#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koy n GLN 6 N 0.00 0.00 -1.56 3.23 6.02 -1.26 -5.11 117.38 118.70 3koy n GLN 6 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3koy n GLN 6 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 3koy n GLN 6 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3koy n LEU 7 N 0.00 -2.22 -4.39 1.08 4.77 -1.26 -5.02 117.00 109.96 3koy n LEU 7 Ca 0.00 0.12 -0.31 0.00 -0.03 0.00 0.00 56.01 55.79 3koy n LEU 7 Cb 0.00 -1.12 -0.14 0.00 -2.33 0.00 0.00 43.42 39.83 3koy n LEU 7 CO 0.00 -0.21 -0.53 -0.13 -1.33 0.00 0.00 177.39 175.20 3koy s ARG 8 N -0.93 2.07 0.47 3.23 0.52 -1.26 -4.99 118.95 118.06 3koy s ARG 8 Ca -0.01 -0.96 0.27 0.00 -0.52 0.00 0.00 55.73 54.51 3koy s ARG 8 Cb 0.00 -2.12 1.32 0.00 0.52 0.00 0.00 34.95 34.67 3koy s ARG 8 CO 0.04 0.55 1.80 -0.39 0.02 0.00 0.00 175.30 177.32 3koy h VAL 9 N 4.22 0.48 -0.02 3.52 -1.51 -2.00 -1.27 116.25 119.68 3koy h VAL 9 Ca -0.46 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3koy h VAL 9 Cb 1.14 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 3koy h VAL 9 CO 0.47 0.04 -0.18 -0.46 -1.23 0.00 0.00 177.57 176.21 3koy n ASN 10 N -4.41 2.51 -4.39 4.19 6.94 -1.26 -4.85 115.26 113.99 3koy n ASN 10 Ca 0.24 -1.75 -0.37 0.00 -0.02 0.00 0.00 54.58 52.69 3koy n ASN 10 Cb 1.03 0.19 -0.13 0.00 -2.36 0.00 0.00 39.78 38.51 3koy n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3koy s GLU 11 N -2.06 3.42 1.04 -3.83 2.02 -0.48 -5.10 118.70 113.71 3koy s GLU 11 Ca 0.23 -0.63 -0.20 0.00 0.02 0.00 0.00 54.97 54.39 3koy s GLU 11 Cb 0.18 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 3koy s GLU 11 CO 0.38 -0.28 -0.49 1.63 0.02 0.00 0.00 175.26 176.52 3koy n LYS 12 N 4.89 -0.67 -2.41 1.61 5.02 -1.26 -4.45 118.16 120.87 3koy n LYS 12 Ca -0.16 -0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 55.53 3koy n LYS 12 Cb 0.50 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 3koy n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3koy s LEU 13 N 2.78 4.35 -1.17 -0.35 1.43 -1.26 -4.93 118.68 119.53 3koy s LEU 13 Ca 0.48 1.99 -0.20 0.00 -1.03 0.00 0.00 54.13 55.36 3koy s LEU 13 Cb -0.08 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.62 3koy s LEU 13 CO 0.69 -0.51 1.63 -0.62 0.23 0.00 0.00 176.35 177.78 3koy s ASP 14 N 1.19 6.57 0.25 2.29 -1.08 -1.26 -4.76 116.67 119.87 3koy s ASP 14 Ca 0.59 -1.94 -0.03 0.00 -0.52 0.00 0.00 52.55 50.64 3koy s ASP 14 Cb -0.29 -2.58 0.31 0.00 -1.46 0.00 0.00 42.92 38.91 3koy s ASP 14 CO 0.28 -1.44 1.77 1.62 0.52 0.00 0.00 175.17 177.91 3koy h VAL 15 N 6.16 1.24 -0.24 1.11 3.04 -1.96 -1.99 116.25 123.61 3koy h VAL 15 Ca 0.32 -0.95 0.06 0.00 -1.01 0.00 0.00 66.70 65.12 3koy h VAL 15 Cb 0.94 0.77 -0.07 0.00 -2.01 0.00 0.00 31.29 30.91 3koy h VAL 15 CO 1.43 0.35 -0.37 -0.33 -1.01 0.00 0.00 177.57 177.64 3koy h GLU 16 N 0.82 -0.37 0.00 4.17 5.08 -1.99 -2.57 114.58 119.72 3koy h GLU 16 Ca 0.17 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3koy h GLU 16 Cb 0.40 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3koy h GLU 16 CO 0.01 -0.24 -0.05 -0.97 -1.00 0.00 0.00 179.01 176.76 3koy h ASN 17 N -0.38 0.00 0.14 1.42 -1.24 -1.79 -2.98 115.58 110.74 3koy h ASN 17 Ca 0.11 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.96 3koy h ASN 17 Cb 0.57 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 3koy h ASN 17 CO -0.44 0.05 -0.58 0.40 -1.29 0.00 0.00 177.43 175.56 3koy h ILE 18 N 0.00 1.34 0.00 2.57 2.04 -0.96 -2.98 117.51 119.53 3koy h ILE 18 Ca -0.00 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 63.98 3koy h ILE 18 Cb 0.53 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3koy h ILE 18 CO 0.01 0.57 0.00 0.18 0.00 0.00 0.00 178.15 178.91 3koy n LEU 19 N -3.93 0.00 -4.77 1.44 4.77 -1.13 -4.72 117.00 108.67 3koy n LEU 19 Ca -0.03 0.47 -0.38 0.00 -0.03 0.00 0.00 56.01 56.04 3koy n LEU 19 Cb 0.62 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3koy n LEU 19 CO 0.46 -0.21 0.74 -0.54 -1.33 0.00 0.00 177.39 176.51 3koy s LYS 20 N -2.94 4.48 -1.65 3.23 1.02 -1.13 -3.96 119.74 118.78 3koy s LYS 20 Ca 0.09 1.60 0.00 0.00 0.02 0.00 0.00 55.97 57.67 3koy s LYS 20 Cb 0.10 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 3koy s LYS 20 CO 0.28 0.12 0.00 -0.25 -0.92 0.00 0.00 175.35 174.59 3koy n ASP 21 N 0.67 -4.90 0.13 2.83 8.00 -1.26 -4.84 116.55 117.17 3koy n ASP 21 Ca 0.01 0.39 0.19 0.00 0.71 0.00 0.00 54.79 56.09 3koy n ASP 21 Cb 0.47 -3.77 0.77 0.00 -0.02 0.00 0.00 41.12 38.57 3koy n ASP 21 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3koy h LEU 22 N 0.00 0.00 -2.06 0.64 3.38 -1.85 0.29 115.31 115.71 3koy h LEU 22 Ca -0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3koy h LEU 22 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3koy h LEU 22 CO 0.47 0.00 -0.04 -2.24 0.09 0.00 0.00 178.44 176.72 3koy h ASP 23 N 0.00 0.00 -0.52 -0.43 2.03 -1.92 -2.32 116.42 113.26 3koy h ASP 23 Ca 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 3koy h ASP 23 Cb 0.80 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 3koy h ASP 23 CO -0.00 0.04 0.00 0.29 -1.03 0.00 0.00 179.24 178.54 3koy n LYS 24 N -3.25 2.69 -2.92 4.15 5.02 0.10 -4.99 118.16 118.96 3koy n LYS 24 Ca -0.01 -2.33 -0.41 0.00 -2.02 0.00 0.00 58.31 53.54 3koy n LYS 24 Cb 0.22 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 3koy n LYS 24 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3koy s TYR 25 N -1.04 3.54 0.03 2.13 5.04 -0.88 -5.07 117.35 121.10 3koy s TYR 25 Ca 0.36 1.34 0.07 0.00 -2.44 0.00 0.00 57.07 56.41 3koy s TYR 25 Cb 0.19 -2.94 -0.03 0.00 0.35 0.00 0.00 41.96 39.53 3koy s TYR 25 CO 0.25 -0.05 -0.19 0.99 -1.34 0.00 0.00 175.55 175.22 3koy s THR 26 N 1.33 2.72 0.27 4.34 2.01 -1.26 -5.09 115.64 119.96 3koy s THR 26 Ca 0.41 -1.15 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 3koy s THR 26 Cb -0.18 -2.12 -0.10 0.00 0.01 0.00 0.00 72.50 70.11 3koy s THR 26 CO 0.18 0.38 1.38 -2.16 -0.69 0.00 0.00 174.62 173.72 3koy s PRO 27 N -1.29 4.31 0.49 4.92 0.04 -1.26 -4.89 135.00 137.31 3koy s PRO 27 Ca 0.14 2.25 0.26 0.00 0.04 0.00 0.00 61.00 63.69 3koy s PRO 27 Cb -0.10 -3.11 1.24 0.00 0.04 0.00 0.00 34.50 32.57 3koy s PRO 27 CO 0.04 -0.33 1.97 -0.22 0.04 0.00 0.00 177.00 178.50 3koy h LYS 28 N 4.55 0.00 -2.74 4.56 3.64 -1.94 -3.46 116.57 121.18 3koy h LYS 28 Ca -0.47 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.98 3koy h LYS 28 Cb 1.22 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.94 3koy h LYS 28 CO 0.74 0.16 0.32 -0.98 -2.27 0.00 0.00 179.45 177.42 3koy s ARG 29 N -3.95 1.33 0.34 1.90 1.70 -1.26 -5.19 118.95 113.82 3koy s ARG 29 Ca -0.01 -0.63 0.09 0.00 -0.47 0.00 0.00 55.73 54.71 3koy s ARG 29 Cb 0.12 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.96 3koy s ARG 29 CO 0.60 -0.60 0.00 1.03 -1.08 0.00 0.00 175.30 175.26 3koy s ARG 30 N -3.59 2.05 0.06 3.89 1.81 -1.26 -4.76 118.95 117.14 3koy s ARG 30 Ca 0.07 -1.77 0.00 0.00 -1.72 0.00 0.00 55.73 52.31 3koy s ARG 30 Cb -0.03 -1.90 0.00 0.00 -0.45 0.00 0.00 34.95 32.57 3koy s ARG 30 CO -0.04 0.14 0.00 0.41 -0.68 0.00 0.00 175.30 175.13 3koy n GLY 31 N -0.94 -1.50 3.86 -3.53 0.00 -1.11 -4.94 105.19 97.03 3koy n GLY 31 Ca -0.04 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 3koy n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3koy s TRP 32 N -1.38 3.55 -0.08 1.61 -0.11 -0.57 -4.59 118.94 117.37 3koy s TRP 32 Ca 0.00 0.97 0.04 0.00 1.22 0.00 0.00 56.10 58.33 3koy s TRP 32 Cb 0.00 -2.31 -0.00 0.00 -1.50 0.00 0.00 33.47 29.66 3koy s TRP 32 CO 0.00 0.39 -0.22 0.95 -4.62 0.00 0.00 176.95 173.45 3koy s THR 33 N -1.57 1.83 0.76 5.86 -4.23 -1.26 -5.02 115.64 112.01 3koy s THR 33 Ca 0.40 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.95 3koy s THR 33 Cb -0.14 -1.58 0.12 0.00 1.34 0.00 0.00 72.50 72.25 3koy s THR 33 CO 0.20 0.51 1.06 0.26 -0.54 0.00 0.00 174.62 176.10 3koy s TRP 34 N 0.22 1.98 0.27 3.99 0.52 -1.26 -4.84 118.94 119.81 3koy s TRP 34 Ca -0.12 0.04 -0.07 0.00 0.02 0.00 0.00 56.10 55.96 3koy s TRP 34 Cb -0.16 -3.27 -0.06 0.00 -1.15 0.00 0.00 33.47 28.83 3koy s TRP 34 CO 0.06 -1.79 0.56 1.03 0.02 0.00 0.00 176.95 176.82 3koy s ARG 35 N -5.30 3.70 0.20 4.98 0.52 -1.26 -5.03 118.95 116.75 3koy s ARG 35 Ca 0.66 0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 55.69 3koy s ARG 35 Cb -0.07 -2.64 -0.08 0.00 0.52 0.00 0.00 34.95 32.69 3koy s ARG 35 CO 0.46 0.24 1.06 -0.65 0.02 0.00 0.00 175.30 176.43 3koy s GLN 36 N -3.28 4.65 0.37 3.54 -1.52 -1.26 -4.99 119.66 117.17 3koy s GLN 36 Ca 0.45 1.66 -0.24 0.00 -1.95 0.00 0.00 55.36 55.28 3koy s GLN 36 Cb -0.11 -3.28 -0.10 0.00 -0.22 0.00 0.00 33.01 29.31 3koy s GLN 36 CO 0.27 0.18 0.99 -2.14 -0.25 0.00 0.00 175.29 174.34 3koy s PRO 37 N -0.62 4.34 -0.58 2.91 0.02 -1.26 -1.69 135.00 138.12 3koy s PRO 37 Ca 0.47 1.38 0.05 0.00 0.02 0.00 0.00 61.00 62.92 3koy s PRO 37 Cb -0.29 -2.59 0.18 0.00 0.02 0.00 0.00 34.50 31.83 3koy s PRO 37 CO 0.35 0.05 0.47 0.00 -0.33 0.00 0.00 177.00 177.53 3koy n ALA 38 N 0.10 3.22 -1.62 -1.55 0.00 -0.89 -4.60 120.51 115.17 3koy n ALA 38 Ca 0.04 -3.98 -0.49 0.00 0.00 0.00 0.00 53.44 49.01 3koy n ALA 38 Cb 0.50 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 3koy n ALA 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3koy n GLU 39 N 2.12 1.57 -4.33 0.00 4.71 -1.26 -2.10 120.64 121.35 3koy n GLU 39 Ca 0.25 0.57 -0.38 0.00 -0.01 0.00 0.00 57.16 57.58 3koy n GLU 39 Cb 0.41 -2.25 -0.05 0.00 -1.01 0.00 0.00 31.44 28.55 3koy n GLU 39 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3koy n ASN 40 N 2.83 -2.69 -4.68 1.62 3.02 -1.22 -4.82 115.26 109.32 3koy n ASN 40 Ca 0.17 -1.10 -0.42 0.00 -0.03 0.00 0.00 54.58 53.21 3koy n ASN 40 Cb 0.24 -2.35 -0.03 0.00 -0.61 0.00 0.00 39.78 37.02 3koy n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3koy s LEU 41 N -7.26 4.37 -0.09 3.41 2.96 -0.89 -4.66 118.68 116.51 3koy s LEU 41 Ca 0.75 2.48 -0.20 0.00 -0.22 0.00 0.00 54.13 56.94 3koy s LEU 41 Cb -0.42 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.67 3koy s LEU 41 CO 0.96 -0.92 0.54 -1.58 -1.32 0.00 0.00 176.35 174.04 3koy s GLN 42 N 3.10 4.36 -0.05 1.98 0.74 -1.26 -1.47 119.66 127.05 3koy s GLN 42 Ca 0.76 0.58 -0.01 0.00 0.05 0.00 0.00 55.36 56.74 3koy s GLN 42 Cb -0.39 -3.43 0.03 0.00 1.10 0.00 0.00 33.01 30.32 3koy s GLN 42 CO 0.33 0.16 0.01 -1.64 -0.55 0.00 0.00 175.29 173.60 3koy s MET 43 N 0.57 0.39 4.30 1.67 -1.94 -0.41 -5.00 119.30 118.87 3koy s MET 43 Ca 0.29 0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.42 3koy s MET 43 Cb -0.16 -0.73 0.00 0.00 2.01 0.00 0.00 34.83 35.95 3koy s MET 43 CO 0.13 -0.25 0.00 0.41 -0.01 0.00 0.00 175.02 175.30 3koy n GLY 44 N 4.84 3.31 0.53 -0.03 0.00 -1.26 -1.34 105.19 111.23 3koy n GLY 44 Ca -0.12 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3koy n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3koy n PRO 45 N 14.00 1.71 -4.59 1.61 -0.05 -1.26 -4.95 135.00 141.47 3koy n PRO 45 Ca 0.00 -1.06 -0.27 0.00 -0.05 0.00 0.00 63.50 62.12 3koy n PRO 45 Cb 0.00 -1.42 -0.14 0.00 -0.05 0.00 0.00 33.50 31.89 3koy n PRO 45 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 3koy s PHE 46 N -1.85 2.06 -0.14 0.54 0.08 -0.45 -5.12 117.98 113.10 3koy s PHE 46 Ca 0.34 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.93 3koy s PHE 46 Cb 0.19 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 3koy s PHE 46 CO 0.28 0.18 0.12 0.42 -0.10 0.00 0.00 175.22 176.12 3koy s ILE 47 N -0.93 5.30 -0.13 0.64 1.01 -1.26 -1.29 121.20 124.54 3koy s ILE 47 Ca 0.10 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.90 3koy s ILE 47 Cb -0.10 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 3koy s ILE 47 CO 0.03 0.57 -0.18 -0.31 0.00 0.00 0.00 174.94 175.05 3koy s TYR 48 N -0.65 2.71 -0.42 3.97 2.02 -0.55 -4.99 117.35 119.44 3koy s TYR 48 Ca 0.13 -0.96 0.23 0.00 -0.37 0.00 0.00 57.07 56.09 3koy s TYR 48 Cb -0.12 -1.81 0.10 0.00 -0.40 0.00 0.00 41.96 39.73 3koy s TYR 48 CO 0.02 -0.40 1.10 1.63 -1.57 0.00 0.00 175.55 176.34 3koy n LYS 49 N 3.74 0.45 -0.87 -0.62 5.02 -1.26 -2.97 118.16 121.65 3koy n LYS 49 Ca -0.19 0.07 0.05 0.00 -2.02 0.00 0.00 58.31 56.23 3koy n LYS 49 Cb 0.52 -1.73 0.12 0.00 -0.02 0.00 0.00 35.03 33.93 3koy n LYS 49 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3koy n ASP 50 N -2.35 1.41 -4.96 4.39 8.00 -1.26 -4.79 116.55 116.99 3koy n ASP 50 Ca 0.01 -3.05 -0.22 0.00 0.71 0.00 0.00 54.79 52.24 3koy n ASP 50 Cb 0.50 -0.42 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 3koy n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koy s ALA 51 N -1.87 3.83 0.44 2.24 0.00 -1.26 -2.84 121.76 122.31 3koy s ALA 51 Ca 0.34 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 51.24 3koy s ALA 51 Cb 0.35 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 3koy s ALA 51 CO -0.09 -0.31 0.23 -1.54 0.00 0.00 0.00 175.76 174.05 3koy s SER 52 N -4.20 4.50 0.22 0.00 1.04 0.11 -2.09 113.70 113.28 3koy s SER 52 Ca 0.47 -1.12 -0.32 0.00 0.48 0.00 0.00 55.95 55.47 3koy s SER 52 Cb -0.10 -0.25 -0.14 0.00 0.10 0.00 0.00 66.02 65.63 3koy s SER 52 CO 0.37 -0.68 1.32 0.41 0.98 0.00 0.00 173.24 175.64 3koy n THR 53 N -1.36 0.97 -1.39 2.02 -1.04 -0.68 -4.42 114.28 108.36 3koy n THR 53 Ca -0.02 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.05 61.45 3koy n THR 53 Cb 0.64 -1.27 0.13 0.00 -1.82 0.00 0.00 70.33 68.01 3koy n THR 53 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3koy s PRO 54 N -0.44 1.39 0.23 -2.82 0.02 -1.26 -4.78 135.00 127.33 3koy s PRO 54 Ca 0.69 0.60 -0.13 0.00 0.02 0.00 0.00 61.00 62.18 3koy s PRO 54 Cb -0.71 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 31.89 3koy s PRO 54 CO 0.51 -2.10 0.61 -0.51 -0.33 0.00 0.00 177.00 175.18 3koy s LEU 55 N -6.07 4.20 0.04 -5.54 1.43 -1.26 -4.99 118.68 106.50 3koy s LEU 55 Ca 0.63 1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 54.60 3koy s LEU 55 Cb -0.16 -3.67 -0.14 0.00 0.03 0.00 0.00 46.19 42.25 3koy s LEU 55 CO 0.55 -0.05 1.43 -0.33 0.23 0.00 0.00 176.35 178.18 3koy h GLU 56 N 2.80 0.22 -5.82 1.70 5.08 -1.51 -3.43 114.58 113.63 3koy h GLU 56 Ca -0.48 -0.08 -0.60 0.00 -1.00 0.00 0.00 59.36 57.20 3koy h GLU 56 Cb 1.18 -0.01 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 3koy h GLU 56 CO 0.67 0.52 -0.85 -0.80 -1.00 0.00 0.00 179.01 177.55 3koy s ASN 57 N -5.80 2.40 0.14 1.42 0.01 -1.17 -5.05 114.94 106.89 3koy s ASN 57 Ca -0.14 -0.38 -0.08 0.00 -0.71 0.00 0.00 52.86 51.55 3koy s ASN 57 Cb 0.05 -0.40 0.03 0.00 0.41 0.00 0.00 41.25 41.33 3koy s ASN 57 CO 0.71 0.23 0.40 -1.54 -1.51 0.00 0.00 177.10 175.39 3koy n SER 58 N 2.76 -0.92 -3.96 -1.22 3.41 -1.26 -4.65 113.62 107.78 3koy n SER 58 Ca -0.16 -1.59 -0.31 0.00 -0.26 0.00 0.00 58.87 56.56 3koy n SER 58 Cb 0.53 1.53 -0.15 0.00 -0.26 0.00 0.00 64.21 65.85 3koy n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3koy s VAL 59 N -2.49 1.61 0.76 -3.33 1.01 0.03 -4.99 120.40 112.98 3koy s VAL 59 Ca 0.08 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 3koy s VAL 59 Cb -0.02 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.55 3koy s VAL 59 CO 0.04 -0.10 1.08 0.00 0.00 0.00 0.00 175.10 176.13 3koy s ALA 60 N 1.36 2.40 0.62 5.51 0.00 -1.26 -4.67 121.76 125.72 3koy s ALA 60 Ca -0.06 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 3koy s ALA 60 Cb -0.19 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3koy s ALA 60 CO -0.06 -1.55 1.10 1.28 0.00 0.00 0.00 175.76 176.53 3koy n LEU 61 N -3.33 4.61 -0.27 0.00 4.77 -1.26 -4.86 117.00 116.65 3koy n LEU 61 Ca 0.07 0.82 -0.06 0.00 -0.03 0.00 0.00 56.01 56.81 3koy n LEU 61 Cb 0.55 -1.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 3koy n LEU 61 CO 0.56 -1.51 0.58 -0.65 -1.33 0.00 0.00 177.39 175.04 3koy h PRO 62 N 0.53 -0.12 -0.50 3.23 0.11 -2.00 -0.05 132.00 133.20 3koy h PRO 62 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3koy h PRO 62 Cb 1.35 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3koy h PRO 62 CO 0.52 -0.08 0.00 0.43 -0.21 0.00 0.00 178.00 178.66 3koy n SER 63 N -5.42 0.50 0.07 -2.05 7.64 -1.26 -2.32 113.62 110.79 3koy n SER 63 Ca 0.05 -1.72 0.12 0.00 1.01 0.00 0.00 58.87 58.32 3koy n SER 63 Cb 0.36 -0.25 0.46 0.00 -1.01 0.00 0.00 64.21 63.77 3koy n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3koy n ALA 64 N -0.17 2.00 0.11 -0.43 0.00 -0.03 -3.20 120.51 118.78 3koy n ALA 64 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.45 3koy n ALA 64 Cb 0.12 -1.40 0.38 0.00 0.00 0.00 0.00 19.45 18.55 3koy n ALA 64 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3koy h LYS 65 N 0.00 0.26 0.00 0.00 2.10 -1.65 0.16 116.57 117.45 3koy h LYS 65 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3koy h LYS 65 Cb 0.49 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 3koy h LYS 65 CO 0.00 0.39 0.00 0.66 -2.00 0.00 0.00 179.45 178.50 3koy n TYR 66 N -4.27 0.00 -2.67 0.07 4.01 -1.19 -3.57 117.16 109.53 3koy n TYR 66 Ca -0.01 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.67 3koy n TYR 66 Cb 0.27 -0.16 0.04 0.00 -0.31 0.00 0.00 39.34 39.17 3koy n TYR 66 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3koy n PHE 67 N -1.16 1.57 -2.67 -0.72 3.72 -0.62 -5.00 117.46 112.59 3koy n PHE 67 Ca 0.14 -2.26 -0.11 0.00 -0.05 0.00 0.00 57.45 55.17 3koy n PHE 67 Cb 0.14 -0.26 0.02 0.00 -0.94 0.00 0.00 39.48 38.44 3koy n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3koy n GLY 68 N -0.55 0.14 3.64 1.37 0.00 -1.17 -3.09 105.19 105.53 3koy n GLY 68 Ca 0.15 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 3koy n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3koy n ASP 69 N -0.30 -0.50 -4.75 1.61 8.00 0.46 -4.89 116.55 116.18 3koy n ASP 69 Ca -0.05 -0.86 -0.41 0.00 0.71 0.00 0.00 54.79 54.18 3koy n ASP 69 Cb 0.55 -1.09 -0.02 0.00 -0.02 0.00 0.00 41.12 40.54 3koy n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3koy s ILE 70 N -3.09 2.48 -0.60 0.53 -4.36 -1.18 -4.81 121.20 110.18 3koy s ILE 70 Ca 0.35 0.41 0.05 0.00 -0.26 0.00 0.00 60.65 61.20 3koy s ILE 70 Cb -0.20 -3.26 0.20 0.00 1.25 0.00 0.00 42.46 40.44 3koy s ILE 70 CO 0.69 0.07 0.53 -0.67 0.24 0.00 0.00 174.94 175.80 3koy n ASP 71 N 2.29 2.19 -4.77 4.36 2.03 -1.26 -4.70 116.55 116.69 3koy n ASP 71 Ca 0.07 -3.04 -0.39 0.00 0.52 0.00 0.00 54.79 51.95 3koy n ASP 71 Cb 0.39 -0.68 -0.00 0.00 -0.72 0.00 0.00 41.12 40.11 3koy n ASP 71 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3koy s PRO 72 N -1.38 3.88 -0.14 -0.67 0.04 -1.26 -4.63 135.00 130.84 3koy s PRO 72 Ca 0.31 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.42 3koy s PRO 72 Cb 0.04 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 3koy s PRO 72 CO -0.13 -0.54 -0.14 -0.65 0.04 0.00 0.00 177.00 175.58 3koy s GLN 73 N -2.37 3.32 1.23 4.56 -1.52 -1.26 -4.99 119.66 118.63 3koy s GLN 73 Ca 0.59 -0.71 -0.16 0.00 -1.95 0.00 0.00 55.36 53.13 3koy s GLN 73 Cb -0.36 -2.62 0.30 0.00 -0.22 0.00 0.00 33.01 30.11 3koy s GLN 73 CO 0.45 0.14 1.01 -1.25 -0.25 0.00 0.00 175.29 175.40 3koy s PRO 74 N 0.51 -1.44 0.22 2.91 0.04 -1.26 0.09 135.00 136.07 3koy s PRO 74 Ca -0.09 0.53 0.12 0.00 0.04 0.00 0.00 61.00 61.59 3koy s PRO 74 Cb -0.16 -1.52 0.02 0.00 0.04 0.00 0.00 34.50 32.88 3koy s PRO 74 CO 0.04 -3.99 1.41 1.37 0.04 0.00 0.00 177.00 175.87 3koy h LEU 75 N -2.80 0.00 -9.82 -3.56 -0.00 -1.80 -3.33 115.31 93.99 3koy h LEU 75 Ca -0.56 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 56.84 3koy h LEU 75 Cb 1.34 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.98 3koy h LEU 75 CO 0.45 0.72 0.37 -2.84 -0.00 0.00 0.00 178.44 177.14 3koy s PRO 76 N -2.95 4.68 0.07 0.17 0.02 -1.26 -4.54 135.00 131.19 3koy s PRO 76 Ca 0.02 1.48 -0.32 0.00 0.02 0.00 0.00 61.00 62.20 3koy s PRO 76 Cb 0.09 -3.05 -0.11 0.00 0.02 0.00 0.00 34.50 31.46 3koy s PRO 76 CO 0.77 0.34 1.84 0.28 -0.33 0.00 0.00 177.00 179.91 3koy n VAL 77 N 1.01 0.44 -3.50 3.83 0.31 -1.14 -4.75 118.33 114.53 3koy n VAL 77 Ca 0.00 -0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 63.87 3koy n VAL 77 Cb 0.48 -2.04 -0.09 0.00 -0.91 0.00 0.00 33.84 31.28 3koy n VAL 77 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3koy s ILE 78 N 3.11 5.25 0.30 2.52 -1.09 -1.26 -0.76 121.20 129.27 3koy s ILE 78 Ca 0.85 0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 59.69 3koy s ILE 78 Cb -0.54 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 3koy s ILE 78 CO 0.41 0.25 0.52 -0.89 -1.23 0.00 0.00 174.94 174.00 3koy s THR 79 N 1.55 5.10 -0.13 2.92 2.01 -1.11 -2.18 115.64 123.80 3koy s THR 79 Ca 0.13 -0.27 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 3koy s THR 79 Cb -0.15 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.61 3koy s THR 79 CO 0.08 -0.40 0.32 0.28 -0.69 0.00 0.00 174.62 174.22 3koy s THR 80 N -2.14 -0.02 -0.40 -0.82 -1.32 0.10 -3.26 115.64 107.78 3koy s THR 80 Ca 0.41 0.07 -0.20 0.00 -1.21 0.00 0.00 61.69 60.75 3koy s THR 80 Cb -0.10 -0.47 0.01 0.00 -1.51 0.00 0.00 72.50 70.43 3koy s THR 80 CO 0.32 0.03 0.62 -1.61 -2.21 0.00 0.00 174.62 171.77 3koy s GLU 81 N 0.79 3.44 -0.21 7.08 2.02 -1.26 -1.13 118.70 129.43 3koy s GLU 81 Ca -0.05 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 54.73 3koy s GLU 81 Cb -0.06 -3.89 0.05 0.00 0.10 0.00 0.00 34.13 30.33 3koy s GLU 81 CO -0.05 -0.88 -0.07 0.42 0.02 0.00 0.00 175.26 174.70 3koy s ILE 82 N 2.72 1.53 -0.30 -1.63 1.01 -0.56 -4.95 121.20 119.03 3koy s ILE 82 Ca 0.22 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 3koy s ILE 82 Cb -0.14 -1.71 0.19 0.00 0.01 0.00 0.00 42.46 40.80 3koy s ILE 82 CO 0.17 0.03 1.03 0.00 0.00 0.00 0.00 174.94 176.17 3koy s ALA 83 N 1.42 -4.02 -0.96 9.38 0.00 -1.26 -4.37 121.76 121.95 3koy s ALA 83 Ca -0.03 1.34 0.08 0.00 0.00 0.00 0.00 51.96 53.35 3koy s ALA 83 Cb -0.17 -2.84 0.05 0.00 0.00 0.00 0.00 23.12 20.16 3koy s ALA 83 CO -0.07 -2.11 0.71 -1.13 0.00 0.00 0.00 175.76 173.16 3koy n SER 84 N 5.04 1.54 0.00 0.00 3.41 -1.26 -3.98 113.62 118.37 3koy n SER 84 Ca 0.09 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 3koy n SER 84 Cb 0.58 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3koy n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3koy n GLY 85 N 0.55 1.74 2.95 5.00 0.00 -1.19 -4.73 105.19 109.51 3koy n GLY 85 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3koy n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3koy s ARG 86 N -0.03 2.11 0.56 1.61 0.52 -1.26 -1.61 118.95 120.85 3koy s ARG 86 Ca 0.00 -2.75 0.32 0.00 -0.52 0.00 0.00 55.73 52.77 3koy s ARG 86 Cb 0.00 -3.37 1.47 0.00 0.52 0.00 0.00 34.95 33.57 3koy s ARG 86 CO 0.00 -1.14 1.84 0.27 0.02 0.00 0.00 175.30 176.29 3koy h PHE 87 N 6.33 0.00 0.00 -0.53 -5.15 -1.94 -0.39 116.94 115.27 3koy h PHE 87 Ca -0.04 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.70 3koy h PHE 87 Cb 0.87 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.04 3koy h PHE 87 CO 0.56 0.00 -0.15 1.05 -2.00 0.00 0.00 178.31 177.77 3koy h GLU 88 N 0.00 0.00 -0.01 6.09 9.09 -1.99 -0.56 114.58 127.21 3koy h GLU 88 Ca 0.40 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.75 3koy h GLU 88 Cb 1.76 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.86 3koy h GLU 88 CO -0.00 0.15 -0.24 -0.44 0.05 0.00 0.00 179.01 178.53 3koy h ASP 89 N 0.00 0.22 -0.83 3.06 3.32 -1.40 -3.36 116.42 117.42 3koy h ASP 89 Ca -0.00 -0.76 0.21 0.00 0.02 0.00 0.00 57.03 56.50 3koy h ASP 89 Cb 0.94 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.29 3koy h ASP 89 CO 0.02 0.95 0.20 0.44 -1.72 0.00 0.00 179.24 179.13 3koy h ASP 90 N -0.49 -0.03 -0.99 6.45 5.19 -1.12 0.10 116.42 125.55 3koy h ASP 90 Ca -0.03 0.18 0.30 0.00 -0.62 0.00 0.00 57.03 56.86 3koy h ASP 90 Cb 0.98 0.25 -0.14 0.00 0.18 0.00 0.00 39.33 40.60 3koy h ASP 90 CO 0.05 -0.12 0.53 0.40 -3.12 0.00 0.00 179.24 176.98 3koy h ILE 91 N 0.22 0.35 -0.27 0.35 2.04 -1.26 0.24 117.51 119.17 3koy h ILE 91 Ca 0.50 -0.12 -0.17 0.00 1.00 0.00 0.00 64.86 66.07 3koy h ILE 91 Cb 0.97 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3koy h ILE 91 CO -0.62 0.07 -0.52 0.03 0.00 0.00 0.00 178.15 177.11 3koy h ARG 92 N 0.36 0.76 -0.63 2.37 3.08 -1.17 -2.65 114.38 116.50 3koy h ARG 92 Ca 0.69 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3koy h ARG 92 Cb 1.51 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.58 3koy h ARG 92 CO -0.59 1.09 0.32 -0.09 -1.07 0.00 0.00 179.97 179.64 3koy h ARG 93 N 0.59 0.89 -0.57 0.04 2.43 -0.65 -2.55 114.38 114.57 3koy h ARG 93 Ca 0.02 -0.12 0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3koy h ARG 93 Cb 1.10 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.40 3koy h ARG 93 CO 0.11 0.69 0.13 0.52 -1.51 0.00 0.00 179.97 179.91 3koy h MET 94 N 0.86 0.26 -0.95 0.20 2.86 -0.55 -0.18 114.93 117.42 3koy h MET 94 Ca 0.22 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3koy h MET 94 Cb 0.08 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 3koy h MET 94 CO -0.03 0.17 0.57 -0.09 1.06 0.00 0.00 176.91 178.59 3koy h ARG 95 N 0.26 1.29 0.32 1.72 2.43 -1.21 0.44 114.38 119.63 3koy h ARG 95 Ca 0.29 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3koy h ARG 95 Cb 0.41 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3koy h ARG 95 CO -0.37 0.90 -0.28 0.52 -1.51 0.00 0.00 179.97 179.23 3koy h MET 96 N 1.31 -0.57 -0.85 0.20 2.86 -0.80 -2.90 114.93 114.17 3koy h MET 96 Ca 0.34 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.13 3koy h MET 96 Cb -0.06 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 3koy h MET 96 CO -0.06 -0.38 0.55 0.00 1.06 0.00 0.00 176.91 178.08 3koy h ALA 97 N -1.33 1.75 -0.84 6.32 0.00 -0.96 -1.98 119.26 122.22 3koy h ALA 97 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3koy h ALA 97 Cb 0.51 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3koy h ALA 97 CO -0.01 0.06 0.55 0.00 0.00 0.00 0.00 179.25 179.85 3koy h ALA 98 N 1.59 1.55 0.00 0.00 0.00 -0.83 0.77 119.26 122.33 3koy h ALA 98 Ca 0.41 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 3koy h ALA 98 Cb 0.52 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3koy h ALA 98 CO -0.17 0.34 -0.37 -1.49 0.00 0.00 0.00 179.25 177.56 3koy h TRP 99 N 0.97 0.00 -0.39 0.00 4.06 -1.16 -2.99 115.95 116.43 3koy h TRP 99 Ca 0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.30 3koy h TRP 99 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 3koy h TRP 99 CO -0.00 0.37 0.00 0.72 -3.56 0.00 0.00 178.44 175.97 3koy n HIS 100 N -3.31 0.51 0.00 0.49 8.25 0.19 -0.79 115.22 120.57 3koy n HIS 100 Ca 0.01 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3koy n HIS 100 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 3koy n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3koy n GLY 101 N 1.18 2.23 3.71 -1.41 0.00 -0.77 -4.38 105.19 105.75 3koy n GLY 101 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3koy n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy s ALA 102 N -2.07 3.76 -0.01 4.61 0.00 -0.93 -4.73 121.76 122.39 3koy s ALA 102 Ca 0.00 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.33 3koy s ALA 102 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.52 3koy s ALA 102 CO 0.00 -0.82 0.91 -0.40 0.00 0.00 0.00 175.76 175.46 3koy n ASP 103 N 4.18 1.55 -3.61 0.00 5.75 -0.93 -4.29 116.55 119.21 3koy n ASP 103 Ca 0.14 -1.92 -0.28 0.00 -0.01 0.00 0.00 54.79 52.72 3koy n ASP 103 Cb 0.39 -0.06 -0.16 0.00 -1.03 0.00 0.00 41.12 40.26 3koy n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3koy s HIS 104 N -0.97 0.54 -0.27 2.11 5.04 -0.97 0.53 115.29 121.30 3koy s HIS 104 Ca 0.04 -0.81 -0.08 0.00 -1.54 0.00 0.00 55.06 52.67 3koy s HIS 104 Cb 0.03 -0.95 -0.02 0.00 0.04 0.00 0.00 32.58 31.68 3koy s HIS 104 CO 0.00 -0.71 0.11 0.42 -2.34 0.00 0.00 174.74 172.22 3koy s ILE 105 N 2.02 4.52 -0.24 0.89 -1.09 -0.63 -0.72 121.20 125.96 3koy s ILE 105 Ca 0.06 -0.21 -0.04 0.00 -2.23 0.00 0.00 60.65 58.23 3koy s ILE 105 Cb -0.16 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 3koy s ILE 105 CO -0.23 0.24 -0.03 -0.32 -1.23 0.00 0.00 174.94 173.37 3koy s MET 106 N 1.63 3.23 -0.44 2.79 1.75 -0.28 -1.36 119.30 126.62 3koy s MET 106 Ca 0.06 -0.73 -0.17 0.00 -1.25 0.00 0.00 55.69 53.60 3koy s MET 106 Cb -0.16 -3.06 0.03 0.00 2.84 0.00 0.00 34.83 34.49 3koy s MET 106 CO 0.05 -0.27 0.43 0.08 -0.65 0.00 0.00 175.02 174.65 3koy s VAL 107 N 1.45 5.12 0.40 10.11 1.01 0.34 -1.49 120.40 137.34 3koy s VAL 107 Ca 0.04 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 3koy s VAL 107 Cb -0.15 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 3koy s VAL 107 CO -0.03 -0.48 1.22 -0.63 0.00 0.00 0.00 175.10 175.18 3koy s ILE 108 N 2.02 2.95 0.50 2.22 -1.09 -1.26 -4.41 121.20 122.12 3koy s ILE 108 Ca 0.10 0.81 -0.18 0.00 -2.23 0.00 0.00 60.65 59.15 3koy s ILE 108 Cb -0.19 -3.46 -0.08 0.00 -1.58 0.00 0.00 42.46 37.14 3koy s ILE 108 CO 0.11 0.09 0.99 -0.13 -1.23 0.00 0.00 174.94 174.77 3koy s ARG 109 N -2.28 3.96 0.53 2.79 0.52 -1.26 -1.35 118.95 121.86 3koy s ARG 109 Ca 0.57 1.05 -0.21 0.00 -0.52 0.00 0.00 55.73 56.62 3koy s ARG 109 Cb -0.33 -2.14 -0.07 0.00 0.52 0.00 0.00 34.95 32.93 3koy s ARG 109 CO 0.42 -0.27 1.00 -2.37 0.02 0.00 0.00 175.30 174.11 3koy n THR 110 N -1.33 3.17 -1.70 0.02 5.66 -0.47 -4.24 114.28 115.39 3koy n THR 110 Ca 0.07 -0.50 -0.54 0.00 -3.05 0.00 0.00 64.05 60.03 3koy n THR 110 Cb 0.54 -1.19 -0.06 0.00 -1.55 0.00 0.00 70.33 68.07 3koy n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3koy n ALA 111 N -1.21 0.22 -0.81 1.79 0.00 -0.69 -2.06 120.51 117.76 3koy n ALA 111 Ca 0.12 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3koy n ALA 111 Cb 0.44 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3koy n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3koy n GLY 112 N 4.26 0.52 0.32 0.00 0.00 -1.26 -4.95 105.19 104.08 3koy n GLY 112 Ca 0.25 -0.74 0.21 0.00 0.00 0.00 0.00 46.02 45.74 3koy n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3koy h GLN 113 N 0.26 0.00 -0.83 1.61 4.15 -1.74 -1.66 115.11 116.90 3koy h GLN 113 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.57 3koy h GLN 113 Cb 0.00 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 3koy h GLN 113 CO 0.00 0.00 0.54 0.77 -1.93 0.00 0.00 178.83 178.21 3koy h SER 114 N 0.00 0.50 1.15 -0.69 0.02 -1.87 -1.64 113.55 111.02 3koy h SER 114 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3koy h SER 114 Cb 0.17 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3koy h SER 114 CO 0.00 0.25 -0.13 1.41 -1.14 0.00 0.00 176.83 177.22 3koy n HIS 115 N -4.52 0.48 -1.63 3.45 8.25 -0.62 -1.24 115.22 119.40 3koy n HIS 115 Ca 0.16 0.14 -0.40 0.00 -0.26 0.00 0.00 57.72 57.36 3koy n HIS 115 Cb 0.52 -0.69 -0.03 0.00 1.12 0.00 0.00 29.99 30.91 3koy n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3koy s TYR 116 N -3.07 1.18 0.00 4.41 2.02 -0.62 -4.85 117.35 116.42 3koy s TYR 116 Ca 0.11 0.99 -0.04 0.00 -0.37 0.00 0.00 57.07 57.76 3koy s TYR 116 Cb 0.15 -3.80 -0.20 0.00 -0.40 0.00 0.00 41.96 37.71 3koy s TYR 116 CO 0.60 -3.30 2.86 -3.47 -1.57 0.00 0.00 175.55 170.67 3koy n ASP 117 N 13.44 4.06 0.00 2.29 2.03 -1.26 -4.30 116.55 132.81 3koy n ASP 117 Ca 0.32 -2.25 0.00 0.00 0.52 0.00 0.00 54.79 53.38 3koy n ASP 117 Cb 0.49 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 3koy n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3koy n GLY 118 N 2.57 1.56 3.70 0.27 0.00 -1.26 -4.99 105.19 107.04 3koy n GLY 118 Ca 0.32 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 3koy n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3koy s LEU 119 N 0.00 2.94 0.50 0.99 1.43 -1.26 -4.99 118.68 118.29 3koy s LEU 119 Ca 0.00 2.16 0.02 0.00 -1.03 0.00 0.00 54.13 55.27 3koy s LEU 119 Cb 0.00 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 3koy s LEU 119 CO 0.00 -2.82 0.01 0.27 0.23 0.00 0.00 176.35 174.03 3koy s ILE 120 N -2.60 1.23 0.12 -0.59 -4.36 -1.26 -5.15 121.20 108.58 3koy s ILE 120 Ca 0.67 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.08 3koy s ILE 120 Cb -0.23 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.22 3koy s ILE 120 CO 0.56 0.00 -0.05 -1.61 0.24 0.00 0.00 174.94 174.08 3koy s GLU 121 N -3.87 0.91 2.85 0.37 0.41 -1.26 -4.38 118.70 113.73 3koy s GLU 121 Ca 0.08 -1.39 0.00 0.00 -0.41 0.00 0.00 54.97 53.25 3koy s GLU 121 Cb 0.02 -0.23 0.00 0.00 -1.78 0.00 0.00 34.13 32.14 3koy s GLU 121 CO 0.04 -0.04 0.00 0.41 -0.49 0.00 0.00 175.26 175.18 3koy n GLY 122 N -0.10 -0.02 2.57 -1.39 0.00 -1.24 -4.57 105.19 100.44 3koy n GLY 122 Ca -0.11 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 3koy n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3koy n THR 123 N 0.00 1.55 -1.01 2.61 -2.24 -1.26 -4.48 114.28 109.45 3koy n THR 123 Ca 0.00 -4.67 -0.32 0.00 -2.27 0.00 0.00 64.05 56.79 3koy n THR 123 Cb 0.00 -0.63 0.13 0.00 -2.10 0.00 0.00 70.33 67.74 3koy n THR 123 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3koy s PRO 124 N -3.10 1.53 0.51 -0.78 0.04 -1.21 -3.23 135.00 128.76 3koy s PRO 124 Ca 0.42 1.60 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 3koy s PRO 124 Cb 0.36 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 33.05 3koy s PRO 124 CO -0.10 -2.26 1.08 -1.14 0.04 0.00 0.00 177.00 174.62 3koy s GLN 125 N -4.40 3.64 0.54 4.56 2.00 -1.26 -4.62 119.66 120.12 3koy s GLN 125 Ca 0.69 1.48 0.06 0.00 -2.00 0.00 0.00 55.36 55.59 3koy s GLN 125 Cb -0.25 -2.08 0.04 0.00 0.80 0.00 0.00 33.01 31.52 3koy s GLN 125 CO 0.53 -0.59 0.48 0.20 -0.50 0.00 0.00 175.29 175.41 3koy s GLY 126 N -1.87 2.22 -0.04 2.59 0.00 -0.63 -4.82 107.32 104.77 3koy s GLY 126 Ca 0.69 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.92 3koy s GLY 126 CO 0.23 -1.87 -0.01 -1.50 0.00 0.00 0.00 173.10 169.96 3koy s ILE 127 N -2.72 0.27 -1.95 0.90 1.10 -1.26 -4.72 121.20 112.81 3koy s ILE 127 Ca 0.41 0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.60 3koy s ILE 127 Cb -0.03 -0.36 0.00 0.00 0.15 0.00 0.00 42.46 42.22 3koy s ILE 127 CO 0.25 0.18 0.00 0.61 -2.11 0.00 0.00 174.94 173.87 3koy n GLY 128 N 4.28 0.76 0.00 1.50 0.00 -1.26 -1.70 105.19 108.76 3koy n GLY 128 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3koy n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 129 N -0.74 0.26 3.65 -0.02 0.00 -1.26 -4.52 105.19 102.56 3koy n GLY 129 Ca -0.22 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 3koy n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3koy s VAL 130 N -2.00 4.82 0.17 1.61 1.01 -0.45 -3.18 120.40 122.37 3koy s VAL 130 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 3koy s VAL 130 Cb 0.00 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 3koy s VAL 130 CO 0.00 0.47 1.55 -2.84 0.00 0.00 0.00 175.10 174.28 3koy s PRO 131 N 0.26 4.22 -0.43 2.72 0.02 -1.26 -1.37 135.00 139.16 3koy s PRO 131 Ca 0.04 2.34 -0.18 0.00 0.02 0.00 0.00 61.00 63.22 3koy s PRO 131 Cb -0.12 -3.16 0.03 0.00 0.02 0.00 0.00 34.50 31.27 3koy s PRO 131 CO 0.00 -0.59 0.48 0.42 -0.33 0.00 0.00 177.00 176.99 3koy s ILE 132 N 1.08 5.03 0.34 2.83 -1.09 -1.26 -4.92 121.20 123.22 3koy s ILE 132 Ca 0.69 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.83 3koy s ILE 132 Cb -0.43 -4.09 -0.06 0.00 -1.58 0.00 0.00 42.46 36.29 3koy s ILE 132 CO 0.32 -0.49 0.06 0.42 -1.23 0.00 0.00 174.94 174.02 3koy s THR 133 N 2.27 1.15 0.25 2.92 -4.23 -1.26 -4.48 115.64 112.26 3koy s THR 133 Ca 0.14 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3koy s THR 133 Cb -0.17 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 70.93 3koy s THR 133 CO 0.14 0.00 1.64 -0.09 -0.54 0.00 0.00 174.62 175.77 3koy h ARG 134 N 2.07 0.40 0.12 3.99 2.43 -1.89 -1.86 114.38 119.63 3koy h ARG 134 Ca -0.40 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 58.56 3koy h ARG 134 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3koy h ARG 134 CO 0.69 0.75 -0.06 -0.22 -1.51 0.00 0.00 179.97 179.62 3koy h LYS 135 N 0.33 -0.15 0.00 0.20 3.64 -1.86 -1.76 116.57 116.97 3koy h LYS 135 Ca 0.03 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3koy h LYS 135 Cb 0.88 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 3koy h LYS 135 CO 0.07 0.21 -0.28 0.37 -2.27 0.00 0.00 179.45 177.55 3koy h GLN 136 N -0.55 0.00 -0.08 1.90 -0.00 -1.77 -0.57 115.11 114.04 3koy h GLN 136 Ca -0.02 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.43 3koy h GLN 136 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.92 3koy h GLN 136 CO 0.03 0.28 -0.80 0.28 0.00 0.00 0.00 178.83 178.62 3koy h VAL 137 N 0.00 1.35 -0.49 2.39 2.07 -1.35 -2.73 116.25 117.49 3koy h VAL 137 Ca -0.00 -2.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.33 3koy h VAL 137 Cb 0.51 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3koy h VAL 137 CO 0.04 0.66 0.20 0.03 0.02 0.00 0.00 177.57 178.51 3koy h ARG 138 N 0.35 0.74 -0.17 1.57 3.08 -0.43 -1.85 114.38 117.67 3koy h ARG 138 Ca -0.05 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 59.90 3koy h ARG 138 Cb 1.41 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 3koy h ARG 138 CO 0.15 0.66 -0.03 0.00 -1.07 0.00 0.00 179.97 179.67 3koy h ALA 139 N 1.05 0.12 -0.29 0.04 0.00 -1.11 -0.98 119.26 118.09 3koy h ALA 139 Ca 0.17 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 3koy h ALA 139 Cb 0.19 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3koy h ALA 139 CO -0.01 -0.47 -0.43 1.96 0.00 0.00 0.00 179.25 180.30 3koy h GLN 140 N 0.01 0.73 -0.31 0.00 4.20 -1.30 -1.14 115.11 117.31 3koy h GLN 140 Ca 0.08 -0.39 -0.18 0.00 0.06 0.00 0.00 58.65 58.22 3koy h GLN 140 Cb 0.12 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 3koy h GLN 140 CO -0.17 1.01 -0.50 -0.09 -0.67 0.00 0.00 178.83 178.41 3koy h ARG 141 N 0.59 0.88 0.16 1.46 9.65 -1.26 0.14 114.38 126.00 3koy h ARG 141 Ca 0.04 -0.53 -0.01 0.00 -1.10 0.00 0.00 59.98 58.39 3koy h ARG 141 Cb 0.98 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 3koy h ARG 141 CO 0.09 1.17 -0.08 -0.22 2.80 0.00 0.00 179.97 183.73 3koy h LYS 142 N 0.68 -0.20 -0.60 0.20 3.64 -1.07 0.15 116.57 119.38 3koy h LYS 142 Ca 0.03 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3koy h LYS 142 Cb 1.10 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 3koy h LYS 142 CO 0.11 -0.14 0.33 0.00 -2.27 0.00 0.00 179.45 177.49 3koy h ALA 143 N 0.63 0.78 -0.56 5.00 0.00 -1.11 -2.93 119.26 121.07 3koy h ALA 143 Ca -0.02 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3koy h ALA 143 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3koy h ALA 143 CO 0.04 0.01 0.02 -0.07 0.00 0.00 0.00 179.25 179.24 3koy h LEU 144 N 0.62 0.95 -1.78 0.00 3.38 -0.28 -1.33 115.31 116.87 3koy h LEU 144 Ca 0.26 -0.30 0.33 0.00 0.09 0.00 0.00 57.88 58.26 3koy h LEU 144 Cb 0.14 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3koy h LEU 144 CO -0.16 1.01 0.81 0.44 0.09 0.00 0.00 178.44 180.63 3koy h ASP 145 N 0.86 0.14 0.03 -0.43 3.32 -0.52 0.58 116.42 120.40 3koy h ASP 145 Ca 0.16 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3koy h ASP 145 Cb 0.51 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3koy h ASP 145 CO 0.02 0.01 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.48 3koy h LEU 146 N 0.12 -0.03 -1.69 1.55 3.38 -1.23 -2.73 115.31 114.68 3koy h LEU 146 Ca 0.59 -0.63 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3koy h LEU 146 Cb 2.09 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.81 3koy h LEU 146 CO -0.11 0.75 0.37 0.40 0.09 0.00 0.00 178.44 179.93 3koy h ILE 147 N -0.95 0.90 0.00 1.22 2.04 -0.14 0.85 117.51 121.43 3koy h ILE 147 Ca -0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3koy h ILE 147 Cb 0.66 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3koy h ILE 147 CO 0.01 0.07 -0.19 1.05 0.00 0.00 0.00 178.15 179.09 3koy h GLU 148 N 0.36 0.00 -0.10 2.37 4.11 -0.01 -0.61 114.58 120.70 3koy h GLU 148 Ca 0.25 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.59 3koy h GLU 148 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3koy h GLU 148 CO -0.06 0.00 -0.28 0.93 0.07 0.00 0.00 179.01 179.67 3koy h GLU 149 N 0.00 0.37 0.90 1.06 5.08 -0.63 -2.20 114.58 119.16 3koy h GLU 149 Ca 0.00 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 3koy h GLU 149 Cb 0.97 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.27 3koy h GLU 149 CO 0.00 0.88 -0.43 1.49 -1.00 0.00 0.00 179.01 179.95 3koy h GLU 150 N -0.07 -1.16 0.00 2.33 4.81 -0.92 -3.13 114.58 116.44 3koy h GLU 150 Ca -0.01 0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 3koy h GLU 150 Cb 0.89 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3koy h GLU 150 CO 0.06 -0.77 -0.30 -0.39 -0.73 0.00 0.00 179.01 176.88 3koy h VAL 151 N -1.21 0.80 0.00 0.32 -1.51 -1.24 -3.37 116.25 110.04 3koy h VAL 151 Ca -0.12 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 3koy h VAL 151 Cb 0.92 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 3koy h VAL 151 CO 0.20 0.29 0.00 0.61 -1.23 0.00 0.00 177.57 177.44 3koy n GLY 152 N -0.03 0.83 3.22 5.19 0.00 -0.84 -1.40 105.19 112.16 3koy n GLY 152 Ca -0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 3koy n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3koy s ARG 153 N -1.47 0.34 0.27 1.61 3.52 -1.16 -4.69 118.95 117.38 3koy s ARG 153 Ca 0.00 0.73 -0.31 0.00 -0.13 0.00 0.00 55.73 56.03 3koy s ARG 153 Cb 0.00 -0.04 -0.12 0.00 -1.56 0.00 0.00 34.95 33.23 3koy s ARG 153 CO 0.00 -0.16 1.57 -2.30 -0.81 0.00 0.00 175.30 173.60 3koy n PRO 154 N 4.30 2.56 -3.78 5.12 -0.02 -1.26 -4.63 135.00 137.29 3koy n PRO 154 Ca -0.23 0.91 -0.36 0.00 -2.02 0.00 0.00 63.50 61.80 3koy n PRO 154 Cb 0.54 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 3koy n PRO 154 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3koy s ILE 155 N 0.14 4.97 0.01 4.25 1.01 -1.26 -4.91 121.20 125.41 3koy s ILE 155 Ca 0.66 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 3koy s ILE 155 Cb -0.53 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3koy s ILE 155 CO 0.47 0.37 1.05 0.20 0.00 0.00 0.00 174.94 177.03 3koy s ASN 156 N 1.03 7.27 -0.09 3.58 0.01 0.19 -4.94 114.94 121.99 3koy s ASN 156 Ca 0.06 1.76 -0.04 0.00 -0.71 0.00 0.00 52.86 53.92 3koy s ASN 156 Cb -0.14 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 3koy s ASN 156 CO 0.04 -0.34 0.09 -0.47 -1.51 0.00 0.00 177.10 174.91 3koy s TYR 157 N 1.12 3.42 -0.11 2.20 5.04 -1.26 -1.60 117.35 126.16 3koy s TYR 157 Ca 0.54 0.37 -0.06 0.00 -2.44 0.00 0.00 57.07 55.49 3koy s TYR 157 Cb -0.23 -1.86 0.05 0.00 0.35 0.00 0.00 41.96 40.26 3koy s TYR 157 CO 0.28 0.63 0.26 -1.58 -1.34 0.00 0.00 175.55 173.79 3koy s HIS 158 N -1.03 -0.35 0.00 4.97 5.65 -0.46 -1.18 115.29 122.89 3koy s HIS 158 Ca 0.16 0.83 0.00 0.00 0.25 0.00 0.00 55.06 56.30 3koy s HIS 158 Cb -0.12 0.07 0.00 0.00 -1.18 0.00 0.00 32.58 31.35 3koy s HIS 158 CO 0.06 -0.24 0.00 0.45 -0.65 0.00 0.00 174.74 174.36 3koy n SER 159 N 4.21 0.00 -4.62 9.88 2.88 -1.15 0.12 113.62 124.94 3koy n SER 159 Ca -0.25 -0.69 -0.33 0.00 -1.33 0.00 0.00 58.87 56.27 3koy n SER 159 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 3koy n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3koy s TYR 160 N -2.82 2.98 -1.30 0.66 2.02 -1.26 -2.83 117.35 114.80 3koy s TYR 160 Ca 0.00 0.04 0.11 0.00 -0.37 0.00 0.00 57.07 56.85 3koy s TYR 160 Cb 0.00 -1.68 0.12 0.00 -0.40 0.00 0.00 41.96 40.00 3koy s TYR 160 CO 0.00 0.39 0.91 0.28 -1.57 0.00 0.00 175.55 175.56 3koy n VAL 161 N 1.78 0.15 -0.87 0.71 0.31 -0.73 -4.92 118.33 114.75 3koy n VAL 161 Ca -0.16 -0.57 -0.29 0.00 -0.01 0.00 0.00 64.34 63.30 3koy n VAL 161 Cb 0.53 1.12 0.20 0.00 -0.91 0.00 0.00 33.84 34.78 3koy n VAL 161 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3koy s SER 162 N -0.92 2.13 0.00 4.52 0.01 -1.25 -4.07 113.70 114.11 3koy s SER 162 Ca 0.14 1.48 0.00 0.00 1.31 0.00 0.00 55.95 58.88 3koy s SER 162 Cb 0.10 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.15 3koy s SER 162 CO 0.14 -3.48 0.00 0.61 0.41 0.00 0.00 173.24 170.92 3koy n GLY 163 N -0.20 -1.50 0.10 3.44 0.00 -1.26 -4.59 105.19 101.18 3koy n GLY 163 Ca 0.05 -2.18 0.07 0.00 0.00 0.00 0.00 46.02 43.96 3koy n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3koy n VAL 164 N -0.18 0.05 -2.65 1.61 0.24 -0.37 -3.86 118.33 113.18 3koy n VAL 164 Ca 0.00 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.34 62.14 3koy n VAL 164 Cb 0.00 -0.12 0.03 0.00 -1.47 0.00 0.00 33.84 32.28 3koy n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3koy n ALA 165 N -0.53 3.52 0.11 2.33 0.00 -1.26 -4.86 120.51 119.82 3koy n ALA 165 Ca 0.11 -3.23 -0.13 0.00 0.00 0.00 0.00 53.44 50.18 3koy n ALA 165 Cb 0.09 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 3koy n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3koy h GLY 166 N 2.81 -0.26 -0.20 0.00 0.00 -1.71 -2.57 103.07 101.15 3koy h GLY 166 Ca -0.03 0.10 0.23 0.00 0.00 0.00 0.00 47.33 47.63 3koy h GLY 166 CO 0.49 -0.10 0.46 -2.55 0.00 0.00 0.00 176.54 174.84 3koy h PRO 167 N -0.46 0.44 0.42 4.80 0.11 -1.87 0.33 132.00 135.78 3koy h PRO 167 Ca -0.03 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3koy h PRO 167 Cb 0.35 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 3koy h PRO 167 CO 0.04 0.29 -0.26 -0.44 -0.21 0.00 0.00 178.00 177.43 3koy h ASP 168 N 0.45 -0.64 -0.62 -2.05 3.32 -1.88 -1.48 116.42 113.52 3koy h ASP 168 Ca 0.59 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.77 3koy h ASP 168 Cb 1.13 0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.80 3koy h ASP 168 CO -0.52 -0.39 0.23 0.40 -1.72 0.00 0.00 179.24 177.24 3koy h ILE 169 N -0.63 0.76 -0.96 0.35 2.04 -1.20 -1.01 117.51 116.85 3koy h ILE 169 Ca -0.06 -0.14 0.16 0.00 1.00 0.00 0.00 64.86 65.82 3koy h ILE 169 Cb 0.50 0.32 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 3koy h ILE 169 CO 0.06 0.07 0.61 0.00 0.00 0.00 0.00 178.15 178.89 3koy h ALA 170 N 1.43 1.74 -0.33 1.87 0.00 -0.27 0.21 119.26 123.91 3koy h ALA 170 Ca 0.31 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3koy h ALA 170 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3koy h ALA 170 CO -0.32 -0.03 0.07 0.28 0.00 0.00 0.00 179.25 179.25 3koy h VAL 171 N 0.77 1.23 -0.17 0.00 2.07 -0.09 -1.62 116.25 118.43 3koy h VAL 171 Ca 0.51 -0.77 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 3koy h VAL 171 Cb 0.77 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3koy h VAL 171 CO -0.28 0.26 -0.49 -0.03 0.02 0.00 0.00 177.57 177.05 3koy h MET 172 N 0.38 0.64 -0.19 1.57 -1.53 -0.77 -1.71 114.93 113.31 3koy h MET 172 Ca 0.10 -0.46 0.04 0.00 -3.44 0.00 0.00 59.70 55.95 3koy h MET 172 Cb 0.32 0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 31.40 3koy h MET 172 CO 0.00 1.08 -0.08 0.74 0.14 0.00 0.00 176.91 178.79 3koy h PHE 173 N 0.31 -0.18 -0.92 1.39 -1.00 -0.70 -0.08 116.94 115.77 3koy h PHE 173 Ca -0.01 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.81 3koy h PHE 173 Cb 1.11 0.11 -0.05 0.00 3.61 0.00 0.00 35.95 40.73 3koy h PHE 173 CO 0.09 -0.13 0.60 0.00 -1.61 0.00 0.00 178.31 177.27 3koy h ALA 174 N 1.13 1.38 -0.05 2.45 0.00 -1.16 -2.14 119.26 120.88 3koy h ALA 174 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3koy h ALA 174 Cb 0.20 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3koy h ALA 174 CO -0.23 0.55 0.01 0.93 0.00 0.00 0.00 179.25 180.51 3koy h GLU 175 N 1.20 0.08 -0.44 0.00 5.08 -0.89 -3.27 114.58 116.33 3koy h GLU 175 Ca 0.35 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3koy h GLU 175 Cb -0.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3koy h GLU 175 CO -0.09 0.28 0.00 0.39 -1.00 0.00 0.00 179.01 178.59 3koy n GLU 176 N -4.93 1.90 -2.27 2.33 -0.58 -0.08 -4.81 120.64 112.20 3koy n GLU 176 Ca -0.07 -1.10 -0.13 0.00 -0.42 0.00 0.00 57.16 55.44 3koy n GLU 176 Cb 0.14 -1.38 -0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3koy n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3koy n GLY 177 N 0.78 -0.14 3.77 0.62 0.00 -0.98 -4.66 105.19 104.57 3koy n GLY 177 Ca 0.10 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3koy n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3koy s VAL 178 N -2.65 2.56 -0.17 1.61 1.01 -0.84 -4.72 120.40 117.20 3koy s VAL 178 Ca 0.01 0.50 0.15 0.00 0.00 0.00 0.00 61.98 62.64 3koy s VAL 178 Cb -0.01 -3.29 -0.24 0.00 0.00 0.00 0.00 36.38 32.84 3koy s VAL 178 CO 0.02 0.07 0.16 0.59 0.00 0.00 0.00 175.10 175.94 3koy n ASN 179 N 0.04 0.37 -3.83 3.32 4.13 -0.33 -4.58 115.26 114.39 3koy n ASN 179 Ca 0.04 0.07 -0.09 0.00 1.68 0.00 0.00 54.58 56.28 3koy n ASN 179 Cb 0.44 0.65 -0.07 0.00 -1.54 0.00 0.00 39.78 39.25 3koy n ASN 179 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3koy s GLY 180 N -5.51 0.05 -0.07 7.41 0.00 -0.86 -1.27 107.32 107.08 3koy s GLY 180 Ca -0.11 -0.53 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 3koy s GLY 180 CO 0.81 -0.73 0.88 0.00 0.00 0.00 0.00 173.10 174.07 3koy s ALA 181 N -3.74 -1.85 0.20 3.20 0.00 -0.38 -2.95 121.76 116.25 3koy s ALA 181 Ca 0.04 1.27 -0.28 0.00 0.00 0.00 0.00 51.96 52.99 3koy s ALA 181 Cb 0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 3koy s ALA 181 CO -0.10 -0.49 0.88 -1.01 0.00 0.00 0.00 175.76 175.04 3koy s HIS 182 N -2.03 3.94 -0.27 0.00 3.76 -1.13 -1.81 115.29 117.76 3koy s HIS 182 Ca -0.01 1.80 -0.03 0.00 -0.15 0.00 0.00 55.06 56.67 3koy s HIS 182 Cb -0.01 -2.90 0.15 0.00 1.11 0.00 0.00 32.58 30.93 3koy s HIS 182 CO -0.02 0.46 0.49 -1.14 -0.85 0.00 0.00 174.74 173.68 3koy s GLN 183 N -1.05 0.45 -0.22 1.40 -0.44 -1.04 -1.78 119.66 116.98 3koy s GLN 183 Ca 0.39 0.83 -0.04 0.00 -2.50 0.00 0.00 55.36 54.05 3koy s GLN 183 Cb -0.25 0.11 0.09 0.00 -1.64 0.00 0.00 33.01 31.32 3koy s GLN 183 CO 0.30 -0.58 0.17 0.34 0.50 0.00 0.00 175.29 176.02 3koy s ASP 184 N 2.71 2.12 0.30 6.67 -1.08 -1.26 -4.77 116.67 121.35 3koy s ASP 184 Ca 0.14 -0.60 0.01 0.00 -0.52 0.00 0.00 52.55 51.57 3koy s ASP 184 Cb -0.15 0.06 0.72 0.00 -1.46 0.00 0.00 42.92 42.09 3koy s ASP 184 CO -0.18 -0.36 1.58 -0.65 0.52 0.00 0.00 175.17 176.08 3koy h PRO 185 N 8.36 0.03 -0.19 4.34 0.11 -1.98 0.53 132.00 143.20 3koy h PRO 185 Ca -0.16 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.95 3koy h PRO 185 Cb 1.12 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3koy h PRO 185 CO 0.32 0.02 0.13 1.96 -0.21 0.00 0.00 178.00 180.22 3koy h GLN 186 N 0.03 0.23 -0.79 1.05 4.20 -1.95 -1.85 115.11 116.03 3koy h GLN 186 Ca 0.58 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.26 3koy h GLN 186 Cb 1.17 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 3koy h GLN 186 CO -0.88 0.15 0.44 -0.92 -0.67 0.00 0.00 178.83 176.95 3koy h TYR 187 N 0.24 1.08 -0.36 2.96 3.20 -0.32 -0.96 116.97 122.82 3koy h TYR 187 Ca 0.07 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.76 3koy h TYR 187 Cb 0.00 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 3koy h TYR 187 CO -0.00 0.75 -0.42 -0.91 -1.64 0.00 0.00 178.16 175.94 3koy h ASN 188 N 1.09 0.97 0.27 -2.11 2.35 -1.29 -2.68 115.58 114.20 3koy h ASN 188 Ca 0.28 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3koy h ASN 188 Cb 0.02 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.12 3koy h ASN 188 CO -0.05 1.26 -0.13 0.58 -1.65 0.00 0.00 177.43 177.44 3koy h VAL 189 N 0.73 0.68 -0.23 2.81 2.07 -1.38 -0.52 116.25 120.41 3koy h VAL 189 Ca 0.05 -0.79 -0.19 0.00 0.82 0.00 0.00 66.70 66.60 3koy h VAL 189 Cb 1.01 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3koy h VAL 189 CO 0.10 0.14 -0.60 -0.07 0.02 0.00 0.00 177.57 177.16 3koy h LEU 190 N -0.84 0.87 0.00 2.57 3.38 -1.24 -3.12 115.31 116.92 3koy h LEU 190 Ca -0.04 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 3koy h LEU 190 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3koy h LEU 190 CO 0.06 1.27 -1.63 -1.22 0.09 0.00 0.00 178.44 177.01 3koy n TYR 191 N -3.97 0.00 -0.39 1.13 4.01 -1.01 -4.49 117.16 112.43 3koy n TYR 191 Ca -0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.75 3koy n TYR 191 Cb 0.65 -0.34 0.14 0.00 -0.31 0.00 0.00 39.34 39.48 3koy n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3koy n ARG 192 N -2.02 2.75 -3.90 -0.72 5.12 -1.11 -4.99 116.66 111.79 3koy n ARG 192 Ca -0.05 -2.13 -0.26 0.00 -1.93 0.00 0.00 57.85 53.49 3koy n ARG 192 Cb 0.41 -1.34 -0.06 0.00 -1.16 0.00 0.00 32.46 30.31 3koy n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3koy n ASN 193 N -0.15 -0.02 -4.80 0.55 5.15 -1.08 -4.83 115.26 110.07 3koy n ASN 193 Ca 0.11 -0.97 -0.37 0.00 -0.60 0.00 0.00 54.58 52.75 3koy n ASN 193 Cb 0.50 -1.20 -0.06 0.00 -0.53 0.00 0.00 39.78 38.49 3koy n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3koy s ILE 194 N -4.02 4.54 0.13 -1.44 1.01 -0.23 -1.33 121.20 119.87 3koy s ILE 194 Ca 0.07 1.39 -0.34 0.00 0.00 0.00 0.00 60.65 61.77 3koy s ILE 194 Cb -0.04 -3.94 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 3koy s ILE 194 CO 0.75 0.34 1.63 -3.20 0.00 0.00 0.00 174.94 174.46 3koy n ASN 195 N 1.08 3.19 -0.16 3.58 2.85 0.12 -4.12 115.26 121.80 3koy n ASN 195 Ca -0.04 1.07 -0.04 0.00 -0.11 0.00 0.00 54.58 55.45 3koy n ASN 195 Cb 0.50 -1.43 0.14 0.00 1.24 0.00 0.00 39.78 40.24 3koy n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3koy h MET 196 N 6.43 0.91 -0.23 1.20 -0.00 -1.80 -0.74 114.93 120.71 3koy h MET 196 Ca -0.45 -0.21 -0.00 0.00 -0.00 0.00 0.00 59.70 59.04 3koy h MET 196 Cb 1.25 -0.13 -0.01 0.00 -0.00 0.00 0.00 31.60 32.71 3koy h MET 196 CO 0.90 0.83 0.14 0.82 -0.00 0.00 0.00 176.91 179.60 3koy h ILE 197 N 0.87 1.09 0.00 -0.10 2.04 -1.91 -2.92 117.51 116.58 3koy h ILE 197 Ca 0.19 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.70 3koy h ILE 197 Cb 0.34 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3koy h ILE 197 CO 0.00 0.08 -0.67 -0.09 0.00 0.00 0.00 178.15 177.48 3koy h ARG 198 N 0.28 0.00 -0.46 2.37 2.43 -1.84 -2.01 114.38 115.15 3koy h ARG 198 Ca 0.08 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3koy h ARG 198 Cb 0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3koy h ARG 198 CO -0.02 0.64 0.28 1.03 -1.51 0.00 0.00 179.97 180.39 3koy h SER 199 N 0.00 0.56 0.53 -3.80 0.87 -1.09 -2.10 113.55 108.52 3koy h SER 199 Ca -0.01 -0.06 -0.28 0.00 -1.23 0.00 0.00 61.79 60.21 3koy h SER 199 Cb 1.50 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 63.33 3koy h SER 199 CO 0.08 0.45 -1.25 -0.26 -0.53 0.00 0.00 176.83 175.33 3koy h PHE 200 N 0.62 0.59 -0.57 2.24 -1.00 -1.42 -2.07 116.94 115.33 3koy h PHE 200 Ca 0.17 -0.42 -0.03 0.00 2.81 0.00 0.00 57.97 60.49 3koy h PHE 200 Cb -0.01 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.50 3koy h PHE 200 CO -0.03 1.31 0.21 0.82 -1.61 0.00 0.00 178.31 179.02 3koy h ILE 201 N 0.11 1.21 -0.37 -0.55 2.04 -1.39 -3.03 117.51 115.52 3koy h ILE 201 Ca -0.15 -0.67 -0.16 0.00 1.00 0.00 0.00 64.86 64.88 3koy h ILE 201 Cb 1.96 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 3koy h ILE 201 CO 0.21 0.26 -0.41 0.44 0.00 0.00 0.00 178.15 178.66 3koy h ASP 202 N 0.81 0.99 0.24 1.72 3.32 -1.29 -3.20 116.42 119.01 3koy h ASP 202 Ca 0.19 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 3koy h ASP 202 Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3koy h ASP 202 CO -0.02 1.26 -0.18 0.00 -1.72 0.00 0.00 179.24 178.58 3koy h ALA 203 N 0.78 1.56 -0.39 3.45 0.00 -1.26 -1.02 119.26 122.38 3koy h ALA 203 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3koy h ALA 203 Cb 1.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3koy h ALA 203 CO 0.10 0.23 0.24 0.00 0.00 0.00 0.00 179.25 179.81 3koy h GLU 205 N 0.48 0.37 -0.35 0.00 4.57 -1.50 -2.17 114.58 115.98 3koy h GLU 205 Ca 0.15 -0.22 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 3koy h GLU 205 Cb -0.01 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.52 3koy h GLU 205 CO -0.06 0.79 -0.27 0.77 -1.18 0.00 0.00 179.01 179.06 3koy h SER 206 N -0.02 -0.88 0.55 1.04 0.02 -1.01 -0.37 113.55 112.88 3koy h SER 206 Ca 0.02 0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 3koy h SER 206 Cb 0.75 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3koy h SER 206 CO 0.04 -0.29 -0.36 0.11 -1.14 0.00 0.00 176.83 175.20 3koy h LYS 207 N -0.22 0.00 -0.12 3.45 1.57 -0.69 -1.41 116.57 119.15 3koy h LYS 207 Ca 0.17 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.72 3koy h LYS 207 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.81 3koy h LYS 207 CO -0.48 0.36 -0.83 1.15 -0.57 0.00 0.00 179.45 179.08 3koy h THR 208 N 0.00 1.28 -0.72 -0.16 2.02 -0.76 -0.90 112.91 113.68 3koy h THR 208 Ca -0.00 -2.04 -0.03 0.00 0.77 0.00 0.00 66.41 65.11 3koy h THR 208 Cb 0.73 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 69.17 3koy h THR 208 CO 0.05 0.64 0.34 0.40 0.37 0.00 0.00 175.52 177.32 3koy h ILE 209 N 0.50 1.24 0.00 3.11 2.04 -0.80 -1.98 117.51 121.61 3koy h ILE 209 Ca -0.07 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3koy h ILE 209 Cb 1.46 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3koy h ILE 209 CO 0.17 0.28 -0.10 0.24 0.00 0.00 0.00 178.15 178.74 3koy h MET 210 N 1.00 0.00 -0.13 2.37 2.86 -1.24 -2.31 114.93 117.49 3koy h MET 210 Ca 0.25 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.76 3koy h MET 210 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3koy h MET 210 CO -0.03 0.10 -0.43 0.00 1.06 0.00 0.00 176.91 177.61 3koy h ALA 211 N 1.90 0.22 0.03 6.32 0.00 -0.67 -2.51 119.26 124.55 3koy h ALA 211 Ca -0.00 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3koy h ALA 211 Cb 0.63 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3koy h ALA 211 CO 0.01 0.35 -0.40 2.35 0.00 0.00 0.00 179.25 181.56 3koy h TRP 212 N 0.12 -1.14 0.00 0.00 7.01 -1.16 -2.81 115.95 117.98 3koy h TRP 212 Ca -0.02 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3koy h TRP 212 Cb 1.05 0.50 0.00 0.00 -2.10 0.00 0.00 29.16 28.61 3koy h TRP 212 CO 0.11 -0.49 0.00 0.00 -2.79 0.00 0.00 178.44 175.27 3koy n ALA 213 N -2.85 1.98 -3.93 2.65 0.00 -0.89 -4.84 120.51 112.63 3koy n ALA 213 Ca -0.06 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 3koy n ALA 213 Cb 0.37 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.65 3koy n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3koy n ASP 214 N -0.92 -3.71 -4.81 0.00 2.03 -1.06 -2.74 116.55 105.34 3koy n ASP 214 Ca 0.08 -0.83 -0.36 0.00 0.52 0.00 0.00 54.79 54.20 3koy n ASP 214 Cb 0.04 -3.70 -0.06 0.00 -0.72 0.00 0.00 41.12 36.67 3koy n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3koy s MET 215 N -6.56 4.30 0.37 -0.67 -1.94 -0.95 -1.51 119.30 112.34 3koy s MET 215 Ca 0.52 0.94 -0.26 0.00 -1.71 0.00 0.00 55.69 55.19 3koy s MET 215 Cb -0.27 -2.83 -0.09 0.00 2.01 0.00 0.00 34.83 33.65 3koy s MET 215 CO 0.84 0.36 1.09 0.00 -0.01 0.00 0.00 175.02 177.31 3koy s ALA 216 N -1.57 3.18 -0.15 3.03 0.00 -0.40 -4.88 121.76 120.96 3koy s ALA 216 Ca 0.45 0.82 0.01 0.00 0.00 0.00 0.00 51.96 53.24 3koy s ALA 216 Cb -0.17 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.66 3koy s ALA 216 CO 0.21 -0.29 -0.19 -1.14 0.00 0.00 0.00 175.76 174.36 3koy s GLN 217 N -2.19 2.78 -0.10 0.00 0.74 0.23 -1.24 119.66 119.87 3koy s GLN 217 Ca 0.54 -0.75 -0.06 0.00 0.05 0.00 0.00 55.36 55.14 3koy s GLN 217 Cb -0.27 -2.37 -0.04 0.00 1.10 0.00 0.00 33.01 31.44 3koy s GLN 217 CO 0.34 -0.14 0.13 0.42 -0.55 0.00 0.00 175.29 175.48 3koy s ILE 218 N 1.16 5.35 0.37 -2.34 1.01 -0.75 0.27 121.20 126.28 3koy s ILE 218 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.76 3koy s ILE 218 Cb -0.14 -3.34 0.07 0.00 0.01 0.00 0.00 42.46 39.07 3koy s ILE 218 CO -0.08 0.59 0.51 -0.90 0.00 0.00 0.00 174.94 175.06 3koy n ASP 219 N 1.89 0.66 -0.00 3.58 5.68 -0.93 -2.49 116.55 124.94 3koy n ASP 219 Ca -0.19 -1.56 0.09 0.00 -0.50 0.00 0.00 54.79 52.62 3koy n ASP 219 Cb 0.55 -0.33 -0.11 0.00 -1.14 0.00 0.00 41.12 40.08 3koy n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3koy n GLY 223 N 1.10 -0.77 0.65 6.12 0.00 -1.26 -4.43 105.19 106.60 3koy n GLY 223 Ca 0.08 -0.53 0.49 0.00 0.00 0.00 0.00 46.02 46.07 3koy n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy h ALA 224 N 2.62 3.61 0.00 4.61 0.00 -1.92 0.27 119.26 128.45 3koy h ALA 224 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3koy h ALA 224 Cb 0.45 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3koy h ALA 224 CO 0.00 -2.18 0.00 -2.39 0.00 0.00 0.00 179.25 174.68 3koy n HIS 225 N -4.12 0.00 0.18 0.00 1.44 -1.25 -0.12 115.22 111.35 3koy n HIS 225 Ca 0.42 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.19 3koy n HIS 225 Cb 1.87 -0.49 0.21 0.00 0.12 0.00 0.00 29.99 31.69 3koy n HIS 225 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3koy h ASN 226 N 0.00 0.00 0.93 4.39 2.35 -0.82 -3.21 115.58 119.22 3koy h ASN 226 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3koy h ASN 226 Cb 0.15 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3koy h ASN 226 CO 0.00 0.36 -0.14 0.00 -1.65 0.00 0.00 177.43 176.00 3koy h ALA 227 N 1.64 1.03 0.11 -0.83 0.00 -0.71 -2.38 119.26 118.11 3koy h ALA 227 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3koy h ALA 227 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3koy h ALA 227 CO 0.05 0.18 -0.05 -0.91 0.00 0.00 0.00 179.25 178.51 3koy h ASN 228 N 0.00 -0.12 -0.47 0.00 4.21 -1.65 -2.87 115.58 114.67 3koy h ASN 228 Ca -0.00 -0.32 0.09 0.00 1.21 0.00 0.00 56.30 57.28 3koy h ASN 228 Cb 0.65 0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 37.80 3koy h ASN 228 CO 0.02 0.27 0.04 0.00 -1.29 0.00 0.00 177.43 176.47 3koy h ALA 229 N 0.29 0.48 -0.00 -0.83 0.00 -1.57 -2.82 119.26 114.82 3koy h ALA 229 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3koy h ALA 229 Cb 0.43 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3koy h ALA 229 CO 0.02 -0.36 -0.04 0.25 0.00 0.00 0.00 179.25 179.13 3koy n THR 230 N -5.18 0.00 -2.99 0.00 -2.24 -0.92 -4.88 114.28 98.07 3koy n THR 230 Ca 0.05 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3koy n THR 230 Cb 0.25 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 3koy n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3koy s ALA 231 N -2.29 3.36 0.08 6.98 0.00 -1.06 -4.99 121.76 123.84 3koy s ALA 231 Ca 0.36 0.26 -0.32 0.00 0.00 0.00 0.00 51.96 52.27 3koy s ALA 231 Cb 0.21 -2.99 -0.15 0.00 0.00 0.00 0.00 23.12 20.19 3koy s ALA 231 CO 0.42 0.04 1.49 0.00 0.00 0.00 0.00 175.76 177.72 3koy h ARG 232 N 5.82 -0.80 -5.08 0.00 2.47 -1.89 -3.38 114.38 111.53 3koy h ARG 232 Ca -0.44 0.05 -0.65 0.00 -1.26 0.00 0.00 59.98 57.68 3koy h ARG 232 Cb 1.20 0.18 -0.27 0.00 -1.65 0.00 0.00 29.97 29.44 3koy h ARG 232 CO 0.71 -0.53 -0.72 -1.21 0.56 0.00 0.00 179.97 178.79 3koy s GLU 233 N -5.50 3.43 0.48 0.04 8.01 -1.26 -5.00 118.70 118.89 3koy s GLU 233 Ca -0.15 -0.61 0.26 0.00 0.01 0.00 0.00 54.97 54.47 3koy s GLU 233 Cb 0.04 -2.96 1.17 0.00 -4.31 0.00 0.00 34.13 28.08 3koy s GLU 233 CO 0.53 -0.08 1.94 0.00 0.01 0.00 0.00 175.26 177.66 3koy h ALA 234 N 7.74 1.14 -0.00 5.21 0.00 -1.83 -2.97 119.26 128.54 3koy h ALA 234 Ca -0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3koy h ALA 234 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3koy h ALA 234 CO 0.60 0.23 0.00 -2.67 0.00 0.00 0.00 179.25 177.41 3koy n TRP 235 N -3.51 0.00 -0.22 0.00 2.14 -1.26 -2.76 117.44 111.83 3koy n TRP 235 Ca -0.01 -0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.56 3koy n TRP 235 Cb 0.34 -0.04 0.00 0.00 -0.81 0.00 0.00 31.31 30.80 3koy n TRP 235 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 3koy n LYS 236 N -0.30 0.05 -0.01 -2.67 5.02 -1.12 -4.80 118.16 114.33 3koy n LYS 236 Ca 0.00 -0.32 0.13 0.00 -2.02 0.00 0.00 58.31 56.09 3koy n LYS 236 Cb 0.10 -0.81 0.23 0.00 -0.02 0.00 0.00 35.03 34.54 3koy n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3koy n VAL 237 N -0.10 0.01 -0.18 -0.18 3.14 -1.11 -4.17 118.33 115.74 3koy n VAL 237 Ca 0.00 -0.43 -0.09 0.00 -2.96 0.00 0.00 64.34 60.86 3koy n VAL 237 Cb 0.05 1.18 0.01 0.00 -1.06 0.00 0.00 33.84 34.03 3koy n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3koy h MET 238 N 3.98 0.83 -0.75 1.45 2.86 -1.87 -0.33 114.93 121.09 3koy h MET 238 Ca 0.00 -0.19 0.12 0.00 -2.06 0.00 0.00 59.70 57.57 3koy h MET 238 Cb 0.85 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 3koy h MET 238 CO 0.00 0.78 0.49 -1.35 1.06 0.00 0.00 176.91 177.89 3koy h PRO 239 N 0.72 0.55 -0.17 -0.22 0.11 -1.90 -1.64 132.00 129.45 3koy h PRO 239 Ca 0.17 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 3koy h PRO 239 Cb 0.31 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 3koy h PRO 239 CO -0.00 0.36 -0.16 1.49 -0.21 0.00 0.00 178.00 179.48 3koy h GLU 240 N 0.56 0.41 -0.73 1.05 4.81 -1.41 -2.81 114.58 116.45 3koy h GLU 240 Ca 0.35 -0.21 0.16 0.00 -0.13 0.00 0.00 59.36 59.54 3koy h GLU 240 Cb 0.61 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.87 3koy h GLU 240 CO -0.13 0.77 0.11 -0.07 -0.73 0.00 0.00 179.01 178.96 3koy h LEU 241 N 0.06 -0.13 -0.18 1.64 3.38 -0.58 0.04 115.31 119.54 3koy h LEU 241 Ca 0.03 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3koy h LEU 241 Cb 0.69 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3koy h LEU 241 CO 0.04 -0.10 0.10 0.24 0.09 0.00 0.00 178.44 178.81 3koy h MET 242 N 0.19 0.26 -0.38 1.13 2.86 -1.27 0.21 114.93 117.93 3koy h MET 242 Ca 0.41 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 58.06 3koy h MET 242 Cb 0.72 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 3koy h MET 242 CO -0.57 0.26 0.16 0.28 1.06 0.00 0.00 176.91 178.10 3koy h VAL 243 N 0.19 0.93 -0.40 -2.22 2.07 -1.00 -0.31 116.25 115.51 3koy h VAL 243 Ca 0.06 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 3koy h VAL 243 Cb 0.08 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3koy h VAL 243 CO -0.01 0.06 -0.09 1.56 0.02 0.00 0.00 177.57 179.11 3koy h GLN 244 N 0.33 0.76 -0.94 1.57 4.20 -0.65 0.18 115.11 120.57 3koy h GLN 244 Ca 0.17 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.61 3koy h GLN 244 Cb 0.12 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 3koy h GLN 244 CO -0.15 0.90 0.62 0.45 -0.67 0.00 0.00 178.83 179.97 3koy h HIS 245 N 0.58 1.16 -0.04 2.96 3.86 -0.30 -2.40 115.15 120.97 3koy h HIS 245 Ca 0.10 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3koy h HIS 245 Cb 0.61 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3koy h HIS 245 CO 0.05 0.71 -0.07 0.00 0.86 0.00 0.00 177.93 179.47 3koy h ALA 246 N 1.43 0.06 -0.56 2.45 0.00 -0.66 -2.48 119.26 119.51 3koy h ALA 246 Ca 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3koy h ALA 246 Cb -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3koy h ALA 246 CO -0.09 -0.10 0.27 -0.07 0.00 0.00 0.00 179.25 179.26 3koy h LEU 247 N -0.39 0.72 -0.71 0.00 3.38 -0.58 -1.62 115.31 116.11 3koy h LEU 247 Ca 0.00 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3koy h LEU 247 Cb 0.64 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3koy h LEU 247 CO 0.02 0.64 0.14 -1.13 0.09 0.00 0.00 178.44 178.20 3koy h ASN 248 N 0.75 1.08 0.65 -0.43 -1.24 -1.53 -2.55 115.58 112.30 3koy h ASN 248 Ca 0.19 -0.24 -0.03 0.00 0.71 0.00 0.00 56.30 56.93 3koy h ASN 248 Cb 0.11 -0.29 0.01 0.00 0.73 0.00 0.00 38.32 38.88 3koy h ASN 248 CO -0.03 1.05 -0.31 0.28 -1.29 0.00 0.00 177.43 177.13 3koy h SER 249 N 1.07 -0.73 0.13 1.15 0.02 -1.20 0.25 113.55 114.22 3koy h SER 249 Ca 0.22 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3koy h SER 249 Cb 0.41 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 3koy h SER 249 CO 0.01 -0.38 -0.07 -0.29 -1.14 0.00 0.00 176.83 174.96 3koy h ILE 250 N -1.12 0.78 0.20 3.27 6.09 -1.41 0.18 117.51 125.50 3koy h ILE 250 Ca -0.09 -0.27 -0.01 0.00 -1.37 0.00 0.00 64.86 63.12 3koy h ILE 250 Cb 0.70 1.16 0.00 0.00 0.47 0.00 0.00 36.82 39.16 3koy h ILE 250 CO 0.15 0.07 -0.10 0.15 -3.07 0.00 0.00 178.15 175.35 3koy h PHE 251 N 0.00 -0.25 -0.89 2.19 3.57 -1.38 -3.05 116.94 117.13 3koy h PHE 251 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3koy h PHE 251 Cb 0.15 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 3koy h PHE 251 CO 0.00 0.12 0.59 0.77 -2.23 0.00 0.00 178.31 177.56 3koy h SER 252 N -0.70 1.01 0.36 0.41 0.02 -0.14 -2.78 113.55 111.74 3koy h SER 252 Ca -0.03 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3koy h SER 252 Cb 0.49 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3koy h SER 252 CO 0.05 0.72 -0.25 0.25 -1.14 0.00 0.00 176.83 176.46 3koy h LEU 253 N 1.19 -0.63 -0.35 5.07 5.85 -0.74 -1.88 115.31 123.82 3koy h LEU 253 Ca 0.33 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.10 3koy h LEU 253 Cb -0.11 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3koy h LEU 253 CO -0.08 -0.39 0.00 0.29 -0.34 0.00 0.00 178.44 177.93 3koy n LYS 254 N -5.38 0.07 0.10 1.25 4.76 -1.14 -0.88 118.16 116.94 3koy n LYS 254 Ca -0.10 0.39 0.12 0.00 -2.87 0.00 0.00 58.31 55.85 3koy n LYS 254 Cb 0.28 -1.65 0.25 0.00 -1.84 0.00 0.00 35.03 32.07 3koy n LYS 254 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3koy h VAL 255 N 0.00 0.00 0.00 -0.18 2.07 -1.20 -3.47 116.25 113.47 3koy h VAL 255 Ca 0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3koy h VAL 255 Cb 0.21 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3koy h VAL 255 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 3koy n GLY 256 N 1.29 1.14 3.76 2.17 0.00 -0.06 -4.82 105.19 108.68 3koy n GLY 256 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3koy n GLY 256 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3koy s MET 257 N -0.08 3.47 0.21 1.61 0.00 -0.74 -4.94 119.30 118.83 3koy s MET 257 Ca 0.00 1.91 -0.30 0.00 0.00 0.00 0.00 55.69 57.30 3koy s MET 257 Cb 0.00 -2.29 -0.08 0.00 0.00 0.00 0.00 34.83 32.46 3koy s MET 257 CO 0.00 -0.82 1.04 0.15 0.00 0.00 0.00 175.02 175.39 3koy s LYS 258 N -2.86 4.68 0.44 4.11 1.02 -1.26 -4.47 119.74 121.40 3koy s LYS 258 Ca 0.68 1.65 0.28 0.00 0.02 0.00 0.00 55.97 58.59 3koy s LYS 258 Cb -0.32 -3.27 1.51 0.00 -0.52 0.00 0.00 37.83 35.23 3koy s LYS 258 CO 0.38 0.23 1.84 -0.22 -0.92 0.00 0.00 175.35 176.66 3koy h LYS 259 N 4.64 0.00 -0.33 1.68 3.64 -1.92 0.12 116.57 124.40 3koy h LYS 259 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3koy h LYS 259 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3koy h LYS 259 CO 0.70 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 178.33 3koy n SER 260 N -2.51 3.22 -0.37 4.20 2.88 -1.26 -3.88 113.62 115.90 3koy n SER 260 Ca -0.02 -1.93 0.04 0.00 -1.33 0.00 0.00 58.87 55.63 3koy n SER 260 Cb 0.10 -0.21 0.05 0.00 -0.75 0.00 0.00 64.21 63.40 3koy n SER 260 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3koy n ASN 261 N 1.29 1.91 -4.39 -3.46 3.02 0.41 -4.82 115.26 109.22 3koy n ASN 261 Ca 0.17 -1.48 -0.44 0.00 -0.03 0.00 0.00 54.58 52.79 3koy n ASN 261 Cb 0.55 -0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.61 3koy n ASN 261 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3koy s ILE 262 N -0.77 5.22 -0.08 2.41 1.01 -1.16 -0.60 121.20 127.22 3koy s ILE 262 Ca 0.12 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 3koy s ILE 262 Cb 0.08 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3koy s ILE 262 CO 0.11 -0.60 0.06 0.00 0.00 0.00 0.00 174.94 174.51 3koy s LEU 264 N -1.07 4.08 -0.55 0.00 1.02 -0.42 -2.19 118.68 119.54 3koy s LEU 264 Ca 0.15 0.28 -0.28 0.00 0.02 0.00 0.00 54.13 54.31 3koy s LEU 264 Cb -0.12 -2.35 0.01 0.00 0.02 0.00 0.00 46.19 43.75 3koy s LEU 264 CO 0.05 -0.09 1.47 -0.44 0.02 0.00 0.00 176.35 177.35 3koy s SER 265 N 1.39 6.06 -0.24 2.29 0.01 -1.26 -0.28 113.70 121.67 3koy s SER 265 Ca 0.14 0.35 -0.00 0.00 1.31 0.00 0.00 55.95 57.75 3koy s SER 265 Cb -0.15 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.60 3koy s SER 265 CO 0.08 -1.75 -0.01 0.28 0.41 0.00 0.00 173.24 172.26 3koy s THR 266 N 6.30 1.23 -0.19 1.44 -1.32 -0.58 -3.74 115.64 118.78 3koy s THR 266 Ca 0.55 -1.13 -0.08 0.00 -1.21 0.00 0.00 61.69 59.82 3koy s THR 266 Cb -0.12 -1.63 -0.04 0.00 -1.51 0.00 0.00 72.50 69.20 3koy s THR 266 CO 0.25 -0.22 0.07 -0.69 -2.21 0.00 0.00 174.62 171.83 3koy s VAL 267 N 1.51 4.82 0.03 5.08 1.01 -1.26 -1.26 120.40 130.33 3koy s VAL 267 Ca -0.02 -0.02 -0.34 0.00 0.00 0.00 0.00 61.98 61.60 3koy s VAL 267 Cb -0.18 -3.18 -0.12 0.00 0.00 0.00 0.00 36.38 32.89 3koy s VAL 267 CO -0.09 0.44 1.78 -2.65 0.00 0.00 0.00 175.10 174.58 3koy n PRO 268 N 3.69 2.27 0.29 2.72 -0.02 -1.26 -4.87 135.00 137.81 3koy n PRO 268 Ca -0.16 0.83 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 3koy n PRO 268 Cb 0.52 -2.65 0.86 0.00 -0.02 0.00 0.00 33.50 32.21 3koy n PRO 268 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3koy h PRO 269 N 8.06 0.00 0.00 0.52 0.11 -1.93 -3.45 132.00 135.31 3koy h PRO 269 Ca -0.47 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 3koy h PRO 269 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 3koy h PRO 269 CO 0.93 0.05 -0.17 0.25 -0.21 0.00 0.00 178.00 178.84 3koy n THR 270 N -3.72 0.00 -3.49 -1.15 -2.24 -1.26 -4.53 114.28 97.90 3koy n THR 270 Ca -0.03 -0.88 -0.15 0.00 -2.27 0.00 0.00 64.05 60.72 3koy n THR 270 Cb 0.14 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 3koy n THR 270 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3koy s ALA 271 N -2.40 -1.65 0.49 6.98 0.00 -1.26 -4.91 121.76 119.01 3koy s ALA 271 Ca 0.06 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.72 3koy s ALA 271 Cb 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 23.12 23.45 3koy s ALA 271 CO 0.05 -0.54 1.21 -2.14 0.00 0.00 0.00 175.76 174.34 3koy s PRO 272 N -2.32 3.54 0.00 0.00 0.02 -1.26 -0.85 135.00 134.12 3koy s PRO 272 Ca -0.06 1.88 0.27 0.00 0.02 0.00 0.00 61.00 63.11 3koy s PRO 272 Cb -0.00 -2.32 1.58 0.00 0.02 0.00 0.00 34.50 33.78 3koy s PRO 272 CO -0.00 -0.76 1.95 -0.35 -0.33 0.00 0.00 177.00 177.50 3koy n PRO 273 N -0.74 0.87 -1.97 5.54 -0.05 -1.26 -5.08 135.00 132.31 3koy n PRO 273 Ca 0.09 0.00 -0.38 0.00 -0.05 0.00 0.00 63.50 63.16 3koy n PRO 273 Cb 0.48 -1.48 0.02 0.00 -0.05 0.00 0.00 33.50 32.47 3koy n PRO 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3koy s ALA 274 N -2.00 2.87 -1.16 0.55 0.00 -0.03 -4.85 121.76 117.13 3koy s ALA 274 Ca 0.40 1.18 -0.20 0.00 0.00 0.00 0.00 51.96 53.33 3koy s ALA 274 Cb 0.18 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 3koy s ALA 274 CO 0.31 -1.10 1.92 -2.30 0.00 0.00 0.00 175.76 174.58 3koy n PRO 275 N -0.85 2.17 -0.09 0.00 -0.02 -1.26 -4.68 135.00 130.27 3koy n PRO 275 Ca 0.09 -2.56 -0.11 0.00 -2.02 0.00 0.00 63.50 58.91 3koy n PRO 275 Cb 0.46 -3.43 0.03 0.00 -0.02 0.00 0.00 33.50 30.54 3koy n PRO 275 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3koy h SER 276 N 8.23 0.87 -0.59 2.55 4.64 -1.89 -1.92 113.55 125.46 3koy h SER 276 Ca 0.37 -0.39 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3koy h SER 276 Cb 0.82 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 3koy h SER 276 CO 1.54 1.14 0.38 0.24 -0.87 0.00 0.00 176.83 179.27 3koy h MET 277 N 0.68 0.75 -0.36 4.77 2.86 -1.94 0.33 114.93 122.02 3koy h MET 277 Ca 0.06 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3koy h MET 277 Cb 0.93 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 3koy h MET 277 CO 0.09 0.50 0.16 -0.92 1.06 0.00 0.00 176.91 177.80 3koy h TYR 278 N 0.77 0.53 -0.15 -0.22 3.20 -1.88 0.23 116.97 119.45 3koy h TYR 278 Ca 0.22 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 3koy h TYR 278 Cb -0.07 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3koy h TYR 278 CO -0.04 0.47 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.54 3koy h LEU 279 N 0.44 0.57 0.00 2.82 3.38 -1.11 -3.36 115.31 118.05 3koy h LEU 279 Ca 0.12 -0.56 -0.16 0.00 0.09 0.00 0.00 57.88 57.37 3koy h LEU 279 Cb 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3koy h LEU 279 CO -0.01 1.03 -1.18 0.44 0.09 0.00 0.00 178.44 178.80 3koy h ASP 280 N 0.13 0.00 -0.82 -0.43 3.32 -0.26 -3.38 116.42 114.98 3koy h ASP 280 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3koy h ASP 280 Cb 0.94 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.45 3koy h ASP 280 CO 0.07 0.60 0.54 0.25 -1.72 0.00 0.00 179.24 178.99 3koy h LEU 281 N 0.00 0.94 -0.50 1.55 5.85 -0.68 -2.31 115.31 120.15 3koy h LEU 281 Ca -0.12 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3koy h LEU 281 Cb 1.57 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 3koy h LEU 281 CO 0.06 0.68 0.06 -0.65 -0.34 0.00 0.00 178.44 178.25 3koy h PRO 282 N 1.11 0.84 -0.47 5.25 0.11 -1.75 -1.70 132.00 135.39 3koy h PRO 282 Ca 0.30 -0.23 0.05 0.00 0.11 0.00 0.00 66.00 66.23 3koy h PRO 282 Cb -0.12 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 30.84 3koy h PRO 282 CO -0.07 0.84 0.19 -0.92 -0.21 0.00 0.00 178.00 177.83 3koy h TYR 283 N 0.71 0.33 -0.27 0.65 3.20 -1.72 0.29 116.97 120.16 3koy h TYR 283 Ca 0.15 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.07 3koy h TYR 283 Cb 0.42 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3koy h TYR 283 CO 0.03 0.13 0.09 0.00 -1.64 0.00 0.00 178.16 176.77 3koy h ALA 284 N 1.29 0.30 -0.43 1.82 0.00 -1.25 0.24 119.26 121.23 3koy h ALA 284 Ca 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3koy h ALA 284 Cb 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3koy h ALA 284 CO -0.20 -0.32 0.19 0.28 0.00 0.00 0.00 179.25 179.19 3koy h VAL 285 N 0.20 1.19 0.14 0.00 2.07 -0.89 -1.94 116.25 117.03 3koy h VAL 285 Ca 0.12 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3koy h VAL 285 Cb 0.10 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3koy h VAL 285 CO -0.13 0.22 -0.07 0.00 0.02 0.00 0.00 177.57 177.61 3koy h ALA 286 N 1.03 -0.19 -0.69 1.67 0.00 0.24 -1.23 119.26 120.09 3koy h ALA 286 Ca 0.15 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3koy h ALA 286 Cb 0.17 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3koy h ALA 286 CO -0.01 -0.57 0.37 1.25 0.00 0.00 0.00 179.25 180.28 3koy h LEU 287 N -0.25 0.52 -0.76 0.00 5.85 -0.50 0.30 115.31 120.46 3koy h LEU 287 Ca -0.02 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3koy h LEU 287 Cb 0.20 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3koy h LEU 287 CO 0.03 0.32 -0.57 0.03 -0.34 0.00 0.00 178.44 177.91 3koy h ARG 288 N 0.65 0.14 -0.19 1.25 3.08 -0.94 -0.24 114.38 118.14 3koy h ARG 288 Ca 0.32 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 3koy h ARG 288 Cb 0.27 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3koy h ARG 288 CO -0.22 0.68 -0.37 0.93 -1.07 0.00 0.00 179.97 179.91 3koy h GLU 289 N 0.11 0.58 0.00 0.04 5.08 -0.84 -2.85 114.58 116.69 3koy h GLU 289 Ca -0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3koy h GLU 289 Cb 1.04 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3koy h GLU 289 CO 0.08 0.99 0.00 1.98 -1.00 0.00 0.00 179.01 181.06 3koy h MET 290 N 0.24 0.00 0.00 2.33 4.05 -0.70 -3.13 114.93 117.72 3koy h MET 290 Ca 0.01 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3koy h MET 290 Cb 0.97 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.71 3koy h MET 290 CO 0.08 0.00 -0.50 1.19 0.23 0.00 0.00 176.91 177.91 3koy n PHE 291 N -2.48 0.00 -1.64 1.39 3.72 -0.12 -5.04 117.46 113.28 3koy n PHE 291 Ca 0.04 -1.20 -0.49 0.00 -0.05 0.00 0.00 57.45 55.75 3koy n PHE 291 Cb 0.37 -0.21 -0.05 0.00 -0.94 0.00 0.00 39.48 38.65 3koy n PHE 291 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3koy n GLU 292 N -0.87 1.69 0.00 -1.08 1.02 -1.08 -1.75 120.64 118.57 3koy n GLU 292 Ca 0.16 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3koy n GLU 292 Cb 0.76 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 3koy n GLU 292 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3koy n GLY 293 N 3.12 3.16 3.85 0.62 0.00 -1.26 -5.07 105.19 109.60 3koy n GLY 293 Ca 0.18 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3koy n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3koy s TYR 294 N -0.21 3.45 0.26 1.61 2.02 -0.72 -4.54 117.35 119.22 3koy s TYR 294 Ca 0.00 1.36 -0.18 0.00 -0.37 0.00 0.00 57.07 57.88 3koy s TYR 294 Cb 0.00 -2.78 -0.08 0.00 -0.40 0.00 0.00 41.96 38.69 3koy s TYR 294 CO 0.00 -0.81 0.72 1.03 -1.57 0.00 0.00 175.55 174.92 3koy s ARG 295 N -4.96 4.15 -0.31 -0.62 1.81 -0.76 -4.99 118.95 113.26 3koy s ARG 295 Ca 0.57 0.78 -0.10 0.00 -1.72 0.00 0.00 55.73 55.26 3koy s ARG 295 Cb -0.12 -2.72 -0.01 0.00 -0.45 0.00 0.00 34.95 31.65 3koy s ARG 295 CO 0.51 0.31 0.17 -1.64 -0.68 0.00 0.00 175.30 173.97 3koy s MET 296 N -2.34 3.40 -0.74 3.54 -1.94 -1.26 -1.31 119.30 118.65 3koy s MET 296 Ca 0.47 -0.68 -0.10 0.00 -1.71 0.00 0.00 55.69 53.66 3koy s MET 296 Cb -0.14 -3.61 0.19 0.00 2.01 0.00 0.00 34.83 33.29 3koy s MET 296 CO 0.20 -0.41 0.64 0.50 -0.01 0.00 0.00 175.02 175.94 3koy s ARG 297 N 1.64 3.22 -0.08 2.03 3.00 0.62 -0.84 118.95 128.54 3koy s ARG 297 Ca 0.05 -2.44 -0.30 0.00 -1.00 0.00 0.00 55.73 52.05 3koy s ARG 297 Cb -0.17 -4.19 -0.03 0.00 0.00 0.00 0.00 34.95 30.56 3koy s ARG 297 CO 0.07 -1.25 1.35 0.00 0.00 0.00 0.00 175.30 175.46 3koy s ALA 298 N 0.18 3.60 0.35 6.12 0.00 0.07 -1.53 121.76 130.55 3koy s ALA 298 Ca 0.17 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.88 3koy s ALA 298 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3koy s ALA 298 CO -0.06 -1.05 0.30 -1.14 0.00 0.00 0.00 175.76 173.81 3koy s GLN 299 N 3.02 2.66 0.38 0.00 2.00 -0.39 -0.98 119.66 126.35 3koy s GLN 299 Ca 0.60 -1.36 0.06 0.00 -2.00 0.00 0.00 55.36 52.66 3koy s GLN 299 Cb -0.27 -2.44 -0.00 0.00 0.80 0.00 0.00 33.01 31.10 3koy s GLN 299 CO 0.22 0.03 0.53 -1.64 -0.50 0.00 0.00 175.29 173.92 3koy s MET 300 N -4.02 3.00 0.20 1.67 -1.94 -1.26 -4.24 119.30 112.71 3koy s MET 300 Ca 0.42 -1.02 -0.31 0.00 -1.71 0.00 0.00 55.69 53.07 3koy s MET 300 Cb -0.05 -2.77 -0.10 0.00 2.01 0.00 0.00 34.83 33.92 3koy s MET 300 CO 0.27 -0.10 1.51 1.21 -0.01 0.00 0.00 175.02 177.90 3koy s ASN 301 N -4.24 6.61 0.00 3.03 2.47 -1.26 -4.91 114.94 116.64 3koy s ASN 301 Ca 0.49 2.64 0.00 0.00 0.42 0.00 0.00 52.86 56.41 3koy s ASN 301 Cb -0.10 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 3koy s ASN 301 CO 0.33 -0.78 0.00 0.35 -3.72 0.00 0.00 177.10 173.28 3koy n THR 302 N 3.27 0.00 0.28 -5.21 -2.24 -1.26 -4.87 114.28 104.24 3koy n THR 302 Ca 0.11 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 3koy n THR 302 Cb 0.39 0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 3koy n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3koy h LYS 303 N 0.00 -0.63 -3.78 -0.78 3.64 -1.94 -3.36 116.57 109.72 3koy h LYS 303 Ca 0.00 0.04 -0.78 0.00 -1.27 0.00 0.00 60.65 58.64 3koy h LYS 303 Cb 0.00 0.14 -0.24 0.00 -0.41 0.00 0.00 32.23 31.72 3koy h LYS 303 CO 0.00 -0.40 0.87 0.66 -2.27 0.00 0.00 179.45 178.30 3koy n TYR 304 N -5.36 4.59 -3.66 1.91 4.01 -1.26 -4.93 117.16 112.46 3koy n TYR 304 Ca -0.12 -3.49 -0.12 0.00 -0.16 0.00 0.00 57.90 54.01 3koy n TYR 304 Cb 0.28 -1.79 -0.06 0.00 -0.31 0.00 0.00 39.34 37.46 3koy n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3koy s MET 305 N -0.63 0.94 0.00 -0.72 1.75 -1.26 -4.94 119.30 114.44 3koy s MET 305 Ca 0.35 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.38 3koy s MET 305 Cb -0.04 0.42 0.00 0.00 2.84 0.00 0.00 34.83 38.04 3koy s MET 305 CO -0.02 -0.33 0.00 -1.91 -0.65 0.00 0.00 175.02 172.11 3koy n GLU 306 N 0.41 0.00 0.00 4.11 4.07 -1.26 -4.97 120.64 123.00 3koy n GLU 306 Ca -0.18 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.05 3koy n GLU 306 Cb 0.60 0.00 0.37 0.00 -0.06 0.00 0.00 31.44 32.35 3koy n GLU 306 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3koy n ALA 307 N -3.00 3.19 -2.60 4.31 0.00 -1.26 -3.89 120.51 117.27 3koy n ALA 307 Ca 0.00 -0.30 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 3koy n ALA 307 Cb 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 3koy n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3koy s SER 308 N -2.89 6.67 0.44 0.00 0.15 -1.26 -4.84 113.70 111.97 3koy s SER 308 Ca 0.15 0.54 0.19 0.00 0.70 0.00 0.00 55.95 57.53 3koy s SER 308 Cb 0.18 -2.49 1.02 0.00 -1.71 0.00 0.00 66.02 63.02 3koy s SER 308 CO 0.63 -0.99 1.92 0.71 1.20 0.00 0.00 173.24 176.71 3koy h THR 309 N 5.95 0.92 -0.46 6.45 1.35 -1.86 -2.75 112.91 122.51 3koy h THR 309 Ca -0.23 -0.95 -0.06 0.00 -0.55 0.00 0.00 66.41 64.62 3koy h THR 309 Cb 1.07 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.03 3koy h THR 309 CO 1.03 0.25 0.07 -0.09 -0.25 0.00 0.00 175.52 176.53 3koy h ARG 310 N 0.00 0.77 -0.84 4.72 2.43 -1.90 -2.29 114.38 117.26 3koy h ARG 310 Ca -0.00 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3koy h ARG 310 Cb 0.53 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3koy h ARG 310 CO 0.03 0.79 0.43 1.49 -1.51 0.00 0.00 179.97 181.20 3koy h GLU 311 N 0.63 1.20 -0.21 0.20 4.81 -1.90 -1.84 114.58 117.46 3koy h GLU 311 Ca 0.14 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3koy h GLU 311 Cb 0.40 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3koy h GLU 311 CO 0.01 0.90 -0.18 0.00 -0.73 0.00 0.00 179.01 179.01 3koy h ALA 312 N 1.23 1.30 0.10 2.92 0.00 -1.27 -1.90 119.26 121.64 3koy h ALA 312 Ca 0.29 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 3koy h ALA 312 Cb 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.79 3koy h ALA 312 CO -0.04 0.47 -0.98 1.15 0.00 0.00 0.00 179.25 179.85 3koy h THR 313 N 0.34 1.38 -0.83 0.00 2.02 -1.12 -1.53 112.91 113.17 3koy h THR 313 Ca 0.06 -2.40 0.03 0.00 0.77 0.00 0.00 66.41 64.88 3koy h THR 313 Cb 0.52 2.83 -0.05 0.00 -1.74 0.00 0.00 68.15 69.71 3koy h THR 313 CO 0.03 0.71 0.53 0.58 0.37 0.00 0.00 175.52 177.74 3koy h VAL 314 N -0.01 1.13 0.00 3.16 2.07 -1.14 -1.65 116.25 119.81 3koy h VAL 314 Ca -0.15 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 3koy h VAL 314 Cb 1.70 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3koy h VAL 314 CO 0.19 0.19 -0.45 0.74 0.02 0.00 0.00 177.57 178.26 3koy h THR 315 N 1.04 1.03 0.00 2.57 2.02 -1.28 -3.00 112.91 115.29 3koy h THR 315 Ca 0.33 -1.73 -0.10 0.00 0.77 0.00 0.00 66.41 65.69 3koy h THR 315 Cb 0.01 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3koy h THR 315 CO -0.12 0.44 -0.48 0.45 0.37 0.00 0.00 175.52 176.18 3koy h HIS 316 N 0.00 0.00 -0.15 3.16 3.86 -0.44 -0.86 115.15 120.73 3koy h HIS 316 Ca -0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 3koy h HIS 316 Cb 0.98 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.45 3koy h HIS 316 CO 0.00 0.48 -0.44 0.28 0.86 0.00 0.00 177.93 179.12 3koy h VAL 317 N 0.00 1.35 -0.26 2.45 2.07 -1.20 0.12 116.25 120.78 3koy h VAL 317 Ca -0.00 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 3koy h VAL 317 Cb 0.97 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 3koy h VAL 317 CO 0.06 0.52 0.12 -0.07 0.02 0.00 0.00 177.57 178.23 3koy h LEU 318 N 0.20 0.31 -0.52 2.57 3.38 -1.46 0.23 115.31 120.03 3koy h LEU 318 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3koy h LEU 318 Cb 1.05 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3koy h LEU 318 CO 0.09 0.27 0.24 0.78 0.09 0.00 0.00 178.44 179.91 3koy h ASN 319 N 0.36 0.69 -0.30 -0.43 -0.26 -0.70 -1.48 115.58 113.46 3koy h ASN 319 Ca 0.09 -0.14 -0.05 0.00 -0.56 0.00 0.00 56.30 55.64 3koy h ASN 319 Cb 0.04 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 3koy h ASN 319 CO -0.01 0.64 0.02 -0.07 -1.06 0.00 0.00 177.43 176.95 3koy h LEU 320 N 0.69 0.59 -0.51 1.61 3.38 0.05 -2.55 115.31 118.56 3koy h LEU 320 Ca 0.18 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3koy h LEU 320 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3koy h LEU 320 CO -0.02 0.64 0.14 0.25 0.09 0.00 0.00 178.44 179.55 3koy h LEU 321 N 0.60 0.76 -0.41 1.67 5.85 -0.15 0.19 115.31 123.81 3koy h LEU 321 Ca 0.13 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3koy h LEU 321 Cb 0.35 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3koy h LEU 321 CO 0.01 0.78 0.14 0.40 -0.34 0.00 0.00 178.44 179.43 3koy h ILE 322 N 0.70 0.86 -0.60 4.05 1.08 -1.10 0.27 117.51 122.77 3koy h ILE 322 Ca 0.16 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 3koy h ILE 322 Cb 0.31 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 3koy h ILE 322 CO -0.00 0.05 0.38 0.28 -0.69 0.00 0.00 178.15 178.17 3koy h SER 323 N 0.30 0.70 -0.54 1.72 0.02 -0.97 -1.87 113.55 112.89 3koy h SER 323 Ca 0.19 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 3koy h SER 323 Cb 0.19 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3koy h SER 323 CO -0.21 0.52 -0.08 0.50 -1.14 0.00 0.00 176.83 176.42 3koy h LYS 324 N 0.81 1.03 0.00 3.45 1.63 -0.27 -2.29 116.57 120.92 3koy h LYS 324 Ca 0.22 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 3koy h LYS 324 Cb -0.07 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 3koy h LYS 324 CO -0.04 1.05 0.00 -0.07 -3.45 0.00 0.00 179.45 176.94 3koy h LEU 325 N 0.92 0.00 0.00 5.20 3.38 -0.31 -3.43 115.31 121.07 3koy h LEU 325 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3koy h LEU 325 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3koy h LEU 325 CO 0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.92 3koy n THR 326 N -2.38 0.00 -3.52 0.22 -2.24 -0.72 -4.92 114.28 100.72 3koy n THR 326 Ca 0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 3koy n THR 326 Cb 0.25 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 3koy n THR 326 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3koy s ARG 327 N 1.59 0.98 -0.12 -0.78 1.70 -0.90 -5.02 118.95 116.40 3koy s ARG 327 Ca 0.00 0.18 -0.04 0.00 -0.47 0.00 0.00 55.73 55.40 3koy s ARG 327 Cb 0.00 0.46 0.05 0.00 -0.57 0.00 0.00 34.95 34.89 3koy s ARG 327 CO 0.00 -0.32 0.10 0.00 -1.08 0.00 0.00 175.30 174.00 3koy s ALA 328 N -1.38 0.20 0.09 7.88 0.00 -1.26 -4.85 121.76 122.44 3koy s ALA 328 Ca -0.08 0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 3koy s ALA 328 Cb -0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 23.12 22.14 3koy s ALA 328 CO 0.07 -0.86 1.44 -0.44 0.00 0.00 0.00 175.76 175.97 3koy h ASP 329 N 8.41 0.63 -3.29 0.00 3.32 -1.37 -3.42 116.42 120.70 3koy h ASP 329 Ca -0.14 -0.43 -0.67 0.00 0.02 0.00 0.00 57.03 55.81 3koy h ASP 329 Cb 1.14 -0.18 -0.31 0.00 0.22 0.00 0.00 39.33 40.20 3koy h ASP 329 CO 0.22 0.93 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.20 3koy s ILE 330 N -4.51 2.44 -0.56 0.35 1.01 -0.69 -2.87 121.20 116.36 3koy s ILE 330 Ca -0.13 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 3koy s ILE 330 Cb 0.08 -1.99 0.15 0.00 0.01 0.00 0.00 42.46 40.71 3koy s ILE 330 CO 0.80 0.54 0.38 -1.58 0.00 0.00 0.00 174.94 175.07 3koy s GLN 331 N 0.57 2.43 0.70 2.79 2.00 0.06 -0.75 119.66 127.46 3koy s GLN 331 Ca -0.11 -2.30 -0.11 0.00 -2.00 0.00 0.00 55.36 50.84 3koy s GLN 331 Cb -0.16 -3.72 0.01 0.00 0.80 0.00 0.00 33.01 29.94 3koy s GLN 331 CO 0.04 -1.15 1.06 -1.12 -0.50 0.00 0.00 175.29 173.62 3koy s SER 332 N 1.13 5.41 0.25 6.67 0.01 -0.15 -2.74 113.70 124.28 3koy s SER 332 Ca 0.14 1.55 0.07 0.00 1.31 0.00 0.00 55.95 59.02 3koy s SER 332 Cb -0.21 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 3koy s SER 332 CO -0.04 -1.42 -0.09 0.42 0.41 0.00 0.00 173.24 172.53 3koy s THR 333 N -3.08 1.68 -0.04 1.44 -4.23 -1.20 -4.21 115.64 106.00 3koy s THR 333 Ca 0.58 -2.16 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 3koy s THR 333 Cb -0.14 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3koy s THR 333 CO 0.55 -0.40 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.46 3koy s ILE 334 N -2.99 1.15 0.24 2.99 -1.09 -1.26 -4.60 121.20 115.64 3koy s ILE 334 Ca 0.27 -0.54 -0.30 0.00 -2.23 0.00 0.00 60.65 57.85 3koy s ILE 334 Cb 0.02 -1.01 -0.09 0.00 -1.58 0.00 0.00 42.46 39.80 3koy s ILE 334 CO 0.10 0.34 1.09 0.42 -1.23 0.00 0.00 174.94 175.67 3koy s THR 335 N 0.24 3.64 0.58 2.92 -4.23 -1.26 -4.70 115.64 112.83 3koy s THR 335 Ca -0.06 1.57 0.40 0.00 -1.18 0.00 0.00 61.69 62.42 3koy s THR 335 Cb -0.12 -4.00 0.40 0.00 1.34 0.00 0.00 72.50 70.13 3koy s THR 335 CO 0.02 0.34 2.23 -0.65 -0.54 0.00 0.00 174.62 176.02 3koy h PRO 336 N 4.28 0.00 -0.68 3.99 0.11 -1.90 -0.88 132.00 136.93 3koy h PRO 336 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3koy h PRO 336 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3koy h PRO 336 CO 0.69 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3koy n ASP 337 N -2.96 4.07 0.05 -2.05 5.75 -1.26 -4.01 116.55 116.13 3koy n ASP 337 Ca -0.03 -2.18 0.09 0.00 -0.01 0.00 0.00 54.79 52.66 3koy n ASP 337 Cb 0.12 -0.51 0.53 0.00 -1.03 0.00 0.00 41.12 40.23 3koy n ASP 337 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3koy h GLU 338 N 3.99 0.30 -0.71 0.11 4.22 -1.38 -1.51 114.58 119.60 3koy h GLU 338 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3koy h GLU 338 Cb 1.13 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3koy h GLU 338 CO 0.10 0.20 0.00 0.41 -2.18 0.00 0.00 179.01 177.53 3koy n GLY 339 N -1.52 2.38 0.00 1.92 0.00 -1.25 -4.14 105.19 102.58 3koy n GLY 339 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3koy n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3koy n ARG 340 N 0.45 0.75 -3.61 1.61 0.63 -0.60 -4.07 116.66 111.83 3koy n ARG 340 Ca 0.18 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 57.09 3koy n ARG 340 Cb 0.84 -0.61 -0.01 0.00 0.45 0.00 0.00 32.46 33.13 3koy n ARG 340 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3koy s ASN 341 N -1.69 -0.11 0.16 6.15 2.20 -1.02 -4.94 114.94 115.69 3koy s ASN 341 Ca 0.00 -0.05 -0.31 0.00 -0.94 0.00 0.00 52.86 51.55 3koy s ASN 341 Cb 0.00 0.16 -0.09 0.00 -2.00 0.00 0.00 41.25 39.31 3koy s ASN 341 CO 0.00 -0.27 1.49 -0.69 -2.94 0.00 0.00 177.10 174.70 3koy s VAL 342 N -2.43 2.84 0.11 3.54 1.01 -1.26 -4.50 120.40 119.71 3koy s VAL 342 Ca 0.11 0.62 -0.35 0.00 0.00 0.00 0.00 61.98 62.36 3koy s VAL 342 Cb 0.01 -3.40 -0.17 0.00 0.00 0.00 0.00 36.38 32.82 3koy s VAL 342 CO -0.04 0.06 1.10 -2.65 0.00 0.00 0.00 175.10 173.57 3koy n PRO 343 N 3.73 0.72 -3.38 2.72 -0.02 -1.26 -4.98 135.00 132.53 3koy n PRO 343 Ca 0.12 0.26 -0.25 0.00 -2.02 0.00 0.00 63.50 61.60 3koy n PRO 343 Cb 0.40 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 3koy n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3koy s TRP 344 N -0.09 3.50 0.20 6.00 0.52 -1.26 -4.83 118.94 122.97 3koy s TRP 344 Ca 0.79 0.43 -0.22 0.00 0.02 0.00 0.00 56.10 57.12 3koy s TRP 344 Cb -0.99 -1.95 0.13 0.00 -1.15 0.00 0.00 33.47 29.51 3koy s TRP 344 CO 0.53 0.15 1.56 0.45 0.02 0.00 0.00 176.95 179.65 3koy h HIS 345 N 1.08 -1.26 0.00 -1.98 3.86 -1.39 -2.10 115.15 113.35 3koy h HIS 345 Ca -0.49 0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 58.80 3koy h HIS 345 Cb 1.21 0.68 -0.00 0.00 1.06 0.00 0.00 27.41 30.35 3koy h HIS 345 CO 0.53 -0.40 -0.11 -0.84 0.86 0.00 0.00 177.93 177.98 3koy h ILE 346 N -0.06 0.93 0.00 2.45 3.07 -1.95 -2.92 117.51 119.04 3koy h ILE 346 Ca 0.27 -0.38 -0.04 0.00 1.55 0.00 0.00 64.86 66.26 3koy h ILE 346 Cb 0.55 1.21 -0.01 0.00 -0.27 0.00 0.00 36.82 38.31 3koy h ILE 346 CO -0.90 0.10 -0.90 1.88 -1.05 0.00 0.00 178.15 177.29 3koy h TYR 347 N 0.00 0.00 -0.56 0.16 0.05 -1.78 -0.80 116.97 114.03 3koy h TYR 347 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 3koy h TYR 347 Cb 0.20 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 3koy h TYR 347 CO 0.00 0.16 0.16 -0.91 -1.05 0.00 0.00 178.16 176.52 3koy h ASN 348 N 0.00 0.84 0.41 3.88 4.21 -1.31 -1.02 115.58 122.58 3koy h ASN 348 Ca -0.03 -0.22 -0.07 0.00 1.21 0.00 0.00 56.30 57.19 3koy h ASN 348 Cb 1.15 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 3koy h ASN 348 CO 0.01 0.84 -0.33 0.40 -1.29 0.00 0.00 177.43 177.06 3koy h ILE 349 N 0.80 1.13 -0.23 2.81 5.03 -1.41 -1.18 117.51 124.45 3koy h ILE 349 Ca 0.18 -1.16 -0.03 0.00 -0.12 0.00 0.00 64.86 63.73 3koy h ILE 349 Cb 0.31 1.65 -0.01 0.00 -3.03 0.00 0.00 36.82 35.74 3koy h ILE 349 CO -0.00 0.32 0.03 -0.33 -0.68 0.00 0.00 178.15 177.49 3koy h GLU 350 N 0.00 0.39 -0.26 2.37 5.08 -0.89 -1.91 114.58 119.37 3koy h GLU 350 Ca -0.00 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3koy h GLU 350 Cb 0.62 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 3koy h GLU 350 CO 0.04 0.53 -0.30 0.00 -1.00 0.00 0.00 179.01 178.28 3koy h ALA 351 N 0.84 -0.24 -0.35 3.43 0.00 -0.60 0.14 119.26 122.48 3koy h ALA 351 Ca 0.07 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3koy h ALA 351 Cb 0.33 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3koy h ALA 351 CO 0.01 -0.74 -0.17 0.00 0.00 0.00 0.00 179.25 178.34 3koy h ASP 353 N 0.51 -0.89 -0.56 0.00 3.32 -1.11 -1.17 116.42 116.52 3koy h ASP 353 Ca 0.08 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.33 3koy h ASP 353 Cb 0.71 0.32 -0.10 0.00 0.22 0.00 0.00 39.33 40.48 3koy h ASP 353 CO 0.05 -0.43 -0.12 0.74 -1.72 0.00 0.00 179.24 177.77 3koy h THR 354 N -0.61 0.45 0.50 0.35 2.02 -0.66 0.30 112.91 115.27 3koy h THR 354 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3koy h THR 354 Cb 0.59 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3koy h THR 354 CO -0.12 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 175.53 3koy h ALA 355 N 1.55 -0.67 -0.70 6.16 0.00 -1.07 -1.85 119.26 122.69 3koy h ALA 355 Ca 0.27 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3koy h ALA 355 Cb 0.42 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 3koy h ALA 355 CO -0.56 -0.82 0.31 -0.22 0.00 0.00 0.00 179.25 177.95 3koy h LYS 356 N -0.78 0.49 -0.28 0.00 3.64 -0.98 -2.03 116.57 116.63 3koy h LYS 356 Ca -0.07 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 3koy h LYS 356 Cb 0.56 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3koy h LYS 356 CO 0.11 0.32 -0.08 0.37 -2.27 0.00 0.00 179.45 177.90 3koy h GLN 357 N 0.50 0.54 -0.37 1.90 4.15 -0.84 -2.10 115.11 118.90 3koy h GLN 357 Ca 0.36 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 59.43 3koy h GLN 357 Cb 0.45 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 3koy h GLN 357 CO -0.32 0.76 -0.29 0.00 -1.93 0.00 0.00 178.83 177.05 3koy h ALA 358 N 0.77 0.79 -0.35 3.38 0.00 -1.23 0.19 119.26 122.79 3koy h ALA 358 Ca 0.07 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 3koy h ALA 358 Cb 0.57 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3koy h ALA 358 CO 0.03 0.65 -0.41 -0.07 0.00 0.00 0.00 179.25 179.45 3koy h LEU 359 N 0.67 0.98 -0.63 0.00 3.38 -1.38 -1.24 115.31 117.09 3koy h LEU 359 Ca 0.08 -0.48 -0.15 0.00 0.09 0.00 0.00 57.88 57.42 3koy h LEU 359 Cb 0.83 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3koy h LEU 359 CO 0.07 1.26 -0.52 0.40 0.09 0.00 0.00 178.44 179.75 3koy h ILE 360 N 0.71 1.33 0.00 1.22 1.08 -1.39 -1.75 117.51 118.72 3koy h ILE 360 Ca 0.05 -1.76 -0.01 0.00 -0.39 0.00 0.00 64.86 62.74 3koy h ILE 360 Cb 1.01 1.78 -0.00 0.00 -3.07 0.00 0.00 36.82 36.54 3koy h ILE 360 CO 0.10 0.54 -0.06 1.23 -0.69 0.00 0.00 178.15 179.27 3koy h GLY 361 N 1.18 0.00 -2.81 5.37 0.00 -0.69 -2.31 103.07 103.81 3koy h GLY 361 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3koy h GLY 361 CO 0.09 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.66 3koy n MET 362 N -3.48 3.61 -1.68 4.80 2.81 -0.49 -4.99 117.12 117.69 3koy n MET 362 Ca -0.02 -2.83 -0.49 0.00 -1.81 0.00 0.00 57.70 52.55 3koy n MET 362 Cb 0.19 -1.84 -0.05 0.00 -0.71 0.00 0.00 33.22 30.81 3koy n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3koy n ASP 363 N 0.97 3.23 -1.07 7.83 2.03 -0.87 -0.97 116.55 127.69 3koy n ASP 363 Ca 0.24 1.00 -0.13 0.00 0.52 0.00 0.00 54.79 56.42 3koy n ASP 363 Cb 0.86 -1.34 -0.05 0.00 -0.72 0.00 0.00 41.12 39.86 3koy n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3koy n GLY 364 N 4.22 1.29 0.34 0.27 0.00 -1.26 -4.85 105.19 105.20 3koy n GLY 364 Ca 0.22 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3koy n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3koy h LEU 365 N 0.00 0.54 0.00 0.99 5.85 -1.44 -1.94 115.31 119.31 3koy h LEU 365 Ca -0.28 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3koy h LEU 365 Cb 0.91 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3koy h LEU 365 CO 0.40 0.36 0.00 0.23 -0.34 0.00 0.00 178.44 179.09 3koy n MET 366 N -4.47 0.82 0.00 1.25 2.81 -1.26 -0.39 117.12 115.87 3koy n MET 366 Ca 0.08 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.10 3koy n MET 366 Cb 0.21 -1.23 0.37 0.00 -0.71 0.00 0.00 33.22 31.86 3koy n MET 366 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3koy n ASP 367 N -0.73 1.08 0.00 7.83 8.00 -0.73 -4.38 116.55 127.62 3koy n ASP 367 Ca 0.09 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.66 3koy n ASP 367 Cb 0.04 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3koy n ASP 367 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3koy n MET 368 N -0.60 2.64 -4.89 -1.24 2.81 0.02 -5.06 117.12 110.80 3koy n MET 368 Ca 0.12 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.73 3koy n MET 368 Cb 0.35 -0.77 -0.15 0.00 -0.71 0.00 0.00 33.22 31.94 3koy n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3koy s VAL 369 N -1.17 1.86 0.04 2.03 1.01 0.47 -5.14 120.40 119.51 3koy s VAL 369 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 3koy s VAL 369 Cb 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3koy s VAL 369 CO 0.00 0.36 0.29 0.00 0.00 0.00 0.00 175.10 175.75 3koy s GLN 370 N -0.98 0.78 -0.01 2.72 -2.07 -1.26 -4.41 119.66 114.43 3koy s GLN 370 Ca 0.09 -0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 52.85 3koy s GLN 370 Cb -0.09 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 3koy s GLN 370 CO 0.01 -0.24 1.10 -0.51 -1.32 0.00 0.00 175.29 174.33 3koy s LEU 371 N -1.98 4.33 -1.11 2.60 1.43 -1.26 -4.93 118.68 117.75 3koy s LEU 371 Ca -0.06 1.78 -0.23 0.00 -1.03 0.00 0.00 54.13 54.59 3koy s LEU 371 Cb -0.01 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.57 3koy s LEU 371 CO -0.03 -0.43 1.93 -0.54 0.23 0.00 0.00 176.35 177.51 3koy s LYS 372 N 1.49 2.57 0.52 1.70 1.02 -1.26 -4.77 119.74 121.01 3koy s LYS 372 Ca 0.54 -0.96 0.30 0.00 0.02 0.00 0.00 55.97 55.88 3koy s LYS 372 Cb -0.24 -5.21 1.27 0.00 -0.52 0.00 0.00 37.83 33.13 3koy s LYS 372 CO 0.25 -3.75 1.96 -0.09 -0.92 0.00 0.00 175.35 172.79 3koy h ARG 373 N 10.07 0.00 -5.00 1.68 9.65 -1.98 -3.39 114.38 125.42 3koy h ARG 373 Ca 0.19 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 58.43 3koy h ARG 373 Cb 0.95 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 29.33 3koy h ARG 373 CO 1.23 0.08 -0.60 -2.00 2.80 0.00 0.00 179.97 181.48 3koy s GLU 374 N -3.72 3.75 0.00 0.20 2.12 -1.26 -2.17 118.70 117.61 3koy s GLU 374 Ca 0.00 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.90 3koy s GLU 374 Cb 0.10 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3koy s GLU 374 CO 0.57 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 3koy n GLY 375 N 4.69 -0.20 0.37 -1.50 0.00 -1.26 -4.82 105.19 102.47 3koy n GLY 375 Ca -0.16 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.02 3koy n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3koy h VAL 376 N 0.00 1.07 -0.12 1.61 3.04 -1.93 -2.61 116.25 117.31 3koy h VAL 376 Ca 0.00 -0.36 0.02 0.00 -1.01 0.00 0.00 66.70 65.35 3koy h VAL 376 Cb 0.00 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 29.18 3koy h VAL 376 CO 0.00 0.19 -0.03 0.25 -1.01 0.00 0.00 177.57 176.97 3koy h LEU 377 N 1.06 -0.11 -0.94 3.16 5.85 -1.85 -1.60 115.31 120.88 3koy h LEU 377 Ca 0.40 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 59.09 3koy h LEU 377 Cb 0.19 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3koy h LEU 377 CO -0.15 -0.04 0.06 1.23 -0.34 0.00 0.00 178.44 179.20 3koy h GLY 378 N 0.00 0.90 0.84 3.75 0.00 -1.19 -1.61 103.07 105.77 3koy h GLY 378 Ca 0.06 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 3koy h GLY 378 CO -0.12 0.53 0.04 -0.55 0.00 0.00 0.00 176.54 176.44 3koy h ASP 379 N 0.80 0.26 -0.43 0.19 3.32 -1.13 -2.04 116.42 117.38 3koy h ASP 379 Ca 0.16 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 3koy h ASP 379 Cb 0.39 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3koy h ASP 379 CO 0.01 0.42 -0.11 0.74 -1.72 0.00 0.00 179.24 178.58 3koy h THR 380 N 0.09 1.27 -0.80 0.35 2.02 -1.12 -0.62 112.91 114.10 3koy h THR 380 Ca 0.05 -1.22 0.15 0.00 0.77 0.00 0.00 66.41 66.16 3koy h THR 380 Cb 0.26 1.18 -0.09 0.00 -1.74 0.00 0.00 68.15 67.75 3koy h THR 380 CO 0.00 0.41 0.37 0.58 0.37 0.00 0.00 175.52 177.25 3koy h VAL 381 N 0.66 0.69 0.98 3.16 2.07 -1.24 0.23 116.25 122.80 3koy h VAL 381 Ca 0.11 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3koy h VAL 381 Cb 0.65 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3koy h VAL 381 CO 0.04 0.10 -0.47 -0.09 0.02 0.00 0.00 177.57 177.17 3koy h ARG 382 N 0.53 -1.27 -0.75 1.57 9.65 -0.61 -2.67 114.38 120.82 3koy h ARG 382 Ca 0.44 0.09 0.17 0.00 -1.10 0.00 0.00 59.98 59.57 3koy h ARG 382 Cb 0.65 0.29 -0.11 0.00 -1.39 0.00 0.00 29.97 29.41 3koy h ARG 382 CO -0.38 -0.85 0.19 1.49 2.80 0.00 0.00 179.97 183.22 3koy h GLU 383 N -1.32 0.26 -0.23 0.20 4.81 -0.29 -0.07 114.58 117.94 3koy h GLU 383 Ca -0.13 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3koy h GLU 383 Cb 1.01 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 3koy h GLU 383 CO 0.22 0.18 0.12 -0.07 -0.73 0.00 0.00 179.01 178.73 3koy h LEU 384 N 0.27 0.19 -0.48 1.64 3.38 -1.00 0.04 115.31 119.35 3koy h LEU 384 Ca 0.43 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.49 3koy h LEU 384 Cb 0.74 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 3koy h LEU 384 CO -0.52 0.14 0.05 0.11 0.09 0.00 0.00 178.44 178.32 3koy h LYS 385 N 0.26 0.17 -0.36 1.13 1.57 -0.70 -2.11 116.57 116.53 3koy h LYS 385 Ca 0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3koy h LYS 385 Cb 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3koy h LYS 385 CO -0.05 0.11 0.20 0.93 -0.57 0.00 0.00 179.45 180.07 3koy h GLU 386 N 0.17 0.50 -0.76 3.15 5.08 -0.72 -0.22 114.58 121.79 3koy h GLU 386 Ca 0.24 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.63 3koy h GLU 386 Cb 0.34 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 3koy h GLU 386 CO -0.35 0.41 0.50 0.00 -1.00 0.00 0.00 179.01 178.56 3koy h ARG 387 N 0.45 0.69 0.02 2.33 3.08 -0.67 0.20 114.38 120.49 3koy h ARG 387 Ca 0.13 -0.04 -0.25 0.00 0.07 0.00 0.00 59.98 59.88 3koy h ARG 387 Cb 0.06 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.96 3koy h ARG 387 CO -0.02 0.46 -1.03 0.00 -1.07 0.00 0.00 179.97 178.31 3koy h ALA 388 N 1.61 0.23 -0.60 0.04 0.00 -0.95 -1.05 119.26 118.54 3koy h ALA 388 Ca 0.34 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3koy h ALA 388 Cb 0.40 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3koy h ALA 388 CO -0.12 0.77 0.19 0.28 0.00 0.00 0.00 179.25 180.37 3koy h VAL 389 N 0.28 1.23 -0.45 0.00 2.07 -0.43 -1.12 116.25 117.83 3koy h VAL 389 Ca -0.11 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3koy h VAL 389 Cb 1.68 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3koy h VAL 389 CO 0.19 0.30 0.24 -0.07 0.02 0.00 0.00 177.57 178.24 3koy h LEU 390 N 0.88 0.57 -0.65 2.57 3.38 -0.43 -2.14 115.31 119.49 3koy h LEU 390 Ca 0.20 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3koy h LEU 390 Cb 0.25 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3koy h LEU 390 CO -0.01 0.51 0.39 0.15 0.09 0.00 0.00 178.44 179.57 3koy h PHE 391 N 0.59 0.72 -0.64 1.13 -0.00 -0.62 0.15 116.94 118.28 3koy h PHE 391 Ca 0.16 0.02 0.06 0.00 -0.00 0.00 0.00 57.97 58.21 3koy h PHE 391 Cb 0.07 -0.23 -0.06 0.00 -0.00 0.00 0.00 35.95 35.73 3koy h PHE 391 CO -0.02 0.40 0.34 0.52 -0.00 0.00 0.00 178.31 179.55 3koy h MET 392 N 0.75 0.61 -0.17 1.11 2.86 -1.06 -2.07 114.93 116.96 3koy h MET 392 Ca 0.27 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3koy h MET 392 Cb 0.06 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3koy h MET 392 CO -0.12 0.40 0.06 0.93 1.06 0.00 0.00 176.91 179.23 3koy h GLU 393 N 0.63 0.27 -0.44 1.72 5.08 -0.11 -2.06 114.58 119.67 3koy h GLU 393 Ca 0.29 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3koy h GLU 393 Cb 0.20 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3koy h GLU 393 CO -0.19 0.38 0.19 1.49 -1.00 0.00 0.00 179.01 179.88 3koy h GLU 394 N 0.10 0.61 -0.87 2.33 4.81 -1.02 0.42 114.58 120.96 3koy h GLU 394 Ca 0.06 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3koy h GLU 394 Cb 0.22 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3koy h GLU 394 CO -0.00 0.49 0.58 0.82 -0.73 0.00 0.00 179.01 180.17 3koy h ILE 395 N 0.61 1.21 -0.12 2.32 2.04 -0.96 -2.18 117.51 120.45 3koy h ILE 395 Ca 0.15 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 3koy h ILE 395 Cb 0.09 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3koy h ILE 395 CO -0.02 0.21 -0.32 0.40 0.00 0.00 0.00 178.15 178.42 3koy h ILE 396 N 1.17 1.38 0.00 -0.67 2.04 -0.60 -1.71 117.51 119.12 3koy h ILE 396 Ca 0.32 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.55 3koy h ILE 396 Cb -0.12 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3koy h ILE 396 CO -0.07 0.48 0.00 -0.08 0.00 0.00 0.00 178.15 178.48 3koy h GLU 397 N 0.01 0.00 -0.71 2.37 4.81 -0.72 -1.56 114.58 118.77 3koy h GLU 397 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3koy h GLU 397 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3koy h GLU 397 CO 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.35 3koy n ALA 398 N -2.04 2.37 0.00 2.92 0.00 -0.84 -4.93 120.51 117.99 3koy n ALA 398 Ca -0.02 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.14 3koy n ALA 398 Cb 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3koy n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3koy n GLY 399 N 1.61 0.74 0.00 0.00 0.00 -0.59 -4.61 105.19 102.34 3koy n GLY 399 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3koy n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 400 N -1.97 0.50 0.39 -0.02 0.00 -0.65 -4.71 105.19 98.73 3koy n GLY 400 Ca 0.00 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 3koy n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3koy h TYR 401 N 0.00 -0.87 -0.54 1.61 3.20 -1.95 -2.73 116.97 115.68 3koy h TYR 401 Ca 0.00 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.95 3koy h TYR 401 Cb 0.00 0.29 -0.11 0.00 1.54 0.00 0.00 36.73 38.45 3koy h TYR 401 CO 0.00 -0.54 -0.30 0.74 -1.64 0.00 0.00 178.16 176.42 3koy h PHE 402 N -1.25 -0.81 -0.88 -3.82 0.04 -1.96 0.95 116.94 109.21 3koy h PHE 402 Ca -0.10 0.07 0.17 0.00 2.80 0.00 0.00 57.97 60.90 3koy h PHE 402 Cb 0.72 0.44 -0.10 0.00 2.20 0.00 0.00 35.95 39.21 3koy h PHE 402 CO 0.00 -0.36 0.45 -0.91 -0.60 0.00 0.00 178.31 176.89 3koy h ASN 403 N -0.16 0.53 -0.34 2.17 2.35 -1.84 0.71 115.58 119.00 3koy h ASN 403 Ca 0.23 0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.95 3koy h ASN 403 Cb 0.53 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3koy h ASN 403 CO -0.64 0.19 -0.26 0.00 -1.65 0.00 0.00 177.43 175.07 3koy h ALA 404 N 1.60 0.78 -0.40 -0.83 0.00 -0.55 -1.89 119.26 117.97 3koy h ALA 404 Ca 0.50 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3koy h ALA 404 Cb 0.76 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3koy h ALA 404 CO -0.40 0.65 -0.06 0.28 0.00 0.00 0.00 179.25 179.73 3koy h VAL 405 N 0.72 1.27 -0.29 0.00 2.07 -0.53 -2.13 116.25 117.36 3koy h VAL 405 Ca 0.09 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.57 3koy h VAL 405 Cb 0.80 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3koy h VAL 405 CO 0.07 0.38 0.34 -0.33 0.02 0.00 0.00 177.57 178.04 3koy h GLU 406 N 0.56 0.00 -0.32 1.57 5.08 -0.57 -2.42 114.58 118.48 3koy h GLU 406 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3koy h GLU 406 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3koy h GLU 406 CO 0.03 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.08 3koy n GLN 407 N -3.69 2.43 -1.45 2.33 6.02 -0.74 -4.67 117.38 117.61 3koy n GLN 407 Ca 0.04 -2.20 -0.04 0.00 -0.01 0.00 0.00 57.00 54.80 3koy n GLN 407 Cb 0.49 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 3koy n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3koy n GLY 408 N 1.43 0.53 0.35 1.08 0.00 -0.91 -4.91 105.19 102.76 3koy n GLY 408 Ca 0.18 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.48 3koy n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3koy h PHE 409 N 0.00 0.49 -2.93 1.61 -1.00 -1.64 -3.39 116.94 110.08 3koy h PHE 409 Ca -0.09 0.01 -0.52 0.00 2.81 0.00 0.00 57.97 60.18 3koy h PHE 409 Cb 0.55 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 3koy h PHE 409 CO 0.12 0.24 -0.26 -0.06 -1.61 0.00 0.00 178.31 176.74 3koy s PHE 410 N -5.44 3.48 -0.37 -0.55 0.08 -1.26 -4.28 117.98 109.63 3koy s PHE 410 Ca -0.08 0.42 0.00 0.00 0.12 0.00 0.00 56.93 57.39 3koy s PHE 410 Cb 0.19 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 3koy s PHE 410 CO 0.75 0.29 0.00 0.28 -0.10 0.00 0.00 175.22 176.44 3koy n VAL 411 N -0.88 0.00 -2.52 -0.44 0.31 -1.26 -1.59 118.33 111.95 3koy n VAL 411 Ca -0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.88 3koy n VAL 411 Cb 0.54 -0.91 -0.04 0.00 -0.91 0.00 0.00 33.84 32.53 3koy n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3koy s ASP 412 N -2.20 7.22 0.00 4.52 3.68 -1.26 -4.24 116.67 124.39 3koy s ASP 412 Ca 0.00 2.00 0.07 0.00 2.13 0.00 0.00 52.55 56.75 3koy s ASP 412 Cb 0.00 -2.59 0.39 0.00 -1.45 0.00 0.00 42.92 39.27 3koy s ASP 412 CO 0.00 -0.30 0.88 -1.54 0.13 0.00 0.00 175.17 174.34 3koy n SER 413 N 3.10 0.00 -4.92 -0.34 3.41 -1.26 -4.82 113.62 108.79 3koy n SER 413 Ca 0.05 -0.88 -0.26 0.00 -0.26 0.00 0.00 58.87 57.52 3koy n SER 413 Cb 0.47 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.45 3koy n SER 413 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3koy s GLY 414 N -1.66 1.62 -0.68 5.00 0.00 -1.26 -4.77 107.32 105.57 3koy s GLY 414 Ca 0.10 -0.76 -0.13 0.00 0.00 0.00 0.00 44.72 43.93 3koy s GLY 414 CO 0.08 -0.47 0.61 -0.47 0.00 0.00 0.00 173.10 172.84 3koy s TYR 415 N -3.00 3.54 0.15 1.90 5.04 -1.25 -4.71 117.35 119.02 3koy s TYR 415 Ca 0.55 -1.86 -0.34 0.00 -2.44 0.00 0.00 57.07 52.98 3koy s TYR 415 Cb -0.11 -3.71 -0.16 0.00 0.35 0.00 0.00 41.96 38.34 3koy s TYR 415 CO 0.45 -0.98 1.30 0.98 -1.34 0.00 0.00 175.55 175.95 3koy n TYR 416 N 4.40 1.59 1.63 4.97 9.36 -1.26 -1.15 117.16 136.70 3koy n TYR 416 Ca 0.03 0.59 0.07 0.00 3.32 0.00 0.00 57.90 61.90 3koy n TYR 416 Cb 0.43 -2.35 0.30 0.00 -0.63 0.00 0.00 39.34 37.10 3koy n TYR 416 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 3koy n PRO 417 N 2.23 1.30 -1.95 2.98 -0.02 -1.26 -4.90 135.00 133.38 3koy n PRO 417 Ca 0.16 -0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 60.76 3koy n PRO 417 Cb 0.24 -1.24 -0.02 0.00 -0.02 0.00 0.00 33.50 32.47 3koy n PRO 417 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3koy s GLU 418 N -1.87 4.23 -0.18 -0.52 2.12 -0.30 -5.01 118.70 117.17 3koy s GLU 418 Ca 0.21 2.38 -0.02 0.00 0.36 0.00 0.00 54.97 57.90 3koy s GLU 418 Cb 0.10 -3.06 0.05 0.00 0.26 0.00 0.00 34.13 31.49 3koy s GLU 418 CO 0.16 -0.43 0.00 0.50 -0.54 0.00 0.00 175.26 174.96 3koy s ARG 419 N -1.04 0.93 0.32 4.30 3.52 -1.26 -3.76 118.95 121.96 3koy s ARG 419 Ca 0.56 -0.45 0.21 0.00 -0.13 0.00 0.00 55.73 55.92 3koy s ARG 419 Cb -0.43 -2.02 0.17 0.00 -1.56 0.00 0.00 34.95 31.10 3koy s ARG 419 CO 0.50 -0.55 1.38 -0.91 -0.81 0.00 0.00 175.30 174.91 3koy h ASN 420 N 8.19 0.00 -0.51 -2.12 2.35 -1.93 -3.48 115.58 118.08 3koy h ASN 420 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 3koy h ASN 420 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 3koy h ASN 420 CO 0.35 0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.89 3koy n GLY 421 N 1.17 0.94 0.45 2.83 0.00 -1.26 -4.96 105.19 104.36 3koy n GLY 421 Ca 0.02 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.54 3koy n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3koy n ASP 422 N 1.14 0.39 -4.48 1.61 5.75 -1.26 -5.08 116.55 114.62 3koy n ASP 422 Ca 0.00 -2.18 -0.29 0.00 -0.01 0.00 0.00 54.79 52.31 3koy n ASP 422 Cb 0.35 -0.24 0.14 0.00 -1.03 0.00 0.00 41.12 40.34 3koy n ASP 422 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3koy s GLY 423 N -1.32 1.71 -0.22 6.12 0.00 -1.26 -4.65 107.32 107.69 3koy s GLY 423 Ca 0.06 -1.01 -0.20 0.00 0.00 0.00 0.00 44.72 43.57 3koy s GLY 423 CO 0.00 -0.37 0.60 -0.42 0.00 0.00 0.00 173.10 172.91 3koy s ILE 424 N -3.70 5.02 -0.23 0.90 -1.09 -0.62 -4.87 121.20 116.61 3koy s ILE 424 Ca 0.68 1.10 -0.10 0.00 -2.23 0.00 0.00 60.65 60.11 3koy s ILE 424 Cb -0.07 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 3koy s ILE 424 CO 0.51 0.09 0.14 0.00 -1.23 0.00 0.00 174.94 174.44 3koy s ALA 425 N 2.12 3.58 0.08 9.38 0.00 -1.26 -4.36 121.76 131.29 3koy s ALA 425 Ca 0.26 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.43 3koy s ALA 425 Cb -0.16 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 3koy s ALA 425 CO 0.09 -0.10 -0.06 1.03 0.00 0.00 0.00 175.76 176.73 3koy s ARG 426 N 0.87 2.34 -0.12 0.00 1.81 -1.23 -5.02 118.95 117.61 3koy s ARG 426 Ca 0.07 -0.91 -0.10 0.00 -1.72 0.00 0.00 55.73 53.08 3koy s ARG 426 Cb -0.13 -2.42 -0.05 0.00 -0.45 0.00 0.00 34.95 31.91 3koy s ARG 426 CO 0.03 0.54 0.20 -0.65 -0.68 0.00 0.00 175.30 174.74 3koy s GLN 427 N -2.09 3.76 0.27 3.54 -0.21 -1.26 -3.69 119.66 119.98 3koy s GLN 427 Ca 0.22 -0.03 -0.04 0.00 0.02 0.00 0.00 55.36 55.54 3koy s GLN 427 Cb -0.11 -3.27 0.36 0.00 1.00 0.00 0.00 33.01 30.99 3koy s GLN 427 CO 0.14 0.61 1.94 0.97 -2.12 0.00 0.00 175.29 176.83 3koy h ILE 428 N 4.14 1.21 -0.08 1.08 2.10 -1.99 -0.27 117.51 123.71 3koy h ILE 428 Ca -0.50 -0.43 0.00 0.00 1.08 0.00 0.00 64.86 65.01 3koy h ILE 428 Cb 1.21 -0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 3koy h ILE 428 CO 0.64 0.23 0.00 -0.46 -1.08 0.00 0.00 178.15 177.48 3koy n ASN 429 N -4.41 2.04 -4.66 2.19 6.94 -1.26 -4.50 115.26 111.60 3koy n ASN 429 Ca 0.12 -1.69 -0.21 0.00 -0.02 0.00 0.00 54.58 52.78 3koy n ASN 429 Cb 0.05 -0.04 0.03 0.00 -2.36 0.00 0.00 39.78 37.47 3koy n ASN 429 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3koy n GLY 430 N 1.23 2.34 0.00 4.83 0.00 -0.11 -4.63 105.19 108.85 3koy n GLY 430 Ca 0.17 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3koy n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 431 N -1.31 0.81 3.67 -0.02 0.00 -1.26 -4.26 105.19 102.82 3koy n GLY 431 Ca 0.07 -1.76 -0.47 0.00 0.00 0.00 0.00 46.02 43.86 3koy n GLY 431 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3koy n ILE 432 N 0.83 0.29 -0.58 -0.61 2.08 -0.44 -0.97 119.36 119.96 3koy n ILE 432 Ca 0.00 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.26 3koy n ILE 432 Cb 0.00 -1.70 0.00 0.00 -0.75 0.00 0.00 39.64 37.19 3koy n ILE 432 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3koy n GLY 433 N 3.89 0.68 3.76 7.39 0.00 -1.26 -0.70 105.19 118.95 3koy n GLY 433 Ca 0.20 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3koy n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy s ALA 434 N -2.00 3.66 -1.05 4.61 0.00 -0.15 -2.83 121.76 124.00 3koy s ALA 434 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3koy s ALA 434 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3koy s ALA 434 CO 0.00 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.27 3koy n GLY 435 N 1.72 0.14 1.74 0.00 0.00 -1.26 -4.90 105.19 102.63 3koy n GLY 435 Ca 0.06 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 3koy n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3koy n THR 436 N -3.76 2.52 -3.91 2.61 -2.24 -1.13 -4.99 114.28 103.38 3koy n THR 436 Ca -0.14 -3.93 -0.35 0.00 -2.27 0.00 0.00 64.05 57.36 3koy n THR 436 Cb 0.57 -0.94 -0.14 0.00 -2.10 0.00 0.00 70.33 67.71 3koy n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3koy s VAL 437 N -4.31 3.22 -0.11 2.28 1.01 -1.26 -5.02 120.40 116.21 3koy s VAL 437 Ca 0.49 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 3koy s VAL 437 Cb 0.41 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3koy s VAL 437 CO 0.02 0.28 -0.01 -0.36 0.00 0.00 0.00 175.10 175.03 3koy s PHE 438 N 1.41 3.12 0.04 5.22 0.08 -1.26 -5.10 117.98 121.50 3koy s PHE 438 Ca 0.03 0.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.84 3koy s PHE 438 Cb -0.16 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 3koy s PHE 438 CO -0.03 0.31 0.97 -2.00 -0.10 0.00 0.00 175.22 174.38 3koy s GLU 439 N -0.47 4.61 0.08 0.44 2.12 -1.26 -5.00 118.70 119.22 3koy s GLU 439 Ca 0.08 1.43 -0.31 0.00 0.36 0.00 0.00 54.97 56.54 3koy s GLU 439 Cb -0.12 -3.43 -0.08 0.00 0.26 0.00 0.00 34.13 30.76 3koy s GLU 439 CO 0.02 0.04 1.52 1.03 -0.54 0.00 0.00 175.26 177.33 3koy s ARG 440 N 0.66 4.25 0.61 4.30 0.52 -1.26 -5.00 118.95 123.03 3koy s ARG 440 Ca 0.50 2.20 -0.09 0.00 -0.52 0.00 0.00 55.73 57.82 3koy s ARG 440 Cb -0.22 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.79 3koy s ARG 440 CO 0.29 -0.61 0.98 -0.51 0.02 0.00 0.00 175.30 175.46 3koy s ASP 441 N 1.78 5.98 0.46 0.23 1.01 -1.26 -4.93 116.67 119.93 3koy s ASP 441 Ca 0.69 1.16 0.20 0.00 0.71 0.00 0.00 52.55 55.31 3koy s ASP 441 Cb -0.38 -2.20 1.19 0.00 1.01 0.00 0.00 42.92 42.54 3koy s ASP 441 CO 0.30 -0.94 1.91 -0.08 0.21 0.00 0.00 175.17 176.57 3koy h GLU 442 N -0.26 0.27 -0.47 8.23 4.22 -2.03 0.16 114.58 124.70 3koy h GLU 442 Ca -0.45 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.97 3koy h GLU 442 Cb 1.22 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3koy h GLU 442 CO 0.62 0.18 0.00 -0.40 -2.18 0.00 0.00 179.01 177.23 3koy n ASP 443 N -4.44 4.65 -4.65 1.04 5.75 -1.26 -4.81 116.55 112.83 3koy n ASP 443 Ca 0.16 -2.75 -0.39 0.00 -0.01 0.00 0.00 54.79 51.79 3koy n ASP 443 Cb 0.66 -0.57 0.03 0.00 -1.03 0.00 0.00 41.12 40.21 3koy n ASP 443 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3koy n TYR 444 N 0.38 1.35 -3.64 2.11 9.36 0.55 -4.86 117.16 122.41 3koy n TYR 444 Ca 0.24 0.48 -0.15 0.00 3.32 0.00 0.00 57.90 61.79 3koy n TYR 444 Cb 0.95 -2.24 -0.07 0.00 -0.63 0.00 0.00 39.34 37.36 3koy n TYR 444 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 3koy s MET 445 N -2.45 0.90 -0.16 2.98 -2.45 -1.26 -1.60 119.30 115.26 3koy s MET 445 Ca 0.69 -0.12 -0.04 0.00 -1.25 0.00 0.00 55.69 54.97 3koy s MET 445 Cb -0.47 0.41 0.07 0.00 1.25 0.00 0.00 34.83 36.08 3koy s MET 445 CO 0.52 -0.29 0.14 0.00 1.05 0.00 0.00 175.02 176.44 3koy s ALA 446 N -1.76 0.11 -0.15 4.11 0.00 -1.26 -4.96 121.76 117.84 3koy s ALA 446 Ca -0.09 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 3koy s ALA 446 Cb -0.02 -1.06 0.04 0.00 0.00 0.00 0.00 23.12 22.08 3koy s ALA 446 CO 0.03 -1.04 2.32 -0.35 0.00 0.00 0.00 175.76 176.73 3koy n PRO 447 N 5.30 1.54 -4.18 0.00 -0.05 -1.26 -4.86 135.00 131.49 3koy n PRO 447 Ca -0.06 -0.88 -0.12 0.00 -0.05 0.00 0.00 63.50 62.39 3koy n PRO 447 Cb 0.49 -1.46 -0.09 0.00 -0.05 0.00 0.00 33.50 32.39 3koy n PRO 447 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3koy s VAL 448 N -0.81 0.00 0.42 0.52 -7.23 -1.25 -4.15 120.40 107.90 3koy s VAL 448 Ca 0.26 -1.92 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 3koy s VAL 448 Cb 0.16 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.55 3koy s VAL 448 CO -0.02 0.00 1.06 -0.89 -0.31 0.00 0.00 175.10 174.93 3koy s THR 449 N -4.07 3.69 -0.89 5.32 2.01 -1.26 -4.23 115.64 116.21 3koy s THR 449 Ca 0.37 1.26 -0.00 0.00 0.31 0.00 0.00 61.69 63.62 3koy s THR 449 Cb 0.06 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 3koy s THR 449 CO 0.13 -0.03 0.75 0.00 -0.69 0.00 0.00 174.62 174.78 3koy n ALA 450 N -0.23 -1.58 -2.78 7.40 0.00 -1.26 -5.03 120.51 117.04 3koy n ALA 450 Ca 0.06 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 3koy n ALA 450 Cb 0.50 -2.22 -0.09 0.00 0.00 0.00 0.00 19.45 17.64 3koy n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3koy s HIS 451 N -3.27 3.25 -0.15 0.00 5.04 -1.26 -4.42 115.29 114.48 3koy s HIS 451 Ca 0.04 0.19 -0.19 0.00 -1.54 0.00 0.00 55.06 53.56 3koy s HIS 451 Cb -0.00 -1.90 -0.16 0.00 0.04 0.00 0.00 32.58 30.55 3koy s HIS 451 CO 0.55 0.40 0.36 0.35 -2.34 0.00 0.00 174.74 174.06 3koy h PHE 452 N 5.63 0.00 -3.67 3.88 3.57 -1.91 -3.49 116.94 120.96 3koy h PHE 452 Ca -0.46 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.73 3koy h PHE 452 Cb 1.19 0.00 0.10 0.00 2.79 0.00 0.00 35.95 40.04 3koy h PHE 452 CO 0.63 0.78 0.24 0.41 -2.23 0.00 0.00 178.31 178.13 3koy n GLY 453 N 1.61 -0.86 3.56 2.40 0.00 -1.26 -4.95 105.19 105.69 3koy n GLY 453 Ca -0.13 -1.78 -0.61 0.00 0.00 0.00 0.00 46.02 43.51 3koy n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3koy n TYR 454 N -3.04 0.95 -3.48 1.61 9.36 -1.26 -4.96 117.16 116.33 3koy n TYR 454 Ca 0.11 1.05 -0.20 0.00 3.32 0.00 0.00 57.90 62.18 3koy n TYR 454 Cb 0.40 -2.14 -0.13 0.00 -0.63 0.00 0.00 39.34 36.84 3koy n TYR 454 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3koy s ASN 455 N 0.72 1.82 -1.23 2.98 3.84 -1.26 -4.79 114.94 117.02 3koy s ASN 455 Ca 0.94 -0.53 -0.15 0.00 0.21 0.00 0.00 52.86 53.34 3koy s ASN 455 Cb -1.30 0.27 0.15 0.00 -0.55 0.00 0.00 41.25 39.82 3koy s ASN 455 CO 0.62 -0.36 1.51 -3.20 -2.79 0.00 0.00 177.10 172.88 3koy n ASN 456 N 5.30 5.16 0.06 -4.21 5.15 -0.63 -4.66 115.26 121.43 3koy n ASN 456 Ca -0.05 -2.97 -0.16 0.00 -0.60 0.00 0.00 54.58 50.80 3koy n ASN 456 Cb 0.48 -1.61 -0.14 0.00 -0.53 0.00 0.00 39.78 37.98 3koy n ASN 456 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3koy h VAL 457 N 4.83 1.14 0.00 3.44 2.07 -1.92 -3.34 116.25 122.46 3koy h VAL 457 Ca 0.35 -2.80 0.00 0.00 0.82 0.00 0.00 66.70 65.07 3koy h VAL 457 Cb 0.87 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3koy h VAL 457 CO 1.30 0.81 0.08 1.17 0.02 0.00 0.00 177.57 180.94 3koy n LYS 458 N -3.43 0.05 0.09 1.57 4.81 -1.26 0.17 118.16 120.16 3koy n LYS 458 Ca -0.16 0.51 -0.11 0.00 -0.87 0.00 0.00 58.31 57.67 3koy n LYS 458 Cb 1.04 -1.75 -0.08 0.00 0.02 0.00 0.00 35.03 34.26 3koy n LYS 458 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 3koy h GLN 459 N 0.00 0.20 0.00 1.64 3.07 -1.97 -3.31 115.11 114.74 3koy h GLN 459 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 58.65 58.46 3koy h GLN 459 Cb 0.15 0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.81 3koy h GLN 459 CO 0.00 1.07 -1.47 0.66 0.09 0.00 0.00 178.83 179.18 3koy n TYR 460 N -3.55 0.44 0.00 0.06 4.01 0.13 -4.93 117.16 113.31 3koy n TYR 460 Ca -0.05 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 3koy n TYR 460 Cb 0.92 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 3koy n TYR 460 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3koy n ASP 461 N -2.39 0.00 -0.26 7.72 -0.08 -0.54 -5.04 116.55 115.95 3koy n ASP 461 Ca -0.02 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.31 3koy n ASP 461 Cb 0.54 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.16 3koy n ASP 461 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3koy h GLU 462 N 0.00 0.09 0.00 -0.67 3.07 -1.80 -2.40 114.58 112.87 3koy h GLU 462 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3koy h GLU 462 Cb 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3koy h GLU 462 CO 0.00 0.06 0.00 0.00 -1.40 0.00 0.00 179.01 177.67 3koy h ALA 463 N 1.72 1.00 -0.19 3.43 0.00 -1.94 -2.93 119.26 120.34 3koy h ALA 463 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3koy h ALA 463 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3koy h ALA 463 CO -0.68 0.00 0.00 1.28 0.00 0.00 0.00 179.25 179.85 3koy n LEU 464 N -2.60 2.46 -0.22 0.00 4.32 -0.90 -4.49 117.00 115.57 3koy n LEU 464 Ca 0.01 -0.97 0.13 0.00 -0.02 0.00 0.00 56.01 55.15 3koy n LEU 464 Cb 0.21 -0.12 0.43 0.00 -1.62 0.00 0.00 43.42 42.32 3koy n LEU 464 CO 0.21 0.49 1.22 0.58 -1.22 0.00 0.00 177.39 178.66 3koy h VAL 465 N 3.41 0.83 -0.00 4.08 2.07 -1.65 -0.55 116.25 124.43 3koy h VAL 465 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3koy h VAL 465 Cb 0.74 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3koy h VAL 465 CO 0.00 0.11 -0.21 -1.54 0.02 0.00 0.00 177.57 175.95 3koy n SER 466 N -4.52 0.60 -2.94 0.57 3.41 -1.26 -4.09 113.62 105.38 3koy n SER 466 Ca 0.16 -0.52 -0.17 0.00 -0.26 0.00 0.00 58.87 58.07 3koy n SER 466 Cb 0.48 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 3koy n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3koy n GLU 467 N -1.00 1.50 0.04 4.33 -0.58 -0.27 -4.95 120.64 119.72 3koy n GLU 467 Ca 0.12 -3.62 0.01 0.00 -0.42 0.00 0.00 57.16 53.25 3koy n GLU 467 Cb 0.31 -1.68 0.07 0.00 -0.57 0.00 0.00 31.44 29.57 3koy n GLU 467 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3koy n PRO 468 N 0.05 0.02 0.14 3.49 -0.02 -0.89 -0.08 135.00 137.71 3koy n PRO 468 Ca 0.22 0.30 0.01 0.00 -2.02 0.00 0.00 63.50 62.01 3koy n PRO 468 Cb 0.67 -1.87 0.12 0.00 -0.02 0.00 0.00 33.50 32.40 3koy n PRO 468 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3koy h SER 469 N 0.00 0.00 -1.00 2.55 4.64 -1.74 -3.28 113.55 114.73 3koy h SER 469 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3koy h SER 469 Cb 0.63 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.65 3koy h SER 469 CO 0.00 0.58 0.64 0.11 -0.87 0.00 0.00 176.83 177.28 3koy h LYS 470 N 0.00 1.07 -1.11 4.77 1.57 -0.79 -1.77 116.57 120.31 3koy h LYS 470 Ca -0.01 -0.06 0.32 0.00 -1.87 0.00 0.00 60.65 59.03 3koy h LYS 470 Cb 1.27 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 3koy h LYS 470 CO 0.07 0.71 1.12 1.28 -0.57 0.00 0.00 179.45 182.06 3koy n LEU 471 N -4.55 0.00 -0.58 2.94 4.77 -1.24 0.16 117.00 118.50 3koy n LEU 471 Ca 0.16 0.71 0.06 0.00 -0.03 0.00 0.00 56.01 56.92 3koy n LEU 471 Cb 0.24 -0.28 0.13 0.00 -2.33 0.00 0.00 43.42 41.18 3koy n LEU 471 CO 0.30 -0.71 0.36 2.30 -1.33 0.00 0.00 177.39 178.31 3koy n ILE 472 N -3.16 1.48 -4.00 -0.08 -5.35 -0.73 -5.00 119.36 102.53 3koy n ILE 472 Ca 0.25 -2.19 -0.28 0.00 -0.27 0.00 0.00 62.75 60.26 3koy n ILE 472 Cb 1.45 0.06 -0.01 0.00 -1.74 0.00 0.00 39.64 39.39 3koy n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3koy n ASP 473 N -0.81 -1.44 0.00 7.28 8.00 0.42 -4.75 116.55 125.25 3koy n ASP 473 Ca 0.14 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.66 3koy n ASP 473 Cb 0.75 -3.13 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 3koy n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3koy n GLY 474 N -1.80 0.63 4.03 0.44 0.00 -0.83 -4.92 105.19 102.74 3koy n GLY 474 Ca -0.19 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.22 3koy n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy h THR 476 N 0.09 0.18 0.00 0.00 1.35 -1.92 1.53 112.91 114.14 3koy h THR 476 Ca -0.30 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.46 3koy h THR 476 Cb 1.29 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 3koy h THR 476 CO 0.40 0.00 -0.44 -0.07 -0.25 0.00 0.00 175.52 175.17 3koy h LEU 477 N 0.00 0.00 0.04 3.87 3.38 -1.97 -3.20 115.31 117.43 3koy h LEU 477 Ca 0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.62 3koy h LEU 477 Cb 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3koy h LEU 477 CO -0.00 0.44 -2.11 -0.62 0.09 0.00 0.00 178.44 176.23 3koy n GLU 478 N -3.48 0.66 -3.96 1.13 4.71 0.17 -4.84 120.64 115.04 3koy n GLU 478 Ca 0.00 0.29 -0.31 0.00 -0.01 0.00 0.00 57.16 57.13 3koy n GLU 478 Cb 0.57 -1.62 -0.14 0.00 -1.01 0.00 0.00 31.44 29.24 3koy n GLU 478 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3koy s VAL 479 N -2.50 2.57 -0.73 2.62 1.01 0.47 -4.95 120.40 118.89 3koy s VAL 479 Ca -0.30 -2.92 0.19 0.00 0.00 0.00 0.00 61.98 58.94 3koy s VAL 479 Cb 0.09 -2.81 0.19 0.00 0.00 0.00 0.00 36.38 33.84 3koy s VAL 479 CO 0.63 -0.73 1.59 -2.65 0.00 0.00 0.00 175.10 173.94 3koy n PRO 480 N 3.57 0.10 0.14 2.72 -0.02 -1.21 -2.48 135.00 137.83 3koy n PRO 480 Ca 0.05 0.34 0.05 0.00 -2.02 0.00 0.00 63.50 61.92 3koy n PRO 480 Cb 0.36 -1.69 0.04 0.00 -0.02 0.00 0.00 33.50 32.19 3koy n PRO 480 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3koy h GLU 481 N 0.00 0.00 0.00 -0.52 3.07 -1.93 -3.04 114.58 112.17 3koy h GLU 481 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3koy h GLU 481 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3koy h GLU 481 CO 0.00 0.30 0.00 1.63 -1.40 0.00 0.00 179.01 179.54 3koy n LYS 482 N -3.08 0.07 -2.59 2.33 5.02 -1.03 -4.76 118.16 114.11 3koy n LYS 482 Ca 0.00 0.27 -0.40 0.00 -2.02 0.00 0.00 58.31 56.16 3koy n LYS 482 Cb 0.68 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 3koy n LYS 482 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3koy s ILE 483 N -2.68 3.86 -0.41 -0.18 1.01 -1.15 -4.93 121.20 116.72 3koy s ILE 483 Ca 0.05 1.76 -0.17 0.00 0.00 0.00 0.00 60.65 62.29 3koy s ILE 483 Cb 0.04 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.41 3koy s ILE 483 CO 0.10 0.37 0.45 -0.69 0.00 0.00 0.00 174.94 175.17 3koy s VAL 484 N -0.80 5.07 0.16 2.92 1.01 -1.26 -5.06 120.40 122.44 3koy s VAL 484 Ca 0.45 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 3koy s VAL 484 Cb -0.29 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 3koy s VAL 484 CO 0.36 -0.40 0.72 -0.47 0.00 0.00 0.00 175.10 175.31 3koy s TYR 485 N 2.20 3.82 -0.07 5.22 5.04 -1.26 -5.08 117.35 127.21 3koy s TYR 485 Ca 0.13 1.50 0.01 0.00 -2.44 0.00 0.00 57.07 56.27 3koy s TYR 485 Cb -0.17 -2.67 0.02 0.00 0.35 0.00 0.00 41.96 39.49 3koy s TYR 485 CO 0.14 0.48 -0.09 0.42 -1.34 0.00 0.00 175.55 175.16 3koy s ILE 486 N -1.24 0.94 -0.10 3.14 1.09 -1.26 -5.09 121.20 118.69 3koy s ILE 486 Ca 0.36 -0.34 -0.02 0.00 -1.10 0.00 0.00 60.65 59.56 3koy s ILE 486 Cb -0.21 -0.91 -0.01 0.00 -1.06 0.00 0.00 42.46 40.28 3koy s ILE 486 CO 0.23 0.32 -0.04 -0.78 -0.10 0.00 0.00 174.94 174.58 3koy h ASP 487 N 7.30 0.00 -5.14 3.58 3.58 -1.98 -3.39 116.42 120.38 3koy h ASP 487 Ca -0.32 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.03 3koy h ASP 487 Cb 1.17 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.06 3koy h ASP 487 CO 0.45 0.50 -0.43 -1.61 -2.88 0.00 0.00 179.24 175.27 3koy s GLU 488 N -1.64 0.75 0.00 0.28 0.41 -1.26 -3.72 118.70 113.52 3koy s GLU 488 Ca -0.03 -0.89 0.00 0.00 -0.41 0.00 0.00 54.97 53.64 3koy s GLU 488 Cb 0.00 0.30 0.00 0.00 -1.78 0.00 0.00 34.13 32.65 3koy s GLU 488 CO 0.05 -0.22 0.00 1.28 -0.49 0.00 0.00 175.26 175.88 3koy n LEU 489 N 0.24 0.08 -4.79 1.80 4.77 -1.26 -4.95 117.00 112.87 3koy n LEU 489 Ca -0.16 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.51 3koy n LEU 489 Cb 0.61 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.77 3koy n LEU 489 CO 0.23 -0.12 0.71 -0.62 -1.33 0.00 0.00 177.39 176.25 3koy s ASP 490 N -4.95 4.98 0.00 -1.43 -1.08 -1.26 -4.98 116.67 107.94 3koy s ASP 490 Ca 0.00 1.72 0.00 0.00 -0.52 0.00 0.00 52.55 53.75 3koy s ASP 490 Cb 0.00 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 3koy s ASP 490 CO 0.00 -1.72 0.38 -0.62 0.52 0.00 0.00 175.17 173.73 3koy n GLU 491 N -3.28 -0.67 -0.00 4.34 4.71 -1.26 -4.63 120.64 119.84 3koy n GLU 491 Ca 0.08 -0.39 0.00 0.00 -0.01 0.00 0.00 57.16 56.85 3koy n GLU 491 Cb 0.53 -0.87 -0.01 0.00 -1.01 0.00 0.00 31.44 30.09 3koy n GLU 491 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3koy n ASN 492 N -0.01 4.73 -3.13 1.62 4.13 -1.26 -4.78 115.26 116.56 3koy n ASN 492 Ca 0.00 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.89 3koy n ASN 492 Cb 0.07 0.92 -0.00 0.00 -1.54 0.00 0.00 39.78 39.23 3koy n ASN 492 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3koy n ASP 493 N -1.67 7.35 -4.27 6.41 2.03 -1.26 -4.78 116.55 120.35 3koy n ASP 493 Ca -0.01 -3.48 -0.15 0.00 0.52 0.00 0.00 54.79 51.67 3koy n ASP 493 Cb 0.16 -1.20 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 3koy n ASP 493 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3koy s ASN 494 N -0.45 1.09 0.22 1.67 2.20 -1.26 -3.30 114.94 115.11 3koy s ASN 494 Ca 0.51 -1.30 -0.09 0.00 -0.94 0.00 0.00 52.86 51.04 3koy s ASN 494 Cb 0.30 0.17 0.22 0.00 -2.00 0.00 0.00 41.25 39.94 3koy s ASN 494 CO -0.22 -0.68 1.87 1.62 -2.94 0.00 0.00 177.10 176.75 3koy h VAL 495 N 2.53 1.13 -0.21 3.54 3.04 -1.92 -2.41 116.25 121.96 3koy h VAL 495 Ca -0.37 -0.34 0.05 0.00 -1.01 0.00 0.00 66.70 65.03 3koy h VAL 495 Cb 1.23 0.06 -0.07 0.00 -2.01 0.00 0.00 31.29 30.50 3koy h VAL 495 CO 0.61 0.18 -0.47 0.78 -1.01 0.00 0.00 177.57 177.66 3koy h ASN 496 N 0.98 -1.49 0.04 3.17 2.35 -1.96 -1.25 115.58 117.42 3koy h ASN 496 Ca 0.31 0.20 0.02 0.00 -0.55 0.00 0.00 56.30 56.27 3koy h ASN 496 Cb -0.00 0.61 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 3koy h ASN 496 CO -0.11 -0.43 -0.52 0.58 -1.65 0.00 0.00 177.43 175.30 3koy h VAL 497 N -0.48 0.02 -0.59 2.81 2.07 -1.82 -2.63 116.25 115.63 3koy h VAL 497 Ca 0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.77 3koy h VAL 497 Cb 0.64 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3koy h VAL 497 CO -0.46 0.00 0.59 0.03 0.02 0.00 0.00 177.57 177.75 3koy h ARG 498 N -0.69 0.00 0.00 1.57 3.08 -0.82 -0.08 114.38 117.44 3koy h ARG 498 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3koy h ARG 498 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3koy h ARG 498 CO -0.33 0.00 -1.69 -1.33 -1.07 0.00 0.00 179.97 175.55 3koy n MET 499 N -3.74 0.64 0.18 0.04 2.81 -0.56 -3.37 117.12 113.13 3koy n MET 499 Ca 0.12 -0.06 0.05 0.00 -1.81 0.00 0.00 57.70 55.99 3koy n MET 499 Cb 0.81 -1.63 0.32 0.00 -0.71 0.00 0.00 33.22 32.01 3koy n MET 499 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3koy h GLU 500 N 0.00 0.00 0.00 0.03 4.22 -0.72 -3.02 114.58 115.09 3koy h GLU 500 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.39 3koy h GLU 500 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3koy h GLU 500 CO 0.01 0.40 0.12 1.49 -2.18 0.00 0.00 179.01 178.85 3koy h GLU 501 N 0.00 0.00 -0.09 1.92 4.81 -1.37 -3.10 114.58 116.75 3koy h GLU 501 Ca -0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 3koy h GLU 501 Cb 0.92 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.03 3koy h GLU 501 CO 0.05 0.00 -0.67 0.25 -0.73 0.00 0.00 179.01 177.91 3koy n THR 502 N -2.41 0.27 -0.11 0.32 -2.24 -1.18 -4.85 114.28 104.08 3koy n THR 502 Ca -0.02 -1.12 0.27 0.00 -2.27 0.00 0.00 64.05 60.91 3koy n THR 502 Cb 0.16 0.92 0.71 0.00 -2.10 0.00 0.00 70.33 70.02 3koy n THR 502 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3koy h LYS 503 N 1.05 0.00 -1.00 -0.78 1.57 -1.45 -2.26 116.57 113.70 3koy h LYS 503 Ca -0.36 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 58.64 3koy h LYS 503 Cb 1.49 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.69 3koy h LYS 503 CO -0.06 0.00 0.60 1.05 -0.57 0.00 0.00 179.45 180.48 3koy h GLU 504 N 0.00 0.65 -0.66 3.15 4.11 -1.88 -1.81 114.58 118.14 3koy h GLU 504 Ca 0.37 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.76 3koy h GLU 504 Cb 1.72 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.82 3koy h GLU 504 CO -0.00 0.43 0.00 1.19 0.07 0.00 0.00 179.01 180.70 3koy n PHE 505 N -4.82 1.33 -2.74 2.06 3.01 -0.85 -2.68 117.46 112.77 3koy n PHE 505 Ca 0.25 -0.55 0.00 0.00 1.01 0.00 0.00 57.45 58.17 3koy n PHE 505 Cb 0.66 -0.20 0.05 0.00 -0.01 0.00 0.00 39.48 39.99 3koy n PHE 505 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3koy n ARG 506 N 1.14 1.35 -0.62 -1.08 0.63 -0.68 -4.73 116.66 112.67 3koy n ARG 506 Ca 0.24 -2.92 0.05 0.00 -0.92 0.00 0.00 57.85 54.30 3koy n ARG 506 Cb 0.80 -1.05 0.09 0.00 0.45 0.00 0.00 32.46 32.76 3koy n ARG 506 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3koy n SER 509 N -0.50 1.30 -1.52 6.15 2.88 -1.09 -4.98 113.62 115.85 3koy n SER 509 Ca 0.03 -2.77 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 3koy n SER 509 Cb 0.87 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3koy n SER 509 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 3koy n MET 510 N -0.57 1.45 -3.62 -1.46 2.81 -1.26 -4.25 117.12 110.21 3koy n MET 510 Ca 0.10 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.88 3koy n MET 510 Cb 0.78 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.22 3koy n MET 510 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3koy s ILE 511 N 1.13 0.00 0.23 2.02 2.07 -1.00 -4.86 121.20 120.79 3koy s ILE 511 Ca 0.00 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.17 3koy s ILE 511 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 3koy s ILE 511 CO 0.00 0.00 0.32 -1.59 -1.91 0.00 0.00 174.94 171.76 3koy s LYS 512 N 0.03 1.40 0.57 3.50 -2.85 -1.26 -2.84 119.74 118.28 3koy s LYS 512 Ca 0.00 -1.44 -0.19 0.00 -1.00 0.00 0.00 55.97 53.34 3koy s LYS 512 Cb -0.04 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 3koy s LYS 512 CO -0.02 -0.53 1.16 -2.14 0.10 0.00 0.00 175.35 173.92 3koy s PRO 513 N -4.06 3.17 0.10 1.78 0.02 -1.26 -4.65 135.00 130.10 3koy s PRO 513 Ca 0.30 1.67 -0.01 0.00 0.02 0.00 0.00 61.00 62.99 3koy s PRO 513 Cb 0.03 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3koy s PRO 513 CO 0.11 -1.01 0.01 -1.83 -0.33 0.00 0.00 177.00 173.95 3koy s GLU 514 N -3.36 0.82 -0.00 5.54 -1.05 -1.26 0.50 118.70 119.89 3koy s GLU 514 Ca 0.74 -1.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 3koy s GLU 514 Cb -0.26 0.17 -0.00 0.00 -0.44 0.00 0.00 34.13 33.60 3koy s GLU 514 CO 0.30 -0.18 0.00 1.33 0.95 0.00 0.00 175.26 177.66 3koy n VAL 515 N -0.03 0.02 0.00 1.83 0.24 -1.26 -4.79 118.33 114.34 3koy n VAL 515 Ca -0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3koy n VAL 515 Cb 0.63 -0.99 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 3koy n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3koy n GLU 516 N -2.01 0.00 -4.14 7.34 0.28 -1.26 -0.92 120.64 119.94 3koy n GLU 516 Ca -0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.68 3koy n GLU 516 Cb 0.51 -0.07 -0.08 0.00 1.43 0.00 0.00 31.44 33.23 3koy n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3koy s TRP 517 N -1.90 3.13 0.02 -1.84 0.51 -1.26 -4.69 118.94 112.91 3koy s TRP 517 Ca 0.00 0.07 -0.36 0.00 -2.12 0.00 0.00 56.10 53.69 3koy s TRP 517 Cb 0.00 -1.63 -0.15 0.00 -0.81 0.00 0.00 33.47 30.87 3koy s TRP 517 CO 0.00 0.50 1.52 0.94 -0.51 0.00 0.00 176.95 179.40 3koy n GLN 518 N 0.85 1.49 -2.39 4.98 7.27 -1.26 -0.44 117.38 127.89 3koy n GLN 518 Ca -0.11 0.54 -0.19 0.00 0.07 0.00 0.00 57.00 57.31 3koy n GLN 518 Cb 0.52 -2.24 -0.01 0.00 2.41 0.00 0.00 30.24 30.92 3koy n GLN 518 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3koy n ALA 519 N 3.64 -0.65 0.49 1.69 0.00 -1.26 -4.83 120.51 119.58 3koy n ALA 519 Ca 0.20 0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.86 3koy n ALA 519 Cb 0.21 -2.02 0.29 0.00 0.00 0.00 0.00 19.45 17.94 3koy n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3koy n ASP 520 N -1.94 0.00 0.00 0.00 5.68 0.42 -4.85 116.55 115.86 3koy n ASP 520 Ca -0.22 0.43 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 3koy n ASP 520 Cb 0.67 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3koy n ASP 520 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3koy n GLY 521 N -0.14 0.53 3.78 6.12 0.00 0.18 -4.81 105.19 110.85 3koy n GLY 521 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3koy n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3koy s THR 522 N -2.36 3.68 0.11 2.61 2.01 -1.24 -0.26 115.64 120.18 3koy s THR 522 Ca 0.00 1.38 -0.16 0.00 0.31 0.00 0.00 61.69 63.21 3koy s THR 522 Cb 0.00 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.79 3koy s THR 522 CO 0.00 0.10 0.40 0.68 -0.69 0.00 0.00 174.62 175.11 3koy s VAL 523 N -1.54 0.07 -0.14 3.82 -7.23 -0.69 -3.97 120.40 110.72 3koy s VAL 523 Ca 0.54 -0.56 -0.03 0.00 -1.81 0.00 0.00 61.98 60.13 3koy s VAL 523 Cb -0.24 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 3koy s VAL 523 CO 0.31 -0.31 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.51 3koy s LEU 524 N -2.66 3.18 -0.18 1.32 2.96 -1.26 -2.64 118.68 119.40 3koy s LEU 524 Ca 0.02 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3koy s LEU 524 Cb 0.01 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3koy s LEU 524 CO -0.10 0.20 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.75 3koy s LEU 525 N 0.16 2.36 -0.15 -0.68 2.96 0.66 -4.97 118.68 119.02 3koy s LEU 525 Ca -0.02 -0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 53.34 3koy s LEU 525 Cb -0.14 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3koy s LEU 525 CO 0.03 0.03 -0.14 0.42 -1.32 0.00 0.00 176.35 175.37 3koy s THR 526 N 1.15 2.87 0.12 3.68 -4.23 -1.26 0.31 115.64 118.28 3koy s THR 526 Ca 0.01 -0.71 -0.09 0.00 -1.18 0.00 0.00 61.69 59.72 3koy s THR 526 Cb -0.14 -2.21 -0.00 0.00 1.34 0.00 0.00 72.50 71.48 3koy s THR 526 CO -0.07 0.51 0.24 0.00 -0.54 0.00 0.00 174.62 174.77 3koy s MET 527 N 0.64 0.97 -0.03 3.99 0.00 -0.11 -5.02 119.30 119.74 3koy s MET 527 Ca -0.07 -1.01 0.07 0.00 0.00 0.00 0.00 55.69 54.67 3koy s MET 527 Cb -0.16 0.37 -0.02 0.00 0.00 0.00 0.00 34.83 35.02 3koy s MET 527 CO 0.03 -0.33 -0.23 0.12 0.00 0.00 0.00 175.02 174.60 3koy s PHE 528 N -3.89 2.44 -0.05 3.16 5.36 -1.26 -0.68 117.98 123.05 3koy s PHE 528 Ca 0.09 -0.37 0.01 0.00 -0.96 0.00 0.00 56.93 55.70 3koy s PHE 528 Cb 0.04 -1.54 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 3koy s PHE 528 CO -0.07 0.02 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.14 3koy s LEU 529 N -0.62 1.35 0.00 6.12 1.43 -0.87 -4.95 118.68 121.14 3koy s LEU 529 Ca 0.10 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 3koy s LEU 529 Cb -0.10 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.62 3koy s LEU 529 CO -0.00 -0.05 0.35 -2.65 0.23 0.00 0.00 176.35 174.22 3koy n PRO 530 N 4.06 0.18 -4.11 1.29 -0.02 -1.26 -0.54 135.00 134.60 3koy n PRO 530 Ca -0.24 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.09 3koy n PRO 530 Cb 0.51 -1.41 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 3koy n PRO 530 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3koy s THR 531 N 1.60 0.00 0.87 3.45 -1.32 -1.26 -4.46 115.64 114.52 3koy s THR 531 Ca 0.00 -1.65 -0.14 0.00 -1.21 0.00 0.00 61.69 58.69 3koy s THR 531 Cb 0.00 -2.60 -0.00 0.00 -1.51 0.00 0.00 72.50 68.38 3koy s THR 531 CO 0.00 0.00 0.37 -1.54 -2.21 0.00 0.00 174.62 171.24 3koy n SER 532 N -1.35 -2.02 -0.22 8.08 3.41 -1.25 -3.66 113.62 116.61 3koy n SER 532 Ca 0.02 0.42 -0.09 0.00 -0.26 0.00 0.00 58.87 58.96 3koy n SER 532 Cb 0.62 -1.18 0.03 0.00 -0.26 0.00 0.00 64.21 63.42 3koy n SER 532 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3koy h LYS 533 N -1.08 1.04 0.70 4.33 2.10 -1.90 -2.09 116.57 119.68 3koy h LYS 533 Ca -0.44 -0.30 -0.03 0.00 -2.00 0.00 0.00 60.65 57.88 3koy h LYS 533 Cb 1.31 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 32.53 3koy h LYS 533 CO 0.37 0.99 -0.34 -0.09 -2.00 0.00 0.00 179.45 178.37 3koy h ARG 534 N 0.95 -0.91 -0.61 0.07 2.43 -1.99 -1.42 114.38 112.90 3koy h ARG 534 Ca 0.18 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.51 3koy h ARG 534 Cb 0.47 0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 30.12 3koy h ARG 534 CO 0.02 -0.59 -0.42 0.28 -1.51 0.00 0.00 179.97 177.74 3koy h VAL 535 N -1.22 0.09 0.00 0.20 2.07 -1.93 0.64 116.25 116.10 3koy h VAL 535 Ca -0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3koy h VAL 535 Cb 0.74 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3koy h VAL 535 CO 0.16 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.65 3koy h ALA 536 N 0.71 1.38 -0.65 1.67 0.00 -1.35 0.89 119.26 121.91 3koy h ALA 536 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3koy h ALA 536 Cb 0.56 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3koy h ALA 536 CO -0.71 0.13 0.29 1.49 0.00 0.00 0.00 179.25 180.45 3koy h GLU 537 N 0.00 0.94 0.10 0.00 4.81 0.28 0.92 114.58 121.62 3koy h GLU 537 Ca -0.00 -0.15 -0.26 0.00 -0.13 0.00 0.00 59.36 58.82 3koy h GLU 537 Cb 0.27 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.49 3koy h GLU 537 CO 0.01 0.76 -1.16 0.74 -0.73 0.00 0.00 179.01 178.64 3koy h PHE 538 N 0.90 0.61 -0.59 0.92 0.04 -0.82 -3.12 116.94 114.88 3koy h PHE 538 Ca 0.22 -0.40 0.09 0.00 2.80 0.00 0.00 57.97 60.68 3koy h PHE 538 Cb 0.15 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.18 3koy h PHE 538 CO 0.01 1.27 0.20 0.00 -0.60 0.00 0.00 178.31 179.19 3koy h ALA 539 N 0.58 0.74 -0.32 2.45 0.00 -0.70 -2.84 119.26 119.18 3koy h ALA 539 Ca -0.13 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3koy h ALA 539 Cb 1.85 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3koy h ALA 539 CO 0.20 -0.22 0.14 0.00 0.00 0.00 0.00 179.25 179.37 3koy h ALA 540 N 1.42 0.41 -0.74 0.00 0.00 -0.83 -2.40 119.26 117.11 3koy h ALA 540 Ca 0.30 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.24 3koy h ALA 540 Cb 0.38 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3koy h ALA 540 CO -0.31 -0.01 0.49 0.82 0.00 0.00 0.00 179.25 180.24 3koy h ILE 541 N 0.37 0.81 0.30 0.00 2.04 -1.46 -0.32 117.51 119.26 3koy h ILE 541 Ca 0.11 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3koy h ILE 541 Cb 0.15 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3koy h ILE 541 CO -0.01 0.08 -0.15 -0.33 0.00 0.00 0.00 178.15 177.74 3koy h GLU 542 N 0.42 -0.39 -0.96 2.37 4.39 -1.21 -2.07 114.58 117.12 3koy h GLU 542 Ca 0.36 0.03 0.24 0.00 0.34 0.00 0.00 59.36 60.32 3koy h GLU 542 Cb 0.81 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.48 3koy h GLU 542 CO -0.11 -0.05 0.64 0.74 -1.16 0.00 0.00 179.01 179.06 3koy h PHE 543 N -0.85 0.52 0.01 4.33 0.04 -1.02 0.50 116.94 120.46 3koy h PHE 543 Ca -0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 3koy h PHE 543 Cb 0.52 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.51 3koy h PHE 543 CO 0.04 0.10 -0.01 0.00 -0.60 0.00 0.00 178.31 177.84 3koy h ALA 544 N 1.60 -0.02 -0.44 2.45 0.00 -0.90 -0.96 119.26 120.99 3koy h ALA 544 Ca 0.51 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3koy h ALA 544 Cb 1.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3koy h ALA 544 CO -0.20 -0.39 0.10 0.87 0.00 0.00 0.00 179.25 179.64 3koy h LYS 545 N -0.25 0.71 0.00 0.00 1.57 -0.71 -1.28 116.57 116.60 3koy h LYS 545 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3koy h LYS 545 Cb 0.24 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3koy h LYS 545 CO 0.00 0.71 0.03 1.63 -0.57 0.00 0.00 179.45 181.26 3koy n LYS 546 N -4.51 0.00 -0.58 3.15 4.76 0.11 0.57 118.16 121.64 3koy n LYS 546 Ca 0.00 0.43 0.08 0.00 -2.87 0.00 0.00 58.31 55.96 3koy n LYS 546 Cb 0.22 -1.53 0.32 0.00 -1.84 0.00 0.00 35.03 32.20 3koy n LYS 546 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3koy n MET 547 N -1.43 3.70 -1.30 1.97 2.81 -0.38 -4.95 117.12 117.55 3koy n MET 547 Ca 0.00 -2.84 -0.08 0.00 -1.81 0.00 0.00 57.70 52.96 3koy n MET 547 Cb 0.03 -1.88 -0.03 0.00 -0.71 0.00 0.00 33.22 30.62 3koy n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3koy n ASN 548 N 0.62 -3.96 -4.86 7.83 3.02 0.19 -5.02 115.26 113.09 3koy n ASN 548 Ca 0.24 0.20 -0.35 0.00 -0.03 0.00 0.00 54.58 54.64 3koy n ASN 548 Cb 0.90 -2.26 -0.05 0.00 -0.61 0.00 0.00 39.78 37.76 3koy n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3koy s LEU 549 N -1.95 4.35 0.22 3.41 1.43 -0.98 -4.38 118.68 120.78 3koy s LEU 549 Ca 0.00 0.84 0.08 0.00 -1.03 0.00 0.00 54.13 54.02 3koy s LEU 549 Cb 0.00 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 3koy s LEU 549 CO 0.00 0.16 0.02 -1.61 0.23 0.00 0.00 176.35 175.15 3koy s GLU 550 N -1.92 2.43 -1.50 1.70 2.02 0.96 -4.31 118.70 118.08 3koy s GLU 550 Ca 0.34 -1.22 -0.10 0.00 0.02 0.00 0.00 54.97 54.01 3koy s GLU 550 Cb -0.14 -2.31 0.07 0.00 0.10 0.00 0.00 34.13 31.85 3koy s GLU 550 CO 0.18 0.41 0.83 0.39 0.02 0.00 0.00 175.26 177.10 3koy n GLU 551 N -0.55 -4.79 -2.23 1.61 1.02 -1.26 0.11 120.64 114.55 3koy n GLU 551 Ca -0.08 0.55 -0.41 0.00 -0.02 0.00 0.00 57.16 57.19 3koy n GLU 551 Cb 0.57 -5.25 -0.03 0.00 -0.02 0.00 0.00 31.44 26.71 3koy n GLU 551 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3koy s VAL 552 N -3.46 3.25 -0.14 2.62 1.01 -1.26 -4.45 120.40 117.97 3koy s VAL 552 Ca 0.46 1.02 -0.19 0.00 0.00 0.00 0.00 61.98 63.27 3koy s VAL 552 Cb -0.24 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.54 3koy s VAL 552 CO 0.85 0.15 0.49 -1.83 0.00 0.00 0.00 175.10 174.76 3koy s GLU 553 N -0.05 0.66 -0.10 2.72 -1.05 -0.59 -5.02 118.70 115.26 3koy s GLU 553 Ca 0.57 0.48 -0.30 0.00 -0.15 0.00 0.00 54.97 55.58 3koy s GLU 553 Cb -0.36 0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 33.62 3koy s GLU 553 CO 0.38 -0.12 1.22 0.08 0.95 0.00 0.00 175.26 177.76 3koy s VAL 554 N -0.20 4.28 -0.44 1.83 1.01 -1.26 -1.22 120.40 124.39 3koy s VAL 554 Ca -0.04 1.58 0.09 0.00 0.00 0.00 0.00 61.98 63.62 3koy s VAL 554 Cb -0.03 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 3koy s VAL 554 CO 0.03 -0.06 0.40 2.30 0.00 0.00 0.00 175.10 177.77 3koy n ILE 555 N 4.93 0.00 -3.63 2.22 -5.35 -0.12 -4.94 119.36 112.47 3koy n ILE 555 Ca 0.12 -0.27 -0.15 0.00 -0.27 0.00 0.00 62.75 62.18 3koy n ILE 555 Cb 0.46 0.99 -0.07 0.00 -1.74 0.00 0.00 39.64 39.27 3koy n ILE 555 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3koy s ASN 556 N -1.91 -0.66 -0.21 7.28 2.47 -1.17 -4.80 114.94 115.93 3koy s ASN 556 Ca 0.03 1.15 -0.04 0.00 0.42 0.00 0.00 52.86 54.43 3koy s ASN 556 Cb 0.07 1.13 0.10 0.00 -1.45 0.00 0.00 41.25 41.10 3koy s ASN 556 CO 0.39 -0.32 0.24 0.00 -3.72 0.00 0.00 177.10 173.69 3koy s ARG 557 N -0.05 0.21 -0.04 0.43 1.04 -1.26 -1.24 118.95 118.03 3koy s ARG 557 Ca -0.03 0.23 0.05 0.00 -1.04 0.00 0.00 55.73 54.94 3koy s ARG 557 Cb -0.04 -1.13 -0.02 0.00 -2.04 0.00 0.00 34.95 31.72 3koy s ARG 557 CO 0.03 -0.66 -0.20 -1.21 -0.04 0.00 0.00 175.30 173.22 3koy s GLU 558 N 2.35 2.40 0.19 3.89 2.02 -0.74 -4.99 118.70 123.82 3koy s GLU 558 Ca 0.08 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 3koy s GLU 558 Cb -0.16 -2.24 -0.08 0.00 0.10 0.00 0.00 34.13 31.76 3koy s GLU 558 CO -0.13 0.55 1.05 0.08 0.02 0.00 0.00 175.26 176.83 3koy s VAL 559 N -0.56 3.96 -0.22 2.63 1.01 -1.26 0.28 120.40 126.24 3koy s VAL 559 Ca 0.08 1.74 -0.18 0.00 0.00 0.00 0.00 61.98 63.62 3koy s VAL 559 Cb -0.11 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 3koy s VAL 559 CO 0.01 0.32 -0.01 0.23 0.00 0.00 0.00 175.10 175.65 3koy n MET 560 N 2.20 0.56 -3.62 2.72 0.00 -1.09 -4.84 117.12 113.05 3koy n MET 560 Ca 0.02 0.47 -0.16 0.00 0.00 0.00 0.00 57.70 58.03 3koy n MET 560 Cb 0.47 -1.66 -0.07 0.00 0.00 0.00 0.00 33.22 31.95 3koy n MET 560 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 3koy s GLN 561 N -2.41 0.87 0.19 0.03 -0.44 -1.18 -5.00 119.66 111.72 3koy s GLN 561 Ca -0.30 0.33 -0.16 0.00 -2.50 0.00 0.00 55.36 52.73 3koy s GLN 561 Cb 0.08 0.41 0.17 0.00 -1.64 0.00 0.00 33.01 32.03 3koy s GLN 561 CO 0.51 -0.23 1.63 1.49 0.50 0.00 0.00 175.29 179.20 3koy h GLU 562 N 3.82 -0.05 0.14 1.67 4.81 -1.94 -2.82 114.58 120.21 3koy h GLU 562 Ca -0.28 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.66 3koy h GLU 562 Cb 1.16 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.55 3koy h GLU 562 CO 0.32 -0.03 -1.35 0.00 -0.73 0.00 0.00 179.01 177.21 3koy h ALA 563 N 1.41 0.11 0.00 2.92 0.00 -1.97 -3.33 119.26 118.40 3koy h ALA 563 Ca 0.25 -0.95 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 3koy h ALA 563 Cb 0.44 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3koy h ALA 563 CO -0.57 0.99 -0.88 0.93 0.00 0.00 0.00 179.25 179.71 3koy h GLU 564 N 0.08 0.00 0.00 0.00 4.39 -1.80 -3.39 114.58 113.86 3koy h GLU 564 Ca -0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3koy h GLU 564 Cb 2.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 3koy h GLU 564 CO 0.20 0.81 0.00 0.41 -1.16 0.00 0.00 179.01 179.27 3koy n GLY 565 N 1.32 1.37 3.06 -3.84 0.00 -1.14 -4.16 105.19 101.81 3koy n GLY 565 Ca -0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 3koy n GLY 565 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3koy s THR 566 N -2.00 -0.03 0.01 2.61 2.01 0.30 -2.66 115.64 115.88 3koy s THR 566 Ca 0.00 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 3koy s THR 566 Cb 0.00 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 3koy s THR 566 CO 0.00 0.05 0.97 -0.60 -0.69 0.00 0.00 174.62 174.35 3koy s ARG 567 N 1.11 4.57 -0.04 4.92 3.52 0.14 -2.05 118.95 131.13 3koy s ARG 567 Ca -0.08 1.41 0.02 0.00 -0.13 0.00 0.00 55.73 56.95 3koy s ARG 567 Cb -0.09 -3.45 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 3koy s ARG 567 CO -0.07 -0.02 -0.08 0.42 -0.81 0.00 0.00 175.30 174.74 3koy s ILE 568 N 0.88 0.79 -0.02 4.11 -1.09 0.14 -1.80 121.20 124.22 3koy s ILE 568 Ca 0.51 -0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.68 3koy s ILE 568 Cb -0.21 -0.73 -0.02 0.00 -1.58 0.00 0.00 42.46 39.91 3koy s ILE 568 CO 0.28 0.26 -0.23 -1.61 -1.23 0.00 0.00 174.94 172.41 3koy s GLU 569 N 0.50 2.15 0.02 2.79 2.02 -0.37 -0.94 118.70 124.86 3koy s GLU 569 Ca -0.08 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.01 3koy s GLU 569 Cb -0.12 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 3koy s GLU 569 CO 0.01 0.57 -0.05 -0.51 0.02 0.00 0.00 175.26 175.30 3koy s LEU 570 N -0.75 2.13 0.03 1.80 1.02 0.15 -0.95 118.68 122.11 3koy s LEU 570 Ca 0.11 -0.31 0.02 0.00 0.02 0.00 0.00 54.13 53.97 3koy s LEU 570 Cb -0.10 -0.14 -0.04 0.00 0.02 0.00 0.00 46.19 45.93 3koy s LEU 570 CO -0.00 -0.10 0.04 -1.59 0.02 0.00 0.00 176.35 174.72 3koy s LYS 571 N -0.83 2.86 0.13 1.70 -2.85 -0.36 -0.25 119.74 120.14 3koy s LYS 571 Ca -0.05 -0.62 -0.16 0.00 -1.00 0.00 0.00 55.97 54.14 3koy s LYS 571 Cb -0.06 -2.72 0.03 0.00 -2.06 0.00 0.00 37.83 33.02 3koy s LYS 571 CO -0.00 0.61 0.40 0.20 0.10 0.00 0.00 175.35 176.66 3koy s GLY 572 N -1.89 -0.22 0.01 0.59 0.00 -1.08 -1.55 107.32 103.19 3koy s GLY 572 Ca 0.23 -0.11 -0.09 0.00 0.00 0.00 0.00 44.72 44.75 3koy s GLY 572 CO 0.15 -0.34 0.31 -1.60 0.00 0.00 0.00 173.10 171.63 3koy s ARG 573 N -3.82 3.67 -0.27 2.90 3.52 0.30 -1.71 118.95 123.54 3koy s ARG 573 Ca 0.04 0.07 -0.13 0.00 -0.13 0.00 0.00 55.73 55.58 3koy s ARG 573 Cb 0.02 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 3koy s ARG 573 CO -0.11 0.64 0.29 0.08 -0.81 0.00 0.00 175.30 175.40 3koy s VAL 574 N -1.26 5.24 -0.14 7.11 1.01 0.64 -0.03 120.40 132.97 3koy s VAL 574 Ca 0.27 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.65 3koy s VAL 574 Cb -0.14 -3.62 0.21 0.00 0.00 0.00 0.00 36.38 32.83 3koy s VAL 574 CO 0.15 0.20 1.29 -0.81 0.00 0.00 0.00 175.10 175.93 3koy n PRO 575 N 5.17 1.39 -3.56 2.72 -0.05 -1.26 -4.79 135.00 134.62 3koy n PRO 575 Ca -0.11 -0.95 -0.06 0.00 -0.05 0.00 0.00 63.50 62.33 3koy n PRO 575 Cb 0.51 -1.37 -0.02 0.00 -0.05 0.00 0.00 33.50 32.57 3koy n PRO 575 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 3koy s PHE 576 N -1.04 -0.22 0.00 0.54 -0.12 -1.26 -5.18 117.98 110.70 3koy s PHE 576 Ca 0.18 0.12 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 3koy s PHE 576 Cb 0.15 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 43.07 3koy s PHE 576 CO 0.03 -0.39 0.00 0.43 -0.05 0.00 0.00 175.22 175.24 3koy n SER 577 N -0.20 0.08 -3.64 1.98 7.64 -1.26 -4.90 113.62 113.32 3koy n SER 577 Ca -0.04 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.77 3koy n SER 577 Cb 0.60 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.73 3koy n SER 577 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3koy s ILE 578 N 2.59 0.00 -0.11 0.44 1.09 -1.13 -5.00 121.20 119.09 3koy s ILE 578 Ca 0.00 0.00 -0.18 0.00 -1.10 0.00 0.00 60.65 59.37 3koy s ILE 578 Cb 0.00 -1.00 -0.04 0.00 -1.06 0.00 0.00 42.46 40.36 3koy s ILE 578 CO 0.00 0.00 0.48 -0.62 -0.10 0.00 0.00 174.94 174.70 3koy s ASP 579 N 0.12 6.71 0.29 3.58 -1.08 -1.26 -2.37 116.67 122.66 3koy s ASP 579 Ca 0.05 0.84 -0.02 0.00 -0.52 0.00 0.00 52.55 52.90 3koy s ASP 579 Cb -0.05 -2.29 0.43 0.00 -1.46 0.00 0.00 42.92 39.55 3koy s ASP 579 CO -0.10 0.02 1.93 0.40 0.52 0.00 0.00 175.17 177.94 3koy h ILE 580 N 4.65 1.21 -0.68 4.11 1.08 -1.89 -2.78 117.51 123.21 3koy h ILE 580 Ca -0.42 -0.48 -0.06 0.00 -0.39 0.00 0.00 64.86 63.51 3koy h ILE 580 Cb 1.18 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 3koy h ILE 580 CO 0.75 0.23 0.18 0.78 -0.69 0.00 0.00 178.15 179.39 3koy h ASN 581 N 1.05 1.01 -0.44 1.72 2.35 -1.91 -2.68 115.58 116.68 3koy h ASN 581 Ca 0.27 -0.20 -0.21 0.00 -0.55 0.00 0.00 56.30 55.61 3koy h ASN 581 Cb -0.03 -0.27 -0.13 0.00 0.05 0.00 0.00 38.32 37.95 3koy h ASN 581 CO -0.05 0.97 0.27 -1.54 -1.65 0.00 0.00 177.43 175.43 3koy n SER 582 N -4.24 3.34 -4.58 5.81 3.41 -1.05 -4.83 113.62 111.47 3koy n SER 582 Ca 0.05 -2.71 -0.34 0.00 -0.26 0.00 0.00 58.87 55.61 3koy n SER 582 Cb 0.25 -0.65 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 3koy n SER 582 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3koy s LEU 583 N -1.51 3.43 -0.24 1.04 1.43 -1.01 -4.89 118.68 116.93 3koy s LEU 583 Ca 0.27 -0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.26 3koy s LEU 583 Cb 0.22 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 3koy s LEU 583 CO 0.05 0.24 0.14 -0.69 0.23 0.00 0.00 176.35 176.32 3koy s VAL 584 N -0.06 5.10 -0.20 -1.59 1.01 -1.26 -5.05 120.40 118.34 3koy s VAL 584 Ca 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 3koy s VAL 584 Cb -0.13 -3.38 0.08 0.00 0.00 0.00 0.00 36.38 32.96 3koy s VAL 584 CO 0.02 0.35 0.15 -0.63 0.00 0.00 0.00 175.10 174.99 3koy s ILE 585 N 1.16 -0.19 0.15 2.22 1.01 -1.26 -5.13 121.20 119.16 3koy s ILE 585 Ca 0.06 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.17 3koy s ILE 585 Cb -0.14 -0.68 -0.10 0.00 0.01 0.00 0.00 42.46 41.54 3koy s ILE 585 CO 0.05 -0.32 1.66 -2.84 0.00 0.00 0.00 174.94 173.49 3koy s PRO 586 N 2.22 4.18 0.00 2.79 0.02 -1.26 -5.31 135.00 137.63 3koy s PRO 586 Ca 0.05 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3koy s PRO 586 Cb -0.16 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.09 3koy s PRO 586 CO -0.15 -0.70 0.26 -2.30 -0.33 0.00 0.00 177.00 173.79 3koy n PRO 587 N 4.48 0.00 0.00 5.54 -0.02 -1.26 -5.35 135.00 138.39 3koy n PRO 587 Ca 0.15 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3koy n PRO 587 Cb 0.38 -0.76 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 3koy n PRO 587 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3koy n ILE 591 N -0.51 0.00 -2.70 4.25 -5.35 -1.26 -5.37 119.36 108.42 3koy n ILE 591 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 3koy n ILE 591 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 3koy n ILE 591 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3koy s LEU 592 N 0.00 3.75 0.99 7.28 2.96 -1.26 -5.01 118.68 127.39 3koy s LEU 592 Ca 0.00 -0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.72 3koy s LEU 592 Cb 0.00 -3.04 0.18 0.00 0.50 0.00 0.00 46.19 43.83 3koy s LEU 592 CO 0.00 -1.35 1.08 -0.94 -1.32 0.00 0.00 176.35 173.82 3koy s SER 593 N 2.86 2.66 0.15 3.68 1.04 -1.26 -4.86 113.70 117.97 3koy s SER 593 Ca 0.38 1.41 -0.18 0.00 0.48 0.00 0.00 55.95 58.04 3koy s SER 593 Cb -0.10 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 63.97 3koy s SER 593 CO 0.23 -3.14 1.73 1.05 0.98 0.00 0.00 173.24 174.09 3koy h GLU 594 N -1.89 0.16 0.00 4.02 9.09 -2.01 -2.82 114.58 121.13 3koy h GLU 594 Ca -0.53 -0.01 -0.09 0.00 0.05 0.00 0.00 59.36 58.77 3koy h GLU 594 Cb 1.31 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.36 3koy h GLU 594 CO 0.54 0.11 -0.45 -0.44 0.05 0.00 0.00 179.01 178.82 3koy h ASP 595 N 0.17 0.00 0.18 3.06 3.32 -2.00 -2.79 116.42 118.36 3koy h ASP 595 Ca 0.14 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 3koy h ASP 595 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3koy h ASP 595 CO -0.19 0.45 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.09 3koy h GLU 596 N 0.00 0.26 0.06 3.56 3.07 -1.86 -2.92 114.58 116.75 3koy h GLU 596 Ca -0.00 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 58.66 3koy h GLU 596 Cb 1.01 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.92 3koy h GLU 596 CO 0.06 0.60 -0.38 0.82 -1.40 0.00 0.00 179.01 178.70 3koy h ILE 597 N 0.22 1.65 -0.01 3.13 2.04 -1.34 -3.05 117.51 120.16 3koy h ILE 597 Ca 0.03 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.46 3koy h ILE 597 Cb 0.75 3.29 -0.00 0.00 -0.74 0.00 0.00 36.82 40.12 3koy h ILE 597 CO 0.06 0.65 0.01 -0.09 0.00 0.00 0.00 178.15 178.77 3koy h ARG 598 N -0.73 0.00 0.04 2.37 2.43 -1.58 -2.79 114.38 114.12 3koy h ARG 598 Ca -0.07 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.85 3koy h ARG 598 Cb 1.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 3koy h ARG 598 CO 0.06 0.00 -1.29 0.93 -1.51 0.00 0.00 179.97 178.16 3koy h GLU 599 N 0.00 0.08 -0.12 0.20 5.08 -1.59 -3.30 114.58 114.92 3koy h GLU 599 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3koy h GLU 599 Cb 0.01 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3koy h GLU 599 CO -0.00 0.93 0.07 0.22 -1.00 0.00 0.00 179.01 179.24 3koy h ASP 600 N 0.02 0.14 0.00 1.42 -0.00 -1.37 -2.78 116.42 113.85 3koy h ASP 600 Ca -0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.87 3koy h ASP 600 Cb 1.89 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 41.19 3koy h ASP 600 CO 0.13 0.12 0.00 -0.38 -0.00 0.00 0.00 179.24 179.11 3koy n ILE 601 N -4.99 1.45 0.07 2.25 5.41 -1.18 -1.79 119.36 120.57 3koy n ILE 601 Ca -0.05 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.40 3koy n ILE 601 Cb 0.04 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 3koy n ILE 601 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3koy n GLU 602 N 1.28 0.00 -0.15 0.38 2.13 -1.06 -4.49 120.64 118.73 3koy n GLU 602 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 3koy n GLU 602 Cb 0.42 -0.13 0.06 0.00 0.27 0.00 0.00 31.44 32.06 3koy n GLU 602 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3koy h LYS 603 N 0.00 0.29 -3.50 5.31 1.57 -1.46 -3.32 116.57 115.45 3koy h LYS 603 Ca 0.00 -0.02 -0.64 0.00 -1.87 0.00 0.00 60.65 58.13 3koy h LYS 603 Cb 0.12 -0.07 -0.41 0.00 0.08 0.00 0.00 32.23 31.95 3koy h LYS 603 CO 0.00 0.19 -0.67 0.99 -0.57 0.00 0.00 179.45 179.39 3koy s THR 604 N -6.14 2.24 0.37 -0.16 2.01 -0.74 -5.11 115.64 108.11 3koy s THR 604 Ca -0.13 -2.95 -0.25 0.00 0.31 0.00 0.00 61.69 58.66 3koy s THR 604 Cb 0.14 -2.58 -0.12 0.00 0.01 0.00 0.00 72.50 69.95 3koy s THR 604 CO 0.73 -0.78 0.91 -2.65 -0.69 0.00 0.00 174.62 172.13 3koy n PRO 605 N 3.43 1.17 -4.21 4.92 -0.02 -1.25 -4.17 135.00 134.86 3koy n PRO 605 Ca 0.05 0.42 -0.18 0.00 -2.02 0.00 0.00 63.50 61.77 3koy n PRO 605 Cb 0.34 -1.85 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 3koy n PRO 605 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3koy s LEU 606 N 0.31 2.23 0.03 2.45 2.96 -1.26 -4.99 118.68 120.41 3koy s LEU 606 Ca 0.62 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3koy s LEU 606 Cb -0.62 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 3koy s LEU 606 CO 0.58 -0.05 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.76 3koy s LYS 607 N -1.46 0.38 0.04 1.98 2.20 -1.26 -2.32 119.74 119.30 3koy s LYS 607 Ca -0.02 -0.66 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 3koy s LYS 607 Cb -0.09 -0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.20 3koy s LYS 607 CO 0.02 -0.02 -0.08 0.42 -0.36 0.00 0.00 175.35 175.33 3koy s ILE 608 N -1.45 0.57 -0.15 5.43 1.09 0.24 -2.77 121.20 124.16 3koy s ILE 608 Ca -0.14 -1.12 0.02 0.00 -1.10 0.00 0.00 60.65 58.31 3koy s ILE 608 Cb -0.10 -0.66 0.02 0.00 -1.06 0.00 0.00 42.46 40.66 3koy s ILE 608 CO -0.01 -0.39 -0.20 -0.69 -0.10 0.00 0.00 174.94 173.56 3koy s VAL 609 N -1.45 1.93 0.03 2.92 1.01 -0.76 -1.77 120.40 122.31 3koy s VAL 609 Ca -0.09 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.08 3koy s VAL 609 Cb -0.10 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3koy s VAL 609 CO 0.00 0.52 -0.20 0.00 0.00 0.00 0.00 175.10 175.42 3koy s ALA 610 N 1.07 1.73 0.12 5.51 0.00 -1.20 -1.18 121.76 127.80 3koy s ALA 610 Ca -0.02 -1.01 -0.23 0.00 0.00 0.00 0.00 51.96 50.71 3koy s ALA 610 Cb -0.14 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.68 3koy s ALA 610 CO -0.06 0.39 0.57 0.00 0.00 0.00 0.00 175.76 176.66 3koy s ALA 611 N -0.72 -1.49 -0.49 0.00 0.00 -0.67 -1.62 121.76 116.76 3koy s ALA 611 Ca 0.07 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 3koy s ALA 611 Cb -0.09 0.71 0.07 0.00 0.00 0.00 0.00 23.12 23.82 3koy s ALA 611 CO 0.01 -0.68 0.47 0.99 0.00 0.00 0.00 175.76 176.55 3koy s THR 612 N -3.33 5.13 0.31 0.00 2.01 -1.06 -2.35 115.64 116.35 3koy s THR 612 Ca -0.01 -0.95 -0.10 0.00 0.31 0.00 0.00 61.69 60.94 3koy s THR 612 Cb -0.00 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 3koy s THR 612 CO -0.09 -0.67 0.65 -0.69 -0.69 0.00 0.00 174.62 173.13 3koy s VAL 613 N 1.91 4.86 0.00 3.82 1.01 -1.15 -2.59 120.40 128.26 3koy s VAL 613 Ca 0.07 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3koy s VAL 613 Cb -0.23 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3koy s VAL 613 CO 0.08 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.52 3koy n GLY 614 N -0.66 -1.28 2.26 4.51 0.00 -0.90 -4.19 105.19 104.93 3koy n GLY 614 Ca 0.01 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 3koy n GLY 614 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3koy n GLU 615 N 0.00 2.53 -2.83 1.61 1.02 -1.26 -4.02 120.64 117.68 3koy n GLU 615 Ca 0.00 -3.01 -0.42 0.00 -0.02 0.00 0.00 57.16 53.70 3koy n GLU 615 Cb 0.00 -2.18 -0.04 0.00 -0.02 0.00 0.00 31.44 29.20 3koy n GLU 615 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3koy s ASP 616 N -1.50 6.74 0.02 1.62 3.68 -1.26 -4.84 116.67 121.13 3koy s ASP 616 Ca 0.59 0.74 0.25 0.00 2.13 0.00 0.00 52.55 56.26 3koy s ASP 616 Cb 0.47 -2.46 0.47 0.00 -1.45 0.00 0.00 42.92 39.95 3koy s ASP 616 CO -0.00 -0.75 1.39 -0.62 0.13 0.00 0.00 175.17 175.32 3koy n GLU 617 N 6.52 0.06 -2.11 4.34 -0.58 -1.26 -1.30 120.64 126.31 3koy n GLU 617 Ca 0.07 0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.39 3koy n GLU 617 Cb 0.48 -1.53 -0.03 0.00 -0.57 0.00 0.00 31.44 29.79 3koy n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3koy s HIS 618 N -3.04 2.09 -0.41 -0.32 3.76 -1.26 -4.83 115.29 111.27 3koy s HIS 618 Ca 0.10 0.56 0.12 0.00 -0.15 0.00 0.00 55.06 55.68 3koy s HIS 618 Cb 0.17 -4.01 -0.14 0.00 1.11 0.00 0.00 32.58 29.71 3koy s HIS 618 CO 0.71 -2.91 0.43 -1.13 -0.85 0.00 0.00 174.74 170.99 3koy n SER 619 N 8.62 0.97 0.17 1.40 3.41 -1.26 -4.77 113.62 122.16 3koy n SER 619 Ca 0.19 -0.58 -0.14 0.00 -0.26 0.00 0.00 58.87 58.08 3koy n SER 619 Cb 0.45 1.13 -0.07 0.00 -0.26 0.00 0.00 64.21 65.47 3koy n SER 619 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3koy h VAL 620 N 0.00 0.54 0.15 -3.33 2.07 -1.99 -2.27 116.25 111.42 3koy h VAL 620 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3koy h VAL 620 Cb 0.34 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3koy h VAL 620 CO 0.00 0.00 -0.07 1.23 0.02 0.00 0.00 177.57 178.75 3koy h GLY 621 N -0.49 -0.21 0.04 2.17 0.00 -1.99 0.21 103.07 102.81 3koy h GLY 621 Ca -0.01 0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.48 3koy h GLY 621 CO -0.02 -0.08 -0.15 -2.00 0.00 0.00 0.00 176.54 174.29 3koy h LEU 622 N -0.51 -0.53 -1.49 3.11 5.85 -1.89 0.13 115.31 119.98 3koy h LEU 622 Ca -0.02 0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3koy h LEU 622 Cb 0.40 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3koy h LEU 622 CO 0.03 -0.19 0.43 0.03 -0.34 0.00 0.00 178.44 178.41 3koy h ARG 623 N -0.05 0.60 -0.74 1.25 3.08 -1.17 -2.03 114.38 115.31 3koy h ARG 623 Ca 0.21 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.30 3koy h ARG 623 Cb 0.38 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 3koy h ARG 623 CO -0.48 0.39 0.49 0.93 -1.07 0.00 0.00 179.97 180.23 3koy h GLU 624 N 0.61 0.71 -0.32 0.04 4.39 0.22 -0.06 114.58 120.19 3koy h GLU 624 Ca 0.29 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3koy h GLU 624 Cb 0.33 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3koy h GLU 624 CO -0.09 0.47 0.00 1.33 -1.16 0.00 0.00 179.01 179.56 3koy n VAL 625 N -4.49 0.41 -0.05 3.13 0.24 -0.78 -4.47 118.33 112.33 3koy n VAL 625 Ca 0.11 -0.60 -0.10 0.00 -2.04 0.00 0.00 64.34 61.71 3koy n VAL 625 Cb 0.26 0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 33.31 3koy n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3koy n ILE 626 N 1.04 0.79 -1.61 1.34 5.41 -0.67 -1.13 119.36 124.54 3koy n ILE 626 Ca 0.18 -0.05 -0.48 0.00 1.00 0.00 0.00 62.75 63.40 3koy n ILE 626 Cb 0.50 -1.71 -0.04 0.00 -0.71 0.00 0.00 39.64 37.68 3koy n ILE 626 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3koy n ASP 627 N -3.60 1.78 0.22 4.38 8.00 -0.12 -2.32 116.55 124.88 3koy n ASP 627 Ca -0.19 1.14 0.08 0.00 0.71 0.00 0.00 54.79 56.53 3koy n ASP 627 Cb 0.55 -1.28 0.50 0.00 -0.02 0.00 0.00 41.12 40.88 3koy n ASP 627 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3koy h ILE 628 N 2.80 0.84 -0.72 0.53 2.10 -1.90 -2.75 117.51 118.41 3koy h ILE 628 Ca -0.44 -1.03 0.14 0.00 1.08 0.00 0.00 64.86 64.61 3koy h ILE 628 Cb 1.32 1.62 -0.14 0.00 -1.09 0.00 0.00 36.82 38.54 3koy h ILE 628 CO 0.72 0.25 -0.18 1.17 -1.08 0.00 0.00 178.15 179.04 3koy n LYS 629 N -3.72 -0.06 -1.32 2.19 3.00 -1.26 0.04 118.16 117.03 3koy n LYS 629 Ca -0.01 1.12 -0.18 0.00 -0.00 0.00 0.00 58.31 59.23 3koy n LYS 629 Cb 0.37 -1.67 0.12 0.00 0.00 0.00 0.00 35.03 33.85 3koy n LYS 629 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3koy n HIS 630 N -5.16 2.15 -3.19 5.64 8.25 -1.20 -4.93 115.22 116.78 3koy n HIS 630 Ca 0.12 -2.12 -0.15 0.00 -0.26 0.00 0.00 57.72 55.30 3koy n HIS 630 Cb 0.36 -0.68 0.07 0.00 1.12 0.00 0.00 29.99 30.86 3koy n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3koy n GLY 631 N -0.96 -0.18 3.91 -1.41 0.00 0.11 -4.33 105.19 102.33 3koy n GLY 631 Ca 0.44 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 3koy n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3koy s GLY 632 N -3.72 1.60 0.56 -0.02 0.00 -1.04 -2.56 107.32 102.13 3koy s GLY 632 Ca 0.18 -0.64 0.49 0.00 0.00 0.00 0.00 44.72 44.75 3koy s GLY 632 CO 0.56 -0.36 1.54 0.29 0.00 0.00 0.00 173.10 175.12 3koy n ILE 633 N -2.58 0.00 -0.16 0.90 -5.35 -0.29 0.78 119.36 112.66 3koy n ILE 633 Ca 0.04 1.47 -0.02 0.00 -0.27 0.00 0.00 62.75 63.98 3koy n ILE 633 Cb 0.57 -2.46 0.07 0.00 -1.74 0.00 0.00 39.64 36.08 3koy n ILE 633 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3koy h GLU 634 N 0.00 0.13 -1.04 6.28 4.81 -1.72 -1.09 114.58 121.95 3koy h GLU 634 Ca 0.92 -0.01 0.27 0.00 -0.13 0.00 0.00 59.36 60.42 3koy h GLU 634 Cb 3.74 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 33.02 3koy h GLU 634 CO -0.01 0.09 0.69 -0.22 -0.73 0.00 0.00 179.01 178.83 3koy h LYS 635 N 0.14 0.28 -0.02 1.92 3.64 0.15 -0.42 116.57 122.25 3koy h LYS 635 Ca 0.26 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3koy h LYS 635 Cb 0.39 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3koy h LYS 635 CO -0.41 0.18 0.00 0.66 -2.27 0.00 0.00 179.45 177.61 3koy n TYR 636 N -4.50 0.01 -0.94 1.91 4.01 -0.42 -4.90 117.16 112.33 3koy n TYR 636 Ca 0.24 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 3koy n TYR 636 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 3koy n TYR 636 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3koy n GLY 637 N 1.14 0.79 3.74 2.72 0.00 -0.17 -4.58 105.19 108.84 3koy n GLY 637 Ca 0.20 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 3koy n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3koy s VAL 638 N -2.00 4.14 -0.29 1.61 1.01 -1.18 -4.78 120.40 118.91 3koy s VAL 638 Ca 0.00 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 3koy s VAL 638 Cb 0.00 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.12 3koy s VAL 638 CO 0.00 0.41 1.13 -1.61 0.00 0.00 0.00 175.10 175.03 3koy s GLU 639 N -0.76 4.09 -0.17 2.72 2.02 -0.98 -4.66 118.70 120.96 3koy s GLU 639 Ca 0.44 1.21 -0.02 0.00 0.02 0.00 0.00 54.97 56.61 3koy s GLU 639 Cb -0.26 -3.75 -0.01 0.00 0.10 0.00 0.00 34.13 30.21 3koy s GLU 639 CO 0.32 -0.88 -0.08 0.08 0.02 0.00 0.00 175.26 174.73 3koy s VAL 640 N 3.69 3.32 -0.72 2.63 1.01 -1.26 0.83 120.40 129.90 3koy s VAL 640 Ca 0.48 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3koy s VAL 640 Cb -0.14 -2.45 0.18 0.00 0.00 0.00 0.00 36.38 33.96 3koy s VAL 640 CO 0.15 0.48 0.55 -1.00 0.00 0.00 0.00 175.10 175.28 3koy s HIS 641 N 0.80 3.57 0.48 5.22 3.76 -0.73 -4.99 115.29 123.41 3koy s HIS 641 Ca -0.03 -2.92 -0.22 0.00 -0.15 0.00 0.00 55.06 51.75 3koy s HIS 641 Cb -0.15 -3.14 -0.07 0.00 1.11 0.00 0.00 32.58 30.33 3koy s HIS 641 CO 0.01 -0.77 1.16 -0.47 -0.85 0.00 0.00 174.74 173.82 3koy s TYR 642 N -0.68 2.81 -0.18 1.40 5.04 -1.26 -3.23 117.35 121.26 3koy s TYR 642 Ca 0.21 1.54 0.04 0.00 -2.44 0.00 0.00 57.07 56.42 3koy s TYR 642 Cb -0.14 -3.36 -0.04 0.00 0.35 0.00 0.00 41.96 38.77 3koy s TYR 642 CO -0.08 -1.54 0.17 1.28 -1.34 0.00 0.00 175.55 174.04 3koy n LEU 643 N -0.71 0.21 0.00 6.97 4.77 -0.64 -4.94 117.00 122.65 3koy n LEU 643 Ca 0.08 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3koy n LEU 643 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3koy n LEU 643 CO 0.46 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3koy n GLY 644 N 1.06 -1.46 3.90 -0.72 0.00 -1.26 -4.87 105.19 101.83 3koy n GLY 644 Ca 0.01 -2.03 -0.22 0.00 0.00 0.00 0.00 46.02 43.78 3koy n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3koy s THR 645 N 0.00 2.31 0.00 2.61 -4.23 -1.26 -2.56 115.64 112.51 3koy s THR 645 Ca 0.00 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 3koy s THR 645 Cb 0.00 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3koy s THR 645 CO 0.00 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.88 3koy n SER 646 N -1.69 -1.69 -4.57 3.99 7.64 -0.42 -4.90 113.62 111.98 3koy n SER 646 Ca 0.04 0.00 -0.49 0.00 1.01 0.00 0.00 58.87 59.43 3koy n SER 646 Cb 0.62 -2.51 -0.04 0.00 -1.01 0.00 0.00 64.21 61.27 3koy n SER 646 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3koy n VAL 647 N -1.69 1.03 -2.70 0.44 0.31 -1.07 -4.58 118.33 110.06 3koy n VAL 647 Ca 0.00 -0.26 -0.29 0.00 -0.01 0.00 0.00 64.34 63.79 3koy n VAL 647 Cb 0.14 -0.80 -0.01 0.00 -0.91 0.00 0.00 33.84 32.26 3koy n VAL 647 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3koy s PRO 648 N -0.51 3.64 0.07 5.55 0.02 -1.26 -2.11 135.00 140.40 3koy s PRO 648 Ca 0.72 0.33 -0.09 0.00 0.02 0.00 0.00 61.00 61.98 3koy s PRO 648 Cb -0.85 -2.37 0.02 0.00 0.02 0.00 0.00 34.50 31.31 3koy s PRO 648 CO 0.53 -0.14 0.54 0.28 -0.33 0.00 0.00 177.00 177.88 3koy n VAL 649 N -1.86 -0.22 0.02 3.83 0.31 -1.26 -2.59 118.33 116.56 3koy n VAL 649 Ca 0.01 0.83 -0.22 0.00 -0.01 0.00 0.00 64.34 64.96 3koy n VAL 649 Cb 0.55 -1.06 -0.14 0.00 -0.91 0.00 0.00 33.84 32.28 3koy n VAL 649 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3koy h GLU 650 N 0.00 0.29 -0.92 5.55 4.81 -1.94 -3.20 114.58 119.16 3koy h GLU 650 Ca 0.08 -0.49 0.24 0.00 -0.13 0.00 0.00 59.36 59.06 3koy h GLU 650 Cb 0.17 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 3koy h GLU 650 CO -0.33 1.24 0.64 0.87 -0.73 0.00 0.00 179.01 180.69 3koy h LYS 651 N 0.03 0.18 -0.02 1.92 1.57 -1.89 2.09 116.57 120.45 3koy h LYS 651 Ca -0.40 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.27 3koy h LYS 651 Cb 2.02 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 34.30 3koy h LYS 651 CO 0.10 0.12 -0.39 1.25 -0.57 0.00 0.00 179.45 179.96 3koy h LEU 652 N 0.18 0.37 -0.08 2.94 5.85 -1.67 -2.47 115.31 120.43 3koy h LEU 652 Ca 0.46 -0.74 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3koy h LEU 652 Cb 1.52 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 3koy h LEU 652 CO -0.10 1.06 0.05 0.58 -0.34 0.00 0.00 178.44 179.69 3koy h VAL 653 N -0.29 1.09 -0.98 1.05 2.07 -0.15 -2.74 116.25 116.30 3koy h VAL 653 Ca -0.04 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.32 3koy h VAL 653 Cb 1.10 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 3koy h VAL 653 CO 0.08 0.08 0.62 0.44 0.02 0.00 0.00 177.57 178.80 3koy h ASP 654 N 0.04 0.96 0.45 0.57 3.32 0.30 -3.17 116.42 118.88 3koy h ASP 654 Ca 0.03 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3koy h ASP 654 Cb 0.08 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3koy h ASP 654 CO -0.00 0.57 -0.21 0.00 -1.72 0.00 0.00 179.24 177.87 3koy h ALA 655 N 1.49 -0.60 -0.99 3.45 0.00 -1.15 0.34 119.26 121.80 3koy h ALA 655 Ca 0.45 -0.15 0.34 0.00 0.00 0.00 0.00 54.91 55.56 3koy h ALA 655 Cb 0.31 0.23 -0.16 0.00 0.00 0.00 0.00 17.79 18.18 3koy h ALA 655 CO -0.22 -0.81 0.51 0.00 0.00 0.00 0.00 179.25 178.73 3koy h ALA 656 N -0.11 1.93 0.24 0.00 0.00 -1.48 0.54 119.26 120.38 3koy h ALA 656 Ca -0.06 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3koy h ALA 656 Cb 0.49 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3koy h ALA 656 CO 0.10 -0.68 -0.11 0.82 0.00 0.00 0.00 179.25 179.38 3koy h ILE 657 N 0.21 0.00 0.00 0.00 2.04 -1.47 0.43 117.51 118.72 3koy h ILE 657 Ca 0.75 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.43 3koy h ILE 657 Cb 1.78 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3koy h ILE 657 CO -0.67 0.00 0.12 -0.62 0.00 0.00 0.00 178.15 176.98 3koy n GLU 658 N -3.34 0.00 0.00 2.37 1.02 0.12 -0.32 120.64 120.48 3koy n GLU 658 Ca -0.04 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 3koy n GLU 658 Cb 0.13 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3koy n GLU 658 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3koy n LEU 659 N -1.31 0.09 -2.32 -4.62 -0.00 0.16 -5.03 117.00 103.96 3koy n LEU 659 Ca 0.00 -0.48 -0.08 0.00 -0.00 0.00 0.00 56.01 55.45 3koy n LEU 659 Cb 0.12 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.58 3koy n LEU 659 CO 0.00 0.02 0.03 0.29 -0.00 0.00 0.00 177.39 177.73 3koy n LYS 660 N -0.78 -1.88 -3.82 1.47 5.02 0.56 -5.03 118.16 113.69 3koy n LYS 660 Ca 0.00 0.43 -0.33 0.00 -2.02 0.00 0.00 58.31 56.39 3koy n LYS 660 Cb 0.00 -3.85 -0.05 0.00 -0.02 0.00 0.00 35.03 31.11 3koy n LYS 660 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3koy s ALA 661 N -3.19 3.90 -2.02 7.82 0.00 0.14 -4.98 121.76 123.43 3koy s ALA 661 Ca 0.15 -0.68 0.14 0.00 0.00 0.00 0.00 51.96 51.57 3koy s ALA 661 Cb -0.02 -1.98 0.40 0.00 0.00 0.00 0.00 23.12 21.53 3koy s ALA 661 CO 0.37 0.71 1.33 -0.25 0.00 0.00 0.00 175.76 177.93 3koy n ASP 662 N 0.81 2.33 0.00 0.00 8.00 -1.11 -4.90 116.55 121.68 3koy n ASP 662 Ca -0.09 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.42 3koy n ASP 662 Cb 0.52 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3koy n ASP 662 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koy n ALA 663 N 0.78 0.00 -2.75 2.24 0.00 -1.25 -3.65 120.51 115.88 3koy n ALA 663 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 3koy n ALA 663 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 3koy n ALA 663 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3koy s ILE 664 N -1.01 4.66 -0.08 0.00 1.01 -0.76 -1.84 121.20 123.18 3koy s ILE 664 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 3koy s ILE 664 Cb 0.00 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.49 3koy s ILE 664 CO 0.00 0.56 0.02 -0.76 0.00 0.00 0.00 174.94 174.76 3koy s LEU 665 N -1.08 0.56 0.11 2.97 1.43 -0.33 -1.25 118.68 121.08 3koy s LEU 665 Ca 0.15 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3koy s LEU 665 Cb -0.12 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 3koy s LEU 665 CO 0.05 -0.22 -0.09 0.00 0.23 0.00 0.00 176.35 176.32 3koy s ALA 666 N 2.00 1.13 0.09 4.21 0.00 -0.39 -1.67 121.76 127.13 3koy s ALA 666 Ca 0.04 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 50.79 3koy s ALA 666 Cb -0.13 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3koy s ALA 666 CO -0.05 -0.11 -0.20 0.45 0.00 0.00 0.00 175.76 175.85 3koy s SER 667 N -2.76 2.45 -0.08 0.00 0.15 -0.99 -1.90 113.70 110.57 3koy s SER 667 Ca 0.09 -0.64 -0.01 0.00 0.70 0.00 0.00 55.95 56.09 3koy s SER 667 Cb 0.01 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.20 3koy s SER 667 CO -0.01 0.07 -0.01 -0.89 1.20 0.00 0.00 173.24 173.60 3koy s THR 668 N -1.08 0.46 -0.20 6.45 2.01 -0.10 -2.95 115.64 120.23 3koy s THR 668 Ca 0.06 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.94 3koy s THR 668 Cb -0.10 -0.61 -0.07 0.00 0.01 0.00 0.00 72.50 71.73 3koy s THR 668 CO 0.03 0.26 -0.33 -0.38 -0.69 0.00 0.00 174.62 173.51 3koy n ILE 669 N 5.12 1.50 -1.91 1.82 2.08 -1.26 -3.82 119.36 122.89 3koy n ILE 669 Ca -0.08 0.04 -0.41 0.00 0.56 0.00 0.00 62.75 62.86 3koy n ILE 669 Cb 0.50 -2.26 -0.01 0.00 -0.75 0.00 0.00 39.64 37.12 3koy n ILE 669 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3koy s ILE 670 N -2.79 2.28 0.00 1.39 1.01 -1.26 -4.64 121.20 117.20 3koy s ILE 670 Ca -0.30 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.63 3koy s ILE 670 Cb 0.06 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3koy s ILE 670 CO 0.43 0.07 0.00 -1.54 0.00 0.00 0.00 174.94 173.90 3koy n SER 671 N 0.70 3.52 -4.13 3.58 3.41 -1.26 -4.10 113.62 115.34 3koy n SER 671 Ca 0.01 0.00 -0.51 0.00 -0.26 0.00 0.00 58.87 58.11 3koy n SER 671 Cb 0.40 0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 64.96 3koy n SER 671 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3koy n HIS 672 N -1.11 0.19 -2.09 7.33 -0.00 -1.26 -0.15 115.22 118.14 3koy n HIS 672 Ca 0.00 0.95 -0.17 0.00 -0.00 0.00 0.00 57.72 58.50 3koy n HIS 672 Cb 0.04 -1.89 -0.02 0.00 -0.00 0.00 0.00 29.99 28.11 3koy n HIS 672 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3koy n ASP 673 N 1.57 -4.93 -3.73 0.26 2.03 -1.26 -2.25 116.55 108.24 3koy n ASP 673 Ca 0.18 0.10 -0.29 0.00 0.52 0.00 0.00 54.79 55.30 3koy n ASP 673 Cb 0.13 -3.99 0.01 0.00 -0.72 0.00 0.00 41.12 36.55 3koy n ASP 673 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3koy n ASP 674 N -1.03 -4.26 0.30 1.67 8.00 0.79 -4.83 116.55 117.19 3koy n ASP 674 Ca -0.19 -0.65 0.18 0.00 0.71 0.00 0.00 54.79 54.83 3koy n ASP 674 Cb 0.62 -3.45 0.97 0.00 -0.02 0.00 0.00 41.12 39.23 3koy n ASP 674 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3koy h ILE 675 N -1.54 0.30 0.00 0.53 6.09 -0.96 -2.42 117.51 119.50 3koy h ILE 675 Ca -0.53 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 3koy h ILE 675 Cb 1.35 1.12 0.00 0.00 0.47 0.00 0.00 36.82 39.76 3koy h ILE 675 CO 0.64 0.03 0.00 0.00 -3.07 0.00 0.00 178.15 175.75 3koy n HIS 676 N -3.45 0.00 -0.37 2.19 1.44 -1.26 -2.41 115.22 111.35 3koy n HIS 676 Ca -0.02 0.00 0.33 0.00 -2.01 0.00 0.00 57.72 56.02 3koy n HIS 676 Cb 0.13 -0.39 0.67 0.00 0.12 0.00 0.00 29.99 30.53 3koy n HIS 676 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 3koy h TYR 677 N 0.00 0.27 0.48 -1.40 0.05 -1.87 -1.86 116.97 112.64 3koy h TYR 677 Ca 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 3koy h TYR 677 Cb 0.00 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 3koy h TYR 677 CO 0.04 -0.01 -0.29 -0.22 -1.05 0.00 0.00 178.16 176.63 3koy h LYS 678 N 0.13 -0.69 -0.91 4.88 3.64 -1.52 -3.20 116.57 118.90 3koy h LYS 678 Ca 0.64 0.05 0.25 0.00 -1.27 0.00 0.00 60.65 60.32 3koy h LYS 678 Cb 2.23 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 34.16 3koy h LYS 678 CO -0.15 -0.46 0.64 -0.91 -2.27 0.00 0.00 179.45 176.30 3koy h ASN 679 N -0.72 0.07 -0.03 4.20 4.21 -0.97 0.38 115.58 122.72 3koy h ASN 679 Ca -0.07 0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.46 3koy h ASN 679 Cb 0.57 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.76 3koy h ASN 679 CO 0.07 0.02 0.02 0.24 -1.29 0.00 0.00 177.43 176.50 3koy h MET 680 N 0.07 0.00 0.03 0.81 2.86 -1.54 -2.45 114.93 114.70 3koy h MET 680 Ca 0.44 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.08 3koy h MET 680 Cb 1.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.30 3koy h MET 680 CO -0.04 0.00 -0.01 -0.22 1.06 0.00 0.00 176.91 177.70 3koy h LYS 681 N 0.00 -0.03 0.00 1.72 1.63 -0.34 -1.99 116.57 117.56 3koy h LYS 681 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3koy h LYS 681 Cb 0.06 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 3koy h LYS 681 CO -0.00 -0.02 0.33 -0.09 -3.45 0.00 0.00 179.45 176.22 3koy h ARG 682 N -0.05 0.00 0.02 1.90 2.43 -1.63 0.86 114.38 117.91 3koy h ARG 682 Ca -0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 3koy h ARG 682 Cb 0.03 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3koy h ARG 682 CO 0.01 0.00 -0.70 0.82 -1.51 0.00 0.00 179.97 178.58 3koy h ILE 683 N 0.00 1.41 -0.17 1.20 2.04 -1.43 0.10 117.51 120.67 3koy h ILE 683 Ca 0.00 -2.16 -0.19 0.00 1.00 0.00 0.00 64.86 63.50 3koy h ILE 683 Cb 0.67 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 3koy h ILE 683 CO 0.00 0.63 -0.68 -0.74 0.00 0.00 0.00 178.15 177.36 3koy h HIS 684 N -0.06 0.87 -0.40 1.37 2.76 0.12 -1.95 115.15 117.85 3koy h HIS 684 Ca -0.09 -0.36 -0.03 0.00 -2.20 0.00 0.00 60.37 57.69 3koy h HIS 684 Cb 1.42 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.21 3koy h HIS 684 CO 0.15 1.15 0.12 0.93 -1.30 0.00 0.00 177.93 178.97 3koy h GLU 685 N 0.48 0.63 -0.04 5.26 5.08 0.14 -1.76 114.58 124.37 3koy h GLU 685 Ca -0.02 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3koy h GLU 685 Cb 1.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3koy h GLU 685 CO 0.13 0.64 0.00 1.28 -1.00 0.00 0.00 179.01 180.06 3koy n LEU 686 N -4.58 0.26 -0.06 1.33 4.32 0.02 -0.17 117.00 118.12 3koy n LEU 686 Ca -0.00 -0.12 -0.03 0.00 -0.02 0.00 0.00 56.01 55.83 3koy n LEU 686 Cb 0.19 -0.03 -0.14 0.00 -1.62 0.00 0.00 43.42 41.82 3koy n LEU 686 CO 0.38 0.06 -0.97 0.00 -1.22 0.00 0.00 177.39 175.64 3koy n ALA 687 N -0.45 1.91 -0.06 -1.18 0.00 -0.74 -4.04 120.51 115.95 3koy n ALA 687 Ca 0.06 -0.96 -0.21 0.00 0.00 0.00 0.00 53.44 52.33 3koy n ALA 687 Cb 0.07 -0.29 -0.13 0.00 0.00 0.00 0.00 19.45 19.10 3koy n ALA 687 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3koy n VAL 688 N -2.51 1.64 0.27 0.00 0.31 -0.73 -0.42 118.33 116.90 3koy n VAL 688 Ca -0.21 -0.50 0.16 0.00 -0.01 0.00 0.00 64.34 63.78 3koy n VAL 688 Cb 0.90 -1.72 0.87 0.00 -0.91 0.00 0.00 33.84 32.98 3koy n VAL 688 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3koy h GLU 689 N -0.23 0.00 0.00 5.55 4.81 -0.79 -1.75 114.58 122.17 3koy h GLU 689 Ca -0.48 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.45 3koy h GLU 689 Cb 1.84 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.18 3koy h GLU 689 CO -0.06 0.00 -1.86 1.63 -0.73 0.00 0.00 179.01 177.99 3koy n LYS 690 N -2.70 0.56 0.00 1.92 4.76 -1.26 -5.03 118.16 116.41 3koy n LYS 690 Ca -0.02 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 3koy n LYS 690 Cb 0.16 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3koy n LYS 690 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3koy n GLY 691 N 1.35 0.89 0.06 0.72 0.00 -0.66 -5.04 105.19 102.51 3koy n GLY 691 Ca -0.39 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.64 3koy n GLY 691 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3koy n ILE 692 N 0.00 0.00 -1.04 -0.61 2.08 0.44 -4.88 119.36 115.34 3koy n ILE 692 Ca 0.00 -0.48 -0.15 0.00 0.56 0.00 0.00 62.75 62.69 3koy n ILE 692 Cb 0.00 1.03 -0.09 0.00 -0.75 0.00 0.00 39.64 39.83 3koy n ILE 692 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3koy n ARG 693 N -0.37 1.94 0.00 0.38 3.00 -0.39 -2.50 116.66 118.71 3koy n ARG 693 Ca 0.01 -1.26 0.00 0.00 -0.00 0.00 0.00 57.85 56.60 3koy n ARG 693 Cb 0.05 -1.85 0.00 0.00 0.00 0.00 0.00 32.46 30.66 3koy n ARG 693 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3koy n ASP 694 N 1.71 0.00 -0.03 6.15 5.75 -1.26 -4.86 116.55 124.02 3koy n ASP 694 Ca 0.37 -0.18 0.03 0.00 -0.01 0.00 0.00 54.79 54.99 3koy n ASP 694 Cb 0.73 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.85 3koy n ASP 694 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3koy n LYS 695 N 0.00 2.33 -4.20 0.11 5.02 -1.17 -5.03 118.16 115.22 3koy n LYS 695 Ca 0.00 -1.74 -0.15 0.00 -2.02 0.00 0.00 58.31 54.39 3koy n LYS 695 Cb 0.05 -1.11 -0.11 0.00 -0.02 0.00 0.00 35.03 33.84 3koy n LYS 695 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3koy s ILE 696 N -1.46 1.06 0.24 -0.18 2.07 -1.04 -4.93 121.20 116.96 3koy s ILE 696 Ca 0.09 -1.71 0.07 0.00 -1.41 0.00 0.00 60.65 57.69 3koy s ILE 696 Cb 0.08 -1.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.17 3koy s ILE 696 CO 0.01 -0.55 0.16 -0.04 -1.91 0.00 0.00 174.94 172.61 3koy s MET 697 N -2.89 2.84 -0.20 3.50 -1.94 -1.24 -4.84 119.30 114.54 3koy s MET 697 Ca 0.08 -1.06 -0.04 0.00 -1.71 0.00 0.00 55.69 52.95 3koy s MET 697 Cb -0.03 -2.53 0.09 0.00 2.01 0.00 0.00 34.83 34.38 3koy s MET 697 CO 0.01 0.41 0.23 0.42 -0.01 0.00 0.00 175.02 176.08 3koy s ILE 698 N -2.07 -0.33 0.08 2.53 1.01 -1.26 -1.83 121.20 119.31 3koy s ILE 698 Ca 0.32 -0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.99 3koy s ILE 698 Cb -0.08 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 3koy s ILE 698 CO 0.24 -0.17 -0.26 -0.83 0.00 0.00 0.00 174.94 173.92 3koy s GLY 699 N 2.34 1.42 0.17 6.18 0.00 -0.38 -0.90 107.32 116.15 3koy s GLY 699 Ca 0.07 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 43.41 3koy s GLY 699 CO -0.12 -1.24 0.22 0.00 0.00 0.00 0.00 173.10 171.97 3koy s GLY 701 N -3.02 -0.36 0.00 0.00 0.00 -0.80 -2.14 107.32 101.01 3koy s GLY 701 Ca 0.22 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.69 3koy s GLY 701 CO 0.03 0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.91 3koy n GLY 702 N -0.41 -0.67 0.33 0.20 0.00 -1.16 -0.93 105.19 102.55 3koy n GLY 702 Ca -0.07 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 3koy n GLY 702 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3koy h THR 703 N 0.21 0.00 -3.35 2.61 2.02 -1.83 -3.14 112.91 109.42 3koy h THR 703 Ca 0.00 0.00 -0.78 0.00 0.77 0.00 0.00 66.41 66.40 3koy h THR 703 Cb 0.00 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 66.16 3koy h THR 703 CO 0.00 0.00 0.48 -1.10 0.37 0.00 0.00 175.52 175.27 3koy s GLN 704 N -4.94 3.91 -0.26 6.66 -1.52 -1.26 -4.01 119.66 118.24 3koy s GLN 704 Ca -0.10 -2.71 -0.12 0.00 -1.95 0.00 0.00 55.36 50.49 3koy s GLN 704 Cb 0.07 -4.62 0.09 0.00 -0.22 0.00 0.00 33.01 28.34 3koy s GLN 704 CO 0.46 -1.39 0.60 0.08 -0.25 0.00 0.00 175.29 174.79 3koy s VAL 705 N 0.05 -0.40 -0.10 1.09 1.01 -1.19 -4.80 120.40 116.06 3koy s VAL 705 Ca 0.28 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3koy s VAL 705 Cb -0.08 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 3koy s VAL 705 CO -0.08 0.02 -0.12 0.42 0.00 0.00 0.00 175.10 175.34 3koy s THR 706 N 2.13 3.20 -1.04 3.92 -4.23 -1.26 -3.59 115.64 114.76 3koy s THR 706 Ca -0.08 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 3koy s THR 706 Cb -0.09 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3koy s THR 706 CO -0.18 0.55 0.77 -2.65 -0.54 0.00 0.00 174.62 172.58 3koy n PRO 707 N 2.95 0.00 -0.08 3.99 -0.02 -1.26 -2.16 135.00 138.41 3koy n PRO 707 Ca -0.18 0.29 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 3koy n PRO 707 Cb 0.53 -1.57 -0.04 0.00 -0.02 0.00 0.00 33.50 32.40 3koy n PRO 707 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3koy n GLU 708 N -1.27 0.48 0.00 -0.52 4.71 -1.26 -3.59 120.64 119.19 3koy n GLU 708 Ca 0.00 0.51 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 3koy n GLU 708 Cb 0.07 -1.68 0.00 0.00 -1.01 0.00 0.00 31.44 28.81 3koy n GLU 708 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3koy n VAL 709 N -4.56 0.00 -0.08 2.62 0.31 -0.92 -2.03 118.33 113.67 3koy n VAL 709 Ca -0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 3koy n VAL 709 Cb 0.38 -0.30 -0.08 0.00 -0.91 0.00 0.00 33.84 32.92 3koy n VAL 709 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3koy n ALA 710 N -0.36 1.66 0.20 3.52 0.00 -1.12 -4.37 120.51 120.04 3koy n ALA 710 Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 53.44 52.75 3koy n ALA 710 Cb 0.02 0.08 0.42 0.00 0.00 0.00 0.00 19.45 19.97 3koy n ALA 710 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3koy h VAL 711 N 0.00 1.04 -0.30 0.00 2.07 -1.47 -2.73 116.25 114.86 3koy h VAL 711 Ca -0.36 -1.22 -0.20 0.00 0.82 0.00 0.00 66.70 65.74 3koy h VAL 711 Cb 1.63 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 33.01 3koy h VAL 711 CO -0.04 0.33 0.25 0.29 0.02 0.00 0.00 177.57 178.42 3koy n LYS 712 N -3.85 1.49 0.00 1.57 5.02 -1.13 -2.62 118.16 118.63 3koy n LYS 712 Ca -0.01 -0.98 0.00 0.00 -2.02 0.00 0.00 58.31 55.30 3koy n LYS 712 Cb 0.41 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3koy n LYS 712 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3koy n GLN 713 N 0.61 0.00 0.00 1.97 1.13 -1.03 -5.00 117.38 115.07 3koy n GLN 713 Ca 0.19 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 3koy n GLN 713 Cb 0.61 -0.31 0.00 0.00 0.11 0.00 0.00 30.24 30.65 3koy n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3koy n GLY 714 N 0.00 2.93 3.77 1.08 0.00 -1.08 -4.31 105.19 107.58 3koy n GLY 714 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3koy n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3koy s VAL 715 N -2.83 3.19 0.08 1.61 -7.23 -1.24 -4.99 120.40 108.99 3koy s VAL 715 Ca 0.00 1.12 -0.26 0.00 -1.81 0.00 0.00 61.98 61.03 3koy s VAL 715 Cb 0.00 -3.68 -0.16 0.00 0.56 0.00 0.00 36.38 33.09 3koy s VAL 715 CO 0.00 0.21 1.68 0.44 -0.31 0.00 0.00 175.10 177.12 3koy h ASP 716 N 3.27 -0.25 -4.47 4.85 3.32 -1.32 -3.35 116.42 118.48 3koy h ASP 716 Ca -0.48 -0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.30 3koy h ASP 716 Cb 1.22 0.07 -0.24 0.00 0.22 0.00 0.00 39.33 40.60 3koy h ASP 716 CO 0.65 -0.17 -0.73 0.00 -1.72 0.00 0.00 179.24 177.27 3koy s ALA 717 N -6.08 0.38 0.19 3.45 0.00 -1.23 -4.80 121.76 113.66 3koy s ALA 717 Ca -0.15 -0.50 0.07 0.00 0.00 0.00 0.00 51.96 51.38 3koy s ALA 717 Cb 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3koy s ALA 717 CO 0.64 -0.01 0.02 0.20 0.00 0.00 0.00 175.76 176.61 3koy s GLY 718 N -1.00 1.70 -0.08 0.00 0.00 -1.26 -3.11 107.32 103.57 3koy s GLY 718 Ca -0.07 -1.38 -0.03 0.00 0.00 0.00 0.00 44.72 43.23 3koy s GLY 718 CO -0.00 -1.41 0.15 -1.36 0.00 0.00 0.00 173.10 170.48 3koy s PHE 719 N -1.81 -0.16 0.01 1.90 0.08 -0.91 -4.46 117.98 112.64 3koy s PHE 719 Ca 0.28 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.91 3koy s PHE 719 Cb -0.09 -0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.09 3koy s PHE 719 CO 0.19 -0.26 0.01 0.41 -0.10 0.00 0.00 175.22 175.47 3koy n GLY 720 N 5.27 2.85 3.37 4.36 0.00 -1.24 -3.01 105.19 116.79 3koy n GLY 720 Ca -0.05 -2.16 -0.57 0.00 0.00 0.00 0.00 46.02 43.23 3koy n GLY 720 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3koy n ARG 721 N -0.62 0.44 0.00 1.61 0.63 -1.25 -2.29 116.66 115.20 3koy n ARG 721 Ca 0.00 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3koy n ARG 721 Cb 0.01 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.05 3koy n ARG 721 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3koy n GLY 722 N 6.77 1.40 3.65 5.14 0.00 -1.26 -5.09 105.19 115.79 3koy n GLY 722 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 3koy n GLY 722 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3koy s SER 723 N -2.00 6.71 0.55 1.61 0.01 -0.97 -5.06 113.70 114.55 3koy s SER 723 Ca 0.00 0.87 0.05 0.00 1.31 0.00 0.00 55.95 58.18 3koy s SER 723 Cb 0.00 -2.37 0.06 0.00 0.21 0.00 0.00 66.02 63.92 3koy s SER 723 CO 0.00 -0.34 0.76 -0.54 0.41 0.00 0.00 173.24 173.53 3koy s LYS 724 N 2.19 2.39 0.40 12.44 1.02 -1.26 -4.78 119.74 132.15 3koy s LYS 724 Ca 0.30 -1.24 0.07 0.00 0.02 0.00 0.00 55.97 55.12 3koy s LYS 724 Cb -0.16 -2.59 0.83 0.00 -0.52 0.00 0.00 37.83 35.39 3koy s LYS 724 CO 0.10 -0.76 2.04 0.78 -0.92 0.00 0.00 175.35 176.58 3koy h GLY 725 N 0.16 0.67 0.38 -3.33 0.00 -1.69 -1.75 103.07 97.51 3koy h GLY 725 Ca -0.37 -0.24 0.14 0.00 0.00 0.00 0.00 47.33 46.86 3koy h GLY 725 CO 0.44 0.22 0.63 1.19 0.00 0.00 0.00 176.54 179.02 3koy h ILE 726 N 0.61 0.86 -0.38 2.60 6.09 -1.90 -1.80 117.51 123.59 3koy h ILE 726 Ca 0.19 -0.32 -0.12 0.00 -1.37 0.00 0.00 64.86 63.24 3koy h ILE 726 Cb 0.01 -0.15 -0.01 0.00 0.47 0.00 0.00 36.82 37.14 3koy h ILE 726 CO -0.05 0.17 -0.25 0.45 -3.07 0.00 0.00 178.15 175.40 3koy h HIS 727 N 0.93 0.90 0.27 2.19 3.86 -1.69 -2.16 115.15 119.44 3koy h HIS 727 Ca 0.52 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 3koy h HIS 727 Cb 0.61 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3koy h HIS 727 CO -0.00 0.95 -0.13 0.28 0.86 0.00 0.00 177.93 179.89 3koy h VAL 728 N 0.68 0.40 -0.89 2.45 2.07 -1.40 -3.00 116.25 116.55 3koy h VAL 728 Ca 0.09 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.82 3koy h VAL 728 Cb 0.78 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3koy h VAL 728 CO 0.06 0.10 0.54 0.00 0.02 0.00 0.00 177.57 178.30 3koy h ALA 729 N -0.74 1.27 -0.66 1.67 0.00 -1.43 0.11 119.26 119.49 3koy h ALA 729 Ca -0.04 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3koy h ALA 729 Cb 0.45 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 3koy h ALA 729 CO 0.06 0.22 0.36 1.15 0.00 0.00 0.00 179.25 181.04 3koy h THR 730 N 0.93 0.94 -0.26 0.00 2.02 -1.50 -2.52 112.91 112.53 3koy h THR 730 Ca 0.42 -0.22 -0.14 0.00 0.77 0.00 0.00 66.41 67.23 3koy h THR 730 Cb 0.31 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3koy h THR 730 CO -0.22 0.12 -0.43 0.15 0.37 0.00 0.00 175.52 175.51 3koy h PHE 731 N 0.65 0.76 0.00 3.16 3.57 -0.91 -3.12 116.94 121.04 3koy h PHE 731 Ca 0.30 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3koy h PHE 731 Cb 0.22 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3koy h PHE 731 CO -0.09 0.95 0.00 -0.07 -2.23 0.00 0.00 178.31 176.87 3koy h LEU 732 N 0.51 0.00 0.00 0.59 3.38 -0.45 -2.13 115.31 117.22 3koy h LEU 732 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3koy h LEU 732 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3koy h LEU 732 CO 0.09 0.00 -1.29 1.33 0.09 0.00 0.00 178.44 178.65 3koy n VAL 733 N -3.05 0.09 -0.06 1.22 0.24 -1.05 -4.16 118.33 111.56 3koy n VAL 733 Ca 0.01 -0.26 -0.18 0.00 -2.04 0.00 0.00 64.34 61.87 3koy n VAL 733 Cb 0.31 0.35 -0.13 0.00 -1.47 0.00 0.00 33.84 32.90 3koy n VAL 733 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3koy h LYS 734 N 0.00 0.06 0.00 7.34 1.57 -1.36 -2.44 116.57 121.74 3koy h LYS 734 Ca 0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3koy h LYS 734 Cb 0.75 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3koy h LYS 734 CO 0.00 1.05 0.00 1.17 -0.57 0.00 0.00 179.45 181.10 3koy n LYS 735 N -4.40 0.74 -0.02 3.15 3.00 -0.85 -2.08 118.16 117.70 3koy n LYS 735 Ca -0.20 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.14 3koy n LYS 735 Cb 0.65 -1.44 -0.10 0.00 0.00 0.00 0.00 35.03 34.13 3koy n LYS 735 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3koy n ARG 736 N -0.94 0.83 -0.15 1.64 0.63 -1.24 -3.90 116.66 113.53 3koy n ARG 736 Ca 0.16 -0.09 0.06 0.00 -0.92 0.00 0.00 57.85 57.05 3koy n ARG 736 Cb 0.07 -1.32 0.16 0.00 0.45 0.00 0.00 32.46 31.82 3koy n ARG 736 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3koy n ARG 737 N -2.10 1.71 -0.03 -0.14 1.74 -0.88 -1.00 116.66 115.95 3koy n ARG 737 Ca -0.07 -1.10 -0.04 0.00 -0.77 0.00 0.00 57.85 55.86 3koy n ARG 737 Cb 0.50 -1.26 -0.01 0.00 -1.02 0.00 0.00 32.46 30.67 3koy n ARG 737 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3koy n GLU 738 N 0.39 0.25 0.44 5.56 0.28 -1.12 -4.75 120.64 121.69 3koy n GLU 738 Ca 0.11 0.10 -0.20 0.00 -0.16 0.00 0.00 57.16 57.01 3koy n GLU 738 Cb 0.27 -0.89 -0.10 0.00 1.43 0.00 0.00 31.44 32.14 3koy n GLU 738 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 3koy h MET 739 N -0.48 -1.19 -0.03 3.44 2.07 -1.71 -3.52 114.93 113.52 3koy h MET 739 Ca 0.00 0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 3koy h MET 739 Cb 0.48 0.27 0.00 0.00 -1.87 0.00 0.00 31.60 30.48 3koy h MET 739 CO 0.00 -0.79 0.00 2.89 1.07 0.00 0.00 176.91 180.08