#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 0.00 -2.24 1.96 0.00 -1.26 -5.05 117.38 110.79 3kox n GLN 6 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3kox n GLN 6 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 0.00 -2.56 -4.31 1.69 7.99 -1.26 -5.01 117.00 113.53 3kox n LEU 7 Ca 0.00 1.57 -0.32 0.00 -0.01 0.00 0.00 56.01 57.24 3kox n LEU 7 Cb 0.00 -2.07 -0.15 0.00 -0.11 0.00 0.00 43.42 41.09 3kox n LEU 7 CO 0.00 -2.15 -0.50 -0.13 -1.51 0.00 0.00 177.39 173.10 3kox s ARG 8 N -0.19 3.18 0.31 3.23 0.52 -1.26 -5.01 118.95 119.72 3kox s ARG 8 Ca -0.01 -0.77 0.07 0.00 -0.52 0.00 0.00 55.73 54.50 3kox s ARG 8 Cb 0.00 -2.47 0.80 0.00 0.52 0.00 0.00 34.95 33.80 3kox s ARG 8 CO 0.04 0.23 1.75 -0.39 0.02 0.00 0.00 175.30 176.95 3kox h VAL 9 N 5.46 0.62 -0.36 3.52 -1.51 -1.99 0.16 116.25 122.15 3kox h VAL 9 Ca -0.24 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3kox h VAL 9 Cb 1.22 -0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 3kox h VAL 9 CO 0.52 0.12 0.00 -0.46 -1.23 0.00 0.00 177.57 176.52 3kox n ASN 10 N -4.83 2.40 -4.48 4.19 6.94 -1.26 -4.84 115.26 113.38 3kox n ASN 10 Ca 0.25 -1.91 -0.32 0.00 -0.02 0.00 0.00 54.58 52.58 3kox n ASN 10 Cb 0.65 -0.24 -0.13 0.00 -2.36 0.00 0.00 39.78 37.70 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 -1.52 2.32 0.42 -3.83 2.02 0.56 -5.11 118.70 113.57 3kox s GLU 11 Ca 0.33 -0.82 -0.25 0.00 0.02 0.00 0.00 54.97 54.24 3kox s GLU 11 Cb 0.18 -2.31 -0.08 0.00 0.10 0.00 0.00 34.13 32.02 3kox s GLU 11 CO 0.25 0.58 1.26 0.15 0.02 0.00 0.00 175.26 177.52 3kox s LYS 12 N -1.13 3.89 -0.04 1.61 1.02 -1.26 -4.65 119.74 119.17 3kox s LYS 12 Ca 0.14 2.05 -0.39 0.00 0.02 0.00 0.00 55.97 57.79 3kox s LYS 12 Cb -0.11 -2.65 -0.17 0.00 -0.52 0.00 0.00 37.83 34.38 3kox s LYS 12 CO 0.04 -0.53 1.39 1.28 -0.92 0.00 0.00 175.35 176.61 3kox n LEU 13 N -0.06 1.45 -4.39 3.17 4.77 -1.26 -4.91 117.00 115.77 3kox n LEU 13 Ca 0.05 1.12 -0.45 0.00 -0.03 0.00 0.00 56.01 56.70 3kox n LEU 13 Cb 0.45 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.41 3kox n LEU 13 CO 0.53 -1.07 0.75 -0.62 -1.33 0.00 0.00 177.39 175.65 3kox s ASP 14 N 1.16 6.78 0.08 -1.43 2.15 -1.26 -4.89 116.67 119.26 3kox s ASP 14 Ca 0.90 -2.52 -0.18 0.00 0.43 0.00 0.00 52.55 51.17 3kox s ASP 14 Cb -1.07 -2.30 -0.08 0.00 -0.30 0.00 0.00 42.92 39.16 3kox s ASP 14 CO 0.55 -0.76 1.51 -0.37 -0.17 0.00 0.00 175.17 175.92 3kox h VAL 15 N 5.12 1.27 -0.59 1.11 -1.51 -1.95 -0.61 116.25 119.08 3kox h VAL 15 Ca 0.15 -0.96 0.23 0.00 -1.23 0.00 0.00 66.70 64.89 3kox h VAL 15 Cb 1.01 1.39 -0.11 0.00 -2.13 0.00 0.00 31.29 31.45 3kox h VAL 15 CO 0.95 0.30 0.26 1.21 -1.23 0.00 0.00 177.57 179.06 3kox n GLU 16 N -4.60 -0.04 -0.02 5.19 2.13 -1.26 -0.93 120.64 121.11 3kox n GLU 16 Ca -0.04 0.83 0.05 0.00 0.66 0.00 0.00 57.16 58.67 3kox n GLU 16 Cb 0.26 -1.46 -0.15 0.00 0.27 0.00 0.00 31.44 30.36 3kox n GLU 16 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3kox n ASN 17 N -4.43 0.13 -0.30 4.31 5.15 -0.35 -3.31 115.26 116.46 3kox n ASN 17 Ca 0.21 0.05 -0.05 0.00 -0.60 0.00 0.00 54.58 54.19 3kox n ASN 17 Cb 0.70 1.51 0.07 0.00 -0.53 0.00 0.00 39.78 41.53 3kox n ASN 17 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3kox h ILE 18 N 0.00 1.25 0.00 -1.44 2.04 0.08 -3.00 117.51 116.43 3kox h ILE 18 Ca -0.14 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3kox h ILE 18 Cb 1.34 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3kox h ILE 18 CO 0.01 0.28 0.00 -0.07 0.00 0.00 0.00 178.15 178.37 3kox h LEU 19 N 1.14 0.00 -9.86 1.44 3.38 -1.09 -3.43 115.31 106.89 3kox h LEU 19 Ca 0.28 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.74 3kox h LEU 19 Cb 0.06 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.86 3kox h LEU 19 CO -0.04 0.00 0.57 -0.54 0.09 0.00 0.00 178.44 178.52 3kox s LYS 20 N -3.66 4.42 -1.85 1.13 -0.14 -1.14 -3.76 119.74 114.75 3kox s LYS 20 Ca 0.00 2.05 0.00 0.00 -1.36 0.00 0.00 55.97 56.66 3kox s LYS 20 Cb 0.09 -3.08 0.00 0.00 -1.68 0.00 0.00 37.83 33.17 3kox s LYS 20 CO 0.44 -0.07 0.00 -0.25 -0.76 0.00 0.00 175.35 174.71 3kox n ASP 21 N 0.87 -5.89 0.16 2.83 8.00 -1.26 -4.85 116.55 116.40 3kox n ASP 21 Ca -0.00 0.05 0.16 0.00 0.71 0.00 0.00 54.79 55.71 3kox n ASP 21 Cb 0.43 -4.93 0.76 0.00 -0.02 0.00 0.00 41.12 37.36 3kox n ASP 21 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kox h LEU 22 N 0.00 0.00 -2.31 0.64 3.38 -1.83 0.19 115.31 115.38 3kox h LEU 22 Ca -0.49 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 3kox h LEU 22 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 3kox h LEU 22 CO 0.59 0.00 -0.04 -2.24 0.09 0.00 0.00 178.44 176.84 3kox h ASP 23 N 0.00 0.00 0.46 -0.43 2.03 -1.92 -1.64 116.42 114.93 3kox h ASP 23 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 3kox h ASP 23 Cb 0.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 3kox h ASP 23 CO -0.00 0.04 -0.44 0.29 -1.03 0.00 0.00 179.24 178.10 3kox n LYS 24 N -3.58 0.16 -2.25 4.15 4.76 0.67 -4.98 118.16 117.08 3kox n LYS 24 Ca -0.02 -0.09 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 3kox n LYS 24 Cb 0.15 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.90 3.30 -0.00 2.13 5.04 -0.62 -5.04 117.35 119.26 3kox s TYR 25 Ca 0.14 1.15 0.07 0.00 -2.44 0.00 0.00 57.07 55.99 3kox s TYR 25 Cb 0.18 -3.58 -0.02 0.00 0.35 0.00 0.00 41.96 38.89 3kox s TYR 25 CO 0.66 -1.89 -0.22 0.99 -1.34 0.00 0.00 175.55 173.75 3kox s THR 26 N 0.65 1.73 0.61 4.34 2.01 -1.26 -5.09 115.64 118.63 3kox s THR 26 Ca 0.60 -1.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.40 3kox s THR 26 Cb -0.35 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 3kox s THR 26 CO 0.33 0.42 1.23 -2.65 -0.69 0.00 0.00 174.62 173.26 3kox n PRO 27 N 2.36 1.19 -0.08 4.92 -0.02 -1.26 -4.97 135.00 137.13 3kox n PRO 27 Ca -0.16 0.46 -0.17 0.00 -2.02 0.00 0.00 63.50 61.61 3kox n PRO 27 Cb 0.53 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 3kox n PRO 27 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kox h LYS 28 N 0.73 0.00 -6.26 -0.52 1.57 -1.97 -3.48 116.57 106.64 3kox h LYS 28 Ca -0.50 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.69 3kox h LYS 28 Cb 1.34 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.56 3kox h LYS 28 CO 0.53 0.95 -0.61 1.03 -0.57 0.00 0.00 179.45 180.79 3kox s ARG 29 N -2.26 2.65 0.18 3.15 0.52 -1.26 -5.13 118.95 116.80 3kox s ARG 29 Ca -0.23 -1.00 0.11 0.00 -0.52 0.00 0.00 55.73 54.09 3kox s ARG 29 Cb 0.01 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 3kox s ARG 29 CO 0.62 0.46 -0.23 1.03 0.02 0.00 0.00 175.30 177.20 3kox s ARG 30 N -3.08 1.45 0.00 3.54 0.52 -1.26 -4.73 118.95 115.39 3kox s ARG 30 Ca 0.29 -1.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 3kox s ARG 30 Cb -0.09 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.63 3kox s ARG 30 CO 0.21 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.32 3kox n GLY 31 N 0.37 2.54 3.79 -3.53 0.00 -1.24 -5.02 105.19 102.10 3kox n GLY 31 Ca -0.13 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.97 3.82 -0.21 1.61 -0.11 -0.94 -4.68 118.94 115.46 3kox s TRP 32 Ca 0.00 1.54 0.02 0.00 1.22 0.00 0.00 56.10 58.88 3kox s TRP 32 Cb 0.00 -2.71 0.04 0.00 -1.50 0.00 0.00 33.47 29.30 3kox s TRP 32 CO 0.00 0.46 -0.14 0.95 -4.62 0.00 0.00 176.95 173.60 3kox s THR 33 N -1.27 1.99 1.04 5.86 -4.23 -1.26 -5.05 115.64 112.72 3kox s THR 33 Ca 0.38 -1.19 -0.12 0.00 -1.18 0.00 0.00 61.69 59.57 3kox s THR 33 Cb -0.21 -1.96 0.21 0.00 1.34 0.00 0.00 72.50 71.88 3kox s THR 33 CO 0.24 0.25 1.07 0.26 -0.54 0.00 0.00 174.62 175.90 3kox s TRP 34 N 1.25 1.82 0.21 3.99 0.52 -1.26 -4.84 118.94 120.64 3kox s TRP 34 Ca -0.01 1.15 -0.08 0.00 0.02 0.00 0.00 56.10 57.17 3kox s TRP 34 Cb -0.16 -3.19 -0.07 0.00 -1.15 0.00 0.00 33.47 28.90 3kox s TRP 34 CO -0.09 -3.20 0.50 1.03 0.02 0.00 0.00 176.95 175.21 3kox s ARG 35 N -4.75 3.74 -0.25 4.98 0.52 -1.26 -5.06 118.95 116.87 3kox s ARG 35 Ca 0.66 0.15 -0.11 0.00 -0.52 0.00 0.00 55.73 55.91 3kox s ARG 35 Cb -0.21 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.50 3kox s ARG 35 CO 0.60 0.35 0.19 -0.65 0.02 0.00 0.00 175.30 175.82 3kox s GLN 36 N -2.82 4.05 0.41 3.54 -1.52 -1.26 -5.02 119.66 117.04 3kox s GLN 36 Ca 0.45 -0.24 -0.25 0.00 -1.95 0.00 0.00 55.36 53.37 3kox s GLN 36 Cb -0.11 -3.57 -0.08 0.00 -0.22 0.00 0.00 33.01 29.02 3kox s GLN 36 CO 0.23 -0.01 1.25 -2.14 -0.25 0.00 0.00 175.29 174.36 3kox s PRO 37 N 1.27 3.95 -0.41 2.91 0.02 -1.26 -1.82 135.00 139.66 3kox s PRO 37 Ca 0.08 2.02 0.03 0.00 0.02 0.00 0.00 61.00 63.16 3kox s PRO 37 Cb -0.14 -2.69 0.11 0.00 0.02 0.00 0.00 34.50 31.80 3kox s PRO 37 CO 0.06 -0.47 0.14 0.00 -0.33 0.00 0.00 177.00 176.41 3kox s ALA 38 N -1.33 3.07 0.44 -1.55 0.00 0.61 -4.70 121.76 118.30 3kox s ALA 38 Ca 0.58 -2.79 -0.25 0.00 0.00 0.00 0.00 51.96 49.49 3kox s ALA 38 Cb -0.35 -2.08 -0.09 0.00 0.00 0.00 0.00 23.12 20.60 3kox s ALA 38 CO 0.44 -1.81 1.35 0.39 0.00 0.00 0.00 175.76 176.12 3kox n GLU 39 N 3.89 2.06 -4.30 0.00 -0.58 -1.26 -3.26 120.64 117.19 3kox n GLU 39 Ca 0.04 0.74 -0.38 0.00 -0.42 0.00 0.00 57.16 57.14 3kox n GLU 39 Cb 0.39 -2.50 -0.07 0.00 -0.57 0.00 0.00 31.44 28.69 3kox n GLU 39 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kox n ASN 40 N -0.01 -1.81 -4.63 1.62 3.02 -1.06 -4.78 115.26 107.60 3kox n ASN 40 Ca 0.06 -1.04 -0.43 0.00 -0.03 0.00 0.00 54.58 53.15 3kox n ASN 40 Cb 0.41 -1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 37.96 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 -6.99 3.88 -0.00 3.41 2.96 -1.06 -4.60 118.68 116.28 3kox s LEU 41 Ca 0.74 2.12 -0.30 0.00 -0.22 0.00 0.00 54.13 56.46 3kox s LEU 41 Cb -0.43 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 42.70 3kox s LEU 41 CO 0.90 -1.51 1.20 -1.58 -1.32 0.00 0.00 176.35 174.05 3kox s GLN 42 N 5.38 4.39 -0.05 1.98 2.00 -1.26 -0.44 119.66 131.66 3kox s GLN 42 Ca 0.91 1.72 0.00 0.00 -2.00 0.00 0.00 55.36 55.99 3kox s GLN 42 Cb -0.35 -3.47 0.03 0.00 0.80 0.00 0.00 33.01 30.02 3kox s GLN 42 CO 0.36 -0.36 -0.01 -1.64 -0.50 0.00 0.00 175.29 173.14 3kox s MET 43 N 1.69 0.56 4.02 1.67 -1.94 -0.15 -4.99 119.30 120.16 3kox s MET 43 Ca 0.57 0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.58 3kox s MET 43 Cb -0.27 -0.73 0.00 0.00 2.01 0.00 0.00 34.83 35.84 3kox s MET 43 CO 0.26 -0.16 0.00 0.41 -0.01 0.00 0.00 175.02 175.52 3kox n GLY 44 N 4.37 2.84 0.40 -0.03 0.00 -1.26 -2.17 105.19 109.34 3kox n GLY 44 Ca -0.21 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 1.53 -4.52 1.61 -0.02 -1.26 -4.90 135.00 141.44 3kox n PRO 45 Ca 0.00 -0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 60.43 3kox n PRO 45 Cb 0.00 -1.37 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 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 -1.85 2.33 -0.07 6.00 0.08 -0.92 -5.14 117.98 118.41 3kox s PHE 46 Ca 0.32 -0.51 0.05 0.00 0.12 0.00 0.00 56.93 56.91 3kox s PHE 46 Cb 0.16 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 41.30 3kox s PHE 46 CO 0.25 0.56 -0.22 0.42 -0.10 0.00 0.00 175.22 176.14 3kox s ILE 47 N -2.65 2.36 -0.08 0.64 1.01 -1.26 -0.98 121.20 120.24 3kox s ILE 47 Ca 0.32 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3kox s ILE 47 Cb 0.02 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3kox s ILE 47 CO 0.16 0.57 -0.09 -0.31 0.00 0.00 0.00 174.94 175.27 3kox s TYR 48 N -0.20 2.89 -0.11 3.97 2.02 0.41 -4.94 117.35 121.39 3kox s TYR 48 Ca -0.02 -0.11 0.17 0.00 -0.37 0.00 0.00 57.07 56.74 3kox s TYR 48 Cb -0.13 -1.74 -0.18 0.00 -0.40 0.00 0.00 41.96 39.51 3kox s TYR 48 CO 0.03 0.21 0.68 1.63 -1.57 0.00 0.00 175.55 176.54 3kox n LYS 49 N 2.51 0.63 -2.36 -0.62 4.01 -1.26 -2.56 118.16 118.51 3kox n LYS 49 Ca -0.18 0.18 -0.18 0.00 -0.51 0.00 0.00 58.31 57.62 3kox n LYS 49 Cb 0.53 -1.75 0.02 0.00 -0.51 0.00 0.00 35.03 33.32 3kox n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kox n ASP 50 N -2.86 3.81 -4.87 4.39 8.00 -1.26 -4.66 116.55 119.09 3kox n ASP 50 Ca -0.13 -3.27 -0.21 0.00 0.71 0.00 0.00 54.79 51.89 3kox n ASP 50 Cb 0.90 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 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 3.84 0.42 2.24 0.00 -1.26 -3.60 121.76 119.81 3kox s ALA 51 Ca 0.43 -1.55 0.07 0.00 0.00 0.00 0.00 51.96 50.91 3kox s ALA 51 Cb 0.39 -1.30 -0.07 0.00 0.00 0.00 0.00 23.12 22.14 3kox s ALA 51 CO -0.03 0.07 0.04 -1.54 0.00 0.00 0.00 175.76 174.31 3kox s SER 52 N -3.98 3.99 0.10 0.00 1.04 -0.32 -0.28 113.70 114.25 3kox s SER 52 Ca 0.39 -1.33 -0.36 0.00 0.48 0.00 0.00 55.95 55.13 3kox s SER 52 Cb -0.07 -0.37 -0.17 0.00 0.10 0.00 0.00 66.02 65.51 3kox s SER 52 CO 0.27 -0.48 1.27 0.41 0.98 0.00 0.00 173.24 175.68 3kox n THR 53 N -1.03 0.24 -1.96 2.02 -1.04 -0.75 -4.42 114.28 107.33 3kox n THR 53 Ca -0.05 -0.06 -0.36 0.00 -2.04 0.00 0.00 64.05 61.54 3kox n THR 53 Cb 0.67 -0.75 0.04 0.00 -1.82 0.00 0.00 70.33 68.47 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 0.22 2.93 0.75 -2.82 0.02 -1.26 -4.82 135.00 130.01 3kox s PRO 54 Ca 0.82 1.89 -0.12 0.00 0.02 0.00 0.00 61.00 63.61 3kox s PRO 54 Cb -0.95 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 31.67 3kox s PRO 54 CO 0.49 -1.26 1.12 -0.51 -0.33 0.00 0.00 177.00 176.51 3kox s LEU 55 N -4.06 3.15 -0.06 -5.54 1.43 -1.26 -5.00 118.68 107.34 3kox s LEU 55 Ca 0.78 1.98 -0.09 0.00 -1.03 0.00 0.00 54.13 55.77 3kox s LEU 55 Cb -0.32 -4.54 -0.30 0.00 0.03 0.00 0.00 46.19 41.06 3kox s LEU 55 CO 0.35 -2.07 0.63 -0.33 0.23 0.00 0.00 176.35 175.16 3kox h GLU 56 N -0.77 0.36 -4.97 1.70 5.08 -1.43 -3.45 114.58 111.09 3kox h GLU 56 Ca -0.45 -0.61 -0.59 0.00 -1.00 0.00 0.00 59.36 56.71 3kox h GLU 56 Cb 1.25 0.23 -0.33 0.00 0.50 0.00 0.00 28.75 30.39 3kox h GLU 56 CO 0.51 1.27 -0.84 -0.80 -1.00 0.00 0.00 179.01 178.15 3kox s ASN 57 N -7.21 2.37 0.15 1.42 0.01 -1.15 -5.00 114.94 105.53 3kox s ASN 57 Ca -0.16 -0.41 -0.14 0.00 -0.71 0.00 0.00 52.86 51.43 3kox s ASN 57 Cb 0.06 -1.04 0.02 0.00 0.41 0.00 0.00 41.25 40.70 3kox s ASN 57 CO 0.84 0.10 0.39 -0.94 -1.51 0.00 0.00 177.10 175.98 3kox s SER 58 N 0.45 -0.14 -0.26 -1.22 1.04 -1.26 -4.58 113.70 107.72 3kox s SER 58 Ca -0.15 -0.52 -0.11 0.00 0.48 0.00 0.00 55.95 55.65 3kox s SER 58 Cb -0.16 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 3kox s SER 58 CO 0.06 -0.91 0.18 -0.69 0.98 0.00 0.00 173.24 172.85 3kox s VAL 59 N -3.87 5.33 0.61 5.02 1.01 -0.30 -5.03 120.40 123.17 3kox s VAL 59 Ca 0.08 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 3kox s VAL 59 Cb 0.02 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3kox s VAL 59 CO -0.06 0.29 0.96 0.00 0.00 0.00 0.00 175.10 176.28 3kox s ALA 60 N 1.48 3.17 0.60 5.51 0.00 -1.26 -4.65 121.76 126.62 3kox s ALA 60 Ca 0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.41 3kox s ALA 60 Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 3kox s ALA 60 CO 0.08 -0.79 1.25 -0.51 0.00 0.00 0.00 175.76 175.80 3kox s LEU 61 N -5.09 3.66 0.31 0.00 1.43 -1.26 -4.88 118.68 112.85 3kox s LEU 61 Ca 0.54 2.50 0.07 0.00 -1.03 0.00 0.00 54.13 56.21 3kox s LEU 61 Cb -0.11 -4.57 0.86 0.00 0.03 0.00 0.00 46.19 42.40 3kox s LEU 61 CO 0.49 -1.71 1.66 -0.65 0.23 0.00 0.00 176.35 176.36 3kox h PRO 62 N 0.86 0.26 -0.18 1.29 0.11 -1.99 0.11 132.00 132.46 3kox h PRO 62 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kox h PRO 62 Cb 1.31 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kox h PRO 62 CO 0.55 0.17 0.00 0.43 -0.21 0.00 0.00 178.00 178.94 3kox n SER 63 N -5.15 1.19 0.25 -2.05 7.64 -1.26 -3.14 113.62 111.09 3kox n SER 63 Ca 0.25 -1.81 0.10 0.00 1.01 0.00 0.00 58.87 58.42 3kox n SER 63 Cb 0.80 -0.12 0.63 0.00 -1.01 0.00 0.00 64.21 64.52 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 3.65 1.34 -0.16 -0.43 0.00 -1.08 -3.14 119.26 119.44 3kox h ALA 64 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3kox h ALA 64 Cb 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kox h ALA 64 CO 0.00 0.21 0.35 1.57 0.00 0.00 0.00 179.25 181.37 3kox h LYS 65 N 0.00 0.00 -0.01 0.00 2.10 -1.72 0.52 116.57 117.47 3kox h LYS 65 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kox h LYS 65 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 3kox h LYS 65 CO 0.02 0.00 -0.11 0.66 -2.00 0.00 0.00 179.45 178.02 3kox n TYR 66 N -3.28 0.00 -2.30 0.07 4.01 -1.19 -4.04 117.16 110.44 3kox n TYR 66 Ca 0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 3kox n TYR 66 Cb 0.45 -0.08 0.07 0.00 -0.31 0.00 0.00 39.34 39.47 3kox n TYR 66 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kox n PHE 67 N -0.41 0.90 -3.00 -0.72 3.72 0.18 -4.99 117.46 113.13 3kox n PHE 67 Ca 0.16 -1.52 -0.12 0.00 -0.05 0.00 0.00 57.45 55.93 3kox n PHE 67 Cb 0.32 -0.23 0.05 0.00 -0.94 0.00 0.00 39.48 38.68 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 -0.40 0.06 3.45 1.37 0.00 -1.16 -3.65 105.19 104.87 3kox n GLY 68 Ca 0.17 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.48 -1.22 -4.78 1.61 8.00 -1.05 -4.92 116.55 112.71 3kox n ASP 69 Ca -0.06 -0.74 -0.34 0.00 0.71 0.00 0.00 54.79 54.36 3kox n ASP 69 Cb 0.56 -1.08 0.02 0.00 -0.02 0.00 0.00 41.12 40.60 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 -2.45 3.40 -0.38 0.53 -4.36 -1.24 -4.84 121.20 111.86 3kox s ILE 70 Ca 0.53 0.73 0.11 0.00 -0.26 0.00 0.00 60.65 61.76 3kox s ILE 70 Cb -0.31 -3.25 0.35 0.00 1.25 0.00 0.00 42.46 40.50 3kox s ILE 70 CO 0.64 -0.33 0.78 -0.67 0.24 0.00 0.00 174.94 175.61 3kox n ASP 71 N -1.91 0.45 -4.65 4.36 2.03 -1.26 -4.62 116.55 110.95 3kox n ASP 71 Ca 0.10 -3.09 -0.39 0.00 0.52 0.00 0.00 54.79 51.93 3kox n ASP 71 Cb 0.52 -0.31 0.04 0.00 -0.72 0.00 0.00 41.12 40.65 3kox n ASP 71 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3kox n PRO 72 N 0.28 1.22 -5.07 -0.67 -0.04 -1.26 -4.73 135.00 124.74 3kox n PRO 72 Ca 0.22 0.46 -0.32 0.00 -0.04 0.00 0.00 63.50 63.82 3kox n PRO 72 Cb 0.67 -2.26 -0.15 0.00 -0.04 0.00 0.00 33.50 31.72 3kox n PRO 72 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3kox s GLN 73 N -2.63 2.53 0.98 0.54 -1.52 -1.26 -4.99 119.66 113.30 3kox s GLN 73 Ca 0.72 -0.80 -0.15 0.00 -1.95 0.00 0.00 55.36 53.17 3kox s GLN 73 Cb -0.45 -2.28 0.18 0.00 -0.22 0.00 0.00 33.01 30.25 3kox s GLN 73 CO 0.50 0.50 1.22 -1.25 -0.25 0.00 0.00 175.29 176.00 3kox s PRO 74 N -0.43 0.58 0.10 2.91 0.04 -1.26 -1.17 135.00 135.78 3kox s PRO 74 Ca 0.05 -0.10 -0.15 0.00 0.04 0.00 0.00 61.00 60.84 3kox s PRO 74 Cb -0.12 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 3kox s PRO 74 CO 0.02 -2.50 1.46 -0.07 0.04 0.00 0.00 177.00 175.94 3kox h LEU 75 N -1.71 0.72-10.19 -3.56 3.38 -1.86 -3.36 115.31 98.73 3kox h LEU 75 Ca -0.46 -0.43 -0.49 0.00 0.09 0.00 0.00 57.88 56.59 3kox h LEU 75 Cb 1.28 -0.20 0.06 0.00 0.09 0.00 0.00 40.66 41.89 3kox h LEU 75 CO 0.47 0.99 0.38 -2.84 0.09 0.00 0.00 178.44 177.53 3kox s PRO 76 N -4.53 3.41 0.30 1.13 0.02 -1.26 -4.53 135.00 129.54 3kox s PRO 76 Ca -0.13 1.19 -0.28 0.00 0.02 0.00 0.00 61.00 61.80 3kox s PRO 76 Cb 0.09 -2.05 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 3kox s PRO 76 CO 0.82 -0.73 1.08 0.08 -0.33 0.00 0.00 177.00 177.91 3kox s VAL 77 N -2.44 3.57 -0.16 3.83 1.01 -0.93 -4.83 120.40 120.44 3kox s VAL 77 Ca 0.63 1.50 0.00 0.00 0.00 0.00 0.00 61.98 64.12 3kox s VAL 77 Cb -0.15 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3kox s VAL 77 CO 0.35 0.30 -0.15 -0.63 0.00 0.00 0.00 175.10 174.97 3kox s ILE 78 N -1.26 2.62 0.05 2.22 -1.09 -1.26 -0.96 121.20 121.52 3kox s ILE 78 Ca 0.47 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 58.12 3kox s ILE 78 Cb -0.30 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 3kox s ILE 78 CO 0.38 0.51 0.14 -0.89 -1.23 0.00 0.00 174.94 173.84 3kox s THR 79 N 0.94 4.96 0.03 2.92 2.01 -0.95 -2.14 115.64 123.40 3kox s THR 79 Ca -0.03 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 3kox s THR 79 Cb -0.15 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 3kox s THR 79 CO -0.02 0.18 0.04 0.28 -0.69 0.00 0.00 174.62 174.41 3kox s THR 80 N -1.40 0.13 -0.23 -0.82 -1.32 -0.79 -2.85 115.64 108.36 3kox s THR 80 Ca 0.30 -1.05 -0.05 0.00 -1.21 0.00 0.00 61.69 59.69 3kox s THR 80 Cb -0.12 -0.66 -0.01 0.00 -1.51 0.00 0.00 72.50 70.19 3kox s THR 80 CO 0.23 -0.58 -0.01 -1.61 -2.21 0.00 0.00 174.62 170.44 3kox s GLU 81 N -2.14 3.41 -0.15 7.08 2.02 -1.26 -1.97 118.70 125.69 3kox s GLU 81 Ca -0.09 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.27 3kox s GLU 81 Cb -0.04 -3.10 0.05 0.00 0.10 0.00 0.00 34.13 31.14 3kox s GLU 81 CO -0.03 -0.21 0.01 0.42 0.02 0.00 0.00 175.26 175.47 3kox s ILE 82 N 1.51 0.54 -0.37 -1.63 1.01 -0.65 -4.96 121.20 116.65 3kox s ILE 82 Ca 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 3kox s ILE 82 Cb -0.15 -0.90 0.19 0.00 0.01 0.00 0.00 42.46 41.61 3kox s ILE 82 CO -0.02 -0.02 0.90 0.00 0.00 0.00 0.00 174.94 175.80 3kox s ALA 83 N 1.87 -3.61 -1.42 9.38 0.00 -1.26 -4.37 121.76 122.35 3kox s ALA 83 Ca 0.01 0.74 0.28 0.00 0.00 0.00 0.00 51.96 52.99 3kox s ALA 83 Cb -0.15 -2.90 1.01 0.00 0.00 0.00 0.00 23.12 21.07 3kox s ALA 83 CO -0.07 -2.39 1.73 -1.13 0.00 0.00 0.00 175.76 173.90 3kox n SER 84 N 3.75 0.48 0.00 0.00 3.41 -1.26 -4.16 113.62 115.85 3kox n SER 84 Ca 0.09 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3kox n SER 84 Cb 0.61 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 1.37 0.96 2.63 5.00 0.00 -1.20 -4.66 105.19 109.28 3kox n GLY 85 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.76 0.99 0.41 1.61 0.52 -1.26 -1.05 118.95 119.41 3kox s ARG 86 Ca 0.00 -1.70 0.21 0.00 -0.52 0.00 0.00 55.73 53.72 3kox s ARG 86 Cb 0.00 -1.95 1.18 0.00 0.52 0.00 0.00 34.95 34.70 3kox s ARG 86 CO 0.00 -1.17 1.76 0.27 0.02 0.00 0.00 175.30 176.18 3kox h PHE 87 N 6.93 0.59 -0.42 -0.53 -5.15 -1.93 -2.47 116.94 113.95 3kox h PHE 87 Ca 0.00 0.02 -0.09 0.00 -0.20 0.00 0.00 57.97 57.71 3kox h PHE 87 Cb 0.95 -0.17 -0.02 0.00 0.22 0.00 0.00 35.95 36.93 3kox h PHE 87 CO 0.46 0.02 -0.09 1.05 -2.00 0.00 0.00 178.31 177.75 3kox h GLU 88 N 0.33 0.73 -0.20 6.09 9.09 -2.00 -1.82 114.58 126.80 3kox h GLU 88 Ca 0.62 -0.23 -0.15 0.00 0.05 0.00 0.00 59.36 59.65 3kox h GLU 88 Cb 1.69 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.71 3kox h GLU 88 CO -0.29 0.80 -0.50 -0.44 0.05 0.00 0.00 179.01 178.64 3kox h ASP 89 N 0.67 0.60 0.35 3.06 3.32 -1.80 -3.33 116.42 119.29 3kox h ASP 89 Ca 0.12 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 3kox h ASP 89 Cb 0.55 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3kox h ASP 89 CO 0.03 1.00 -0.36 0.44 -1.72 0.00 0.00 179.24 178.63 3kox h ASP 90 N 0.43 0.02 -0.76 6.45 3.32 -0.91 -2.38 116.42 122.59 3kox h ASP 90 Ca 0.02 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.22 3kox h ASP 90 Cb 1.02 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.46 3kox h ASP 90 CO 0.09 0.38 0.25 0.40 -1.72 0.00 0.00 179.24 178.64 3kox h ILE 91 N 0.02 0.57 -0.42 0.35 2.04 -1.54 0.80 117.51 119.33 3kox h ILE 91 Ca -0.00 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 3kox h ILE 91 Cb 0.65 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3kox h ILE 91 CO 0.05 0.06 -0.03 0.03 0.00 0.00 0.00 178.15 178.26 3kox h ARG 92 N 0.35 0.77 -0.35 2.37 3.08 -1.62 -2.22 114.38 116.77 3kox h ARG 92 Ca 0.43 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3kox h ARG 92 Cb 0.71 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3kox h ARG 92 CO -0.47 0.86 0.12 -0.09 -1.07 0.00 0.00 179.97 179.32 3kox h ARG 93 N 0.60 0.49 -0.24 0.04 2.43 -1.35 -2.06 114.38 114.30 3kox h ARG 93 Ca 0.12 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3kox h ARG 93 Cb 0.54 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3kox h ARG 93 CO 0.03 0.43 0.16 0.52 -1.51 0.00 0.00 179.97 179.60 3kox h MET 94 N 0.49 0.23 -0.00 0.20 2.86 -0.25 -0.01 114.93 118.45 3kox h MET 94 Ca 0.12 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3kox h MET 94 Cb 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3kox h MET 94 CO -0.01 0.15 -0.01 -0.09 1.06 0.00 0.00 176.91 178.01 3kox h ARG 95 N 0.24 0.01 -0.22 1.72 2.43 -1.12 -1.74 114.38 115.70 3kox h ARG 95 Ca 0.09 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3kox h ARG 95 Cb 0.09 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 3kox h ARG 95 CO -0.02 0.58 -0.38 0.52 -1.51 0.00 0.00 179.97 179.16 3kox h MET 96 N -0.55 -0.39 -0.86 0.20 2.86 -1.35 -0.53 114.93 114.32 3kox h MET 96 Ca 0.00 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.83 3kox h MET 96 Cb 0.58 0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.23 3kox h MET 96 CO 0.00 -0.26 0.43 0.00 1.06 0.00 0.00 176.91 178.14 3kox h ALA 97 N 0.34 1.31 -0.09 6.32 0.00 -1.00 -2.00 119.26 124.13 3kox h ALA 97 Ca 0.11 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3kox h ALA 97 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3kox h ALA 97 CO -0.44 -0.14 -0.62 0.00 0.00 0.00 0.00 179.25 178.05 3kox h ALA 98 N 1.59 0.77 0.00 0.00 0.00 -0.18 -1.37 119.26 120.08 3kox h ALA 98 Ca 0.48 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3kox h ALA 98 Cb 0.74 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kox h ALA 98 CO -0.40 0.73 -0.14 -1.49 0.00 0.00 0.00 179.25 177.96 3kox h TRP 99 N 0.25 0.00 -0.22 0.00 4.06 -0.63 -1.39 115.95 118.02 3kox h TRP 99 Ca -0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3kox h TRP 99 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 3kox h TRP 99 CO 0.03 0.14 0.00 0.72 -3.56 0.00 0.00 178.44 175.77 3kox n HIS 100 N -3.37 0.28 0.00 0.49 8.25 -0.61 -1.15 115.22 119.11 3kox n HIS 100 Ca -0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3kox n HIS 100 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 1.29 1.49 3.69 -1.41 0.00 -0.52 -4.57 105.19 105.16 3kox n GLY 101 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.98 3.58 -0.20 4.61 0.00 -0.63 -4.76 121.76 122.38 3kox s ALA 102 Ca 0.00 0.89 0.13 0.00 0.00 0.00 0.00 51.96 52.98 3kox s ALA 102 Cb 0.00 -3.59 0.40 0.00 0.00 0.00 0.00 23.12 19.93 3kox s ALA 102 CO 0.00 -0.90 1.24 -0.40 0.00 0.00 0.00 175.76 175.70 3kox n ASP 103 N 5.32 2.03 -3.44 0.00 5.75 -0.91 -4.29 116.55 121.01 3kox n ASP 103 Ca 0.13 -3.67 -0.15 0.00 -0.01 0.00 0.00 54.79 51.09 3kox n ASP 103 Cb 0.44 -0.52 -0.11 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 -3.14 -0.48 -0.17 2.11 5.04 -1.00 -1.36 115.29 116.28 3kox s HIS 104 Ca 0.37 0.42 -0.03 0.00 -1.54 0.00 0.00 55.06 54.28 3kox s HIS 104 Cb 0.35 -0.23 -0.02 0.00 0.04 0.00 0.00 32.58 32.72 3kox s HIS 104 CO -0.03 -0.66 -0.05 0.42 -2.34 0.00 0.00 174.74 172.07 3kox s ILE 105 N 2.41 3.64 -0.08 0.89 -1.09 -0.05 -1.88 121.20 125.04 3kox s ILE 105 Ca 0.09 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.11 3kox s ILE 105 Cb -0.16 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.13 3kox s ILE 105 CO -0.14 0.48 -0.19 -0.32 -1.23 0.00 0.00 174.94 173.54 3kox s MET 106 N 0.63 2.34 -0.26 2.79 -2.45 -0.83 -1.90 119.30 119.62 3kox s MET 106 Ca -0.03 -0.67 -0.00 0.00 -1.25 0.00 0.00 55.69 53.73 3kox s MET 106 Cb -0.15 -1.86 0.04 0.00 1.25 0.00 0.00 34.83 34.12 3kox s MET 106 CO 0.02 0.15 -0.06 0.08 1.05 0.00 0.00 175.02 176.26 3kox s VAL 107 N 0.38 2.69 0.30 10.11 1.01 0.29 -1.63 120.40 133.54 3kox s VAL 107 Ca -0.14 -1.29 -0.28 0.00 0.00 0.00 0.00 61.98 60.27 3kox s VAL 107 Cb -0.16 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 3kox s VAL 107 CO 0.06 0.06 1.00 -0.63 0.00 0.00 0.00 175.10 175.59 3kox s ILE 108 N 1.24 3.90 0.61 2.22 1.01 -1.26 -4.36 121.20 124.56 3kox s ILE 108 Ca -0.04 1.74 -0.12 0.00 0.00 0.00 0.00 60.65 62.24 3kox s ILE 108 Cb -0.18 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3kox s ILE 108 CO -0.04 0.29 1.02 -0.13 0.00 0.00 0.00 174.94 176.08 3kox s ARG 109 N -1.70 3.63 0.70 2.79 0.52 -1.26 -0.48 118.95 123.15 3kox s ARG 109 Ca 0.47 0.79 -0.16 0.00 -0.52 0.00 0.00 55.73 56.31 3kox s ARG 109 Cb -0.25 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.15 3kox s ARG 109 CO 0.31 -0.55 1.13 -2.37 0.02 0.00 0.00 175.30 173.85 3kox n THR 110 N -2.59 3.56 -1.62 0.02 5.66 -0.82 -4.05 114.28 114.44 3kox n THR 110 Ca 0.06 -0.40 -0.46 0.00 -3.05 0.00 0.00 64.05 60.20 3kox n THR 110 Cb 0.54 -1.27 -0.04 0.00 -1.55 0.00 0.00 70.33 68.01 3kox n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kox n ALA 111 N -2.37 1.30 -0.57 1.79 0.00 -0.10 -2.02 120.51 118.53 3kox n ALA 111 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3kox n ALA 111 Cb 0.49 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.28 3kox n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kox n GLY 112 N 5.15 0.67 0.35 0.00 0.00 -1.26 -4.92 105.19 105.18 3kox n GLY 112 Ca 0.27 -0.37 0.17 0.00 0.00 0.00 0.00 46.02 46.08 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 0.93 0.00 -1.35 1.61 4.15 -1.74 -0.73 115.11 117.97 3kox h GLN 113 Ca 0.00 0.00 0.40 0.00 0.77 0.00 0.00 58.65 59.82 3kox h GLN 113 Cb 0.00 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.61 3kox h GLN 113 CO 0.00 0.00 0.94 0.77 -1.93 0.00 0.00 178.83 178.61 3kox h SER 114 N 0.00 0.14 0.27 -0.69 0.02 -1.86 -0.11 113.55 111.33 3kox h SER 114 Ca 0.17 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3kox h SER 114 Cb 0.70 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3kox h SER 114 CO -0.00 -0.03 -0.50 1.41 -1.14 0.00 0.00 176.83 176.57 3kox n HIS 115 N -4.34 0.00 -1.87 3.45 8.25 -0.28 0.38 115.22 120.81 3kox n HIS 115 Ca 0.32 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.35 3kox n HIS 115 Cb 1.38 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 32.33 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 -2.77 1.60 -0.19 4.41 2.02 -0.06 -4.87 117.35 117.49 3kox s TYR 116 Ca 0.16 0.60 -0.05 0.00 -0.37 0.00 0.00 57.07 57.41 3kox s TYR 116 Cb 0.18 -4.06 -0.11 0.00 -0.40 0.00 0.00 41.96 37.57 3kox s TYR 116 CO 0.65 -3.32 3.16 -3.47 -1.57 0.00 0.00 175.55 171.01 3kox n ASP 117 N 10.75 5.76 0.00 2.29 2.03 -1.26 -4.20 116.55 131.92 3kox n ASP 117 Ca 0.25 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.79 3kox n ASP 117 Cb 0.46 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 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 1.75 1.44 3.74 0.27 0.00 -1.26 -4.97 105.19 106.17 3kox n GLY 118 Ca 0.43 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 3.39 0.35 0.99 1.43 -1.26 -4.97 118.68 118.62 3kox s LEU 119 Ca 0.00 2.29 0.08 0.00 -1.03 0.00 0.00 54.13 55.47 3kox s LEU 119 Cb 0.00 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.60 3kox s LEU 119 CO 0.00 -2.01 0.16 0.27 0.23 0.00 0.00 176.35 175.00 3kox s ILE 120 N -1.99 2.91 0.03 -0.59 -4.36 -1.26 -5.15 121.20 110.79 3kox s ILE 120 Ca 0.73 -1.67 0.05 0.00 -0.26 0.00 0.00 60.65 59.51 3kox s ILE 120 Cb -0.28 -2.98 -0.02 0.00 1.25 0.00 0.00 42.46 40.43 3kox s ILE 120 CO 0.42 -0.15 -0.16 -1.61 0.24 0.00 0.00 174.94 173.69 3kox s GLU 121 N -3.87 1.06 0.00 0.37 0.41 -1.26 -4.38 118.70 111.03 3kox s GLU 121 Ca 0.39 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 54.17 3kox s GLU 121 Cb -0.02 -1.09 0.00 0.00 -1.78 0.00 0.00 34.13 31.25 3kox s GLU 121 CO 0.23 0.27 0.00 0.41 -0.49 0.00 0.00 175.26 175.68 3kox n GLY 122 N 1.97 -0.77 2.35 -1.39 0.00 -1.26 -4.60 105.19 101.49 3kox n GLY 122 Ca -0.17 -2.11 -0.18 0.00 0.00 0.00 0.00 46.02 43.56 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 0.42 -1.92 2.61 -2.24 -1.26 -4.35 114.28 107.54 3kox n THR 123 Ca 0.00 -4.47 -0.29 0.00 -2.27 0.00 0.00 64.05 57.02 3kox n THR 123 Cb 0.00 -0.26 0.14 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.68 1.23 0.01 -0.78 0.04 -1.26 -2.87 135.00 128.70 3kox s PRO 124 Ca 0.39 -0.18 -0.22 0.00 0.04 0.00 0.00 61.00 61.03 3kox s PRO 124 Cb 0.36 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.96 3kox s PRO 124 CO -0.07 -2.05 0.65 -1.14 0.04 0.00 0.00 177.00 174.43 3kox s GLN 125 N -5.75 4.38 0.84 4.56 0.74 -1.26 -4.65 119.66 118.51 3kox s GLN 125 Ca 0.69 0.84 -0.08 0.00 0.05 0.00 0.00 55.36 56.85 3kox s GLN 125 Cb -0.07 -3.36 0.16 0.00 1.10 0.00 0.00 33.01 30.85 3kox s GLN 125 CO 0.51 0.32 1.16 0.20 -0.55 0.00 0.00 175.29 176.93 3kox s GLY 126 N -0.08 1.77 -0.11 2.59 0.00 -0.21 -4.85 107.32 106.42 3kox s GLY 126 Ca 0.34 -1.45 -0.04 0.00 0.00 0.00 0.00 44.72 43.56 3kox s GLY 126 CO 0.19 -0.79 0.08 -0.42 0.00 0.00 0.00 173.10 172.16 3kox s ILE 127 N -3.51 -0.11 -1.79 0.90 1.01 -1.26 -4.71 121.20 111.74 3kox s ILE 127 Ca 0.70 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.46 3kox s ILE 127 Cb -0.05 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.04 3kox s ILE 127 CO 0.49 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3kox n GLY 128 N 5.29 0.68 0.00 6.18 0.00 -1.26 -0.92 105.19 115.16 3kox n GLY 128 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.64 -0.37 3.79 -0.02 0.00 -1.26 -4.63 105.19 102.06 3kox n GLY 129 Ca -0.20 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.00 5.41 -0.04 1.61 1.01 0.37 -3.23 120.40 123.53 3kox s VAL 130 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 3kox s VAL 130 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 3kox s VAL 130 CO 0.00 0.50 1.60 -2.84 0.00 0.00 0.00 175.10 174.36 3kox s PRO 131 N -0.17 4.20 -0.24 2.72 0.02 -1.26 -1.94 135.00 138.33 3kox s PRO 131 Ca 0.12 2.15 -0.23 0.00 0.02 0.00 0.00 61.00 63.06 3kox s PRO 131 Cb -0.12 -3.87 -0.01 0.00 0.02 0.00 0.00 34.50 30.52 3kox s PRO 131 CO 0.02 -0.79 0.76 0.42 -0.33 0.00 0.00 177.00 177.07 3kox s ILE 132 N 3.63 4.90 0.02 2.83 -1.09 -1.26 -4.88 121.20 125.35 3kox s ILE 132 Ca 0.71 1.41 -0.06 0.00 -2.23 0.00 0.00 60.65 60.49 3kox s ILE 132 Cb -0.33 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.49 3kox s ILE 132 CO 0.29 -0.03 0.10 0.42 -1.23 0.00 0.00 174.94 174.49 3kox s THR 133 N 2.65 0.11 0.55 2.92 -4.23 -1.26 -4.46 115.64 111.91 3kox s THR 133 Ca 0.32 -0.88 0.25 0.00 -1.18 0.00 0.00 61.69 60.20 3kox s THR 133 Cb -0.15 -0.59 0.37 0.00 1.34 0.00 0.00 72.50 73.47 3kox s THR 133 CO 0.08 -0.48 2.03 -0.09 -0.54 0.00 0.00 174.62 175.61 3kox h ARG 134 N 4.07 0.00 0.34 3.99 2.43 -1.91 0.69 114.38 123.99 3kox h ARG 134 Ca -0.32 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 3kox h ARG 134 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3kox h ARG 134 CO 0.44 0.00 -0.16 -0.22 -1.51 0.00 0.00 179.97 178.52 3kox h LYS 135 N 0.00 -0.44 -0.64 0.20 3.64 -1.84 -0.54 116.57 116.95 3kox h LYS 135 Ca 0.18 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3kox h LYS 135 Cb 0.80 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 3kox h LYS 135 CO -0.00 -0.12 0.24 0.37 -2.27 0.00 0.00 179.45 177.66 3kox h GLN 136 N -0.78 0.97 -0.97 1.90 -0.00 -1.34 -1.94 115.11 112.95 3kox h GLN 136 Ca -0.05 -0.19 0.04 0.00 -0.00 0.00 0.00 58.65 58.45 3kox h GLN 136 Cb 0.51 -0.15 -0.06 0.00 0.00 0.00 0.00 27.48 27.79 3kox h GLN 136 CO 0.08 0.83 0.63 0.28 0.00 0.00 0.00 178.83 180.65 3kox h VAL 137 N 0.91 1.16 -0.01 2.39 2.07 0.31 -2.39 116.25 120.68 3kox h VAL 137 Ca 0.21 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3kox h VAL 137 Cb 0.23 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 3kox h VAL 137 CO -0.01 0.22 0.00 0.03 0.02 0.00 0.00 177.57 177.83 3kox h ARG 138 N 1.22 0.02 -0.23 1.57 3.08 -0.35 -1.68 114.38 118.02 3kox h ARG 138 Ca 0.39 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.48 3kox h ARG 138 Cb 0.01 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 3kox h ARG 138 CO -0.13 0.29 -0.48 0.00 -1.07 0.00 0.00 179.97 178.58 3kox h ALA 139 N 0.74 -0.68 -0.36 0.04 0.00 -1.34 0.11 119.26 117.77 3kox h ALA 139 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3kox h ALA 139 Cb 0.27 0.93 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3kox h ALA 139 CO 0.00 -0.98 -0.13 1.96 0.00 0.00 0.00 179.25 180.10 3kox h GLN 140 N -0.48 0.62 0.00 0.00 4.20 -1.36 0.13 115.11 118.23 3kox h GLN 140 Ca 0.08 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 3kox h GLN 140 Cb 0.63 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3kox h GLN 140 CO -0.48 0.73 -0.56 -0.09 -0.67 0.00 0.00 178.83 177.76 3kox h ARG 141 N 0.57 0.00 -0.07 1.46 9.65 -0.93 -0.98 114.38 124.08 3kox h ARG 141 Ca 0.10 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.91 3kox h ARG 141 Cb 0.55 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3kox h ARG 141 CO 0.03 0.56 -0.22 -0.22 2.80 0.00 0.00 179.97 182.93 3kox h LYS 142 N 0.00 0.27 -0.91 0.20 3.64 0.10 -1.56 116.57 118.30 3kox h LYS 142 Ca -0.01 -0.20 0.14 0.00 -1.27 0.00 0.00 60.65 59.32 3kox h LYS 142 Cb 1.26 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 33.03 3kox h LYS 142 CO 0.07 0.82 0.52 0.00 -2.27 0.00 0.00 179.45 178.59 3kox h ALA 143 N 0.44 1.40 0.00 5.00 0.00 -0.62 -2.59 119.26 122.90 3kox h ALA 143 Ca -0.01 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3kox h ALA 143 Cb 0.84 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3kox h ALA 143 CO 0.05 0.01 -0.74 -0.07 0.00 0.00 0.00 179.25 178.50 3kox h LEU 144 N 0.76 0.00 -0.80 0.00 3.38 -0.98 -1.02 115.31 116.64 3kox h LEU 144 Ca 0.49 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.55 3kox h LEU 144 Cb 0.63 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 3kox h LEU 144 CO -0.33 0.74 0.45 0.44 0.09 0.00 0.00 178.44 179.83 3kox h ASP 145 N 0.00 0.65 0.38 -0.43 3.32 -0.89 0.35 116.42 119.80 3kox h ASP 145 Ca -0.01 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3kox h ASP 145 Cb 1.49 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.97 3kox h ASP 145 CO 0.10 0.37 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.73 3kox h LEU 146 N 0.77 -0.44 -0.97 1.55 3.38 -1.07 -2.89 115.31 115.64 3kox h LEU 146 Ca 0.39 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.65 3kox h LEU 146 Cb 0.35 0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.04 3kox h LEU 146 CO -0.25 -0.15 0.10 0.40 0.09 0.00 0.00 178.44 178.63 3kox h ILE 147 N -0.84 0.06 0.00 1.22 2.04 -1.25 -0.57 117.51 118.17 3kox h ILE 147 Ca -0.05 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 3kox h ILE 147 Cb 0.39 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3kox h ILE 147 CO 0.09 0.01 -0.48 1.05 0.00 0.00 0.00 178.15 178.81 3kox h GLU 148 N 0.03 0.00 -0.45 2.37 4.11 -0.31 -1.66 114.58 118.66 3kox h GLU 148 Ca 0.61 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.99 3kox h GLU 148 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 3kox h GLU 148 CO -0.87 0.48 0.08 1.49 0.07 0.00 0.00 179.01 180.26 3kox h GLU 149 N 0.00 0.75 -0.05 1.06 4.81 -0.93 -1.00 114.58 119.22 3kox h GLU 149 Ca -0.00 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3kox h GLU 149 Cb 0.96 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 3kox h GLU 149 CO 0.06 0.76 0.01 1.49 -0.73 0.00 0.00 179.01 180.61 3kox h GLU 150 N 0.61 0.07 0.00 1.92 4.81 -0.36 -2.88 114.58 118.75 3kox h GLU 150 Ca 0.14 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kox h GLU 150 Cb 0.38 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3kox h GLU 150 CO 0.01 0.26 -0.21 -0.39 -0.73 0.00 0.00 179.01 177.94 3kox h VAL 151 N -0.13 0.00 0.00 0.32 -1.51 -1.48 -3.35 116.25 110.10 3kox h VAL 151 Ca 0.01 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 3kox h VAL 151 Cb 0.21 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3kox h VAL 151 CO -0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3kox n GLY 152 N 1.18 0.76 3.41 5.19 0.00 -0.45 -1.20 105.19 114.08 3kox n GLY 152 Ca 0.04 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 0.61 0.31 1.61 3.52 -0.76 -4.67 118.95 117.56 3kox s ARG 153 Ca 0.00 0.68 -0.29 0.00 -0.13 0.00 0.00 55.73 55.99 3kox s ARG 153 Cb 0.00 0.29 -0.11 0.00 -1.56 0.00 0.00 34.95 33.58 3kox s ARG 153 CO 0.00 -0.08 1.51 -2.14 -0.81 0.00 0.00 175.30 173.79 3kox s PRO 154 N 0.21 4.16 -0.26 5.12 0.01 -1.26 -4.65 135.00 138.33 3kox s PRO 154 Ca -0.01 2.50 -0.04 0.00 0.01 0.00 0.00 61.00 63.46 3kox s PRO 154 Cb -0.04 -3.03 0.01 0.00 0.01 0.00 0.00 34.50 31.46 3kox s PRO 154 CO 0.01 -0.53 0.01 0.42 0.01 0.00 0.00 177.00 176.92 3kox s ILE 155 N -0.38 3.48 0.10 2.83 1.01 -1.26 -4.86 121.20 122.11 3kox s ILE 155 Ca 0.59 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 60.17 3kox s ILE 155 Cb -0.46 -2.74 -0.08 0.00 0.01 0.00 0.00 42.46 39.19 3kox s ILE 155 CO 0.51 0.20 1.46 0.20 0.00 0.00 0.00 174.94 177.31 3kox s ASN 156 N 1.44 6.76 0.03 3.58 0.01 -0.47 -4.93 114.94 121.35 3kox s ASN 156 Ca 0.02 2.37 -0.01 0.00 -0.71 0.00 0.00 52.86 54.53 3kox s ASN 156 Cb -0.16 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 3kox s ASN 156 CO -0.01 -0.73 0.17 -0.47 -1.51 0.00 0.00 177.10 174.56 3kox s TYR 157 N 1.53 3.48 -0.27 2.20 5.04 -1.26 -0.87 117.35 127.20 3kox s TYR 157 Ca 0.67 0.28 -0.15 0.00 -2.44 0.00 0.00 57.07 55.42 3kox s TYR 157 Cb -0.38 -1.78 0.08 0.00 0.35 0.00 0.00 41.96 40.24 3kox s TYR 157 CO 0.30 0.61 0.67 -1.58 -1.34 0.00 0.00 175.55 174.20 3kox s HIS 158 N -1.39 -1.03 0.00 4.97 5.65 -0.80 -1.05 115.29 121.65 3kox s HIS 158 Ca 0.30 2.07 0.00 0.00 0.25 0.00 0.00 55.06 57.68 3kox s HIS 158 Cb -0.13 0.61 0.00 0.00 -1.18 0.00 0.00 32.58 31.88 3kox s HIS 158 CO 0.22 -0.51 0.00 0.45 -0.65 0.00 0.00 174.74 174.25 3kox n SER 159 N 4.31 0.00 -4.44 9.88 2.88 -1.10 -0.55 113.62 124.60 3kox n SER 159 Ca -0.20 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.01 3kox n SER 159 Cb 0.59 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 -0.65 2.87 -2.66 0.66 2.02 -1.26 -2.07 117.35 116.26 3kox s TYR 160 Ca 0.00 -0.41 0.25 0.00 -0.37 0.00 0.00 57.07 56.53 3kox s TYR 160 Cb 0.00 -1.83 0.32 0.00 -0.40 0.00 0.00 41.96 40.05 3kox s TYR 160 CO 0.00 -0.05 1.32 0.28 -1.57 0.00 0.00 175.55 175.53 3kox n VAL 161 N 3.21 0.00 -0.89 0.71 0.31 0.25 -4.91 118.33 117.01 3kox n VAL 161 Ca -0.18 -0.39 -0.33 0.00 -0.01 0.00 0.00 64.34 63.43 3kox n VAL 161 Cb 0.53 1.23 0.12 0.00 -0.91 0.00 0.00 33.84 34.81 3kox n VAL 161 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kox n SER 162 N 0.78 -1.07 0.00 4.52 7.64 -1.23 -4.10 113.62 120.15 3kox n SER 162 Ca 0.14 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.44 3kox n SER 162 Cb 0.52 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 3kox n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kox n GLY 163 N 1.16 -0.37 0.01 0.23 0.00 -1.26 -4.60 105.19 100.36 3kox n GLY 163 Ca 0.09 -2.23 0.14 0.00 0.00 0.00 0.00 46.02 44.02 3kox n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kox n VAL 164 N 0.00 0.00 -1.57 1.61 0.24 0.16 -3.70 118.33 115.06 3kox n VAL 164 Ca 0.00 -0.01 0.06 0.00 -2.04 0.00 0.00 64.34 62.36 3kox n VAL 164 Cb 0.00 -0.31 0.21 0.00 -1.47 0.00 0.00 33.84 32.27 3kox n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kox n ALA 165 N -1.42 3.60 0.03 2.33 0.00 -1.26 -4.82 120.51 118.96 3kox n ALA 165 Ca 0.08 -3.27 -0.11 0.00 0.00 0.00 0.00 53.44 50.14 3kox n ALA 165 Cb 0.32 -0.35 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 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 0.95 -0.51 1.32 0.00 0.00 -1.71 -1.43 103.07 101.69 3kox h GLY 166 Ca -0.00 0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 3kox h GLY 166 CO 0.00 -0.23 0.42 -2.55 0.00 0.00 0.00 176.54 174.18 3kox h PRO 167 N -0.44 0.91 0.36 4.80 0.11 -1.87 0.28 132.00 136.15 3kox h PRO 167 Ca 0.08 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kox h PRO 167 Cb 0.56 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3kox h PRO 167 CO -0.32 0.63 -0.32 -0.44 -0.21 0.00 0.00 178.00 177.34 3kox h ASP 168 N 0.93 -0.85 -0.83 -2.05 3.45 -1.85 -2.43 116.42 112.78 3kox h ASP 168 Ca 0.25 0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.74 3kox h ASP 168 Cb -0.05 0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 3kox h ASP 168 CO -0.05 -0.47 0.37 0.40 -1.57 0.00 0.00 179.24 177.92 3kox h ILE 169 N -0.70 1.26 -0.55 0.35 2.04 -0.66 -2.48 117.51 116.78 3kox h ILE 169 Ca -0.03 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 3kox h ILE 169 Cb 0.62 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3kox h ILE 169 CO -0.04 0.33 0.24 0.00 0.00 0.00 0.00 178.15 178.68 3kox h ALA 170 N 1.20 1.40 0.42 1.87 0.00 -0.29 0.06 119.26 123.92 3kox h ALA 170 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kox h ALA 170 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kox h ALA 170 CO -0.03 0.46 -0.20 0.28 0.00 0.00 0.00 179.25 179.76 3kox h VAL 171 N 0.77 0.59 -0.29 0.00 2.07 -0.99 0.62 116.25 119.02 3kox h VAL 171 Ca 0.19 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3kox h VAL 171 Cb 0.11 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3kox h VAL 171 CO -0.02 0.01 0.18 -0.03 0.02 0.00 0.00 177.57 177.73 3kox h MET 172 N -0.59 0.37 -0.64 1.57 -1.53 -1.18 0.52 114.93 113.45 3kox h MET 172 Ca -0.06 -0.02 0.11 0.00 -3.44 0.00 0.00 59.70 56.29 3kox h MET 172 Cb 0.45 -0.08 -0.08 0.00 -0.55 0.00 0.00 31.60 31.33 3kox h MET 172 CO 0.09 0.24 0.21 0.74 0.14 0.00 0.00 176.91 178.33 3kox h PHE 173 N 0.38 0.35 -0.50 1.39 -1.00 -0.97 0.13 116.94 116.71 3kox h PHE 173 Ca 0.11 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.85 3kox h PHE 173 Cb -0.03 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 3kox h PHE 173 CO -0.06 0.04 0.03 0.00 -1.61 0.00 0.00 178.31 176.70 3kox h ALA 174 N 1.47 0.68 -0.32 2.45 0.00 0.91 -1.44 119.26 123.01 3kox h ALA 174 Ca 0.34 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kox h ALA 174 Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3kox h ALA 174 CO -0.37 0.46 0.20 0.93 0.00 0.00 0.00 179.25 180.47 3kox h GLU 175 N 0.74 0.39 -0.68 0.00 5.08 0.62 -3.25 114.58 117.49 3kox h GLU 175 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3kox h GLU 175 Cb 0.48 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3kox h GLU 175 CO 0.02 0.26 0.00 0.39 -1.00 0.00 0.00 179.01 178.68 3kox n GLU 176 N -4.89 3.53 -2.48 2.33 -0.58 0.38 -4.83 120.64 114.09 3kox n GLU 176 Ca -0.01 -2.18 -0.15 0.00 -0.42 0.00 0.00 57.16 54.40 3kox n GLU 176 Cb 0.04 -1.95 0.01 0.00 -0.57 0.00 0.00 31.44 28.97 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 0.59 -0.21 3.73 0.62 0.00 -0.79 -4.78 105.19 104.35 3kox n GLY 177 Ca 0.19 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.83 3.21 -0.11 1.61 1.01 -0.61 -4.74 120.40 117.93 3kox s VAL 178 Ca 0.09 0.96 0.17 0.00 0.00 0.00 0.00 61.98 63.19 3kox s VAL 178 Cb -0.04 -3.61 -0.21 0.00 0.00 0.00 0.00 36.38 32.52 3kox s VAL 178 CO 0.11 0.13 0.55 0.59 0.00 0.00 0.00 175.10 176.47 3kox n ASN 179 N 2.97 0.55 -3.81 3.32 4.13 -0.21 -4.69 115.26 117.51 3kox n ASN 179 Ca 0.08 0.25 -0.12 0.00 1.68 0.00 0.00 54.58 56.46 3kox n ASN 179 Cb 0.43 0.50 -0.10 0.00 -1.54 0.00 0.00 39.78 39.06 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 -5.03 -0.09 0.06 7.41 0.00 -0.33 -2.45 107.32 106.89 3kox s GLY 180 Ca -0.06 0.30 -0.09 0.00 0.00 0.00 0.00 44.72 44.88 3kox s GLY 180 CO 0.83 0.17 0.19 0.00 0.00 0.00 0.00 173.10 174.29 3kox s ALA 181 N -0.73 -0.30 -0.15 3.20 0.00 -0.21 -2.71 121.76 120.85 3kox s ALA 181 Ca -0.08 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.22 3kox s ALA 181 Cb -0.05 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 3kox s ALA 181 CO 0.02 -0.41 0.80 -1.01 0.00 0.00 0.00 175.76 175.16 3kox s HIS 182 N -3.02 3.45 -0.13 0.00 3.76 -0.88 -2.05 115.29 116.41 3kox s HIS 182 Ca -0.02 1.25 -0.06 0.00 -0.15 0.00 0.00 55.06 56.08 3kox s HIS 182 Cb 0.01 -2.97 0.06 0.00 1.11 0.00 0.00 32.58 30.79 3kox s HIS 182 CO -0.06 -0.18 0.30 -1.14 -0.85 0.00 0.00 174.74 172.80 3kox s GLN 183 N 1.91 0.23 -0.30 1.40 -0.44 -0.84 -0.58 119.66 121.04 3kox s GLN 183 Ca 0.38 0.70 -0.01 0.00 -2.50 0.00 0.00 55.36 53.93 3kox s GLN 183 Cb -0.17 -0.03 0.19 0.00 -1.64 0.00 0.00 33.01 31.36 3kox s GLN 183 CO 0.14 -0.21 0.61 0.34 0.50 0.00 0.00 175.29 176.66 3kox s ASP 184 N 1.80 -1.37 0.59 6.67 -1.08 -1.26 -4.55 116.67 117.48 3kox s ASP 184 Ca -0.05 0.88 0.30 0.00 -0.52 0.00 0.00 52.55 53.16 3kox s ASP 184 Cb -0.11 2.16 1.82 0.00 -1.46 0.00 0.00 42.92 45.33 3kox s ASP 184 CO -0.10 -0.26 2.24 1.55 0.52 0.00 0.00 175.17 179.12 3kox h PRO 185 N 8.00 0.00 -0.65 4.34 0.13 -1.97 -1.58 132.00 140.27 3kox h PRO 185 Ca -0.23 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.82 3kox h PRO 185 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 3kox h PRO 185 CO 0.25 0.00 0.09 1.96 -0.23 0.00 0.00 178.00 180.07 3kox h GLN 186 N 0.00 1.07 -0.34 0.86 4.20 -1.95 -2.93 115.11 116.01 3kox h GLN 186 Ca 0.01 -0.29 0.06 0.00 0.06 0.00 0.00 58.65 58.50 3kox h GLN 186 Cb 0.08 -0.12 -0.08 0.00 0.30 0.00 0.00 27.48 27.65 3kox h GLN 186 CO -0.00 0.99 -0.43 -0.92 -0.67 0.00 0.00 178.83 177.79 3kox h TYR 187 N 1.00 -1.27 -0.99 2.96 3.20 -1.64 0.19 116.97 120.42 3kox h TYR 187 Ca 0.20 0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.21 3kox h TYR 187 Cb 0.45 0.60 -0.07 0.00 1.54 0.00 0.00 36.73 39.25 3kox h TYR 187 CO 0.03 -0.45 0.64 -0.91 -1.64 0.00 0.00 178.16 175.83 3kox h ASN 188 N -0.37 1.00 0.26 -2.11 2.35 -1.58 -0.14 115.58 115.00 3kox h ASN 188 Ca 0.12 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3kox h ASN 188 Cb 0.59 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3kox h ASN 188 CO -0.53 0.61 -0.13 0.58 -1.65 0.00 0.00 177.43 176.31 3kox h VAL 189 N 1.12 0.10 -0.24 2.81 2.07 -1.29 0.15 116.25 120.96 3kox h VAL 189 Ca 0.45 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3kox h VAL 189 Cb 0.25 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3kox h VAL 189 CO -0.20 0.03 -0.02 -0.07 0.02 0.00 0.00 177.57 177.33 3kox h LEU 190 N -1.08 0.44 0.00 2.57 3.38 -0.33 -2.23 115.31 118.06 3kox h LEU 190 Ca -0.04 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 3kox h LEU 190 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3kox h LEU 190 CO 0.06 0.67 -1.76 -1.22 0.09 0.00 0.00 178.44 176.27 3kox n TYR 191 N -4.61 0.00 0.01 1.13 4.01 -0.09 -4.36 117.16 113.25 3kox n TYR 191 Ca -0.04 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.76 3kox n TYR 191 Cb 0.26 -0.43 0.12 0.00 -0.31 0.00 0.00 39.34 38.98 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 -2.14 2.18 -4.03 -0.72 5.12 -1.17 -5.03 116.66 110.87 3kox n ARG 192 Ca -0.07 -1.76 -0.32 0.00 -1.93 0.00 0.00 57.85 53.77 3kox n ARG 192 Cb 0.52 -1.24 -0.02 0.00 -1.16 0.00 0.00 32.46 30.56 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 0.50 -1.50 -4.89 0.55 5.15 -0.84 -4.80 115.26 109.43 3kox n ASN 193 Ca 0.10 -1.14 -0.34 0.00 -0.60 0.00 0.00 54.58 52.60 3kox n ASN 193 Cb 0.37 -2.46 -0.05 0.00 -0.53 0.00 0.00 39.78 37.11 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 -3.91 5.30 0.20 -1.44 1.01 0.49 -1.16 121.20 121.68 3kox s ILE 194 Ca 0.17 0.06 -0.32 0.00 0.00 0.00 0.00 60.65 60.56 3kox s ILE 194 Cb -0.08 -3.58 -0.12 0.00 0.01 0.00 0.00 42.46 38.69 3kox s ILE 194 CO 0.93 0.29 1.71 -3.20 0.00 0.00 0.00 174.94 174.66 3kox n ASN 195 N 0.85 3.88 -0.29 3.58 2.85 0.13 -4.03 115.26 122.23 3kox n ASN 195 Ca -0.09 1.06 -0.03 0.00 -0.11 0.00 0.00 54.58 55.42 3kox n ASN 195 Cb 0.52 -1.55 0.14 0.00 1.24 0.00 0.00 39.78 40.13 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 6.69 1.15 -0.34 1.20 -0.00 -1.83 -0.18 114.93 121.62 3kox h MET 196 Ca -0.43 -0.13 -0.08 0.00 -0.00 0.00 0.00 59.70 59.05 3kox h MET 196 Cb 1.21 -0.23 -0.01 0.00 -0.00 0.00 0.00 31.60 32.57 3kox h MET 196 CO 0.95 0.84 -0.12 0.82 -0.00 0.00 0.00 176.91 179.40 3kox h ILE 197 N 1.16 1.28 -0.88 -0.10 2.04 -1.90 -2.39 117.51 116.72 3kox h ILE 197 Ca 0.29 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3kox h ILE 197 Cb 0.02 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3kox h ILE 197 CO -0.05 0.39 0.52 -0.09 0.00 0.00 0.00 178.15 178.93 3kox h ARG 198 N 0.46 1.21 -0.50 2.37 9.65 -1.83 -2.26 114.38 123.48 3kox h ARG 198 Ca 0.08 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 3kox h ARG 198 Cb 0.63 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 3kox h ARG 198 CO 0.04 0.86 0.10 1.03 2.80 0.00 0.00 179.97 184.80 3kox h SER 199 N 1.22 0.78 0.62 -3.80 0.87 -0.66 0.00 113.55 112.57 3kox h SER 199 Ca 0.32 -0.25 -0.23 0.00 -1.23 0.00 0.00 61.79 60.40 3kox h SER 199 Cb -0.03 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3kox h SER 199 CO -0.06 0.83 -1.04 -0.26 -0.53 0.00 0.00 176.83 175.77 3kox h PHE 200 N 0.70 0.38 0.33 2.24 -1.00 -1.38 -2.02 116.94 116.19 3kox h PHE 200 Ca 0.15 -0.24 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 3kox h PHE 200 Cb 0.37 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.90 3kox h PHE 200 CO 0.03 1.12 -0.16 0.82 -1.61 0.00 0.00 178.31 178.50 3kox h ILE 201 N 0.10 0.69 -0.93 -0.55 2.04 -1.25 -2.51 117.51 115.09 3kox h ILE 201 Ca -0.08 -0.39 0.19 0.00 1.00 0.00 0.00 64.86 65.59 3kox h ILE 201 Cb 1.72 0.89 -0.11 0.00 -0.74 0.00 0.00 36.82 38.58 3kox h ILE 201 CO 0.16 0.08 0.50 0.44 0.00 0.00 0.00 178.15 179.33 3kox h ASP 202 N -0.66 0.57 0.44 1.72 5.19 -1.07 -2.65 116.42 119.96 3kox h ASP 202 Ca -0.05 0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 3kox h ASP 202 Cb 0.47 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 3kox h ASP 202 CO 0.07 0.16 -0.32 0.00 -3.12 0.00 0.00 179.24 176.03 3kox h ALA 203 N 1.65 1.31 -0.47 3.45 0.00 -0.93 -0.88 119.26 123.38 3kox h ALA 203 Ca 0.55 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3kox h ALA 203 Cb 0.91 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3kox h ALA 203 CO -0.43 0.41 0.26 0.00 0.00 0.00 0.00 179.25 179.49 3kox h GLU 205 N 0.62 -0.31 -0.20 0.00 4.57 -1.29 -2.02 114.58 115.94 3kox h GLU 205 Ca 0.17 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.42 3kox h GLU 205 Cb 0.04 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 3kox h GLU 205 CO -0.03 -0.00 -0.16 0.77 -1.18 0.00 0.00 179.01 178.41 3kox h SER 206 N -0.64 -0.52 0.43 1.04 0.02 -1.14 0.45 113.55 113.19 3kox h SER 206 Ca -0.03 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3kox h SER 206 Cb 0.46 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3kox h SER 206 CO 0.05 -0.20 -0.26 0.11 -1.14 0.00 0.00 176.83 175.39 3kox h LYS 207 N -0.17 0.00 -0.26 3.45 1.57 -0.59 -2.08 116.57 118.48 3kox h LYS 207 Ca 0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3kox h LYS 207 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3kox h LYS 207 CO -0.31 0.26 -0.42 1.15 -0.57 0.00 0.00 179.45 179.57 3kox h THR 208 N 0.00 1.30 -0.90 -0.16 2.02 -0.21 -2.29 112.91 112.67 3kox h THR 208 Ca -0.00 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.56 3kox h THR 208 Cb 0.55 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 3kox h THR 208 CO 0.03 0.52 0.56 0.40 0.37 0.00 0.00 175.52 177.40 3kox h ILE 209 N 0.49 1.24 -0.11 3.11 2.04 -0.82 -1.97 117.51 121.49 3kox h ILE 209 Ca 0.02 -0.49 -0.17 0.00 1.00 0.00 0.00 64.86 65.21 3kox h ILE 209 Cb 1.01 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3kox h ILE 209 CO 0.10 0.25 -0.67 0.24 0.00 0.00 0.00 178.15 178.06 3kox h MET 210 N 1.23 0.44 -0.63 2.37 2.86 -1.33 -2.44 114.93 117.43 3kox h MET 210 Ca 0.33 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3kox h MET 210 Cb -0.09 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3kox h MET 210 CO -0.06 0.95 0.07 0.00 1.06 0.00 0.00 176.91 178.93 3kox h ALA 211 N 0.96 0.84 -0.86 6.32 0.00 -1.04 -1.82 119.26 123.66 3kox h ALA 211 Ca -0.02 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3kox h ALA 211 Cb 1.23 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3kox h ALA 211 CO 0.12 0.63 0.56 2.35 0.00 0.00 0.00 179.25 182.90 3kox h TRP 212 N 0.97 1.05 0.00 0.00 7.01 -1.13 -1.55 115.95 122.31 3kox h TRP 212 Ca 0.19 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.21 3kox h TRP 212 Cb 0.47 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 3kox h TRP 212 CO 0.03 0.61 0.00 0.00 -2.79 0.00 0.00 178.44 176.29 3kox n ALA 213 N -2.34 2.47 -3.68 2.65 0.00 -0.94 -4.88 120.51 113.78 3kox n ALA 213 Ca 0.11 -0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 3kox n ALA 213 Cb 0.08 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.03 -1.59 -4.86 0.00 2.03 -0.58 -3.58 116.55 106.93 3kox n ASP 214 Ca 0.19 -0.79 -0.35 0.00 0.52 0.00 0.00 54.79 54.36 3kox n ASP 214 Cb 0.10 -4.19 -0.06 0.00 -0.72 0.00 0.00 41.12 36.26 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 -5.95 3.82 0.35 -0.67 -1.94 -0.71 -2.23 119.30 111.98 3kox s MET 215 Ca 0.06 0.26 -0.19 0.00 -1.71 0.00 0.00 55.69 54.11 3kox s MET 215 Cb -0.03 -2.99 -0.10 0.00 2.01 0.00 0.00 34.83 33.73 3kox s MET 215 CO 0.80 0.54 0.83 0.00 -0.01 0.00 0.00 175.02 177.19 3kox s ALA 216 N -1.41 3.21 -0.14 3.03 0.00 -1.02 -4.79 121.76 120.64 3kox s ALA 216 Ca 0.34 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.55 3kox s ALA 216 Cb -0.14 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.04 3kox s ALA 216 CO 0.18 0.24 -0.20 -1.14 0.00 0.00 0.00 175.76 174.84 3kox s GLN 217 N -2.89 2.83 -0.21 0.00 0.74 0.98 -1.05 119.66 120.06 3kox s GLN 217 Ca 0.56 -0.78 -0.10 0.00 0.05 0.00 0.00 55.36 55.09 3kox s GLN 217 Cb -0.11 -2.33 -0.05 0.00 1.10 0.00 0.00 33.01 31.62 3kox s GLN 217 CO 0.17 -0.06 0.14 0.42 -0.55 0.00 0.00 175.29 175.40 3kox s ILE 218 N 0.94 5.40 0.10 -2.34 1.01 -0.87 0.80 121.20 126.24 3kox s ILE 218 Ca -0.05 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 3kox s ILE 218 Cb -0.15 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.87 3kox s ILE 218 CO -0.04 0.42 0.12 -0.90 0.00 0.00 0.00 174.94 174.54 3kox n ASP 219 N 3.68 -0.28 -0.39 3.58 5.68 -0.85 -1.99 116.55 125.99 3kox n ASP 219 Ca -0.16 -0.92 0.03 0.00 -0.50 0.00 0.00 54.79 53.25 3kox n ASP 219 Cb 0.52 -0.10 0.09 0.00 -1.14 0.00 0.00 41.12 40.49 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 3.56 2.61 0.36 6.12 0.00 -1.26 -4.61 105.19 111.97 3kox n GLY 223 Ca 0.02 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 1.28 1.73 -0.48 4.61 0.00 -1.94 -1.69 119.26 122.76 3kox h ALA 224 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.12 3kox h ALA 224 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3kox h ALA 224 CO 0.00 -0.09 0.58 1.12 0.00 0.00 0.00 179.25 180.86 3kox h HIS 225 N 0.74 0.00 -0.21 0.00 2.07 -1.86 0.30 115.15 116.19 3kox h HIS 225 Ca 0.57 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 58.03 3kox h HIS 225 Cb 0.93 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.89 3kox h HIS 225 CO -0.00 0.00 -0.11 -0.91 -3.07 0.00 0.00 177.93 173.83 3kox h ASN 226 N 0.00 0.31 -0.33 3.10 2.35 -1.69 -2.59 115.58 116.73 3kox h ASN 226 Ca 0.23 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3kox h ASN 226 Cb 1.39 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.66 3kox h ASN 226 CO -0.00 0.46 0.20 0.00 -1.65 0.00 0.00 177.43 176.44 3kox h ALA 227 N 1.57 1.69 -0.18 -0.83 0.00 -0.59 -2.34 119.26 118.58 3kox h ALA 227 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kox h ALA 227 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kox h ALA 227 CO 0.02 0.27 0.05 -0.91 0.00 0.00 0.00 179.25 178.68 3kox h ASN 228 N 0.48 0.05 0.70 0.00 4.21 -1.57 -2.66 115.58 116.79 3kox h ASN 228 Ca 0.13 0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.57 3kox h ASN 228 Cb 0.00 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 3kox h ASN 228 CO -0.02 0.05 -0.43 0.00 -1.29 0.00 0.00 177.43 175.74 3kox h ALA 229 N 1.12 1.05 -0.01 -0.83 0.00 -1.42 -2.99 119.26 116.18 3kox h ALA 229 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kox h ALA 229 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kox h ALA 229 CO -0.09 0.54 -0.39 0.25 0.00 0.00 0.00 179.25 179.56 3kox n THR 230 N -3.69 0.00 -2.31 0.00 -2.24 -0.98 -4.93 114.28 100.13 3kox n THR 230 Ca -0.01 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 3kox n THR 230 Cb 0.51 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.92 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 -2.10 3.46 0.08 6.98 0.00 -1.01 -4.95 121.76 124.21 3kox s ALA 231 Ca 0.15 1.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.95 3kox s ALA 231 Cb 0.15 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.74 3kox s ALA 231 CO 0.47 -0.40 1.62 0.00 0.00 0.00 0.00 175.76 177.45 3kox h ARG 232 N 4.04 0.19 -4.33 0.00 2.47 -1.88 -3.40 114.38 111.46 3kox h ARG 232 Ca -0.47 -0.03 -0.59 0.00 -1.26 0.00 0.00 59.98 57.63 3kox h ARG 232 Cb 1.22 -0.03 -0.38 0.00 -1.65 0.00 0.00 29.97 29.13 3kox h ARG 232 CO 0.69 0.28 -0.80 -1.21 0.56 0.00 0.00 179.97 179.49 3kox s GLU 233 N -5.59 1.66 0.54 0.04 8.01 -1.26 -5.02 118.70 117.08 3kox s GLU 233 Ca -0.14 -0.73 0.26 0.00 0.01 0.00 0.00 54.97 54.38 3kox s GLU 233 Cb 0.06 -2.28 1.56 0.00 -4.31 0.00 0.00 34.13 29.16 3kox s GLU 233 CO 0.69 -0.47 2.15 0.00 0.01 0.00 0.00 175.26 177.64 3kox h ALA 234 N 8.04 1.47 0.00 5.21 0.00 -1.81 0.19 119.26 132.36 3kox h ALA 234 Ca -0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3kox h ALA 234 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kox h ALA 234 CO 0.43 0.08 0.00 0.11 0.00 0.00 0.00 179.25 179.87 3kox h TRP 235 N 0.00 0.00 0.00 0.00 0.09 -1.96 -2.92 115.95 111.17 3kox h TRP 235 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3kox h TRP 235 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.41 3kox h TRP 235 CO 0.00 0.00 -0.04 1.63 0.09 0.00 0.00 178.44 180.12 3kox n LYS 236 N -3.08 0.22 0.00 0.12 5.02 0.06 -4.18 118.16 116.32 3kox n LYS 236 Ca 0.02 0.17 0.11 0.00 -2.02 0.00 0.00 58.31 56.59 3kox n LYS 236 Cb 0.38 -1.74 0.07 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.11 0.02 -0.34 -0.18 3.14 -1.10 -4.07 118.33 113.68 3kox n VAL 237 Ca 0.06 -0.03 0.21 0.00 -2.96 0.00 0.00 64.34 61.62 3kox n VAL 237 Cb 0.41 0.56 0.45 0.00 -1.06 0.00 0.00 33.84 34.21 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 0.45 -0.48 1.45 2.86 -1.73 -1.69 114.93 115.80 3kox h MET 238 Ca 0.00 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 3kox h MET 238 Cb 0.52 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3kox h MET 238 CO 0.00 0.30 -0.08 -1.35 1.06 0.00 0.00 176.91 176.84 3kox h PRO 239 N 0.46 0.90 -0.90 -0.22 0.11 -1.89 -2.05 132.00 128.41 3kox h PRO 239 Ca 0.65 -0.33 0.06 0.00 0.11 0.00 0.00 66.00 66.50 3kox h PRO 239 Cb 1.44 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.43 3kox h PRO 239 CO -0.43 0.97 0.57 1.49 -0.21 0.00 0.00 178.00 180.39 3kox h GLU 240 N 0.75 1.01 -0.18 1.05 4.81 -1.66 -2.68 114.58 117.68 3kox h GLU 240 Ca 0.13 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kox h GLU 240 Cb 0.62 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3kox h GLU 240 CO 0.04 0.67 0.12 -0.07 -0.73 0.00 0.00 179.01 179.04 3kox h LEU 241 N 1.04 0.21 -1.37 1.64 3.38 -1.01 0.80 115.31 120.01 3kox h LEU 241 Ca 0.39 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 3kox h LEU 241 Cb 0.16 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3kox h LEU 241 CO -0.17 0.15 0.30 0.24 0.09 0.00 0.00 178.44 179.05 3kox h MET 242 N 0.25 0.73 -0.31 1.13 2.86 -1.22 -1.78 114.93 116.59 3kox h MET 242 Ca 0.07 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 3kox h MET 242 Cb -0.03 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 3kox h MET 242 CO -0.02 0.53 -0.35 0.28 1.06 0.00 0.00 176.91 178.41 3kox h VAL 243 N 0.74 1.29 -0.38 -2.22 2.07 -0.89 -0.15 116.25 116.71 3kox h VAL 243 Ca 0.19 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 3kox h VAL 243 Cb 0.00 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3kox h VAL 243 CO -0.03 0.50 0.09 1.56 0.02 0.00 0.00 177.57 179.71 3kox h GLN 244 N 0.55 0.61 -0.54 1.57 4.20 -0.46 -0.67 115.11 120.37 3kox h GLN 244 Ca 0.04 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3kox h GLN 244 Cb 0.93 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 3kox h GLN 244 CO 0.08 0.64 0.36 0.45 -0.67 0.00 0.00 178.83 179.69 3kox h HIS 245 N 0.47 0.67 -0.08 2.96 3.86 -1.25 -1.83 115.15 119.96 3kox h HIS 245 Ca 0.12 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 3kox h HIS 245 Cb 0.30 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3kox h HIS 245 CO 0.02 0.42 -0.20 0.00 0.86 0.00 0.00 177.93 179.03 3kox h ALA 246 N 1.20 1.51 0.23 2.45 0.00 -0.43 -1.07 119.26 123.15 3kox h ALA 246 Ca 0.20 -0.23 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 3kox h ALA 246 Cb -0.08 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.67 3kox h ALA 246 CO -0.05 0.35 -1.48 -0.07 0.00 0.00 0.00 179.25 178.01 3kox h LEU 247 N 0.13 0.76 -0.57 0.00 3.38 -0.67 -2.00 115.31 116.34 3kox h LEU 247 Ca 0.02 -0.84 -0.16 0.00 0.09 0.00 0.00 57.88 56.99 3kox h LEU 247 Cb 0.43 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3kox h LEU 247 CO 0.03 1.67 -0.63 -1.13 0.09 0.00 0.00 178.44 178.47 3kox h ASN 248 N 0.13 0.37 0.16 -0.43 -1.24 -1.33 -1.41 115.58 111.83 3kox h ASN 248 Ca -0.25 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 56.53 3kox h ASN 248 Cb 2.14 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 41.08 3kox h ASN 248 CO 0.26 0.91 -0.08 0.28 -1.29 0.00 0.00 177.43 177.51 3kox h SER 249 N 0.24 -0.18 -0.23 1.15 0.02 -1.21 -0.92 113.55 112.43 3kox h SER 249 Ca -0.01 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.53 3kox h SER 249 Cb 1.16 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 3kox h SER 249 CO 0.10 0.30 -0.12 -0.29 -1.14 0.00 0.00 176.83 175.68 3kox h ILE 250 N -0.72 1.31 -0.80 3.27 6.09 -1.45 0.67 117.51 125.88 3kox h ILE 250 Ca -0.02 -1.20 0.13 0.00 -1.37 0.00 0.00 64.86 62.39 3kox h ILE 250 Cb 0.51 1.60 -0.14 0.00 0.47 0.00 0.00 36.82 39.27 3kox h ILE 250 CO 0.04 0.37 -0.38 0.15 -3.07 0.00 0.00 178.15 175.25 3kox h PHE 251 N 0.20 -1.09 -0.74 2.19 3.57 -1.31 -0.29 116.94 119.47 3kox h PHE 251 Ca 0.05 0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3kox h PHE 251 Cb 0.63 0.59 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 3kox h PHE 251 CO 0.06 -0.40 0.32 0.77 -2.23 0.00 0.00 178.31 176.84 3kox h SER 252 N -0.09 1.00 -0.72 0.41 0.02 -0.57 -0.98 113.55 112.62 3kox h SER 252 Ca 0.28 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3kox h SER 252 Cb 0.57 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3kox h SER 252 CO -0.84 0.88 0.21 0.25 -1.14 0.00 0.00 176.83 176.19 3kox h LEU 253 N 1.06 1.07 -0.56 5.07 5.85 -0.05 -2.47 115.31 125.29 3kox h LEU 253 Ca 0.25 -0.21 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 3kox h LEU 253 Cb 0.17 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3kox h LEU 253 CO -0.03 1.01 -0.67 0.11 -0.34 0.00 0.00 178.44 178.52 3kox h LYS 254 N 1.09 0.25 -0.49 1.25 1.79 0.18 -2.87 116.57 117.77 3kox h LYS 254 Ca 0.23 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 3kox h LYS 254 Cb 0.33 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 3kox h LYS 254 CO -0.00 0.82 0.27 0.28 -1.08 0.00 0.00 179.45 179.74 3kox h VAL 255 N 0.18 1.15 0.00 0.50 2.07 -1.19 -3.46 116.25 115.50 3kox h VAL 255 Ca -0.02 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3kox h VAL 255 Cb 1.20 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3kox h VAL 255 CO 0.10 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.47 3kox n GLY 256 N -1.31 0.30 3.74 2.17 0.00 -1.08 -4.93 105.19 104.08 3kox n GLY 256 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3kox n GLY 256 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kox n MET 257 N 0.00 1.51 -2.48 1.61 2.81 -0.94 -4.97 117.12 114.66 3kox n MET 257 Ca 0.00 0.57 -0.41 0.00 -1.81 0.00 0.00 57.70 56.05 3kox n MET 257 Cb 0.00 -2.57 -0.04 0.00 -0.71 0.00 0.00 33.22 29.91 3kox n MET 257 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3kox s LYS 258 N -3.04 4.57 0.25 0.03 1.02 -1.26 -4.51 119.74 116.80 3kox s LYS 258 Ca 0.75 1.76 -0.04 0.00 0.02 0.00 0.00 55.97 58.46 3kox s LYS 258 Cb -0.40 -3.26 0.51 0.00 -0.52 0.00 0.00 37.83 34.15 3kox s LYS 258 CO 0.46 0.05 1.65 -0.22 -0.92 0.00 0.00 175.35 176.37 3kox h LYS 259 N 5.05 0.18 0.00 1.68 3.64 -1.93 0.62 116.57 125.81 3kox h LYS 259 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3kox h LYS 259 Cb 1.21 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3kox h LYS 259 CO 0.72 0.12 0.00 -1.13 -2.27 0.00 0.00 179.45 176.89 3kox n SER 260 N -5.25 0.00 -0.51 4.20 3.41 -1.26 -0.94 113.62 113.27 3kox n SER 260 Ca 0.15 -0.60 0.06 0.00 -0.26 0.00 0.00 58.87 58.22 3kox n SER 260 Cb 0.52 -0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.00 2.16 -4.44 4.04 3.02 0.19 -4.86 115.26 114.37 3kox n ASN 261 Ca 0.15 -1.58 -0.43 0.00 -0.03 0.00 0.00 54.58 52.68 3kox n ASN 261 Cb 0.07 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.98 5.25 -0.15 2.41 1.01 -0.11 -0.02 121.20 128.61 3kox s ILE 262 Ca 0.16 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 3kox s ILE 262 Cb 0.10 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 3kox s ILE 262 CO 0.15 -0.40 -0.09 0.00 0.00 0.00 0.00 174.94 174.60 3kox s LEU 264 N 0.48 4.22 -0.59 0.00 1.02 -0.12 -2.00 118.68 121.68 3kox s LEU 264 Ca -0.07 1.20 -0.22 0.00 0.02 0.00 0.00 54.13 55.06 3kox s LEU 264 Cb -0.15 -3.21 0.06 0.00 0.02 0.00 0.00 46.19 42.91 3kox s LEU 264 CO 0.04 -0.32 0.89 -0.55 0.02 0.00 0.00 176.35 176.42 3kox s SER 265 N 1.07 6.25 -0.28 2.29 0.15 -1.26 -0.75 113.70 121.17 3kox s SER 265 Ca 0.39 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.29 3kox s SER 265 Cb -0.17 -2.40 0.08 0.00 -1.71 0.00 0.00 66.02 61.82 3kox s SER 265 CO 0.15 -1.26 0.04 0.28 1.20 0.00 0.00 173.24 173.65 3kox s THR 266 N 3.74 1.22 -0.20 6.45 -1.32 -0.30 -3.72 115.64 121.52 3kox s THR 266 Ca 0.24 -1.39 -0.11 0.00 -1.21 0.00 0.00 61.69 59.22 3kox s THR 266 Cb -0.16 -1.78 -0.05 0.00 -1.51 0.00 0.00 72.50 69.01 3kox s THR 266 CO 0.14 -0.45 0.18 -0.69 -2.21 0.00 0.00 174.62 171.59 3kox s VAL 267 N 1.48 5.37 0.08 5.08 1.01 -1.26 -2.72 120.40 129.44 3kox s VAL 267 Ca 0.04 0.29 -0.35 0.00 0.00 0.00 0.00 61.98 61.96 3kox s VAL 267 Cb -0.18 -3.52 -0.14 0.00 0.00 0.00 0.00 36.38 32.54 3kox s VAL 267 CO -0.15 0.40 1.60 -2.65 0.00 0.00 0.00 175.10 174.30 3kox n PRO 268 N 3.74 1.94 0.26 2.72 -0.02 -1.26 -4.87 135.00 137.51 3kox n PRO 268 Ca -0.15 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.19 3kox n PRO 268 Cb 0.52 -2.46 0.56 0.00 -0.02 0.00 0.00 33.50 32.10 3kox n PRO 268 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kox h PRO 269 N 6.33 0.00 -5.23 0.52 0.11 -1.92 -3.43 132.00 128.38 3kox h PRO 269 Ca -0.46 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.22 3kox h PRO 269 Cb 1.27 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 3kox h PRO 269 CO 0.88 0.05 -0.65 0.95 -0.21 0.00 0.00 178.00 179.02 3kox s THR 270 N -3.59 1.23 0.05 -1.15 -4.23 -1.26 -4.56 115.64 102.13 3kox s THR 270 Ca 0.02 -2.05 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 3kox s THR 270 Cb 0.09 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 3kox s THR 270 CO 0.58 -0.23 0.11 0.00 -0.54 0.00 0.00 174.62 174.54 3kox s ALA 271 N -3.28 -0.06 0.41 3.99 0.00 -1.26 -4.85 121.76 116.71 3kox s ALA 271 Ca 0.31 -0.62 -0.24 0.00 0.00 0.00 0.00 51.96 51.41 3kox s ALA 271 Cb 0.06 0.30 -0.12 0.00 0.00 0.00 0.00 23.12 23.36 3kox s ALA 271 CO 0.11 -0.37 0.76 -2.30 0.00 0.00 0.00 175.76 173.96 3kox n PRO 272 N 0.51 0.89 -0.01 0.00 -0.02 -1.26 -2.29 135.00 132.83 3kox n PRO 272 Ca -0.18 0.32 0.11 0.00 -2.02 0.00 0.00 63.50 61.74 3kox n PRO 272 Cb 0.60 -1.72 0.61 0.00 -0.02 0.00 0.00 33.50 32.97 3kox n PRO 272 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kox n PRO 273 N 0.42 1.13 -1.96 0.52 -0.04 -1.26 -5.08 135.00 128.72 3kox n PRO 273 Ca 0.11 -0.19 -0.36 0.00 -0.04 0.00 0.00 63.50 63.02 3kox n PRO 273 Cb 0.38 -1.36 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.97 2.51 -1.08 0.55 0.00 -0.97 -4.86 121.76 115.94 3kox s ALA 274 Ca 0.33 1.04 -0.21 0.00 0.00 0.00 0.00 51.96 53.12 3kox s ALA 274 Cb 0.16 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 3kox s ALA 274 CO 0.26 -1.25 1.93 -0.35 0.00 0.00 0.00 175.76 176.35 3kox n PRO 275 N -1.67 1.91 -0.09 0.00 -0.04 -1.26 -4.74 135.00 129.11 3kox n PRO 275 Ca 0.14 -2.37 -0.14 0.00 -0.04 0.00 0.00 63.50 61.09 3kox n PRO 275 Cb 0.49 -3.36 -0.04 0.00 -0.04 0.00 0.00 33.50 30.55 3kox n PRO 275 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kox h SER 276 N 8.38 0.85 -0.65 3.54 4.64 -1.88 -0.53 113.55 127.89 3kox h SER 276 Ca 0.36 -0.49 0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3kox h SER 276 Cb 0.80 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.59 3kox h SER 276 CO 1.59 1.17 0.34 0.24 -0.87 0.00 0.00 176.83 179.30 3kox h MET 277 N 0.54 0.60 -0.08 4.77 2.86 -1.90 0.42 114.93 122.14 3kox h MET 277 Ca 0.04 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 3kox h MET 277 Cb 0.96 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 3kox h MET 277 CO 0.09 0.40 -0.72 -0.92 1.06 0.00 0.00 176.91 176.81 3kox h TYR 278 N 0.62 0.55 -0.23 -0.22 3.20 -1.85 0.84 116.97 119.89 3kox h TYR 278 Ca 0.30 -0.24 -0.20 0.00 3.14 0.00 0.00 58.73 61.73 3kox h TYR 278 Cb 0.24 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.43 3kox h TYR 278 CO -0.10 1.00 -0.65 -0.07 -1.64 0.00 0.00 178.16 176.70 3kox h LEU 279 N 0.28 0.97 0.00 2.82 3.38 -0.82 -3.38 115.31 118.56 3kox h LEU 279 Ca -0.03 -0.58 -0.22 0.00 0.09 0.00 0.00 57.88 57.14 3kox h LEU 279 Cb 1.29 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3kox h LEU 279 CO 0.12 1.38 -1.38 0.44 0.09 0.00 0.00 178.44 179.09 3kox h ASP 280 N 0.61 0.00 -0.25 -0.43 3.32 0.07 -3.39 116.42 116.35 3kox h ASP 280 Ca -0.02 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 3kox h ASP 280 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3kox h ASP 280 CO 0.14 0.83 -0.22 0.25 -1.72 0.00 0.00 179.24 178.53 3kox h LEU 281 N 0.00 0.72 -0.93 1.55 5.85 -1.01 -1.58 115.31 119.92 3kox h LEU 281 Ca -0.17 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.18 3kox h LEU 281 Cb 1.79 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 3kox h LEU 281 CO 0.08 0.92 -0.52 -0.65 -0.34 0.00 0.00 178.44 177.93 3kox h PRO 282 N 0.63 0.05 -0.57 5.25 0.11 -1.78 -1.85 132.00 133.85 3kox h PRO 282 Ca 0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 3kox h PRO 282 Cb 0.70 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 3kox h PRO 282 CO 0.05 0.56 0.31 -0.92 -0.21 0.00 0.00 178.00 177.79 3kox h TYR 283 N 0.04 0.78 -0.63 0.65 3.20 -1.66 -1.04 116.97 118.31 3kox h TYR 283 Ca -0.00 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.96 3kox h TYR 283 Cb 0.93 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.87 3kox h TYR 283 CO 0.00 0.57 0.20 0.00 -1.64 0.00 0.00 178.16 177.30 3kox h ALA 284 N 1.14 0.80 -0.10 1.82 0.00 -0.88 -1.80 119.26 120.25 3kox h ALA 284 Ca 0.20 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3kox h ALA 284 Cb 0.05 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kox h ALA 284 CO -0.03 -0.23 -0.32 0.28 0.00 0.00 0.00 179.25 178.95 3kox h VAL 285 N 0.36 1.40 -0.41 0.00 2.07 -1.19 -2.42 116.25 116.06 3kox h VAL 285 Ca 0.33 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 66.21 3kox h VAL 285 Cb 0.45 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 3kox h VAL 285 CO -0.35 0.49 0.21 0.00 0.02 0.00 0.00 177.57 177.93 3kox h ALA 286 N 0.47 0.51 -0.24 1.67 0.00 -0.99 -0.37 119.26 120.31 3kox h ALA 286 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kox h ALA 286 Cb 0.95 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3kox h ALA 286 CO 0.07 -0.15 0.00 1.25 0.00 0.00 0.00 179.25 180.42 3kox h LEU 287 N 0.42 -0.09 -1.05 0.00 5.85 -1.37 0.56 115.31 119.64 3kox h LEU 287 Ca 0.17 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 3kox h LEU 287 Cb 0.08 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3kox h LEU 287 CO -0.12 -0.01 -0.23 0.03 -0.34 0.00 0.00 178.44 177.76 3kox h ARG 288 N 0.08 0.40 0.00 1.25 -0.00 -0.92 -0.00 114.38 115.19 3kox h ARG 288 Ca 0.12 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.98 59.44 3kox h ARG 288 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.09 3kox h ARG 288 CO -0.19 0.61 -0.06 0.93 0.00 0.00 0.00 179.97 181.26 3kox h GLU 289 N 0.36 0.04 0.00 0.04 5.08 -0.80 -2.76 114.58 116.54 3kox h GLU 289 Ca 0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3kox h GLU 289 Cb 0.61 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3kox h GLU 289 CO 0.04 0.83 -0.12 1.98 -1.00 0.00 0.00 179.01 180.74 3kox h MET 290 N -0.72 0.00 -0.72 2.33 4.05 -0.90 -3.03 114.93 115.94 3kox h MET 290 Ca -0.01 0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 59.02 3kox h MET 290 Cb 0.85 0.00 -0.23 0.00 -0.80 0.00 0.00 31.60 31.42 3kox h MET 290 CO 0.01 0.12 0.31 1.19 0.23 0.00 0.00 176.91 178.78 3kox n PHE 291 N -3.89 2.25 -1.66 1.39 3.72 -0.02 -5.01 117.46 114.25 3kox n PHE 291 Ca -0.02 -1.86 -0.51 0.00 -0.05 0.00 0.00 57.45 55.00 3kox n PHE 291 Cb 0.22 -0.78 -0.06 0.00 -0.94 0.00 0.00 39.48 37.92 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 -1.11 1.58 0.00 -1.08 -0.58 -1.05 -1.36 120.64 117.04 3kox n GLU 292 Ca 0.49 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.80 3kox n GLU 292 Cb 1.30 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 3kox n GLU 292 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kox n GLY 293 N 3.50 2.39 3.89 0.62 0.00 -1.26 -5.08 105.19 109.25 3kox n GLY 293 Ca 0.21 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.55 3.19 0.18 1.61 2.02 -0.47 -4.41 117.35 118.93 3kox s TYR 294 Ca 0.00 0.88 -0.12 0.00 -0.37 0.00 0.00 57.07 57.46 3kox s TYR 294 Cb 0.00 -3.15 -0.07 0.00 -0.40 0.00 0.00 41.96 38.33 3kox s TYR 294 CO 0.00 -1.31 0.55 1.03 -1.57 0.00 0.00 175.55 174.25 3kox s ARG 295 N -5.37 3.91 -0.25 -0.62 1.81 -0.54 -5.00 118.95 112.89 3kox s ARG 295 Ca 0.59 0.41 -0.09 0.00 -1.72 0.00 0.00 55.73 54.92 3kox s ARG 295 Cb -0.11 -2.81 -0.04 0.00 -0.45 0.00 0.00 34.95 31.55 3kox s ARG 295 CO 0.50 0.41 0.11 -1.64 -0.68 0.00 0.00 175.30 174.00 3kox s MET 296 N -2.32 3.82 -0.49 3.54 -1.94 -1.26 -0.95 119.30 119.69 3kox s MET 296 Ca 0.42 -0.40 -0.11 0.00 -1.71 0.00 0.00 55.69 53.89 3kox s MET 296 Cb -0.13 -3.43 0.12 0.00 2.01 0.00 0.00 34.83 33.40 3kox s MET 296 CO 0.20 -0.11 0.39 0.50 -0.01 0.00 0.00 175.02 175.99 3kox s ARG 297 N 1.46 2.63 0.21 2.03 3.00 0.07 -0.85 118.95 127.50 3kox s ARG 297 Ca 0.06 -1.74 -0.30 0.00 -1.00 0.00 0.00 55.73 52.75 3kox s ARG 297 Cb -0.15 -4.04 -0.08 0.00 0.00 0.00 0.00 34.95 30.68 3kox s ARG 297 CO 0.06 -1.23 0.94 0.00 0.00 0.00 0.00 175.30 175.07 3kox s ALA 298 N 1.43 3.32 0.17 6.12 0.00 0.20 -1.15 121.76 131.86 3kox s ALA 298 Ca 0.05 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.66 3kox s ALA 298 Cb -0.27 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3kox s ALA 298 CO 0.00 0.16 -0.09 -1.14 0.00 0.00 0.00 175.76 174.69 3kox s GLN 299 N -0.89 1.16 0.13 0.00 2.00 -1.10 -0.02 119.66 120.93 3kox s GLN 299 Ca 0.42 -1.52 0.02 0.00 -2.00 0.00 0.00 55.36 52.29 3kox s GLN 299 Cb -0.25 -0.70 -0.04 0.00 0.80 0.00 0.00 33.01 32.82 3kox s GLN 299 CO 0.31 0.06 0.24 -1.64 -0.50 0.00 0.00 175.29 173.76 3kox s MET 300 N -3.76 3.36 0.06 1.67 -1.94 -1.26 -4.08 119.30 113.36 3kox s MET 300 Ca 0.20 -0.60 -0.37 0.00 -1.71 0.00 0.00 55.69 53.21 3kox s MET 300 Cb 0.03 -2.94 -0.17 0.00 2.01 0.00 0.00 34.83 33.76 3kox s MET 300 CO 0.03 0.54 1.31 -1.71 -0.01 0.00 0.00 175.02 175.18 3kox n ASN 301 N -0.32 1.41 0.00 3.03 5.15 -1.26 -4.86 115.26 118.41 3kox n ASN 301 Ca -0.07 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.04 3kox n ASN 301 Cb 0.53 -1.15 0.00 0.00 -0.53 0.00 0.00 39.78 38.64 3kox n ASN 301 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3kox n THR 302 N 2.42 0.00 0.23 -0.44 -2.24 -1.26 -4.85 114.28 108.13 3kox n THR 302 Ca 0.19 -0.14 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 3kox n THR 302 Cb 0.17 0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.56 -2.46 -0.78 3.64 -1.95 -3.35 116.57 111.11 3kox h LYS 303 Ca 0.00 0.04 -0.80 0.00 -1.27 0.00 0.00 60.65 58.61 3kox h LYS 303 Cb 0.00 0.13 -0.26 0.00 -0.41 0.00 0.00 32.23 31.69 3kox h LYS 303 CO 0.00 -0.27 1.08 0.66 -2.27 0.00 0.00 179.45 178.65 3kox n TYR 304 N -5.25 2.62 -4.09 1.91 4.01 -1.26 -4.91 117.16 110.20 3kox n TYR 304 Ca -0.11 -2.58 -0.09 0.00 -0.16 0.00 0.00 57.90 54.96 3kox n TYR 304 Cb 0.29 -1.27 -0.10 0.00 -0.31 0.00 0.00 39.34 37.95 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 -3.67 0.60 0.00 -0.72 1.75 -1.26 -4.89 119.30 111.11 3kox s MET 305 Ca 0.38 -1.08 0.00 0.00 -1.25 0.00 0.00 55.69 53.74 3kox s MET 305 Cb 0.15 0.03 0.00 0.00 2.84 0.00 0.00 34.83 37.86 3kox s MET 305 CO -0.06 -0.06 0.00 -1.91 -0.65 0.00 0.00 175.02 172.34 3kox n GLU 306 N 0.51 0.00 -0.12 4.11 0.00 -1.26 -4.96 120.64 118.92 3kox n GLU 306 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.03 3kox n GLU 306 Cb 0.59 0.00 0.10 0.00 0.00 0.00 0.00 31.44 32.13 3kox n GLU 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kox n ALA 307 N -3.00 2.48 -2.75 4.31 0.00 -1.26 -4.09 120.51 116.19 3kox n ALA 307 Ca 0.00 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 52.66 3kox n ALA 307 Cb 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.98 5.72 0.29 0.00 0.15 -1.26 -4.80 113.70 112.82 3kox s SER 308 Ca 0.15 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.74 3kox s SER 308 Cb 0.08 -2.05 0.45 0.00 -1.71 0.00 0.00 66.02 62.79 3kox s SER 308 CO 0.10 -0.04 1.79 0.71 1.20 0.00 0.00 173.24 177.01 3kox h THR 309 N 5.42 1.23 -0.12 6.45 1.35 -1.88 -2.43 112.91 122.93 3kox h THR 309 Ca -0.36 -0.98 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 3kox h THR 309 Cb 1.18 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3kox h THR 309 CO 0.56 0.33 0.04 -0.09 -0.25 0.00 0.00 175.52 176.11 3kox h ARG 310 N 0.58 0.18 -0.96 4.72 2.43 -1.93 -1.88 114.38 117.53 3kox h ARG 310 Ca 0.11 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 3kox h ARG 310 Cb 0.45 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 3kox h ARG 310 CO 0.02 0.32 0.62 1.49 -1.51 0.00 0.00 179.97 180.91 3kox h GLU 311 N 0.01 1.06 -0.09 0.20 4.81 -1.90 -2.08 114.58 116.59 3kox h GLU 311 Ca 0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3kox h GLU 311 Cb 0.21 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3kox h GLU 311 CO -0.00 0.70 0.01 0.00 -0.73 0.00 0.00 179.01 178.99 3kox h ALA 312 N 1.49 0.13 -0.98 2.92 0.00 -1.35 -2.58 119.26 118.89 3kox h ALA 312 Ca 0.42 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3kox h ALA 312 Cb 0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3kox h ALA 312 CO -0.17 -0.21 0.63 1.15 0.00 0.00 0.00 179.25 180.66 3kox h THR 313 N -0.10 1.10 -0.19 0.00 2.02 -1.08 -0.55 112.91 114.12 3kox h THR 313 Ca 0.03 -0.40 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 3kox h THR 313 Cb 0.32 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3kox h THR 313 CO 0.00 0.21 -0.38 0.58 0.37 0.00 0.00 175.52 176.30 3kox h VAL 314 N 1.15 1.33 -0.94 3.16 2.07 -1.30 -0.99 116.25 120.74 3kox h VAL 314 Ca 0.42 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 66.34 3kox h VAL 314 Cb 0.15 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 3kox h VAL 314 CO -0.16 0.50 0.61 0.74 0.02 0.00 0.00 177.57 179.28 3kox h THR 315 N 0.26 1.18 -0.38 2.57 2.02 -1.31 -2.49 112.91 114.77 3kox h THR 315 Ca 0.01 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.70 3kox h THR 315 Cb 0.98 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3kox h THR 315 CO 0.08 0.22 -0.04 0.45 0.37 0.00 0.00 175.52 176.60 3kox h HIS 316 N 1.21 0.65 -0.43 3.16 3.86 -0.80 0.14 115.15 122.93 3kox h HIS 316 Ca 0.36 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.41 3kox h HIS 316 Cb -0.05 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 3kox h HIS 316 CO -0.01 0.65 -0.05 0.28 0.86 0.00 0.00 177.93 179.66 3kox h VAL 317 N 0.58 1.24 -0.60 2.45 2.07 -0.87 0.12 116.25 121.24 3kox h VAL 317 Ca 0.11 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 3kox h VAL 317 Cb 0.43 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3kox h VAL 317 CO 0.02 0.36 0.01 -0.07 0.02 0.00 0.00 177.57 177.91 3kox h LEU 318 N 0.68 1.02 -0.76 2.57 3.38 -0.85 -1.76 115.31 119.59 3kox h LEU 318 Ca 0.13 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3kox h LEU 318 Cb 0.50 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3kox h LEU 318 CO 0.03 1.07 0.45 0.78 0.09 0.00 0.00 178.44 180.85 3kox h ASN 319 N 0.96 0.67 0.10 -0.43 -0.26 -0.07 -0.96 115.58 115.59 3kox h ASN 319 Ca 0.17 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.92 3kox h ASN 319 Cb 0.54 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.70 3kox h ASN 319 CO 0.03 0.42 -0.09 -0.07 -1.06 0.00 0.00 177.43 176.66 3kox h LEU 320 N 0.80 0.00 0.10 1.61 3.38 -0.35 -1.74 115.31 119.11 3kox h LEU 320 Ca 0.35 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.02 3kox h LEU 320 Cb 0.22 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.00 3kox h LEU 320 CO -0.19 0.09 -1.23 0.25 0.09 0.00 0.00 178.44 177.45 3kox h LEU 321 N 0.00 0.84 -0.71 1.67 5.85 -0.33 -1.54 115.31 121.08 3kox h LEU 321 Ca -0.00 -0.77 0.10 0.00 0.84 0.00 0.00 57.88 58.05 3kox h LEU 321 Cb 0.17 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 3kox h LEU 321 CO 0.01 1.58 0.34 0.40 -0.34 0.00 0.00 178.44 180.43 3kox h ILE 322 N 0.27 0.82 -0.31 4.05 1.08 -0.67 0.85 117.51 123.59 3kox h ILE 322 Ca -0.18 -0.20 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 3kox h ILE 322 Cb 1.90 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 3kox h ILE 322 CO 0.23 0.10 0.20 0.28 -0.69 0.00 0.00 178.15 178.27 3kox h SER 323 N 0.57 0.33 -0.08 1.72 0.02 -1.11 -2.74 113.55 112.26 3kox h SER 323 Ca 0.36 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.21 3kox h SER 323 Cb 0.41 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3kox h SER 323 CO -0.29 0.24 -0.21 0.50 -1.14 0.00 0.00 176.83 175.93 3kox h LYS 324 N 0.40 0.49 0.00 3.45 1.63 -0.61 -1.22 116.57 120.72 3kox h LYS 324 Ca 0.12 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3kox h LYS 324 Cb -0.03 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3kox h LYS 324 CO -0.03 0.68 0.00 -0.07 -3.45 0.00 0.00 179.45 176.57 3kox h LEU 325 N 0.44 0.00 0.00 5.20 3.38 -0.72 -3.43 115.31 120.18 3kox h LEU 325 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kox h LEU 325 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kox h LEU 325 CO 0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.92 3kox n THR 326 N -2.48 0.00 -3.49 0.22 -2.24 -0.77 -4.94 114.28 100.59 3kox n THR 326 Ca 0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 3kox n THR 326 Cb 0.23 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.86 1.04 -0.26 -0.78 3.52 -0.53 -5.04 118.95 117.76 3kox s ARG 327 Ca 0.00 -0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.47 3kox s ARG 327 Cb 0.00 0.48 0.14 0.00 -1.56 0.00 0.00 34.95 34.01 3kox s ARG 327 CO 0.00 -0.39 0.49 0.00 -0.81 0.00 0.00 175.30 174.58 3kox s ALA 328 N -2.35 -1.56 0.08 6.12 0.00 -1.26 -4.80 121.76 117.99 3kox s ALA 328 Ca -0.03 1.52 -0.07 0.00 0.00 0.00 0.00 51.96 53.37 3kox s ALA 328 Cb -0.01 -1.74 -0.24 0.00 0.00 0.00 0.00 23.12 21.13 3kox s ALA 328 CO -0.02 -1.11 1.16 -0.44 0.00 0.00 0.00 175.76 175.35 3kox h ASP 329 N 8.10 0.57 -4.09 0.00 3.32 -1.38 -3.41 116.42 119.54 3kox h ASP 329 Ca -0.19 -0.55 -0.55 0.00 0.02 0.00 0.00 57.03 55.75 3kox h ASP 329 Cb 1.14 -0.18 -0.30 0.00 0.22 0.00 0.00 39.33 40.20 3kox h ASP 329 CO 0.21 1.40 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.66 3kox s ILE 330 N -2.85 1.39 -0.20 0.35 1.01 -0.27 -2.20 121.20 118.43 3kox s ILE 330 Ca -0.06 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3kox s ILE 330 Cb 0.07 -1.18 0.03 0.00 0.01 0.00 0.00 42.46 41.40 3kox s ILE 330 CO 0.89 0.40 -0.16 -1.58 0.00 0.00 0.00 174.94 174.49 3kox s GLN 331 N -0.16 2.66 0.37 2.79 2.00 -0.13 0.59 119.66 127.77 3kox s GLN 331 Ca 0.01 -0.95 0.07 0.00 -2.00 0.00 0.00 55.36 52.50 3kox s GLN 331 Cb -0.09 -2.61 -0.00 0.00 0.80 0.00 0.00 33.01 31.11 3kox s GLN 331 CO 0.01 -0.32 0.48 -1.12 -0.50 0.00 0.00 175.29 173.84 3kox s SER 332 N 1.26 5.74 0.09 6.67 0.01 0.97 -2.23 113.70 126.21 3kox s SER 332 Ca 0.01 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 56.99 3kox s SER 332 Cb -0.15 -0.97 -0.03 0.00 0.21 0.00 0.00 66.02 65.08 3kox s SER 332 CO -0.10 -0.55 -0.14 0.42 0.41 0.00 0.00 173.24 173.27 3kox s THR 333 N -2.27 1.18 -0.09 1.44 -4.23 -1.13 -4.24 115.64 106.30 3kox s THR 333 Ca 0.48 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 3kox s THR 333 Cb -0.09 -1.25 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 3kox s THR 333 CO 0.31 -0.30 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.23 3kox s ILE 334 N -1.63 2.21 0.31 2.99 -1.09 -1.26 -4.64 121.20 118.09 3kox s ILE 334 Ca 0.02 -0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 57.17 3kox s ILE 334 Cb -0.08 -1.84 -0.10 0.00 -1.58 0.00 0.00 42.46 38.86 3kox s ILE 334 CO 0.02 0.56 1.32 0.42 -1.23 0.00 0.00 174.94 176.03 3kox s THR 335 N 0.13 2.76 -0.83 2.92 -4.23 -1.26 -4.75 115.64 110.37 3kox s THR 335 Ca -0.12 0.74 0.14 0.00 -1.18 0.00 0.00 61.69 61.28 3kox s THR 335 Cb -0.16 -3.47 0.13 0.00 1.34 0.00 0.00 72.50 70.33 3kox s THR 335 CO 0.06 0.17 1.43 -0.81 -0.54 0.00 0.00 174.62 174.94 3kox n PRO 336 N 1.11 0.05 0.00 3.99 -0.04 -1.26 -2.09 135.00 136.76 3kox n PRO 336 Ca 0.01 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 3kox n PRO 336 Cb 0.42 -1.61 0.43 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.71 1.34 -0.31 3.54 5.75 -1.26 -4.05 116.55 119.85 3kox n ASP 337 Ca 0.02 -1.23 0.10 0.00 -0.01 0.00 0.00 54.79 53.67 3kox n ASP 337 Cb 0.14 0.08 0.26 0.00 -1.03 0.00 0.00 41.12 40.57 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 1.89 0.56 0.00 0.11 4.22 -1.60 1.31 114.58 121.07 3kox h GLU 338 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.41 3kox h GLU 338 Cb 0.53 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kox h GLU 338 CO 0.00 0.37 0.00 0.41 -2.18 0.00 0.00 179.01 177.61 3kox n GLY 339 N -1.33 -1.11 0.51 1.92 0.00 -1.26 -4.25 105.19 99.68 3kox n GLY 339 Ca 0.20 -0.08 -0.11 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 -1.44 0.25 -4.06 1.61 0.63 0.44 -4.36 116.66 109.73 3kox n ARG 340 Ca 0.06 0.10 -0.12 0.00 -0.92 0.00 0.00 57.85 56.97 3kox n ARG 340 Cb 0.21 -0.98 -0.05 0.00 0.45 0.00 0.00 32.46 32.09 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 -5.80 0.40 0.36 6.15 4.22 -0.35 -4.97 114.94 114.94 3kox s ASN 341 Ca -0.16 -1.25 -0.27 0.00 -2.14 0.00 0.00 52.86 49.05 3kox s ASN 341 Cb 0.06 0.60 -0.09 0.00 1.28 0.00 0.00 41.25 43.10 3kox s ASN 341 CO 0.21 -1.19 1.18 -0.69 -2.04 0.00 0.00 177.10 174.57 3kox s VAL 342 N -3.54 3.15 0.31 3.54 1.01 -1.26 -4.29 120.40 119.32 3kox s VAL 342 Ca 0.28 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 3kox s VAL 342 Cb 0.00 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 3kox s VAL 342 CO 0.15 0.16 1.59 -2.65 0.00 0.00 0.00 175.10 174.35 3kox n PRO 343 N 0.46 2.73 -3.72 2.72 -0.02 -1.26 -4.99 135.00 130.91 3kox n PRO 343 Ca 0.02 0.97 -0.26 0.00 -2.02 0.00 0.00 63.50 62.21 3kox n PRO 343 Cb 0.45 -2.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 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 -0.17 3.48 0.19 6.00 0.51 -1.26 -4.84 118.94 122.85 3kox s TRP 344 Ca 0.62 0.27 -0.23 0.00 -2.12 0.00 0.00 56.10 54.64 3kox s TRP 344 Cb -0.49 -1.80 0.11 0.00 -0.81 0.00 0.00 33.47 30.48 3kox s TRP 344 CO 0.51 0.37 1.56 0.45 -0.51 0.00 0.00 176.95 179.32 3kox h HIS 345 N 1.75 -1.31 0.00 -1.98 3.86 -1.54 -1.50 115.15 114.43 3kox h HIS 345 Ca -0.49 0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 58.82 3kox h HIS 345 Cb 1.20 0.69 -0.00 0.00 1.06 0.00 0.00 27.41 30.36 3kox h HIS 345 CO 0.53 -0.40 -0.02 -0.84 0.86 0.00 0.00 177.93 178.06 3kox h ILE 346 N -0.08 0.60 0.00 2.45 3.07 -1.95 -1.33 117.51 120.27 3kox h ILE 346 Ca 0.25 -0.09 -0.16 0.00 1.55 0.00 0.00 64.86 66.41 3kox h ILE 346 Cb 0.55 1.06 -0.03 0.00 -0.27 0.00 0.00 36.82 38.12 3kox h ILE 346 CO -0.87 0.02 -1.13 1.88 -1.05 0.00 0.00 178.15 177.00 3kox h TYR 347 N 0.00 0.00 -0.81 0.16 0.05 -1.68 -0.44 116.97 114.25 3kox h TYR 347 Ca -0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 3kox h TYR 347 Cb 0.05 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.74 3kox h TYR 347 CO 0.00 0.62 0.53 -0.91 -1.05 0.00 0.00 178.16 177.35 3kox h ASN 348 N 0.00 0.82 -0.16 3.88 4.21 -0.96 0.06 115.58 123.43 3kox h ASN 348 Ca -0.11 -0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.25 3kox h ASN 348 Cb 1.57 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.59 3kox h ASN 348 CO 0.06 0.54 -0.49 0.40 -1.29 0.00 0.00 177.43 176.66 3kox h ILE 349 N 0.94 1.33 -0.20 2.81 5.03 -1.27 -1.50 117.51 124.66 3kox h ILE 349 Ca 0.34 -1.74 0.05 0.00 -0.12 0.00 0.00 64.86 63.39 3kox h ILE 349 Cb 0.14 1.99 -0.06 0.00 -3.03 0.00 0.00 36.82 35.86 3kox h ILE 349 CO -0.11 0.54 -0.22 -0.33 -0.68 0.00 0.00 178.15 177.35 3kox h GLU 350 N 0.27 -0.24 -0.92 2.37 5.08 -0.94 -0.24 114.58 119.97 3kox h GLU 350 Ca -0.01 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3kox h GLU 350 Cb 1.11 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 3kox h GLU 350 CO 0.10 -0.16 0.58 0.00 -1.00 0.00 0.00 179.01 178.53 3kox h ALA 351 N 0.79 1.29 -0.39 3.43 0.00 -0.70 0.11 119.26 123.80 3kox h ALA 351 Ca 0.12 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3kox h ALA 351 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kox h ALA 351 CO -0.34 0.30 -0.34 0.00 0.00 0.00 0.00 179.25 178.87 3kox h ASP 353 N 0.75 0.64 -0.98 0.00 3.32 0.20 -2.94 116.42 117.41 3kox h ASP 353 Ca 0.07 -0.36 0.05 0.00 0.02 0.00 0.00 57.03 56.82 3kox h ASP 353 Cb 0.92 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.23 3kox h ASP 353 CO 0.08 0.85 0.64 0.74 -1.72 0.00 0.00 179.24 179.83 3kox h THR 354 N 0.41 1.12 0.24 0.35 2.02 -0.76 0.27 112.91 116.56 3kox h THR 354 Ca 0.08 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3kox h THR 354 Cb 0.57 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3kox h THR 354 CO 0.03 0.21 -0.12 0.00 0.37 0.00 0.00 175.52 176.02 3kox h ALA 355 N 1.45 -0.32 -0.59 6.16 0.00 -1.41 0.30 119.26 124.85 3kox h ALA 355 Ca 0.41 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3kox h ALA 355 Cb 0.11 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kox h ALA 355 CO -0.15 -0.53 0.21 1.57 0.00 0.00 0.00 179.25 180.35 3kox h LYS 356 N -0.63 0.90 -0.00 0.00 2.10 -1.46 -0.84 116.57 116.64 3kox h LYS 356 Ca -0.03 -0.18 0.03 0.00 -2.00 0.00 0.00 60.65 58.47 3kox h LYS 356 Cb 0.45 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 31.60 3kox h LYS 356 CO 0.05 0.79 -0.23 0.37 -2.00 0.00 0.00 179.45 178.44 3kox h GLN 357 N 0.83 -0.35 -0.53 0.07 4.15 -0.75 0.23 115.11 118.77 3kox h GLN 357 Ca 0.19 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.53 3kox h GLN 357 Cb 0.25 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 3kox h GLN 357 CO -0.01 -0.23 -0.08 0.00 -1.93 0.00 0.00 178.83 176.58 3kox h ALA 358 N 0.50 0.72 -0.23 3.38 0.00 -0.95 -1.59 119.26 121.09 3kox h ALA 358 Ca 0.06 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 3kox h ALA 358 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kox h ALA 358 CO -0.21 0.61 -0.51 -0.07 0.00 0.00 0.00 179.25 179.06 3kox h LEU 359 N 0.85 0.71 -0.54 0.00 3.38 -0.77 -2.67 115.31 116.27 3kox h LEU 359 Ca 0.14 -0.36 -0.16 0.00 0.09 0.00 0.00 57.88 57.59 3kox h LEU 359 Cb 0.64 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kox h LEU 359 CO 0.04 1.09 -0.54 0.40 0.09 0.00 0.00 178.44 179.53 3kox h ILE 360 N 0.50 1.32 -0.51 1.22 1.08 -0.48 -2.49 117.51 118.16 3kox h ILE 360 Ca 0.02 -1.79 0.07 0.00 -0.39 0.00 0.00 64.86 62.78 3kox h ILE 360 Cb 1.07 1.77 -0.03 0.00 -3.07 0.00 0.00 36.82 36.55 3kox h ILE 360 CO 0.10 0.55 0.34 1.23 -0.69 0.00 0.00 178.15 179.69 3kox h GLY 361 N 1.09 0.49 -2.23 5.37 0.00 -1.06 -1.00 103.07 105.73 3kox h GLY 361 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3kox h GLY 361 CO 0.10 0.11 0.00 1.03 0.00 0.00 0.00 176.54 177.78 3kox n MET 362 N -4.47 2.63 -1.67 4.80 2.81 -0.96 -4.95 117.12 115.31 3kox n MET 362 Ca 0.07 -2.09 -0.50 0.00 -1.81 0.00 0.00 57.70 53.38 3kox n MET 362 Cb 0.30 -1.56 -0.05 0.00 -0.71 0.00 0.00 33.22 31.19 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 1.01 2.89 0.00 7.83 2.03 -0.38 -0.16 116.55 129.77 3kox n ASP 363 Ca 0.19 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.55 3kox n ASP 363 Cb 0.57 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 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 3.76 0.93 0.31 0.27 0.00 -1.26 -4.90 105.19 104.31 3kox n GLY 364 Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.14 0.00 0.99 5.85 -0.92 0.18 115.31 121.26 3kox h LEU 365 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3kox h LEU 365 Cb 0.00 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3kox h LEU 365 CO 0.00 -0.23 0.00 0.23 -0.34 0.00 0.00 178.44 178.10 3kox n MET 366 N -5.31 0.27 0.12 1.25 2.81 -1.26 -0.04 117.12 114.96 3kox n MET 366 Ca 0.22 0.05 0.13 0.00 -1.81 0.00 0.00 57.70 56.29 3kox n MET 366 Cb 0.72 -1.50 0.43 0.00 -0.71 0.00 0.00 33.22 32.16 3kox n MET 366 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3kox h ASP 367 N 0.00 0.00 0.00 7.83 3.32 -1.05 -3.36 116.42 123.15 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 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3kox h ASP 367 CO 0.00 0.00 -1.01 0.23 -1.72 0.00 0.00 179.24 176.74 3kox n MET 368 N -2.32 0.40 -4.50 3.56 2.81 0.94 -5.04 117.12 112.96 3kox n MET 368 Ca 0.04 -0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.67 3kox n MET 368 Cb 0.38 -1.01 -0.13 0.00 -0.71 0.00 0.00 33.22 31.74 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 -2.05 1.66 0.11 2.03 1.01 -0.19 -5.13 120.40 117.85 3kox s VAL 369 Ca -0.00 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.66 3kox s VAL 369 Cb 0.01 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3kox s VAL 369 CO 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 175.10 175.23 3kox s GLN 370 N -1.45 0.85 0.35 2.72 -2.07 -1.26 -4.50 119.66 114.30 3kox s GLN 370 Ca 0.07 -1.36 -0.26 0.00 -1.82 0.00 0.00 55.36 51.99 3kox s GLN 370 Cb -0.09 -0.07 -0.09 0.00 -1.09 0.00 0.00 33.01 31.66 3kox s GLN 370 CO 0.03 -0.09 1.02 -0.51 -1.32 0.00 0.00 175.29 174.42 3kox s LEU 371 N -3.04 4.29 -1.26 2.60 1.43 -1.26 -4.96 118.68 116.48 3kox s LEU 371 Ca 0.15 2.01 -0.09 0.00 -1.03 0.00 0.00 54.13 55.17 3kox s LEU 371 Cb 0.06 -4.02 0.18 0.00 0.03 0.00 0.00 46.19 42.44 3kox s LEU 371 CO -0.03 -0.28 1.80 0.29 0.23 0.00 0.00 176.35 178.36 3kox n LYS 372 N 0.38 3.67 -0.20 1.70 5.02 -1.26 -4.79 118.16 122.67 3kox n LYS 372 Ca 0.03 -3.64 0.12 0.00 -2.02 0.00 0.00 58.31 52.80 3kox n LYS 372 Cb 0.49 -2.90 0.43 0.00 -0.02 0.00 0.00 35.03 33.02 3kox n LYS 372 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kox h ARG 373 N 5.84 0.57 -5.94 1.97 9.65 -1.97 -3.35 114.38 121.15 3kox h ARG 373 Ca 0.37 -0.03 -0.58 0.00 -1.10 0.00 0.00 59.98 58.64 3kox h ARG 373 Cb 0.65 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 29.04 3kox h ARG 373 CO 1.57 0.38 -0.11 -1.21 2.80 0.00 0.00 179.97 183.39 3kox s GLU 374 N -5.56 4.21 0.00 0.20 0.41 -1.26 -2.91 118.70 113.79 3kox s GLU 374 Ca -0.09 0.54 0.00 0.00 -0.41 0.00 0.00 54.97 55.01 3kox s GLU 374 Cb 0.21 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 3kox s GLU 374 CO 0.77 0.40 0.00 0.41 -0.49 0.00 0.00 175.26 176.35 3kox n GLY 375 N 2.53 0.62 0.30 -1.39 0.00 -1.26 -4.82 105.19 101.17 3kox n GLY 375 Ca -0.09 -2.15 0.17 0.00 0.00 0.00 0.00 46.02 43.95 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 0.28 0.19 1.61 3.04 -1.92 -2.55 116.25 116.91 3kox h VAL 376 Ca 0.00 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 3kox h VAL 376 Cb 0.00 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 3kox h VAL 376 CO 0.00 0.04 -0.09 0.25 -1.01 0.00 0.00 177.57 176.76 3kox h LEU 377 N 0.00 -0.21 -1.84 3.16 5.85 -1.87 -2.42 115.31 117.98 3kox h LEU 377 Ca -0.00 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3kox h LEU 377 Cb 0.20 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3kox h LEU 377 CO 0.01 0.15 0.15 1.23 -0.34 0.00 0.00 178.44 179.63 3kox h GLY 378 N -0.60 0.24 1.50 3.75 0.00 -1.33 -0.88 103.07 105.75 3kox h GLY 378 Ca -0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 3kox h GLY 378 CO 0.04 0.08 -0.18 -0.55 0.00 0.00 0.00 176.54 175.93 3kox h ASP 379 N 0.21 0.58 0.31 0.19 3.32 -1.37 -1.12 116.42 118.54 3kox h ASP 379 Ca 0.09 -0.18 -0.33 0.00 0.02 0.00 0.00 57.03 56.63 3kox h ASP 379 Cb 0.11 -0.16 0.03 0.00 0.22 0.00 0.00 39.33 39.54 3kox h ASP 379 CO -0.02 0.77 -1.44 0.74 -1.72 0.00 0.00 179.24 177.57 3kox h THR 380 N 0.53 1.32 -0.14 0.35 2.02 -0.98 -2.59 112.91 113.41 3kox h THR 380 Ca 0.09 -2.75 0.05 0.00 0.77 0.00 0.00 66.41 64.56 3kox h THR 380 Cb 0.61 3.02 -0.06 0.00 -1.74 0.00 0.00 68.15 69.99 3kox h THR 380 CO 0.04 0.82 -0.23 0.58 0.37 0.00 0.00 175.52 177.10 3kox h VAL 381 N 0.14 0.43 -0.73 3.16 2.07 -1.10 0.13 116.25 120.35 3kox h VAL 381 Ca -0.24 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3kox h VAL 381 Cb 2.14 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 3kox h VAL 381 CO 0.27 0.00 0.46 -0.09 0.02 0.00 0.00 177.57 178.22 3kox h ARG 382 N -0.29 0.86 0.22 1.57 9.65 -1.26 -2.41 114.38 122.72 3kox h ARG 382 Ca 0.10 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3kox h ARG 382 Cb 0.45 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3kox h ARG 382 CO -0.31 0.57 -0.16 1.49 2.80 0.00 0.00 179.97 184.36 3kox h GLU 383 N 0.88 -0.37 -0.98 0.20 4.81 -1.02 -1.67 114.58 116.43 3kox h GLU 383 Ca 0.30 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.71 3kox h GLU 383 Cb 0.03 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.41 3kox h GLU 383 CO -0.12 -0.24 0.62 -0.07 -0.73 0.00 0.00 179.01 178.46 3kox h LEU 384 N -0.38 0.80 0.11 1.64 3.38 -0.29 -0.46 115.31 120.11 3kox h LEU 384 Ca -0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kox h LEU 384 Cb 0.33 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kox h LEU 384 CO 0.00 0.36 -0.05 0.11 0.09 0.00 0.00 178.44 178.94 3kox h LYS 385 N 0.82 -0.15 -0.44 1.13 1.57 -1.33 -0.50 116.57 117.67 3kox h LYS 385 Ca 0.52 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.40 3kox h LYS 385 Cb 0.74 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.99 3kox h LYS 385 CO -0.30 0.19 -0.22 0.93 -0.57 0.00 0.00 179.45 179.48 3kox h GLU 386 N -0.50 -0.13 -0.94 3.15 5.08 -0.75 -0.17 114.58 120.31 3kox h GLU 386 Ca -0.02 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3kox h GLU 386 Cb 0.41 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 3kox h GLU 386 CO 0.03 -0.09 0.59 0.00 -1.00 0.00 0.00 179.01 178.53 3kox h ARG 387 N -0.14 0.96 -0.04 2.33 3.08 -0.97 0.42 114.38 120.03 3kox h ARG 387 Ca 0.21 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3kox h ARG 387 Cb 0.46 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3kox h ARG 387 CO -0.52 0.64 0.02 0.00 -1.07 0.00 0.00 179.97 179.03 3kox h ALA 388 N 1.48 0.05 -0.60 0.04 0.00 0.18 -1.91 119.26 118.50 3kox h ALA 388 Ca 0.44 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3kox h ALA 388 Cb 0.34 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3kox h ALA 388 CO -0.23 -0.38 0.30 0.28 0.00 0.00 0.00 179.25 179.23 3kox h VAL 389 N -0.09 0.92 -0.26 0.00 2.07 -0.57 -1.61 116.25 116.72 3kox h VAL 389 Ca 0.01 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 3kox h VAL 389 Cb 0.15 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3kox h VAL 389 CO -0.00 0.10 -0.08 -0.07 0.02 0.00 0.00 177.57 177.54 3kox h LEU 390 N 0.56 0.39 -0.51 2.57 3.38 -0.82 -0.03 115.31 120.85 3kox h LEU 390 Ca 0.27 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3kox h LEU 390 Cb 0.21 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3kox h LEU 390 CO -0.20 0.52 0.25 0.15 0.09 0.00 0.00 178.44 179.25 3kox h PHE 391 N 0.39 0.45 -0.10 1.13 -0.00 -0.48 -1.40 116.94 116.92 3kox h PHE 391 Ca 0.08 0.02 -0.18 0.00 -0.00 0.00 0.00 57.97 57.89 3kox h PHE 391 Cb 0.39 -0.13 -0.00 0.00 -0.00 0.00 0.00 35.95 36.21 3kox h PHE 391 CO 0.01 0.21 -0.69 0.52 -0.00 0.00 0.00 178.31 178.36 3kox h MET 392 N 0.48 0.45 -0.84 1.11 2.86 -0.53 -1.24 114.93 117.22 3kox h MET 392 Ca 0.23 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3kox h MET 392 Cb 0.16 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 3kox h MET 392 CO -0.17 0.97 0.49 0.93 1.06 0.00 0.00 176.91 180.19 3kox h GLU 393 N 0.32 1.15 -0.23 1.72 5.08 -0.78 -2.19 114.58 119.65 3kox h GLU 393 Ca -0.02 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.09 3kox h GLU 393 Cb 1.25 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3kox h GLU 393 CO 0.12 0.81 -0.43 1.49 -1.00 0.00 0.00 179.01 180.00 3kox h GLU 394 N 1.16 0.57 -0.40 2.33 4.81 -0.44 0.36 114.58 122.98 3kox h GLU 394 Ca 0.30 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3kox h GLU 394 Cb -0.03 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3kox h GLU 394 CO -0.05 0.90 0.19 0.82 -0.73 0.00 0.00 179.01 180.13 3kox h ILE 395 N 0.46 0.96 -0.28 2.32 2.04 -0.87 0.11 117.51 122.26 3kox h ILE 395 Ca 0.03 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3kox h ILE 395 Cb 0.95 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3kox h ILE 395 CO 0.08 0.07 0.10 0.40 0.00 0.00 0.00 178.15 178.81 3kox h ILE 396 N 0.39 1.18 -0.27 -0.67 2.04 -1.15 -1.26 117.51 117.77 3kox h ILE 396 Ca 0.17 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 3kox h ILE 396 Cb 0.09 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3kox h ILE 396 CO -0.13 0.19 0.16 -0.08 0.00 0.00 0.00 178.15 178.29 3kox h GLU 397 N 0.29 0.36 0.00 2.37 4.81 0.14 0.57 114.58 123.12 3kox h GLU 397 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3kox h GLU 397 Cb 0.19 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kox h GLU 397 CO -0.01 0.26 0.00 0.00 -0.73 0.00 0.00 179.01 178.53 3kox n ALA 398 N -2.50 2.08 -0.47 2.92 0.00 0.28 -4.88 120.51 117.94 3kox n ALA 398 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3kox n ALA 398 Cb 0.09 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 0.30 1.06 0.00 0.00 0.00 0.20 -4.68 105.19 102.07 3kox n GLY 399 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.80 -2.15 0.22 -0.02 0.00 -0.50 -4.62 105.19 96.32 3kox n GLY 400 Ca 0.00 -2.20 -0.01 0.00 0.00 0.00 0.00 46.02 43.81 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 0.39 -0.19 1.61 3.20 -1.96 -1.81 116.97 118.20 3kox h TYR 401 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3kox h TYR 401 Cb 0.00 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3kox h TYR 401 CO 0.00 0.12 0.04 0.74 -1.64 0.00 0.00 178.16 177.42 3kox h PHE 402 N 0.41 0.33 -0.25 -3.82 0.04 -1.95 0.32 116.94 112.01 3kox h PHE 402 Ca 0.28 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 61.03 3kox h PHE 402 Cb 0.31 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 3kox h PHE 402 CO -0.16 0.45 0.11 -0.91 -0.60 0.00 0.00 178.31 177.20 3kox h ASN 403 N 0.11 0.14 -0.13 2.17 2.35 -1.79 0.65 115.58 119.09 3kox h ASN 403 Ca 0.06 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3kox h ASN 403 Cb 0.29 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 3kox h ASN 403 CO 0.00 0.12 -0.18 0.00 -1.65 0.00 0.00 177.43 175.72 3kox h ALA 404 N 1.14 -0.11 -0.95 -0.83 0.00 -0.97 0.45 119.26 117.98 3kox h ALA 404 Ca 0.11 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kox h ALA 404 Cb 0.05 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3kox h ALA 404 CO -0.09 -0.63 0.62 0.28 0.00 0.00 0.00 179.25 179.43 3kox h VAL 405 N -0.23 1.25 -0.23 0.00 2.07 -0.83 -2.24 116.25 116.04 3kox h VAL 405 Ca 0.10 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3kox h VAL 405 Cb 0.36 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3kox h VAL 405 CO -0.26 0.24 -0.12 -0.33 0.02 0.00 0.00 177.57 177.12 3kox h GLU 406 N 1.29 0.37 -0.19 1.57 5.08 0.49 -2.21 114.58 120.98 3kox h GLU 406 Ca 0.35 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3kox h GLU 406 Cb -0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3kox h GLU 406 CO -0.07 0.50 0.00 1.04 -1.00 0.00 0.00 179.01 179.48 3kox n GLN 407 N -4.24 1.50 -1.12 2.33 6.02 0.14 -4.57 117.38 117.45 3kox n GLN 407 Ca 0.00 -0.77 -0.02 0.00 -0.01 0.00 0.00 57.00 56.19 3kox n GLN 407 Cb 0.29 -1.22 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 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 0.90 0.54 0.32 1.08 0.00 -0.84 -4.93 105.19 102.26 3kox n GLY 408 Ca 0.10 -0.97 0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.00 -3.20 1.61 -1.00 -1.64 -3.39 116.94 109.32 3kox h PHE 409 Ca -0.05 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 60.09 3kox h PHE 409 Cb 0.20 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.66 3kox h PHE 409 CO 0.06 0.00 -0.62 -0.06 -1.61 0.00 0.00 178.31 176.08 3kox s PHE 410 N -4.46 3.10 -1.13 -0.55 0.08 -1.26 -4.30 117.98 109.45 3kox s PHE 410 Ca -0.05 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.03 3kox s PHE 410 Cb 0.14 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 3kox s PHE 410 CO 0.49 0.50 0.00 0.28 -0.10 0.00 0.00 175.22 176.39 3kox n VAL 411 N 0.42 -0.23 -3.11 -0.44 0.31 -1.26 -1.72 118.33 112.31 3kox n VAL 411 Ca -0.09 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.84 3kox n VAL 411 Cb 0.52 -1.55 -0.05 0.00 -0.91 0.00 0.00 33.84 31.84 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 -2.71 7.12 0.00 4.52 2.15 -1.26 -4.09 116.67 122.40 3kox s ASP 412 Ca 0.00 1.33 0.18 0.00 0.43 0.00 0.00 52.55 54.49 3kox s ASP 412 Cb 0.00 -2.42 0.85 0.00 -0.30 0.00 0.00 42.92 41.06 3kox s ASP 412 CO 0.00 0.10 1.57 -1.54 -0.17 0.00 0.00 175.17 175.13 3kox n SER 413 N 2.52 0.00 -4.77 -0.34 3.41 -1.26 -4.81 113.62 108.37 3kox n SER 413 Ca -0.06 0.26 -0.32 0.00 -0.26 0.00 0.00 58.87 58.49 3kox n SER 413 Cb 0.50 -0.39 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.78 1.96 -0.86 5.00 0.00 -1.26 -4.77 107.32 104.60 3kox s GLY 414 Ca 0.13 0.44 -0.19 0.00 0.00 0.00 0.00 44.72 45.11 3kox s GLY 414 CO 0.30 0.80 1.03 -0.47 0.00 0.00 0.00 173.10 174.76 3kox s TYR 415 N -2.56 3.13 0.28 1.90 5.04 -1.25 -4.63 117.35 119.25 3kox s TYR 415 Ca 0.65 -1.32 -0.26 0.00 -2.44 0.00 0.00 57.07 53.69 3kox s TYR 415 Cb -0.19 -4.21 -0.15 0.00 0.35 0.00 0.00 41.96 37.75 3kox s TYR 415 CO 0.48 -1.44 0.60 0.98 -1.34 0.00 0.00 175.55 174.83 3kox n TYR 416 N 6.38 -0.22 1.56 4.97 9.36 -1.26 -2.10 117.16 135.85 3kox n TYR 416 Ca 0.17 0.81 0.10 0.00 3.32 0.00 0.00 57.90 62.30 3kox n TYR 416 Cb 0.48 -2.02 0.62 0.00 -0.63 0.00 0.00 39.34 37.79 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 0.90 0.78 -1.99 2.98 -0.04 -1.26 -4.95 135.00 131.42 3kox n PRO 417 Ca 0.14 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.20 3kox n PRO 417 Cb 0.30 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.00 4.21 -0.12 0.54 2.12 -0.89 -5.00 118.70 117.56 3kox s GLU 418 Ca 0.31 2.35 -0.04 0.00 0.36 0.00 0.00 54.97 57.95 3kox s GLU 418 Cb 0.14 -2.99 0.06 0.00 0.26 0.00 0.00 34.13 31.60 3kox s GLU 418 CO 0.24 -0.36 0.18 0.50 -0.54 0.00 0.00 175.26 175.28 3kox s ARG 419 N -1.97 0.08 0.00 4.30 3.52 -1.26 -3.77 118.95 119.85 3kox s ARG 419 Ca 0.51 0.46 0.22 0.00 -0.13 0.00 0.00 55.73 56.79 3kox s ARG 419 Cb -0.42 -0.57 0.73 0.00 -1.56 0.00 0.00 34.95 33.14 3kox s ARG 419 CO 0.56 -0.41 1.54 0.09 -0.81 0.00 0.00 175.30 176.28 3kox n ASN 420 N 5.32 1.84 -1.35 -2.12 3.02 -1.26 -4.93 115.26 115.77 3kox n ASN 420 Ca -0.05 -1.72 -0.13 0.00 -0.03 0.00 0.00 54.58 52.65 3kox n ASN 420 Cb 0.50 -0.11 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.17 0.12 0.52 7.41 0.00 -1.26 -4.91 105.19 108.25 3kox n GLY 421 Ca 0.17 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.35 3.05 -3.26 1.61 5.68 -1.26 -5.05 116.55 116.98 3kox n ASP 422 Ca -0.15 -2.67 -0.21 0.00 -0.50 0.00 0.00 54.79 51.26 3kox n ASP 422 Cb 0.58 -0.37 0.18 0.00 -1.14 0.00 0.00 41.12 40.36 3kox n ASP 422 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kox n GLY 423 N -0.50 -2.68 3.43 6.12 0.00 -1.26 -4.70 105.19 105.61 3kox n GLY 423 Ca 0.15 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 3kox n GLY 423 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kox s ILE 424 N -2.42 3.91 -0.28 -0.61 -1.09 -0.70 -4.91 121.20 115.10 3kox s ILE 424 Ca 0.51 -0.33 -0.08 0.00 -2.23 0.00 0.00 60.65 58.53 3kox s ILE 424 Cb -0.05 -2.77 -0.01 0.00 -1.58 0.00 0.00 42.46 38.05 3kox s ILE 424 CO 0.39 0.42 0.09 0.00 -1.23 0.00 0.00 174.94 174.62 3kox s ALA 425 N 1.06 3.15 -0.10 9.38 0.00 -1.26 -4.53 121.76 129.46 3kox s ALA 425 Ca 0.02 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 3kox s ALA 425 Cb -0.14 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 3kox s ALA 425 CO 0.01 -0.71 -0.07 1.03 0.00 0.00 0.00 175.76 176.03 3kox s ARG 426 N 1.58 3.09 -0.16 0.00 1.81 -1.16 -4.98 118.95 119.12 3kox s ARG 426 Ca 0.05 -0.56 -0.19 0.00 -1.72 0.00 0.00 55.73 53.31 3kox s ARG 426 Cb -0.16 -2.68 -0.03 0.00 -0.45 0.00 0.00 34.95 31.62 3kox s ARG 426 CO 0.04 0.49 0.53 -0.65 -0.68 0.00 0.00 175.30 175.02 3kox s GLN 427 N -0.33 4.26 0.29 3.54 1.11 -1.26 -3.69 119.66 123.56 3kox s GLN 427 Ca 0.05 0.47 0.02 0.00 0.01 0.00 0.00 55.36 55.91 3kox s GLN 427 Cb -0.12 -3.51 0.70 0.00 -1.01 0.00 0.00 33.01 29.06 3kox s GLN 427 CO 0.02 -0.04 1.44 1.51 0.01 0.00 0.00 175.29 178.23 3kox n ILE 428 N 4.22 -0.39 -1.01 1.08 3.06 -1.26 0.13 119.36 125.20 3kox n ILE 428 Ca -0.05 2.02 0.02 0.00 -2.50 0.00 0.00 62.75 62.25 3kox n ILE 428 Cb 0.51 -2.96 0.33 0.00 0.54 0.00 0.00 39.64 38.06 3kox n ILE 428 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 3kox n ASN 429 N -5.36 4.87 -4.70 9.51 6.94 -1.26 -4.68 115.26 120.58 3kox n ASN 429 Ca 0.22 -3.10 -0.28 0.00 -0.02 0.00 0.00 54.58 51.39 3kox n ASN 429 Cb 0.71 -0.68 -0.09 0.00 -2.36 0.00 0.00 39.78 37.37 3kox n ASN 429 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3kox s GLY 430 N -1.22 2.58 0.00 4.83 0.00 0.36 -4.82 107.32 109.05 3kox s GLY 430 Ca 0.52 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3kox s GLY 430 CO 0.13 -2.07 0.00 0.61 0.00 0.00 0.00 173.10 171.77 3kox n GLY 431 N -1.14 -2.56 3.65 0.20 0.00 -1.26 -4.11 105.19 99.97 3kox n GLY 431 Ca -0.07 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.50 3.97 0.00 -0.61 -1.09 -0.31 -2.19 121.20 120.47 3kox s ILE 432 Ca 0.00 1.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 3kox s ILE 432 Cb 0.00 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 3kox s ILE 432 CO 0.00 -0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.09 3kox n GLY 433 N 4.12 0.88 3.74 6.18 0.00 -1.26 -0.70 105.19 118.15 3kox n GLY 433 Ca 0.16 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3kox n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox n ALA 434 N -1.37 2.44 -0.68 4.61 0.00 -0.93 -2.70 120.51 121.88 3kox n ALA 434 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3kox n ALA 434 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.00 3kox n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kox n GLY 435 N 2.25 0.66 1.31 0.00 0.00 -1.26 -4.92 105.19 103.24 3kox n GLY 435 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.66 2.57 -4.08 2.61 -2.24 -1.10 -4.93 114.28 104.44 3kox n THR 436 Ca 0.00 -2.03 -0.35 0.00 -2.27 0.00 0.00 64.05 59.40 3kox n THR 436 Cb 0.00 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 67.83 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 -3.00 4.71 -0.10 2.28 1.01 -1.26 -5.03 120.40 119.01 3kox s VAL 437 Ca 0.47 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3kox s VAL 437 Cb 0.39 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3kox s VAL 437 CO 0.08 0.50 -0.14 -0.36 0.00 0.00 0.00 175.10 175.18 3kox s PHE 438 N 0.07 1.82 0.39 5.22 0.08 -1.26 -5.11 117.98 119.18 3kox s PHE 438 Ca 0.05 -0.83 -0.27 0.00 0.12 0.00 0.00 56.93 55.99 3kox s PHE 438 Cb -0.12 -1.33 -0.11 0.00 -0.57 0.00 0.00 43.02 40.89 3kox s PHE 438 CO 0.01 -0.45 1.46 -1.91 -0.10 0.00 0.00 175.22 174.24 3kox n GLU 439 N 4.23 2.55 -2.53 0.44 2.13 -1.26 -4.98 120.64 121.21 3kox n GLU 439 Ca -0.19 0.90 -0.42 0.00 0.66 0.00 0.00 57.16 58.10 3kox n GLU 439 Cb 0.51 -2.64 -0.03 0.00 0.27 0.00 0.00 31.44 29.55 3kox n GLU 439 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3kox s ARG 440 N -2.17 4.40 0.70 5.31 0.52 -1.26 -5.07 118.95 121.39 3kox s ARG 440 Ca 0.55 1.59 -0.11 0.00 -0.52 0.00 0.00 55.73 57.24 3kox s ARG 440 Cb -0.47 -3.51 0.01 0.00 0.52 0.00 0.00 34.95 31.49 3kox s ARG 440 CO 0.62 -0.35 1.07 -0.51 0.02 0.00 0.00 175.30 176.15 3kox s ASP 441 N 1.28 5.39 0.62 0.23 1.01 -1.26 -4.95 116.67 119.00 3kox s ASP 441 Ca 0.54 1.45 0.29 0.00 0.71 0.00 0.00 52.55 55.54 3kox s ASP 441 Cb -0.23 -2.32 1.58 0.00 1.01 0.00 0.00 42.92 42.95 3kox s ASP 441 CO 0.23 -1.41 1.94 -0.08 0.21 0.00 0.00 175.17 176.05 3kox h GLU 442 N -0.70 0.00 -0.31 8.23 4.22 -2.02 -0.81 114.58 123.19 3kox h GLU 442 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 3kox h GLU 442 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3kox h GLU 442 CO 0.59 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 177.02 3kox n ASP 443 N -3.36 4.17 -4.73 1.04 5.75 -1.26 -4.73 116.55 113.44 3kox n ASP 443 Ca 0.03 -3.00 -0.42 0.00 -0.01 0.00 0.00 54.79 51.39 3kox n ASP 443 Cb 0.49 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 40.00 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 -0.32 2.58 -3.79 2.11 9.36 -0.31 -4.84 117.16 121.95 3kox n TYR 444 Ca 0.22 0.47 -0.13 0.00 3.32 0.00 0.00 57.90 61.79 3kox n TYR 444 Cb 0.94 -2.48 -0.10 0.00 -0.63 0.00 0.00 39.34 37.07 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 -1.65 0.50 -0.11 2.98 -2.45 -1.26 0.42 119.30 117.73 3kox s MET 445 Ca 0.57 -0.00 -0.04 0.00 -1.25 0.00 0.00 55.69 54.97 3kox s MET 445 Cb -0.54 0.23 0.05 0.00 1.25 0.00 0.00 34.83 35.82 3kox s MET 445 CO 0.60 -0.11 0.08 0.00 1.05 0.00 0.00 175.02 176.64 3kox s ALA 446 N -0.77 0.31 -1.02 4.11 0.00 -1.26 -4.99 121.76 118.14 3kox s ALA 446 Ca -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 3kox s ALA 446 Cb -0.04 -0.84 0.26 0.00 0.00 0.00 0.00 23.12 22.49 3kox s ALA 446 CO 0.02 -0.84 2.07 -0.35 0.00 0.00 0.00 175.76 176.65 3kox n PRO 447 N 5.29 4.55 -4.23 0.00 -0.04 -1.26 -4.89 135.00 134.42 3kox n PRO 447 Ca -0.05 -4.01 -0.13 0.00 -0.04 0.00 0.00 63.50 59.27 3kox n PRO 447 Cb 0.49 -2.45 -0.10 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 -3.59 0.28 0.43 0.52 -7.23 -1.25 -3.96 120.40 105.60 3kox s VAL 448 Ca 0.46 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.52 3kox s VAL 448 Cb 0.25 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.72 3kox s VAL 448 CO -0.18 -0.16 0.85 -0.89 -0.31 0.00 0.00 175.10 174.41 3kox s THR 449 N -3.95 4.67 -0.89 5.32 2.01 -1.26 -4.10 115.64 117.44 3kox s THR 449 Ca 0.34 0.89 -0.02 0.00 0.31 0.00 0.00 61.69 63.21 3kox s THR 449 Cb 0.07 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 3kox s THR 449 CO 0.09 -0.54 0.76 0.00 -0.69 0.00 0.00 174.62 174.24 3kox n ALA 450 N -1.28 -1.74 -2.75 7.40 0.00 -1.26 -5.01 120.51 115.88 3kox n ALA 450 Ca 0.04 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 3kox n ALA 450 Cb 0.54 -2.92 -0.11 0.00 0.00 0.00 0.00 19.45 16.97 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 -3.29 3.07 -0.18 0.00 5.04 -1.26 -4.36 115.29 114.32 3kox s HIS 451 Ca 0.12 -0.00 -0.24 0.00 -1.54 0.00 0.00 55.06 53.40 3kox s HIS 451 Cb -0.02 -1.84 -0.22 0.00 0.04 0.00 0.00 32.58 30.54 3kox s HIS 451 CO 0.57 0.27 0.44 0.35 -2.34 0.00 0.00 174.74 174.02 3kox h PHE 452 N 5.74 0.02 -3.56 3.88 3.57 -1.89 -3.49 116.94 121.21 3kox h PHE 452 Ca -0.43 -0.01 -0.43 0.00 3.53 0.00 0.00 57.97 60.62 3kox h PHE 452 Cb 1.19 -0.00 0.18 0.00 2.79 0.00 0.00 35.95 40.11 3kox h PHE 452 CO 0.58 1.31 0.11 0.20 -2.23 0.00 0.00 178.31 178.28 3kox s GLY 453 N -4.62 1.55 0.05 2.40 0.00 -1.26 -4.92 107.32 100.52 3kox s GLY 453 Ca -0.25 -0.53 -0.36 0.00 0.00 0.00 0.00 44.72 43.58 3kox s GLY 453 CO 0.64 0.22 1.56 2.98 0.00 0.00 0.00 173.10 178.49 3kox n TYR 454 N -4.63 2.00 -3.68 1.90 9.36 -1.26 -4.97 117.16 115.87 3kox n TYR 454 Ca 0.07 0.38 -0.27 0.00 3.32 0.00 0.00 57.90 61.41 3kox n TYR 454 Cb 0.58 -2.48 -0.17 0.00 -0.63 0.00 0.00 39.34 36.64 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 1.48 2.70 -0.66 2.98 2.47 -1.26 -4.83 114.94 117.83 3kox s ASN 455 Ca 0.85 -0.75 -0.26 0.00 0.42 0.00 0.00 52.86 53.12 3kox s ASN 455 Cb -0.82 -0.45 0.04 0.00 -1.45 0.00 0.00 41.25 38.57 3kox s ASN 455 CO 0.46 -0.33 1.15 0.21 -3.72 0.00 0.00 177.10 174.87 3kox s ASN 456 N 1.97 6.26 -0.16 -4.21 3.84 0.17 -4.78 114.94 118.03 3kox s ASN 456 Ca 0.00 -0.39 0.03 0.00 0.21 0.00 0.00 52.86 52.71 3kox s ASN 456 Cb -0.17 -2.51 -0.12 0.00 -0.55 0.00 0.00 41.25 37.90 3kox s ASN 456 CO -0.09 -1.58 -0.12 0.52 -2.79 0.00 0.00 177.10 173.04 3kox n VAL 457 N 6.34 0.95 0.11 -5.21 0.31 -1.26 -4.47 118.33 115.10 3kox n VAL 457 Ca 0.03 -0.40 0.20 0.00 -0.01 0.00 0.00 64.34 64.16 3kox n VAL 457 Cb 0.48 -1.02 0.74 0.00 -0.91 0.00 0.00 33.84 33.13 3kox n VAL 457 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3kox h LYS 458 N 0.00 0.00 0.00 5.55 2.10 -1.87 0.46 116.57 122.81 3kox h LYS 458 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 3kox h LYS 458 Cb 1.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.95 3kox h LYS 458 CO -0.05 0.00 0.10 0.00 -2.00 0.00 0.00 179.45 177.50 3kox n GLN 459 N -3.60 0.04 -0.01 0.07 10.64 -1.26 -2.96 117.38 120.29 3kox n GLN 459 Ca 0.07 0.48 -0.02 0.00 -1.83 0.00 0.00 57.00 55.70 3kox n GLN 459 Cb 0.62 -1.73 -0.01 0.00 -0.86 0.00 0.00 30.24 28.26 3kox n GLN 459 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3kox n TYR 460 N -1.67 0.00 -3.28 2.61 4.01 0.15 -5.07 117.16 113.91 3kox n TYR 460 Ca -0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 3kox n TYR 460 Cb 0.10 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.01 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 -4.52 -0.62 0.13 7.72 -1.08 -0.68 -5.06 116.67 112.56 3kox s ASP 461 Ca -0.03 0.62 -0.25 0.00 -0.52 0.00 0.00 52.55 52.36 3kox s ASP 461 Cb 0.01 1.61 -0.04 0.00 -1.46 0.00 0.00 42.92 43.04 3kox s ASP 461 CO 0.05 -0.12 1.64 1.05 0.52 0.00 0.00 175.17 178.31 3kox h GLU 462 N 7.72 -0.34 -0.05 4.34 4.11 -1.80 -2.42 114.58 126.14 3kox h GLU 462 Ca -0.16 0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.31 3kox h GLU 462 Cb 1.14 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3kox h GLU 462 CO 0.04 -0.23 0.73 0.00 0.07 0.00 0.00 179.01 179.62 3kox h ALA 463 N 0.52 1.77 -0.62 1.06 0.00 -1.96 0.16 119.26 120.19 3kox h ALA 463 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kox h ALA 463 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kox h ALA 463 CO -0.25 -0.75 0.00 1.28 0.00 0.00 0.00 179.25 179.52 3kox n LEU 464 N -2.71 4.79 0.33 0.00 4.32 -0.91 -4.53 117.00 118.29 3kox n LEU 464 Ca 0.00 -2.50 -0.17 0.00 -0.02 0.00 0.00 56.01 53.32 3kox n LEU 464 Cb 0.76 -0.58 -0.09 0.00 -1.62 0.00 0.00 43.42 41.90 3kox n LEU 464 CO 0.07 0.79 0.59 0.58 -1.22 0.00 0.00 177.39 178.21 3kox h VAL 465 N 3.95 0.35 0.00 4.08 2.07 -0.82 -1.54 116.25 124.34 3kox h VAL 465 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3kox h VAL 465 Cb 1.49 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3kox h VAL 465 CO 0.25 0.02 0.06 -1.54 0.02 0.00 0.00 177.57 176.38 3kox n SER 466 N -5.41 0.19 -2.77 0.57 3.41 -1.26 -3.81 113.62 104.54 3kox n SER 466 Ca -0.13 0.55 -0.11 0.00 -0.26 0.00 0.00 58.87 58.92 3kox n SER 466 Cb 0.35 -0.56 0.02 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.73 1.11 -0.13 4.33 -0.58 -0.60 -4.97 120.64 118.06 3kox n GLU 467 Ca -0.00 -3.20 0.27 0.00 -0.42 0.00 0.00 57.16 53.81 3kox n GLU 467 Cb 0.07 -1.28 0.61 0.00 -0.57 0.00 0.00 31.44 30.27 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 2.96 0.00 0.00 3.49 0.11 -1.61 0.33 132.00 137.27 3kox h PRO 468 Ca -0.07 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3kox h PRO 468 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3kox h PRO 468 CO 0.47 0.00 -0.21 0.66 -0.21 0.00 0.00 178.00 178.71 3kox h SER 469 N 0.00 0.00 -0.81 -2.05 4.64 -1.71 -3.21 113.55 110.41 3kox h SER 469 Ca 0.41 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.84 3kox h SER 469 Cb 2.22 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 64.23 3kox h SER 469 CO -0.00 0.21 0.44 0.11 -0.87 0.00 0.00 176.83 176.71 3kox h LYS 470 N 0.00 0.69 -1.08 4.77 1.57 -0.64 0.11 116.57 121.99 3kox h LYS 470 Ca -0.00 -0.04 0.39 0.00 -1.87 0.00 0.00 60.65 59.12 3kox h LYS 470 Cb 0.59 -0.16 -0.12 0.00 0.08 0.00 0.00 32.23 32.62 3kox h LYS 470 CO 0.03 0.46 0.68 1.28 -0.57 0.00 0.00 179.45 181.33 3kox n LEU 471 N -4.80 0.19 -0.23 2.94 4.32 -1.21 0.41 117.00 118.62 3kox n LEU 471 Ca 0.14 1.18 0.09 0.00 -0.02 0.00 0.00 56.01 57.39 3kox n LEU 471 Cb 0.31 -0.58 0.15 0.00 -1.62 0.00 0.00 43.42 41.68 3kox n LEU 471 CO 0.25 -1.29 0.59 2.30 -1.22 0.00 0.00 177.39 178.03 3kox n ILE 472 N -4.42 1.84 -3.72 -0.08 -5.35 -0.39 -4.98 119.36 102.26 3kox n ILE 472 Ca 0.33 -2.02 -0.25 0.00 -0.27 0.00 0.00 62.75 60.53 3kox n ILE 472 Cb 1.25 -0.14 0.05 0.00 -1.74 0.00 0.00 39.64 39.06 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 -1.11 -4.25 -0.00 7.28 8.00 0.16 -4.82 116.55 121.81 3kox n ASP 473 Ca 0.15 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.96 3kox n ASP 473 Cb 0.64 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 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 -1.70 1.71 3.85 0.44 0.00 0.26 -4.89 105.19 104.86 3kox n GLY 474 Ca -0.08 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.76 0.13 0.00 0.00 1.35 -1.94 0.28 112.91 110.98 3kox h THR 476 Ca -0.45 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 3kox h THR 476 Cb 1.27 0.75 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3kox h THR 476 CO 0.42 0.00 -0.13 -0.07 -0.25 0.00 0.00 175.52 175.49 3kox h LEU 477 N 0.00 0.00 0.00 3.87 3.38 -1.97 -3.08 115.31 117.51 3kox h LEU 477 Ca 0.04 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.70 3kox h LEU 477 Cb 0.59 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 3kox h LEU 477 CO -0.00 0.13 -2.19 -0.62 0.09 0.00 0.00 178.44 175.85 3kox n GLU 478 N -3.27 1.00 -3.84 1.13 4.71 -0.24 -4.86 120.64 115.27 3kox n GLU 478 Ca 0.00 0.04 -0.31 0.00 -0.01 0.00 0.00 57.16 56.88 3kox n GLU 478 Cb 0.39 -1.44 -0.11 0.00 -1.01 0.00 0.00 31.44 29.27 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 -2.42 3.23 0.58 2.62 1.01 0.84 -4.89 120.40 121.37 3kox s VAL 479 Ca -0.15 -3.90 0.27 0.00 0.00 0.00 0.00 61.98 58.19 3kox s VAL 479 Cb 0.06 -3.11 0.36 0.00 0.00 0.00 0.00 36.38 33.69 3kox s VAL 479 CO 0.63 -0.97 2.10 -0.65 0.00 0.00 0.00 175.10 176.20 3kox h PRO 480 N 5.87 0.00 -0.40 2.72 0.11 -1.82 0.13 132.00 138.61 3kox h PRO 480 Ca 0.09 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.32 3kox h PRO 480 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 3kox h PRO 480 CO 0.74 0.00 0.34 0.93 -0.21 0.00 0.00 178.00 179.80 3kox h GLU 481 N 0.00 0.00 0.00 1.05 3.07 -1.90 -1.67 114.58 115.13 3kox h GLU 481 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3kox h GLU 481 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3kox h GLU 481 CO -0.00 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 3kox n LYS 482 N -4.07 0.36 -2.40 2.33 5.02 0.44 -4.83 118.16 115.01 3kox n LYS 482 Ca 0.07 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 3kox n LYS 482 Cb 0.53 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 3kox n LYS 482 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kox s ILE 483 N -2.60 4.04 -0.23 -0.18 1.01 -0.63 -4.96 121.20 117.65 3kox s ILE 483 Ca 0.25 1.43 -0.27 0.00 0.00 0.00 0.00 60.65 62.06 3kox s ILE 483 Cb 0.18 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3kox s ILE 483 CO 0.41 0.05 0.95 -0.69 0.00 0.00 0.00 174.94 175.66 3kox s VAL 484 N 1.69 4.75 -0.24 2.92 1.01 -1.26 -5.02 120.40 124.25 3kox s VAL 484 Ca 0.59 1.83 -0.12 0.00 0.00 0.00 0.00 61.98 64.27 3kox s VAL 484 Cb -0.28 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 3kox s VAL 484 CO 0.26 -0.13 0.25 -0.47 0.00 0.00 0.00 175.10 175.02 3kox s TYR 485 N 3.00 3.31 -0.08 5.22 5.04 -1.26 -5.08 117.35 127.50 3kox s TYR 485 Ca 0.40 0.33 -0.02 0.00 -2.44 0.00 0.00 57.07 55.35 3kox s TYR 485 Cb -0.15 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.74 3kox s TYR 485 CO 0.07 -0.02 0.00 0.42 -1.34 0.00 0.00 175.55 174.68 3kox s ILE 486 N 1.34 4.31 -0.17 3.14 -1.09 -1.26 -5.05 121.20 122.43 3kox s ILE 486 Ca 0.11 -0.27 -0.14 0.00 -2.23 0.00 0.00 60.65 58.13 3kox s ILE 486 Cb -0.14 -2.82 -0.07 0.00 -1.58 0.00 0.00 42.46 37.84 3kox s ILE 486 CO 0.07 0.59 -0.16 -0.67 -1.23 0.00 0.00 174.94 173.54 3kox n ASP 487 N 2.08 1.86 -3.59 3.58 2.03 -1.26 -4.59 116.55 116.66 3kox n ASP 487 Ca -0.18 0.51 -0.16 0.00 0.52 0.00 0.00 54.79 55.48 3kox n ASP 487 Cb 0.54 -0.86 -0.06 0.00 -0.72 0.00 0.00 41.12 40.02 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 -2.43 0.97 0.00 -0.67 0.41 -1.26 -4.03 118.70 111.70 3kox s GLU 488 Ca -0.22 -0.00 0.00 0.00 -0.41 0.00 0.00 54.97 54.33 3kox s GLU 488 Cb 0.04 0.45 0.00 0.00 -1.78 0.00 0.00 34.13 32.84 3kox s GLU 488 CO 0.35 -0.32 0.24 1.28 -0.49 0.00 0.00 175.26 176.32 3kox n LEU 489 N 0.80 0.47 -4.06 1.80 4.77 -1.26 -5.00 117.00 114.52 3kox n LEU 489 Ca -0.19 -0.66 -0.30 0.00 -0.03 0.00 0.00 56.01 54.82 3kox n LEU 489 Cb 0.58 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 3kox n LEU 489 CO 0.22 0.12 -0.50 -0.62 -1.33 0.00 0.00 177.39 175.28 3kox s ASP 490 N -0.38 2.73 0.36 -1.43 -1.08 -1.26 -5.01 116.67 110.59 3kox s ASP 490 Ca 0.00 -0.51 0.12 0.00 -0.52 0.00 0.00 52.55 51.64 3kox s ASP 490 Cb 0.00 -1.22 0.68 0.00 -1.46 0.00 0.00 42.92 40.92 3kox s ASP 490 CO 0.00 -0.02 1.81 1.05 0.52 0.00 0.00 175.17 178.54 3kox h GLU 491 N 7.79 0.04 0.00 4.34 -0.00 -2.03 -3.32 114.58 121.41 3kox h GLU 491 Ca -0.37 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.98 3kox h GLU 491 Cb 1.15 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.90 3kox h GLU 491 CO 0.54 0.41 -1.10 0.09 -0.00 0.00 0.00 179.01 178.95 3kox n ASN 492 N -4.09 0.92 -3.79 3.06 4.13 -1.26 -4.80 115.26 109.43 3kox n ASN 492 Ca -0.02 -0.57 -0.29 0.00 1.68 0.00 0.00 54.58 55.38 3kox n ASN 492 Cb 0.41 1.26 -0.13 0.00 -1.54 0.00 0.00 39.78 39.78 3kox n ASN 492 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kox s ASP 493 N -2.98 3.88 0.18 6.41 2.15 -1.25 -4.91 116.67 120.15 3kox s ASP 493 Ca 0.02 -2.93 -0.24 0.00 0.43 0.00 0.00 52.55 49.83 3kox s ASP 493 Cb 0.11 -1.26 0.05 0.00 -0.30 0.00 0.00 42.92 41.53 3kox s ASP 493 CO 0.66 -0.23 0.88 0.54 -0.17 0.00 0.00 175.17 176.86 3kox s ASN 494 N -0.10 -0.21 0.44 -0.34 2.20 -1.22 -4.01 114.94 111.70 3kox s ASN 494 Ca 0.19 -0.44 0.11 0.00 -0.94 0.00 0.00 52.86 51.78 3kox s ASN 494 Cb -0.20 0.55 0.98 0.00 -2.00 0.00 0.00 41.25 40.58 3kox s ASN 494 CO -0.03 -1.02 2.06 1.62 -2.94 0.00 0.00 177.10 176.79 3kox h VAL 495 N 2.00 1.08 -0.01 3.54 3.04 -1.90 -2.57 116.25 121.43 3kox h VAL 495 Ca -0.23 -0.23 -0.22 0.00 -1.01 0.00 0.00 66.70 65.01 3kox h VAL 495 Cb 1.24 0.80 0.02 0.00 -2.01 0.00 0.00 31.29 31.34 3kox h VAL 495 CO 0.25 0.09 -0.85 0.78 -1.01 0.00 0.00 177.57 176.84 3kox h ASN 496 N 0.31 0.76 -0.21 3.17 2.35 -1.96 -0.84 115.58 119.15 3kox h ASN 496 Ca 0.08 -0.74 -0.01 0.00 -0.55 0.00 0.00 56.30 55.08 3kox h ASN 496 Cb 0.04 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3kox h ASN 496 CO -0.01 1.40 0.08 0.58 -1.65 0.00 0.00 177.43 177.83 3kox h VAL 497 N 0.21 1.17 -0.54 2.81 2.07 -1.87 -2.41 116.25 117.68 3kox h VAL 497 Ca -0.10 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.01 3kox h VAL 497 Cb 1.52 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 32.32 3kox h VAL 497 CO 0.17 0.16 0.10 0.03 0.02 0.00 0.00 177.57 178.05 3kox h ARG 498 N 0.19 0.22 -0.64 1.57 3.08 -1.37 -2.49 114.38 114.95 3kox h ARG 498 Ca 0.07 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 3kox h ARG 498 Cb 0.18 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3kox h ARG 498 CO -0.01 0.15 0.12 0.52 -1.07 0.00 0.00 179.97 179.68 3kox h MET 499 N 0.23 1.05 -0.70 0.04 2.86 -1.08 -2.76 114.93 114.57 3kox h MET 499 Ca 0.27 -0.27 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 3kox h MET 499 Cb 0.39 -0.13 -0.13 0.00 0.06 0.00 0.00 31.60 31.79 3kox h MET 499 CO -0.37 0.97 -0.11 1.49 1.06 0.00 0.00 176.91 179.95 3kox h GLU 500 N 0.96 0.03 0.00 1.72 4.22 -0.97 -1.34 114.58 119.21 3kox h GLU 500 Ca 0.20 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.63 3kox h GLU 500 Cb 0.42 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3kox h GLU 500 CO 0.01 0.02 0.00 0.93 -2.18 0.00 0.00 179.01 177.79 3kox h GLU 501 N 0.04 0.00 0.00 1.92 5.08 -1.31 -2.52 114.58 117.78 3kox h GLU 501 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3kox h GLU 501 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3kox h GLU 501 CO -0.68 0.00 -0.07 0.25 -1.00 0.00 0.00 179.01 177.51 3kox n THR 502 N -2.67 1.25 -0.28 1.13 -2.24 -0.69 -4.79 114.28 105.99 3kox n THR 502 Ca -0.01 -1.44 0.12 0.00 -2.27 0.00 0.00 64.05 60.44 3kox n THR 502 Cb 0.10 0.15 0.23 0.00 -2.10 0.00 0.00 70.33 68.71 3kox n THR 502 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kox n LYS 503 N -0.88 -0.07 0.10 -0.78 5.02 -0.59 -1.44 118.16 119.51 3kox n LYS 503 Ca 0.08 1.23 0.20 0.00 -2.02 0.00 0.00 58.31 57.80 3kox n LYS 503 Cb 0.53 -1.95 0.67 0.00 -0.02 0.00 0.00 35.03 34.26 3kox n LYS 503 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3kox h GLU 504 N 0.00 0.00 -0.35 1.97 4.11 -1.87 -2.25 114.58 116.19 3kox h GLU 504 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 3kox h GLU 504 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3kox h GLU 504 CO -0.78 0.00 0.00 1.19 0.07 0.00 0.00 179.01 179.49 3kox n PHE 505 N -3.41 0.46 -1.54 2.06 3.01 -0.52 -4.54 117.46 112.98 3kox n PHE 505 Ca 0.08 -0.34 -0.25 0.00 1.01 0.00 0.00 57.45 57.95 3kox n PHE 505 Cb 0.76 -0.01 0.10 0.00 -0.01 0.00 0.00 39.48 40.31 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 0.96 2.74 -0.01 -1.08 1.74 -0.85 -4.86 116.66 115.31 3kox n ARG 506 Ca 0.15 -3.49 0.09 0.00 -0.77 0.00 0.00 57.85 53.82 3kox n ARG 506 Cb 0.47 -2.19 -0.13 0.00 -1.02 0.00 0.00 32.46 29.60 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 -0.92 0.75 -4.82 0.55 2.88 -1.26 -5.08 113.62 105.71 3kox n SER 509 Ca 0.52 -0.38 -0.32 0.00 -1.33 0.00 0.00 58.87 57.36 3kox n SER 509 Cb 0.93 1.51 0.01 0.00 -0.75 0.00 0.00 64.21 65.92 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 -3.08 3.40 -0.10 -1.46 -1.94 -1.26 -2.18 119.30 112.68 3kox s MET 510 Ca -0.01 1.04 -0.15 0.00 -1.71 0.00 0.00 55.69 54.86 3kox s MET 510 Cb 0.13 -2.05 0.04 0.00 2.01 0.00 0.00 34.83 34.95 3kox s MET 510 CO 0.77 -0.73 0.39 -1.50 -0.01 0.00 0.00 175.02 173.95 3kox s ILE 511 N -2.70 0.02 0.18 2.53 2.07 -1.06 -4.81 121.20 117.42 3kox s ILE 511 Ca 0.60 -0.15 -0.03 0.00 -1.41 0.00 0.00 60.65 59.66 3kox s ILE 511 Cb -0.14 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 3kox s ILE 511 CO 0.41 -0.08 0.16 -1.59 -1.91 0.00 0.00 174.94 171.93 3kox s LYS 512 N -0.37 1.15 0.79 3.50 -2.85 -1.26 -2.06 119.74 118.63 3kox s LYS 512 Ca -0.05 -1.48 -0.10 0.00 -1.00 0.00 0.00 55.97 53.34 3kox s LYS 512 Cb -0.03 0.30 0.07 0.00 -2.06 0.00 0.00 37.83 36.10 3kox s LYS 512 CO 0.02 -0.38 1.10 -2.14 0.10 0.00 0.00 175.35 174.05 3kox s PRO 513 N -4.09 2.14 0.07 1.78 0.02 -1.26 -4.74 135.00 128.91 3kox s PRO 513 Ca 0.30 1.18 -0.15 0.00 0.02 0.00 0.00 61.00 62.35 3kox s PRO 513 Cb 0.06 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.72 3kox s PRO 513 CO 0.07 -1.73 0.35 -1.83 -0.33 0.00 0.00 177.00 173.53 3kox s GLU 514 N -4.89 0.91 -0.15 5.54 -1.05 -1.26 0.80 118.70 118.61 3kox s GLU 514 Ca 0.62 -0.54 -0.01 0.00 -0.15 0.00 0.00 54.97 54.88 3kox s GLU 514 Cb -0.18 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 33.83 3kox s GLU 514 CO 0.56 -0.32 -0.14 1.33 0.95 0.00 0.00 175.26 177.64 3kox n VAL 515 N 0.31 0.83 0.00 1.83 0.24 -1.26 -4.76 118.33 115.52 3kox n VAL 515 Ca -0.18 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 3kox n VAL 515 Cb 0.61 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 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 -3.10 0.64 -5.05 7.34 0.28 -1.26 -1.27 120.64 118.22 3kox n GLU 516 Ca -0.26 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.41 3kox n GLU 516 Cb 0.76 -0.62 -0.14 0.00 1.43 0.00 0.00 31.44 32.86 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 -1.24 2.57 -0.40 -1.84 0.51 -1.26 -4.75 118.94 112.53 3kox s TRP 517 Ca 0.00 -0.33 -0.45 0.00 -2.12 0.00 0.00 56.10 53.21 3kox s TRP 517 Cb 0.00 -1.60 -0.19 0.00 -0.81 0.00 0.00 33.47 30.87 3kox s TRP 517 CO 0.00 0.06 1.58 0.94 -0.51 0.00 0.00 176.95 179.01 3kox n GLN 518 N 2.48 0.25 -1.83 4.98 7.27 -1.26 0.52 117.38 129.79 3kox n GLN 518 Ca -0.17 0.09 -0.19 0.00 0.07 0.00 0.00 57.00 56.81 3kox n GLN 518 Cb 0.52 -1.63 -0.05 0.00 2.41 0.00 0.00 30.24 31.48 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 4.03 -0.38 0.28 1.69 0.00 -1.26 -4.85 120.51 120.02 3kox n ALA 519 Ca 0.29 0.25 0.14 0.00 0.00 0.00 0.00 53.44 54.11 3kox n ALA 519 Cb -0.01 -1.94 0.81 0.00 0.00 0.00 0.00 19.45 18.31 3kox n ALA 519 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3kox h ASP 520 N 0.00 0.00 -0.28 0.00 3.04 -0.05 -3.47 116.42 115.67 3kox h ASP 520 Ca -0.40 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.27 3kox h ASP 520 Cb 1.26 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.50 3kox h ASP 520 CO 0.55 0.07 -0.11 0.61 -2.04 0.00 0.00 179.24 178.32 3kox n GLY 521 N -0.92 0.82 3.83 7.15 0.00 0.24 -4.80 105.19 111.51 3kox n GLY 521 Ca -0.02 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.19 4.92 0.19 2.61 2.01 -1.25 0.38 115.64 122.31 3kox s THR 522 Ca 0.00 0.96 0.06 0.00 0.31 0.00 0.00 61.69 63.01 3kox s THR 522 Cb 0.00 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 3kox s THR 522 CO 0.00 0.54 -0.10 0.68 -0.69 0.00 0.00 174.62 175.05 3kox s VAL 523 N -1.13 1.40 -0.12 3.82 -7.23 -0.60 -4.08 120.40 112.46 3kox s VAL 523 Ca 0.27 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 58.29 3kox s VAL 523 Cb -0.17 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 3kox s VAL 523 CO 0.16 -0.59 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.12 3kox s LEU 524 N -3.27 3.43 -0.09 1.32 2.96 -1.26 -2.35 118.68 119.42 3kox s LEU 524 Ca 0.22 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 3kox s LEU 524 Cb 0.02 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.91 3kox s LEU 524 CO 0.05 0.28 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.96 3kox s LEU 525 N -0.31 1.89 -0.09 -0.68 2.96 0.47 -4.99 118.68 117.93 3kox s LEU 525 Ca 0.06 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 3kox s LEU 525 Cb -0.12 -1.15 0.01 0.00 0.50 0.00 0.00 46.19 45.43 3kox s LEU 525 CO 0.02 0.10 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.11 3kox s THR 526 N 0.51 1.40 0.23 3.68 2.01 -1.26 -0.09 115.64 122.12 3kox s THR 526 Ca -0.17 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 3kox s THR 526 Cb -0.17 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 3kox s THR 526 CO 0.06 0.42 0.30 0.00 -0.69 0.00 0.00 174.62 174.71 3kox s MET 527 N 0.76 1.41 -0.09 4.92 0.23 -0.42 -5.02 119.30 121.10 3kox s MET 527 Ca -0.12 -1.51 0.03 0.00 -1.03 0.00 0.00 55.69 53.06 3kox s MET 527 Cb -0.16 0.36 0.01 0.00 -1.53 0.00 0.00 34.83 33.52 3kox s MET 527 CO 0.02 -0.53 -0.17 0.12 -2.03 0.00 0.00 175.02 172.44 3kox s PHE 528 N -3.99 1.95 -0.06 3.16 5.36 -1.26 -0.91 117.98 122.22 3kox s PHE 528 Ca 0.32 -0.81 0.06 0.00 -0.96 0.00 0.00 56.93 55.54 3kox s PHE 528 Cb 0.03 -1.37 -0.01 0.00 -0.34 0.00 0.00 43.02 41.33 3kox s PHE 528 CO 0.12 -0.38 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.75 3kox s LEU 529 N 0.66 2.06 -0.96 6.12 1.43 -0.57 -4.96 118.68 122.46 3kox s LEU 529 Ca -0.13 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 3kox s LEU 529 Cb -0.16 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.75 3kox s LEU 529 CO 0.04 0.23 2.71 -0.81 0.23 0.00 0.00 176.35 178.75 3kox n PRO 530 N 3.00 3.55 -4.23 1.29 -0.04 -1.26 -0.99 135.00 136.32 3kox n PRO 530 Ca -0.18 -2.70 -0.18 0.00 -0.04 0.00 0.00 63.50 60.40 3kox n PRO 530 Cb 0.52 -2.44 -0.07 0.00 -0.04 0.00 0.00 33.50 31.47 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 -0.83 0.00 0.98 0.52 -1.32 -1.26 -4.69 115.64 109.04 3kox s THR 531 Ca 0.59 -1.90 -0.11 0.00 -1.21 0.00 0.00 61.69 59.06 3kox s THR 531 Cb 0.26 -2.53 0.18 0.00 -1.51 0.00 0.00 72.50 68.90 3kox s THR 531 CO -0.12 0.00 1.11 -0.94 -2.21 0.00 0.00 174.62 172.46 3kox s SER 532 N -3.32 2.41 0.11 8.08 1.04 -1.26 -3.57 113.70 117.18 3kox s SER 532 Ca 0.38 2.01 -0.14 0.00 0.48 0.00 0.00 55.95 58.68 3kox s SER 532 Cb 0.02 -2.50 -0.08 0.00 0.10 0.00 0.00 66.02 63.56 3kox s SER 532 CO 0.25 -3.39 1.42 0.07 0.98 0.00 0.00 173.24 172.57 3kox h LYS 533 N -2.07 0.74 0.04 4.02 2.10 -1.93 -0.01 116.57 119.47 3kox h LYS 533 Ca -0.48 -0.40 -0.00 0.00 -2.00 0.00 0.00 60.65 57.77 3kox h LYS 533 Cb 1.28 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3kox h LYS 533 CO 0.44 1.02 -0.02 -0.09 -2.00 0.00 0.00 179.45 178.80 3kox h ARG 534 N 0.49 -0.06 -0.42 0.07 2.43 -1.98 -1.52 114.38 113.40 3kox h ARG 534 Ca 0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3kox h ARG 534 Cb 0.90 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 3kox h ARG 534 CO 0.08 0.10 0.21 0.28 -1.51 0.00 0.00 179.97 179.13 3kox h VAL 535 N -0.20 1.14 -0.66 0.20 2.07 -1.88 -2.01 116.25 114.91 3kox h VAL 535 Ca -0.01 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 3kox h VAL 535 Cb 0.18 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3kox h VAL 535 CO 0.01 0.16 0.12 0.00 0.02 0.00 0.00 177.57 177.89 3kox h ALA 536 N 1.64 0.88 -0.35 1.67 0.00 -0.81 -2.61 119.26 119.68 3kox h ALA 536 Ca 0.15 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3kox h ALA 536 Cb 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3kox h ALA 536 CO -0.02 0.64 0.20 1.49 0.00 0.00 0.00 179.25 181.55 3kox h GLU 537 N 1.01 0.39 -0.16 0.00 4.81 -0.50 -1.36 114.58 118.77 3kox h GLU 537 Ca 0.20 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 3kox h GLU 537 Cb 0.42 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3kox h GLU 537 CO 0.01 0.26 -0.64 0.74 -0.73 0.00 0.00 179.01 178.65 3kox h PHE 538 N 0.40 0.79 -0.67 0.92 0.04 -1.54 -2.25 116.94 114.63 3kox h PHE 538 Ca 0.14 -0.31 -0.04 0.00 2.80 0.00 0.00 57.97 60.56 3kox h PHE 538 Cb 0.02 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 3kox h PHE 538 CO -0.08 1.08 0.26 0.00 -0.60 0.00 0.00 178.31 178.97 3kox h ALA 539 N 0.84 0.87 -0.81 2.45 0.00 -1.33 -1.60 119.26 119.68 3kox h ALA 539 Ca -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kox h ALA 539 Cb 1.22 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3kox h ALA 539 CO 0.12 0.49 0.53 0.00 0.00 0.00 0.00 179.25 180.39 3kox h ALA 540 N 1.11 1.02 -0.33 0.00 0.00 -1.15 0.19 119.26 120.09 3kox h ALA 540 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3kox h ALA 540 Cb 0.22 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3kox h ALA 540 CO -0.02 0.44 0.16 0.82 0.00 0.00 0.00 179.25 180.65 3kox h ILE 541 N 1.10 0.97 -0.37 0.00 1.08 -0.99 -0.96 117.51 118.34 3kox h ILE 541 Ca 0.30 -0.11 -0.03 0.00 -0.39 0.00 0.00 64.86 64.62 3kox h ILE 541 Cb -0.12 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 3kox h ILE 541 CO -0.06 0.06 0.11 -0.33 -0.69 0.00 0.00 178.15 177.24 3kox h GLU 542 N 0.33 0.58 -0.69 2.37 4.39 -0.34 -0.20 114.58 121.02 3kox h GLU 542 Ca 0.14 -0.13 0.10 0.00 0.34 0.00 0.00 59.36 59.81 3kox h GLU 542 Cb 0.06 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 28.56 3kox h GLU 542 CO -0.11 0.61 0.31 0.74 -1.16 0.00 0.00 179.01 179.40 3kox h PHE 543 N 0.45 0.54 -0.47 4.33 0.04 -0.47 -0.47 116.94 120.89 3kox h PHE 543 Ca 0.12 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.92 3kox h PHE 543 Cb 0.27 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 3kox h PHE 543 CO 0.01 0.16 0.31 0.00 -0.60 0.00 0.00 178.31 178.19 3kox h ALA 544 N 1.45 0.59 -0.28 2.45 0.00 -0.70 -1.40 119.26 121.37 3kox h ALA 544 Ca 0.35 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3kox h ALA 544 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kox h ALA 544 CO -0.31 0.04 0.14 0.87 0.00 0.00 0.00 179.25 179.99 3kox h LYS 545 N 0.63 0.28 0.00 0.00 1.57 0.33 -1.82 116.57 117.57 3kox h LYS 545 Ca 0.17 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3kox h LYS 545 Cb -0.07 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3kox h LYS 545 CO -0.04 0.19 0.00 0.87 -0.57 0.00 0.00 179.45 179.90 3kox h LYS 546 N 0.29 0.00 -0.19 3.15 1.57 -0.66 0.44 116.57 121.18 3kox h LYS 546 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3kox h LYS 546 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3kox h LYS 546 CO -0.08 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.47 3kox n MET 547 N -3.05 1.48 -1.93 3.15 2.81 -0.57 -4.93 117.12 114.08 3kox n MET 547 Ca -0.03 -0.75 -0.11 0.00 -1.81 0.00 0.00 57.70 55.00 3kox n MET 547 Cb 0.07 -1.21 -0.02 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.07 -3.87 -4.87 7.83 3.02 0.15 -5.02 115.26 112.57 3kox n ASN 548 Ca 0.09 0.08 -0.31 0.00 -0.03 0.00 0.00 54.58 54.41 3kox n ASN 548 Cb 0.19 -2.87 -0.04 0.00 -0.61 0.00 0.00 39.78 36.45 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 -3.02 3.92 0.13 3.41 1.43 -1.07 -4.31 118.68 119.17 3kox s LEU 549 Ca 0.00 1.16 0.06 0.00 -1.03 0.00 0.00 54.13 54.32 3kox s LEU 549 Cb 0.00 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 3kox s LEU 549 CO 0.00 -0.32 -0.14 -1.61 0.23 0.00 0.00 176.35 174.51 3kox s GLU 550 N -3.53 1.07 -1.23 1.70 2.02 -0.11 -4.53 118.70 114.09 3kox s GLU 550 Ca 0.52 -1.30 -0.02 0.00 0.02 0.00 0.00 54.97 54.19 3kox s GLU 550 Cb -0.10 -0.92 -0.01 0.00 0.10 0.00 0.00 34.13 33.20 3kox s GLU 550 CO 0.27 0.17 0.84 0.39 0.02 0.00 0.00 175.26 176.95 3kox n GLU 551 N 0.36 -5.14 -2.44 1.61 1.02 -1.26 0.11 120.64 114.90 3kox n GLU 551 Ca -0.14 0.73 -0.43 0.00 -0.02 0.00 0.00 57.16 57.30 3kox n GLU 551 Cb 0.58 -5.46 -0.02 0.00 -0.02 0.00 0.00 31.44 26.51 3kox n GLU 551 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kox s VAL 552 N -3.51 4.20 -0.13 2.62 1.01 -1.26 -4.42 120.40 118.91 3kox s VAL 552 Ca 0.07 1.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 3kox s VAL 552 Cb -0.01 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3kox s VAL 552 CO 0.78 -0.42 -0.11 -1.61 0.00 0.00 0.00 175.10 173.73 3kox s GLU 553 N 4.02 3.37 0.09 2.72 2.02 -0.97 -5.01 118.70 124.95 3kox s GLU 553 Ca 0.55 -0.64 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 3kox s GLU 553 Cb -0.17 -2.68 -0.06 0.00 0.10 0.00 0.00 34.13 31.32 3kox s GLU 553 CO 0.21 0.27 1.13 0.08 0.02 0.00 0.00 175.26 176.97 3kox s VAL 554 N 0.23 4.10 0.00 2.63 1.01 -1.26 -1.40 120.40 125.71 3kox s VAL 554 Ca -0.07 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.51 3kox s VAL 554 Cb -0.15 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3kox s VAL 554 CO 0.05 0.18 0.00 2.30 0.00 0.00 0.00 175.10 177.62 3kox n ILE 555 N 3.39 0.00 -3.78 2.22 -5.35 -0.29 -4.95 119.36 110.59 3kox n ILE 555 Ca 0.06 -0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.13 3kox n ILE 555 Cb 0.47 0.91 -0.12 0.00 -1.74 0.00 0.00 39.64 39.16 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 -0.74 -0.23 -0.07 7.28 2.47 -1.08 -4.84 114.94 117.73 3kox s ASN 556 Ca 0.00 0.45 0.02 0.00 0.42 0.00 0.00 52.86 53.75 3kox s ASN 556 Cb 0.00 0.42 0.02 0.00 -1.45 0.00 0.00 41.25 40.24 3kox s ASN 556 CO 0.00 -0.10 -0.10 -0.13 -3.72 0.00 0.00 177.10 173.05 3kox s ARG 557 N 0.43 1.56 -0.11 0.43 3.00 -1.26 -1.16 118.95 121.84 3kox s ARG 557 Ca -0.03 -0.35 0.03 0.00 0.00 0.00 0.00 55.73 55.39 3kox s ARG 557 Cb -0.04 -1.36 0.01 0.00 0.00 0.00 0.00 34.95 33.55 3kox s ARG 557 CO -0.02 -0.04 -0.21 -1.21 0.00 0.00 0.00 175.30 173.82 3kox s GLU 558 N 0.87 2.82 -0.25 3.54 2.02 -0.55 -4.99 118.70 122.15 3kox s GLU 558 Ca -0.11 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 53.80 3kox s GLU 558 Cb -0.15 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 3kox s GLU 558 CO 0.01 0.06 1.37 0.08 0.02 0.00 0.00 175.26 176.80 3kox s VAL 559 N 0.63 4.06 -0.03 2.63 1.01 -1.26 -0.21 120.40 127.22 3kox s VAL 559 Ca -0.13 1.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 3kox s VAL 559 Cb -0.16 -4.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.07 3kox s VAL 559 CO 0.03 -0.37 0.81 0.24 0.00 0.00 0.00 175.10 175.81 3kox h MET 560 N 9.40 -0.44 -2.39 2.72 0.00 -1.75 -3.47 114.93 119.00 3kox h MET 560 Ca -0.28 0.03 -0.08 0.00 0.00 0.00 0.00 59.70 59.37 3kox h MET 560 Cb 1.11 0.10 -0.23 0.00 0.00 0.00 0.00 31.60 32.59 3kox h MET 560 CO 1.01 -0.16 -0.06 -1.14 0.00 0.00 0.00 176.91 176.56 3kox s GLN 561 N -3.60 0.66 0.30 1.72 -0.44 -1.10 -4.97 119.66 112.23 3kox s GLN 561 Ca -0.11 0.76 0.01 0.00 -2.50 0.00 0.00 55.36 53.52 3kox s GLN 561 Cb 0.01 0.32 0.72 0.00 -1.64 0.00 0.00 33.01 32.42 3kox s GLN 561 CO 0.36 -0.08 1.58 1.49 0.50 0.00 0.00 175.29 179.14 3kox h GLU 562 N 5.22 0.03 0.05 1.67 4.81 -1.91 -1.92 114.58 122.52 3kox h GLU 562 Ca -0.28 -0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.59 3kox h GLU 562 Cb 1.17 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 3kox h GLU 562 CO 0.16 0.02 -2.08 0.00 -0.73 0.00 0.00 179.01 176.37 3kox n ALA 563 N -3.11 1.07 0.05 2.92 0.00 -1.26 -4.07 120.51 116.11 3kox n ALA 563 Ca 0.22 -0.79 -0.00 0.00 0.00 0.00 0.00 53.44 52.87 3kox n ALA 563 Cb 0.73 -0.37 0.30 0.00 0.00 0.00 0.00 19.45 20.10 3kox n ALA 563 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kox h GLU 564 N -0.30 0.39 0.00 0.00 4.39 -1.72 -3.39 114.58 113.95 3kox h GLU 564 Ca -0.50 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.09 3kox h GLU 564 Cb 1.80 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 3kox h GLU 564 CO -0.09 0.53 0.00 0.41 -1.16 0.00 0.00 179.01 178.70 3kox n GLY 565 N -0.70 1.21 2.82 -3.84 0.00 -0.79 -4.28 105.19 99.62 3kox n GLY 565 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 0.05 0.14 2.61 2.01 -0.16 -1.95 115.64 116.35 3kox s THR 566 Ca 0.00 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 61.83 3kox s THR 566 Cb 0.00 -0.14 -0.07 0.00 0.01 0.00 0.00 72.50 72.30 3kox s THR 566 CO 0.00 0.09 0.85 -0.60 -0.69 0.00 0.00 174.62 174.27 3kox s ARG 567 N 0.74 4.64 -0.01 4.92 3.52 0.70 -1.51 118.95 131.96 3kox s ARG 567 Ca -0.07 1.27 0.02 0.00 -0.13 0.00 0.00 55.73 56.83 3kox s ARG 567 Cb -0.10 -3.31 -0.00 0.00 -1.56 0.00 0.00 34.95 29.98 3kox s ARG 567 CO -0.02 0.42 -0.08 0.42 -0.81 0.00 0.00 175.30 175.24 3kox s ILE 568 N -0.68 0.64 -0.05 4.11 -1.09 -0.09 -1.49 121.20 122.54 3kox s ILE 568 Ca 0.40 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.53 3kox s ILE 568 Cb -0.23 -0.54 -0.01 0.00 -1.58 0.00 0.00 42.46 40.10 3kox s ILE 568 CO 0.28 0.18 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.36 3kox s GLU 569 N -0.14 2.13 0.04 2.79 2.02 -0.30 -1.30 118.70 123.93 3kox s GLU 569 Ca 0.02 -0.73 0.06 0.00 0.02 0.00 0.00 54.97 54.34 3kox s GLU 569 Cb -0.04 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 3kox s GLU 569 CO -0.00 0.29 -0.16 -0.51 0.02 0.00 0.00 175.26 174.89 3kox s LEU 570 N -0.01 2.18 0.15 1.80 1.02 0.87 -1.14 118.68 123.55 3kox s LEU 570 Ca -0.05 -0.49 0.04 0.00 0.02 0.00 0.00 54.13 53.66 3kox s LEU 570 Cb -0.13 -0.73 -0.04 0.00 0.02 0.00 0.00 46.19 45.32 3kox s LEU 570 CO 0.03 0.07 0.14 -1.59 0.02 0.00 0.00 176.35 175.02 3kox s LYS 571 N -1.19 2.96 0.09 1.70 -2.85 -0.49 -0.39 119.74 119.56 3kox s LYS 571 Ca 0.03 -0.80 -0.26 0.00 -1.00 0.00 0.00 55.97 53.94 3kox s LYS 571 Cb -0.08 -2.70 0.07 0.00 -2.06 0.00 0.00 37.83 33.06 3kox s LYS 571 CO 0.02 0.50 0.65 0.20 0.10 0.00 0.00 175.35 176.82 3kox s GLY 572 N -2.98 -0.59 -0.15 0.59 0.00 -0.99 -2.28 107.32 100.92 3kox s GLY 572 Ca 0.31 0.77 -0.17 0.00 0.00 0.00 0.00 44.72 45.64 3kox s GLY 572 CO 0.24 0.39 0.41 -1.60 0.00 0.00 0.00 173.10 172.54 3kox s ARG 573 N -3.01 4.28 -0.18 2.90 3.52 0.31 -1.56 118.95 125.21 3kox s ARG 573 Ca -0.02 0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.59 3kox s ARG 573 Cb -0.01 -3.46 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 3kox s ARG 573 CO -0.07 0.12 1.07 0.08 -0.81 0.00 0.00 175.30 175.69 3kox s VAL 574 N 0.78 4.63 -0.19 7.11 1.01 0.16 -0.93 120.40 132.97 3kox s VAL 574 Ca 0.22 1.94 0.02 0.00 0.00 0.00 0.00 61.98 64.16 3kox s VAL 574 Cb -0.14 -4.25 0.23 0.00 0.00 0.00 0.00 36.38 32.22 3kox s VAL 574 CO 0.08 -0.11 1.30 -0.81 0.00 0.00 0.00 175.10 175.55 3kox n PRO 575 N 5.93 1.48 -3.84 2.72 -0.04 -1.26 -4.80 135.00 135.19 3kox n PRO 575 Ca 0.11 -1.04 -0.08 0.00 -0.04 0.00 0.00 63.50 62.46 3kox n PRO 575 Cb 0.47 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.16 -0.16 0.40 0.54 -0.12 -1.26 -5.18 117.98 111.04 3kox s PHE 576 Ca 0.20 -0.27 0.07 0.00 -0.05 0.00 0.00 56.93 56.88 3kox s PHE 576 Cb 0.16 0.64 -0.07 0.00 -0.63 0.00 0.00 43.02 43.13 3kox s PHE 576 CO 0.04 -1.18 0.04 -1.12 -0.05 0.00 0.00 175.22 172.94 3kox s SER 577 N -2.92 3.99 -0.06 1.98 0.01 -1.26 -4.81 113.70 110.63 3kox s SER 577 Ca 0.11 -1.28 -0.01 0.00 1.31 0.00 0.00 55.95 56.09 3kox s SER 577 Cb -0.05 -0.42 0.03 0.00 0.21 0.00 0.00 66.02 65.79 3kox s SER 577 CO 0.06 -0.44 -0.00 -0.63 0.41 0.00 0.00 173.24 172.63 3kox s ILE 578 N -2.67 0.34 -0.06 1.44 -1.09 -0.87 -4.99 121.20 113.30 3kox s ILE 578 Ca 0.36 0.08 -0.26 0.00 -2.23 0.00 0.00 60.65 58.61 3kox s ILE 578 Cb 0.08 -0.46 -0.03 0.00 -1.58 0.00 0.00 42.46 40.46 3kox s ILE 578 CO 0.19 0.23 0.81 -0.62 -1.23 0.00 0.00 174.94 174.32 3kox s ASP 579 N 1.58 7.11 0.05 3.58 -1.08 -1.26 -2.56 116.67 124.09 3kox s ASP 579 Ca -0.01 1.34 -0.24 0.00 -0.52 0.00 0.00 52.55 53.12 3kox s ASP 579 Cb -0.13 -2.47 -0.17 0.00 -1.46 0.00 0.00 42.92 38.69 3kox s ASP 579 CO -0.03 -0.21 1.55 0.40 0.52 0.00 0.00 175.17 177.40 3kox h ILE 580 N 4.84 1.10 -0.78 4.11 1.08 -1.80 -3.16 117.51 122.90 3kox h ILE 580 Ca -0.39 -0.42 0.21 0.00 -0.39 0.00 0.00 64.86 63.87 3kox h ILE 580 Cb 1.19 1.38 -0.15 0.00 -3.07 0.00 0.00 36.82 36.18 3kox h ILE 580 CO 0.77 0.11 -0.01 0.59 -0.69 0.00 0.00 178.15 178.92 3kox n ASN 581 N -5.02 -0.11 0.00 1.72 3.02 -1.26 0.13 115.26 113.73 3kox n ASN 581 Ca -0.08 1.33 0.10 0.00 -0.03 0.00 0.00 54.58 55.90 3kox n ASN 581 Cb 0.12 -0.48 0.60 0.00 -0.61 0.00 0.00 39.78 39.41 3kox n ASN 581 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kox n SER 582 N -5.12 0.00 -4.75 6.41 7.64 -1.19 -4.83 113.62 111.77 3kox n SER 582 Ca 0.18 -1.37 -0.40 0.00 1.01 0.00 0.00 58.87 58.29 3kox n SER 582 Cb 0.58 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.63 4.61 -0.33 -3.43 1.43 0.34 -5.03 118.68 114.65 3kox s LEU 583 Ca 0.30 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 55.24 3kox s LEU 583 Cb 0.14 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 3kox s LEU 583 CO 0.23 0.11 0.22 -0.69 0.23 0.00 0.00 176.35 176.46 3kox s VAL 584 N -1.22 5.17 -0.26 -1.59 1.01 -1.26 -5.04 120.40 117.21 3kox s VAL 584 Ca 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 3kox s VAL 584 Cb -0.26 -3.64 0.08 0.00 0.00 0.00 0.00 36.38 32.56 3kox s VAL 584 CO 0.32 0.02 0.06 -0.63 0.00 0.00 0.00 175.10 174.88 3kox s ILE 585 N 1.71 0.73 0.15 2.22 1.01 -1.26 -5.13 121.20 120.63 3kox s ILE 585 Ca 0.06 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3kox s ILE 585 Cb -0.17 -1.40 0.04 0.00 0.01 0.00 0.00 42.46 40.94 3kox s ILE 585 CO 0.10 -0.46 0.13 -0.81 0.00 0.00 0.00 174.94 173.90 3kox n PRO 586 N 4.94 -1.27 0.00 2.79 -0.04 -1.26 -5.30 135.00 134.86 3kox n PRO 586 Ca -0.06 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 3kox n PRO 586 Cb 0.44 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 3kox n PRO 586 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3kox n PRO 587 N -1.91 2.72 0.00 0.54 -0.04 -1.26 -5.31 135.00 129.74 3kox n PRO 587 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3kox n PRO 587 Cb 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 3kox n PRO 587 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3kox n ILE 591 N 0.00 0.00 -2.91 0.52 5.41 -1.26 -5.35 119.36 115.77 3kox n ILE 591 Ca 0.00 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.35 3kox n ILE 591 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 3kox n ILE 591 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3kox s LEU 592 N 0.00 4.39 0.45 1.39 0.20 -1.26 -5.05 118.68 118.80 3kox s LEU 592 Ca 0.00 1.44 -0.19 0.00 0.69 0.00 0.00 54.13 56.07 3kox s LEU 592 Cb 0.00 -3.30 -0.10 0.00 -0.43 0.00 0.00 46.19 42.36 3kox s LEU 592 CO 0.00 -0.11 0.95 -0.94 -0.29 0.00 0.00 176.35 175.96 3kox s SER 593 N 0.53 6.83 0.36 3.68 1.04 -1.26 -4.89 113.70 119.99 3kox s SER 593 Ca 0.42 1.63 0.11 0.00 0.48 0.00 0.00 55.95 58.59 3kox s SER 593 Cb -0.20 -2.52 0.89 0.00 0.10 0.00 0.00 66.02 64.29 3kox s SER 593 CO 0.23 -0.42 1.82 1.05 0.98 0.00 0.00 173.24 176.90 3kox h GLU 594 N 1.62 0.60 0.00 4.02 9.09 -1.99 0.13 114.58 128.05 3kox h GLU 594 Ca -0.48 -0.04 -0.10 0.00 0.05 0.00 0.00 59.36 58.79 3kox h GLU 594 Cb 1.18 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 28.13 3kox h GLU 594 CO 0.61 0.39 -0.47 -0.44 0.05 0.00 0.00 179.01 179.16 3kox h ASP 595 N 0.61 0.00 0.36 3.06 3.32 -1.98 1.00 116.42 122.79 3kox h ASP 595 Ca 0.52 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.33 3kox h ASP 595 Cb 1.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.56 3kox h ASP 595 CO -0.28 0.47 -1.01 -0.33 -1.72 0.00 0.00 179.24 176.37 3kox h GLU 596 N 0.00 0.41 0.52 3.56 3.07 -1.20 -1.27 114.58 119.67 3kox h GLU 596 Ca -0.00 -0.48 -0.03 0.00 -0.50 0.00 0.00 59.36 58.35 3kox h GLU 596 Cb 1.03 0.15 0.01 0.00 -0.84 0.00 0.00 28.75 29.10 3kox h GLU 596 CO 0.06 1.15 -0.25 0.82 -1.40 0.00 0.00 179.01 179.39 3kox h ILE 597 N 0.21 0.46 -0.66 3.13 2.04 -0.99 -1.40 117.51 120.31 3kox h ILE 597 Ca -0.10 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.69 3kox h ILE 597 Cb 1.67 0.55 -0.10 0.00 -0.74 0.00 0.00 36.82 38.19 3kox h ILE 597 CO 0.18 0.03 0.08 -0.09 0.00 0.00 0.00 178.15 178.35 3kox h ARG 598 N -0.83 0.18 -0.04 2.37 2.43 -0.87 -2.00 114.38 115.62 3kox h ARG 598 Ca -0.07 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 3kox h ARG 598 Cb 0.59 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3kox h ARG 598 CO 0.12 0.12 -0.55 0.93 -1.51 0.00 0.00 179.97 179.07 3kox h GLU 599 N 0.19 0.11 -0.17 0.20 5.08 -1.19 -2.38 114.58 116.41 3kox h GLU 599 Ca 0.35 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3kox h GLU 599 Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3kox h GLU 599 CO -0.51 0.63 0.04 0.22 -1.00 0.00 0.00 179.01 178.39 3kox h ASP 600 N 0.08 0.26 0.46 1.42 3.58 -0.56 -2.48 116.42 119.17 3kox h ASP 600 Ca -0.00 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 3kox h ASP 600 Cb 1.00 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 3kox h ASP 600 CO 0.08 0.43 -0.21 0.40 -2.88 0.00 0.00 179.24 177.05 3kox h ILE 601 N 0.08 0.77 0.00 2.25 2.04 -1.25 -1.54 117.51 119.87 3kox h ILE 601 Ca 0.05 -0.84 -0.22 0.00 1.00 0.00 0.00 64.86 64.85 3kox h ILE 601 Cb 0.27 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3kox h ILE 601 CO 0.00 0.20 -0.93 -0.33 0.00 0.00 0.00 178.15 177.09 3kox h GLU 602 N 0.00 0.38 -0.18 2.37 5.08 -1.43 -2.93 114.58 117.87 3kox h GLU 602 Ca -0.00 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 3kox h GLU 602 Cb 0.49 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3kox h GLU 602 CO 0.03 1.08 0.06 -0.22 -1.00 0.00 0.00 179.01 178.96 3kox h LYS 603 N 0.21 0.27 -3.36 2.33 3.64 -1.05 -3.41 116.57 115.21 3kox h LYS 603 Ca -0.07 -0.05 -0.56 0.00 -1.27 0.00 0.00 60.65 58.69 3kox h LYS 603 Cb 1.57 -0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 32.95 3kox h LYS 603 CO 0.16 0.37 -0.76 0.99 -2.27 0.00 0.00 179.45 177.93 3kox s THR 604 N -5.48 0.60 0.58 1.00 2.01 -0.62 -5.13 115.64 108.62 3kox s THR 604 Ca -0.14 -1.17 -0.18 0.00 0.31 0.00 0.00 61.69 60.52 3kox s THR 604 Cb 0.07 -1.44 -0.07 0.00 0.01 0.00 0.00 72.50 71.07 3kox s THR 604 CO 0.71 -0.65 0.70 -2.65 -0.69 0.00 0.00 174.62 172.04 3kox n PRO 605 N 4.97 0.65 -4.03 4.92 -0.02 -1.11 -4.31 135.00 136.07 3kox n PRO 605 Ca -0.04 0.26 -0.24 0.00 -2.02 0.00 0.00 63.50 61.46 3kox n PRO 605 Cb 0.42 -1.89 -0.17 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.41 1.13 -0.01 2.45 2.96 -1.26 -5.05 118.68 118.49 3kox s LEU 606 Ca 0.72 -0.20 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 3kox s LEU 606 Cb -0.43 -0.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 3kox s LEU 606 CO 0.51 -0.10 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.47 3kox s LYS 607 N 1.43 2.15 -0.00 1.98 2.20 -1.26 -1.83 119.74 124.40 3kox s LYS 607 Ca -0.02 -0.91 -0.05 0.00 -0.36 0.00 0.00 55.97 54.63 3kox s LYS 607 Cb -0.13 -2.13 -0.00 0.00 -1.51 0.00 0.00 37.83 34.05 3kox s LYS 607 CO -0.04 0.56 0.09 0.42 -0.36 0.00 0.00 175.35 176.03 3kox s ILE 608 N -0.72 0.08 0.09 5.43 1.09 -0.51 -0.25 121.20 126.40 3kox s ILE 608 Ca 0.11 -0.62 0.08 0.00 -1.10 0.00 0.00 60.65 59.12 3kox s ILE 608 Cb -0.10 -0.34 -0.04 0.00 -1.06 0.00 0.00 42.46 40.92 3kox s ILE 608 CO 0.01 -0.34 -0.15 0.68 -0.10 0.00 0.00 174.94 175.04 3kox s VAL 609 N -1.14 3.03 -0.09 2.92 -7.23 -0.70 -1.37 120.40 115.81 3kox s VAL 609 Ca -0.12 -1.31 -0.14 0.00 -1.81 0.00 0.00 61.98 58.60 3kox s VAL 609 Cb -0.07 -2.36 0.03 0.00 0.56 0.00 0.00 36.38 34.54 3kox s VAL 609 CO 0.01 0.19 0.36 0.00 -0.31 0.00 0.00 175.10 175.34 3kox s ALA 610 N -1.10 -0.90 -0.01 1.32 0.00 -0.48 -1.25 121.76 119.35 3kox s ALA 610 Ca 0.18 0.81 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 3kox s ALA 610 Cb -0.11 -0.36 0.09 0.00 0.00 0.00 0.00 23.12 22.75 3kox s ALA 610 CO 0.10 -0.21 0.79 0.00 0.00 0.00 0.00 175.76 176.44 3kox s ALA 611 N -0.37 -1.78 -0.08 0.00 0.00 -1.18 -1.22 121.76 117.13 3kox s ALA 611 Ca -0.05 1.08 -0.27 0.00 0.00 0.00 0.00 51.96 52.73 3kox s ALA 611 Cb -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3kox s ALA 611 CO 0.02 -0.55 0.86 0.99 0.00 0.00 0.00 175.76 177.08 3kox s THR 612 N -2.38 4.92 0.18 0.00 2.01 -0.52 -1.18 115.64 118.67 3kox s THR 612 Ca -0.01 1.75 0.05 0.00 0.31 0.00 0.00 61.69 63.79 3kox s THR 612 Cb -0.01 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 3kox s THR 612 CO -0.03 0.13 0.18 -0.69 -0.69 0.00 0.00 174.62 173.52 3kox s VAL 613 N 1.37 4.66 0.00 3.82 1.01 -0.56 -1.62 120.40 129.08 3kox s VAL 613 Ca 0.43 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3kox s VAL 613 Cb -0.18 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3kox s VAL 613 CO 0.20 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.75 3kox n GLY 614 N -0.57 0.83 2.13 4.51 0.00 -0.28 -3.29 105.19 108.51 3kox n GLY 614 Ca -0.08 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 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 6.32 3.35 -3.72 1.61 1.02 -1.26 -3.48 120.64 124.47 3kox n GLU 615 Ca 0.00 -3.93 -0.37 0.00 -0.02 0.00 0.00 57.16 52.83 3kox n GLU 615 Cb 0.00 -2.28 -0.12 0.00 -0.02 0.00 0.00 31.44 29.02 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 -3.09 5.26 0.00 1.62 3.68 -1.21 -4.88 116.67 118.05 3kox s ASP 616 Ca 0.55 -0.37 0.23 0.00 2.13 0.00 0.00 52.55 55.08 3kox s ASP 616 Cb 0.44 -1.94 0.50 0.00 -1.45 0.00 0.00 42.92 40.46 3kox s ASP 616 CO 0.02 -0.10 1.44 -0.62 0.13 0.00 0.00 175.17 176.03 3kox n GLU 617 N 4.93 2.58 -2.45 4.34 -0.58 -1.26 -1.38 120.64 126.83 3kox n GLU 617 Ca -0.15 -2.42 -0.43 0.00 -0.42 0.00 0.00 57.16 53.74 3kox n GLU 617 Cb 0.50 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.82 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 -1.30 2.60 -0.05 -0.32 3.76 -1.26 -4.90 115.29 113.82 3kox s HIS 618 Ca 0.42 0.74 0.16 0.00 -0.15 0.00 0.00 55.06 56.23 3kox s HIS 618 Cb 0.23 -4.25 -0.24 0.00 1.11 0.00 0.00 32.58 29.43 3kox s HIS 618 CO 0.32 -1.68 0.30 -1.13 -0.85 0.00 0.00 174.74 171.70 3kox n SER 619 N 8.25 1.24 -0.02 1.40 3.41 -1.26 -4.74 113.62 121.90 3kox n SER 619 Ca 0.15 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.66 3kox n SER 619 Cb 0.48 1.58 -0.04 0.00 -0.26 0.00 0.00 64.21 65.97 3kox n SER 619 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kox h VAL 620 N 0.00 0.87 -0.35 -3.33 2.07 -1.98 -2.91 116.25 110.61 3kox h VAL 620 Ca -0.08 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3kox h VAL 620 Cb 0.98 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 31.51 3kox h VAL 620 CO 0.00 0.01 -0.34 1.23 0.02 0.00 0.00 177.57 178.49 3kox h GLY 621 N 0.03 -0.34 1.02 2.17 0.00 -2.00 0.13 103.07 104.08 3kox h GLY 621 Ca 0.07 0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.76 3kox h GLY 621 CO -0.14 -0.21 -0.01 -2.00 0.00 0.00 0.00 176.54 174.18 3kox h LEU 622 N -0.29 0.89 -1.87 3.11 5.85 -1.88 -1.95 115.31 119.16 3kox h LEU 622 Ca 0.15 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3kox h LEU 622 Cb 0.55 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3kox h LEU 622 CO -0.51 0.99 -0.12 0.03 -0.34 0.00 0.00 178.44 178.48 3kox h ARG 623 N 0.77 0.00 -0.04 1.25 3.08 -1.17 -2.62 114.38 115.66 3kox h ARG 623 Ca 0.14 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.01 3kox h ARG 623 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3kox h ARG 623 CO 0.03 0.12 -0.76 1.49 -1.07 0.00 0.00 179.97 179.78 3kox h GLU 624 N 0.00 0.27 -0.13 0.04 4.57 0.04 0.23 114.58 119.59 3kox h GLU 624 Ca -0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3kox h GLU 624 Cb 0.35 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3kox h GLU 624 CO 0.02 0.91 0.00 1.33 -1.18 0.00 0.00 179.01 180.09 3kox n VAL 625 N -3.77 0.17 -0.08 0.32 0.24 -1.08 -4.01 118.33 110.12 3kox n VAL 625 Ca -0.04 -0.26 -0.17 0.00 -2.04 0.00 0.00 64.34 61.83 3kox n VAL 625 Cb 0.73 0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.03 0.96 -1.85 1.34 5.41 -0.91 -0.32 119.36 124.03 3kox n ILE 626 Ca 0.15 -0.21 -0.39 0.00 1.00 0.00 0.00 62.75 63.30 3kox n ILE 626 Cb 0.25 -1.75 0.03 0.00 -0.71 0.00 0.00 39.64 37.46 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 -6.49 5.57 0.46 4.38 1.01 0.74 -2.05 116.67 120.29 3kox s ASP 627 Ca -0.23 2.75 0.11 0.00 0.71 0.00 0.00 52.55 55.89 3kox s ASP 627 Cb 0.09 -2.64 1.03 0.00 1.01 0.00 0.00 42.92 42.41 3kox s ASP 627 CO 0.30 -1.36 2.09 -0.29 0.21 0.00 0.00 175.17 176.11 3kox h ILE 628 N 1.76 1.07 -0.63 0.77 2.10 -1.90 0.47 117.51 121.15 3kox h ILE 628 Ca -0.51 -0.17 0.13 0.00 1.08 0.00 0.00 64.86 65.40 3kox h ILE 628 Cb 1.28 0.78 -0.11 0.00 -1.09 0.00 0.00 36.82 37.69 3kox h ILE 628 CO 0.59 0.07 0.00 0.50 -1.08 0.00 0.00 178.15 178.23 3kox h LYS 629 N 0.28 0.11 -0.76 2.19 1.63 -1.93 -2.31 116.57 115.78 3kox h LYS 629 Ca 0.08 -0.01 -0.53 0.00 -0.85 0.00 0.00 60.65 59.34 3kox h LYS 629 Cb 0.01 -0.03 -0.34 0.00 -0.60 0.00 0.00 32.23 31.27 3kox h LYS 629 CO -0.01 0.08 -0.21 0.72 -3.45 0.00 0.00 179.45 176.57 3kox n HIS 630 N -5.28 2.63 -1.48 1.91 8.25 -1.24 -4.93 115.22 115.08 3kox n HIS 630 Ca 0.09 -2.36 0.00 0.00 -0.26 0.00 0.00 57.72 55.19 3kox n HIS 630 Cb 0.36 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.78 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 -0.84 0.54 3.69 -1.41 0.00 -0.87 -4.65 105.19 101.65 3kox n GLY 631 Ca 0.48 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.88 1.63 0.25 -0.02 0.00 0.15 -2.42 107.32 104.04 3kox s GLY 632 Ca 0.00 0.08 0.20 0.00 0.00 0.00 0.00 44.72 45.01 3kox s GLY 632 CO 0.00 0.56 1.62 0.29 0.00 0.00 0.00 173.10 175.57 3kox n ILE 633 N -4.00 1.03 0.33 0.90 -5.35 0.57 -1.28 119.36 111.55 3kox n ILE 633 Ca 0.08 0.49 0.15 0.00 -0.27 0.00 0.00 62.75 63.19 3kox n ILE 633 Cb 0.54 -1.44 0.60 0.00 -1.74 0.00 0.00 39.64 37.59 3kox n ILE 633 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 3kox h GLU 634 N 0.00 0.00 -0.04 6.28 4.11 -1.65 -1.87 114.58 121.41 3kox h GLU 634 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 3kox h GLU 634 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3kox h GLU 634 CO 0.00 0.00 0.04 -0.22 0.07 0.00 0.00 179.01 178.90 3kox h LYS 635 N 0.00 0.00 -0.02 1.06 3.64 -1.42 -2.85 116.57 116.97 3kox h LYS 635 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kox h LYS 635 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3kox h LYS 635 CO 0.00 0.00 -0.17 0.66 -2.27 0.00 0.00 179.45 177.67 3kox n TYR 636 N -4.20 0.00 -0.40 1.91 4.01 -0.70 -4.94 117.16 112.84 3kox n TYR 636 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3kox n TYR 636 Cb 0.13 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.32 0.80 3.69 2.72 0.00 -1.08 -4.57 105.19 108.07 3kox n GLY 637 Ca 0.14 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 3.32 -0.38 1.61 1.01 -1.24 -4.73 120.40 117.99 3kox s VAL 638 Ca 0.00 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 3kox s VAL 638 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3kox s VAL 638 CO 0.00 -0.00 1.31 -0.70 0.00 0.00 0.00 175.10 175.70 3kox s GLU 639 N 2.51 3.74 -0.21 2.72 2.12 -0.76 -4.52 118.70 124.30 3kox s GLU 639 Ca 0.69 0.98 -0.05 0.00 0.36 0.00 0.00 54.97 56.95 3kox s GLU 639 Cb -0.36 -3.94 -0.02 0.00 0.26 0.00 0.00 34.13 30.07 3kox s GLU 639 CO 0.30 -1.35 0.01 0.08 -0.54 0.00 0.00 175.26 173.76 3kox s VAL 640 N 4.80 3.94 -0.35 3.70 1.01 -1.26 -1.42 120.40 130.81 3kox s VAL 640 Ca 0.56 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 3kox s VAL 640 Cb -0.13 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3kox s VAL 640 CO 0.28 0.41 0.24 -1.00 0.00 0.00 0.00 175.10 175.04 3kox s HIS 641 N 1.21 3.23 -0.20 5.22 3.76 -0.47 -5.00 115.29 123.03 3kox s HIS 641 Ca 0.03 -0.36 -0.04 0.00 -0.15 0.00 0.00 55.06 54.54 3kox s HIS 641 Cb -0.15 -2.49 -0.02 0.00 1.11 0.00 0.00 32.58 31.04 3kox s HIS 641 CO 0.01 -0.43 -0.03 -0.47 -0.85 0.00 0.00 174.74 172.97 3kox s TYR 642 N 1.70 2.98 -2.37 1.40 5.04 -1.26 -1.39 117.35 123.45 3kox s TYR 642 Ca 0.06 -0.70 0.20 0.00 -2.44 0.00 0.00 57.07 54.19 3kox s TYR 642 Cb -0.18 -2.08 0.13 0.00 0.35 0.00 0.00 41.96 40.19 3kox s TYR 642 CO 0.10 -0.38 1.10 1.28 -1.34 0.00 0.00 175.55 176.31 3kox n LEU 643 N 4.45 2.53 0.00 6.97 4.77 -0.36 -4.97 117.00 130.39 3kox n LEU 643 Ca -0.18 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 3kox n LEU 643 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3kox n LEU 643 CO 0.30 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3kox n GLY 644 N 1.13 -0.29 3.71 -0.72 0.00 -1.26 -4.94 105.19 102.84 3kox n GLY 644 Ca 0.11 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 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 2.18 -1.55 2.61 -4.23 -1.26 -1.44 115.64 111.96 3kox s THR 645 Ca 0.00 -1.78 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 3kox s THR 645 Cb 0.00 -2.96 0.08 0.00 1.34 0.00 0.00 72.50 70.96 3kox s THR 645 CO 0.00 0.00 0.61 -1.20 -0.54 0.00 0.00 174.62 173.49 3kox n SER 646 N -1.18 -1.92 -4.59 3.99 7.64 -0.48 -4.90 113.62 112.18 3kox n SER 646 Ca -0.03 -1.00 -0.39 0.00 1.01 0.00 0.00 58.87 58.47 3kox n SER 646 Cb 0.65 -2.96 -0.10 0.00 -1.01 0.00 0.00 64.21 60.79 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 -3.63 5.26 0.55 0.44 1.01 -0.87 -4.64 120.40 118.52 3kox s VAL 647 Ca 0.37 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.40 3kox s VAL 647 Cb -0.20 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3kox s VAL 647 CO 0.90 0.18 1.28 -2.84 0.00 0.00 0.00 175.10 174.62 3kox s PRO 648 N 1.87 3.13 0.25 2.72 0.02 -1.26 -1.13 135.00 140.60 3kox s PRO 648 Ca 0.10 2.04 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 3kox s PRO 648 Cb -0.16 -2.15 0.44 0.00 0.02 0.00 0.00 34.50 32.65 3kox s PRO 648 CO 0.11 -1.13 1.76 0.28 -0.33 0.00 0.00 177.00 177.68 3kox h VAL 649 N 1.27 0.75 -0.23 3.83 2.07 -1.96 -2.33 116.25 119.66 3kox h VAL 649 Ca -0.51 -0.20 -0.15 0.00 0.82 0.00 0.00 66.70 66.67 3kox h VAL 649 Cb 1.30 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3kox h VAL 649 CO 0.57 0.11 -0.47 -0.08 0.02 0.00 0.00 177.57 177.71 3kox h GLU 650 N 0.58 0.60 -0.49 1.57 4.81 -1.97 -1.46 114.58 118.22 3kox h GLU 650 Ca 0.41 -0.34 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3kox h GLU 650 Cb 0.54 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.85 3kox h GLU 650 CO -0.34 0.95 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.54 3kox h LYS 651 N 0.48 -0.01 -0.57 1.92 1.63 -1.80 0.72 116.57 118.94 3kox h LYS 651 Ca 0.03 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 3kox h LYS 651 Cb 1.01 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.62 3kox h LYS 651 CO 0.09 -0.01 0.02 1.25 -3.45 0.00 0.00 179.45 177.35 3kox h LEU 652 N -0.01 0.98 -0.33 5.20 5.85 -1.13 0.26 115.31 126.13 3kox h LEU 652 Ca 0.24 -0.30 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 3kox h LEU 652 Cb 0.37 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kox h LEU 652 CO -0.51 1.04 -0.26 0.58 -0.34 0.00 0.00 178.44 178.95 3kox h VAL 653 N 0.89 1.29 -0.43 1.05 2.07 -1.02 -2.13 116.25 117.98 3kox h VAL 653 Ca 0.16 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3kox h VAL 653 Cb 0.53 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3kox h VAL 653 CO 0.03 0.46 0.22 0.44 0.02 0.00 0.00 177.57 178.74 3kox h ASP 654 N 0.52 0.54 -0.52 0.57 3.32 0.73 -2.38 116.42 119.21 3kox h ASP 654 Ca 0.06 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.04 3kox h ASP 654 Cb 0.82 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 3kox h ASP 654 CO 0.07 0.49 0.29 0.00 -1.72 0.00 0.00 179.24 178.36 3kox h ALA 655 N 1.08 0.66 -0.89 3.45 0.00 -0.47 -0.94 119.26 122.16 3kox h ALA 655 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.20 3kox h ALA 655 Cb 0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 3kox h ALA 655 CO -0.02 -0.03 0.50 0.00 0.00 0.00 0.00 179.25 179.69 3kox h ALA 656 N 1.25 1.34 -0.27 0.00 0.00 -0.94 0.57 119.26 121.21 3kox h ALA 656 Ca 0.22 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 3kox h ALA 656 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kox h ALA 656 CO -0.12 0.01 -0.53 0.82 0.00 0.00 0.00 179.25 179.42 3kox h ILE 657 N 0.74 1.28 -0.69 0.00 2.04 -0.91 -1.15 117.51 118.82 3kox h ILE 657 Ca 0.47 -1.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 3kox h ILE 657 Cb 0.59 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3kox h ILE 657 CO -0.32 0.56 0.37 -0.08 0.00 0.00 0.00 178.15 178.68 3kox h GLU 658 N 0.61 0.95 -0.02 2.37 4.81 -0.11 -3.06 114.58 120.12 3kox h GLU 658 Ca 0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3kox h GLU 658 Cb 1.15 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3kox h GLU 658 CO 0.12 0.70 -0.25 1.28 -0.73 0.00 0.00 179.01 180.13 3kox n LEU 659 N -4.37 2.08 -3.67 1.64 4.77 0.09 -4.96 117.00 112.58 3kox n LEU 659 Ca 0.07 -0.71 -0.23 0.00 -0.03 0.00 0.00 56.01 55.10 3kox n LEU 659 Cb 0.10 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3kox n LEU 659 CO 0.38 0.37 0.10 0.29 -1.33 0.00 0.00 177.39 177.19 3kox n LYS 660 N 0.29 -6.27 -1.19 3.23 5.02 -0.66 -4.95 118.16 113.63 3kox n LYS 660 Ca 0.12 0.72 -0.32 0.00 -2.02 0.00 0.00 58.31 56.81 3kox n LYS 660 Cb 0.47 -5.60 0.11 0.00 -0.02 0.00 0.00 35.03 29.99 3kox n LYS 660 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kox s ALA 661 N -3.41 2.04 -0.16 7.82 0.00 -0.53 -4.92 121.76 122.60 3kox s ALA 661 Ca 0.33 0.48 0.22 0.00 0.00 0.00 0.00 51.96 52.99 3kox s ALA 661 Cb -0.16 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 3kox s ALA 661 CO 0.78 -2.00 0.82 -0.25 0.00 0.00 0.00 175.76 175.10 3kox n ASP 662 N -3.47 0.56 -3.73 0.00 8.00 0.66 -4.92 116.55 113.66 3kox n ASP 662 Ca 0.11 0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.73 3kox n ASP 662 Cb 0.52 0.91 -0.06 0.00 -0.02 0.00 0.00 41.12 42.47 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 -3.34 -0.66 -0.22 2.24 0.00 -1.13 -1.46 121.76 117.19 3kox s ALA 663 Ca -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 3kox s ALA 663 Cb 0.11 0.54 -0.00 0.00 0.00 0.00 0.00 23.12 23.76 3kox s ALA 663 CO 0.83 -0.55 -0.06 0.42 0.00 0.00 0.00 175.76 176.41 3kox s ILE 664 N -3.51 3.24 -0.21 0.00 1.01 0.40 -1.73 121.20 120.40 3kox s ILE 664 Ca 0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 3kox s ILE 664 Cb 0.02 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3kox s ILE 664 CO -0.10 0.43 -0.02 -0.76 0.00 0.00 0.00 174.94 174.49 3kox s LEU 665 N 1.46 3.05 0.11 2.97 1.43 -0.38 0.18 118.68 127.50 3kox s LEU 665 Ca 0.06 -0.31 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 3kox s LEU 665 Cb -0.14 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3kox s LEU 665 CO -0.04 0.01 -0.13 0.00 0.23 0.00 0.00 176.35 176.42 3kox s ALA 666 N 1.31 1.35 0.08 4.21 0.00 -0.13 -3.09 121.76 125.48 3kox s ALA 666 Ca 0.04 -1.21 0.08 0.00 0.00 0.00 0.00 51.96 50.87 3kox s ALA 666 Cb -0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3kox s ALA 666 CO -0.01 0.09 -0.18 0.45 0.00 0.00 0.00 175.76 176.11 3kox s SER 667 N -2.30 3.82 -0.44 0.00 0.15 -0.33 -1.02 113.70 113.57 3kox s SER 667 Ca 0.06 -0.50 0.06 0.00 0.70 0.00 0.00 55.95 56.27 3kox s SER 667 Cb -0.05 -0.56 0.18 0.00 -1.71 0.00 0.00 66.02 63.87 3kox s SER 667 CO 0.02 0.22 0.58 0.28 1.20 0.00 0.00 173.24 175.54 3kox s THR 668 N -1.03 -0.75 -0.18 6.45 -1.32 -0.86 -1.50 115.64 116.45 3kox s THR 668 Ca 0.16 -0.76 -0.16 0.00 -1.21 0.00 0.00 61.69 59.72 3kox s THR 668 Cb -0.10 -0.24 -0.12 0.00 -1.51 0.00 0.00 72.50 70.52 3kox s THR 668 CO 0.07 -0.23 0.04 -0.38 -2.21 0.00 0.00 174.62 171.92 3kox n ILE 669 N 3.77 1.49 -1.80 5.08 2.08 -1.26 -4.38 119.36 124.33 3kox n ILE 669 Ca 0.15 0.07 -0.41 0.00 0.56 0.00 0.00 62.75 63.12 3kox n ILE 669 Cb 0.53 -2.19 -0.02 0.00 -0.75 0.00 0.00 39.64 37.22 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 -2.31 2.12 0.00 1.39 1.01 -1.26 -4.65 121.20 117.50 3kox s ILE 670 Ca -0.23 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3kox s ILE 670 Cb 0.04 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.45 3kox s ILE 670 CO 0.43 0.02 0.67 -1.54 0.00 0.00 0.00 174.94 174.52 3kox n SER 671 N 2.06 0.90 -4.69 3.58 3.41 -1.26 -3.93 113.62 113.69 3kox n SER 671 Ca 0.07 -1.42 -0.42 0.00 -0.26 0.00 0.00 58.87 56.85 3kox n SER 671 Cb 0.38 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 3kox n SER 671 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3kox s HIS 672 N -0.42 2.49 0.00 7.33 5.04 -1.26 -1.80 115.29 126.67 3kox s HIS 672 Ca 0.00 0.34 0.00 0.00 -1.54 0.00 0.00 55.06 53.86 3kox s HIS 672 Cb 0.00 -3.97 0.00 0.00 0.04 0.00 0.00 32.58 28.65 3kox s HIS 672 CO 0.00 -3.86 0.00 -3.47 -2.34 0.00 0.00 174.74 165.07 3kox n ASP 673 N 5.39 -2.64 -2.91 9.88 -0.08 -1.26 -2.97 116.55 121.96 3kox n ASP 673 Ca 0.16 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.24 3kox n ASP 673 Cb 0.40 -0.44 0.01 0.00 2.34 0.00 0.00 41.12 43.43 3kox n ASP 673 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3kox n ASP 674 N 1.18 -4.86 -0.04 1.67 8.00 -0.75 -4.89 116.55 116.87 3kox n ASP 674 Ca 0.00 -0.17 0.06 0.00 0.71 0.00 0.00 54.79 55.39 3kox n ASP 674 Cb 0.00 -4.00 0.44 0.00 -0.02 0.00 0.00 41.12 37.53 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 -0.76 1.05 0.04 0.53 6.09 -1.65 -1.50 117.51 121.31 3kox h ILE 675 Ca -0.44 -0.19 0.02 0.00 -1.37 0.00 0.00 64.86 62.89 3kox h ILE 675 Cb 1.31 0.46 -0.03 0.00 0.47 0.00 0.00 36.82 39.02 3kox h ILE 675 CO 0.51 0.10 -0.21 1.12 -3.07 0.00 0.00 178.15 176.60 3kox h HIS 676 N 0.54 -0.56 -0.37 2.19 2.07 -1.82 -0.33 115.15 116.88 3kox h HIS 676 Ca 0.20 0.02 -0.10 0.00 -2.85 0.00 0.00 60.37 57.63 3kox h HIS 676 Cb 0.11 0.24 -0.02 0.00 2.57 0.00 0.00 27.41 30.32 3kox h HIS 676 CO -0.00 -0.30 -0.19 1.88 -3.07 0.00 0.00 177.93 176.25 3kox h TYR 677 N -0.36 0.77 0.18 6.12 0.05 -1.87 -3.06 116.97 118.81 3kox h TYR 677 Ca 0.05 -0.16 0.01 0.00 0.05 0.00 0.00 58.73 58.68 3kox h TYR 677 Cb 0.41 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 3kox h TYR 677 CO -0.23 0.83 -0.42 0.87 -1.05 0.00 0.00 178.16 178.15 3kox h LYS 678 N 0.61 -0.67 -0.20 4.88 1.57 -0.97 -0.28 116.57 121.51 3kox h LYS 678 Ca 0.09 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3kox h LYS 678 Cb 0.66 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3kox h LYS 678 CO 0.05 -0.45 0.17 -0.91 -0.57 0.00 0.00 179.45 177.74 3kox h ASN 679 N -0.70 0.00 0.01 0.86 2.35 -1.01 0.74 115.58 117.83 3kox h ASN 679 Ca 0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3kox h ASN 679 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3kox h ASN 679 CO -0.21 0.00 -0.00 0.24 -1.65 0.00 0.00 177.43 175.81 3kox h MET 680 N 0.00 -0.01 -0.40 0.81 2.86 -1.23 -2.30 114.93 114.67 3kox h MET 680 Ca 0.10 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 3kox h MET 680 Cb 0.44 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.03 3kox h MET 680 CO -0.00 0.47 -0.13 -0.22 1.06 0.00 0.00 176.91 178.09 3kox h LYS 681 N -0.49 -0.03 -0.82 1.72 3.64 0.76 -1.59 116.57 119.76 3kox h LYS 681 Ca -0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 3kox h LYS 681 Cb 0.48 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.23 3kox h LYS 681 CO 0.00 -0.02 0.44 0.00 -2.27 0.00 0.00 179.45 177.60 3kox h ARG 682 N -0.04 0.66 -0.05 1.90 3.08 -0.94 -2.60 114.38 116.40 3kox h ARG 682 Ca 0.19 -0.04 -0.25 0.00 0.07 0.00 0.00 59.98 59.95 3kox h ARG 682 Cb 0.33 -0.15 0.02 0.00 0.08 0.00 0.00 29.97 30.25 3kox h ARG 682 CO -0.43 0.44 -0.94 0.82 -1.07 0.00 0.00 179.97 178.79 3kox h ILE 683 N 0.68 1.28 -0.63 2.04 5.03 -0.89 -0.95 117.51 124.08 3kox h ILE 683 Ca 0.42 -2.15 0.08 0.00 -0.12 0.00 0.00 64.86 63.09 3kox h ILE 683 Cb 0.50 2.25 -0.06 0.00 -3.03 0.00 0.00 36.82 36.48 3kox h ILE 683 CO -0.30 0.67 0.29 -0.74 -0.68 0.00 0.00 178.15 177.39 3kox h HIS 684 N 0.43 0.52 -0.02 1.37 -0.00 -1.24 -1.70 115.15 114.51 3kox h HIS 684 Ca -0.10 0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.08 3kox h HIS 684 Cb 1.59 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 28.86 3kox h HIS 684 CO 0.10 0.20 -0.87 0.93 -0.00 0.00 0.00 177.93 178.28 3kox h GLU 685 N 0.52 0.39 0.00 5.26 5.08 -1.32 -1.04 114.58 123.48 3kox h GLU 685 Ca 0.30 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3kox h GLU 685 Cb 0.30 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kox h GLU 685 CO -0.25 1.05 0.00 -0.07 -1.00 0.00 0.00 179.01 178.75 3kox h LEU 686 N 0.24 0.00 0.02 1.33 3.38 -1.00 0.54 115.31 119.81 3kox h LEU 686 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3kox h LEU 686 Cb 1.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 3kox h LEU 686 CO 0.15 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.40 3kox h ALA 687 N 2.06 0.03 -0.08 1.53 0.00 -0.73 -3.29 119.26 118.77 3kox h ALA 687 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.30 3kox h ALA 687 Cb 0.30 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3kox h ALA 687 CO 0.00 0.15 -0.13 0.28 0.00 0.00 0.00 179.25 179.55 3kox h VAL 688 N -0.91 0.00 0.00 0.00 2.07 -0.86 -0.88 116.25 115.68 3kox h VAL 688 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3kox h VAL 688 Cb 1.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3kox h VAL 688 CO -0.01 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.79 3kox n GLU 689 N -3.31 0.09 0.00 1.57 2.13 0.18 -0.92 120.64 120.38 3kox n GLU 689 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3kox n GLU 689 Cb 0.08 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.46 3kox n GLU 689 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3kox n LYS 690 N 0.81 0.00 0.00 5.31 5.02 -0.36 -4.95 118.16 123.99 3kox n LYS 690 Ca 0.00 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 3kox n LYS 690 Cb 0.04 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 3kox n LYS 690 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kox n GLY 691 N 0.00 2.74 0.01 0.72 0.00 -0.09 -4.87 105.19 103.70 3kox n GLY 691 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.14 0.13 -0.27 -0.61 -5.35 -1.17 -4.25 119.36 107.70 3kox n ILE 692 Ca 0.00 -0.02 0.26 0.00 -0.27 0.00 0.00 62.75 62.72 3kox n ILE 692 Cb 0.00 -0.54 0.61 0.00 -1.74 0.00 0.00 39.64 37.97 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 0.21 -0.01 6.28 9.65 -1.84 0.13 114.38 128.81 3kox h ARG 693 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3kox h ARG 693 Cb 0.52 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3kox h ARG 693 CO 0.00 0.14 -0.21 -0.40 2.80 0.00 0.00 179.97 182.30 3kox n ASP 694 N -4.42 0.84 -0.85 -3.80 5.75 -1.26 -3.72 116.55 109.08 3kox n ASP 694 Ca 0.22 -0.77 0.02 0.00 -0.01 0.00 0.00 54.79 54.26 3kox n ASP 694 Cb 0.93 0.07 0.20 0.00 -1.03 0.00 0.00 41.12 41.29 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 -0.77 1.89 -3.69 0.11 5.02 0.44 -5.01 118.16 116.14 3kox n LYS 695 Ca 0.13 -3.08 -0.11 0.00 -2.02 0.00 0.00 58.31 53.22 3kox n LYS 695 Cb 0.33 -1.74 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 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 -3.13 -0.01 -0.09 -0.18 -1.16 -1.18 -4.89 121.20 110.55 3kox s ILE 696 Ca 0.41 0.04 -0.11 0.00 -0.51 0.00 0.00 60.65 60.48 3kox s ILE 696 Cb 0.37 -0.69 -0.05 0.00 0.61 0.00 0.00 42.46 42.71 3kox s ILE 696 CO 0.00 0.02 0.25 -0.04 -2.81 0.00 0.00 174.94 172.36 3kox s MET 697 N 0.92 3.77 -0.16 3.50 -1.94 -0.53 -4.89 119.30 119.97 3kox s MET 697 Ca -0.05 0.08 0.00 0.00 -1.71 0.00 0.00 55.69 54.01 3kox s MET 697 Cb -0.06 -3.25 0.02 0.00 2.01 0.00 0.00 34.83 33.56 3kox s MET 697 CO -0.08 0.64 -0.14 0.42 -0.01 0.00 0.00 175.02 175.85 3kox s ILE 698 N -0.73 1.62 -0.05 2.53 1.01 -1.26 -0.45 121.20 123.87 3kox s ILE 698 Ca 0.18 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.16 3kox s ILE 698 Cb -0.14 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3kox s ILE 698 CO 0.07 0.42 -0.15 -0.83 0.00 0.00 0.00 174.94 174.45 3kox s GLY 699 N 1.46 1.52 -0.03 6.18 0.00 0.13 -2.35 107.32 114.22 3kox s GLY 699 Ca 0.04 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3kox s GLY 699 CO -0.11 -0.78 -0.07 0.00 0.00 0.00 0.00 173.10 172.14 3kox s GLY 701 N 0.40 1.73 0.00 0.00 0.00 -0.19 -0.50 107.32 108.76 3kox s GLY 701 Ca -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.80 3kox s GLY 701 CO 0.00 -1.75 0.00 0.61 0.00 0.00 0.00 173.10 171.97 3kox n GLY 702 N -0.52 2.80 0.30 0.20 0.00 -0.06 -2.03 105.19 105.88 3kox n GLY 702 Ca -0.05 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 2.56 0.26 -0.50 2.61 2.02 -1.84 -1.43 112.91 116.59 3kox h THR 703 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3kox h THR 703 Cb 0.00 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3kox h THR 703 CO 0.00 0.02 0.00 0.00 0.37 0.00 0.00 175.52 175.91 3kox n GLN 704 N -5.34 4.17 -3.06 6.66 1.13 -1.26 -3.92 117.38 115.76 3kox n GLN 704 Ca 0.18 -2.63 -0.41 0.00 -1.94 0.00 0.00 57.00 52.21 3kox n GLN 704 Cb 0.61 -2.10 -0.06 0.00 0.11 0.00 0.00 30.24 28.80 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 -2.39 4.96 -0.29 5.09 1.01 -0.54 -5.04 120.40 123.20 3kox s VAL 705 Ca 0.46 1.25 -0.17 0.00 0.00 0.00 0.00 61.98 63.52 3kox s VAL 705 Cb 0.34 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3kox s VAL 705 CO 0.15 0.03 0.48 -0.89 0.00 0.00 0.00 175.10 174.86 3kox s THR 706 N 2.38 5.08 0.25 3.92 2.01 -1.26 -3.75 115.64 124.27 3kox s THR 706 Ca 0.29 0.65 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 3kox s THR 706 Cb -0.16 -3.83 0.23 0.00 0.01 0.00 0.00 72.50 68.75 3kox s THR 706 CO 0.09 0.02 1.71 -0.65 -0.69 0.00 0.00 174.62 175.10 3kox h PRO 707 N 8.18 0.36 -0.56 4.92 0.11 -1.93 -1.62 132.00 141.45 3kox h PRO 707 Ca -0.29 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.80 3kox h PRO 707 Cb 1.14 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3kox h PRO 707 CO 0.71 0.24 0.37 0.93 -0.21 0.00 0.00 178.00 180.04 3kox h GLU 708 N 0.37 0.74 -0.20 1.05 3.07 -1.95 -1.06 114.58 116.59 3kox h GLU 708 Ca 0.42 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.20 3kox h GLU 708 Cb 0.69 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3kox h GLU 708 CO -0.46 0.49 -0.06 0.28 -1.40 0.00 0.00 179.01 177.86 3kox h VAL 709 N 0.76 1.16 -0.12 3.13 2.07 -1.74 -2.42 116.25 119.08 3kox h VAL 709 Ca 0.21 -0.67 -0.21 0.00 0.82 0.00 0.00 66.70 66.85 3kox h VAL 709 Cb -0.09 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3kox h VAL 709 CO -0.05 0.22 -0.76 0.00 0.02 0.00 0.00 177.57 177.00 3kox h ALA 710 N 1.65 0.43 -0.06 1.67 0.00 -0.77 -3.10 119.26 119.09 3kox h ALA 710 Ca 0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 3kox h ALA 710 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kox h ALA 710 CO 0.01 0.72 -0.40 0.28 0.00 0.00 0.00 179.25 179.86 3kox h VAL 711 N 0.43 1.30 0.00 0.00 2.07 -0.77 -2.40 116.25 116.87 3kox h VAL 711 Ca -0.04 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.04 3kox h VAL 711 Cb 1.37 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 3kox h VAL 711 CO 0.15 0.42 0.00 0.29 0.02 0.00 0.00 177.57 178.45 3kox n LYS 712 N -4.05 0.47 0.00 1.57 5.02 -0.95 -1.15 118.16 119.07 3kox n LYS 712 Ca -0.02 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.37 3kox n LYS 712 Cb 0.45 -1.40 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 3kox n LYS 712 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kox n GLN 713 N -0.90 0.74 0.00 1.97 1.13 -0.90 -4.98 117.38 114.44 3kox n GLN 713 Ca 0.09 -0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 3kox n GLN 713 Cb 0.04 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 28.98 3kox n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kox n GLY 714 N 1.44 0.90 3.90 1.08 0.00 -0.30 -4.37 105.19 107.84 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 3.25 -0.13 1.61 -7.23 -1.25 -4.95 120.40 109.70 3kox s VAL 715 Ca 0.00 0.16 -0.29 0.00 -1.81 0.00 0.00 61.98 60.04 3kox s VAL 715 Cb 0.00 -3.36 -0.26 0.00 0.56 0.00 0.00 36.38 33.32 3kox s VAL 715 CO 0.00 -0.43 0.81 0.44 -0.31 0.00 0.00 175.10 175.61 3kox h ASP 716 N -0.50 0.01 -4.68 4.85 3.32 -1.80 -3.39 116.42 114.23 3kox h ASP 716 Ca -0.45 -0.96 -0.19 0.00 0.02 0.00 0.00 57.03 55.44 3kox h ASP 716 Cb 1.27 -0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.59 3kox h ASP 716 CO 0.62 0.97 -0.71 0.00 -1.72 0.00 0.00 179.24 178.41 3kox s ALA 717 N -2.38 0.14 0.01 3.45 0.00 -1.20 -4.80 121.76 116.98 3kox s ALA 717 Ca -0.19 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.36 3kox s ALA 717 Cb -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3kox s ALA 717 CO 0.69 -0.11 -0.19 0.20 0.00 0.00 0.00 175.76 176.35 3kox s GLY 718 N -1.13 0.98 -0.07 0.00 0.00 -1.26 -1.63 107.32 104.20 3kox s GLY 718 Ca -0.12 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 43.70 3kox s GLY 718 CO -0.01 -0.79 -0.04 -1.36 0.00 0.00 0.00 173.10 170.90 3kox s PHE 719 N -0.59 0.97 0.00 1.90 0.08 0.34 -4.35 117.98 116.33 3kox s PHE 719 Ca 0.07 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.76 3kox s PHE 719 Cb -0.08 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.48 3kox s PHE 719 CO 0.00 -0.33 0.00 0.41 -0.10 0.00 0.00 175.22 175.21 3kox n GLY 720 N 4.63 4.90 2.72 4.36 0.00 -1.25 -0.88 105.19 119.68 3kox n GLY 720 Ca -0.15 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 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 0.00 -1.00 1.61 1.74 -1.25 -2.52 116.66 115.25 3kox n ARG 721 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kox n ARG 721 Cb 0.00 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 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 1.47 0.37 3.78 -0.13 0.00 -1.26 -5.01 105.19 104.41 3kox n GLY 722 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3kox n GLY 722 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kox s SER 723 N -2.02 5.33 0.14 1.61 0.01 -1.05 -5.05 113.70 112.67 3kox s SER 723 Ca 0.00 1.92 -0.00 0.00 1.31 0.00 0.00 55.95 59.18 3kox s SER 723 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3kox s SER 723 CO 0.00 -1.48 0.03 -0.54 0.41 0.00 0.00 173.24 171.66 3kox s LYS 724 N -4.14 0.97 0.41 12.44 1.02 -1.26 -4.85 119.74 124.33 3kox s LYS 724 Ca 0.65 -1.46 0.11 0.00 0.02 0.00 0.00 55.97 55.30 3kox s LYS 724 Cb -0.19 0.07 0.93 0.00 -0.52 0.00 0.00 37.83 38.12 3kox s LYS 724 CO 0.41 -0.21 1.95 0.78 -0.92 0.00 0.00 175.35 177.36 3kox h GLY 725 N 2.82 0.77 0.57 -3.33 0.00 -1.67 -1.70 103.07 100.52 3kox h GLY 725 Ca -0.36 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 46.81 3kox h GLY 725 CO 0.61 0.12 0.06 1.19 0.00 0.00 0.00 176.54 178.53 3kox h ILE 726 N 0.53 0.82 -0.16 2.60 6.09 -1.90 0.15 117.51 125.64 3kox h ILE 726 Ca 0.32 -0.06 -0.00 0.00 -1.37 0.00 0.00 64.86 63.75 3kox h ILE 726 Cb 0.54 0.62 -0.01 0.00 0.47 0.00 0.00 36.82 38.44 3kox h ILE 726 CO -0.11 0.03 0.09 0.45 -3.07 0.00 0.00 178.15 175.55 3kox h HIS 727 N 0.18 0.20 0.13 2.19 3.86 -1.69 -0.91 115.15 119.11 3kox h HIS 727 Ca 0.17 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.13 3kox h HIS 727 Cb 0.19 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.60 3kox h HIS 727 CO -0.19 0.14 -1.19 0.28 0.86 0.00 0.00 177.93 177.83 3kox h VAL 728 N 0.22 1.23 -0.28 2.45 2.07 -1.16 -2.72 116.25 118.05 3kox h VAL 728 Ca 0.06 -2.47 -0.12 0.00 0.82 0.00 0.00 66.70 64.98 3kox h VAL 728 Cb -0.00 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3kox h VAL 728 CO -0.01 0.72 -0.34 0.00 0.02 0.00 0.00 177.57 177.96 3kox h ALA 729 N 0.01 0.89 0.51 1.67 0.00 -0.82 -0.62 119.26 120.90 3kox h ALA 729 Ca -0.24 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 3kox h ALA 729 Cb 1.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3kox h ALA 729 CO 0.11 0.63 -0.38 1.15 0.00 0.00 0.00 179.25 180.76 3kox h THR 730 N 0.52 0.24 -0.72 0.00 2.02 -1.25 -0.78 112.91 112.93 3kox h THR 730 Ca 0.06 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.39 3kox h THR 730 Cb 0.83 0.24 -0.10 0.00 -1.74 0.00 0.00 68.15 67.37 3kox h THR 730 CO 0.07 0.00 0.20 0.15 0.37 0.00 0.00 175.52 176.31 3kox h PHE 731 N -0.86 0.32 -0.07 3.16 3.57 -1.37 0.23 116.94 121.92 3kox h PHE 731 Ca -0.05 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3kox h PHE 731 Cb 0.73 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 3kox h PHE 731 CO -0.15 -0.05 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.71 3kox h LEU 732 N 0.30 -0.30 -0.04 0.59 3.38 -0.62 -0.45 115.31 118.17 3kox h LEU 732 Ca 0.40 0.06 -0.26 0.00 0.09 0.00 0.00 57.88 58.17 3kox h LEU 732 Cb 0.67 0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.57 3kox h LEU 732 CO -0.48 -0.14 -0.99 -0.37 0.09 0.00 0.00 178.44 176.56 3kox h VAL 733 N -0.14 1.28 0.01 1.22 -1.51 -0.42 -1.59 116.25 115.10 3kox h VAL 733 Ca 0.06 -2.20 -0.00 0.00 -1.23 0.00 0.00 66.70 63.33 3kox h VAL 733 Cb 0.22 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 3kox h VAL 733 CO -0.15 0.68 -0.00 0.11 -1.23 0.00 0.00 177.57 176.98 3kox h LYS 734 N 0.42 -0.01 -0.38 5.19 1.57 -0.51 -2.40 116.57 120.44 3kox h LYS 734 Ca -0.11 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3kox h LYS 734 Cb 1.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.94 3kox h LYS 734 CO 0.19 0.01 -0.36 -0.22 -0.57 0.00 0.00 179.45 178.50 3kox h LYS 735 N -0.02 0.90 0.00 3.15 1.63 -1.13 -2.18 116.57 118.92 3kox h LYS 735 Ca -0.00 -0.46 -0.00 0.00 -0.85 0.00 0.00 60.65 59.34 3kox h LYS 735 Cb 0.02 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3kox h LYS 735 CO 0.00 1.11 -0.00 -0.09 -3.45 0.00 0.00 179.45 177.02 3kox h ARG 736 N 0.74 0.00 0.00 1.90 2.43 -1.17 -3.07 114.38 115.21 3kox h ARG 736 Ca 0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3kox h ARG 736 Cb 0.94 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3kox h ARG 736 CO 0.09 0.00 -0.13 0.00 -1.51 0.00 0.00 179.97 178.42 3kox h ARG 737 N 0.00 0.00 -4.29 0.20 3.08 -0.88 -3.29 114.38 109.20 3kox h ARG 737 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3kox h ARG 737 Cb 0.01 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.11 3kox h ARG 737 CO 0.00 0.17 2.23 -0.85 -1.07 0.00 0.00 179.97 180.45 3kox n GLU 738 N -4.72 1.42 0.00 0.04 0.28 -1.06 -0.76 120.64 115.84 3kox n GLU 738 Ca -0.04 -1.63 0.00 0.00 -0.16 0.00 0.00 57.16 55.33 3kox n GLU 738 Cb 0.13 -2.75 0.00 0.00 1.43 0.00 0.00 31.44 30.26 3kox n GLU 738 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 3kox n MET 739 N 6.44 0.00 0.00 3.44 1.56 -1.26 -4.95 117.12 122.36 3kox n MET 739 Ca 0.46 0.00 0.15 0.00 -0.27 0.00 0.00 57.70 58.05 3kox n MET 739 Cb 0.33 0.00 0.84 0.00 2.15 0.00 0.00 33.22 36.54 3kox n MET 739 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78