2.51 0.25 0.00 0.10 0.00 0.00 66.02 63.62 3kox s SER 593 CO 0.30 -1.82 1.78 1.05 0.98 0.00 0.00 173.24 175.52 3kox h GLU 594 N -0.95 0.52 -0.41 4.02 9.09 -1.99 -1.24 114.58 123.63 3kox h GLU 594 Ca -0.44 -0.03 0.02 0.00 0.05 0.00 0.00 59.36 58.96 3kox h GLU 594 Cb 1.22 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 28.18 3kox h GLU 594 CO 0.53 0.35 0.27 -0.44 0.05 0.00 0.00 179.01 179.77 3kox h ASP 595 N 0.54 0.40 0.26 3.06 3.32 -1.99 -0.78 116.42 121.23 3kox h ASP 595 Ca 0.30 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 57.00 3kox h ASP 595 Cb 0.27 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.74 3kox h ASP 595 CO -0.23 0.28 -1.69 -0.33 -1.72 0.00 0.00 179.24 175.55 3kox h GLU 596 N 0.47 0.37 -0.94 3.56 4.39 -1.90 -0.43 114.58 120.10 3kox h GLU 596 Ca 0.16 -0.64 0.08 0.00 0.34 0.00 0.00 59.36 59.30 3kox h GLU 596 Cb 0.07 0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 3kox h GLU 596 CO -0.04 1.28 0.59 0.82 -1.16 0.00 0.00 179.01 180.50 3kox h ILE 597 N 0.10 1.03 0.02 3.13 2.04 -0.93 0.12 117.51 123.01 3kox h ILE 597 Ca -0.32 -0.36 -0.23 0.00 1.00 0.00 0.00 64.86 64.96 3kox h ILE 597 Cb 2.09 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3kox h ILE 597 CO 0.18 0.19 -0.98 -0.09 0.00 0.00 0.00 178.15 177.46 3kox h ARG 598 N 1.05 0.36 -0.48 2.37 2.43 -1.14 -2.47 114.38 116.50 3kox h ARG 598 Ca 0.42 -0.42 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3kox h ARG 598 Cb 0.24 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3kox h ARG 598 CO -0.19 1.10 0.09 0.93 -1.51 0.00 0.00 179.97 180.39 3kox h GLU 599 N 0.19 0.78 -0.35 0.20 5.08 -0.83 0.23 114.58 119.88 3kox h GLU 599 Ca -0.08 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3kox h GLU 599 Cb 1.62 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.73 3kox h GLU 599 CO 0.17 0.78 0.08 0.22 -1.00 0.00 0.00 179.01 179.25 3kox h ASP 600 N 0.66 0.03 0.26 1.42 -0.00 -0.94 -0.81 116.42 117.04 3kox h ASP 600 Ca 0.15 0.05 -0.24 0.00 -0.00 0.00 0.00 57.03 57.00 3kox h ASP 600 Cb 0.36 0.07 0.01 0.00 -0.00 0.00 0.00 39.33 39.77 3kox h ASP 600 CO 0.01 0.05 -0.97 0.40 -0.00 0.00 0.00 179.24 178.73 3kox h ILE 601 N 0.20 1.37 -0.25 2.25 2.04 -1.40 -1.37 117.51 120.35 3kox h ILE 601 Ca 0.17 -2.41 0.04 0.00 1.00 0.00 0.00 64.86 63.66 3kox h ILE 601 Cb 0.18 2.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 3kox h ILE 601 CO -0.21 0.72 0.01 -0.33 0.00 0.00 0.00 178.15 178.35 3kox h GLU 602 N 0.27 0.09 -0.25 2.37 5.08 -0.67 -3.04 114.58 118.43 3kox h GLU 602 Ca -0.09 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3kox h GLU 602 Cb 1.61 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 3kox h GLU 602 CO 0.17 0.06 -0.20 0.87 -1.00 0.00 0.00 179.01 178.92 3kox h LYS 603 N 0.10 0.58 -4.80 2.33 1.57 -1.15 -3.40 116.57 111.79 3kox h LYS 603 Ca 0.12 -0.28 -0.67 0.00 -1.87 0.00 0.00 60.65 57.95 3kox h LYS 603 Cb 0.15 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.08 3kox h LYS 603 CO -0.19 0.87 -0.77 0.99 -0.57 0.00 0.00 179.45 179.77 3kox s THR 604 N -4.43 2.20 0.63 -0.16 2.01 -0.52 -5.11 115.64 110.26 3kox s THR 604 Ca -0.13 -1.86 -0.18 0.00 0.31 0.00 0.00 61.69 59.83 3kox s THR 604 Cb 0.08 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3kox s THR 604 CO 0.80 -0.21 1.06 -2.65 -0.69 0.00 0.00 174.62 172.92 3kox n PRO 605 N 4.38 0.90 -3.65 4.92 -0.02 -1.17 -4.19 135.00 136.16 3kox n PRO 605 Ca -0.08 0.35 -0.26 0.00 -2.02 0.00 0.00 63.50 61.49 3kox n PRO 605 Cb 0.42 -2.28 -0.17 0.00 -0.02 0.00 0.00 33.50 31.45 3kox n PRO 605 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kox s LEU 606 N -2.88 0.56 0.06 2.45 2.96 -1.26 -5.05 118.68 115.52 3kox s LEU 606 Ca 0.78 -0.64 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 3kox s LEU 606 Cb -0.39 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 3kox s LEU 606 CO 0.45 -0.33 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.27 3kox s LYS 607 N 2.06 2.20 -0.01 1.98 2.20 -1.26 -0.42 119.74 126.49 3kox s LYS 607 Ca 0.01 -0.95 -0.14 0.00 -0.36 0.00 0.00 55.97 54.53 3kox s LYS 607 Cb -0.16 -2.31 0.02 0.00 -1.51 0.00 0.00 37.83 33.87 3kox s LYS 607 CO -0.09 0.54 0.30 0.42 -0.36 0.00 0.00 175.35 176.17 3kox s ILE 608 N -1.07 0.06 0.02 5.43 1.09 -0.26 -1.16 121.20 125.31 3kox s ILE 608 Ca 0.18 -0.49 0.09 0.00 -1.10 0.00 0.00 60.65 59.32 3kox s ILE 608 Cb -0.11 -0.62 -0.02 0.00 -1.06 0.00 0.00 42.46 40.65 3kox s ILE 608 CO 0.09 -0.27 -0.26 0.68 -0.10 0.00 0.00 174.94 175.08 3kox s VAL 609 N -1.38 2.09 -0.14 2.92 -7.23 -0.76 -0.33 120.40 115.57 3kox s VAL 609 Ca -0.13 -1.26 -0.07 0.00 -1.81 0.00 0.00 61.98 58.70 3kox s VAL 609 Cb -0.05 -1.76 0.05 0.00 0.56 0.00 0.00 36.38 35.18 3kox s VAL 609 CO 0.04 0.46 0.32 0.00 -0.31 0.00 0.00 175.10 175.61 3kox s ALA 610 N -0.72 -0.79 0.11 1.32 0.00 -0.37 -0.07 121.76 121.24 3kox s ALA 610 Ca 0.11 1.24 -0.21 0.00 0.00 0.00 0.00 51.96 53.10 3kox s ALA 610 Cb -0.10 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 22.31 3kox s ALA 610 CO 0.01 -0.23 0.53 0.00 0.00 0.00 0.00 175.76 176.07 3kox s ALA 611 N 1.30 -1.37 -0.26 0.00 0.00 -1.10 0.10 121.76 120.42 3kox s ALA 611 Ca -0.09 0.42 -0.20 0.00 0.00 0.00 0.00 51.96 52.09 3kox s ALA 611 Cb -0.09 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 3kox s ALA 611 CO -0.10 -0.65 0.62 0.99 0.00 0.00 0.00 175.76 176.61 3kox s THR 612 N -3.32 4.98 0.30 0.00 2.01 -0.26 -1.79 115.64 117.56 3kox s THR 612 Ca -0.01 1.08 -0.02 0.00 0.31 0.00 0.00 61.69 63.05 3kox s THR 612 Cb -0.00 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3kox s THR 612 CO -0.09 0.01 0.53 -0.69 -0.69 0.00 0.00 174.62 173.69 3kox s VAL 613 N 2.51 5.08 0.00 3.82 1.01 -0.90 -1.26 120.40 130.66 3kox s VAL 613 Ca 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3kox s VAL 613 Cb -0.15 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3kox s VAL 613 CO 0.09 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.41 3kox n GLY 614 N -1.20 0.56 2.77 4.51 0.00 -0.66 -3.90 105.19 107.26 3kox n GLY 614 Ca -0.03 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 3kox n GLY 614 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kox n GLU 615 N 8.21 3.95 -3.80 1.61 1.02 -1.26 -3.70 120.64 126.67 3kox n GLU 615 Ca 0.00 -4.74 -0.27 0.00 -0.02 0.00 0.00 57.16 52.12 3kox n GLU 615 Cb 0.00 -2.34 -0.17 0.00 -0.02 0.00 0.00 31.44 28.91 3kox n GLU 615 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kox s ASP 616 N -2.49 2.71 -0.08 1.62 3.68 -1.25 -4.98 116.67 115.88 3kox s ASP 616 Ca 0.43 -0.67 0.14 0.00 2.13 0.00 0.00 52.55 54.57 3kox s ASP 616 Cb 0.21 -0.70 0.55 0.00 -1.45 0.00 0.00 42.92 41.53 3kox s ASP 616 CO -0.09 -0.25 1.42 -0.62 0.13 0.00 0.00 175.17 175.76 3kox n GLU 617 N 4.99 3.05 -2.72 4.34 -0.58 -1.26 -2.65 120.64 125.82 3kox n GLU 617 Ca -0.10 -2.16 -0.42 0.00 -0.42 0.00 0.00 57.16 54.06 3kox n GLU 617 Cb 0.48 -1.73 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 3kox n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3kox s HIS 618 N -1.76 2.77 -0.09 -0.32 3.76 -1.26 -4.87 115.29 113.52 3kox s HIS 618 Ca 0.39 -1.03 0.14 0.00 -0.15 0.00 0.00 55.06 54.41 3kox s HIS 618 Cb 0.25 -4.52 -0.12 0.00 1.11 0.00 0.00 32.58 29.30 3kox s HIS 618 CO 0.19 -1.75 0.99 0.66 -0.85 0.00 0.00 174.74 173.97 3kox h SER 619 N 9.41 0.00 -0.46 1.40 4.64 -1.98 -3.40 113.55 123.16 3kox h SER 619 Ca 0.15 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.56 3kox h SER 619 Cb 1.02 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.02 3kox h SER 619 CO 1.29 0.69 -0.11 0.58 -0.87 0.00 0.00 176.83 178.40 3kox h VAL 620 N 0.00 0.54 -0.08 0.95 2.07 -1.99 -2.87 116.25 114.87 3kox h VAL 620 Ca -0.13 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3kox h VAL 620 Cb 1.64 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 3kox h VAL 620 CO 0.07 0.00 -0.39 1.23 0.02 0.00 0.00 177.57 178.49 3kox h GLY 621 N 0.00 -0.66 1.01 2.17 0.00 -2.00 0.34 103.07 103.93 3kox h GLY 621 Ca 0.22 0.48 -0.03 0.00 0.00 0.00 0.00 47.33 48.00 3kox h GLY 621 CO -0.47 -0.23 0.33 -2.00 0.00 0.00 0.00 176.54 174.17 3kox h LEU 622 N -0.50 0.92 -1.35 3.11 5.85 -1.83 -2.19 115.31 119.33 3kox h LEU 622 Ca 0.07 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 3kox h LEU 622 Cb 0.62 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3kox h LEU 622 CO -0.36 0.80 -0.25 0.03 -0.34 0.00 0.00 178.44 178.33 3kox h ARG 623 N 0.98 0.12 -0.75 1.25 3.08 -1.19 -2.47 114.38 115.39 3kox h ARG 623 Ca 0.24 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.29 3kox h ARG 623 Cb 0.13 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3kox h ARG 623 CO -0.03 0.36 0.49 0.93 -1.07 0.00 0.00 179.97 180.66 3kox h GLU 624 N 0.11 0.87 -0.05 0.04 4.39 0.33 0.17 114.58 120.43 3kox h GLU 624 Ca 0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3kox h GLU 624 Cb 0.50 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3kox h GLU 624 CO 0.04 0.58 0.00 1.33 -1.16 0.00 0.00 179.01 179.79 3kox n VAL 625 N -4.46 0.05 -0.09 3.13 0.24 -1.03 -4.08 118.33 112.09 3kox n VAL 625 Ca 0.10 -0.32 -0.18 0.00 -2.04 0.00 0.00 64.34 61.89 3kox n VAL 625 Cb 0.13 0.67 -0.06 0.00 -1.47 0.00 0.00 33.84 33.11 3kox n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3kox n ILE 626 N 0.44 1.28 -1.82 1.34 5.41 -0.76 -0.75 119.36 124.50 3kox n ILE 626 Ca 0.18 -0.15 -0.41 0.00 1.00 0.00 0.00 62.75 63.37 3kox n ILE 626 Cb 0.40 -1.92 -0.01 0.00 -0.71 0.00 0.00 39.64 37.40 3kox n ILE 626 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3kox s ASP 627 N -6.64 6.40 0.50 4.38 1.01 0.51 -2.17 116.67 120.65 3kox s ASP 627 Ca -0.28 2.96 0.25 0.00 0.71 0.00 0.00 52.55 56.20 3kox s ASP 627 Cb 0.09 -2.65 1.33 0.00 1.01 0.00 0.00 42.92 42.70 3kox s ASP 627 CO 0.37 -0.86 1.90 -0.29 0.21 0.00 0.00 175.17 176.50 3kox h ILE 628 N 3.19 0.64 -0.53 0.77 2.10 -1.90 -0.29 117.51 121.49 3kox h ILE 628 Ca -0.49 -0.05 0.06 0.00 1.08 0.00 0.00 64.86 65.46 3kox h ILE 628 Cb 1.23 0.49 -0.09 0.00 -1.09 0.00 0.00 36.82 37.35 3kox h ILE 628 CO 0.72 0.03 -0.55 0.50 -1.08 0.00 0.00 178.15 177.76 3kox h LYS 629 N 0.14 -0.30 -1.16 2.19 1.63 -1.92 -1.39 116.57 115.76 3kox h LYS 629 Ca 0.40 0.02 -0.65 0.00 -0.85 0.00 0.00 60.65 59.57 3kox h LYS 629 Cb 1.36 0.07 -0.34 0.00 -0.60 0.00 0.00 32.23 32.72 3kox h LYS 629 CO -0.06 -0.20 0.24 0.72 -3.45 0.00 0.00 179.45 176.69 3kox n HIS 630 N -5.36 3.08 -2.31 1.91 8.25 -1.25 -4.91 115.22 114.62 3kox n HIS 630 Ca -0.02 -2.69 -0.05 0.00 -0.26 0.00 0.00 57.72 54.70 3kox n HIS 630 Cb 0.33 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.51 3kox n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kox n GLY 631 N -0.74 0.29 3.75 -1.41 0.00 -0.52 -4.61 105.19 101.94 3kox n GLY 631 Ca 0.53 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3kox n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kox s GLY 632 N -2.86 1.57 0.61 -0.02 0.00 -0.12 -2.51 107.32 103.99 3kox s GLY 632 Ca 0.05 -0.49 0.41 0.00 0.00 0.00 0.00 44.72 44.68 3kox s GLY 632 CO 0.06 0.09 2.25 0.16 0.00 0.00 0.00 173.10 175.66 3kox h ILE 633 N -1.65 0.00 -0.79 0.90 3.07 -0.71 -1.45 117.51 116.88 3kox h ILE 633 Ca -0.52 -0.05 0.18 0.00 1.55 0.00 0.00 64.86 66.02 3kox h ILE 633 Cb 1.33 0.99 -0.05 0.00 -0.27 0.00 0.00 36.82 38.82 3kox h ILE 633 CO 0.60 0.00 0.54 -0.33 -1.05 0.00 0.00 178.15 177.91 3kox h GLU 634 N 0.00 0.30 -0.13 0.16 5.08 -1.67 -1.25 114.58 117.07 3kox h GLU 634 Ca 0.00 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3kox h GLU 634 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3kox h GLU 634 CO 0.00 0.20 0.18 -0.22 -1.00 0.00 0.00 179.01 178.17 3kox h LYS 635 N 0.31 0.00 -0.38 2.33 3.64 -1.50 -1.26 116.57 119.70 3kox h LYS 635 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3kox h LYS 635 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3kox h LYS 635 CO -0.11 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.73 3kox n TYR 636 N -3.66 0.97 -1.33 1.91 4.01 -0.48 -4.99 117.16 113.59 3kox n TYR 636 Ca 0.00 -0.70 -0.11 0.00 -0.16 0.00 0.00 57.90 56.93 3kox n TYR 636 Cb 0.28 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 3kox n TYR 636 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kox n GLY 637 N 0.20 1.22 3.75 2.72 0.00 -0.48 -4.75 105.19 107.85 3kox n GLY 637 Ca 0.20 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3kox n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kox s VAL 638 N -2.32 2.70 -0.13 1.61 1.01 -1.19 -4.76 120.40 117.32 3kox s VAL 638 Ca 0.00 0.61 -0.24 0.00 0.00 0.00 0.00 61.98 62.34 3kox s VAL 638 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 3kox s VAL 638 CO 0.00 0.11 0.77 -0.70 0.00 0.00 0.00 175.10 175.28 3kox s GLU 639 N -0.66 4.35 -0.12 2.72 2.12 0.44 -4.51 118.70 123.04 3kox s GLU 639 Ca 0.57 0.95 0.02 0.00 0.36 0.00 0.00 54.97 56.87 3kox s GLU 639 Cb -0.41 -3.53 -0.00 0.00 0.26 0.00 0.00 34.13 30.45 3kox s GLU 639 CO 0.45 -0.18 -0.19 0.08 -0.54 0.00 0.00 175.26 174.88 3kox s VAL 640 N 1.63 2.41 -0.36 3.70 1.01 -1.26 -1.10 120.40 126.43 3kox s VAL 640 Ca 0.38 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3kox s VAL 640 Cb -0.17 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.27 3kox s VAL 640 CO 0.15 0.54 0.18 -1.00 0.00 0.00 0.00 175.10 174.97 3kox s HIS 641 N 0.49 3.24 -0.23 5.22 3.76 0.56 -4.96 115.29 123.37 3kox s HIS 641 Ca -0.13 -0.98 -0.07 0.00 -0.15 0.00 0.00 55.06 53.72 3kox s HIS 641 Cb -0.17 -2.40 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 3kox s HIS 641 CO 0.05 -0.64 0.07 -0.47 -0.85 0.00 0.00 174.74 172.90 3kox s TYR 642 N 1.54 3.12 -0.88 1.40 5.04 -1.26 -1.24 117.35 125.07 3kox s TYR 642 Ca 0.02 -0.27 0.21 0.00 -2.44 0.00 0.00 57.07 54.59 3kox s TYR 642 Cb -0.19 -2.20 -0.21 0.00 0.35 0.00 0.00 41.96 39.71 3kox s TYR 642 CO 0.06 -0.22 0.87 1.28 -1.34 0.00 0.00 175.55 176.20 3kox n LEU 643 N 4.56 0.86 0.00 6.97 4.77 0.11 -4.97 117.00 129.30 3kox n LEU 643 Ca -0.16 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3kox n LEU 643 Cb 0.52 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3kox n LEU 643 CO 0.32 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3kox n GLY 644 N 1.47 -0.74 3.90 -0.72 0.00 -1.26 -4.96 105.19 102.88 3kox n GLY 644 Ca 0.03 -2.00 -0.20 0.00 0.00 0.00 0.00 46.02 43.85 3kox n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kox s THR 645 N 0.00 2.77 -1.53 2.61 -4.23 -1.26 -1.10 115.64 112.91 3kox s THR 645 Ca 0.00 -1.29 -0.11 0.00 -1.18 0.00 0.00 61.69 59.11 3kox s THR 645 Cb 0.00 -3.01 0.08 0.00 1.34 0.00 0.00 72.50 70.90 3kox s THR 645 CO 0.00 -0.01 0.77 -1.20 -0.54 0.00 0.00 174.62 173.64 3kox n SER 646 N -1.58 -2.97 -4.60 3.99 7.64 -0.39 -4.89 113.62 110.82 3kox n SER 646 Ca 0.04 -0.90 -0.40 0.00 1.01 0.00 0.00 58.87 58.62 3kox n SER 646 Cb 0.61 -3.41 -0.08 0.00 -1.01 0.00 0.00 64.21 60.32 3kox n SER 646 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kox s VAL 647 N -3.48 5.06 0.41 0.44 1.01 -0.90 -4.67 120.40 118.27 3kox s VAL 647 Ca 0.46 0.71 -0.27 0.00 0.00 0.00 0.00 61.98 62.89 3kox s VAL 647 Cb -0.24 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 3kox s VAL 647 CO 0.87 0.02 1.43 -2.84 0.00 0.00 0.00 175.10 174.57 3kox s PRO 648 N 2.31 3.94 0.22 2.72 0.02 -1.26 -1.66 135.00 141.29 3kox s PRO 648 Ca 0.20 2.44 -0.12 0.00 0.02 0.00 0.00 61.00 63.53 3kox s PRO 648 Cb -0.16 -2.82 0.29 0.00 0.02 0.00 0.00 34.50 31.83 3kox s PRO 648 CO 0.10 -0.62 1.38 0.28 -0.33 0.00 0.00 177.00 177.81 3kox n VAL 649 N 0.18 -0.43 -0.01 3.83 0.31 -1.26 -1.49 118.33 119.46 3kox n VAL 649 Ca 0.03 2.07 -0.07 0.00 -0.01 0.00 0.00 64.34 66.36 3kox n VAL 649 Cb 0.41 -2.78 0.11 0.00 -0.91 0.00 0.00 33.84 30.67 3kox n VAL 649 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3kox h GLU 650 N 0.00 0.55 -0.72 5.55 4.81 -1.94 -1.90 114.58 120.94 3kox h GLU 650 Ca 0.36 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3kox h GLU 650 Cb 0.58 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3kox h GLU 650 CO -0.90 0.86 0.30 -0.22 -0.73 0.00 0.00 179.01 178.32 3kox h LYS 651 N 0.46 1.06 -0.06 1.92 3.64 -1.62 -0.16 116.57 121.80 3kox h LYS 651 Ca 0.04 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.11 3kox h LYS 651 Cb 0.89 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3kox h LYS 651 CO 0.08 0.85 -0.56 1.25 -2.27 0.00 0.00 179.45 178.79 3kox h LEU 652 N 1.04 0.21 -0.23 5.20 5.85 -1.16 -1.95 115.31 124.26 3kox h LEU 652 Ca 0.24 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3kox h LEU 652 Cb 0.18 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3kox h LEU 652 CO -0.02 0.73 -0.04 0.58 -0.34 0.00 0.00 178.44 179.34 3kox h VAL 653 N 0.14 1.28 -0.77 1.05 2.07 -0.77 -2.46 116.25 116.79 3kox h VAL 653 Ca -0.00 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 3kox h VAL 653 Cb 1.04 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 3kox h VAL 653 CO 0.08 0.32 0.34 0.44 0.02 0.00 0.00 177.57 178.77 3kox h ASP 654 N 0.19 1.04 0.09 0.57 3.32 -0.86 -2.28 116.42 118.48 3kox h ASP 654 Ca 0.06 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 3kox h ASP 654 Cb 0.49 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3kox h ASP 654 CO 0.02 0.90 -0.44 0.00 -1.72 0.00 0.00 179.24 178.00 3kox h ALA 655 N 1.18 0.91 -0.77 3.45 0.00 -1.43 0.30 119.26 122.90 3kox h ALA 655 Ca 0.26 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3kox h ALA 655 Cb 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3kox h ALA 655 CO -0.03 0.64 0.51 0.00 0.00 0.00 0.00 179.25 180.37 3kox h ALA 656 N 1.18 1.64 0.00 0.00 0.00 -0.92 -1.88 119.26 119.28 3kox h ALA 656 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kox h ALA 656 Cb 0.92 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3kox h ALA 656 CO 0.08 0.25 -0.00 0.82 0.00 0.00 0.00 179.25 180.39 3kox h ILE 657 N 0.84 1.67 -1.08 0.00 2.04 -1.16 -1.58 117.51 118.24 3kox h ILE 657 Ca 0.33 -2.01 0.30 0.00 1.00 0.00 0.00 64.86 64.48 3kox h ILE 657 Cb 0.22 3.03 -0.11 0.00 -0.74 0.00 0.00 36.82 39.21 3kox h ILE 657 CO -0.11 0.52 0.67 -0.33 0.00 0.00 0.00 178.15 178.90 3kox h GLU 658 N -0.86 0.34 -0.45 2.37 5.08 -0.18 0.13 114.58 121.01 3kox h GLU 658 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kox h GLU 658 Cb 0.85 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3kox h GLU 658 CO 0.00 0.23 0.00 1.28 -1.00 0.00 0.00 179.01 179.52 3kox n LEU 659 N -4.75 3.22 -3.94 1.33 4.77 -0.72 -5.00 117.00 111.90 3kox n LEU 659 Ca 0.29 -1.89 -0.31 0.00 -0.03 0.00 0.00 56.01 54.07 3kox n LEU 659 Cb 0.98 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 3kox n LEU 659 CO 0.20 0.79 -0.19 2.29 -1.33 0.00 0.00 177.39 179.15 3kox n LYS 660 N 0.95 -0.60 -1.98 3.23 0.00 0.46 -4.93 118.16 115.30 3kox n LYS 660 Ca 0.16 -0.05 -0.36 0.00 -0.00 0.00 0.00 58.31 58.05 3kox n LYS 660 Cb 0.49 -1.84 0.04 0.00 -0.00 0.00 0.00 35.03 33.72 3kox n LYS 660 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kox s ALA 661 N -3.96 2.53 -0.73 0.58 0.00 -0.60 -4.94 121.76 114.63 3kox s ALA 661 Ca 0.25 1.04 0.24 0.00 0.00 0.00 0.00 51.96 53.49 3kox s ALA 661 Cb -0.14 -3.47 0.38 0.00 0.00 0.00 0.00 23.12 19.90 3kox s ALA 661 CO 0.71 -1.22 1.34 -0.25 0.00 0.00 0.00 175.76 176.34 3kox n ASP 662 N -1.62 0.63 -3.72 0.00 8.00 -0.31 -4.91 116.55 114.62 3kox n ASP 662 Ca 0.14 0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.56 3kox n ASP 662 Cb 0.49 0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.74 3kox n ASP 662 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kox s ALA 663 N -3.13 -0.74 -0.09 2.24 0.00 -1.20 -2.01 121.76 116.84 3kox s ALA 663 Ca 0.07 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.03 3kox s ALA 663 Cb 0.14 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 23.71 3kox s ALA 663 CO 0.72 -0.50 -0.23 0.42 0.00 0.00 0.00 175.76 176.17 3kox s ILE 664 N -3.06 2.18 -0.12 0.00 1.01 -0.28 -1.84 121.20 119.08 3kox s ILE 664 Ca -0.01 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.66 3kox s ILE 664 Cb 0.01 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.67 3kox s ILE 664 CO -0.07 0.56 -0.14 -0.76 0.00 0.00 0.00 174.94 174.53 3kox s LEU 665 N 0.23 1.66 0.01 2.97 1.43 0.89 -0.77 118.68 125.11 3kox s LEU 665 Ca -0.15 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 3kox s LEU 665 Cb -0.17 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 3kox s LEU 665 CO 0.08 -0.02 -0.10 0.00 0.23 0.00 0.00 176.35 176.54 3kox s ALA 666 N 1.20 0.82 0.17 4.21 0.00 -0.81 -2.72 121.76 124.64 3kox s ALA 666 Ca -0.02 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.47 3kox s ALA 666 Cb -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3kox s ALA 666 CO -0.05 0.17 0.17 0.45 0.00 0.00 0.00 175.76 176.50 3kox s SER 667 N -0.54 5.65 -0.34 0.00 0.15 -0.74 -2.14 113.70 115.74 3kox s SER 667 Ca 0.02 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.64 3kox s SER 667 Cb -0.05 -1.51 0.19 0.00 -1.71 0.00 0.00 66.02 62.94 3kox s SER 667 CO 0.00 0.05 0.61 0.28 1.20 0.00 0.00 173.24 175.39 3kox s THR 668 N -1.79 -0.99 -0.27 6.45 -1.32 -0.62 -2.12 115.64 114.98 3kox s THR 668 Ca 0.32 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.65 3kox s THR 668 Cb -0.10 -0.54 -0.12 0.00 -1.51 0.00 0.00 72.50 70.23 3kox s THR 668 CO 0.24 0.00 -0.32 -0.38 -2.21 0.00 0.00 174.62 171.95 3kox n ILE 669 N 4.96 1.53 -1.89 5.08 2.08 -1.26 -4.15 119.36 125.71 3kox n ILE 669 Ca 0.08 -0.34 -0.41 0.00 0.56 0.00 0.00 62.75 62.63 3kox n ILE 669 Cb 0.55 -1.91 -0.02 0.00 -0.75 0.00 0.00 39.64 37.51 3kox n ILE 669 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3kox s ILE 670 N -2.52 2.36 0.00 1.39 1.01 -1.26 -4.62 121.20 117.57 3kox s ILE 670 Ca -0.38 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3kox s ILE 670 Cb 0.14 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.42 3kox s ILE 670 CO 0.49 0.04 0.78 -1.54 0.00 0.00 0.00 174.94 174.71 3kox n SER 671 N 2.48 1.11 -4.65 3.58 3.41 -1.26 -3.99 113.62 114.30 3kox n SER 671 Ca 0.08 -1.55 -0.50 0.00 -0.26 0.00 0.00 58.87 56.64 3kox n SER 671 Cb 0.39 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 3kox n SER 671 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kox n HIS 672 N -0.28 2.17 -3.39 7.33 -0.00 -1.26 -1.73 115.22 118.06 3kox n HIS 672 Ca 0.00 0.10 -0.19 0.00 -0.00 0.00 0.00 57.72 57.63 3kox n HIS 672 Cb 0.36 -2.62 0.07 0.00 -0.00 0.00 0.00 29.99 27.80 3kox n HIS 672 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3kox n ASP 673 N 7.28 -5.36 -1.25 0.26 8.00 -1.26 -2.83 116.55 121.39 3kox n ASP 673 Ca 0.26 -0.45 -0.11 0.00 0.71 0.00 0.00 54.79 55.20 3kox n ASP 673 Cb 0.27 -4.24 -0.05 0.00 -0.02 0.00 0.00 41.12 37.08 3kox n ASP 673 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kox n ASP 674 N -2.26 -3.26 -0.25 -2.24 8.00 -0.71 -4.83 116.55 111.01 3kox n ASP 674 Ca -0.01 0.28 0.30 0.00 0.71 0.00 0.00 54.79 56.07 3kox n ASP 674 Cb 0.56 -3.00 0.70 0.00 -0.02 0.00 0.00 41.12 39.36 3kox n ASP 674 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kox h ILE 675 N 0.00 0.50 -0.54 0.53 6.09 -1.67 0.51 117.51 122.93 3kox h ILE 675 Ca -0.23 -0.02 0.05 0.00 -1.37 0.00 0.00 64.86 63.28 3kox h ILE 675 Cb 0.78 0.43 -0.05 0.00 0.47 0.00 0.00 36.82 38.46 3kox h ILE 675 CO 0.34 0.01 0.28 1.12 -3.07 0.00 0.00 178.15 176.83 3kox h HIS 676 N 0.06 0.52 0.01 2.19 2.07 -1.83 -0.41 115.15 117.77 3kox h HIS 676 Ca 0.50 0.02 -0.22 0.00 -2.85 0.00 0.00 60.37 57.82 3kox h HIS 676 Cb 1.87 -0.15 -0.03 0.00 2.57 0.00 0.00 27.41 31.66 3kox h HIS 676 CO -0.00 0.25 -1.06 1.88 -3.07 0.00 0.00 177.93 175.93 3kox h TYR 677 N 0.55 0.04 -0.66 6.12 0.05 -0.47 -3.11 116.97 119.49 3kox h TYR 677 Ca 0.24 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.95 3kox h TYR 677 Cb 0.14 -0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 3kox h TYR 677 CO -0.10 1.02 0.25 0.87 -1.05 0.00 0.00 178.16 179.16 3kox h LYS 678 N 0.01 1.00 0.00 4.88 1.57 -0.81 -2.68 116.57 120.54 3kox h LYS 678 Ca -0.04 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 3kox h LYS 678 Cb 1.80 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.94 3kox h LYS 678 CO 0.13 0.85 -0.41 -0.91 -0.57 0.00 0.00 179.45 178.54 3kox h ASN 679 N 0.94 0.00 -0.28 0.86 2.35 -1.13 -2.41 115.58 115.91 3kox h ASN 679 Ca 0.22 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3kox h ASN 679 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3kox h ASN 679 CO -0.01 0.41 0.17 0.24 -1.65 0.00 0.00 177.43 176.59 3kox h MET 680 N 0.00 0.38 -0.05 0.81 2.86 -1.42 -2.80 114.93 114.70 3kox h MET 680 Ca -0.00 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3kox h MET 680 Cb 0.81 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 3kox h MET 680 CO 0.05 0.29 -0.06 -0.22 1.06 0.00 0.00 176.91 178.03 3kox h LYS 681 N 0.36 -0.08 0.00 1.72 1.63 -1.20 -2.10 116.57 116.90 3kox h LYS 681 Ca 0.10 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 3kox h LYS 681 Cb 0.00 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3kox h LYS 681 CO -0.02 -0.05 -0.07 0.00 -3.45 0.00 0.00 179.45 175.85 3kox h ARG 682 N -0.08 0.00 0.13 1.90 3.08 -1.44 0.18 114.38 118.15 3kox h ARG 682 Ca 0.04 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.80 3kox h ARG 682 Cb 0.14 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.22 3kox h ARG 682 CO -0.10 0.07 -1.25 0.82 -1.07 0.00 0.00 179.97 178.44 3kox h ILE 683 N 0.00 1.32 0.05 2.04 2.04 -1.19 -2.25 117.51 119.52 3kox h ILE 683 Ca -0.00 -2.58 -0.00 0.00 1.00 0.00 0.00 64.86 63.28 3kox h ILE 683 Cb 0.37 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 3kox h ILE 683 CO 0.01 0.78 -0.02 -0.74 0.00 0.00 0.00 178.15 178.17 3kox h HIS 684 N 0.23 -0.06 -0.72 1.37 2.76 -0.70 -2.58 115.15 115.44 3kox h HIS 684 Ca -0.18 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.10 3kox h HIS 684 Cb 1.93 0.02 -0.08 0.00 1.55 0.00 0.00 27.41 30.83 3kox h HIS 684 CO 0.10 0.30 0.33 0.93 -1.30 0.00 0.00 177.93 178.30 3kox h GLU 685 N -0.42 0.53 0.00 5.26 5.08 -0.77 -0.98 114.58 123.27 3kox h GLU 685 Ca -0.01 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3kox h GLU 685 Cb 0.38 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3kox h GLU 685 CO 0.01 0.35 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.04 3kox h LEU 686 N 0.54 0.00 -0.20 1.33 3.38 -1.43 -1.86 115.31 117.06 3kox h LEU 686 Ca 0.37 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.14 3kox h LEU 686 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3kox h LEU 686 CO -0.32 0.26 -0.93 0.00 0.09 0.00 0.00 178.44 177.54 3kox h ALA 687 N 1.74 0.46 0.03 1.53 0.00 -0.79 -0.78 119.26 121.45 3kox h ALA 687 Ca -0.00 -0.77 -0.26 0.00 0.00 0.00 0.00 54.91 53.88 3kox h ALA 687 Cb 0.48 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.21 3kox h ALA 687 CO 0.03 0.97 -1.06 0.28 0.00 0.00 0.00 179.25 179.47 3kox h VAL 688 N 0.08 1.31 -0.08 0.00 2.07 -1.22 -0.93 116.25 117.48 3kox h VAL 688 Ca -0.05 -2.35 -0.23 0.00 0.82 0.00 0.00 66.70 64.89 3kox h VAL 688 Cb 1.59 2.46 0.01 0.00 -1.52 0.00 0.00 31.29 33.83 3kox h VAL 688 CO 0.14 0.72 -0.85 -0.08 0.02 0.00 0.00 177.57 177.52 3kox h GLU 689 N 0.33 0.65 -0.00 1.57 4.81 -1.36 -3.03 114.58 117.54 3kox h GLU 689 Ca -0.13 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 3kox h GLU 689 Cb 1.72 0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.24 3kox h GLU 689 CO 0.20 1.20 -0.04 1.63 -0.73 0.00 0.00 179.01 181.27 3kox n LYS 690 N -3.87 0.25 -2.07 1.92 4.76 -0.30 -4.96 118.16 113.89 3kox n LYS 690 Ca -0.08 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3kox n LYS 690 Cb 0.78 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 3kox n LYS 690 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kox n GLY 691 N 1.39 0.65 0.00 0.72 0.00 -1.03 -5.00 105.19 101.92 3kox n GLY 691 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3kox n GLY 691 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kox n ILE 692 N -1.50 0.00 -0.20 -0.61 -5.35 -0.41 -4.98 119.36 106.31 3kox n ILE 692 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.46 3kox n ILE 692 Cb 0.47 1.29 0.08 0.00 -1.74 0.00 0.00 39.64 39.74 3kox n ILE 692 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3kox h ARG 693 N 0.00 0.53 0.00 6.28 9.65 -1.72 -0.27 114.38 128.84 3kox h ARG 693 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3kox h ARG 693 Cb 0.83 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 3kox h ARG 693 CO 0.00 0.35 -0.09 -0.40 2.80 0.00 0.00 179.97 182.63 3kox n ASP 694 N -4.88 0.69 -1.93 -3.80 5.75 -1.26 -3.12 116.55 108.00 3kox n ASP 694 Ca 0.07 0.49 -0.11 0.00 -0.01 0.00 0.00 54.79 55.23 3kox n ASP 694 Cb 0.19 -0.61 0.22 0.00 -1.03 0.00 0.00 41.12 39.88 3kox n ASP 694 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kox n LYS 695 N -2.13 2.86 -3.64 0.11 5.02 -0.14 -4.93 118.16 115.31 3kox n LYS 695 Ca 0.05 -2.62 -0.13 0.00 -2.02 0.00 0.00 58.31 53.60 3kox n LYS 695 Cb 0.42 -2.06 -0.07 0.00 -0.02 0.00 0.00 35.03 33.30 3kox n LYS 695 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3kox s ILE 696 N -2.71 -0.00 0.09 -0.18 2.07 -1.06 -4.93 121.20 114.48 3kox s ILE 696 Ca 0.48 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.46 3kox s ILE 696 Cb 0.39 -0.98 -0.06 0.00 0.13 0.00 0.00 42.46 41.93 3kox s ILE 696 CO 0.11 0.00 0.79 -0.04 -1.91 0.00 0.00 174.94 173.89 3kox s MET 697 N 0.57 4.55 -0.10 3.50 -1.94 -0.85 -4.90 119.30 120.12 3kox s MET 697 Ca -0.02 1.14 0.03 0.00 -1.71 0.00 0.00 55.69 55.14 3kox s MET 697 Cb -0.05 -3.33 0.01 0.00 2.01 0.00 0.00 34.83 33.47 3kox s MET 697 CO -0.02 0.37 -0.18 0.42 -0.01 0.00 0.00 175.02 175.60 3kox s ILE 698 N -0.42 1.67 -0.02 2.53 1.01 -1.26 -1.13 121.20 123.58 3kox s ILE 698 Ca 0.39 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3kox s ILE 698 Cb -0.22 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.78 3kox s ILE 698 CO 0.25 0.47 -0.06 -0.83 0.00 0.00 0.00 174.94 174.77 3kox s GLY 699 N 0.62 0.37 -0.04 6.18 0.00 0.05 -2.45 107.32 112.05 3kox s GLY 699 Ca -0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 44.72 44.35 3kox s GLY 699 CO 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 173.10 173.09 3kox s GLY 701 N 1.32 2.41 0.00 0.00 0.00 -0.91 -1.26 107.32 108.88 3kox s GLY 701 Ca -0.05 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.10 3kox s GLY 701 CO -0.02 -1.88 0.00 0.61 0.00 0.00 0.00 173.10 171.81 3kox n GLY 702 N -0.85 2.28 0.36 0.20 0.00 -0.57 -1.58 105.19 105.03 3kox n GLY 702 Ca -0.06 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.43 3kox n GLY 702 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kox h THR 703 N 1.65 0.87 -0.43 2.61 2.02 -1.82 -2.75 112.91 115.06 3kox h THR 703 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kox h THR 703 Cb 0.00 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.31 3kox h THR 703 CO 0.00 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.05 3kox n GLN 704 N -4.63 2.37 -2.90 6.66 1.13 -1.26 -4.36 117.38 114.39 3kox n GLN 704 Ca 0.19 -2.09 -0.42 0.00 -1.94 0.00 0.00 57.00 52.75 3kox n GLN 704 Cb 0.42 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 3kox n GLN 704 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3kox s VAL 705 N -1.43 4.85 -0.19 5.09 1.01 -1.04 -5.04 120.40 123.65 3kox s VAL 705 Ca 0.39 1.57 -0.13 0.00 0.00 0.00 0.00 61.98 63.80 3kox s VAL 705 Cb 0.22 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 3kox s VAL 705 CO 0.30 -0.06 0.28 -0.89 0.00 0.00 0.00 175.10 174.73 3kox s THR 706 N 2.73 5.30 0.28 3.92 2.01 -1.26 -3.86 115.64 124.76 3kox s THR 706 Ca 0.35 0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.85 3kox s THR 706 Cb -0.15 -3.62 0.29 0.00 0.01 0.00 0.00 72.50 69.03 3kox s THR 706 CO 0.08 0.35 1.66 -0.65 -0.69 0.00 0.00 174.62 175.38 3kox h PRO 707 N 6.99 0.25 -0.59 4.92 0.11 -1.93 -2.26 132.00 139.50 3kox h PRO 707 Ca -0.39 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 3kox h PRO 707 Cb 1.16 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3kox h PRO 707 CO 0.73 0.17 -0.02 0.93 -0.21 0.00 0.00 178.00 179.60 3kox h GLU 708 N 0.26 1.05 0.00 1.05 3.07 -1.95 -2.87 114.58 115.18 3kox h GLU 708 Ca 0.53 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.95 3kox h GLU 708 Cb 1.02 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 3kox h GLU 708 CO -0.60 1.03 -0.46 0.28 -1.40 0.00 0.00 179.01 177.86 3kox h VAL 709 N 0.95 1.30 -0.11 3.13 2.07 -1.85 -2.93 116.25 118.82 3kox h VAL 709 Ca 0.16 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 3kox h VAL 709 Cb 0.58 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3kox h VAL 709 CO 0.03 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.08 3kox h ALA 710 N 1.54 0.14 0.00 1.67 0.00 -1.32 -2.93 119.26 118.35 3kox h ALA 710 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kox h ALA 710 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3kox h ALA 710 CO 0.06 -0.18 0.00 0.28 0.00 0.00 0.00 179.25 179.41 3kox n VAL 711 N -4.82 0.00 0.07 0.00 0.31 -1.10 -1.20 118.33 111.59 3kox n VAL 711 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.25 3kox n VAL 711 Cb 0.20 -0.56 -0.06 0.00 -0.91 0.00 0.00 33.84 32.51 3kox n VAL 711 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kox h LYS 712 N 0.00 0.00 0.00 5.55 1.57 -1.34 -3.34 116.57 119.01 3kox h LYS 712 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kox h LYS 712 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kox h LYS 712 CO 0.00 0.55 0.00 1.96 -0.57 0.00 0.00 179.45 181.39 3kox h GLN 713 N 0.00 0.00 0.00 3.15 1.08 -1.19 -3.46 115.11 114.69 3kox h GLN 713 Ca -0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3kox h GLN 713 Cb 1.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.05 3kox h GLN 713 CO 0.08 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.37 3kox n GLY 714 N 0.71 1.02 3.90 3.46 0.00 -1.23 -4.44 105.19 108.61 3kox n GLY 714 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3kox n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kox s VAL 715 N -2.00 4.87 0.15 1.61 -7.23 -1.25 -4.87 120.40 111.69 3kox s VAL 715 Ca 0.00 0.32 -0.06 0.00 -1.81 0.00 0.00 61.98 60.44 3kox s VAL 715 Cb 0.00 -3.86 -0.13 0.00 0.56 0.00 0.00 36.38 32.95 3kox s VAL 715 CO 0.00 -0.90 1.38 0.44 -0.31 0.00 0.00 175.10 175.72 3kox h ASP 716 N 0.15 0.65 -5.02 4.85 3.32 -1.83 -3.37 116.42 115.18 3kox h ASP 716 Ca -0.46 -0.43 -0.09 0.00 0.02 0.00 0.00 57.03 56.07 3kox h ASP 716 Cb 1.20 -0.19 -0.18 0.00 0.22 0.00 0.00 39.33 40.38 3kox h ASP 716 CO 0.62 1.20 -0.14 0.00 -1.72 0.00 0.00 179.24 179.20 3kox s ALA 717 N -3.65 -0.99 -0.04 3.45 0.00 -1.17 -4.88 121.76 114.49 3kox s ALA 717 Ca -0.07 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.32 3kox s ALA 717 Cb 0.10 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3kox s ALA 717 CO 0.86 -0.39 -0.20 0.20 0.00 0.00 0.00 175.76 176.23 3kox s GLY 718 N -1.75 1.02 -0.04 0.00 0.00 -1.26 -2.06 107.32 103.24 3kox s GLY 718 Ca -0.08 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.84 3kox s GLY 718 CO 0.00 -0.55 -0.12 -1.36 0.00 0.00 0.00 173.10 171.07 3kox s PHE 719 N -0.20 1.30 0.00 1.90 0.08 -0.39 -4.13 117.98 116.55 3kox s PHE 719 Ca 0.01 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.68 3kox s PHE 719 Cb -0.11 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.43 3kox s PHE 719 CO 0.01 -0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.38 3kox n GLY 720 N 3.37 5.47 3.70 4.36 0.00 -1.25 -1.51 105.19 119.32 3kox n GLY 720 Ca -0.19 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 43.85 3kox n GLY 720 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kox n ARG 721 N 0.00 2.27 -0.78 1.61 1.74 -1.26 -2.01 116.66 118.24 3kox n ARG 721 Ca 0.00 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3kox n ARG 721 Cb 0.00 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 28.93 3kox n ARG 721 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kox n GLY 722 N 2.24 0.87 3.65 -0.13 0.00 -1.26 -5.02 105.19 105.54 3kox n GLY 722 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 3kox n GLY 722 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kox n SER 723 N 0.00 2.17 -4.51 1.61 7.64 -0.85 -5.03 113.62 114.66 3kox n SER 723 Ca 0.00 1.19 -0.25 0.00 1.01 0.00 0.00 58.87 60.82 3kox n SER 723 Cb 0.00 -1.40 -0.10 0.00 -1.01 0.00 0.00 64.21 61.70 3kox n SER 723 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3kox s LYS 724 N -1.52 1.82 0.22 1.43 1.02 -1.26 -4.89 119.74 116.56 3kox s LYS 724 Ca 0.59 -2.03 -0.11 0.00 0.02 0.00 0.00 55.97 54.43 3kox s LYS 724 Cb -0.64 -1.16 0.31 0.00 -0.52 0.00 0.00 37.83 35.82 3kox s LYS 724 CO 0.59 -0.17 1.63 0.78 -0.92 0.00 0.00 175.35 177.27 3kox h GLY 725 N 1.92 0.61 -0.31 -3.33 0.00 -1.70 -2.25 103.07 98.02 3kox h GLY 725 Ca -0.42 0.16 0.10 0.00 0.00 0.00 0.00 47.33 47.18 3kox h GLY 725 CO 0.73 -0.25 -0.28 1.19 0.00 0.00 0.00 176.54 177.93 3kox h ILE 726 N 0.05 0.25 -0.74 2.60 6.09 -1.92 0.34 117.51 124.19 3kox h ILE 726 Ca 0.34 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.83 3kox h ILE 726 Cb 0.56 0.25 -0.04 0.00 0.47 0.00 0.00 36.82 38.06 3kox h ILE 726 CO -0.64 0.00 0.45 0.45 -3.07 0.00 0.00 178.15 175.34 3kox h HIS 727 N -0.14 0.96 0.08 2.19 3.86 -1.80 0.28 115.15 120.58 3kox h HIS 727 Ca 0.24 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3kox h HIS 727 Cb 0.52 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3kox h HIS 727 CO -0.57 0.64 -0.04 0.28 0.86 0.00 0.00 177.93 179.10 3kox h VAL 728 N 1.00 1.18 -0.85 2.45 2.07 -0.78 -0.98 116.25 120.35 3kox h VAL 728 Ca 0.26 -1.07 0.14 0.00 0.82 0.00 0.00 66.70 66.86 3kox h VAL 728 Cb -0.05 1.85 -0.09 0.00 -1.52 0.00 0.00 31.29 31.48 3kox h VAL 728 CO -0.05 0.26 0.44 0.00 0.02 0.00 0.00 177.57 178.23 3kox h ALA 729 N 0.23 1.27 0.05 1.67 0.00 -0.27 -0.59 119.26 121.63 3kox h ALA 729 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kox h ALA 729 Cb 0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kox h ALA 729 CO 0.02 -0.08 -0.10 1.15 0.00 0.00 0.00 179.25 180.23 3kox h THR 730 N 0.63 0.76 -0.74 0.00 2.02 -0.31 -1.50 112.91 113.76 3kox h THR 730 Ca 0.46 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.76 3kox h THR 730 Cb 0.64 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 3kox h THR 730 CO -0.36 0.00 0.33 0.15 0.37 0.00 0.00 175.52 176.02 3kox h PHE 731 N -0.20 0.58 -0.12 3.16 3.57 -0.52 -2.01 116.94 121.40 3kox h PHE 731 Ca 0.02 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.39 3kox h PHE 731 Cb 0.22 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3kox h PHE 731 CO -0.14 0.14 -0.60 -0.07 -2.23 0.00 0.00 178.31 175.41 3kox h LEU 732 N 0.52 0.47 0.00 0.59 3.38 -0.56 -1.09 115.31 118.62 3kox h LEU 732 Ca 0.39 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3kox h LEU 732 Cb 0.52 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3kox h LEU 732 CO -0.34 0.96 -0.12 -0.37 0.09 0.00 0.00 178.44 178.66 3kox h VAL 733 N 0.31 1.60 -0.59 1.22 -1.51 -1.02 -2.39 116.25 113.87 3kox h VAL 733 Ca -0.01 -1.92 0.03 0.00 -1.23 0.00 0.00 66.70 63.58 3kox h VAL 733 Cb 1.14 2.86 -0.04 0.00 -2.13 0.00 0.00 31.29 33.11 3kox h VAL 733 CO 0.10 0.51 0.35 0.11 -1.23 0.00 0.00 177.57 177.42 3kox h LYS 734 N -0.66 0.67 0.07 5.19 1.57 -1.40 -2.69 116.57 119.32 3kox h LYS 734 Ca -0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kox h LYS 734 Cb 0.90 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3kox h LYS 734 CO 0.02 0.44 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.09 3kox h LYS 735 N 0.69 -0.10 -0.81 3.15 1.63 -1.27 0.37 116.57 120.23 3kox h LYS 735 Ca 0.24 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.18 3kox h LYS 735 Cb 0.05 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.64 3kox h LYS 735 CO -0.11 0.28 0.53 -0.09 -3.45 0.00 0.00 179.45 176.61 3kox h ARG 736 N -0.49 0.58 0.41 1.90 2.43 -1.39 0.29 114.38 118.11 3kox h ARG 736 Ca -0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3kox h ARG 736 Cb 0.42 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3kox h ARG 736 CO 0.02 0.38 -0.20 0.00 -1.51 0.00 0.00 179.97 178.66 3kox h ARG 737 N 0.60 -0.53 -0.78 0.20 3.08 -1.34 -1.29 114.38 114.32 3kox h ARG 737 Ca 0.39 0.04 0.19 0.00 0.07 0.00 0.00 59.98 60.66 3kox h ARG 737 Cb 0.68 0.12 -0.13 0.00 0.08 0.00 0.00 29.97 30.72 3kox h ARG 737 CO -0.15 -0.32 0.11 0.93 -1.07 0.00 0.00 179.97 179.47 3kox h GLU 738 N -0.61 0.17 -0.05 0.04 5.08 0.17 -2.46 114.58 116.91 3kox h GLU 738 Ca -0.06 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3kox h GLU 738 Cb 0.46 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3kox h GLU 738 CO 0.09 0.11 -0.07 0.52 -1.00 0.00 0.00 179.01 178.66 3kox h MET 739 N 0.17 0.14 0.00 2.33 2.86 -0.65 -3.51 114.93 116.27 3kox h MET 739 Ca 0.45 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 3kox h MET 739 Cb 0.82 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3kox h MET 739 CO -0.62 0.63 0.00 0.54 1.06 0.00 0.00 176.91 178.52