#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 -2.78 1.96 7.27 -1.26 -5.10 117.38 117.47 3koy n GLN 6 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 3koy n GLN 6 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3koy n GLN 6 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3koy n LEU 7 N 0.00 -7.85 -4.87 1.69 4.77 -1.26 -5.06 117.00 104.41 3koy n LEU 7 Ca 0.00 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.78 3koy n LEU 7 Cb 0.00 -3.31 -0.06 0.00 -2.33 0.00 0.00 43.42 37.72 3koy n LEU 7 CO 0.00 -2.94 -0.11 -0.13 -1.33 0.00 0.00 177.39 172.88 3koy s ARG 8 N -1.88 3.54 0.11 3.23 1.81 -1.26 -4.98 118.95 119.52 3koy s ARG 8 Ca 0.07 -0.02 0.20 0.00 -1.72 0.00 0.00 55.73 54.25 3koy s ARG 8 Cb -0.02 -3.19 0.81 0.00 -0.45 0.00 0.00 34.95 32.10 3koy s ARG 8 CO 0.76 0.76 1.61 1.33 -0.68 0.00 0.00 175.30 179.08 3koy n VAL 9 N 1.91 0.85 -0.01 3.52 0.24 -1.26 -2.75 118.33 120.82 3koy n VAL 9 Ca -0.18 0.20 0.01 0.00 -2.04 0.00 0.00 64.34 62.32 3koy n VAL 9 Cb 0.54 -1.01 0.03 0.00 -1.47 0.00 0.00 33.84 31.93 3koy n VAL 9 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3koy n ASN 10 N -1.82 2.01 -4.52 -1.34 0.23 -1.26 -4.94 115.26 103.62 3koy n ASN 10 Ca 0.03 -1.84 -0.34 0.00 -0.53 0.00 0.00 54.58 51.90 3koy n ASN 10 Cb 0.22 -0.04 -0.12 0.00 -2.08 0.00 0.00 39.78 37.76 3koy n ASN 10 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3koy s GLU 11 N -0.86 3.74 0.78 -3.83 2.02 -1.11 -5.11 118.70 114.33 3koy s GLU 11 Ca 0.04 -0.47 -0.15 0.00 0.02 0.00 0.00 54.97 54.41 3koy s GLU 11 Cb 0.02 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 3koy s GLU 11 CO 0.03 0.16 0.48 1.63 0.02 0.00 0.00 175.26 177.58 3koy n LYS 12 N 3.82 0.15 -1.94 1.61 5.02 -1.26 -4.66 118.16 120.91 3koy n LYS 12 Ca -0.17 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 3koy n LYS 12 Cb 0.52 -1.83 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.34 4.37 -1.03 -0.35 1.02 -1.26 -4.90 118.68 116.18 3koy s LEU 13 Ca 0.63 2.50 -0.23 0.00 0.02 0.00 0.00 54.13 57.05 3koy s LEU 13 Cb -0.31 -3.57 0.01 0.00 0.02 0.00 0.00 46.19 42.34 3koy s LEU 13 CO 0.61 -0.87 1.70 -0.62 0.02 0.00 0.00 176.35 177.18 3koy s ASP 14 N 2.14 5.95 0.49 2.29 -1.08 -1.26 -4.73 116.67 120.47 3koy s ASP 14 Ca 0.73 -1.34 0.33 0.00 -0.52 0.00 0.00 52.55 51.75 3koy s ASP 14 Cb -0.40 -2.57 1.61 0.00 -1.46 0.00 0.00 42.92 40.10 3koy s ASP 14 CO 0.32 -2.03 1.99 1.62 0.52 0.00 0.00 175.17 177.60 3koy h VAL 15 N 6.74 0.00 -0.11 1.11 3.04 -1.94 -1.36 116.25 123.73 3koy h VAL 15 Ca 0.20 -0.18 -0.06 0.00 -1.01 0.00 0.00 66.70 65.65 3koy h VAL 15 Cb 0.98 1.01 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3koy h VAL 15 CO 1.34 0.00 -0.17 -0.08 -1.01 0.00 0.00 177.57 177.66 3koy h GLU 16 N 0.00 0.30 0.00 4.17 4.81 -1.98 -2.60 114.58 119.27 3koy h GLU 16 Ca 0.00 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 58.96 3koy h GLU 16 Cb 0.20 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3koy h GLU 16 CO 0.00 0.76 -0.43 -0.97 -0.73 0.00 0.00 179.01 177.64 3koy h ASN 17 N -0.13 0.00 -0.38 1.04 -1.24 -1.68 -2.49 115.58 110.69 3koy h ASN 17 Ca 0.01 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 3koy h ASN 17 Cb 0.73 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.76 3koy h ASN 17 CO 0.04 0.43 0.21 0.40 -1.29 0.00 0.00 177.43 177.21 3koy h ILE 18 N 0.00 1.15 0.00 2.57 1.08 -1.30 -2.07 117.51 118.94 3koy h ILE 18 Ca -0.00 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3koy h ILE 18 Cb 0.79 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 3koy h ILE 18 CO 0.06 0.15 0.00 0.18 -0.69 0.00 0.00 178.15 177.85 3koy n LEU 19 N -4.75 0.00 -4.65 1.44 4.77 -0.95 -4.65 117.00 108.22 3koy n LEU 19 Ca -0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 3koy n LEU 19 Cb 0.08 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 3koy n LEU 19 CO 0.36 0.00 0.15 -0.54 -1.33 0.00 0.00 177.39 176.03 3koy s LYS 20 N -2.00 4.14 -0.28 3.23 1.02 -0.78 -4.40 119.74 120.66 3koy s LYS 20 Ca 0.08 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.32 3koy s LYS 20 Cb 0.04 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 3koy s LYS 20 CO 0.06 -0.15 0.00 -0.25 -0.92 0.00 0.00 175.35 174.09 3koy n ASP 21 N 4.86 -2.89 0.00 2.83 8.00 -1.26 -4.90 116.55 123.18 3koy n ASP 21 Ca -0.07 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3koy n ASP 21 Cb 0.51 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 3koy n ASP 21 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3koy n LEU 22 N -0.34 0.00 0.09 0.64 4.77 -1.26 -0.45 117.00 120.45 3koy n LEU 22 Ca -0.03 0.33 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 3koy n LEU 22 Cb 0.21 -0.33 0.39 0.00 -2.33 0.00 0.00 43.42 41.35 3koy n LEU 22 CO 0.04 -0.33 0.81 -0.90 -1.33 0.00 0.00 177.39 175.68 3koy n ASP 23 N -1.31 0.72 -0.48 -1.43 5.75 -1.26 -3.51 116.55 115.02 3koy n ASP 23 Ca 0.00 0.49 0.06 0.00 -0.01 0.00 0.00 54.79 55.33 3koy n ASP 23 Cb 0.05 -0.62 0.05 0.00 -1.03 0.00 0.00 41.12 39.57 3koy n ASP 23 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3koy n LYS 24 N -2.16 0.68 -2.68 0.11 4.76 0.40 -5.01 118.16 114.27 3koy n LYS 24 Ca 0.05 -1.22 -0.42 0.00 -2.87 0.00 0.00 58.31 53.86 3koy n LYS 24 Cb 0.42 -1.23 -0.03 0.00 -1.84 0.00 0.00 35.03 32.35 3koy n LYS 24 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3koy s TYR 25 N -1.01 3.67 0.19 2.13 5.04 -1.23 -5.07 117.35 121.08 3koy s TYR 25 Ca 0.14 1.68 0.11 0.00 -2.44 0.00 0.00 57.07 56.56 3koy s TYR 25 Cb 0.10 -3.14 -0.04 0.00 0.35 0.00 0.00 41.96 39.22 3koy s TYR 25 CO 0.15 -0.12 -0.23 0.99 -1.34 0.00 0.00 175.55 175.00 3koy s THR 26 N 0.73 2.29 0.10 4.34 2.01 -1.26 -5.09 115.64 118.76 3koy s THR 26 Ca 0.51 -2.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.18 3koy s THR 26 Cb -0.23 -2.09 -0.06 0.00 0.01 0.00 0.00 72.50 70.13 3koy s THR 26 CO 0.29 -0.15 1.05 -2.16 -0.69 0.00 0.00 174.62 172.95 3koy s PRO 27 N -2.71 4.59 0.22 4.92 0.04 -1.26 -4.96 135.00 135.84 3koy s PRO 27 Ca 0.20 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 3koy s PRO 27 Cb -0.08 -3.36 0.25 0.00 0.04 0.00 0.00 34.50 31.36 3koy s PRO 27 CO 0.10 0.04 1.58 -0.22 0.04 0.00 0.00 177.00 178.54 3koy h LYS 28 N 5.91 -0.05 0.00 4.56 3.64 -1.95 -3.45 116.57 125.22 3koy h LYS 28 Ca -0.43 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.45 3koy h LYS 28 Cb 1.21 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 3koy h LYS 28 CO 0.74 -0.03 -0.46 2.89 -2.27 0.00 0.00 179.45 180.32 3koy n ARG 29 N -5.49 0.49 -4.03 1.90 1.85 -1.26 -5.18 116.66 104.94 3koy n ARG 29 Ca 0.09 -3.34 -0.09 0.00 -1.00 0.00 0.00 57.85 53.51 3koy n ARG 29 Cb 0.39 2.28 -0.09 0.00 -1.05 0.00 0.00 32.46 33.99 3koy n ARG 29 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3koy s ARG 30 N -3.43 0.86 0.00 2.89 0.52 -1.26 -4.78 118.95 113.75 3koy s ARG 30 Ca 0.30 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 3koy s ARG 30 Cb 0.01 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.77 3koy s ARG 30 CO 0.21 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.69 3koy n GLY 31 N -0.05 -0.50 3.81 -3.53 0.00 -1.23 -4.95 105.19 98.74 3koy n GLY 31 Ca -0.10 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.13 3.61 -0.07 1.61 -0.11 -0.44 -4.63 118.94 116.78 3koy s TRP 32 Ca 0.00 1.42 0.05 0.00 1.22 0.00 0.00 56.10 58.79 3koy s TRP 32 Cb 0.00 -2.65 -0.01 0.00 -1.50 0.00 0.00 33.47 29.31 3koy s TRP 32 CO 0.00 0.28 -0.23 0.95 -4.62 0.00 0.00 176.95 173.32 3koy s THR 33 N -1.61 2.20 0.66 5.86 -4.23 -1.26 -5.00 115.64 112.26 3koy s THR 33 Ca 0.46 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3koy s THR 33 Cb -0.16 -1.82 0.09 0.00 1.34 0.00 0.00 72.50 71.95 3koy s THR 33 CO 0.21 0.57 0.93 0.26 -0.54 0.00 0.00 174.62 176.04 3koy s TRP 34 N -0.08 2.15 0.18 3.99 0.52 -1.26 -4.91 118.94 119.53 3koy s TRP 34 Ca -0.06 -0.11 -0.13 0.00 0.02 0.00 0.00 56.10 55.82 3koy s TRP 34 Cb -0.14 -2.94 -0.07 0.00 -1.15 0.00 0.00 33.47 29.16 3koy s TRP 34 CO 0.05 -1.41 0.56 1.03 0.02 0.00 0.00 176.95 177.19 3koy s ARG 35 N -5.03 3.93 -0.23 4.98 0.52 -1.26 -5.05 118.95 116.80 3koy s ARG 35 Ca 0.63 0.44 -0.18 0.00 -0.52 0.00 0.00 55.73 56.09 3koy s ARG 35 Cb -0.08 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 3koy s ARG 35 CO 0.42 0.41 0.53 -0.65 0.02 0.00 0.00 175.30 176.04 3koy s GLN 36 N -2.27 4.13 0.16 3.54 -1.52 -1.26 -5.01 119.66 117.44 3koy s GLN 36 Ca 0.41 0.39 -0.33 0.00 -1.95 0.00 0.00 55.36 53.88 3koy s GLN 36 Cb -0.14 -3.61 -0.13 0.00 -0.22 0.00 0.00 33.01 28.92 3koy s GLN 36 CO 0.20 -0.26 1.67 -2.30 -0.25 0.00 0.00 175.29 174.35 3koy n PRO 37 N 5.20 2.44 -3.72 2.91 -0.02 -1.26 -1.61 135.00 138.95 3koy n PRO 37 Ca -0.04 0.88 -0.33 0.00 -2.02 0.00 0.00 63.50 61.99 3koy n PRO 37 Cb 0.50 -2.70 -0.08 0.00 -0.02 0.00 0.00 33.50 31.20 3koy n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3koy n ALA 38 N 4.01 3.70 -1.78 3.55 0.00 -0.14 -4.81 120.51 125.04 3koy n ALA 38 Ca 0.17 -4.59 -0.41 0.00 0.00 0.00 0.00 53.44 48.61 3koy n ALA 38 Cb 0.32 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 3koy n ALA 38 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3koy s GLU 39 N -1.48 4.15 -1.66 0.00 2.02 -1.26 -2.63 118.70 117.84 3koy s GLU 39 Ca 0.27 2.52 -0.15 0.00 0.02 0.00 0.00 54.97 57.64 3koy s GLU 39 Cb -0.05 -3.01 0.13 0.00 0.10 0.00 0.00 34.13 31.29 3koy s GLU 39 CO -0.14 -0.54 0.67 0.09 0.02 0.00 0.00 175.26 175.36 3koy n ASN 40 N 1.42 -2.46 -4.77 -0.19 3.02 -1.08 -4.91 115.26 106.30 3koy n ASN 40 Ca 0.05 -1.04 -0.39 0.00 -0.03 0.00 0.00 54.58 53.17 3koy n ASN 40 Cb 0.39 -2.68 -0.02 0.00 -0.61 0.00 0.00 39.78 36.86 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 -7.22 4.21 -0.19 3.41 2.96 -1.08 -4.77 118.68 116.00 3koy s LEU 41 Ca 0.58 2.40 -0.07 0.00 -0.22 0.00 0.00 54.13 56.81 3koy s LEU 41 Cb -0.32 -3.98 -0.04 0.00 0.50 0.00 0.00 46.19 42.35 3koy s LEU 41 CO 0.93 -0.68 0.06 -1.58 -1.32 0.00 0.00 176.35 173.76 3koy s GLN 42 N -2.25 3.91 -0.06 1.98 0.74 -1.26 -1.75 119.66 120.98 3koy s GLN 42 Ca 0.56 -0.37 -0.01 0.00 0.05 0.00 0.00 55.36 55.60 3koy s GLN 42 Cb -0.32 -3.23 0.03 0.00 1.10 0.00 0.00 33.01 30.59 3koy s GLN 42 CO 0.40 0.19 -0.01 -1.64 -0.55 0.00 0.00 175.29 173.69 3koy s MET 43 N 0.60 0.57 5.84 1.67 -1.94 -0.58 -5.01 119.30 120.45 3koy s MET 43 Ca 0.03 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 3koy s MET 43 Cb -0.13 -0.83 0.00 0.00 2.01 0.00 0.00 34.83 35.88 3koy s MET 43 CO 0.01 -0.22 0.00 0.41 -0.01 0.00 0.00 175.02 175.21 3koy n GLY 44 N 4.73 2.44 0.07 -0.03 0.00 -1.26 -1.84 105.19 109.29 3koy n GLY 44 Ca -0.14 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.56 3koy n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3koy n PRO 45 N 13.51 0.60 -4.25 1.61 -0.02 -1.26 -4.95 135.00 140.24 3koy n PRO 45 Ca 0.00 -0.14 -0.23 0.00 -2.02 0.00 0.00 63.50 61.11 3koy n PRO 45 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.92 3koy n PRO 45 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3koy s PHE 46 N -2.50 2.77 -0.04 6.00 0.08 -0.77 -5.13 117.98 118.39 3koy s PHE 46 Ca 0.29 -0.22 0.03 0.00 0.12 0.00 0.00 56.93 57.16 3koy s PHE 46 Cb 0.20 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 3koy s PHE 46 CO 0.47 0.58 -0.11 0.42 -0.10 0.00 0.00 175.22 176.48 3koy s ILE 47 N -2.30 3.31 -0.19 0.64 1.01 -1.26 -1.53 121.20 120.88 3koy s ILE 47 Ca 0.32 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.28 3koy s ILE 47 Cb -0.06 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.08 3koy s ILE 47 CO 0.21 0.54 -0.19 -0.31 0.00 0.00 0.00 174.94 175.19 3koy s TYR 48 N -0.81 2.81 0.10 3.97 2.02 -0.72 -5.01 117.35 119.72 3koy s TYR 48 Ca 0.13 -1.68 -0.14 0.00 -0.37 0.00 0.00 57.07 55.01 3koy s TYR 48 Cb -0.11 -1.92 -0.10 0.00 -0.40 0.00 0.00 41.96 39.43 3koy s TYR 48 CO 0.02 -0.81 1.39 0.87 -1.57 0.00 0.00 175.55 175.45 3koy h LYS 49 N 7.93 0.76 -1.47 -0.62 1.79 -1.91 -2.85 116.57 120.21 3koy h LYS 49 Ca -0.44 -0.46 -0.59 0.00 -2.18 0.00 0.00 60.65 56.97 3koy h LYS 49 Cb 1.13 0.05 -0.42 0.00 -1.58 0.00 0.00 32.23 31.42 3koy h LYS 49 CO 0.63 1.09 -0.69 -0.25 -1.08 0.00 0.00 179.45 179.15 3koy n ASP 50 N -4.15 4.81 -4.90 0.86 8.00 -1.26 -4.46 116.55 115.45 3koy n ASP 50 Ca -0.05 -3.73 -0.32 0.00 0.71 0.00 0.00 54.79 51.41 3koy n ASP 50 Cb 0.56 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 3koy n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koy s ALA 51 N -3.56 3.90 0.60 2.24 0.00 -1.26 -3.50 121.76 120.18 3koy s ALA 51 Ca 0.48 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.82 3koy s ALA 51 Cb 0.40 -1.98 0.10 0.00 0.00 0.00 0.00 23.12 21.65 3koy s ALA 51 CO -0.18 0.74 0.82 -1.13 0.00 0.00 0.00 175.76 176.00 3koy n SER 52 N 0.45 1.84 -4.76 0.00 3.41 0.47 -0.97 113.62 114.06 3koy n SER 52 Ca -0.06 -2.38 -0.41 0.00 -0.26 0.00 0.00 58.87 55.76 3koy n SER 52 Cb 0.52 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3koy n SER 52 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3koy n THR 53 N -2.36 1.90 -1.54 6.66 -1.04 -0.63 -4.26 114.28 113.02 3koy n THR 53 Ca 0.16 -0.48 -0.31 0.00 -2.04 0.00 0.00 64.05 61.38 3koy n THR 53 Cb 0.57 -1.92 0.06 0.00 -1.82 0.00 0.00 70.33 67.22 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 -1.92 2.78 0.46 -2.82 0.02 -1.26 -4.65 135.00 127.61 3koy s PRO 54 Ca 0.54 1.05 -0.07 0.00 0.02 0.00 0.00 61.00 62.55 3koy s PRO 54 Cb -0.49 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.02 3koy s PRO 54 CO 0.62 -1.23 0.80 -0.51 -0.33 0.00 0.00 177.00 176.35 3koy s LEU 55 N -5.53 3.67 0.03 -5.54 1.43 -1.26 -4.99 118.68 106.49 3koy s LEU 55 Ca 0.60 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 3koy s LEU 55 Cb -0.15 -3.97 -0.26 0.00 0.03 0.00 0.00 46.19 41.84 3koy s LEU 55 CO 0.53 -0.54 0.94 -0.33 0.23 0.00 0.00 176.35 177.18 3koy h GLU 56 N 0.55 0.18 -4.17 1.70 5.08 -1.45 -3.45 114.58 113.01 3koy h GLU 56 Ca -0.47 -0.31 -0.45 0.00 -1.00 0.00 0.00 59.36 57.14 3koy h GLU 56 Cb 1.20 0.11 -0.34 0.00 0.50 0.00 0.00 28.75 30.22 3koy h GLU 56 CO 0.62 1.03 -0.79 -0.80 -1.00 0.00 0.00 179.01 178.08 3koy s ASN 57 N -6.85 1.30 0.28 1.42 0.01 -1.11 -5.02 114.94 104.97 3koy s ASN 57 Ca -0.06 -0.19 -0.09 0.00 -0.71 0.00 0.00 52.86 51.81 3koy s ASN 57 Cb 0.08 -0.58 0.04 0.00 0.41 0.00 0.00 41.25 41.19 3koy s ASN 57 CO 0.85 -0.04 0.53 -1.54 -1.51 0.00 0.00 177.10 175.39 3koy n SER 58 N 4.10 -1.54 -4.07 -1.22 3.41 -1.26 -4.56 113.62 108.48 3koy n SER 58 Ca -0.22 -2.16 -0.32 0.00 -0.26 0.00 0.00 58.87 55.90 3koy n SER 58 Cb 0.51 2.59 -0.15 0.00 -0.26 0.00 0.00 64.21 66.90 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 -2.41 2.37 0.92 -3.33 1.01 -0.93 -5.01 120.40 113.02 3koy s VAL 59 Ca 0.13 -1.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.11 3koy s VAL 59 Cb -0.03 -2.54 0.15 0.00 0.00 0.00 0.00 36.38 33.96 3koy s VAL 59 CO 0.09 -0.28 1.11 0.00 0.00 0.00 0.00 175.10 176.02 3koy s ALA 60 N 1.05 1.33 0.78 5.51 0.00 -1.26 -4.73 121.76 124.44 3koy s ALA 60 Ca -0.00 0.33 -0.14 0.00 0.00 0.00 0.00 51.96 52.14 3koy s ALA 60 Cb -0.20 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.63 3koy s ALA 60 CO -0.06 -2.68 1.21 1.28 0.00 0.00 0.00 175.76 175.51 3koy n LEU 61 N -4.16 4.69 -0.19 0.00 4.77 -1.26 -4.91 117.00 115.95 3koy n LEU 61 Ca 0.09 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 3koy n LEU 61 Cb 0.53 -1.51 0.10 0.00 -2.33 0.00 0.00 43.42 40.20 3koy n LEU 61 CO 0.52 -1.58 0.87 -0.65 -1.33 0.00 0.00 177.39 175.23 3koy h PRO 62 N -0.61 0.17 0.00 3.23 0.11 -2.00 -2.27 132.00 130.63 3koy h PRO 62 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3koy h PRO 62 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3koy h PRO 62 CO 0.47 0.11 0.00 0.43 -0.21 0.00 0.00 178.00 178.81 3koy n SER 63 N -5.20 0.00 0.11 -2.05 7.64 -1.26 -2.71 113.62 110.14 3koy n SER 63 Ca 0.08 0.34 0.08 0.00 1.01 0.00 0.00 58.87 60.38 3koy n SER 63 Cb 0.32 -0.43 0.41 0.00 -1.01 0.00 0.00 64.21 63.51 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 -1.43 1.13 0.29 -0.43 0.00 -0.85 -2.11 120.51 117.11 3koy n ALA 64 Ca 0.06 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.77 3koy n ALA 64 Cb 0.20 -1.24 0.87 0.00 0.00 0.00 0.00 19.45 19.29 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 0.00 0.00 0.00 2.10 -1.71 0.17 116.57 117.13 3koy h LYS 65 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3koy h LYS 65 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 3koy h LYS 65 CO 0.00 0.02 0.00 0.66 -2.00 0.00 0.00 179.45 178.13 3koy n TYR 66 N -3.88 0.18 -1.22 0.07 4.01 -0.90 -3.92 117.16 111.50 3koy n TYR 66 Ca -0.03 0.06 0.07 0.00 -0.16 0.00 0.00 57.90 57.84 3koy n TYR 66 Cb 0.10 -0.59 0.09 0.00 -0.31 0.00 0.00 39.34 38.63 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 -1.65 0.00 -0.18 -0.72 3.72 0.38 -4.96 117.46 114.05 3koy n PHE 67 Ca 0.06 -0.71 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 3koy n PHE 67 Cb 0.31 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.00 0.91 2.79 1.37 0.00 -1.07 -4.13 105.19 104.05 3koy n GLY 68 Ca 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 0.02 -5.27 -4.77 1.61 8.00 0.12 -5.00 116.55 111.26 3koy n ASP 69 Ca 0.00 -0.24 -0.39 0.00 0.71 0.00 0.00 54.79 54.87 3koy n ASP 69 Cb 0.00 -4.10 -0.03 0.00 -0.02 0.00 0.00 41.12 36.96 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 -3.07 3.42 -0.55 0.53 -4.36 -1.26 -4.76 121.20 111.15 3koy s ILE 70 Ca 0.26 1.27 0.05 0.00 -0.26 0.00 0.00 60.65 61.96 3koy s ILE 70 Cb -0.11 -3.75 0.18 0.00 1.25 0.00 0.00 42.46 40.03 3koy s ILE 70 CO 0.32 0.18 0.44 -0.67 0.24 0.00 0.00 174.94 175.45 3koy n ASP 71 N 0.52 1.32 -4.76 4.36 2.03 -1.26 -4.65 116.55 114.11 3koy n ASP 71 Ca 0.02 -2.82 -0.38 0.00 0.52 0.00 0.00 54.79 52.13 3koy n ASP 71 Cb 0.46 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 3koy n ASP 71 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3koy s PRO 72 N -0.81 3.72 -0.13 -0.67 0.02 -1.26 -4.62 135.00 131.24 3koy s PRO 72 Ca 0.30 1.99 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 3koy s PRO 72 Cb 0.02 -2.50 -0.02 0.00 0.02 0.00 0.00 34.50 32.01 3koy s PRO 72 CO -0.17 -0.65 -0.11 -0.65 -0.33 0.00 0.00 177.00 175.09 3koy s GLN 73 N -2.57 3.41 1.14 5.54 -1.52 -1.26 -5.00 119.66 119.40 3koy s GLN 73 Ca 0.63 -0.64 -0.18 0.00 -1.95 0.00 0.00 55.36 53.22 3koy s GLN 73 Cb -0.34 -2.69 0.26 0.00 -0.22 0.00 0.00 33.01 30.02 3koy s GLN 73 CO 0.42 0.25 1.13 -1.25 -0.25 0.00 0.00 175.29 175.59 3koy s PRO 74 N 0.28 -0.70 0.02 2.91 0.04 -1.26 0.18 135.00 136.46 3koy s PRO 74 Ca -0.08 -0.02 -0.20 0.00 0.04 0.00 0.00 61.00 60.74 3koy s PRO 74 Cb -0.15 -1.65 -0.18 0.00 0.04 0.00 0.00 34.50 32.56 3koy s PRO 74 CO 0.05 -3.37 1.22 -0.07 0.04 0.00 0.00 177.00 174.87 3koy h LEU 75 N -2.34 0.43-10.14 -3.56 3.38 -1.88 -3.32 115.31 97.88 3koy h LEU 75 Ca -0.46 -0.61 -0.51 0.00 0.09 0.00 0.00 57.88 56.38 3koy h LEU 75 Cb 1.29 -0.12 0.10 0.00 0.09 0.00 0.00 40.66 42.02 3koy h LEU 75 CO 0.39 0.97 0.41 -2.84 0.09 0.00 0.00 178.44 177.46 3koy s PRO 76 N -3.79 2.90 0.09 1.13 0.02 -1.26 -4.49 135.00 129.61 3koy s PRO 76 Ca -0.14 1.60 -0.31 0.00 0.02 0.00 0.00 61.00 62.17 3koy s PRO 76 Cb 0.04 -1.94 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 3koy s PRO 76 CO 0.78 -1.21 1.32 0.08 -0.33 0.00 0.00 177.00 177.63 3koy s VAL 77 N -1.96 3.60 -0.17 3.83 1.01 -0.99 -4.78 120.40 120.93 3koy s VAL 77 Ca 0.72 1.15 -0.08 0.00 0.00 0.00 0.00 61.98 63.76 3koy s VAL 77 Cb -0.25 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3koy s VAL 77 CO 0.36 0.09 0.10 -0.63 0.00 0.00 0.00 175.10 175.01 3koy s ILE 78 N 1.13 5.11 -0.05 2.22 -1.09 -1.26 -0.00 121.20 127.26 3koy s ILE 78 Ca 0.62 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 59.14 3koy s ILE 78 Cb -0.34 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 3koy s ILE 78 CO 0.30 0.48 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.51 3koy s THR 79 N 0.09 3.48 0.02 2.92 2.01 -0.67 -2.13 115.64 121.36 3koy s THR 79 Ca 0.07 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.51 3koy s THR 79 Cb -0.12 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 3koy s THR 79 CO -0.00 0.56 -0.14 0.28 -0.69 0.00 0.00 174.62 174.63 3koy s THR 80 N -0.82 1.10 -0.25 -0.82 -1.32 -0.08 -2.42 115.64 111.03 3koy s THR 80 Ca 0.13 -0.86 -0.10 0.00 -1.21 0.00 0.00 61.69 59.65 3koy s THR 80 Cb -0.11 -0.97 -0.05 0.00 -1.51 0.00 0.00 72.50 69.86 3koy s THR 80 CO 0.02 0.11 0.14 -1.61 -2.21 0.00 0.00 174.62 171.07 3koy s GLU 81 N -0.86 3.95 -0.27 7.08 2.02 -1.26 -0.73 118.70 128.61 3koy s GLU 81 Ca 0.03 -0.33 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 3koy s GLU 81 Cb -0.07 -3.51 0.09 0.00 0.10 0.00 0.00 34.13 30.74 3koy s GLU 81 CO 0.01 -0.04 0.10 0.42 0.02 0.00 0.00 175.26 175.76 3koy s ILE 82 N 1.33 0.43 -0.29 -1.63 1.01 0.93 -4.91 121.20 118.07 3koy s ILE 82 Ca 0.07 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3koy s ILE 82 Cb -0.15 -1.25 0.13 0.00 0.01 0.00 0.00 42.46 41.21 3koy s ILE 82 CO 0.06 -0.59 0.62 0.00 0.00 0.00 0.00 174.94 175.03 3koy s ALA 83 N 1.86 -1.98 0.00 9.38 0.00 -1.26 -4.37 121.76 125.39 3koy s ALA 83 Ca 0.07 2.17 0.00 0.00 0.00 0.00 0.00 51.96 54.20 3koy s ALA 83 Cb -0.17 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.16 3koy s ALA 83 CO -0.25 -0.98 0.00 -1.13 0.00 0.00 0.00 175.76 173.40 3koy n SER 84 N 5.44 2.82 0.00 0.00 3.41 -1.26 -4.56 113.62 119.47 3koy n SER 84 Ca -0.10 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3koy n SER 84 Cb 0.49 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 3koy n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3koy n GLY 85 N 1.81 1.43 2.72 5.00 0.00 -1.22 -4.68 105.19 110.25 3koy n GLY 85 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.31 1.09 0.47 1.61 0.52 -1.26 -0.79 118.95 120.29 3koy s ARG 86 Ca 0.00 -1.70 0.30 0.00 -0.52 0.00 0.00 55.73 53.81 3koy s ARG 86 Cb 0.00 -2.22 1.39 0.00 0.52 0.00 0.00 34.95 34.65 3koy s ARG 86 CO 0.00 -1.11 1.74 0.27 0.02 0.00 0.00 175.30 176.22 3koy h PHE 87 N 7.16 0.32 0.00 -0.53 -5.15 -1.95 -0.91 116.94 115.89 3koy h PHE 87 Ca -0.04 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.74 3koy h PHE 87 Cb 0.96 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 37.04 3koy h PHE 87 CO 0.44 -0.02 0.00 -0.85 -2.00 0.00 0.00 178.31 175.88 3koy n GLU 88 N -4.41 0.12 -0.10 6.09 0.00 -1.26 -1.41 120.64 119.68 3koy n GLU 88 Ca 0.29 0.27 -0.24 0.00 0.00 0.00 0.00 57.16 57.48 3koy n GLU 88 Cb 1.23 -1.70 -0.12 0.00 0.00 0.00 0.00 31.44 30.85 3koy n GLU 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3koy n ASP 89 N -1.92 1.95 -0.35 -1.84 8.00 -0.37 -4.34 116.55 117.68 3koy n ASP 89 Ca 0.04 0.30 0.37 0.00 0.71 0.00 0.00 54.79 56.21 3koy n ASP 89 Cb 0.27 -0.85 0.74 0.00 -0.02 0.00 0.00 41.12 41.26 3koy n ASP 89 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3koy h ASP 90 N -0.70 0.00 -0.39 -2.24 3.32 -1.22 0.88 116.42 116.07 3koy h ASP 90 Ca -0.49 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 3koy h ASP 90 Cb 1.59 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.11 3koy h ASP 90 CO -0.21 0.00 0.13 0.40 -1.72 0.00 0.00 179.24 177.84 3koy h ILE 91 N 0.00 1.19 -0.01 0.35 2.04 -1.43 -1.02 117.51 118.63 3koy h ILE 91 Ca 0.60 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.66 3koy h ILE 91 Cb 2.51 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 3koy h ILE 91 CO -0.01 0.25 -0.56 0.03 0.00 0.00 0.00 178.15 177.86 3koy h ARG 92 N 0.66 0.03 0.04 2.37 3.08 0.56 -2.50 114.38 118.61 3koy h ARG 92 Ca 0.15 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.94 3koy h ARG 92 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3koy h ARG 92 CO -0.01 0.58 -1.02 -0.09 -1.07 0.00 0.00 179.97 178.37 3koy h ARG 93 N 0.02 0.35 -0.88 0.04 2.43 -1.32 -2.88 114.38 112.15 3koy h ARG 93 Ca -0.00 -0.43 0.02 0.00 -0.81 0.00 0.00 59.98 58.75 3koy h ARG 93 Cb 1.00 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 3koy h ARG 93 CO 0.07 1.13 0.58 0.52 -1.51 0.00 0.00 179.97 180.76 3koy h MET 94 N 0.17 1.12 -0.37 0.20 2.86 -1.01 0.26 114.93 118.16 3koy h MET 94 Ca -0.09 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3koy h MET 94 Cb 1.68 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 33.07 3koy h MET 94 CO 0.17 0.74 0.22 -0.09 1.06 0.00 0.00 176.91 179.01 3koy h ARG 95 N 1.15 0.44 0.39 1.72 2.43 -1.34 -1.79 114.38 117.38 3koy h ARG 95 Ca 0.34 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3koy h ARG 95 Cb -0.07 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3koy h ARG 95 CO -0.09 0.29 -0.44 0.52 -1.51 0.00 0.00 179.97 178.73 3koy h MET 96 N 0.45 -0.83 -0.07 0.20 2.86 -1.07 -2.91 114.93 113.55 3koy h MET 96 Ca 0.15 0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 3koy h MET 96 Cb -0.00 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3koy h MET 96 CO -0.07 -0.55 -0.05 0.00 1.06 0.00 0.00 176.91 177.30 3koy h ALA 97 N -0.56 1.78 -0.33 6.32 0.00 -0.46 -2.47 119.26 123.55 3koy h ALA 97 Ca -0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3koy h ALA 97 Cb 0.78 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3koy h ALA 97 CO -0.10 0.17 -0.40 0.00 0.00 0.00 0.00 179.25 178.92 3koy h ALA 98 N 1.85 0.67 -0.46 0.00 0.00 -1.21 -1.19 119.26 118.92 3koy h ALA 98 Ca 0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3koy h ALA 98 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3koy h ALA 98 CO 0.01 0.67 0.15 -1.49 0.00 0.00 0.00 179.25 178.59 3koy h TRP 99 N 0.66 0.68 -0.14 0.00 4.06 -1.28 -2.80 115.95 117.11 3koy h TRP 99 Ca 0.05 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3koy h TRP 99 Cb 0.97 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.92 3koy h TRP 99 CO 0.05 0.55 0.00 0.72 -3.56 0.00 0.00 178.44 176.21 3koy n HIS 100 N -4.33 0.22 0.00 0.49 8.25 -0.72 -2.19 115.22 116.94 3koy n HIS 100 Ca 0.03 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3koy n HIS 100 Cb 0.18 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 0.67 1.16 3.74 -1.41 0.00 -0.91 -4.41 105.19 104.04 3koy n GLY 101 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.03 3.55 -0.03 4.61 0.00 -0.53 -4.77 121.76 122.56 3koy s ALA 102 Ca 0.00 1.17 0.08 0.00 0.00 0.00 0.00 51.96 53.21 3koy s ALA 102 Cb 0.00 -3.50 0.14 0.00 0.00 0.00 0.00 23.12 19.76 3koy s ALA 102 CO 0.00 -0.59 1.06 -0.40 0.00 0.00 0.00 175.76 175.84 3koy n ASP 103 N 2.42 0.66 -3.37 0.00 5.75 -1.05 -4.32 116.55 116.64 3koy n ASP 103 Ca 0.06 -2.28 -0.09 0.00 -0.01 0.00 0.00 54.79 52.46 3koy n ASP 103 Cb 0.42 -0.27 -0.08 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.65 -0.80 -0.20 2.11 5.04 -0.91 0.03 115.29 119.91 3koy s HIS 104 Ca 0.13 0.84 -0.03 0.00 -1.54 0.00 0.00 55.06 54.46 3koy s HIS 104 Cb 0.13 0.02 -0.01 0.00 0.04 0.00 0.00 32.58 32.76 3koy s HIS 104 CO -0.03 -0.71 -0.06 0.42 -2.34 0.00 0.00 174.74 172.03 3koy s ILE 105 N 2.54 3.36 -0.19 0.89 -1.09 0.11 -0.91 121.20 125.92 3koy s ILE 105 Ca 0.12 -0.51 -0.03 0.00 -2.23 0.00 0.00 60.65 57.99 3koy s ILE 105 Cb -0.15 -2.50 -0.02 0.00 -1.58 0.00 0.00 42.46 38.21 3koy s ILE 105 CO -0.16 0.45 -0.05 -0.32 -1.23 0.00 0.00 174.94 173.64 3koy s MET 106 N 1.13 3.49 -0.41 2.79 1.75 0.09 -1.41 119.30 126.73 3koy s MET 106 Ca 0.01 -0.59 -0.07 0.00 -1.25 0.00 0.00 55.69 53.79 3koy s MET 106 Cb -0.15 -2.95 0.09 0.00 2.84 0.00 0.00 34.83 34.67 3koy s MET 106 CO -0.01 0.00 0.23 0.08 -0.65 0.00 0.00 175.02 174.68 3koy s VAL 107 N 0.97 3.91 0.57 10.11 1.01 0.33 -0.05 120.40 137.25 3koy s VAL 107 Ca 0.00 -1.58 -0.20 0.00 0.00 0.00 0.00 61.98 60.19 3koy s VAL 107 Cb -0.15 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3koy s VAL 107 CO 0.01 -0.54 1.29 -0.63 0.00 0.00 0.00 175.10 175.23 3koy s ILE 108 N 1.34 2.31 0.62 2.22 1.01 -1.26 -4.39 121.20 123.04 3koy s ILE 108 Ca 0.04 0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 3koy s ILE 108 Cb -0.23 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3koy s ILE 108 CO 0.00 -0.02 0.95 -0.13 0.00 0.00 0.00 174.94 175.75 3koy s ARG 109 N -3.07 3.00 0.34 2.79 0.52 -1.26 -2.11 118.95 119.17 3koy s ARG 109 Ca 0.74 0.19 -0.29 0.00 -0.52 0.00 0.00 55.73 55.86 3koy s ARG 109 Cb -0.36 -2.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.81 3koy s ARG 109 CO 0.41 -0.74 1.36 -0.08 0.02 0.00 0.00 175.30 176.27 3koy s THR 110 N -3.09 2.52 -0.27 0.02 -1.32 0.32 -4.00 115.64 109.83 3koy s THR 110 Ca 0.55 0.53 -0.32 0.00 -1.21 0.00 0.00 61.69 61.23 3koy s THR 110 Cb -0.11 -3.34 -0.14 0.00 -1.51 0.00 0.00 72.50 67.41 3koy s THR 110 CO 0.48 0.13 1.04 0.00 -2.21 0.00 0.00 174.62 174.05 3koy n ALA 111 N 0.73 -1.34 -0.98 11.08 0.00 -0.69 -1.47 120.51 127.83 3koy n ALA 111 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3koy n ALA 111 Cb 0.41 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 2.43 0.31 0.35 0.00 0.00 -1.26 -4.89 105.19 102.12 3koy n GLY 112 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.38 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 0.66 0.00 -0.64 1.61 4.15 -1.61 0.44 115.11 119.73 3koy h GLN 113 Ca 0.00 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.61 3koy h GLN 113 Cb 0.39 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 3koy h GLN 113 CO 0.00 0.00 0.50 0.77 -1.93 0.00 0.00 178.83 178.17 3koy h SER 114 N 0.00 0.00 0.85 -0.69 0.02 -1.86 -1.67 113.55 110.20 3koy h SER 114 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3koy h SER 114 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3koy h SER 114 CO -0.00 0.00 -0.51 1.41 -1.14 0.00 0.00 176.83 176.58 3koy n HIS 115 N -4.17 0.45 -1.67 3.45 8.25 0.16 -0.55 115.22 121.13 3koy n HIS 115 Ca 0.12 0.13 -0.39 0.00 -0.26 0.00 0.00 57.72 57.32 3koy n HIS 115 Cb 0.75 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 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 -3.12 1.24 -1.41 4.41 1.51 -0.63 -4.88 117.35 114.46 3koy s TYR 116 Ca 0.08 1.06 -0.14 0.00 -1.01 0.00 0.00 57.07 57.06 3koy s TYR 116 Cb 0.14 -3.80 -0.00 0.00 -0.11 0.00 0.00 41.96 38.19 3koy s TYR 116 CO 0.70 -3.06 2.33 -3.47 -1.11 0.00 0.00 175.55 170.94 3koy n ASP 117 N 13.66 4.67 0.00 2.29 2.03 -1.26 -4.28 116.55 133.67 3koy n ASP 117 Ca 0.31 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.86 3koy n ASP 117 Cb 0.51 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 4.03 4.29 3.51 0.27 0.00 -1.26 -4.99 105.19 111.05 3koy n GLY 118 Ca 0.57 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 3koy n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3koy n LEU 119 N 0.00 1.31 -4.59 0.99 4.77 -1.26 -4.99 117.00 113.22 3koy n LEU 119 Ca 0.00 0.44 -0.27 0.00 -0.03 0.00 0.00 56.01 56.15 3koy n LEU 119 Cb 0.00 -1.30 -0.11 0.00 -2.33 0.00 0.00 43.42 39.68 3koy n LEU 119 CO 0.00 -2.98 -0.31 0.27 -1.33 0.00 0.00 177.39 173.04 3koy s ILE 120 N -2.28 1.97 0.08 -0.08 -4.36 -1.26 -5.14 121.20 110.13 3koy s ILE 120 Ca 0.63 -2.04 0.04 0.00 -0.26 0.00 0.00 60.65 59.02 3koy s ILE 120 Cb -0.26 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 3koy s ILE 120 CO 0.61 -0.04 -0.12 -1.61 0.24 0.00 0.00 174.94 174.03 3koy s GLU 121 N -3.71 0.80 2.22 0.37 0.41 -1.26 -4.27 118.70 113.26 3koy s GLU 121 Ca 0.35 -1.03 0.00 0.00 -0.41 0.00 0.00 54.97 53.88 3koy s GLU 121 Cb 0.09 -0.64 0.00 0.00 -1.78 0.00 0.00 34.13 31.80 3koy s GLU 121 CO 0.17 0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.48 3koy n GLY 122 N 0.97 -1.22 2.31 -1.39 0.00 -1.21 -4.54 105.19 100.11 3koy n GLY 122 Ca -0.19 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 3koy n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3koy n THR 123 N 0.00 0.48 -2.46 2.61 -2.24 -1.26 -4.47 114.28 106.93 3koy n THR 123 Ca 0.00 -4.54 -0.35 0.00 -2.27 0.00 0.00 64.05 56.88 3koy n THR 123 Cb 0.00 -1.67 -0.03 0.00 -2.10 0.00 0.00 70.33 66.53 3koy n THR 123 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3koy s PRO 124 N -1.90 3.83 0.35 -0.78 0.02 -1.26 -2.77 135.00 132.49 3koy s PRO 124 Ca 0.38 1.50 -0.28 0.00 0.02 0.00 0.00 61.00 62.62 3koy s PRO 124 Cb 0.20 -2.24 -0.12 0.00 0.02 0.00 0.00 34.50 32.36 3koy s PRO 124 CO -0.08 -0.43 1.29 0.94 -0.33 0.00 0.00 177.00 178.38 3koy n GLN 125 N -0.71 2.11 -2.78 5.54 7.27 -1.26 -4.57 117.38 122.98 3koy n GLN 125 Ca 0.08 0.74 -0.20 0.00 0.07 0.00 0.00 57.00 57.69 3koy n GLN 125 Cb 0.51 -2.33 0.04 0.00 2.41 0.00 0.00 30.24 30.87 3koy n GLN 125 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3koy s GLY 126 N -0.34 1.84 -0.07 1.69 0.00 0.03 -4.85 107.32 105.63 3koy s GLY 126 Ca 0.56 -1.57 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 3koy s GLY 126 CO 0.62 -1.26 0.04 -1.50 0.00 0.00 0.00 173.10 171.00 3koy s ILE 127 N -2.69 0.13 -1.46 0.90 1.10 -1.26 -4.76 121.20 113.15 3koy s ILE 127 Ca 0.59 0.22 0.00 0.00 -0.51 0.00 0.00 60.65 60.95 3koy s ILE 127 Cb -0.09 -0.38 0.00 0.00 0.15 0.00 0.00 42.46 42.14 3koy s ILE 127 CO 0.38 0.17 0.00 0.61 -2.11 0.00 0.00 174.94 173.99 3koy n GLY 128 N 5.22 1.44 0.00 1.50 0.00 -1.26 -1.70 105.19 110.39 3koy n GLY 128 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.20 -2.15 3.64 -0.02 0.00 -1.26 -4.64 105.19 99.56 3koy n GLY 129 Ca -0.14 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.27 4.43 -0.39 1.61 1.01 -0.89 -3.38 120.40 120.52 3koy s VAL 130 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3koy s VAL 130 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3koy s VAL 130 CO 0.00 0.54 1.46 -2.84 0.00 0.00 0.00 175.10 174.26 3koy s PRO 131 N -0.26 3.58 -0.28 2.72 0.02 -1.26 -0.52 135.00 139.00 3koy s PRO 131 Ca 0.06 1.05 -0.29 0.00 0.02 0.00 0.00 61.00 61.85 3koy s PRO 131 Cb -0.12 -4.04 -0.01 0.00 0.02 0.00 0.00 34.50 30.35 3koy s PRO 131 CO 0.02 -1.56 1.53 0.42 -0.33 0.00 0.00 177.00 177.08 3koy s ILE 132 N 5.54 3.81 0.07 2.83 -1.09 -1.26 -4.88 121.20 126.22 3koy s ILE 132 Ca 0.64 0.89 0.02 0.00 -2.23 0.00 0.00 60.65 59.96 3koy s ILE 132 Cb -0.15 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 3koy s ILE 132 CO 0.32 -0.41 -0.07 0.42 -1.23 0.00 0.00 174.94 173.97 3koy s THR 133 N 5.22 0.56 0.56 2.92 -4.23 -1.26 -4.49 115.64 114.92 3koy s THR 133 Ca 0.67 -1.53 0.34 0.00 -1.18 0.00 0.00 61.69 59.99 3koy s THR 133 Cb -0.21 -1.17 0.50 0.00 1.34 0.00 0.00 72.50 72.96 3koy s THR 133 CO 0.29 -0.67 1.75 -0.09 -0.54 0.00 0.00 174.62 175.35 3koy h ARG 134 N 3.67 0.00 0.04 3.99 2.43 -1.89 0.06 114.38 122.67 3koy h ARG 134 Ca -0.35 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.77 3koy h ARG 134 Cb 1.18 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3koy h ARG 134 CO 0.54 0.00 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.56 3koy h LYS 135 N 0.00 0.08 -0.30 0.20 3.64 -1.85 -2.24 116.57 116.10 3koy h LYS 135 Ca 0.49 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.63 3koy h LYS 135 Cb 2.17 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 34.03 3koy h LYS 135 CO -0.01 1.06 -0.22 0.37 -2.27 0.00 0.00 179.45 178.38 3koy h GLN 136 N -0.82 0.58 -0.16 1.90 -0.00 -1.61 0.38 115.11 115.38 3koy h GLN 136 Ca -0.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.65 58.38 3koy h GLN 136 Cb 1.17 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.60 3koy h GLN 136 CO 0.04 0.76 0.04 0.28 0.00 0.00 0.00 178.83 179.96 3koy h VAL 137 N 0.51 1.19 -0.59 2.39 2.07 -1.11 -0.46 116.25 120.25 3koy h VAL 137 Ca 0.08 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3koy h VAL 137 Cb 0.67 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3koy h VAL 137 CO 0.05 0.18 0.17 0.03 0.02 0.00 0.00 177.57 178.02 3koy h ARG 138 N 0.07 0.89 0.61 1.57 3.08 -1.14 0.16 114.38 119.62 3koy h ARG 138 Ca 0.05 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3koy h ARG 138 Cb 0.25 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3koy h ARG 138 CO -0.00 0.78 -0.37 0.00 -1.07 0.00 0.00 179.97 179.30 3koy h ALA 139 N 1.32 -1.19 -0.60 0.04 0.00 -0.08 -2.51 119.26 116.24 3koy h ALA 139 Ca 0.19 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3koy h ALA 139 Cb 0.27 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3koy h ALA 139 CO -0.01 -1.16 0.37 1.96 0.00 0.00 0.00 179.25 180.42 3koy h GLN 140 N -0.92 0.71 -0.15 0.00 4.20 -0.85 -1.62 115.11 116.47 3koy h GLN 140 Ca -0.08 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 3koy h GLN 140 Cb 0.74 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3koy h GLN 140 CO 0.09 0.47 -0.34 -0.09 -0.67 0.00 0.00 178.83 178.29 3koy h ARG 141 N 0.73 0.31 -0.23 1.46 9.65 -0.74 0.62 114.38 126.17 3koy h ARG 141 Ca 0.24 -0.13 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 3koy h ARG 141 Cb 0.02 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 3koy h ARG 141 CO -0.10 0.61 0.02 -0.22 2.80 0.00 0.00 179.97 183.08 3koy h LYS 142 N 0.27 0.40 -0.49 0.20 3.64 -1.24 0.52 116.57 119.86 3koy h LYS 142 Ca 0.03 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3koy h LYS 142 Cb 0.73 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3koy h LYS 142 CO 0.06 0.55 0.24 0.00 -2.27 0.00 0.00 179.45 178.03 3koy h ALA 143 N 0.83 0.63 0.00 5.00 0.00 -0.67 -2.37 119.26 122.67 3koy h ALA 143 Ca 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3koy h ALA 143 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3koy h ALA 143 CO 0.01 0.18 -0.19 -0.07 0.00 0.00 0.00 179.25 179.18 3koy h LEU 144 N 0.64 0.00 -1.66 0.00 3.38 0.31 -0.71 115.31 117.27 3koy h LEU 144 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3koy h LEU 144 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3koy h LEU 144 CO -0.02 0.19 0.22 0.44 0.09 0.00 0.00 178.44 179.36 3koy h ASP 145 N 0.00 0.39 0.00 -0.43 5.19 -0.36 0.13 116.42 121.33 3koy h ASP 145 Ca -0.00 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3koy h ASP 145 Cb 0.35 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 3koy h ASP 145 CO 0.02 0.28 -0.02 -0.07 -3.12 0.00 0.00 179.24 176.34 3koy h LEU 146 N 0.46 0.00 -0.48 1.55 3.38 -1.02 -3.08 115.31 116.12 3koy h LEU 146 Ca 0.12 -0.86 0.09 0.00 0.09 0.00 0.00 57.88 57.33 3koy h LEU 146 Cb -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 3koy h LEU 146 CO -0.03 0.94 0.00 0.40 0.09 0.00 0.00 178.44 179.85 3koy h ILE 147 N -1.00 0.63 -0.47 1.22 2.04 -1.08 -1.28 117.51 117.57 3koy h ILE 147 Ca -0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3koy h ILE 147 Cb 0.87 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3koy h ILE 147 CO -0.00 0.02 0.25 1.05 0.00 0.00 0.00 178.15 179.47 3koy h GLU 148 N 0.12 0.64 -0.16 2.37 4.11 -0.85 -0.14 114.58 120.66 3koy h GLU 148 Ca 0.24 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.60 3koy h GLU 148 Cb 0.36 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3koy h GLU 148 CO -0.40 0.48 0.06 0.93 0.07 0.00 0.00 179.01 180.15 3koy h GLU 149 N 0.65 0.25 0.10 1.06 5.08 -1.32 -0.63 114.58 119.77 3koy h GLU 149 Ca 0.17 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3koy h GLU 149 Cb 0.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3koy h GLU 149 CO -0.03 0.35 -0.36 1.49 -1.00 0.00 0.00 179.01 179.46 3koy h GLU 150 N 0.10 -0.50 0.00 2.33 4.81 -0.02 -2.19 114.58 119.11 3koy h GLU 150 Ca 0.05 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3koy h GLU 150 Cb 0.20 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3koy h GLU 150 CO -0.00 -0.34 -0.08 -0.39 -0.73 0.00 0.00 179.01 177.47 3koy h VAL 151 N -0.52 0.27 0.00 0.32 -1.51 -1.15 -3.35 116.25 110.32 3koy h VAL 151 Ca -0.01 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3koy h VAL 151 Cb 0.52 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3koy h VAL 151 CO -0.18 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 176.84 3koy n GLY 152 N -0.34 0.76 3.19 5.19 0.00 -0.27 -1.23 105.19 112.49 3koy n GLY 152 Ca -0.01 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.79 0.35 0.27 1.61 3.52 -1.03 -4.72 118.95 117.17 3koy s ARG 153 Ca 0.00 0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 55.80 3koy s ARG 153 Cb 0.00 0.12 -0.10 0.00 -1.56 0.00 0.00 34.95 33.42 3koy s ARG 153 CO 0.00 -0.07 1.23 -1.25 -0.81 0.00 0.00 175.30 174.40 3koy s PRO 154 N 0.43 4.47 -0.14 5.12 0.04 -1.26 -4.62 135.00 139.03 3koy s PRO 154 Ca -0.02 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 63.00 3koy s PRO 154 Cb -0.04 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 3koy s PRO 154 CO -0.02 -0.06 -0.02 0.42 0.04 0.00 0.00 177.00 177.36 3koy s ILE 155 N -0.78 4.08 -0.27 0.56 1.01 -1.26 -4.92 121.20 119.63 3koy s ILE 155 Ca 0.49 -0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.59 3koy s ILE 155 Cb -0.36 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.34 3koy s ILE 155 CO 0.44 0.51 0.87 0.20 0.00 0.00 0.00 174.94 176.96 3koy s ASN 156 N 0.10 6.83 -0.10 3.58 0.01 0.10 -4.94 114.94 120.52 3koy s ASN 156 Ca 0.01 0.97 -0.15 0.00 -0.71 0.00 0.00 52.86 52.98 3koy s ASN 156 Cb -0.13 -2.45 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 3koy s ASN 156 CO 0.02 -0.60 0.38 -0.47 -1.51 0.00 0.00 177.10 174.92 3koy s TYR 157 N 3.00 3.56 -0.06 2.20 5.04 -1.26 -0.71 117.35 129.12 3koy s TYR 157 Ca 0.36 0.81 -0.04 0.00 -2.44 0.00 0.00 57.07 55.76 3koy s TYR 157 Cb -0.15 -2.38 0.03 0.00 0.35 0.00 0.00 41.96 39.82 3koy s TYR 157 CO 0.09 0.36 0.15 -1.58 -1.34 0.00 0.00 175.55 173.23 3koy s HIS 158 N -0.01 -0.17 0.00 4.97 5.65 -0.50 -1.04 115.29 124.18 3koy s HIS 158 Ca 0.22 0.46 0.00 0.00 0.25 0.00 0.00 55.06 55.98 3koy s HIS 158 Cb -0.15 -0.02 0.00 0.00 -1.18 0.00 0.00 32.58 31.24 3koy s HIS 158 CO 0.09 -0.13 0.00 0.45 -0.65 0.00 0.00 174.74 174.50 3koy n SER 159 N 3.69 0.00 -4.39 9.88 2.88 -1.10 -0.51 113.62 124.06 3koy n SER 159 Ca -0.20 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.03 3koy n SER 159 Cb 0.55 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.87 3koy n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3koy s TYR 160 N -0.81 2.45 -0.11 0.66 2.02 -1.26 -1.82 117.35 118.47 3koy s TYR 160 Ca 0.00 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3koy s TYR 160 Cb 0.00 -1.47 0.03 0.00 -0.40 0.00 0.00 41.96 40.12 3koy s TYR 160 CO 0.00 0.13 0.91 0.28 -1.57 0.00 0.00 175.55 175.30 3koy n VAL 161 N 1.94 0.75 -1.31 0.71 0.31 -0.69 -4.93 118.33 115.11 3koy n VAL 161 Ca -0.16 -0.88 -0.30 0.00 -0.01 0.00 0.00 64.34 62.98 3koy n VAL 161 Cb 0.52 0.63 0.10 0.00 -0.91 0.00 0.00 33.84 34.18 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 -0.78 4.21 0.00 4.52 0.01 -1.26 -4.14 113.70 116.26 3koy s SER 162 Ca 0.02 1.61 0.00 0.00 1.31 0.00 0.00 55.95 58.89 3koy s SER 162 Cb 0.01 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.92 3koy s SER 162 CO 0.02 -2.19 0.00 0.61 0.41 0.00 0.00 173.24 172.08 3koy n GLY 163 N -1.37 0.32 0.34 3.44 0.00 -1.26 -4.61 105.19 102.04 3koy n GLY 163 Ca 0.08 -2.26 0.14 0.00 0.00 0.00 0.00 46.02 43.97 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 1.09 0.00 -2.38 1.61 0.24 0.28 -3.98 118.33 115.19 3koy n VAL 164 Ca 0.00 -0.18 -0.21 0.00 -2.04 0.00 0.00 64.34 61.91 3koy n VAL 164 Cb 0.00 0.40 0.02 0.00 -1.47 0.00 0.00 33.84 32.79 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 -0.29 4.59 0.07 2.33 0.00 -1.26 -4.84 120.51 121.12 3koy n ALA 165 Ca 0.16 -3.84 -0.12 0.00 0.00 0.00 0.00 53.44 49.64 3koy n ALA 165 Cb 0.34 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 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 2.50 -0.53 0.70 0.00 0.00 -1.72 -1.57 103.07 102.45 3koy h GLY 166 Ca 0.23 0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.99 3koy h GLY 166 CO 0.71 -0.23 0.30 -2.55 0.00 0.00 0.00 176.54 174.76 3koy h PRO 167 N -0.48 0.55 0.28 4.80 0.11 -1.87 0.33 132.00 135.72 3koy h PRO 167 Ca 0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 3koy h PRO 167 Cb 0.56 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 3koy h PRO 167 CO -0.25 0.36 -0.47 -0.44 -0.21 0.00 0.00 178.00 176.99 3koy h ASP 168 N 0.56 -1.37 -0.79 -2.05 3.45 -1.89 -1.74 116.42 112.60 3koy h ASP 168 Ca 0.25 0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.80 3koy h ASP 168 Cb 0.16 0.48 -0.04 0.00 -0.56 0.00 0.00 39.33 39.37 3koy h ASP 168 CO -0.17 -0.56 0.34 0.40 -1.57 0.00 0.00 179.24 177.69 3koy h ILE 169 N -0.80 1.26 -0.52 0.35 2.04 -0.94 -2.78 117.51 116.12 3koy h ILE 169 Ca -0.03 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.11 3koy h ILE 169 Cb 0.75 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3koy h ILE 169 CO -0.16 0.32 0.25 0.00 0.00 0.00 0.00 178.15 178.55 3koy h ALA 170 N 1.18 0.66 0.23 1.87 0.00 -0.22 0.35 119.26 123.33 3koy h ALA 170 Ca 0.27 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3koy h ALA 170 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3koy h ALA 170 CO -0.03 -0.11 -0.41 0.28 0.00 0.00 0.00 179.25 178.99 3koy h VAL 171 N 0.48 0.00 -0.26 0.00 2.07 -1.04 0.12 116.25 117.61 3koy h VAL 171 Ca 0.23 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.82 3koy h VAL 171 Cb 0.17 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.86 3koy h VAL 171 CO -0.18 0.00 -0.31 -0.03 0.02 0.00 0.00 177.57 177.08 3koy h MET 172 N -0.68 -0.30 -0.62 1.57 -1.53 -1.37 0.81 114.93 112.82 3koy h MET 172 Ca -0.02 0.02 0.10 0.00 -3.44 0.00 0.00 59.70 56.35 3koy h MET 172 Cb 0.64 0.07 -0.11 0.00 -0.55 0.00 0.00 31.60 31.64 3koy h MET 172 CO -0.15 -0.20 -0.40 0.74 0.14 0.00 0.00 176.91 177.04 3koy h PHE 173 N -0.31 -1.17 -0.32 1.39 -1.00 -0.85 -0.28 116.94 114.41 3koy h PHE 173 Ca 0.13 0.08 0.06 0.00 2.81 0.00 0.00 57.97 61.06 3koy h PHE 173 Cb 0.52 0.60 -0.06 0.00 3.61 0.00 0.00 35.95 40.62 3koy h PHE 173 CO -0.46 -0.41 -0.07 0.00 -1.61 0.00 0.00 178.31 175.77 3koy h ALA 174 N 0.79 0.22 0.02 2.45 0.00 0.48 -2.28 119.26 120.94 3koy h ALA 174 Ca 0.21 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.26 3koy h ALA 174 Cb 0.56 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3koy h ALA 174 CO -0.71 -0.45 -0.25 0.93 0.00 0.00 0.00 179.25 178.77 3koy h GLU 175 N 0.01 -0.39 -0.14 0.00 5.08 0.09 -2.90 114.58 116.34 3koy h GLU 175 Ca 0.15 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3koy h GLU 175 Cb 0.23 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3koy h GLU 175 CO -0.31 -0.26 0.00 0.39 -1.00 0.00 0.00 179.01 177.83 3koy n GLU 176 N -5.37 1.34 -2.71 2.33 -0.58 -0.21 -4.83 120.64 110.62 3koy n GLU 176 Ca -0.05 -0.53 -0.08 0.00 -0.42 0.00 0.00 57.16 56.08 3koy n GLU 176 Cb 0.28 -1.15 0.04 0.00 -0.57 0.00 0.00 31.44 30.04 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 0.77 0.20 3.62 0.62 0.00 -1.00 -4.66 105.19 104.73 3koy n GLY 177 Ca 0.06 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.14 4.83 -0.38 1.61 1.01 -0.89 -4.79 120.40 118.65 3koy s VAL 178 Ca 0.08 1.22 0.22 0.00 0.00 0.00 0.00 61.98 63.51 3koy s VAL 178 Cb -0.04 -4.11 0.25 0.00 0.00 0.00 0.00 36.38 32.49 3koy s VAL 178 CO 0.30 -0.19 1.49 0.78 0.00 0.00 0.00 175.10 177.48 3koy h ASN 179 N 8.03 0.00 -5.03 3.32 4.21 -1.35 -3.45 115.58 121.32 3koy h ASN 179 Ca -0.24 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.13 3koy h ASN 179 Cb 1.10 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 38.11 3koy h ASN 179 CO 0.87 0.05 -0.50 -0.83 -1.29 0.00 0.00 177.43 175.72 3koy s GLY 180 N -4.26 0.10 -0.17 2.83 0.00 -0.95 -2.13 107.32 102.74 3koy s GLY 180 Ca 0.05 -0.31 -0.20 0.00 0.00 0.00 0.00 44.72 44.26 3koy s GLY 180 CO 0.70 -0.45 0.54 0.00 0.00 0.00 0.00 173.10 173.89 3koy s ALA 181 N -1.91 -1.35 0.44 3.20 0.00 0.12 -2.73 121.76 119.53 3koy s ALA 181 Ca -0.11 1.40 -0.26 0.00 0.00 0.00 0.00 51.96 53.00 3koy s ALA 181 Cb -0.05 -0.70 -0.09 0.00 0.00 0.00 0.00 23.12 22.29 3koy s ALA 181 CO -0.01 -0.27 1.42 -1.01 0.00 0.00 0.00 175.76 175.89 3koy s HIS 182 N -0.04 2.50 -0.30 0.00 3.76 -0.76 -1.67 115.29 118.79 3koy s HIS 182 Ca -0.03 1.27 -0.08 0.00 -0.15 0.00 0.00 55.06 56.07 3koy s HIS 182 Cb -0.04 -3.91 0.18 0.00 1.11 0.00 0.00 32.58 29.93 3koy s HIS 182 CO 0.02 -2.86 0.84 -1.14 -0.85 0.00 0.00 174.74 170.75 3koy s GLN 183 N -2.39 0.37 -0.07 1.40 -0.44 -0.82 -1.70 119.66 116.01 3koy s GLN 183 Ca 0.60 0.68 -0.03 0.00 -2.50 0.00 0.00 55.36 54.11 3koy s GLN 183 Cb -0.43 0.38 0.04 0.00 -1.64 0.00 0.00 33.01 31.36 3koy s GLN 183 CO 0.56 -0.38 0.13 0.34 0.50 0.00 0.00 175.29 176.44 3koy s ASP 184 N 2.88 0.63 0.22 6.67 -1.08 -1.26 -4.65 116.67 120.08 3koy s ASP 184 Ca 0.08 0.26 -0.03 0.00 -0.52 0.00 0.00 52.55 52.34 3koy s ASP 184 Cb -0.12 0.15 0.21 0.00 -1.46 0.00 0.00 42.92 41.70 3koy s ASP 184 CO -0.16 -0.22 1.63 -0.65 0.52 0.00 0.00 175.17 176.29 3koy h PRO 185 N 8.11 0.70 -0.78 4.34 0.11 -1.98 -2.62 132.00 139.88 3koy h PRO 185 Ca -0.21 -0.30 0.12 0.00 0.11 0.00 0.00 66.00 65.73 3koy h PRO 185 Cb 1.12 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 3koy h PRO 185 CO 0.22 0.89 0.38 1.96 -0.21 0.00 0.00 178.00 181.24 3koy h GLN 186 N 0.60 0.57 -0.32 1.05 4.20 -1.96 0.14 115.11 119.38 3koy h GLN 186 Ca 0.08 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.82 3koy h GLN 186 Cb 0.77 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.35 3koy h GLN 186 CO 0.06 0.38 -0.15 -0.92 -0.67 0.00 0.00 178.83 177.53 3koy h TYR 187 N 0.59 -0.36 -0.64 2.96 3.20 -1.83 0.16 116.97 121.05 3koy h TYR 187 Ca 0.41 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.41 3koy h TYR 187 Cb 0.52 0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.92 3koy h TYR 187 CO -0.11 -0.22 0.24 -0.91 -1.64 0.00 0.00 178.16 175.51 3koy h ASN 188 N -0.10 0.23 0.04 -2.11 2.35 -0.67 -2.78 115.58 112.55 3koy h ASN 188 Ca 0.17 0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 3koy h ASN 188 Cb 0.35 0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.79 3koy h ASN 188 CO -0.39 0.13 -0.43 0.58 -1.65 0.00 0.00 177.43 175.67 3koy h VAL 189 N 0.42 1.56 0.08 2.81 2.07 -0.53 -2.49 116.25 120.16 3koy h VAL 189 Ca 0.33 -2.22 -0.00 0.00 0.82 0.00 0.00 66.70 65.63 3koy h VAL 189 Cb 0.42 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3koy h VAL 189 CO -0.33 0.61 -0.04 -0.07 0.02 0.00 0.00 177.57 177.77 3koy h LEU 190 N -0.48 -0.09 0.00 2.57 3.38 -1.00 -3.10 115.31 116.59 3koy h LEU 190 Ca -0.07 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3koy h LEU 190 Cb 1.25 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3koy h LEU 190 CO 0.08 0.30 -1.56 -1.22 0.09 0.00 0.00 178.44 176.13 3koy n TYR 191 N -4.96 0.10 0.08 1.13 4.01 -1.05 -4.33 117.16 112.13 3koy n TYR 191 Ca -0.08 0.03 0.02 0.00 -0.16 0.00 0.00 57.90 57.71 3koy n TYR 191 Cb 0.22 -0.40 0.04 0.00 -0.31 0.00 0.00 39.34 38.89 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 -2.06 1.07 -4.16 -0.72 5.12 -1.17 -5.00 116.66 109.75 3koy n ARG 192 Ca -0.01 -1.19 -0.36 0.00 -1.93 0.00 0.00 57.85 54.36 3koy n ARG 192 Cb 0.49 -1.10 -0.04 0.00 -1.16 0.00 0.00 32.46 30.65 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 0.12 -2.70 -4.78 0.55 5.15 -1.17 -4.82 115.26 107.62 3koy n ASN 193 Ca 0.04 -0.95 -0.37 0.00 -0.60 0.00 0.00 54.58 52.69 3koy n ASN 193 Cb 0.21 -2.26 -0.05 0.00 -0.53 0.00 0.00 39.78 37.14 3koy n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3koy s ILE 194 N -3.16 3.97 0.03 -1.44 1.01 -0.95 -1.54 121.20 119.13 3koy s ILE 194 Ca 0.71 1.65 -0.34 0.00 0.00 0.00 0.00 60.65 62.67 3koy s ILE 194 Cb -0.40 -3.92 -0.13 0.00 0.01 0.00 0.00 42.46 38.02 3koy s ILE 194 CO 0.87 0.14 1.70 -3.20 0.00 0.00 0.00 174.94 174.45 3koy n ASN 195 N 0.49 3.12 -0.19 3.58 2.85 -0.20 -4.26 115.26 120.65 3koy n ASN 195 Ca 0.02 1.04 -0.02 0.00 -0.11 0.00 0.00 54.58 55.51 3koy n ASN 195 Cb 0.49 -1.38 0.19 0.00 1.24 0.00 0.00 39.78 40.33 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 7.27 0.95 -0.06 1.20 -0.00 -1.82 0.36 114.93 122.84 3koy h MET 196 Ca -0.47 -0.13 -0.00 0.00 -0.00 0.00 0.00 59.70 59.10 3koy h MET 196 Cb 1.27 -0.18 -0.00 0.00 -0.00 0.00 0.00 31.60 32.69 3koy h MET 196 CO 0.91 0.75 0.03 0.82 -0.00 0.00 0.00 176.91 179.41 3koy h ILE 197 N 0.95 1.14 -0.61 -0.10 2.04 -1.90 -2.51 117.51 116.51 3koy h ILE 197 Ca 0.23 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 3koy h ILE 197 Cb 0.12 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3koy h ILE 197 CO -0.03 0.12 0.21 -0.09 0.00 0.00 0.00 178.15 178.36 3koy h ARG 198 N -0.05 0.91 -0.10 2.37 9.65 -1.68 -2.83 114.38 122.65 3koy h ARG 198 Ca 0.02 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 3koy h ARG 198 Cb 0.17 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 3koy h ARG 198 CO -0.00 0.77 0.06 1.03 2.80 0.00 0.00 179.97 184.63 3koy h SER 199 N 0.89 0.12 0.61 -3.80 0.87 -0.09 -2.03 113.55 110.11 3koy h SER 199 Ca 0.20 -0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.54 3koy h SER 199 Cb 0.23 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3koy h SER 199 CO -0.01 0.15 -0.74 -0.26 -0.53 0.00 0.00 176.83 175.44 3koy h PHE 200 N 0.08 0.14 -0.17 2.24 -1.00 -1.42 -2.59 116.94 114.22 3koy h PHE 200 Ca 0.03 -0.07 -0.20 0.00 2.81 0.00 0.00 57.97 60.54 3koy h PHE 200 Cb 0.05 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 39.60 3koy h PHE 200 CO -0.05 0.80 -0.68 0.82 -1.61 0.00 0.00 178.31 177.59 3koy h ILE 201 N 0.07 1.29 -0.45 -0.55 2.04 -1.49 -2.85 117.51 115.58 3koy h ILE 201 Ca -0.02 -1.89 0.10 0.00 1.00 0.00 0.00 64.86 64.06 3koy h ILE 201 Cb 1.30 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 3koy h ILE 201 CO 0.10 0.60 0.31 0.44 0.00 0.00 0.00 178.15 179.60 3koy h ASP 202 N 0.49 0.12 -0.12 1.72 5.19 -1.36 -3.08 116.42 119.38 3koy h ASP 202 Ca -0.04 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.15 3koy h ASP 202 Cb 1.31 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.81 3koy h ASP 202 CO 0.14 0.07 -0.79 0.00 -3.12 0.00 0.00 179.24 175.54 3koy h ALA 203 N 1.78 0.31 -0.43 3.45 0.00 -1.22 -2.25 119.26 120.90 3koy h ALA 203 Ca 0.21 -0.61 0.09 0.00 0.00 0.00 0.00 54.91 54.60 3koy h ALA 203 Cb 0.65 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 3koy h ALA 203 CO -0.03 0.69 -0.12 0.00 0.00 0.00 0.00 179.25 179.79 3koy h GLU 205 N -0.02 -1.18 -0.60 0.00 4.57 -1.62 -0.54 114.58 115.20 3koy h GLU 205 Ca 0.21 0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.54 3koy h GLU 205 Cb 0.33 0.27 -0.10 0.00 -0.16 0.00 0.00 28.75 29.09 3koy h GLU 205 CO -0.46 -0.78 -0.53 0.77 -1.18 0.00 0.00 179.01 176.83 3koy h SER 206 N -1.31 -1.81 -0.55 1.04 0.02 -1.16 0.40 113.55 110.18 3koy h SER 206 Ca -0.12 0.27 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 3koy h SER 206 Cb 0.94 0.78 -0.07 0.00 0.14 0.00 0.00 62.40 64.18 3koy h SER 206 CO 0.20 -0.35 0.14 0.11 -1.14 0.00 0.00 176.83 175.80 3koy h LYS 207 N -0.26 0.28 -0.69 3.45 1.57 0.14 -0.70 116.57 120.36 3koy h LYS 207 Ca 0.13 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3koy h LYS 207 Cb 0.55 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3koy h LYS 207 CO -0.71 0.18 0.46 1.15 -0.57 0.00 0.00 179.45 179.96 3koy h THR 208 N 0.29 1.18 -0.10 -0.16 2.02 0.46 0.91 112.91 117.51 3koy h THR 208 Ca 0.28 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 3koy h THR 208 Cb 0.38 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3koy h THR 208 CO -0.34 0.17 -0.10 0.40 0.37 0.00 0.00 175.52 176.02 3koy h ILE 209 N 0.93 1.36 -0.64 3.11 2.04 -0.23 -2.62 117.51 121.47 3koy h ILE 209 Ca 0.25 -1.27 0.07 0.00 1.00 0.00 0.00 64.86 64.92 3koy h ILE 209 Cb -0.11 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 3koy h ILE 209 CO -0.06 0.36 0.42 0.24 0.00 0.00 0.00 178.15 179.12 3koy h MET 210 N -0.18 0.57 -0.00 2.37 2.86 -0.80 -1.64 114.93 118.11 3koy h MET 210 Ca 0.01 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 3koy h MET 210 Cb 0.62 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3koy h MET 210 CO 0.02 0.38 -0.67 0.00 1.06 0.00 0.00 176.91 177.70 3koy h ALA 211 N 1.66 0.88 -0.41 6.32 0.00 -0.76 -1.36 119.26 125.59 3koy h ALA 211 Ca 0.28 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3koy h ALA 211 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3koy h ALA 211 CO -0.09 0.83 -0.05 2.35 0.00 0.00 0.00 179.25 182.29 3koy h TRP 212 N 0.02 0.84 -0.01 0.00 7.01 -0.94 -2.94 115.95 119.93 3koy h TRP 212 Ca -0.01 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 60.83 3koy h TRP 212 Cb 1.19 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.04 3koy h TRP 212 CO 0.00 0.86 0.00 0.00 -2.79 0.00 0.00 178.44 176.51 3koy n ALA 213 N -2.43 2.57 -3.90 2.65 0.00 -0.73 -4.86 120.51 113.80 3koy n ALA 213 Ca -0.01 -0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.05 3koy n ALA 213 Cb 0.33 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.59 3koy n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3koy n ASP 214 N -0.66 -3.36 -4.83 0.00 2.03 -1.09 -3.54 116.55 105.09 3koy n ASP 214 Ca 0.10 -0.83 -0.35 0.00 0.52 0.00 0.00 54.79 54.22 3koy n ASP 214 Cb 0.06 -3.73 -0.06 0.00 -0.72 0.00 0.00 41.12 36.66 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 -6.50 4.08 0.35 -0.67 -1.94 -0.53 -1.33 119.30 112.76 3koy s MET 215 Ca 0.45 0.65 -0.25 0.00 -1.71 0.00 0.00 55.69 54.83 3koy s MET 215 Cb -0.23 -2.84 -0.10 0.00 2.01 0.00 0.00 34.83 33.67 3koy s MET 215 CO 0.84 0.40 0.99 0.00 -0.01 0.00 0.00 175.02 177.24 3koy s ALA 216 N -1.56 3.18 -0.07 3.03 0.00 -0.90 -4.78 121.76 120.65 3koy s ALA 216 Ca 0.42 0.60 0.05 0.00 0.00 0.00 0.00 51.96 53.03 3koy s ALA 216 Cb -0.15 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3koy s ALA 216 CO 0.20 0.03 -0.23 -1.14 0.00 0.00 0.00 175.76 174.62 3koy s GLN 217 N -2.20 2.67 -0.11 0.00 0.74 0.34 -0.70 119.66 120.40 3koy s GLN 217 Ca 0.53 -0.87 -0.03 0.00 0.05 0.00 0.00 55.36 55.04 3koy s GLN 217 Cb -0.20 -2.23 -0.03 0.00 1.10 0.00 0.00 33.01 31.64 3koy s GLN 217 CO 0.26 0.37 0.03 0.42 -0.55 0.00 0.00 175.29 175.81 3koy s ILE 218 N -0.11 4.53 0.56 -2.34 1.01 -0.67 -0.33 121.20 123.85 3koy s ILE 218 Ca -0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 3koy s ILE 218 Cb -0.14 -2.94 0.12 0.00 0.01 0.00 0.00 42.46 39.52 3koy s ILE 218 CO 0.04 0.59 0.76 -0.90 0.00 0.00 0.00 174.94 175.43 3koy n ASP 219 N 2.34 0.31 -0.48 3.58 5.68 -0.94 -1.94 116.55 125.09 3koy n ASP 219 Ca -0.19 -1.43 0.04 0.00 -0.50 0.00 0.00 54.79 52.72 3koy n ASP 219 Cb 0.54 -0.56 0.11 0.00 -1.14 0.00 0.00 41.12 40.07 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 -0.20 2.66 0.34 6.12 0.00 -1.26 -4.56 105.19 108.29 3koy n GLY 223 Ca 0.10 -0.29 0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 1.56 1.37 0.00 4.61 0.00 -1.91 -1.06 119.26 123.83 3koy h ALA 224 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3koy h ALA 224 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3koy h ALA 224 CO 0.00 -0.21 0.00 -2.39 0.00 0.00 0.00 179.25 176.65 3koy n HIS 225 N -3.24 0.00 0.18 0.00 1.44 -1.25 -1.59 115.22 110.75 3koy n HIS 225 Ca -0.01 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.74 3koy n HIS 225 Cb 0.26 -0.48 0.30 0.00 0.12 0.00 0.00 29.99 30.18 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 -0.75 4.39 2.35 -1.57 -3.11 115.58 116.89 3koy h ASN 226 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3koy h ASN 226 Cb 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3koy h ASN 226 CO 0.00 0.42 0.32 0.00 -1.65 0.00 0.00 177.43 176.52 3koy h ALA 227 N 1.58 1.13 0.37 -0.83 0.00 -1.49 -1.10 119.26 118.92 3koy h ALA 227 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3koy h ALA 227 Cb 0.95 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3koy h ALA 227 CO 0.05 0.63 -0.38 -0.91 0.00 0.00 0.00 179.25 178.65 3koy h ASN 228 N 1.10 -1.03 -0.82 0.00 4.21 -1.68 -2.17 115.58 115.19 3koy h ASN 228 Ca 0.26 0.09 0.15 0.00 1.21 0.00 0.00 56.30 58.00 3koy h ASN 228 Cb 0.18 0.35 -0.10 0.00 -1.12 0.00 0.00 38.32 37.63 3koy h ASN 228 CO -0.02 -0.52 0.39 0.00 -1.29 0.00 0.00 177.43 175.99 3koy h ALA 229 N -0.35 1.21 -0.18 -0.83 0.00 -1.41 -2.63 119.26 115.07 3koy h ALA 229 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3koy h ALA 229 Cb 0.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3koy h ALA 229 CO -0.07 -0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.29 3koy n THR 230 N -4.92 0.22 -2.74 0.00 -2.24 -0.47 -4.90 114.28 99.23 3koy n THR 230 Ca 0.16 -0.43 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 3koy n THR 230 Cb 0.44 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.78 3.01 -0.03 6.98 0.00 -0.82 -4.99 121.76 124.12 3koy s ALA 231 Ca 0.34 0.47 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 3koy s ALA 231 Cb 0.19 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 20.03 3koy s ALA 231 CO 0.29 0.01 0.76 0.00 0.00 0.00 0.00 175.76 176.82 3koy h ARG 232 N 1.91 -0.56 -4.83 0.00 2.47 -1.88 -3.42 114.38 108.07 3koy h ARG 232 Ca -0.49 0.04 -0.68 0.00 -1.26 0.00 0.00 59.98 57.59 3koy h ARG 232 Cb 1.19 0.13 -0.27 0.00 -1.65 0.00 0.00 29.97 29.36 3koy h ARG 232 CO 0.61 -0.33 -0.65 -1.21 0.56 0.00 0.00 179.97 178.95 3koy s GLU 233 N -3.62 3.04 0.30 0.04 8.01 -1.26 -4.98 118.70 120.24 3koy s GLU 233 Ca -0.10 -0.88 0.23 0.00 0.01 0.00 0.00 54.97 54.24 3koy s GLU 233 Cb 0.01 -3.29 1.11 0.00 -4.31 0.00 0.00 34.13 27.65 3koy s GLU 233 CO 0.31 -0.43 1.71 0.00 0.01 0.00 0.00 175.26 176.85 3koy n ALA 234 N 4.82 1.35 1.32 5.21 0.00 -1.26 -1.94 120.51 130.02 3koy n ALA 234 Ca -0.15 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3koy n ALA 234 Cb 0.48 -1.36 0.59 0.00 0.00 0.00 0.00 19.45 19.15 3koy n ALA 234 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 3koy n TRP 235 N -2.29 0.00 0.82 0.00 2.14 -1.26 -3.01 117.44 113.83 3koy n TRP 235 Ca 0.00 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.67 3koy n TRP 235 Cb 0.14 -0.24 0.06 0.00 -0.81 0.00 0.00 31.31 30.46 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 -1.10 1.66 0.04 -2.67 5.02 -0.82 -4.56 118.16 115.73 3koy n LYS 236 Ca 0.13 -1.46 0.12 0.00 -2.02 0.00 0.00 58.31 55.08 3koy n LYS 236 Cb 0.29 -1.37 0.20 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.79 0.23 -0.08 -0.18 3.14 -1.17 -4.17 118.33 116.90 3koy n VAL 237 Ca 0.10 -0.19 -0.07 0.00 -2.96 0.00 0.00 64.34 61.22 3koy n VAL 237 Cb 0.46 -0.01 -0.00 0.00 -1.06 0.00 0.00 33.84 33.23 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 0.00 0.20 -0.67 1.45 2.86 -1.80 -1.91 114.93 115.07 3koy h MET 238 Ca 0.00 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.77 3koy h MET 238 Cb 0.67 -0.05 -0.12 0.00 0.06 0.00 0.00 31.60 32.17 3koy h MET 238 CO 0.00 0.13 -0.03 -1.35 1.06 0.00 0.00 176.91 176.73 3koy h PRO 239 N 0.21 0.09 -0.70 -0.22 0.11 -1.91 0.17 132.00 129.75 3koy h PRO 239 Ca 0.13 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 3koy h PRO 239 Cb 0.11 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 3koy h PRO 239 CO -0.15 0.06 0.35 1.49 -0.21 0.00 0.00 178.00 179.54 3koy h GLU 240 N 0.09 1.01 -0.71 1.05 4.81 -1.71 -2.60 114.58 116.53 3koy h GLU 240 Ca 0.35 -0.14 0.13 0.00 -0.13 0.00 0.00 59.36 59.57 3koy h GLU 240 Cb 0.58 -0.18 -0.13 0.00 0.63 0.00 0.00 28.75 29.64 3koy h GLU 240 CO -0.60 0.79 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.14 3koy h LEU 241 N 0.98 -0.96 -0.88 1.64 3.38 0.03 0.20 115.31 119.70 3koy h LEU 241 Ca 0.24 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.42 3koy h LEU 241 Cb 0.11 0.54 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3koy h LEU 241 CO -0.03 -0.28 0.45 0.24 0.09 0.00 0.00 178.44 178.91 3koy h MET 242 N -0.07 1.25 -0.20 1.13 2.86 -0.90 -0.95 114.93 118.05 3koy h MET 242 Ca 0.31 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3koy h MET 242 Cb 0.56 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3koy h MET 242 CO -0.76 0.94 0.07 0.28 1.06 0.00 0.00 176.91 178.50 3koy h VAL 243 N 1.25 1.18 -0.19 -2.22 2.07 -0.80 0.20 116.25 117.74 3koy h VAL 243 Ca 0.31 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 3koy h VAL 243 Cb 0.08 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3koy h VAL 243 CO -0.04 0.17 -0.33 1.56 0.02 0.00 0.00 177.57 178.95 3koy h GLN 244 N 0.16 0.39 0.46 1.57 4.20 -0.86 -1.23 115.11 119.81 3koy h GLN 244 Ca 0.07 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3koy h GLN 244 Cb 0.21 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3koy h GLN 244 CO -0.00 0.68 -0.22 0.45 -0.67 0.00 0.00 178.83 179.06 3koy h HIS 245 N 0.33 -0.57 0.50 2.96 3.86 -0.94 -2.64 115.15 118.65 3koy h HIS 245 Ca 0.04 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3koy h HIS 245 Cb 0.75 0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.39 3koy h HIS 245 CO 0.02 -0.33 -0.44 0.00 0.86 0.00 0.00 177.93 178.04 3koy h ALA 246 N -0.14 -1.00 -0.60 2.45 0.00 -0.74 -1.81 119.26 117.43 3koy h ALA 246 Ca -0.06 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.79 3koy h ALA 246 Cb 0.50 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 3koy h ALA 246 CO 0.10 -1.10 0.05 -0.07 0.00 0.00 0.00 179.25 178.23 3koy h LEU 247 N -0.93 -0.17 -1.13 0.00 3.38 -1.28 0.42 115.31 115.60 3koy h LEU 247 Ca -0.05 0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3koy h LEU 247 Cb 0.80 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3koy h LEU 247 CO -0.03 -0.07 -0.21 -1.13 0.09 0.00 0.00 178.44 177.09 3koy h ASN 248 N 0.16 0.35 0.46 -0.43 -1.24 -1.43 -2.43 115.58 111.03 3koy h ASN 248 Ca 0.31 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.20 3koy h ASN 248 Cb 0.49 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.45 3koy h ASN 248 CO -0.47 0.58 -0.22 0.28 -1.29 0.00 0.00 177.43 176.30 3koy h SER 249 N 0.33 -0.53 -0.84 1.15 0.02 0.60 -2.18 113.55 112.10 3koy h SER 249 Ca 0.06 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3koy h SER 249 Cb 0.56 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 3koy h SER 249 CO 0.04 -0.17 0.52 -0.29 -1.14 0.00 0.00 176.83 175.79 3koy h ILE 250 N -1.03 1.06 -0.27 3.27 6.09 -0.89 -1.27 117.51 124.47 3koy h ILE 250 Ca -0.06 -0.33 0.06 0.00 -1.37 0.00 0.00 64.86 63.16 3koy h ILE 250 Cb 0.48 0.01 -0.07 0.00 0.47 0.00 0.00 36.82 37.71 3koy h ILE 250 CO 0.10 0.18 -0.19 0.15 -3.07 0.00 0.00 178.15 175.32 3koy h PHE 251 N 0.97 -0.50 -0.57 2.19 3.57 -1.48 -1.64 116.94 119.48 3koy h PHE 251 Ca 0.36 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 3koy h PHE 251 Cb 0.13 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3koy h PHE 251 CO -0.03 -0.27 0.24 0.77 -2.23 0.00 0.00 178.31 176.79 3koy h SER 252 N -0.18 0.73 0.13 0.41 0.02 -0.65 -2.24 113.55 111.77 3koy h SER 252 Ca 0.15 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3koy h SER 252 Cb 0.40 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3koy h SER 252 CO -0.38 0.64 -0.06 0.25 -1.14 0.00 0.00 176.83 176.15 3koy h LEU 253 N 0.80 -0.14 -2.50 5.07 5.85 -0.78 -1.04 115.31 122.57 3koy h LEU 253 Ca 0.20 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3koy h LEU 253 Cb 0.13 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3koy h LEU 253 CO -0.02 0.28 0.00 0.11 -0.34 0.00 0.00 178.44 178.46 3koy h LYS 254 N -0.60 0.00 0.00 1.25 1.79 -1.25 0.34 116.57 118.10 3koy h LYS 254 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3koy h LYS 254 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3koy h LYS 254 CO 0.03 0.00 -0.34 0.28 -1.08 0.00 0.00 179.45 178.34 3koy h VAL 255 N 0.00 0.00 0.00 0.50 2.07 -1.07 -3.47 116.25 114.28 3koy h VAL 255 Ca 0.00 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3koy h VAL 255 Cb 0.13 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 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 1.16 1.01 3.76 2.17 0.00 0.11 -4.81 105.19 108.58 3koy n GLY 256 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3koy n GLY 256 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3koy s MET 257 N 0.00 3.34 0.26 1.61 0.00 -0.43 -4.99 119.30 119.09 3koy s MET 257 Ca 0.00 2.02 -0.30 0.00 0.00 0.00 0.00 55.69 57.42 3koy s MET 257 Cb 0.00 -2.27 -0.09 0.00 0.00 0.00 0.00 34.83 32.46 3koy s MET 257 CO 0.00 -0.96 0.98 0.15 0.00 0.00 0.00 175.02 175.19 3koy s LYS 258 N -2.88 4.78 0.20 4.11 1.02 -1.26 -4.44 119.74 121.27 3koy s LYS 258 Ca 0.69 1.56 -0.14 0.00 0.02 0.00 0.00 55.97 58.11 3koy s LYS 258 Cb -0.35 -3.22 0.21 0.00 -0.52 0.00 0.00 37.83 33.95 3koy s LYS 258 CO 0.41 0.42 1.65 0.87 -0.92 0.00 0.00 175.35 177.78 3koy h LYS 259 N 4.00 0.03 0.00 1.68 1.57 -1.94 0.20 116.57 122.11 3koy h LYS 259 Ca -0.46 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3koy h LYS 259 Cb 1.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3koy h LYS 259 CO 0.67 0.02 0.00 -1.13 -0.57 0.00 0.00 179.45 178.44 3koy n SER 260 N -5.36 0.00 -0.00 0.86 3.41 -1.26 -0.90 113.62 110.37 3koy n SER 260 Ca 0.07 -0.25 0.05 0.00 -0.26 0.00 0.00 58.87 58.48 3koy n SER 260 Cb 0.31 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.16 3koy n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3koy n ASN 261 N -1.03 1.04 -4.57 4.04 3.02 0.67 -4.83 115.26 113.60 3koy n ASN 261 Ca 0.07 -0.55 -0.43 0.00 -0.03 0.00 0.00 54.58 53.64 3koy n ASN 261 Cb 0.04 1.15 -0.05 0.00 -0.61 0.00 0.00 39.78 40.30 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 -2.27 4.67 -0.21 2.41 1.01 -0.08 -0.51 121.20 126.23 3koy s ILE 262 Ca 0.02 0.68 -0.03 0.00 0.00 0.00 0.00 60.65 61.31 3koy s ILE 262 Cb 0.08 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 3koy s ILE 262 CO 0.47 -0.59 -0.06 0.00 0.00 0.00 0.00 174.94 174.76 3koy s LEU 264 N 1.31 4.23 -0.79 0.00 1.02 -0.32 -2.22 118.68 121.90 3koy s LEU 264 Ca 0.04 1.61 -0.24 0.00 0.02 0.00 0.00 54.13 55.55 3koy s LEU 264 Cb -0.14 -3.55 0.05 0.00 0.02 0.00 0.00 46.19 42.57 3koy s LEU 264 CO -0.02 -0.55 1.22 -0.55 0.02 0.00 0.00 176.35 176.47 3koy s SER 265 N 1.30 6.26 -0.24 2.29 0.15 -1.26 0.24 113.70 122.45 3koy s SER 265 Ca 0.50 -0.89 0.01 0.00 0.70 0.00 0.00 55.95 56.27 3koy s SER 265 Cb -0.20 -2.51 0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3koy s SER 265 CO 0.17 -1.62 -0.13 0.28 1.20 0.00 0.00 173.24 173.15 3koy s THR 266 N 4.94 2.28 -0.20 6.45 -1.32 -0.03 -3.97 115.64 123.80 3koy s THR 266 Ca 0.34 -1.32 -0.07 0.00 -1.21 0.00 0.00 61.69 59.43 3koy s THR 266 Cb -0.09 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.67 3koy s THR 266 CO 0.07 0.18 0.06 -0.69 -2.21 0.00 0.00 174.62 172.03 3koy s VAL 267 N 1.20 4.58 0.21 5.08 1.01 -1.26 -1.70 120.40 129.52 3koy s VAL 267 Ca -0.03 -0.10 -0.32 0.00 0.00 0.00 0.00 61.98 61.53 3koy s VAL 267 Cb -0.17 -3.08 -0.13 0.00 0.00 0.00 0.00 36.38 33.00 3koy s VAL 267 CO -0.07 0.43 1.65 -2.65 0.00 0.00 0.00 175.10 174.45 3koy n PRO 268 N 3.94 2.55 0.17 2.72 -0.02 -1.26 -4.89 135.00 138.20 3koy n PRO 268 Ca -0.16 0.92 0.05 0.00 -2.02 0.00 0.00 63.50 62.29 3koy n PRO 268 Cb 0.52 -2.72 0.20 0.00 -0.02 0.00 0.00 33.50 31.48 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 6.11 0.00 -5.12 0.52 0.11 -1.91 -3.45 132.00 128.26 3koy h PRO 269 Ca -0.44 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.04 3koy h PRO 269 Cb 1.22 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 3koy h PRO 269 CO 0.90 0.39 -0.51 0.95 -0.21 0.00 0.00 178.00 179.52 3koy s THR 270 N -3.28 0.89 0.12 -1.15 -4.23 -1.26 -4.65 115.64 102.08 3koy s THR 270 Ca 0.02 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.48 3koy s THR 270 Cb 0.09 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 3koy s THR 270 CO 0.70 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.93 3koy s ALA 271 N -3.03 0.24 0.55 3.99 0.00 -1.26 -4.86 121.76 117.40 3koy s ALA 271 Ca 0.14 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 3koy s ALA 271 Cb 0.02 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 3koy s ALA 271 CO 0.08 -0.53 1.31 -2.30 0.00 0.00 0.00 175.76 174.32 3koy n PRO 272 N -0.09 1.58 0.00 0.00 -0.02 -1.26 -1.32 135.00 133.89 3koy n PRO 272 Ca -0.10 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.10 3koy n PRO 272 Cb 0.63 -2.51 0.74 0.00 -0.02 0.00 0.00 33.50 32.34 3koy n PRO 272 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3koy n PRO 273 N -0.99 0.70 -1.64 0.52 -0.04 -1.26 -5.08 135.00 127.21 3koy n PRO 273 Ca 0.11 0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 63.22 3koy n PRO 273 Cb 0.45 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.48 3koy n PRO 273 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3koy n ALA 274 N -1.08 0.92 -1.21 0.55 0.00 -0.43 -4.84 120.51 114.42 3koy n ALA 274 Ca 0.18 -0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.19 3koy n ALA 274 Cb 0.12 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 3koy n ALA 274 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3koy n PRO 275 N -1.99 2.11 -0.23 0.00 -0.05 -1.26 -4.76 135.00 128.81 3koy n PRO 275 Ca 0.15 -1.96 0.14 0.00 -0.05 0.00 0.00 63.50 61.78 3koy n PRO 275 Cb 0.48 -2.89 0.44 0.00 -0.05 0.00 0.00 33.50 31.48 3koy n PRO 275 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3koy h SER 276 N 6.90 0.52 0.07 3.54 4.64 -1.88 -2.35 113.55 125.00 3koy h SER 276 Ca 0.51 0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.67 3koy h SER 276 Cb 0.52 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3koy h SER 276 CO 1.82 0.26 -0.69 0.24 -0.87 0.00 0.00 176.83 177.59 3koy h MET 277 N 0.55 0.56 -0.21 4.77 2.86 -1.93 -2.02 114.93 119.51 3koy h MET 277 Ca 0.43 -0.43 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 3koy h MET 277 Cb 0.84 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 3koy h MET 277 CO -0.17 1.05 -0.42 -0.92 1.06 0.00 0.00 176.91 177.51 3koy h TYR 278 N 0.40 0.59 0.00 -0.22 3.20 -1.84 -1.40 116.97 117.70 3koy h TYR 278 Ca -0.03 -0.17 -0.18 0.00 3.14 0.00 0.00 58.73 61.49 3koy h TYR 278 Cb 1.28 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 3koy h TYR 278 CO 0.06 0.84 -0.84 -0.07 -1.64 0.00 0.00 178.16 176.51 3koy h LEU 279 N 0.41 0.00 0.00 2.82 3.38 -1.48 -3.39 115.31 117.05 3koy h LEU 279 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3koy h LEU 279 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3koy h LEU 279 CO 0.08 0.84 -1.62 0.47 0.09 0.00 0.00 178.44 178.30 3koy n ASP 280 N -3.42 2.38 0.07 -0.43 8.00 -0.77 -4.50 116.55 117.89 3koy n ASP 280 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.39 3koy n ASP 280 Cb 0.84 1.18 -0.05 0.00 -0.02 0.00 0.00 41.12 43.06 3koy n ASP 280 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3koy h LEU 281 N 0.00 -0.38 -1.76 0.64 5.85 -1.45 0.97 115.31 119.17 3koy h LEU 281 Ca -0.13 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3koy h LEU 281 Cb 1.04 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3koy h LEU 281 CO 0.01 -0.19 0.23 -0.65 -0.34 0.00 0.00 178.44 177.49 3koy h PRO 282 N -0.24 0.30 -0.07 5.25 0.11 -1.81 0.10 132.00 135.63 3koy h PRO 282 Ca 0.03 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 3koy h PRO 282 Cb 0.28 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.33 3koy h PRO 282 CO -0.10 0.20 -0.38 -0.92 -0.21 0.00 0.00 178.00 176.58 3koy h TYR 283 N 0.31 0.53 -0.86 0.65 3.20 -1.73 0.35 116.97 119.41 3koy h TYR 283 Ca 0.14 -0.23 0.21 0.00 3.14 0.00 0.00 58.73 61.99 3koy h TYR 283 Cb 0.18 -0.08 -0.12 0.00 1.54 0.00 0.00 36.73 38.24 3koy h TYR 283 CO -0.00 0.99 0.32 0.00 -1.64 0.00 0.00 178.16 177.83 3koy h ALA 284 N 0.43 1.30 -0.01 1.82 0.00 0.23 -1.61 119.26 121.41 3koy h ALA 284 Ca -0.03 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3koy h ALA 284 Cb 1.04 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3koy h ALA 284 CO 0.08 -0.36 -0.18 0.28 0.00 0.00 0.00 179.25 179.06 3koy h VAL 285 N 0.34 1.53 -0.03 0.00 2.07 -0.72 -3.08 116.25 116.35 3koy h VAL 285 Ca 0.53 -1.81 0.01 0.00 0.82 0.00 0.00 66.70 66.25 3koy h VAL 285 Cb 0.99 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 3koy h VAL 285 CO -0.55 0.49 -0.03 0.00 0.02 0.00 0.00 177.57 177.51 3koy h ALA 286 N 0.30 0.00 -0.97 1.67 0.00 -0.66 -1.04 119.26 118.57 3koy h ALA 286 Ca -0.02 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3koy h ALA 286 Cb 0.90 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3koy h ALA 286 CO 0.04 -0.51 0.63 1.25 0.00 0.00 0.00 179.25 180.65 3koy h LEU 287 N -0.03 1.02 -0.61 0.00 5.85 -1.43 0.29 115.31 120.40 3koy h LEU 287 Ca 0.02 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3koy h LEU 287 Cb 0.07 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3koy h LEU 287 CO -0.05 0.67 -0.63 0.03 -0.34 0.00 0.00 178.44 178.11 3koy h ARG 288 N 1.16 0.00 -0.14 1.25 3.08 -1.32 0.28 114.38 118.69 3koy h ARG 288 Ca 0.40 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.26 3koy h ARG 288 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.17 3koy h ARG 288 CO -0.15 0.63 -0.66 0.93 -1.07 0.00 0.00 179.97 179.66 3koy h GLU 289 N 0.00 0.70 -0.18 0.04 5.08 -0.73 -2.87 114.58 116.62 3koy h GLU 289 Ca -0.01 -0.56 -0.11 0.00 -1.00 0.00 0.00 59.36 57.68 3koy h GLU 289 Cb 1.20 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3koy h GLU 289 CO 0.08 1.17 -0.38 1.98 -1.00 0.00 0.00 179.01 180.86 3koy h MET 290 N 0.38 0.39 -0.44 2.33 4.05 -0.59 -3.16 114.93 117.89 3koy h MET 290 Ca -0.04 -0.18 -0.21 0.00 -0.28 0.00 0.00 59.70 58.99 3koy h MET 290 Cb 1.29 -0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.96 3koy h MET 290 CO 0.14 0.72 0.05 1.19 0.23 0.00 0.00 176.91 179.23 3koy n PHE 291 N -4.04 1.40 -1.60 1.39 3.72 0.95 -5.02 117.46 114.26 3koy n PHE 291 Ca -0.01 -1.53 -0.48 0.00 -0.05 0.00 0.00 57.45 55.38 3koy n PHE 291 Cb 0.48 -0.54 -0.04 0.00 -0.94 0.00 0.00 39.48 38.44 3koy n PHE 291 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3koy n GLU 292 N -1.01 1.36 0.00 -1.08 2.13 -1.08 -1.40 120.64 119.56 3koy n GLU 292 Ca 0.36 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.66 3koy n GLU 292 Cb 1.12 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.78 3koy n GLU 292 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3koy n GLY 293 N 2.20 2.34 3.93 8.31 0.00 -1.26 -5.06 105.19 115.66 3koy n GLY 293 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3koy n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3koy s TYR 294 N -2.46 3.22 0.35 1.61 2.02 -0.49 -4.33 117.35 117.27 3koy s TYR 294 Ca 0.00 0.45 -0.22 0.00 -0.37 0.00 0.00 57.07 56.93 3koy s TYR 294 Cb 0.00 -2.58 -0.10 0.00 -0.40 0.00 0.00 41.96 38.88 3koy s TYR 294 CO 0.00 -0.65 0.89 1.03 -1.57 0.00 0.00 175.55 175.25 3koy s ARG 295 N -4.81 4.33 -0.28 -0.62 1.81 -0.71 -4.99 118.95 113.67 3koy s ARG 295 Ca 0.52 1.10 -0.06 0.00 -1.72 0.00 0.00 55.73 55.57 3koy s ARG 295 Cb -0.10 -2.52 0.01 0.00 -0.45 0.00 0.00 34.95 31.88 3koy s ARG 295 CO 0.42 0.16 0.06 -1.64 -0.68 0.00 0.00 175.30 173.62 3koy s MET 296 N -2.60 3.09 -0.53 3.54 -1.94 -1.26 -1.18 119.30 118.42 3koy s MET 296 Ca 0.54 -0.85 -0.14 0.00 -1.71 0.00 0.00 55.69 53.54 3koy s MET 296 Cb -0.14 -3.31 0.13 0.00 2.01 0.00 0.00 34.83 33.53 3koy s MET 296 CO 0.18 -0.42 0.46 0.50 -0.01 0.00 0.00 175.02 175.74 3koy s ARG 297 N 1.48 2.86 -0.05 2.03 3.00 0.14 -0.95 118.95 127.45 3koy s ARG 297 Ca 0.03 -1.77 -0.30 0.00 -1.00 0.00 0.00 55.73 52.68 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 0.01 -1.29 1.14 0.00 0.00 0.00 0.00 175.30 175.17 3koy s ALA 298 N 1.44 3.44 0.32 6.12 0.00 0.99 -0.85 121.76 133.23 3koy s ALA 298 Ca 0.05 0.59 0.10 0.00 0.00 0.00 0.00 51.96 52.69 3koy s ALA 298 Cb -0.28 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.31 3koy s ALA 298 CO 0.01 -0.66 -0.10 -1.14 0.00 0.00 0.00 175.76 173.88 3koy s GLN 299 N 1.97 1.85 0.50 0.00 2.00 -0.69 0.35 119.66 125.64 3koy s GLN 299 Ca 0.54 -1.83 0.08 0.00 -2.00 0.00 0.00 55.36 52.15 3koy s GLN 299 Cb -0.23 -1.79 0.04 0.00 0.80 0.00 0.00 33.01 31.83 3koy s GLN 299 CO 0.22 0.20 0.61 -1.64 -0.50 0.00 0.00 175.29 174.18 3koy s MET 300 N -3.61 2.50 0.23 1.67 -1.94 -1.26 -4.25 119.30 112.65 3koy s MET 300 Ca 0.32 -1.55 -0.30 0.00 -1.71 0.00 0.00 55.69 52.46 3koy s MET 300 Cb -0.00 -2.57 -0.09 0.00 2.01 0.00 0.00 34.83 34.18 3koy s MET 300 CO 0.17 -0.54 0.97 1.21 -0.01 0.00 0.00 175.02 176.82 3koy s ASN 301 N -4.43 7.57 0.00 3.03 2.47 -1.26 -4.93 114.94 117.39 3koy s ASN 301 Ca 0.54 1.99 0.00 0.00 0.42 0.00 0.00 52.86 55.81 3koy s ASN 301 Cb -0.06 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 3koy s ASN 301 CO 0.33 0.09 0.00 0.35 -3.72 0.00 0.00 177.10 174.15 3koy n THR 302 N 1.59 0.00 0.31 -5.21 -2.24 -1.26 -4.91 114.28 102.56 3koy n THR 302 Ca -0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 3koy n THR 302 Cb 0.47 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.80 -2.87 -0.78 3.64 -1.96 -3.22 116.57 110.58 3koy h LYS 303 Ca 0.00 0.05 -0.77 0.00 -1.27 0.00 0.00 60.65 58.67 3koy h LYS 303 Cb 0.26 0.18 -0.18 0.00 -0.41 0.00 0.00 32.23 32.08 3koy h LYS 303 CO 0.00 -0.53 1.87 0.66 -2.27 0.00 0.00 179.45 179.17 3koy n TYR 304 N -5.06 2.66 -4.33 1.91 4.01 -1.26 -4.91 117.16 110.18 3koy n TYR 304 Ca -0.10 -2.73 -0.22 0.00 -0.16 0.00 0.00 57.90 54.68 3koy n TYR 304 Cb 0.33 -1.69 -0.11 0.00 -0.31 0.00 0.00 39.34 37.55 3koy n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3koy s MET 305 N -1.40 1.26 0.00 -0.72 1.75 -1.22 -4.86 119.30 114.11 3koy s MET 305 Ca 0.44 -1.37 0.00 0.00 -1.25 0.00 0.00 55.69 53.51 3koy s MET 305 Cb 0.14 -1.36 0.00 0.00 2.84 0.00 0.00 34.83 36.45 3koy s MET 305 CO -0.04 0.28 0.00 -1.91 -0.65 0.00 0.00 175.02 172.70 3koy n GLU 306 N 0.42 1.45 -0.02 4.11 0.00 -1.26 -5.00 120.64 120.34 3koy n GLU 306 Ca -0.14 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.15 3koy n GLU 306 Cb 0.56 0.00 0.54 0.00 0.00 0.00 0.00 31.44 32.54 3koy n GLU 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3koy n ALA 307 N -3.00 2.58 -2.68 4.31 0.00 -1.26 -4.30 120.51 116.16 3koy n ALA 307 Ca 0.00 -0.42 -0.40 0.00 0.00 0.00 0.00 53.44 52.62 3koy n ALA 307 Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.89 6.79 0.26 0.00 0.15 -1.26 -4.76 113.70 113.00 3koy s SER 308 Ca 0.37 0.96 0.14 0.00 0.70 0.00 0.00 55.95 58.12 3koy s SER 308 Cb 0.20 -2.37 0.13 0.00 -1.71 0.00 0.00 66.02 62.26 3koy s SER 308 CO 0.32 -0.24 1.47 0.71 1.20 0.00 0.00 173.24 176.70 3koy h THR 309 N 5.06 1.07 0.21 6.45 1.35 -1.87 -3.02 112.91 122.16 3koy h THR 309 Ca -0.34 -2.36 -0.01 0.00 -0.55 0.00 0.00 66.41 63.16 3koy h THR 309 Cb 1.16 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 3koy h THR 309 CO 0.78 0.58 -0.10 -0.09 -0.25 0.00 0.00 175.52 176.44 3koy h ARG 310 N 0.00 -0.27 -0.50 4.72 2.43 -1.92 -2.03 114.38 116.82 3koy h ARG 310 Ca -0.01 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 3koy h ARG 310 Cb 1.37 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.89 3koy h ARG 310 CO 0.08 -0.12 -0.09 1.49 -1.51 0.00 0.00 179.97 179.81 3koy h GLU 311 N -0.35 0.03 -0.50 0.20 4.81 -1.95 -1.69 114.58 115.13 3koy h GLU 311 Ca -0.03 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3koy h GLU 311 Cb 0.27 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3koy h GLU 311 CO 0.05 0.02 0.00 0.00 -0.73 0.00 0.00 179.01 178.35 3koy h ALA 312 N 1.48 0.68 -0.27 2.92 0.00 -1.42 -1.99 119.26 120.66 3koy h ALA 312 Ca 0.24 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3koy h ALA 312 Cb 0.37 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3koy h ALA 312 CO -0.49 0.48 -0.08 1.15 0.00 0.00 0.00 179.25 180.32 3koy h THR 313 N 0.75 0.70 -0.80 0.00 2.02 -1.07 -0.27 112.91 114.24 3koy h THR 313 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 3koy h THR 313 Cb 0.51 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 3koy h THR 313 CO 0.03 0.00 0.45 0.58 0.37 0.00 0.00 175.52 176.94 3koy h VAL 314 N -0.02 1.23 -0.17 3.16 2.07 -0.70 -1.39 116.25 120.43 3koy h VAL 314 Ca 0.13 -0.56 -0.14 0.00 0.82 0.00 0.00 66.70 66.96 3koy h VAL 314 Cb 0.22 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3koy h VAL 314 CO -0.29 0.26 -0.48 0.74 0.02 0.00 0.00 177.57 177.82 3koy h THR 315 N 1.11 1.32 0.00 2.57 2.02 -1.14 -2.90 112.91 115.89 3koy h THR 315 Ca 0.28 -1.69 -0.08 0.00 0.77 0.00 0.00 66.41 65.70 3koy h THR 315 Cb 0.01 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3koy h THR 315 CO -0.05 0.52 -0.36 0.45 0.37 0.00 0.00 175.52 176.45 3koy h HIS 316 N 0.35 0.00 -0.48 3.16 3.86 -0.13 -0.87 115.15 121.04 3koy h HIS 316 Ca 0.02 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 3koy h HIS 316 Cb 0.97 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 3koy h HIS 316 CO 0.03 0.36 -0.20 0.28 0.86 0.00 0.00 177.93 179.26 3koy h VAL 317 N 0.00 1.27 -0.79 2.45 2.07 -1.10 0.83 116.25 120.98 3koy h VAL 317 Ca -0.00 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 3koy h VAL 317 Cb 0.70 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3koy h VAL 317 CO 0.05 0.47 0.37 -0.07 0.02 0.00 0.00 177.57 178.41 3koy h LEU 318 N 0.85 1.04 -0.72 2.57 3.38 -1.20 -0.29 115.31 120.94 3koy h LEU 318 Ca 0.11 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3koy h LEU 318 Cb 0.77 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3koy h LEU 318 CO 0.06 0.89 0.41 0.78 0.09 0.00 0.00 178.44 180.67 3koy h ASN 319 N 1.12 0.61 -0.66 -0.43 -0.26 -0.75 0.20 115.58 115.41 3koy h ASN 319 Ca 0.27 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.99 3koy h ASN 319 Cb 0.13 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 3koy h ASN 319 CO -0.03 0.39 0.25 -0.07 -1.06 0.00 0.00 177.43 176.90 3koy h LEU 320 N 0.75 0.95 -0.49 1.61 3.38 -0.39 -2.33 115.31 118.80 3koy h LEU 320 Ca 0.32 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3koy h LEU 320 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3koy h LEU 320 CO -0.19 0.87 0.16 0.25 0.09 0.00 0.00 178.44 179.63 3koy h LEU 321 N 1.00 0.70 -0.54 1.67 5.85 0.77 0.35 115.31 125.12 3koy h LEU 321 Ca 0.23 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3koy h LEU 321 Cb 0.24 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 3koy h LEU 321 CO -0.01 0.71 0.15 0.40 -0.34 0.00 0.00 178.44 179.35 3koy h ILE 322 N 0.66 0.75 -0.40 4.05 1.08 -0.44 0.86 117.51 124.07 3koy h ILE 322 Ca 0.16 -0.11 -0.04 0.00 -0.39 0.00 0.00 64.86 64.48 3koy h ILE 322 Cb 0.25 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 3koy h ILE 322 CO -0.01 0.06 0.07 0.28 -0.69 0.00 0.00 178.15 177.86 3koy h SER 323 N 0.31 0.56 -0.18 1.72 0.02 -0.82 -2.80 113.55 112.35 3koy h SER 323 Ca 0.27 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.99 3koy h SER 323 Cb 0.34 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3koy h SER 323 CO -0.31 0.58 -0.44 0.50 -1.14 0.00 0.00 176.83 176.02 3koy h LYS 324 N 0.58 0.62 0.00 3.45 1.63 0.29 -2.88 116.57 120.27 3koy h LYS 324 Ca 0.13 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 3koy h LYS 324 Cb 0.26 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3koy h LYS 324 CO 0.00 1.04 0.00 1.28 -3.45 0.00 0.00 179.45 178.32 3koy n LEU 325 N -4.22 0.00 0.00 5.20 4.77 0.18 -4.67 117.00 118.26 3koy n LEU 325 Ca -0.06 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3koy n LEU 325 Cb 0.56 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3koy n LEU 325 CO 0.46 -0.29 0.00 0.35 -1.33 0.00 0.00 177.39 176.58 3koy n THR 326 N -1.37 0.00 -3.81 -5.08 -2.24 -1.10 -4.91 114.28 95.77 3koy n THR 326 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 3koy n THR 326 Cb 0.06 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 3koy n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3koy s ARG 327 N 2.03 0.47 -0.28 -0.78 3.52 -1.12 -5.04 118.95 117.74 3koy s ARG 327 Ca 0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.52 3koy s ARG 327 Cb 0.00 0.21 0.13 0.00 -1.56 0.00 0.00 34.95 33.73 3koy s ARG 327 CO 0.00 -0.11 0.28 0.00 -0.81 0.00 0.00 175.30 174.66 3koy s ALA 328 N -0.82 -0.37 0.12 6.12 0.00 -1.26 -4.85 121.76 120.72 3koy s ALA 328 Ca -0.09 -0.31 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 3koy s ALA 328 Cb -0.05 -1.72 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 3koy s ALA 328 CO 0.02 -1.66 1.44 -0.44 0.00 0.00 0.00 175.76 175.13 3koy h ASP 329 N 8.28 0.88 -3.51 0.00 3.32 -1.43 -3.41 116.42 120.55 3koy h ASP 329 Ca -0.14 -0.47 -0.68 0.00 0.02 0.00 0.00 57.03 55.76 3koy h ASP 329 Cb 1.08 -0.25 -0.30 0.00 0.22 0.00 0.00 39.33 40.08 3koy h ASP 329 CO 0.34 1.17 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.56 3koy s ILE 330 N -4.36 2.39 -0.33 0.35 1.01 -0.80 -2.36 121.20 117.09 3koy s ILE 330 Ca -0.12 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 3koy s ILE 330 Cb 0.10 -1.93 0.04 0.00 0.01 0.00 0.00 42.46 40.68 3koy s ILE 330 CO 0.86 0.55 0.09 -1.58 0.00 0.00 0.00 174.94 174.86 3koy s GLN 331 N 0.18 2.57 0.61 2.79 2.00 0.99 -0.00 119.66 128.80 3koy s GLN 331 Ca -0.12 -1.22 -0.08 0.00 -2.00 0.00 0.00 55.36 51.94 3koy s GLN 331 Cb -0.16 -3.40 -0.00 0.00 0.80 0.00 0.00 33.01 30.24 3koy s GLN 331 CO 0.07 -0.67 0.96 -1.12 -0.50 0.00 0.00 175.29 174.03 3koy s SER 332 N 1.39 5.75 0.05 6.67 0.01 0.16 -1.67 113.70 126.05 3koy s SER 332 Ca -0.02 0.98 0.02 0.00 1.31 0.00 0.00 55.95 58.24 3koy s SER 332 Cb -0.20 -1.97 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 3koy s SER 332 CO 0.02 -1.05 -0.08 0.42 0.41 0.00 0.00 173.24 172.96 3koy s THR 333 N -3.09 0.61 -0.09 1.44 -4.23 -1.01 -4.28 115.64 104.98 3koy s THR 333 Ca 0.54 -1.19 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 3koy s THR 333 Cb -0.11 -0.76 -0.00 0.00 1.34 0.00 0.00 72.50 72.97 3koy s THR 333 CO 0.48 -0.42 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.27 3koy s ILE 334 N -1.62 2.06 0.23 2.99 -1.09 -1.26 -4.53 121.20 117.98 3koy s ILE 334 Ca -0.07 -1.03 -0.30 0.00 -2.23 0.00 0.00 60.65 57.02 3koy s ILE 334 Cb -0.08 -1.77 -0.09 0.00 -1.58 0.00 0.00 42.46 38.94 3koy s ILE 334 CO 0.00 0.56 1.26 0.42 -1.23 0.00 0.00 174.94 175.95 3koy s THR 335 N 0.22 3.23 -2.00 2.92 -4.23 -1.26 -4.83 115.64 109.68 3koy s THR 335 Ca -0.15 1.07 0.14 0.00 -1.18 0.00 0.00 61.69 61.57 3koy s THR 335 Cb -0.17 -3.68 0.40 0.00 1.34 0.00 0.00 72.50 70.38 3koy s THR 335 CO 0.08 0.19 1.26 -0.81 -0.54 0.00 0.00 174.62 174.79 3koy n PRO 336 N 2.14 0.47 0.00 3.99 -0.05 -1.26 -0.54 135.00 139.75 3koy n PRO 336 Ca 0.04 0.00 0.10 0.00 -0.05 0.00 0.00 63.50 63.59 3koy n PRO 336 Cb 0.43 -1.46 0.01 0.00 -0.05 0.00 0.00 33.50 32.43 3koy n PRO 336 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 3koy n ASP 337 N -0.96 2.04 -0.40 3.54 5.75 -1.26 -4.21 116.55 121.05 3koy n ASP 337 Ca 0.11 -1.52 0.34 0.00 -0.01 0.00 0.00 54.79 53.70 3koy n ASP 337 Cb 0.05 0.38 0.56 0.00 -1.03 0.00 0.00 41.12 41.09 3koy n ASP 337 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3koy n GLU 338 N 0.18 -0.03 -0.29 0.11 0.00 0.30 0.75 120.64 121.66 3koy n GLU 338 Ca 0.09 1.01 0.12 0.00 0.00 0.00 0.00 57.16 58.38 3koy n GLU 338 Cb 0.44 -2.02 0.28 0.00 0.00 0.00 0.00 31.44 30.13 3koy n GLU 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3koy n GLY 339 N -1.45 2.08 0.11 8.31 0.00 -1.26 -4.10 105.19 108.89 3koy n GLY 339 Ca 0.33 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 3koy n GLY 339 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3koy n ARG 340 N 1.55 0.33 -3.80 1.61 1.74 0.23 -4.17 116.66 114.15 3koy n ARG 340 Ca 0.22 0.08 -0.05 0.00 -0.77 0.00 0.00 57.85 57.34 3koy n ARG 340 Cb 0.60 -1.24 -0.01 0.00 -1.02 0.00 0.00 32.46 30.79 3koy n ARG 340 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3koy s ASN 341 N -5.39 -0.15 0.03 0.55 4.22 -0.77 -5.00 114.94 108.43 3koy s ASN 341 Ca -0.18 -0.56 -0.30 0.00 -2.14 0.00 0.00 52.86 49.68 3koy s ASN 341 Cb 0.05 0.58 -0.08 0.00 1.28 0.00 0.00 41.25 43.08 3koy s ASN 341 CO 0.30 -1.09 1.70 -0.69 -2.04 0.00 0.00 177.10 175.28 3koy s VAL 342 N -3.20 3.17 -0.07 3.54 1.01 -1.26 -4.31 120.40 119.28 3koy s VAL 342 Ca 0.14 0.48 -0.33 0.00 0.00 0.00 0.00 61.98 62.26 3koy s VAL 342 Cb -0.03 -3.31 -0.16 0.00 0.00 0.00 0.00 36.38 32.88 3koy s VAL 342 CO 0.05 -0.02 0.95 -2.65 0.00 0.00 0.00 175.10 173.42 3koy n PRO 343 N 6.25 0.00 -2.36 2.72 -0.02 -1.26 -4.96 135.00 135.37 3koy n PRO 343 Ca 0.17 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.40 3koy n PRO 343 Cb 0.41 -1.22 0.08 0.00 -0.02 0.00 0.00 33.50 32.75 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 0.44 2.53 0.13 6.00 0.51 -1.26 -4.86 118.94 122.43 3koy s TRP 344 Ca 0.76 0.17 -0.19 0.00 -2.12 0.00 0.00 56.10 54.72 3koy s TRP 344 Cb -1.06 -3.12 -0.01 0.00 -0.81 0.00 0.00 33.47 28.46 3koy s TRP 344 CO 0.50 -1.44 1.71 0.45 -0.51 0.00 0.00 176.95 177.65 3koy h HIS 345 N -0.51 -0.08 0.00 -1.98 3.86 -1.28 -3.07 115.15 112.10 3koy h HIS 345 Ca -0.42 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 3koy h HIS 345 Cb 1.29 0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.83 3koy h HIS 345 CO 0.11 -0.07 0.00 -0.84 0.86 0.00 0.00 177.93 177.99 3koy h ILE 346 N 0.03 0.00 0.00 2.45 3.07 -1.95 -2.43 117.51 118.68 3koy h ILE 346 Ca 0.11 -0.37 -0.19 0.00 1.55 0.00 0.00 64.86 65.96 3koy h ILE 346 Cb 0.16 1.23 -0.03 0.00 -0.27 0.00 0.00 36.82 37.90 3koy h ILE 346 CO -0.22 0.00 -1.58 -1.22 -1.05 0.00 0.00 178.15 174.08 3koy n TYR 347 N -2.60 0.82 -0.21 0.16 4.01 -1.16 -1.41 117.16 116.76 3koy n TYR 347 Ca 0.02 0.28 -0.02 0.00 -0.16 0.00 0.00 57.90 58.01 3koy n TYR 347 Cb 0.27 -1.05 0.09 0.00 -0.31 0.00 0.00 39.34 38.34 3koy n TYR 347 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3koy h ASN 348 N 0.00 0.44 0.13 7.72 4.21 -1.46 -1.27 115.58 125.36 3koy h ASN 348 Ca -0.21 0.04 -0.08 0.00 1.21 0.00 0.00 56.30 57.26 3koy h ASN 348 Cb 1.66 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.80 3koy h ASN 348 CO 0.04 0.29 -0.28 0.40 -1.29 0.00 0.00 177.43 176.60 3koy h ILE 349 N 0.58 1.25 -0.45 2.81 5.03 -1.47 -2.16 117.51 123.11 3koy h ILE 349 Ca 0.28 -1.18 -0.02 0.00 -0.12 0.00 0.00 64.86 63.81 3koy h ILE 349 Cb 0.21 1.46 -0.02 0.00 -3.03 0.00 0.00 36.82 35.44 3koy h ILE 349 CO -0.20 0.36 0.19 -0.33 -0.68 0.00 0.00 178.15 177.49 3koy h GLU 350 N 0.22 0.67 0.52 2.37 5.08 -1.00 -2.18 114.58 120.25 3koy h GLU 350 Ca 0.03 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3koy h GLU 350 Cb 0.61 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3koy h GLU 350 CO 0.04 0.60 -0.33 0.00 -1.00 0.00 0.00 179.01 178.33 3koy h ALA 351 N 1.03 -1.14 -0.60 3.43 0.00 -0.87 0.15 119.26 121.25 3koy h ALA 351 Ca 0.15 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3koy h ALA 351 Cb 0.18 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.30 3koy h ALA 351 CO -0.01 -1.12 -0.18 0.00 0.00 0.00 0.00 179.25 177.94 3koy h ASP 353 N -0.03 0.05 -0.67 0.00 5.19 -1.12 -1.42 116.42 118.41 3koy h ASP 353 Ca 0.29 0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 56.73 3koy h ASP 353 Cb 0.47 0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.06 3koy h ASP 353 CO -0.64 0.05 0.22 0.74 -3.12 0.00 0.00 179.24 176.50 3koy h THR 354 N 0.27 1.25 -0.24 0.35 2.02 0.88 -1.32 112.91 116.11 3koy h THR 354 Ca 0.26 -0.83 -0.09 0.00 0.77 0.00 0.00 66.41 66.51 3koy h THR 354 Cb 0.34 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3koy h THR 354 CO -0.32 0.32 -0.22 0.00 0.37 0.00 0.00 175.52 175.68 3koy h ALA 355 N 1.09 0.35 -0.46 6.16 0.00 -0.86 -1.22 119.26 124.33 3koy h ALA 355 Ca 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3koy h ALA 355 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3koy h ALA 355 CO -0.01 0.30 0.24 -0.22 0.00 0.00 0.00 179.25 179.56 3koy h LYS 356 N 0.28 0.63 0.05 0.00 3.64 -1.08 -2.60 116.57 117.48 3koy h LYS 356 Ca 0.04 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3koy h LYS 356 Cb 0.77 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3koy h LYS 356 CO 0.06 0.47 -0.27 0.37 -2.27 0.00 0.00 179.45 177.80 3koy h GLN 357 N 0.63 0.10 -0.29 1.90 4.15 -0.95 -2.27 115.11 118.38 3koy h GLN 357 Ca 0.16 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3koy h GLN 357 Cb 0.03 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3koy h GLN 357 CO -0.03 1.08 0.16 0.00 -1.93 0.00 0.00 178.83 178.11 3koy h ALA 358 N 0.03 0.37 -0.03 3.38 0.00 -1.26 -0.78 119.26 120.97 3koy h ALA 358 Ca -0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3koy h ALA 358 Cb 1.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3koy h ALA 358 CO 0.05 -0.11 -0.00 -0.07 0.00 0.00 0.00 179.25 179.12 3koy h LEU 359 N 0.35 0.05 -1.51 0.00 3.38 -1.58 -0.37 115.31 115.62 3koy h LEU 359 Ca 0.10 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3koy h LEU 359 Cb 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3koy h LEU 359 CO -0.02 0.35 0.26 0.40 0.09 0.00 0.00 178.44 179.53 3koy h ILE 360 N -0.26 1.13 -0.22 1.22 1.08 -1.43 -0.48 117.51 118.54 3koy h ILE 360 Ca 0.01 -0.29 -0.04 0.00 -0.39 0.00 0.00 64.86 64.14 3koy h ILE 360 Cb 0.33 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 3koy h ILE 360 CO 0.00 0.13 -0.05 1.23 -0.69 0.00 0.00 178.15 178.78 3koy h GLY 361 N 0.65 0.37 -2.44 5.37 0.00 -0.59 -2.16 103.07 104.26 3koy h GLY 361 Ca 0.16 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 3koy h GLY 361 CO -0.03 0.20 0.13 1.03 0.00 0.00 0.00 176.54 177.87 3koy n MET 362 N -4.31 2.10 -1.69 4.80 2.81 -0.20 -4.96 117.12 115.68 3koy n MET 362 Ca 0.00 -1.29 -0.43 0.00 -1.81 0.00 0.00 57.70 54.17 3koy n MET 362 Cb 0.23 -1.66 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 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 0.04 3.85 -2.58 7.83 2.03 -0.82 -1.25 116.55 125.66 3koy n ASP 363 Ca 0.18 1.02 -0.14 0.00 0.52 0.00 0.00 54.79 56.37 3koy n ASP 363 Cb 0.82 -1.52 -0.00 0.00 -0.72 0.00 0.00 41.12 39.69 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 4.07 -0.50 0.28 0.27 0.00 -1.26 -4.86 105.19 103.19 3koy n GLY 364 Ca 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.17 0.59 0.00 0.99 5.85 -1.55 -2.57 115.31 118.45 3koy h LEU 365 Ca -0.32 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3koy h LEU 365 Cb 1.23 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3koy h LEU 365 CO 0.38 0.64 0.00 0.23 -0.34 0.00 0.00 178.44 179.35 3koy n MET 366 N -4.27 0.80 0.07 1.25 2.81 -1.26 -1.07 117.12 115.44 3koy n MET 366 Ca 0.02 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.04 3koy n MET 366 Cb 0.25 -1.47 0.30 0.00 -0.71 0.00 0.00 33.22 31.59 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 -0.97 0.67 0.00 7.83 9.92 -0.97 -4.25 116.55 128.78 3koy n ASP 367 Ca 0.18 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 3koy n ASP 367 Cb 0.08 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 3koy n ASP 367 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 3koy n MET 368 N -2.07 4.04 -4.07 -1.24 2.81 -0.23 -5.06 117.12 111.30 3koy n MET 368 Ca 0.05 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.81 3koy n MET 368 Cb 0.42 -0.66 -0.11 0.00 -0.71 0.00 0.00 33.22 32.16 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 -1.28 0.56 0.18 2.03 1.01 -0.50 -5.13 120.40 117.27 3koy s VAL 369 Ca 0.00 -1.14 -0.17 0.00 0.00 0.00 0.00 61.98 60.67 3koy s VAL 369 Cb 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.73 3koy s VAL 369 CO 0.00 -0.41 0.50 0.00 0.00 0.00 0.00 175.10 175.19 3koy s GLN 370 N -1.72 1.32 -0.01 2.72 -2.07 -1.26 -4.46 119.66 114.18 3koy s GLN 370 Ca -0.09 -0.84 -0.30 0.00 -1.82 0.00 0.00 55.36 52.32 3koy s GLN 370 Cb -0.09 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.29 3koy s GLN 370 CO 0.00 -0.55 1.23 -0.51 -1.32 0.00 0.00 175.29 174.14 3koy s LEU 371 N -2.86 4.32 -0.82 2.60 1.43 -1.26 -4.90 118.68 117.18 3koy s LEU 371 Ca 0.08 1.92 -0.22 0.00 -1.03 0.00 0.00 54.13 54.88 3koy s LEU 371 Cb -0.00 -3.57 -0.15 0.00 0.03 0.00 0.00 46.19 42.50 3koy s LEU 371 CO -0.05 -0.56 1.92 0.29 0.23 0.00 0.00 176.35 178.18 3koy n LYS 372 N 4.78 1.49 -0.09 1.70 5.02 -1.26 -4.77 118.16 125.04 3koy n LYS 372 Ca 0.11 -1.94 0.01 0.00 -2.02 0.00 0.00 58.31 54.47 3koy n LYS 372 Cb 0.46 -3.05 0.31 0.00 -0.02 0.00 0.00 35.03 32.73 3koy n LYS 372 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3koy h ARG 373 N 8.24 0.72 -5.43 1.97 9.65 -1.99 -3.38 114.38 124.16 3koy h ARG 373 Ca 0.39 -0.08 -0.61 0.00 -1.10 0.00 0.00 59.98 58.58 3koy h ARG 373 Cb 0.72 -0.14 -0.12 0.00 -1.39 0.00 0.00 29.97 29.03 3koy h ARG 373 CO 1.84 0.55 -0.10 -1.21 2.80 0.00 0.00 179.97 183.85 3koy s GLU 374 N -5.46 4.14 0.00 0.20 0.41 -1.26 -2.32 118.70 114.42 3koy s GLU 374 Ca -0.09 0.30 0.00 0.00 -0.41 0.00 0.00 54.97 54.76 3koy s GLU 374 Cb 0.17 -3.58 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 3koy s GLU 374 CO 0.76 -0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.77 3koy n GLY 375 N 4.08 0.66 0.34 -1.39 0.00 -1.26 -4.84 105.19 102.78 3koy n GLY 375 Ca -0.06 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.38 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 1.18 0.50 1.61 3.04 -1.90 -0.86 116.25 119.83 3koy h VAL 376 Ca 0.00 -0.37 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 3koy h VAL 376 Cb 0.00 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.46 3koy h VAL 376 CO 0.00 0.18 -0.33 0.25 -1.01 0.00 0.00 177.57 176.66 3koy h LEU 377 N 0.94 -0.85 -0.54 3.16 5.85 -1.85 -2.29 115.31 119.73 3koy h LEU 377 Ca 0.25 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.10 3koy h LEU 377 Cb -0.08 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3koy h LEU 377 CO -0.05 -0.51 0.21 1.23 -0.34 0.00 0.00 178.44 178.98 3koy h GLY 378 N -0.81 0.75 0.42 3.75 0.00 -0.90 -0.98 103.07 105.30 3koy h GLY 378 Ca -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3koy h GLY 378 CO 0.04 0.02 -0.40 -0.55 0.00 0.00 0.00 176.54 175.65 3koy h ASP 379 N 0.41 -1.15 0.15 0.19 3.32 -1.14 -1.56 116.42 116.63 3koy h ASP 379 Ca 0.26 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.44 3koy h ASP 379 Cb 0.27 0.41 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3koy h ASP 379 CO -0.25 -0.51 -0.27 0.74 -1.72 0.00 0.00 179.24 177.24 3koy h THR 380 N -0.72 0.42 -1.01 0.35 2.02 -1.07 -0.69 112.91 112.21 3koy h THR 380 Ca -0.00 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.47 3koy h THR 380 Cb 0.69 0.42 -0.14 0.00 -1.74 0.00 0.00 68.15 67.39 3koy h THR 380 CO -0.16 0.00 0.59 0.58 0.37 0.00 0.00 175.52 176.89 3koy h VAL 381 N -0.49 0.39 0.23 3.16 2.07 -1.09 -0.24 116.25 120.27 3koy h VAL 381 Ca 0.02 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3koy h VAL 381 Cb 0.51 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3koy h VAL 381 CO -0.13 0.08 -0.11 -0.09 0.02 0.00 0.00 177.57 177.33 3koy h ARG 382 N 0.41 -0.30 -0.90 1.57 9.65 -0.63 -3.04 114.38 121.15 3koy h ARG 382 Ca 0.70 0.02 0.23 0.00 -1.10 0.00 0.00 59.98 59.83 3koy h ARG 382 Cb 1.53 0.07 -0.13 0.00 -1.39 0.00 0.00 29.97 30.05 3koy h ARG 382 CO -0.55 0.08 0.38 1.49 2.80 0.00 0.00 179.97 184.17 3koy h GLU 383 N -0.85 0.36 0.12 0.20 4.81 0.10 -1.35 114.58 117.97 3koy h GLU 383 Ca -0.03 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3koy h GLU 383 Cb 0.51 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3koy h GLU 383 CO 0.05 0.24 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.34 3koy h LEU 384 N 0.37 -0.43 -0.81 1.64 3.38 -1.15 -1.49 115.31 116.83 3koy h LEU 384 Ca 0.56 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.72 3koy h LEU 384 Cb 1.09 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 3koy h LEU 384 CO -0.55 -0.23 0.39 0.11 0.09 0.00 0.00 178.44 178.25 3koy h LYS 385 N -0.32 0.55 -0.40 1.13 1.57 -1.15 -0.22 116.57 117.71 3koy h LYS 385 Ca 0.01 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3koy h LYS 385 Cb 0.33 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3koy h LYS 385 CO -0.06 0.36 -0.16 0.93 -0.57 0.00 0.00 179.45 179.95 3koy h GLU 386 N 0.56 0.75 -0.64 3.15 5.08 -1.11 0.28 114.58 122.65 3koy h GLU 386 Ca 0.44 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3koy h GLU 386 Cb 0.63 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3koy h GLU 386 CO -0.37 0.86 0.16 0.00 -1.00 0.00 0.00 179.01 178.66 3koy h ARG 387 N 0.67 1.03 -0.57 2.33 3.08 -0.61 -1.24 114.38 119.06 3koy h ARG 387 Ca 0.11 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 3koy h ARG 387 Cb 0.64 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 3koy h ARG 387 CO 0.04 0.93 0.23 0.00 -1.07 0.00 0.00 179.97 180.11 3koy h ALA 388 N 1.06 1.34 -0.04 0.04 0.00 -0.56 -0.54 119.26 120.56 3koy h ALA 388 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3koy h ALA 388 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3koy h ALA 388 CO 0.00 0.50 -0.13 0.28 0.00 0.00 0.00 179.25 179.90 3koy h VAL 389 N 0.81 1.47 -0.76 0.00 2.07 -0.73 -2.28 116.25 116.83 3koy h VAL 389 Ca 0.20 -1.58 0.17 0.00 0.82 0.00 0.00 66.70 66.31 3koy h VAL 389 Cb 0.15 2.42 -0.13 0.00 -1.52 0.00 0.00 31.29 32.21 3koy h VAL 389 CO -0.02 0.43 0.03 -0.07 0.02 0.00 0.00 177.57 177.96 3koy h LEU 390 N -0.41 -0.30 0.20 2.57 3.38 -1.12 0.12 115.31 119.74 3koy h LEU 390 Ca -0.01 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3koy h LEU 390 Cb 0.77 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3koy h LEU 390 CO 0.03 -0.17 -0.38 0.15 0.09 0.00 0.00 178.44 178.16 3koy h PHE 391 N 0.12 -1.05 -0.85 1.13 -0.00 -0.85 0.38 116.94 115.81 3koy h PHE 391 Ca 0.42 0.02 0.17 0.00 -0.00 0.00 0.00 57.97 58.58 3koy h PHE 391 Cb 0.75 0.44 -0.10 0.00 -0.00 0.00 0.00 35.95 37.03 3koy h PHE 391 CO -0.40 -0.50 0.40 0.52 -0.00 0.00 0.00 178.31 178.33 3koy h MET 392 N -0.67 0.52 -0.62 1.11 2.86 -0.94 -2.15 114.93 115.05 3koy h MET 392 Ca 0.01 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3koy h MET 392 Cb 0.66 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 3koy h MET 392 CO -0.17 0.34 0.31 0.93 1.06 0.00 0.00 176.91 179.38 3koy h GLU 393 N 0.53 0.55 -0.24 1.72 5.08 0.13 -2.09 114.58 120.26 3koy h GLU 393 Ca 0.48 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.64 3koy h GLU 393 Cb 0.76 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3koy h GLU 393 CO -0.42 0.36 -0.52 1.49 -1.00 0.00 0.00 179.01 178.93 3koy h GLU 394 N 0.57 0.68 -0.58 2.33 4.81 -0.78 -2.22 114.58 119.38 3koy h GLU 394 Ca 0.29 -0.41 0.07 0.00 -0.13 0.00 0.00 59.36 59.17 3koy h GLU 394 Cb 0.24 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 3koy h GLU 394 CO -0.21 1.03 0.26 0.82 -0.73 0.00 0.00 179.01 180.18 3koy h ILE 395 N 0.53 0.87 -0.30 2.32 2.04 -0.94 0.03 117.51 122.07 3koy h ILE 395 Ca 0.02 -0.17 -0.14 0.00 1.00 0.00 0.00 64.86 65.56 3koy h ILE 395 Cb 1.08 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3koy h ILE 395 CO 0.11 0.09 -0.38 0.40 0.00 0.00 0.00 178.15 178.36 3koy h ILE 396 N 0.49 1.29 0.00 -0.67 2.04 -1.27 -1.53 117.51 117.86 3koy h ILE 396 Ca 0.27 -1.56 -0.06 0.00 1.00 0.00 0.00 64.86 64.52 3koy h ILE 396 Cb 0.25 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3koy h ILE 396 CO -0.23 0.51 -0.27 -0.08 0.00 0.00 0.00 178.15 178.08 3koy h GLU 397 N 0.54 0.00 -0.10 2.37 4.81 -1.24 -1.87 114.58 119.09 3koy h GLU 397 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3koy h GLU 397 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3koy h GLU 397 CO 0.09 0.27 0.00 0.00 -0.73 0.00 0.00 179.01 178.64 3koy n ALA 398 N -2.29 2.50 -1.18 2.92 0.00 -0.02 -4.88 120.51 117.57 3koy n ALA 398 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3koy n ALA 398 Cb 0.40 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3koy n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3koy n GLY 399 N 0.72 1.05 0.00 0.00 0.00 -0.71 -4.51 105.19 101.75 3koy n GLY 399 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3koy n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 400 N -0.53 -0.82 0.37 -0.02 0.00 -0.60 -4.49 105.19 99.11 3koy n GLY 400 Ca 0.00 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.94 -0.39 1.61 3.20 -1.94 -1.98 116.97 116.53 3koy h TYR 401 Ca 0.00 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.96 3koy h TYR 401 Cb 0.00 0.37 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 3koy h TYR 401 CO 0.00 -0.49 -0.11 0.74 -1.64 0.00 0.00 178.16 176.66 3koy h PHE 402 N -0.71 -0.24 -0.63 -3.82 0.04 -1.96 0.24 116.94 109.86 3koy h PHE 402 Ca -0.02 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.85 3koy h PHE 402 Cb 0.65 0.17 -0.06 0.00 2.20 0.00 0.00 35.95 38.91 3koy h PHE 402 CO -0.21 -0.18 0.33 -0.91 -0.60 0.00 0.00 178.31 176.74 3koy h ASN 403 N -0.02 0.47 -0.88 2.17 4.21 -1.75 0.90 115.58 120.68 3koy h ASN 403 Ca 0.19 0.04 0.10 0.00 1.21 0.00 0.00 56.30 57.84 3koy h ASN 403 Cb 0.30 -0.05 -0.08 0.00 -1.12 0.00 0.00 38.32 37.38 3koy h ASN 403 CO -0.41 0.30 0.52 0.00 -1.29 0.00 0.00 177.43 176.55 3koy h ALA 404 N 1.34 1.28 -0.23 -0.83 0.00 -0.24 0.12 119.26 120.70 3koy h ALA 404 Ca 0.29 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 3koy h ALA 404 Cb 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3koy h ALA 404 CO -0.20 0.15 -0.60 0.28 0.00 0.00 0.00 179.25 178.88 3koy h VAL 405 N 0.86 1.29 -0.03 0.00 2.07 0.70 -1.91 116.25 119.23 3koy h VAL 405 Ca 0.43 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 3koy h VAL 405 Cb 0.39 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3koy h VAL 405 CO -0.25 0.58 -0.21 -0.33 0.02 0.00 0.00 177.57 177.38 3koy h GLU 406 N 0.56 0.06 -0.32 1.57 5.08 -0.32 -1.55 114.58 119.65 3koy h GLU 406 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3koy h GLU 406 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3koy h GLU 406 CO 0.12 0.27 0.00 1.04 -1.00 0.00 0.00 179.01 179.44 3koy n GLN 407 N -4.27 1.70 -2.88 2.33 6.02 0.35 -4.71 117.38 115.92 3koy n GLN 407 Ca -0.02 -1.00 -0.19 0.00 -0.01 0.00 0.00 57.00 55.77 3koy n GLN 407 Cb 0.28 -1.26 0.03 0.00 1.02 0.00 0.00 30.24 30.31 3koy n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3koy n GLY 408 N 0.88 -0.36 0.29 1.08 0.00 -0.59 -4.90 105.19 101.59 3koy n GLY 408 Ca 0.09 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.14 0.00 -3.03 1.61 -1.00 -1.56 -3.38 116.94 108.44 3koy h PHE 409 Ca -0.46 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 59.70 3koy h PHE 409 Cb 1.32 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.78 3koy h PHE 409 CO 0.46 0.00 -0.64 -0.06 -1.61 0.00 0.00 178.31 176.46 3koy s PHE 410 N -3.87 2.97 -1.73 -0.55 0.08 -1.26 -4.47 117.98 109.15 3koy s PHE 410 Ca -0.02 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.97 3koy s PHE 410 Cb 0.11 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 3koy s PHE 410 CO 0.44 0.50 0.00 0.28 -0.10 0.00 0.00 175.22 176.34 3koy n VAL 411 N 0.11 -0.25 -2.85 -0.44 0.31 -1.26 -1.45 118.33 112.50 3koy n VAL 411 Ca -0.10 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.83 3koy n VAL 411 Cb 0.54 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.43 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 -2.64 7.47 -0.00 4.52 2.15 -1.26 -4.13 116.67 122.78 3koy s ASP 412 Ca 0.00 1.75 0.01 0.00 0.43 0.00 0.00 52.55 54.74 3koy s ASP 412 Cb 0.00 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 3koy s ASP 412 CO 0.00 0.11 0.99 -1.54 -0.17 0.00 0.00 175.17 174.55 3koy n SER 413 N 2.00 0.18 -4.96 -0.34 3.41 -1.26 -4.84 113.62 107.81 3koy n SER 413 Ca -0.02 -2.00 -0.22 0.00 -0.26 0.00 0.00 58.87 56.36 3koy n SER 413 Cb 0.48 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.94 1.78 -0.65 5.00 0.00 -1.26 -4.73 107.32 106.51 3koy s GLY 414 Ca 0.01 -1.20 -0.15 0.00 0.00 0.00 0.00 44.72 43.38 3koy s GLY 414 CO 0.01 -0.89 0.60 -0.47 0.00 0.00 0.00 173.10 172.35 3koy s TYR 415 N -2.87 3.45 0.24 1.90 5.04 -1.25 -4.66 117.35 119.20 3koy s TYR 415 Ca 0.57 -1.57 -0.28 0.00 -2.44 0.00 0.00 57.07 53.35 3koy s TYR 415 Cb -0.10 -3.80 -0.16 0.00 0.35 0.00 0.00 41.96 38.25 3koy s TYR 415 CO 0.40 -1.01 0.76 0.98 -1.34 0.00 0.00 175.55 175.34 3koy n TYR 416 N 4.75 0.35 0.60 4.97 9.36 -1.26 -2.22 117.16 133.71 3koy n TYR 416 Ca -0.03 0.84 0.02 0.00 3.32 0.00 0.00 57.90 62.05 3koy n TYR 416 Cb 0.43 -2.10 0.10 0.00 -0.63 0.00 0.00 39.34 37.14 3koy n TYR 416 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3koy n PRO 417 N 0.87 1.95 -2.91 2.98 -0.05 -1.26 -4.94 135.00 131.65 3koy n PRO 417 Ca 0.14 -0.80 -0.41 0.00 -0.05 0.00 0.00 63.50 62.38 3koy n PRO 417 Cb 0.28 -1.65 -0.04 0.00 -0.05 0.00 0.00 33.50 32.04 3koy n PRO 417 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 3koy s GLU 418 N -1.48 4.36 -0.30 0.54 2.12 -0.94 -5.03 118.70 117.97 3koy s GLU 418 Ca 0.14 1.02 -0.01 0.00 0.36 0.00 0.00 54.97 56.48 3koy s GLU 418 Cb 0.10 -3.53 0.05 0.00 0.26 0.00 0.00 34.13 31.02 3koy s GLU 418 CO 0.05 -0.20 -0.01 0.50 -0.54 0.00 0.00 175.26 175.05 3koy s ARG 419 N 1.70 2.37 0.14 4.30 3.52 -1.26 -3.78 118.95 125.93 3koy s ARG 419 Ca 0.39 -1.31 0.27 0.00 -0.13 0.00 0.00 55.73 54.96 3koy s ARG 419 Cb -0.17 -3.14 0.96 0.00 -1.56 0.00 0.00 34.95 31.03 3koy s ARG 419 CO 0.15 -0.63 1.83 0.09 -0.81 0.00 0.00 175.30 175.93 3koy n ASN 420 N 4.58 0.53 0.00 -2.12 3.02 -1.26 -4.93 115.26 115.08 3koy n ASN 420 Ca -0.13 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 3koy n ASN 420 Cb 0.43 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 3koy n ASN 420 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3koy n GLY 421 N 1.35 0.59 0.40 7.41 0.00 -1.26 -4.94 105.19 108.74 3koy n GLY 421 Ca 0.06 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.78 3koy n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3koy n ASP 422 N 0.70 2.71 -4.79 1.61 5.75 -1.26 -5.04 116.55 116.22 3koy n ASP 422 Ca 0.00 -3.19 -0.30 0.00 -0.01 0.00 0.00 54.79 51.29 3koy n ASP 422 Cb 0.00 -0.48 0.10 0.00 -1.03 0.00 0.00 41.12 39.71 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 -2.64 1.62 -0.21 6.12 0.00 -1.26 -4.67 107.32 106.27 3koy s GLY 423 Ca 0.36 -0.20 -0.29 0.00 0.00 0.00 0.00 44.72 44.59 3koy s GLY 423 CO 0.03 0.24 1.07 -0.42 0.00 0.00 0.00 173.10 174.03 3koy s ILE 424 N -3.13 4.62 -0.35 0.90 -1.09 -0.53 -4.88 121.20 116.74 3koy s ILE 424 Ca 0.61 1.95 -0.13 0.00 -2.23 0.00 0.00 60.65 60.85 3koy s ILE 424 Cb -0.15 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.46 3koy s ILE 424 CO 0.54 -0.16 0.26 0.00 -1.23 0.00 0.00 174.94 174.35 3koy s ALA 425 N 3.18 3.50 -0.00 9.38 0.00 -1.26 -4.39 121.76 132.16 3koy s ALA 425 Ca 0.46 -1.41 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 3koy s ALA 425 Cb -0.16 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 3koy s ALA 425 CO 0.08 -1.05 0.32 1.03 0.00 0.00 0.00 175.76 176.14 3koy s ARG 426 N 1.75 3.70 -0.04 0.00 1.81 -1.18 -5.00 118.95 119.99 3koy s ARG 426 Ca 0.07 0.12 -0.25 0.00 -1.72 0.00 0.00 55.73 53.95 3koy s ARG 426 Cb -0.17 -3.13 -0.04 0.00 -0.45 0.00 0.00 34.95 31.16 3koy s ARG 426 CO 0.11 0.67 0.76 -0.65 -0.68 0.00 0.00 175.30 175.51 3koy s GLN 427 N -1.44 4.47 0.54 3.54 1.11 -1.26 -3.65 119.66 122.96 3koy s GLN 427 Ca 0.25 1.00 0.26 0.00 0.01 0.00 0.00 55.36 56.88 3koy s GLN 427 Cb -0.14 -3.44 1.55 0.00 -1.01 0.00 0.00 33.01 29.96 3koy s GLN 427 CO 0.13 0.06 2.15 -0.84 0.01 0.00 0.00 175.29 176.81 3koy h ILE 428 N 4.70 0.66 -0.45 1.08 -0.00 -1.97 -1.33 117.51 120.19 3koy h ILE 428 Ca -0.41 -0.25 0.00 0.00 -0.00 0.00 0.00 64.86 64.19 3koy h ILE 428 Cb 1.20 1.15 0.00 0.00 -0.00 0.00 0.00 36.82 39.18 3koy h ILE 428 CO 0.75 0.06 0.00 -0.46 -0.00 0.00 0.00 178.15 178.50 3koy n ASN 429 N -3.91 3.44 -4.65 2.16 6.94 -1.26 -4.48 115.26 113.50 3koy n ASN 429 Ca -0.03 -1.96 -0.25 0.00 -0.02 0.00 0.00 54.58 52.33 3koy n ASN 429 Cb 0.15 -0.30 -0.00 0.00 -2.36 0.00 0.00 39.78 37.28 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 1.36 2.78 0.00 4.83 0.00 -0.50 -4.65 105.19 109.01 3koy n GLY 430 Ca 0.19 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.19 2.04 3.62 -0.02 0.00 -1.26 -4.16 105.19 104.21 3koy n GLY 431 Ca -0.02 -1.91 -0.51 0.00 0.00 0.00 0.00 46.02 43.58 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 1.94 0.39 -0.35 -0.61 2.08 -0.59 -0.85 119.36 121.37 3koy n ILE 432 Ca 0.00 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.15 3koy n ILE 432 Cb 0.00 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 37.20 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 5.06 0.79 3.66 7.39 0.00 -1.26 -1.03 105.19 119.80 3koy n GLY 433 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 3koy n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy n ALA 434 N -0.96 0.78 -3.48 4.61 0.00 -0.03 -2.91 120.51 118.52 3koy n ALA 434 Ca 0.00 0.34 -0.19 0.00 0.00 0.00 0.00 53.44 53.60 3koy n ALA 434 Cb 0.00 -2.18 0.09 0.00 0.00 0.00 0.00 19.45 17.36 3koy n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3koy n GLY 435 N 0.93 -0.39 0.78 0.00 0.00 -1.26 -4.91 105.19 100.33 3koy n GLY 435 Ca 0.07 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.26 3koy n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3koy n THR 436 N -4.31 0.60 -3.60 2.61 -2.24 -1.15 -5.04 114.28 101.15 3koy n THR 436 Ca -0.23 -1.13 -0.37 0.00 -2.27 0.00 0.00 64.05 60.05 3koy n THR 436 Cb 0.65 0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.89 5.33 -0.07 2.28 1.01 -1.26 -5.07 120.40 121.72 3koy s VAL 437 Ca 0.21 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.51 3koy s VAL 437 Cb 0.22 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3koy s VAL 437 CO -0.06 0.34 -0.08 -0.36 0.00 0.00 0.00 175.10 174.94 3koy s PHE 438 N 1.02 2.90 0.36 5.22 0.08 -1.26 -5.09 117.98 121.21 3koy s PHE 438 Ca 0.10 -0.03 -0.28 0.00 0.12 0.00 0.00 56.93 56.84 3koy s PHE 438 Cb -0.13 -1.71 -0.10 0.00 -0.57 0.00 0.00 43.02 40.50 3koy s PHE 438 CO 0.05 0.28 1.39 -2.00 -0.10 0.00 0.00 175.22 174.84 3koy s GLU 439 N -0.73 4.21 0.10 0.44 2.12 -1.26 -4.97 118.70 118.61 3koy s GLU 439 Ca 0.11 2.37 -0.30 0.00 0.36 0.00 0.00 54.97 57.51 3koy s GLU 439 Cb -0.11 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.22 3koy s GLU 439 CO 0.01 -0.37 1.04 1.03 -0.54 0.00 0.00 175.26 176.44 3koy s ARG 440 N -1.96 4.60 0.36 4.30 0.52 -1.26 -5.04 118.95 120.47 3koy s ARG 440 Ca 0.51 1.57 -0.03 0.00 -0.52 0.00 0.00 55.73 57.27 3koy s ARG 440 Cb -0.43 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 3koy s ARG 440 CO 0.57 0.05 0.61 -0.51 0.02 0.00 0.00 175.30 176.04 3koy s ASP 441 N 0.33 6.34 0.28 0.23 1.01 -1.26 -4.98 116.67 118.62 3koy s ASP 441 Ca 0.50 0.66 0.01 0.00 0.71 0.00 0.00 52.55 54.44 3koy s ASP 441 Cb -0.26 -2.12 0.67 0.00 1.01 0.00 0.00 42.92 42.22 3koy s ASP 441 CO 0.31 -0.33 1.65 -0.08 0.21 0.00 0.00 175.17 176.93 3koy h GLU 442 N 0.93 0.22 -0.88 8.23 4.81 -2.01 0.03 114.58 125.90 3koy h GLU 442 Ca -0.48 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.58 3koy h GLU 442 Cb 1.21 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.44 3koy h GLU 442 CO 0.63 0.15 0.20 -0.40 -0.73 0.00 0.00 179.01 178.85 3koy n ASP 443 N -5.21 3.60 -4.73 1.04 5.75 -1.26 -4.73 116.55 111.00 3koy n ASP 443 Ca 0.20 -2.75 -0.41 0.00 -0.01 0.00 0.00 54.79 51.82 3koy n ASP 443 Cb 0.65 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 3koy n ASP 443 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3koy s TYR 444 N -1.97 3.42 -0.13 2.11 5.04 -0.00 -4.91 117.35 120.91 3koy s TYR 444 Ca 0.32 1.39 -0.13 0.00 -2.44 0.00 0.00 57.07 56.21 3koy s TYR 444 Cb 0.26 -3.44 0.04 0.00 0.35 0.00 0.00 41.96 39.17 3koy s TYR 444 CO 0.08 -1.27 0.37 1.41 -1.34 0.00 0.00 175.55 174.80 3koy s MET 445 N -0.01 0.46 -0.08 4.97 -2.45 -1.26 -0.84 119.30 120.08 3koy s MET 445 Ca 0.54 0.46 0.02 0.00 -1.25 0.00 0.00 55.69 55.47 3koy s MET 445 Cb -0.32 0.22 0.01 0.00 1.25 0.00 0.00 34.83 35.99 3koy s MET 445 CO 0.35 -0.06 -0.15 0.00 1.05 0.00 0.00 175.02 176.21 3koy s ALA 446 N 0.06 1.52 -0.91 4.11 0.00 -1.26 -5.02 121.76 120.26 3koy s ALA 446 Ca -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 3koy s ALA 446 Cb -0.03 -0.66 0.25 0.00 0.00 0.00 0.00 23.12 22.68 3koy s ALA 446 CO 0.01 0.12 2.17 -0.35 0.00 0.00 0.00 175.76 177.71 3koy n PRO 447 N 3.83 3.84 -4.18 0.00 -0.04 -1.26 -4.93 135.00 132.26 3koy n PRO 447 Ca -0.21 -3.64 -0.13 0.00 -0.04 0.00 0.00 63.50 59.47 3koy n PRO 447 Cb 0.52 -2.37 -0.09 0.00 -0.04 0.00 0.00 33.50 31.52 3koy n PRO 447 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3koy s VAL 448 N -3.64 0.00 0.25 0.52 -7.23 -1.26 -4.06 120.40 104.98 3koy s VAL 448 Ca 0.50 -1.89 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 3koy s VAL 448 Cb 0.31 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.69 3koy s VAL 448 CO -0.24 0.00 0.81 -0.89 -0.31 0.00 0.00 175.10 174.48 3koy s THR 449 N -3.96 4.40 -1.00 5.32 2.01 -1.26 -4.22 115.64 116.94 3koy s THR 449 Ca 0.36 1.55 -0.05 0.00 0.31 0.00 0.00 61.69 63.86 3koy s THR 449 Cb 0.05 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.61 3koy s THR 449 CO 0.15 0.23 0.86 0.00 -0.69 0.00 0.00 174.62 175.17 3koy n ALA 450 N 0.78 -1.17 -2.47 7.40 0.00 -1.26 -5.01 120.51 118.78 3koy n ALA 450 Ca -0.01 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 3koy n ALA 450 Cb 0.50 -3.60 -0.05 0.00 0.00 0.00 0.00 19.45 16.31 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 -3.25 3.45 -0.15 0.00 5.04 -1.26 -4.30 115.29 114.81 3koy s HIS 451 Ca 0.31 0.78 0.02 0.00 -1.54 0.00 0.00 55.06 54.63 3koy s HIS 451 Cb -0.14 -2.19 -0.11 0.00 0.04 0.00 0.00 32.58 30.19 3koy s HIS 451 CO 0.56 0.25 -0.12 0.34 -2.34 0.00 0.00 174.74 173.43 3koy n PHE 452 N -0.36 0.00 -2.67 3.88 7.35 -1.26 -5.06 117.46 119.34 3koy n PHE 452 Ca -0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 3koy n PHE 452 Cb 0.53 -0.60 0.10 0.00 0.35 0.00 0.00 39.48 39.87 3koy n PHE 452 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3koy n GLY 453 N 2.70 0.88 3.72 7.13 0.00 -1.26 -4.97 105.19 113.40 3koy n GLY 453 Ca -0.26 -2.06 -0.62 0.00 0.00 0.00 0.00 46.02 43.08 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 -2.67 1.90 -3.69 1.61 9.36 -1.26 -4.92 117.16 117.49 3koy n TYR 454 Ca 0.16 0.81 -0.29 0.00 3.32 0.00 0.00 57.90 61.89 3koy n TYR 454 Cb 0.56 -2.36 -0.15 0.00 -0.63 0.00 0.00 39.34 36.76 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 3.22 3.56 -0.96 2.98 3.84 -1.26 -4.84 114.94 121.48 3koy s ASN 455 Ca 1.01 -1.30 -0.24 0.00 0.21 0.00 0.00 52.86 52.54 3koy s ASN 455 Cb -1.25 -0.66 0.03 0.00 -0.55 0.00 0.00 41.25 38.82 3koy s ASN 455 CO 0.72 -0.39 1.54 0.21 -2.79 0.00 0.00 177.10 176.39 3koy s ASN 456 N 1.81 6.18 -0.13 -4.21 2.47 -0.02 -4.73 114.94 116.31 3koy s ASN 456 Ca 0.06 -1.17 0.17 0.00 0.42 0.00 0.00 52.86 52.34 3koy s ASN 456 Cb -0.17 -2.57 -0.25 0.00 -1.45 0.00 0.00 41.25 36.82 3koy s ASN 456 CO -0.23 -1.80 0.29 0.52 -3.72 0.00 0.00 177.10 172.16 3koy n VAL 457 N 7.04 1.28 -0.18 -5.21 0.31 -1.26 -4.26 118.33 116.05 3koy n VAL 457 Ca 0.32 -0.80 0.06 0.00 -0.01 0.00 0.00 64.34 63.90 3koy n VAL 457 Cb 0.50 -0.55 0.11 0.00 -0.91 0.00 0.00 33.84 33.00 3koy n VAL 457 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3koy n LYS 458 N -2.77 -0.04 0.00 5.55 5.02 -1.26 0.12 118.16 124.77 3koy n LYS 458 Ca -0.25 0.79 0.03 0.00 -2.02 0.00 0.00 58.31 56.86 3koy n LYS 458 Cb 1.05 -1.22 0.18 0.00 -0.02 0.00 0.00 35.03 35.03 3koy n LYS 458 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3koy n GLN 459 N -4.72 0.17 0.00 1.97 10.64 -1.26 -1.87 117.38 122.31 3koy n GLN 459 Ca 0.10 0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.32 3koy n GLN 459 Cb 0.33 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 3koy n GLN 459 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3koy n TYR 460 N -1.06 0.00 -3.11 2.61 4.01 0.31 -5.06 117.16 114.86 3koy n TYR 460 Ca 0.04 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.83 3koy n TYR 460 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 3koy n TYR 460 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3koy s ASP 461 N -1.82 -0.37 0.64 7.72 -1.08 -0.62 -4.99 116.67 116.16 3koy s ASP 461 Ca 0.00 0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.32 3koy s ASP 461 Cb 0.00 1.15 1.43 0.00 -1.46 0.00 0.00 42.92 44.04 3koy s ASP 461 CO 0.00 -0.06 1.82 -0.33 0.52 0.00 0.00 175.17 177.12 3koy h GLU 462 N 7.03 0.00 0.00 4.34 3.07 -1.79 -0.36 114.58 126.88 3koy h GLU 462 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3koy h GLU 462 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3koy h GLU 462 CO -0.10 0.00 -0.26 0.00 -1.40 0.00 0.00 179.01 177.25 3koy n ALA 463 N -2.02 2.90 0.22 3.43 0.00 -1.26 -3.71 120.51 120.07 3koy n ALA 463 Ca 0.02 -0.21 0.04 0.00 0.00 0.00 0.00 53.44 53.29 3koy n ALA 463 Cb 0.56 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.77 3koy n ALA 463 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3koy n LEU 464 N -1.57 2.03 -0.26 0.00 4.32 -0.14 -4.70 117.00 116.67 3koy n LEU 464 Ca 0.06 -1.30 0.05 0.00 -0.02 0.00 0.00 56.01 54.81 3koy n LEU 464 Cb 0.35 -0.05 0.16 0.00 -1.62 0.00 0.00 43.42 42.26 3koy n LEU 464 CO 0.31 0.44 0.83 0.58 -1.22 0.00 0.00 177.39 178.34 3koy h VAL 465 N 1.69 0.34 -0.39 4.08 2.07 -1.64 0.13 116.25 122.53 3koy h VAL 465 Ca 0.00 -0.04 -0.21 0.00 0.82 0.00 0.00 66.70 67.27 3koy h VAL 465 Cb 0.46 0.22 -0.12 0.00 -1.52 0.00 0.00 31.29 30.33 3koy h VAL 465 CO 0.00 0.02 0.27 -1.54 0.02 0.00 0.00 177.57 176.34 3koy n SER 466 N -5.33 3.80 -2.60 0.57 3.41 -1.26 -4.09 113.62 108.11 3koy n SER 466 Ca 0.14 -2.68 -0.04 0.00 -0.26 0.00 0.00 58.87 56.02 3koy n SER 466 Cb 0.48 -0.71 0.02 0.00 -0.26 0.00 0.00 64.21 63.75 3koy n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3koy n GLU 467 N -0.02 0.46 -0.22 4.33 -0.58 0.43 -5.03 120.64 119.99 3koy n GLU 467 Ca 0.24 -0.94 0.31 0.00 -0.42 0.00 0.00 57.16 56.34 3koy n GLU 467 Cb 0.89 0.00 0.63 0.00 -0.57 0.00 0.00 31.44 32.39 3koy n GLU 467 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3koy h PRO 468 N 1.28 0.00 -0.24 3.49 0.11 -1.68 0.15 132.00 135.11 3koy h PRO 468 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3koy h PRO 468 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3koy h PRO 468 CO -0.17 0.00 -0.06 0.66 -0.21 0.00 0.00 178.00 178.22 3koy h SER 469 N 0.00 0.35 0.21 -2.05 4.64 -1.73 -1.86 113.55 113.10 3koy h SER 469 Ca 0.49 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3koy h SER 469 Cb 2.46 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 64.46 3koy h SER 469 CO -0.01 0.46 -0.01 0.11 -0.87 0.00 0.00 176.83 176.52 3koy h LYS 470 N 0.36 0.00 -0.40 4.77 1.57 -1.00 0.40 116.57 122.26 3koy h LYS 470 Ca 0.08 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.97 3koy h LYS 470 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3koy h LYS 470 CO 0.02 0.01 0.33 1.25 -0.57 0.00 0.00 179.45 180.48 3koy h LEU 471 N 0.00 0.00 -2.82 2.94 5.85 -1.51 -2.40 115.31 117.38 3koy h LEU 471 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3koy h LEU 471 Cb 0.11 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 40.98 3koy h LEU 471 CO 0.00 0.00 -0.67 2.30 -0.34 0.00 0.00 178.44 179.73 3koy n ILE 472 N -4.11 0.85 -2.56 4.05 -5.35 -0.34 -4.98 119.36 106.93 3koy n ILE 472 Ca 0.07 -1.61 -0.12 0.00 -0.27 0.00 0.00 62.75 60.82 3koy n ILE 472 Cb 0.52 0.41 0.01 0.00 -1.74 0.00 0.00 39.64 38.84 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 -0.28 -3.93 0.00 7.28 8.00 -0.90 -4.80 116.55 121.92 3koy n ASP 473 Ca 0.10 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3koy n ASP 473 Cb 0.88 -2.90 0.00 0.00 -0.02 0.00 0.00 41.12 39.08 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 -1.13 -0.69 1.86 0.44 0.00 0.13 -4.87 105.19 100.92 3koy n GLY 474 Ca -0.08 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.24 0.44 0.00 0.00 1.35 -1.95 0.88 112.91 112.40 3koy h THR 476 Ca -0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3koy h THR 476 Cb 0.57 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3koy h THR 476 CO 0.15 0.00 0.00 -0.07 -0.25 0.00 0.00 175.52 175.35 3koy h LEU 477 N 0.00 0.00 0.00 3.87 3.38 -1.97 -3.12 115.31 117.47 3koy h LEU 477 Ca 0.06 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 3koy h LEU 477 Cb 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3koy h LEU 477 CO -0.00 0.00 -2.06 -0.62 0.09 0.00 0.00 178.44 175.85 3koy n GLU 478 N -2.81 0.45 -3.93 1.13 4.71 -0.01 -4.88 120.64 115.30 3koy n GLU 478 Ca 0.00 0.13 -0.30 0.00 -0.01 0.00 0.00 57.16 56.98 3koy n GLU 478 Cb 0.23 -1.32 -0.14 0.00 -1.01 0.00 0.00 31.44 29.20 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 -2.36 2.57 -0.10 2.62 1.01 0.10 -4.94 120.40 119.30 3koy s VAL 479 Ca -0.25 -3.46 0.26 0.00 0.00 0.00 0.00 61.98 58.53 3koy s VAL 479 Cb 0.07 -2.77 0.26 0.00 0.00 0.00 0.00 36.38 33.95 3koy s VAL 479 CO 0.40 -0.84 1.79 -0.65 0.00 0.00 0.00 175.10 175.80 3koy h PRO 480 N 6.31 0.00 0.00 2.72 0.11 -1.81 -1.21 132.00 138.11 3koy h PRO 480 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3koy h PRO 480 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 3koy h PRO 480 CO 0.68 0.00 -0.11 0.93 -0.21 0.00 0.00 178.00 179.29 3koy h GLU 481 N 0.00 0.00 0.00 1.05 3.07 -1.92 -2.94 114.58 113.84 3koy h GLU 481 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3koy h GLU 481 Cb 0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3koy h GLU 481 CO 0.00 0.11 -0.08 0.87 -1.40 0.00 0.00 179.01 178.51 3koy h LYS 482 N 0.00 0.00 -6.70 2.33 1.57 -1.58 -3.45 116.57 108.74 3koy h LYS 482 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3koy h LYS 482 Cb 0.60 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.98 3koy h LYS 482 CO 0.01 0.08 0.93 -0.89 -0.57 0.00 0.00 179.45 179.01 3koy n ILE 483 N -3.24 0.46 -3.31 1.86 5.41 -1.11 -4.98 119.36 114.45 3koy n ILE 483 Ca -0.00 -0.11 -0.40 0.00 1.00 0.00 0.00 62.75 63.24 3koy n ILE 483 Cb 0.32 -1.93 -0.08 0.00 -0.71 0.00 0.00 39.64 37.23 3koy n ILE 483 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3koy s VAL 484 N 0.62 5.12 -0.44 1.39 1.01 -1.26 -5.05 120.40 121.79 3koy s VAL 484 Ca 0.70 0.71 -0.15 0.00 0.00 0.00 0.00 61.98 63.24 3koy s VAL 484 Cb -0.52 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.14 3koy s VAL 484 CO 0.40 0.11 0.35 -0.47 0.00 0.00 0.00 175.10 175.49 3koy s TYR 485 N 2.20 3.24 -0.13 5.22 5.04 -1.26 -5.06 117.35 126.59 3koy s TYR 485 Ca 0.18 -0.80 -0.21 0.00 -2.44 0.00 0.00 57.07 53.81 3koy s TYR 485 Cb -0.16 -2.91 -0.03 0.00 0.35 0.00 0.00 41.96 39.21 3koy s TYR 485 CO 0.10 -0.71 0.61 0.42 -1.34 0.00 0.00 175.55 174.62 3koy s ILE 486 N 1.65 5.08 -0.04 3.14 1.01 -1.26 -5.02 121.20 125.77 3koy s ILE 486 Ca 0.04 1.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.88 3koy s ILE 486 Cb -0.22 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 3koy s ILE 486 CO 0.08 0.22 -0.02 -0.78 0.00 0.00 0.00 174.94 174.44 3koy h ASP 487 N 7.03 0.00 -4.67 3.58 3.58 -1.97 -3.37 116.42 120.59 3koy h ASP 487 Ca -0.37 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 56.90 3koy h ASP 487 Cb 1.17 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 41.99 3koy h ASP 487 CO 0.76 0.21 -0.67 -1.61 -2.88 0.00 0.00 179.24 175.05 3koy s GLU 488 N -1.27 0.26 -0.09 0.28 0.41 -1.26 -3.34 118.70 113.69 3koy s GLU 488 Ca -0.01 -0.42 -0.10 0.00 -0.41 0.00 0.00 54.97 54.03 3koy s GLU 488 Cb 0.00 0.10 -0.03 0.00 -1.78 0.00 0.00 34.13 32.42 3koy s GLU 488 CO 0.02 -0.05 -0.19 1.28 -0.49 0.00 0.00 175.26 175.84 3koy n LEU 489 N 1.94 1.14 -4.77 1.80 4.77 -1.26 -4.97 117.00 115.65 3koy n LEU 489 Ca -0.21 0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 3koy n LEU 489 Cb 0.56 -0.59 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3koy n LEU 489 CO 0.21 -0.40 1.02 -0.62 -1.33 0.00 0.00 177.39 176.27 3koy s ASP 490 N -5.24 6.05 0.00 -1.43 -1.08 -1.26 -4.94 116.67 108.78 3koy s ASP 490 Ca -0.16 2.79 0.14 0.00 -0.52 0.00 0.00 52.55 54.81 3koy s ASP 490 Cb 0.02 -2.65 -0.01 0.00 -1.46 0.00 0.00 42.92 38.83 3koy s ASP 490 CO 0.23 -1.04 0.77 -0.62 0.52 0.00 0.00 175.17 175.04 3koy n GLU 491 N -0.08 1.83 -0.11 4.34 4.71 -1.26 -4.51 120.64 125.57 3koy n GLU 491 Ca 0.05 -0.72 -0.16 0.00 -0.01 0.00 0.00 57.16 56.32 3koy n GLU 491 Cb 0.43 -1.21 -0.06 0.00 -1.01 0.00 0.00 31.44 29.60 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 -0.20 1.94 -4.56 1.62 3.02 -1.26 -4.87 115.26 110.94 3koy n ASN 492 Ca 0.06 0.36 -0.40 0.00 -0.03 0.00 0.00 54.58 54.57 3koy n ASN 492 Cb 0.29 -0.78 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 3koy n ASN 492 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3koy s ASP 493 N -6.46 6.37 -0.09 6.41 -1.08 -1.26 -4.70 116.67 115.86 3koy s ASP 493 Ca -0.31 -1.44 -0.32 0.00 -0.52 0.00 0.00 52.55 49.96 3koy s ASP 493 Cb 0.08 -2.57 0.12 0.00 -1.46 0.00 0.00 42.92 39.08 3koy s ASP 493 CO 0.44 -1.62 1.03 0.54 0.52 0.00 0.00 175.17 176.08 3koy s ASN 494 N 5.25 -0.26 0.27 -0.34 2.20 -1.25 -3.99 114.94 116.82 3koy s ASN 494 Ca 0.49 -0.00 -0.02 0.00 -0.94 0.00 0.00 52.86 52.39 3koy s ASN 494 Cb -0.00 0.28 0.44 0.00 -2.00 0.00 0.00 41.25 39.96 3koy s ASN 494 CO -0.08 -0.45 1.86 1.62 -2.94 0.00 0.00 177.10 177.12 3koy h VAL 495 N 2.00 1.03 -0.35 3.54 3.04 -1.86 -1.00 116.25 122.65 3koy h VAL 495 Ca -0.16 -0.38 0.06 0.00 -1.01 0.00 0.00 66.70 65.21 3koy h VAL 495 Cb 1.21 -0.16 -0.05 0.00 -2.01 0.00 0.00 31.29 30.28 3koy h VAL 495 CO 0.27 0.20 0.05 0.78 -1.01 0.00 0.00 177.57 177.86 3koy h ASN 496 N 1.10 -0.03 -0.07 3.17 2.35 -1.95 1.25 115.58 121.40 3koy h ASN 496 Ca 0.44 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 56.23 3koy h ASN 496 Cb 0.26 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 3koy h ASN 496 CO -0.20 0.02 -0.06 0.58 -1.65 0.00 0.00 177.43 176.12 3koy h VAL 497 N 0.16 1.36 -0.67 2.81 2.07 -1.74 -1.49 116.25 118.76 3koy h VAL 497 Ca 0.17 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.55 3koy h VAL 497 Cb 0.21 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 3koy h VAL 497 CO -0.24 0.33 0.38 -0.09 0.02 0.00 0.00 177.57 177.97 3koy h ARG 498 N -0.26 0.68 -0.24 1.57 2.43 -0.81 -2.69 114.38 115.05 3koy h ARG 498 Ca 0.01 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3koy h ARG 498 Cb 0.56 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3koy h ARG 498 CO 0.02 0.45 0.02 0.52 -1.51 0.00 0.00 179.97 179.47 3koy h MET 499 N 0.70 0.41 0.00 0.20 2.86 0.17 -3.07 114.93 116.19 3koy h MET 499 Ca 0.30 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3koy h MET 499 Cb 0.18 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3koy h MET 499 CO -0.18 0.56 0.00 -1.91 1.06 0.00 0.00 176.91 176.44 3koy n GLU 500 N -4.68 0.16 0.16 1.72 0.00 -0.57 -0.21 120.64 117.22 3koy n GLU 500 Ca -0.04 0.12 0.12 0.00 0.00 0.00 0.00 57.16 57.37 3koy n GLU 500 Cb 0.22 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.36 3koy n GLU 500 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3koy h GLU 501 N 0.00 0.00 -0.05 5.31 5.08 -1.49 -3.30 114.58 120.13 3koy h GLU 501 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3koy h GLU 501 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3koy h GLU 501 CO 0.00 0.00 -0.38 0.25 -1.00 0.00 0.00 179.01 177.88 3koy n THR 502 N -2.72 2.21 -0.24 1.13 -2.24 0.71 -4.76 114.28 108.37 3koy n THR 502 Ca 0.04 -3.05 -0.04 0.00 -2.27 0.00 0.00 64.05 58.73 3koy n THR 502 Cb 0.50 -0.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.89 -0.11 -0.89 -0.78 1.57 -1.64 -1.96 116.57 113.64 3koy h LYS 503 Ca 0.03 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.03 3koy h LYS 503 Cb 1.09 0.03 -0.16 0.00 0.08 0.00 0.00 32.23 33.26 3koy h LYS 503 CO 0.05 -0.08 -0.02 1.05 -0.57 0.00 0.00 179.45 179.88 3koy h GLU 504 N -0.12 0.05 -0.85 3.15 4.11 -1.90 -2.36 114.58 116.67 3koy h GLU 504 Ca 0.26 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 3koy h GLU 504 Cb 0.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3koy h GLU 504 CO -0.75 0.03 0.00 1.19 0.07 0.00 0.00 179.01 179.55 3koy n PHE 505 N -5.44 0.62 -2.96 2.06 3.01 -0.74 -4.07 117.46 109.95 3koy n PHE 505 Ca 0.18 -0.22 -0.14 0.00 1.01 0.00 0.00 57.45 58.29 3koy n PHE 505 Cb 0.59 -0.22 0.02 0.00 -0.01 0.00 0.00 39.48 39.87 3koy n PHE 505 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3koy n ARG 506 N 0.19 1.02 0.00 -1.08 1.74 -0.89 -4.93 116.66 112.71 3koy n ARG 506 Ca 0.08 -2.81 0.00 0.00 -0.77 0.00 0.00 57.85 54.35 3koy n ARG 506 Cb 0.53 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 3koy n ARG 506 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3koy n SER 509 N 0.21 1.41 -4.62 0.55 3.41 -1.26 -5.04 113.62 108.28 3koy n SER 509 Ca 0.16 -1.42 -0.28 0.00 -0.26 0.00 0.00 58.87 57.06 3koy n SER 509 Cb 0.70 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.85 3koy n SER 509 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3koy s MET 510 N -0.42 0.01 0.01 4.33 -1.94 -1.26 -2.21 119.30 117.82 3koy s MET 510 Ca 0.00 0.59 -0.22 0.00 -1.71 0.00 0.00 55.69 54.35 3koy s MET 510 Cb 0.00 -1.68 0.05 0.00 2.01 0.00 0.00 34.83 35.21 3koy s MET 510 CO 0.00 -3.04 0.50 -1.50 -0.01 0.00 0.00 175.02 170.97 3koy s ILE 511 N -2.83 0.03 0.15 2.53 2.07 -0.83 -4.83 121.20 117.50 3koy s ILE 511 Ca 0.66 -0.27 -0.17 0.00 -1.41 0.00 0.00 60.65 59.46 3koy s ILE 511 Cb -0.20 -0.91 0.04 0.00 0.13 0.00 0.00 42.46 41.52 3koy s ILE 511 CO 0.60 -0.15 0.47 -1.59 -1.91 0.00 0.00 174.94 172.36 3koy s LYS 512 N -1.94 1.21 0.78 3.50 -2.85 -1.26 -2.56 119.74 116.61 3koy s LYS 512 Ca -0.08 -0.73 -0.13 0.00 -1.00 0.00 0.00 55.97 54.02 3koy s LYS 512 Cb -0.01 0.50 0.07 0.00 -2.06 0.00 0.00 37.83 36.33 3koy s LYS 512 CO 0.02 -0.50 1.19 -1.25 0.10 0.00 0.00 175.35 174.91 3koy s PRO 513 N -3.82 1.85 0.04 1.78 0.04 -1.26 -4.64 135.00 128.98 3koy s PRO 513 Ca 0.05 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 3koy s PRO 513 Cb 0.00 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.75 3koy s PRO 513 CO -0.09 -2.04 0.24 -1.83 0.04 0.00 0.00 177.00 173.32 3koy s GLU 514 N -4.15 0.72 -0.10 4.56 -1.05 -1.26 -0.85 118.70 116.57 3koy s GLU 514 Ca 0.72 -0.55 0.04 0.00 -0.15 0.00 0.00 54.97 55.03 3koy s GLU 514 Cb -0.27 0.30 -0.09 0.00 -0.44 0.00 0.00 34.13 33.64 3koy s GLU 514 CO 0.49 -0.21 -0.04 1.33 0.95 0.00 0.00 175.26 177.78 3koy n VAL 515 N 0.72 0.61 0.00 1.83 0.24 -1.26 -4.84 118.33 115.63 3koy n VAL 515 Ca -0.19 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 3koy n VAL 515 Cb 0.59 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 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 -2.58 0.00 -4.68 7.34 0.28 -1.26 -0.72 120.64 119.02 3koy n GLU 516 Ca -0.17 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.52 3koy n GLU 516 Cb 0.74 -0.39 -0.12 0.00 1.43 0.00 0.00 31.44 33.10 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 -1.00 2.64 -0.40 -1.84 0.51 -1.26 -4.63 118.94 112.96 3koy s TRP 517 Ca 0.00 -0.20 -0.43 0.00 -2.12 0.00 0.00 56.10 53.35 3koy s TRP 517 Cb 0.00 -1.52 -0.17 0.00 -0.81 0.00 0.00 33.47 30.96 3koy s TRP 517 CO 0.00 0.25 1.78 0.94 -0.51 0.00 0.00 176.95 179.41 3koy n GLN 518 N 1.71 0.58 -1.69 4.98 7.27 -1.26 -0.45 117.38 128.52 3koy n GLN 518 Ca -0.16 0.20 -0.15 0.00 0.07 0.00 0.00 57.00 56.96 3koy n GLN 518 Cb 0.52 -1.83 -0.05 0.00 2.41 0.00 0.00 30.24 31.29 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 5.49 -0.30 0.24 1.69 0.00 -1.26 -4.87 120.51 121.50 3koy n ALA 519 Ca 0.33 0.22 0.09 0.00 0.00 0.00 0.00 53.44 54.07 3koy n ALA 519 Cb 0.05 -1.69 0.44 0.00 0.00 0.00 0.00 19.45 18.25 3koy n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3koy n ASP 520 N -0.63 0.45 0.00 0.00 5.68 0.40 -4.83 116.55 117.62 3koy n ASP 520 Ca -0.16 0.67 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 3koy n ASP 520 Cb 0.55 -0.74 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 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 -0.81 2.95 3.77 6.12 0.00 -0.03 -4.86 105.19 112.33 3koy n GLY 521 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3koy n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3koy s THR 522 N -1.70 2.57 0.21 2.61 2.01 -1.26 -2.43 115.64 117.65 3koy s THR 522 Ca 0.00 0.52 -0.00 0.00 0.31 0.00 0.00 61.69 62.52 3koy s THR 522 Cb 0.00 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3koy s THR 522 CO 0.00 0.09 0.10 0.68 -0.69 0.00 0.00 174.62 174.80 3koy s VAL 523 N -1.23 0.24 -0.07 3.82 -7.23 0.11 -4.21 120.40 111.82 3koy s VAL 523 Ca 0.56 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 3koy s VAL 523 Cb -0.39 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 3koy s VAL 523 CO 0.51 -0.09 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.85 3koy s LEU 524 N -3.20 2.74 -0.16 1.32 2.96 -1.26 -1.38 118.68 119.71 3koy s LEU 524 Ca 0.36 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3koy s LEU 524 Cb 0.07 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.20 3koy s LEU 524 CO 0.11 0.29 -0.20 -0.22 -1.32 0.00 0.00 176.35 175.01 3koy s LEU 525 N -0.41 2.18 -0.22 -0.68 2.96 0.21 -4.94 118.68 117.77 3koy s LEU 525 Ca 0.05 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 3koy s LEU 525 Cb -0.12 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.13 3koy s LEU 525 CO 0.02 0.04 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.07 3koy s THR 526 N 1.04 2.01 0.19 3.68 2.01 -1.26 -0.00 115.64 123.32 3koy s THR 526 Ca -0.01 -1.28 -0.01 0.00 0.31 0.00 0.00 61.69 60.70 3koy s THR 526 Cb -0.14 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 3koy s THR 526 CO -0.07 0.19 0.13 0.00 -0.69 0.00 0.00 174.62 174.19 3koy s MET 527 N 1.23 1.18 -0.09 4.92 0.23 -0.42 -5.01 119.30 121.34 3koy s MET 527 Ca -0.03 -1.60 0.01 0.00 -1.03 0.00 0.00 55.69 53.04 3koy s MET 527 Cb -0.17 0.27 0.02 0.00 -1.53 0.00 0.00 34.83 33.42 3koy s MET 527 CO -0.08 -0.38 -0.09 0.12 -2.03 0.00 0.00 175.02 172.55 3koy s PHE 528 N -4.14 1.42 -0.07 3.16 5.36 -1.26 -0.93 117.98 121.52 3koy s PHE 528 Ca 0.37 -0.62 0.03 0.00 -0.96 0.00 0.00 56.93 55.75 3koy s PHE 528 Cb 0.07 -1.13 -0.02 0.00 -0.34 0.00 0.00 43.02 41.60 3koy s PHE 528 CO 0.11 -0.39 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.81 3koy s LEU 529 N 1.21 2.64 -1.37 6.12 1.43 -1.03 -4.98 118.68 122.70 3koy s LEU 529 Ca -0.04 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.63 3koy s LEU 529 Cb -0.14 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3koy s LEU 529 CO -0.03 0.29 2.07 -2.65 0.23 0.00 0.00 176.35 176.27 3koy n PRO 530 N 2.71 2.84 -3.86 1.29 -0.02 -1.26 -1.62 135.00 135.07 3koy n PRO 530 Ca -0.17 -2.73 -0.05 0.00 -2.02 0.00 0.00 63.50 58.52 3koy n PRO 530 Cb 0.52 -3.33 0.02 0.00 -0.02 0.00 0.00 33.50 30.69 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 3.76 0.00 0.82 3.45 -1.32 -1.26 -4.72 115.64 116.36 3koy s THR 531 Ca 0.50 -0.74 -0.13 0.00 -1.21 0.00 0.00 61.69 60.11 3koy s THR 531 Cb 0.11 -2.95 0.07 0.00 -1.51 0.00 0.00 72.50 68.22 3koy s THR 531 CO -0.03 0.00 1.04 -1.54 -2.21 0.00 0.00 174.62 171.88 3koy n SER 532 N -1.35 0.41 0.06 8.08 3.41 -1.25 -3.79 113.62 119.18 3koy n SER 532 Ca -0.05 0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 58.99 3koy n SER 532 Cb 0.60 -1.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.02 3koy n SER 532 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3koy h LYS 533 N -0.97 -0.10 -0.42 4.33 2.10 -1.92 -0.78 116.57 118.81 3koy h LYS 533 Ca -0.46 0.01 0.08 0.00 -2.00 0.00 0.00 60.65 58.28 3koy h LYS 533 Cb 1.30 0.02 -0.08 0.00 -0.90 0.00 0.00 32.23 32.58 3koy h LYS 533 CO 0.44 0.10 -0.08 -0.09 -2.00 0.00 0.00 179.45 177.82 3koy h ARG 534 N -0.28 0.03 0.20 0.07 9.65 -1.99 -0.04 114.38 122.02 3koy h ARG 534 Ca -0.01 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 3koy h ARG 534 Cb 0.24 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3koy h ARG 534 CO 0.02 0.02 -0.09 0.28 2.80 0.00 0.00 179.97 182.99 3koy h VAL 535 N 0.03 0.86 -0.90 0.20 2.07 -1.93 -2.91 116.25 113.66 3koy h VAL 535 Ca 0.20 -0.24 0.25 0.00 0.82 0.00 0.00 66.70 67.73 3koy h VAL 535 Cb 0.31 1.01 -0.14 0.00 -1.52 0.00 0.00 31.29 30.94 3koy h VAL 535 CO -0.41 0.06 0.33 0.00 0.02 0.00 0.00 177.57 177.56 3koy h ALA 536 N 0.40 1.43 0.11 1.67 0.00 -0.59 -1.25 119.26 121.03 3koy h ALA 536 Ca -0.03 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3koy h ALA 536 Cb 0.30 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3koy h ALA 536 CO 0.04 -0.46 -0.07 1.49 0.00 0.00 0.00 179.25 180.25 3koy h GLU 537 N 0.26 -0.17 0.00 0.00 4.81 -0.82 0.62 114.58 119.29 3koy h GLU 537 Ca 0.59 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.75 3koy h GLU 537 Cb 1.21 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3koy h GLU 537 CO -0.62 -0.11 -0.37 0.74 -0.73 0.00 0.00 179.01 177.92 3koy h PHE 538 N -0.18 0.00 -0.19 0.92 0.04 -1.23 -1.89 116.94 114.42 3koy h PHE 538 Ca -0.01 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 3koy h PHE 538 Cb 0.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 3koy h PHE 538 CO -0.08 0.37 -0.27 0.00 -0.60 0.00 0.00 178.31 177.73 3koy h ALA 539 N 1.63 0.29 -0.78 2.45 0.00 -1.08 -2.90 119.26 118.87 3koy h ALA 539 Ca -0.00 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.54 3koy h ALA 539 Cb 0.84 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3koy h ALA 539 CO 0.05 0.28 0.50 0.00 0.00 0.00 0.00 179.25 180.08 3koy h ALA 540 N 0.61 1.02 -0.47 0.00 0.00 -0.57 -0.24 119.26 119.62 3koy h ALA 540 Ca 0.02 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3koy h ALA 540 Cb 0.84 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 3koy h ALA 540 CO 0.06 0.32 0.06 0.82 0.00 0.00 0.00 179.25 180.51 3koy h ILE 541 N 0.98 0.71 -0.45 0.00 1.08 -1.34 -1.24 117.51 117.25 3koy h ILE 541 Ca 0.31 -0.06 -0.05 0.00 -0.39 0.00 0.00 64.86 64.67 3koy h ILE 541 Cb -0.00 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 3koy h ILE 541 CO -0.11 0.03 0.10 -0.33 -0.69 0.00 0.00 178.15 177.16 3koy h GLU 542 N 0.19 0.72 -0.21 2.37 4.39 -0.90 -0.64 114.58 120.51 3koy h GLU 542 Ca 0.23 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.78 3koy h GLU 542 Cb 0.32 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3koy h GLU 542 CO -0.33 0.73 0.04 0.74 -1.16 0.00 0.00 179.01 179.02 3koy h PHE 543 N 0.59 0.07 -0.72 4.33 0.04 -0.95 0.16 116.94 120.47 3koy h PHE 543 Ca 0.14 0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.05 3koy h PHE 543 Cb 0.34 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.40 3koy h PHE 543 CO 0.02 0.02 0.27 0.00 -0.60 0.00 0.00 178.31 178.02 3koy h ALA 544 N 1.15 0.98 -0.46 2.45 0.00 -0.81 0.15 119.26 122.71 3koy h ALA 544 Ca 0.09 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3koy h ALA 544 Cb 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3koy h ALA 544 CO -0.13 -0.21 -0.15 0.87 0.00 0.00 0.00 179.25 179.63 3koy h LYS 545 N 0.43 0.92 0.00 0.00 1.57 -0.78 -2.40 116.57 116.30 3koy h LYS 545 Ca 0.38 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3koy h LYS 545 Cb 0.56 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3koy h LYS 545 CO -0.38 1.03 -0.04 0.87 -0.57 0.00 0.00 179.45 180.35 3koy h LYS 546 N 0.76 0.00 -0.76 3.15 1.79 0.44 -0.55 116.57 121.41 3koy h LYS 546 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3koy h LYS 546 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 3koy h LYS 546 CO 0.05 0.04 0.00 -1.33 -1.08 0.00 0.00 179.45 177.13 3koy n MET 547 N -3.33 3.30 -2.32 3.15 2.81 0.42 -4.93 117.12 116.22 3koy n MET 547 Ca -0.02 -1.85 -0.17 0.00 -1.81 0.00 0.00 57.70 53.85 3koy n MET 547 Cb 0.18 -1.95 -0.01 0.00 -0.71 0.00 0.00 33.22 30.72 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 0.37 -5.08 -4.81 7.83 3.02 -0.22 -5.01 115.26 111.36 3koy n ASN 548 Ca 0.16 -0.01 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 3koy n ASN 548 Cb 0.81 -4.16 -0.06 0.00 -0.61 0.00 0.00 39.78 35.75 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 -4.96 4.36 0.09 3.41 1.43 -0.98 -4.40 118.68 117.62 3koy s LEU 549 Ca 0.00 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3koy s LEU 549 Cb 0.00 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3koy s LEU 549 CO 0.00 0.28 0.18 -1.83 0.23 0.00 0.00 176.35 175.21 3koy s GLU 550 N -0.51 3.26 -1.51 1.70 4.04 0.27 -4.48 118.70 121.47 3koy s GLU 550 Ca 0.17 -0.56 -0.06 0.00 0.04 0.00 0.00 54.97 54.57 3koy s GLU 550 Cb -0.13 -2.92 0.01 0.00 0.02 0.00 0.00 34.13 31.10 3koy s GLU 550 CO 0.06 0.58 0.74 -0.85 -1.84 0.00 0.00 175.26 173.95 3koy n GLU 551 N 0.17 -5.56 -1.76 -4.83 -0.00 -1.26 -0.30 120.64 107.09 3koy n GLU 551 Ca -0.06 0.88 -0.41 0.00 -0.00 0.00 0.00 57.16 57.56 3koy n GLU 551 Cb 0.52 -5.79 -0.01 0.00 -0.00 0.00 0.00 31.44 26.17 3koy n GLU 551 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3koy n VAL 552 N -4.62 1.65 -3.72 3.84 0.31 -1.26 -4.71 118.33 109.83 3koy n VAL 552 Ca -0.08 -0.41 -0.13 0.00 -0.01 0.00 0.00 64.34 63.70 3koy n VAL 552 Cb 0.60 -1.95 -0.14 0.00 -0.91 0.00 0.00 33.84 31.45 3koy n VAL 552 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3koy s GLU 553 N -1.53 0.15 0.05 5.55 2.02 -0.86 -5.01 118.70 119.07 3koy s GLU 553 Ca 0.57 0.52 -0.30 0.00 0.02 0.00 0.00 54.97 55.78 3koy s GLU 553 Cb -0.49 -0.14 -0.08 0.00 0.10 0.00 0.00 34.13 33.52 3koy s GLU 553 CO 0.58 -0.20 1.66 0.08 0.02 0.00 0.00 175.26 177.40 3koy s VAL 554 N 1.51 3.15 0.00 2.63 1.01 -1.26 -2.18 120.40 125.26 3koy s VAL 554 Ca -0.06 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3koy s VAL 554 Cb -0.11 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3koy s VAL 554 CO -0.08 -0.01 0.43 2.30 0.00 0.00 0.00 175.10 177.74 3koy n ILE 555 N 4.87 0.00 -3.58 2.22 -5.35 0.20 -4.97 119.36 112.75 3koy n ILE 555 Ca 0.16 -0.49 -0.00 0.00 -0.27 0.00 0.00 62.75 62.15 3koy n ILE 555 Cb 0.41 1.02 -0.04 0.00 -1.74 0.00 0.00 39.64 39.29 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 -0.12 -0.98 -0.10 7.28 2.47 -1.14 -4.80 114.94 117.56 3koy s ASN 556 Ca 0.00 1.36 -0.00 0.00 0.42 0.00 0.00 52.86 54.63 3koy s ASN 556 Cb 0.00 2.10 -0.03 0.00 -1.45 0.00 0.00 41.25 41.88 3koy s ASN 556 CO 0.00 -0.19 -0.08 -0.13 -3.72 0.00 0.00 177.10 172.98 3koy s ARG 557 N 2.74 3.03 -0.01 0.43 0.52 -1.26 -1.33 118.95 123.07 3koy s ARG 557 Ca -0.05 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 3koy s ARG 557 Cb -0.10 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 32.72 3koy s ARG 557 CO -0.19 0.50 -0.04 -1.21 0.02 0.00 0.00 175.30 174.38 3koy s GLU 558 N -0.37 0.47 -0.36 3.54 2.02 -0.79 -5.01 118.70 118.20 3koy s GLU 558 Ca 0.05 -0.13 -0.24 0.00 0.02 0.00 0.00 54.97 54.67 3koy s GLU 558 Cb -0.12 -0.49 0.01 0.00 0.10 0.00 0.00 34.13 33.62 3koy s GLU 558 CO 0.02 0.04 0.83 0.08 0.02 0.00 0.00 175.26 176.25 3koy s VAL 559 N 0.22 4.69 -0.03 2.63 1.01 -1.26 -0.47 120.40 127.20 3koy s VAL 559 Ca -0.02 1.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.77 3koy s VAL 559 Cb -0.06 -4.24 -0.13 0.00 0.00 0.00 0.00 36.38 31.95 3koy s VAL 559 CO -0.00 -0.45 0.85 0.24 0.00 0.00 0.00 175.10 175.74 3koy h MET 560 N 8.44 -0.43 -2.51 2.72 0.00 -1.71 -3.46 114.93 117.97 3koy h MET 560 Ca -0.24 0.03 -0.09 0.00 0.00 0.00 0.00 59.70 59.40 3koy h MET 560 Cb 1.09 0.10 -0.24 0.00 0.00 0.00 0.00 31.60 32.55 3koy h MET 560 CO 0.93 -0.13 -0.15 -1.14 0.00 0.00 0.00 176.91 176.41 3koy s GLN 561 N -3.69 0.55 0.15 1.72 -0.44 -0.81 -4.94 119.66 112.19 3koy s GLN 561 Ca -0.11 0.76 -0.14 0.00 -2.50 0.00 0.00 55.36 53.37 3koy s GLN 561 Cb 0.01 0.21 0.12 0.00 -1.64 0.00 0.00 33.01 31.70 3koy s GLN 561 CO 0.39 -0.09 1.06 -1.91 0.50 0.00 0.00 175.29 175.23 3koy n GLU 562 N 3.24 -0.19 0.05 1.67 2.13 -1.26 -0.78 120.64 125.50 3koy n GLU 562 Ca -0.16 1.05 -0.22 0.00 0.66 0.00 0.00 57.16 58.48 3koy n GLU 562 Cb 0.56 -1.55 -0.15 0.00 0.27 0.00 0.00 31.44 30.58 3koy n GLU 562 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3koy h ALA 563 N 0.81 0.12 0.00 4.31 0.00 -1.97 -3.34 119.26 119.18 3koy h ALA 563 Ca 0.21 -1.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.00 3koy h ALA 563 Cb 0.38 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3koy h ALA 563 CO -0.67 0.87 -0.27 0.93 0.00 0.00 0.00 179.25 180.11 3koy h GLU 564 N -0.09 0.00 0.00 0.00 4.39 -1.26 -3.36 114.58 114.27 3koy h GLU 564 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3koy h GLU 564 Cb 1.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.59 3koy h GLU 564 CO 0.14 0.27 0.00 0.41 -1.16 0.00 0.00 179.01 178.67 3koy n GLY 565 N 0.19 1.29 3.05 -3.84 0.00 -0.67 -4.22 105.19 100.99 3koy n GLY 565 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.88 -0.04 0.15 2.61 2.01 -0.64 -1.81 115.64 116.04 3koy s THR 566 Ca 0.00 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 3koy s THR 566 Cb 0.00 -0.37 -0.07 0.00 0.01 0.00 0.00 72.50 72.08 3koy s THR 566 CO 0.00 0.06 0.96 -0.60 -0.69 0.00 0.00 174.62 174.34 3koy s ARG 567 N 1.16 4.75 -0.01 4.92 3.52 0.38 -2.47 118.95 131.20 3koy s ARG 567 Ca -0.08 1.47 0.02 0.00 -0.13 0.00 0.00 55.73 57.00 3koy s ARG 567 Cb -0.10 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.95 3koy s ARG 567 CO -0.08 0.30 -0.07 0.42 -0.81 0.00 0.00 175.30 175.07 3koy s ILE 568 N -0.36 0.61 -0.04 4.11 -1.09 -0.11 -1.89 121.20 122.43 3koy s ILE 568 Ca 0.45 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.61 3koy s ILE 568 Cb -0.24 -0.53 -0.00 0.00 -1.58 0.00 0.00 42.46 40.10 3koy s ILE 568 CO 0.31 0.19 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.44 3koy s GLU 569 N 0.03 1.56 -0.02 2.79 2.02 -0.44 -1.30 118.70 123.34 3koy s GLU 569 Ca -0.00 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 54.49 3koy s GLU 569 Cb -0.05 -1.38 -0.00 0.00 0.10 0.00 0.00 34.13 32.79 3koy s GLU 569 CO -0.00 0.22 -0.11 -0.51 0.02 0.00 0.00 175.26 174.88 3koy s LEU 570 N 0.05 1.94 -0.03 1.80 1.02 1.00 -0.63 118.68 123.84 3koy s LEU 570 Ca -0.03 -0.20 -0.13 0.00 0.02 0.00 0.00 54.13 53.79 3koy s LEU 570 Cb -0.11 -0.57 -0.05 0.00 0.02 0.00 0.00 46.19 45.48 3koy s LEU 570 CO 0.02 0.11 0.35 -1.59 0.02 0.00 0.00 176.35 175.26 3koy s LYS 571 N -0.10 3.81 0.02 1.70 -2.85 -0.93 0.65 119.74 122.04 3koy s LYS 571 Ca 0.02 0.29 -0.14 0.00 -1.00 0.00 0.00 55.97 55.14 3koy s LYS 571 Cb -0.06 -3.21 0.02 0.00 -2.06 0.00 0.00 37.83 32.52 3koy s LYS 571 CO -0.00 0.71 0.30 0.20 0.10 0.00 0.00 175.35 176.66 3koy s GLY 572 N -1.08 -0.12 -0.20 0.59 0.00 -0.48 -2.02 107.32 104.02 3koy s GLY 572 Ca 0.22 0.11 -0.10 0.00 0.00 0.00 0.00 44.72 44.95 3koy s GLY 572 CO 0.11 -0.10 0.12 -1.60 0.00 0.00 0.00 173.10 171.64 3koy s ARG 573 N -2.06 4.15 -0.05 2.90 3.52 0.58 0.05 118.95 128.05 3koy s ARG 573 Ca -0.08 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 54.98 3koy s ARG 573 Cb -0.03 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 3koy s ARG 573 CO -0.00 0.29 1.05 0.08 -0.81 0.00 0.00 175.30 175.90 3koy s VAL 574 N 0.39 4.66 -0.48 7.11 1.01 -1.02 -0.56 120.40 131.50 3koy s VAL 574 Ca 0.07 1.92 0.25 0.00 0.00 0.00 0.00 61.98 64.23 3koy s VAL 574 Cb -0.11 -4.23 0.28 0.00 0.00 0.00 0.00 36.38 32.31 3koy s VAL 574 CO -0.01 0.06 1.75 -0.65 0.00 0.00 0.00 175.10 176.25 3koy h PRO 575 N 7.04 0.00 0.00 2.72 0.11 -1.92 -3.45 132.00 136.49 3koy h PRO 575 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3koy h PRO 575 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3koy h PRO 575 CO 0.82 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.58 3koy n PHE 576 N -2.36 0.00 -3.87 0.65 1.16 -1.26 -5.17 117.46 106.60 3koy n PHE 576 Ca 0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.51 3koy n PHE 576 Cb 0.30 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.08 3koy n PHE 576 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 3koy s SER 577 N -0.20 0.07 -0.21 5.98 0.01 -1.26 -4.86 113.70 113.23 3koy s SER 577 Ca 0.00 -0.38 -0.06 0.00 1.31 0.00 0.00 55.95 56.82 3koy s SER 577 Cb 0.00 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 3koy s SER 577 CO 0.00 -0.51 0.02 -0.63 0.41 0.00 0.00 173.24 172.53 3koy s ILE 578 N -2.36 4.06 0.13 1.44 1.09 -1.06 -4.96 121.20 119.53 3koy s ILE 578 Ca -0.07 -0.27 -0.30 0.00 -1.10 0.00 0.00 60.65 58.91 3koy s ILE 578 Cb -0.02 -2.85 -0.07 0.00 -1.06 0.00 0.00 42.46 38.45 3koy s ILE 578 CO -0.03 0.41 1.25 -0.62 -0.10 0.00 0.00 174.94 175.84 3koy s ASP 579 N 1.16 7.01 0.48 3.58 -1.08 -1.26 -1.97 116.67 124.60 3koy s ASP 579 Ca 0.03 2.18 0.16 0.00 -0.52 0.00 0.00 52.55 54.41 3koy s ASP 579 Cb -0.14 -2.59 1.17 0.00 -1.46 0.00 0.00 42.92 39.90 3koy s ASP 579 CO 0.02 -0.48 2.06 0.40 0.52 0.00 0.00 175.17 177.69 3koy h ILE 580 N 4.14 0.93 0.00 4.11 1.08 -1.76 -2.53 117.51 123.48 3koy h ILE 580 Ca -0.43 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 3koy h ILE 580 Cb 1.21 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 3koy h ILE 580 CO 0.80 0.03 0.00 0.78 -0.69 0.00 0.00 178.15 179.07 3koy h ASN 581 N 0.19 0.00 0.28 1.72 2.35 -1.91 -3.05 115.58 115.17 3koy h ASN 581 Ca 0.15 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 3koy h ASN 581 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3koy h ASN 581 CO -0.02 0.00 -0.23 0.28 -1.65 0.00 0.00 177.43 175.81 3koy h SER 582 N 0.00 0.00 -3.28 5.81 0.02 -1.85 -3.46 113.55 110.80 3koy h SER 582 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3koy h SER 582 Cb 0.86 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.43 3koy h SER 582 CO 0.00 0.23 0.65 -0.76 -1.14 0.00 0.00 176.83 175.81 3koy s LEU 583 N -8.23 4.40 -0.38 5.07 1.43 -1.15 -5.00 118.68 114.82 3koy s LEU 583 Ca -0.03 2.33 -0.14 0.00 -1.03 0.00 0.00 54.13 55.26 3koy s LEU 583 Cb 0.15 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.78 3koy s LEU 583 CO 0.68 -0.54 0.26 -0.69 0.23 0.00 0.00 176.35 176.30 3koy s VAL 584 N 0.44 5.15 -0.22 -1.59 1.01 -1.26 -5.07 120.40 118.86 3koy s VAL 584 Ca 0.58 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3koy s VAL 584 Cb -0.35 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.28 3koy s VAL 584 CO 0.35 -0.20 -0.10 -0.63 0.00 0.00 0.00 175.10 174.52 3koy s ILE 585 N 1.67 1.76 0.79 2.22 1.01 -1.26 -5.12 121.20 122.27 3koy s ILE 585 Ca 0.05 -1.16 -0.13 0.00 0.00 0.00 0.00 60.65 59.40 3koy s ILE 585 Cb -0.18 -1.85 0.07 0.00 0.01 0.00 0.00 42.46 40.51 3koy s ILE 585 CO 0.10 0.11 1.19 -2.84 0.00 0.00 0.00 174.94 173.50 3koy s PRO 586 N 1.33 1.75 0.00 2.79 0.02 -1.26 -5.33 135.00 134.31 3koy s PRO 586 Ca -0.03 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.70 3koy s PRO 586 Cb -0.17 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3koy s PRO 586 CO -0.08 -2.12 0.00 -2.30 -0.33 0.00 0.00 177.00 172.18 3koy n PRO 587 N -3.23 0.00 0.00 5.54 -0.02 -1.26 -5.32 135.00 130.71 3koy n PRO 587 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3koy n PRO 587 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 3koy n PRO 587 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3koy n ILE 591 N 0.00 0.00 -3.63 4.25 -0.00 -1.26 -5.39 119.36 113.33 3koy n ILE 591 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.40 3koy n ILE 591 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.59 3koy n ILE 591 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3koy s LEU 592 N 0.00 4.37 0.62 1.39 1.43 -1.26 -5.10 118.68 120.12 3koy s LEU 592 Ca 0.00 0.74 0.04 0.00 -1.03 0.00 0.00 54.13 53.88 3koy s LEU 592 Cb 0.00 -2.82 0.09 0.00 0.03 0.00 0.00 46.19 43.49 3koy s LEU 592 CO 0.00 0.22 0.85 -0.94 0.23 0.00 0.00 176.35 176.71 3koy s SER 593 N -1.64 4.86 0.00 2.29 1.04 -1.26 -4.89 113.70 114.10 3koy s SER 593 Ca 0.30 -0.51 0.16 0.00 0.48 0.00 0.00 55.95 56.38 3koy s SER 593 Cb -0.14 -0.06 0.79 0.00 0.10 0.00 0.00 66.02 66.71 3koy s SER 593 CO 0.17 -1.48 1.50 -1.84 0.98 0.00 0.00 173.24 172.57 3koy n GLU 594 N -2.46 0.15 -0.09 4.02 0.00 -1.26 -2.12 120.64 118.88 3koy n GLU 594 Ca 0.14 0.16 -0.11 0.00 0.00 0.00 0.00 57.16 57.35 3koy n GLU 594 Cb 0.61 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.43 3koy n GLU 594 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3koy n ASP 595 N -1.37 1.47 0.08 -1.84 8.00 -1.26 -3.99 116.55 117.64 3koy n ASP 595 Ca 0.06 -0.04 -0.11 0.00 0.71 0.00 0.00 54.79 55.41 3koy n ASP 595 Cb 0.15 0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 41.56 3koy n ASP 595 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3koy h GLU 596 N 0.00 0.12 -0.17 -1.24 3.07 -1.91 -2.75 114.58 111.69 3koy h GLU 596 Ca -0.46 -0.20 -0.19 0.00 -0.50 0.00 0.00 59.36 58.01 3koy h GLU 596 Cb 1.91 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.90 3koy h GLU 596 CO -0.01 1.08 -0.66 0.82 -1.40 0.00 0.00 179.01 178.83 3koy h ILE 597 N 0.03 1.31 -0.72 3.13 2.04 -1.67 -2.92 117.51 118.70 3koy h ILE 597 Ca -0.08 -1.92 -0.05 0.00 1.00 0.00 0.00 64.86 63.82 3koy h ILE 597 Cb 1.87 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 39.80 3koy h ILE 597 CO 0.16 0.60 0.26 -0.09 0.00 0.00 0.00 178.15 179.08 3koy h ARG 598 N 0.48 1.10 0.32 2.37 2.43 -1.69 -3.11 114.38 116.28 3koy h ARG 598 Ca -0.02 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 3koy h ARG 598 Cb 1.26 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3koy h ARG 598 CO 0.13 0.92 -0.15 0.93 -1.51 0.00 0.00 179.97 180.29 3koy h GLU 599 N 1.05 -0.42 -0.36 0.20 5.08 -1.45 -1.31 114.58 117.37 3koy h GLU 599 Ca 0.24 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 3koy h GLU 599 Cb 0.26 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3koy h GLU 599 CO -0.01 -0.22 0.35 0.22 -1.00 0.00 0.00 179.01 178.35 3koy h ASP 600 N -0.52 0.00 0.53 1.42 3.58 -1.54 -0.68 116.42 119.20 3koy h ASP 600 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3koy h ASP 600 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 3koy h ASP 600 CO 0.07 0.00 -1.15 -0.38 -2.88 0.00 0.00 179.24 174.90 3koy n ILE 601 N -3.87 0.27 0.08 2.25 5.41 -0.98 -2.83 119.36 119.69 3koy n ILE 601 Ca 0.06 -0.36 -0.14 0.00 1.00 0.00 0.00 62.75 63.31 3koy n ILE 601 Cb 0.52 0.03 -0.14 0.00 -0.71 0.00 0.00 39.64 39.34 3koy n ILE 601 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3koy h GLU 602 N 0.00 0.20 0.00 0.38 5.08 0.00 -3.31 114.58 116.93 3koy h GLU 602 Ca 0.00 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3koy h GLU 602 Cb 0.84 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3koy h GLU 602 CO 0.00 1.13 -0.71 0.87 -1.00 0.00 0.00 179.01 179.30 3koy h LYS 603 N 0.05 0.00 -2.34 2.33 1.57 -1.43 -3.42 116.57 113.33 3koy h LYS 603 Ca -0.13 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.22 3koy h LYS 603 Cb 1.94 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.89 3koy h LYS 603 CO 0.18 0.07 -0.72 0.99 -0.57 0.00 0.00 179.45 179.40 3koy s THR 604 N -3.24 -0.21 0.37 -0.16 2.01 -1.13 -5.11 115.64 108.18 3koy s THR 604 Ca 0.02 -0.88 -0.24 0.00 0.31 0.00 0.00 61.69 60.91 3koy s THR 604 Cb 0.08 -0.94 -0.14 0.00 0.01 0.00 0.00 72.50 71.51 3koy s THR 604 CO 0.75 -0.65 0.52 -2.65 -0.69 0.00 0.00 174.62 171.91 3koy n PRO 605 N 4.85 0.49 -3.75 4.92 -0.02 -1.25 -4.43 135.00 135.80 3koy n PRO 605 Ca 0.02 0.18 -0.29 0.00 -2.02 0.00 0.00 63.50 61.38 3koy n PRO 605 Cb 0.43 -1.39 -0.15 0.00 -0.02 0.00 0.00 33.50 32.37 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 2.19 2.00 -0.11 2.45 2.96 -1.26 -5.05 118.68 121.86 3koy s LEU 606 Ca 0.62 -1.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.11 3koy s LEU 606 Cb -0.67 -0.83 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 3koy s LEU 606 CO 0.59 -0.37 0.08 -0.75 -1.32 0.00 0.00 176.35 174.58 3koy s LYS 607 N 1.66 3.24 -0.04 1.98 2.20 -1.26 -0.97 119.74 126.55 3koy s LYS 607 Ca 0.05 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.40 3koy s LYS 607 Cb -0.17 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.17 3koy s LYS 607 CO -0.19 0.74 0.07 0.42 -0.36 0.00 0.00 175.35 176.03 3koy s ILE 608 N -0.94 -0.08 -0.03 5.43 1.09 -0.55 -1.05 121.20 125.07 3koy s ILE 608 Ca 0.14 0.25 -0.16 0.00 -1.10 0.00 0.00 60.65 59.78 3koy s ILE 608 Cb -0.12 -0.14 -0.05 0.00 -1.06 0.00 0.00 42.46 41.09 3koy s ILE 608 CO 0.03 0.10 0.44 0.68 -0.10 0.00 0.00 174.94 176.09 3koy s VAL 609 N 1.32 5.05 0.01 2.92 -7.23 -0.94 0.55 120.40 122.08 3koy s VAL 609 Ca -0.06 0.90 -0.00 0.00 -1.81 0.00 0.00 61.98 61.01 3koy s VAL 609 Cb -0.12 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 33.04 3koy s VAL 609 CO -0.04 0.49 -0.01 0.00 -0.31 0.00 0.00 175.10 175.23 3koy s ALA 610 N -0.51 0.06 0.20 1.32 0.00 -0.90 -0.72 121.76 121.21 3koy s ALA 610 Ca 0.25 -0.33 -0.23 0.00 0.00 0.00 0.00 51.96 51.65 3koy s ALA 610 Cb -0.16 0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.10 3koy s ALA 610 CO 0.13 -0.09 0.96 0.00 0.00 0.00 0.00 175.76 176.75 3koy s ALA 611 N -0.84 -1.51 -0.87 0.00 0.00 -0.96 -0.09 121.76 117.49 3koy s ALA 611 Ca -0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 3koy s ALA 611 Cb -0.06 0.70 0.22 0.00 0.00 0.00 0.00 23.12 23.98 3koy s ALA 611 CO -0.01 -1.05 0.78 0.99 0.00 0.00 0.00 175.76 176.48 3koy s THR 612 N -2.78 4.97 0.50 0.00 2.01 -0.40 -2.34 115.64 117.60 3koy s THR 612 Ca 0.16 -3.16 -0.21 0.00 0.31 0.00 0.00 61.69 58.79 3koy s THR 612 Cb -0.02 -4.08 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 3koy s THR 612 CO 0.05 -1.05 0.80 0.52 -0.69 0.00 0.00 174.62 174.25 3koy n VAL 613 N 3.15 2.56 -0.73 3.82 0.31 -1.20 -2.17 118.33 124.06 3koy n VAL 613 Ca 0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3koy n VAL 613 Cb 0.41 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 3koy n VAL 613 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3koy n GLY 614 N 1.46 -1.78 2.89 2.92 0.00 -1.15 -4.38 105.19 105.15 3koy n GLY 614 Ca 0.11 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 4.38 -4.35 1.61 1.02 -1.26 -4.04 120.64 117.99 3koy n GLU 615 Ca 0.00 -4.23 -0.26 0.00 -0.02 0.00 0.00 57.16 52.64 3koy n GLU 615 Cb 0.00 -2.62 -0.13 0.00 -0.02 0.00 0.00 31.44 28.67 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 -0.93 3.01 -0.01 1.62 3.68 -1.26 -5.02 116.67 117.75 3koy s ASP 616 Ca 0.35 -0.75 0.02 0.00 2.13 0.00 0.00 52.55 54.31 3koy s ASP 616 Cb 0.09 -0.19 0.03 0.00 -1.45 0.00 0.00 42.92 41.39 3koy s ASP 616 CO 0.04 0.12 0.83 -0.62 0.13 0.00 0.00 175.17 175.67 3koy n GLU 617 N 0.87 1.47 -2.91 4.34 -0.58 -1.26 -2.49 120.64 120.08 3koy n GLU 617 Ca -0.18 -1.19 -0.43 0.00 -0.42 0.00 0.00 57.16 54.95 3koy n GLU 617 Cb 0.54 -0.82 -0.05 0.00 -0.57 0.00 0.00 31.44 30.54 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 -0.72 2.89 -0.17 -0.32 3.76 -1.26 -4.90 115.29 114.57 3koy s HIS 618 Ca 0.03 0.02 0.10 0.00 -0.15 0.00 0.00 55.06 55.06 3koy s HIS 618 Cb 0.03 -3.89 -0.23 0.00 1.11 0.00 0.00 32.58 29.60 3koy s HIS 618 CO 0.00 -1.19 0.18 -1.13 -0.85 0.00 0.00 174.74 171.75 3koy n SER 619 N 7.09 0.92 -0.18 1.40 3.41 -1.26 -4.57 113.62 120.42 3koy n SER 619 Ca 0.01 0.09 -0.04 0.00 -0.26 0.00 0.00 58.87 58.68 3koy n SER 619 Cb 0.48 0.20 0.06 0.00 -0.26 0.00 0.00 64.21 64.69 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 0.01 0.96 -0.54 -3.33 2.07 -1.97 -2.25 116.25 111.20 3koy h VAL 620 Ca -0.48 -0.19 0.11 0.00 0.82 0.00 0.00 66.70 66.96 3koy h VAL 620 Cb 2.09 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 32.13 3koy h VAL 620 CO 0.02 0.10 -0.23 1.23 0.02 0.00 0.00 177.57 178.71 3koy h GLY 621 N 0.54 0.17 0.69 2.17 0.00 -2.00 0.30 103.07 104.93 3koy h GLY 621 Ca 0.24 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 3koy h GLY 621 CO -0.16 -0.22 -0.07 -2.00 0.00 0.00 0.00 176.54 174.09 3koy h LEU 622 N -0.10 -0.17 -2.29 3.11 5.85 -1.79 -2.83 115.31 117.10 3koy h LEU 622 Ca 0.25 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3koy h LEU 622 Cb 0.49 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3koy h LEU 622 CO -0.61 0.16 0.18 0.03 -0.34 0.00 0.00 178.44 177.85 3koy h ARG 623 N -0.52 0.00 -0.07 1.25 3.08 -0.78 -0.83 114.38 116.51 3koy h ARG 623 Ca -0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 3koy h ARG 623 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3koy h ARG 623 CO 0.03 0.00 -0.66 0.93 -1.07 0.00 0.00 179.97 179.21 3koy h GLU 624 N 0.00 0.30 -0.01 0.04 4.39 -0.17 -0.69 114.58 118.44 3koy h GLU 624 Ca 0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3koy h GLU 624 Cb 0.35 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3koy h GLU 624 CO 0.00 0.85 -0.50 1.33 -1.16 0.00 0.00 179.01 179.53 3koy n VAL 625 N -3.85 0.00 -0.09 3.13 0.24 -0.35 -4.33 118.33 113.08 3koy n VAL 625 Ca -0.03 -0.09 -0.19 0.00 -2.04 0.00 0.00 64.34 62.00 3koy n VAL 625 Cb 0.66 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.56 3koy n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3koy n ILE 626 N -0.96 1.01 -0.64 1.34 5.41 -1.00 0.48 119.36 125.00 3koy n ILE 626 Ca 0.08 -0.23 -0.31 0.00 1.00 0.00 0.00 62.75 63.29 3koy n ILE 626 Cb 0.36 -1.76 0.19 0.00 -0.71 0.00 0.00 39.64 37.72 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 -3.82 -1.50 0.02 4.38 8.00 -0.27 -2.33 116.55 121.03 3koy n ASP 627 Ca -0.34 0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.35 3koy n ASP 627 Cb 0.73 -1.22 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 3koy n ASP 627 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koy n ILE 628 N -4.39 0.16 -0.31 0.53 3.06 -1.26 -1.21 119.36 115.94 3koy n ILE 628 Ca 0.05 -0.28 0.05 0.00 -2.50 0.00 0.00 62.75 60.08 3koy n ILE 628 Cb 0.55 0.22 0.20 0.00 0.54 0.00 0.00 39.64 41.15 3koy n ILE 628 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3koy h LYS 629 N 0.00 0.78 -0.93 9.51 1.63 -1.94 -2.86 116.57 122.75 3koy h LYS 629 Ca 0.00 -0.05 -0.59 0.00 -0.85 0.00 0.00 60.65 59.17 3koy h LYS 629 Cb 0.76 -0.18 -0.40 0.00 -0.60 0.00 0.00 32.23 31.82 3koy h LYS 629 CO 0.00 0.51 -0.43 0.72 -3.45 0.00 0.00 179.45 176.81 3koy n HIS 630 N -4.74 2.93 -2.82 1.91 8.25 -1.26 -4.96 115.22 114.53 3koy n HIS 630 Ca 0.16 -2.49 -0.15 0.00 -0.26 0.00 0.00 57.72 54.98 3koy n HIS 630 Cb 0.33 -0.55 0.03 0.00 1.12 0.00 0.00 29.99 30.92 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 -0.72 -0.10 3.85 -1.41 0.00 -1.08 -4.52 105.19 101.21 3koy n GLY 631 Ca 0.47 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 3koy n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3koy s GLY 632 N -2.86 1.70 0.37 -0.02 0.00 -0.35 -3.10 107.32 103.06 3koy s GLY 632 Ca 0.23 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.99 3koy s GLY 632 CO 0.28 -0.28 2.02 0.16 0.00 0.00 0.00 173.10 175.29 3koy h ILE 633 N -1.69 1.13 -1.02 0.90 3.07 0.02 -1.04 117.51 118.88 3koy h ILE 633 Ca -0.45 -0.25 0.26 0.00 1.55 0.00 0.00 64.86 65.96 3koy h ILE 633 Cb 1.27 0.32 -0.12 0.00 -0.27 0.00 0.00 36.82 38.02 3koy h ILE 633 CO 0.44 0.14 0.61 -0.08 -1.05 0.00 0.00 178.15 178.21 3koy h GLU 634 N 0.74 0.51 -0.43 0.16 4.81 -1.69 0.26 114.58 118.94 3koy h GLU 634 Ca 0.21 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.54 3koy h GLU 634 Cb -0.06 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3koy h GLU 634 CO -0.05 0.34 0.34 -0.22 -0.73 0.00 0.00 179.01 178.68 3koy h LYS 635 N 0.52 0.00 -0.34 1.92 3.64 -1.40 -2.60 116.57 118.31 3koy h LYS 635 Ca 0.65 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 3koy h LYS 635 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3koy h LYS 635 CO -0.46 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.38 3koy n TYR 636 N -4.26 0.44 0.00 1.91 4.01 0.90 -4.91 117.16 115.25 3koy n TYR 636 Ca 0.07 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3koy n TYR 636 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 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 1.45 0.43 3.65 2.72 0.00 -0.98 -4.60 105.19 107.86 3koy n GLY 637 Ca 0.19 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.74 3koy n GLY 637 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3koy n VAL 638 N -2.00 0.26 -2.93 1.61 0.31 -1.21 -4.77 118.33 109.59 3koy n VAL 638 Ca 0.00 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 3koy n VAL 638 Cb 0.00 -1.33 -0.05 0.00 -0.91 0.00 0.00 33.84 31.55 3koy n VAL 638 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3koy s GLU 639 N 0.45 3.68 -0.19 5.55 2.12 -0.14 -4.48 118.70 125.70 3koy s GLU 639 Ca 0.77 0.24 -0.08 0.00 0.36 0.00 0.00 54.97 56.27 3koy s GLU 639 Cb -0.74 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 29.77 3koy s GLU 639 CO 0.43 -0.94 0.07 0.08 -0.54 0.00 0.00 175.26 174.36 3koy s VAL 640 N 3.22 4.82 -0.81 3.70 1.01 -1.26 -1.48 120.40 129.59 3koy s VAL 640 Ca 0.32 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 3koy s VAL 640 Cb -0.13 -3.18 0.21 0.00 0.00 0.00 0.00 36.38 33.28 3koy s VAL 640 CO 0.19 0.45 0.69 -1.00 0.00 0.00 0.00 175.10 175.43 3koy s HIS 641 N 0.42 3.73 0.16 5.22 3.76 0.19 -4.96 115.29 123.81 3koy s HIS 641 Ca 0.03 -2.70 -0.30 0.00 -0.15 0.00 0.00 55.06 51.95 3koy s HIS 641 Cb -0.12 -3.39 -0.07 0.00 1.11 0.00 0.00 32.58 30.10 3koy s HIS 641 CO 0.00 -0.84 1.11 -0.47 -0.85 0.00 0.00 174.74 173.69 3koy s TYR 642 N -0.61 3.57 -0.20 1.40 5.04 -1.26 -2.12 117.35 123.16 3koy s TYR 642 Ca 0.22 1.56 0.11 0.00 -2.44 0.00 0.00 57.07 56.53 3koy s TYR 642 Cb -0.13 -3.29 -0.20 0.00 0.35 0.00 0.00 41.96 38.69 3koy s TYR 642 CO -0.08 -0.69 -0.03 1.28 -1.34 0.00 0.00 175.55 174.68 3koy n LEU 643 N 2.58 1.05 0.00 6.97 4.77 0.86 -4.93 117.00 128.31 3koy n LEU 643 Ca 0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3koy n LEU 643 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3koy n LEU 643 CO 0.54 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 3koy n GLY 644 N 2.04 0.22 3.89 -0.72 0.00 -1.26 -5.00 105.19 104.35 3koy n GLY 644 Ca -0.34 -2.30 -0.35 0.00 0.00 0.00 0.00 46.02 43.02 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 -0.14 5.38 -0.51 2.61 -4.23 -1.26 -1.27 115.64 116.22 3koy s THR 645 Ca 0.00 0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.64 3koy s THR 645 Cb 0.00 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.32 3koy s THR 645 CO 0.00 0.44 0.09 -1.20 -0.54 0.00 0.00 174.62 173.41 3koy n SER 646 N 1.37 -2.71 -4.66 3.99 7.64 -0.92 -4.94 113.62 113.39 3koy n SER 646 Ca -0.14 -0.05 -0.43 0.00 1.01 0.00 0.00 58.87 59.27 3koy n SER 646 Cb 0.53 -1.86 -0.02 0.00 -1.01 0.00 0.00 64.21 61.85 3koy n SER 646 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3koy s VAL 647 N -2.51 4.35 0.48 0.44 1.01 -1.22 -4.82 120.40 118.12 3koy s VAL 647 Ca 0.04 1.63 -0.23 0.00 0.00 0.00 0.00 61.98 63.42 3koy s VAL 647 Cb -0.02 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 3koy s VAL 647 CO 0.05 -0.17 1.23 -2.65 0.00 0.00 0.00 175.10 173.56 3koy n PRO 648 N 6.61 1.67 -0.17 2.72 -0.02 -1.26 -2.92 135.00 141.63 3koy n PRO 648 Ca 0.14 0.61 0.29 0.00 -2.02 0.00 0.00 63.50 62.51 3koy n PRO 648 Cb 0.45 -2.37 0.72 0.00 -0.02 0.00 0.00 33.50 32.28 3koy n PRO 648 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3koy h VAL 649 N 1.65 0.42 0.31 -1.45 2.07 -1.94 -1.99 116.25 115.32 3koy h VAL 649 Ca -0.48 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3koy h VAL 649 Cb 1.31 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3koy h VAL 649 CO 0.58 0.00 -0.15 -0.08 0.02 0.00 0.00 177.57 177.94 3koy h GLU 650 N 0.00 -0.40 0.00 1.57 4.57 -1.93 -3.37 114.58 115.02 3koy h GLU 650 Ca 0.42 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.60 3koy h GLU 650 Cb 1.84 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 30.52 3koy h GLU 650 CO -0.00 -0.11 -0.13 -0.22 -1.18 0.00 0.00 179.01 177.37 3koy h LYS 651 N -1.00 0.00 -0.03 1.92 3.64 -1.72 -2.54 116.57 116.84 3koy h LYS 651 Ca -0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3koy h LYS 651 Cb 0.48 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3koy h LYS 651 CO 0.07 0.13 -0.16 1.25 -2.27 0.00 0.00 179.45 178.47 3koy h LEU 652 N 0.00 0.04 -1.07 5.20 5.85 -1.68 -0.63 115.31 123.03 3koy h LEU 652 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3koy h LEU 652 Cb 0.24 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3koy h LEU 652 CO 0.02 0.21 0.00 0.52 -0.34 0.00 0.00 178.44 178.84 3koy n VAL 653 N -4.33 0.02 0.33 1.05 0.31 -0.96 -3.01 118.33 111.74 3koy n VAL 653 Ca -0.02 -0.28 0.12 0.00 -0.01 0.00 0.00 64.34 64.14 3koy n VAL 653 Cb 0.24 0.57 0.11 0.00 -0.91 0.00 0.00 33.84 33.85 3koy n VAL 653 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3koy h ASP 654 N 2.55 0.00 0.00 4.52 3.32 -1.10 -3.12 116.42 122.59 3koy h ASP 654 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3koy h ASP 654 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3koy h ASP 654 CO 0.00 0.04 -1.24 0.00 -1.72 0.00 0.00 179.24 176.32 3koy n ALA 655 N -2.01 3.49 -0.14 3.45 0.00 -1.16 -3.23 120.51 120.91 3koy n ALA 655 Ca 0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 3koy n ALA 655 Cb 0.50 -0.60 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 3koy n ALA 655 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3koy h ALA 656 N 2.02 0.58 0.10 0.00 0.00 -1.57 -2.08 119.26 118.30 3koy h ALA 656 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3koy h ALA 656 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3koy h ALA 656 CO 0.00 0.47 -0.05 -0.84 0.00 0.00 0.00 179.25 178.83 3koy h ILE 657 N 0.64 0.00 -1.00 0.00 3.07 -1.74 -2.05 117.51 116.44 3koy h ILE 657 Ca 0.11 -0.40 0.18 0.00 1.55 0.00 0.00 64.86 66.29 3koy h ILE 657 Cb 0.64 0.00 -0.18 0.00 -0.27 0.00 0.00 36.82 37.02 3koy h ILE 657 CO 0.04 0.00 -0.32 -0.33 -1.05 0.00 0.00 178.15 176.49 3koy h GLU 658 N -0.53 -0.00 -0.86 0.16 5.08 -1.66 0.21 114.58 116.97 3koy h GLU 658 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3koy h GLU 658 Cb 0.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3koy h GLU 658 CO 0.02 -0.00 0.05 1.28 -1.00 0.00 0.00 179.01 179.37 3koy n LEU 659 N -5.55 3.27 -4.07 1.33 4.77 -0.78 -4.89 117.00 111.08 3koy n LEU 659 Ca 0.13 -1.67 -0.34 0.00 -0.03 0.00 0.00 56.01 54.11 3koy n LEU 659 Cb 0.45 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 3koy n LEU 659 CO -0.13 0.47 -0.07 0.29 -1.33 0.00 0.00 177.39 176.62 3koy n LYS 660 N 0.17 -2.38 -2.37 3.23 4.76 0.72 -4.84 118.16 117.46 3koy n LYS 660 Ca 0.14 0.28 -0.41 0.00 -2.87 0.00 0.00 58.31 55.45 3koy n LYS 660 Cb 0.71 -4.95 -0.03 0.00 -1.84 0.00 0.00 35.03 28.92 3koy n LYS 660 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3koy s ALA 661 N -3.11 3.44 0.34 7.82 0.00 -0.77 -4.95 121.76 124.53 3koy s ALA 661 Ca 0.67 0.96 0.28 0.00 0.00 0.00 0.00 51.96 53.87 3koy s ALA 661 Cb -0.38 -3.41 1.36 0.00 0.00 0.00 0.00 23.12 20.69 3koy s ALA 661 CO 0.82 -0.37 2.02 -0.44 0.00 0.00 0.00 175.76 177.79 3koy h ASP 662 N 5.06 0.00 -5.06 0.00 3.32 -1.41 -3.46 116.42 114.86 3koy h ASP 662 Ca -0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 3koy h ASP 662 Cb 1.21 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 3koy h ASP 662 CO 0.74 0.14 0.09 0.00 -1.72 0.00 0.00 179.24 178.49 3koy s ALA 663 N -4.03 -1.08 -0.08 3.45 0.00 -1.03 -3.05 121.76 115.95 3koy s ALA 663 Ca -0.02 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.84 3koy s ALA 663 Cb 0.12 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.11 3koy s ALA 663 CO 0.59 -0.85 -0.20 0.42 0.00 0.00 0.00 175.76 175.73 3koy s ILE 664 N -3.87 1.70 -0.11 0.00 1.01 0.06 -2.22 121.20 117.77 3koy s ILE 664 Ca 0.09 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.94 3koy s ILE 664 Cb -0.02 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 3koy s ILE 664 CO -0.02 0.48 -0.22 -0.76 0.00 0.00 0.00 174.94 174.42 3koy s LEU 665 N 0.32 2.20 -0.09 2.97 1.43 0.11 -1.46 118.68 124.15 3koy s LEU 665 Ca -0.13 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.43 3koy s LEU 665 Cb -0.16 -1.45 0.03 0.00 0.03 0.00 0.00 46.19 44.64 3koy s LEU 665 CO 0.06 0.16 -0.02 0.00 0.23 0.00 0.00 176.35 176.77 3koy s ALA 666 N 0.37 0.95 0.49 4.21 0.00 -1.08 -2.27 121.76 124.43 3koy s ALA 666 Ca -0.17 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 3koy s ALA 666 Cb -0.17 -0.83 -0.06 0.00 0.00 0.00 0.00 23.12 22.06 3koy s ALA 666 CO 0.08 -0.48 0.87 0.45 0.00 0.00 0.00 175.76 176.68 3koy s SER 667 N 1.87 6.43 -0.49 0.00 0.15 -0.99 -2.50 113.70 118.17 3koy s SER 667 Ca 0.05 1.25 0.05 0.00 0.70 0.00 0.00 55.95 57.99 3koy s SER 667 Cb -0.13 -2.38 0.20 0.00 -1.71 0.00 0.00 66.02 62.00 3koy s SER 667 CO -0.06 -0.57 0.80 1.07 1.20 0.00 0.00 173.24 175.68 3koy n THR 668 N -1.85 0.00 -0.03 6.45 5.66 -0.81 -3.24 114.28 120.46 3koy n THR 668 Ca 0.04 -0.94 -0.02 0.00 -3.05 0.00 0.00 64.05 60.08 3koy n THR 668 Cb 0.54 1.00 -0.01 0.00 -1.55 0.00 0.00 70.33 70.31 3koy n THR 668 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3koy n ILE 669 N 2.74 0.52 -1.60 1.09 2.08 -1.26 -4.19 119.36 118.74 3koy n ILE 669 Ca 0.16 0.39 -0.55 0.00 0.56 0.00 0.00 62.75 63.31 3koy n ILE 669 Cb 0.58 -1.82 -0.07 0.00 -0.75 0.00 0.00 39.64 37.59 3koy n ILE 669 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3koy n ILE 670 N -3.14 0.05 -2.73 1.39 5.41 -1.26 -4.72 119.36 114.37 3koy n ILE 670 Ca -0.03 -0.01 -0.04 0.00 1.00 0.00 0.00 62.75 63.67 3koy n ILE 670 Cb 0.12 -0.72 0.07 0.00 -0.71 0.00 0.00 39.64 38.40 3koy n ILE 670 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3koy n SER 671 N 2.83 0.36 -4.70 4.38 3.41 -1.26 -4.40 113.62 114.24 3koy n SER 671 Ca 0.20 -2.34 -0.39 0.00 -0.26 0.00 0.00 58.87 56.08 3koy n SER 671 Cb 0.15 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 3koy n SER 671 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3koy s HIS 672 N -2.17 3.48 -1.34 7.33 5.04 -1.26 -3.81 115.29 122.56 3koy s HIS 672 Ca 0.23 0.97 -0.01 0.00 -1.54 0.00 0.00 55.06 54.71 3koy s HIS 672 Cb 0.40 -2.67 0.00 0.00 0.04 0.00 0.00 32.58 30.35 3koy s HIS 672 CO -0.04 0.05 0.10 -0.25 -2.34 0.00 0.00 174.74 172.26 3koy n ASP 673 N 4.10 -4.87 -3.96 9.88 8.00 -1.26 -3.17 116.55 125.27 3koy n ASP 673 Ca -0.04 -0.06 -0.31 0.00 0.71 0.00 0.00 54.79 55.09 3koy n ASP 673 Cb 0.51 -3.93 0.02 0.00 -0.02 0.00 0.00 41.12 37.70 3koy n ASP 673 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3koy n ASP 674 N -1.18 -4.28 0.23 -2.24 10.43 -1.25 -4.82 116.55 113.45 3koy n ASP 674 Ca -0.17 -0.83 0.16 0.00 2.57 0.00 0.00 54.79 56.52 3koy n ASP 674 Cb 0.63 -3.69 0.68 0.00 1.84 0.00 0.00 41.12 40.59 3koy n ASP 674 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 3koy h ILE 675 N -1.98 0.00 -0.06 0.53 6.09 -1.80 -2.58 117.51 117.70 3koy h ILE 675 Ca -0.58 -0.32 -0.07 0.00 -1.37 0.00 0.00 64.86 62.51 3koy h ILE 675 Cb 1.38 1.19 0.00 0.00 0.47 0.00 0.00 36.82 39.86 3koy h ILE 675 CO 0.68 0.00 -0.26 1.12 -3.07 0.00 0.00 178.15 176.63 3koy h HIS 676 N 0.00 0.37 0.00 2.19 2.07 -1.87 -2.38 115.15 115.52 3koy h HIS 676 Ca 0.00 -0.16 -0.03 0.00 -2.85 0.00 0.00 60.37 57.33 3koy h HIS 676 Cb 0.36 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 30.28 3koy h HIS 676 CO 0.00 0.88 -0.16 1.88 -3.07 0.00 0.00 177.93 177.46 3koy h TYR 677 N -0.24 0.00 -0.18 6.12 0.05 -1.92 -3.21 116.97 117.58 3koy h TYR 677 Ca -0.02 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.64 3koy h TYR 677 Cb 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 3koy h TYR 677 CO 0.13 0.16 -0.36 0.87 -1.05 0.00 0.00 178.16 177.91 3koy h LYS 678 N 0.00 0.56 0.00 4.88 1.57 -1.48 -3.17 116.57 118.93 3koy h LYS 678 Ca -0.00 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3koy h LYS 678 Cb 0.90 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3koy h LYS 678 CO 0.02 0.98 0.00 0.09 -0.57 0.00 0.00 179.45 179.97 3koy n ASN 679 N -4.30 0.00 0.06 0.86 3.02 -0.90 -2.09 115.26 111.92 3koy n ASN 679 Ca -0.06 -0.12 -0.21 0.00 -0.03 0.00 0.00 54.58 54.16 3koy n ASN 679 Cb 0.51 -0.24 -0.15 0.00 -0.61 0.00 0.00 39.78 39.30 3koy n ASN 679 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3koy h MET 680 N 0.00 0.33 0.03 3.52 2.86 -1.57 -3.29 114.93 116.81 3koy h MET 680 Ca 0.00 -0.56 -0.26 0.00 -2.06 0.00 0.00 59.70 56.81 3koy h MET 680 Cb 0.16 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 3koy h MET 680 CO 0.00 1.22 -1.39 1.57 1.06 0.00 0.00 176.91 179.37 3koy h LYS 681 N 0.09 0.06 -0.54 1.72 2.10 -1.59 -2.38 116.57 116.03 3koy h LYS 681 Ca -0.32 -0.11 0.12 0.00 -2.00 0.00 0.00 60.65 58.34 3koy h LYS 681 Cb 2.07 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 33.41 3koy h LYS 681 CO 0.16 0.85 0.37 -0.09 -2.00 0.00 0.00 179.45 178.75 3koy h ARG 682 N 0.02 0.17 0.01 0.07 2.43 -1.59 0.45 114.38 115.94 3koy h ARG 682 Ca -0.17 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.73 3koy h ARG 682 Cb 1.92 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 31.39 3koy h ARG 682 CO 0.12 0.11 -1.39 0.82 -1.51 0.00 0.00 179.97 178.12 3koy h ILE 683 N 0.18 1.24 -0.47 1.20 2.04 -1.61 -2.43 117.51 117.65 3koy h ILE 683 Ca 0.26 -3.02 -0.10 0.00 1.00 0.00 0.00 64.86 63.00 3koy h ILE 683 Cb 0.77 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.47 3koy h ILE 683 CO -0.04 0.73 -0.09 -0.74 0.00 0.00 0.00 178.15 178.01 3koy h HIS 684 N 0.01 1.00 0.20 1.37 2.76 -0.59 -1.89 115.15 118.01 3koy h HIS 684 Ca -0.17 -0.21 -0.01 0.00 -2.20 0.00 0.00 60.37 57.79 3koy h HIS 684 Cb 1.91 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.63 3koy h HIS 684 CO 0.01 0.97 -0.10 0.93 -1.30 0.00 0.00 177.93 178.44 3koy h GLU 685 N 0.74 -0.26 0.00 5.26 5.08 -0.29 -2.31 114.58 122.80 3koy h GLU 685 Ca 0.12 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3koy h GLU 685 Cb 0.63 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3koy h GLU 685 CO 0.04 0.10 0.16 -0.11 -1.00 0.00 0.00 179.01 178.20 3koy n LEU 686 N -5.03 0.41 -0.07 1.33 0.00 -0.92 -0.54 117.00 112.18 3koy n LEU 686 Ca -0.09 0.63 -0.12 0.00 0.00 0.00 0.00 56.01 56.44 3koy n LEU 686 Cb 0.25 -0.63 -0.10 0.00 0.00 0.00 0.00 43.42 42.94 3koy n LEU 686 CO 0.30 -0.77 0.17 0.00 0.00 0.00 0.00 177.39 177.09 3koy h ALA 687 N 1.56 0.03 0.00 1.96 0.00 -0.81 -3.17 119.26 118.83 3koy h ALA 687 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3koy h ALA 687 Cb 0.32 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3koy h ALA 687 CO 0.00 0.10 -0.16 0.28 0.00 0.00 0.00 179.25 179.47 3koy n VAL 688 N -4.62 0.41 -0.03 0.00 0.31 -0.81 -2.11 118.33 111.47 3koy n VAL 688 Ca -0.10 -0.22 -0.14 0.00 -0.01 0.00 0.00 64.34 63.87 3koy n VAL 688 Cb 0.40 -0.43 -0.09 0.00 -0.91 0.00 0.00 33.84 32.80 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 0.00 0.20 0.00 5.55 4.81 -0.97 -3.09 114.58 121.09 3koy h GLU 689 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3koy h GLU 689 Cb 0.69 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3koy h GLU 689 CO 0.00 0.73 0.00 1.63 -0.73 0.00 0.00 179.01 180.64 3koy n LYS 690 N -4.62 0.60 -2.62 1.92 4.76 -1.20 -4.91 118.16 112.10 3koy n LYS 690 Ca -0.08 0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.30 3koy n LYS 690 Cb 0.38 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.11 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 0.55 -0.06 0.00 0.72 0.00 -1.17 -4.98 105.19 100.25 3koy n GLY 691 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3koy n GLY 691 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3koy n ILE 692 N -2.55 0.00 0.21 -0.61 -5.35 -0.90 -5.01 119.36 105.15 3koy n ILE 692 Ca -0.11 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.26 3koy n ILE 692 Cb 0.58 1.06 -0.06 0.00 -1.74 0.00 0.00 39.64 39.48 3koy n ILE 692 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3koy h ARG 693 N 0.00 -0.57 0.00 6.28 9.65 -1.87 -2.02 114.38 125.85 3koy h ARG 693 Ca 0.00 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3koy h ARG 693 Cb 0.90 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 3koy h ARG 693 CO 0.00 -0.30 0.00 -0.40 2.80 0.00 0.00 179.97 182.07 3koy n ASP 694 N -5.18 0.00 -0.06 -3.80 5.75 -1.26 -2.69 116.55 109.31 3koy n ASP 694 Ca -0.09 -0.28 -0.19 0.00 -0.01 0.00 0.00 54.79 54.23 3koy n ASP 694 Cb 0.27 -0.19 -0.13 0.00 -1.03 0.00 0.00 41.12 40.04 3koy n ASP 694 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3koy h LYS 695 N 0.00 0.07 0.00 0.11 1.63 -1.94 -3.49 116.57 112.95 3koy h LYS 695 Ca 0.00 -0.12 -0.20 0.00 -0.85 0.00 0.00 60.65 59.48 3koy h LYS 695 Cb 0.15 0.04 0.07 0.00 -0.60 0.00 0.00 32.23 31.89 3koy h LYS 695 CO 0.00 1.06 0.15 1.51 -3.45 0.00 0.00 179.45 178.72 3koy n ILE 696 N -4.38 0.00 -4.09 2.00 3.06 -0.77 -5.05 119.36 110.13 3koy n ILE 696 Ca -0.21 -0.54 -0.14 0.00 -2.50 0.00 0.00 62.75 59.36 3koy n ILE 696 Cb 0.66 -1.57 -0.11 0.00 0.54 0.00 0.00 39.64 39.15 3koy n ILE 696 CO 0.00 0.00 0.00 -0.04 -2.50 0.00 0.00 176.55 174.01 3koy s MET 697 N -4.11 0.61 -0.03 9.51 -1.94 -1.17 -4.97 119.30 117.20 3koy s MET 697 Ca 0.33 -0.82 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 3koy s MET 697 Cb -0.01 -0.42 0.01 0.00 2.01 0.00 0.00 34.83 36.42 3koy s MET 697 CO 0.23 0.08 -0.05 0.42 -0.01 0.00 0.00 175.02 175.69 3koy s ILE 698 N -1.41 0.54 -0.02 2.53 1.01 -1.26 -0.76 121.20 121.83 3koy s ILE 698 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3koy s ILE 698 Cb -0.10 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.87 3koy s ILE 698 CO 0.01 0.20 -0.00 -0.83 0.00 0.00 0.00 174.94 174.31 3koy s GLY 699 N 0.48 0.16 0.03 6.18 0.00 -0.54 -1.65 107.32 111.99 3koy s GLY 699 Ca -0.06 0.08 0.06 0.00 0.00 0.00 0.00 44.72 44.80 3koy s GLY 699 CO 0.00 0.33 -0.16 0.00 0.00 0.00 0.00 173.10 173.27 3koy s GLY 701 N -1.05 0.03 0.00 0.00 0.00 -1.04 0.03 107.32 105.28 3koy s GLY 701 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.39 3koy s GLY 701 CO 0.01 -0.42 0.00 0.61 0.00 0.00 0.00 173.10 173.30 3koy n GLY 702 N -0.29 0.91 0.27 0.20 0.00 -0.81 -1.93 105.19 103.55 3koy n GLY 702 Ca -0.10 -1.03 0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 1.04 0.95 -0.28 2.61 2.02 -1.85 -2.75 112.91 114.65 3koy h THR 703 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3koy h THR 703 Cb 0.00 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3koy h THR 703 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 3koy n GLN 704 N -4.49 2.98 -3.26 6.66 1.13 -1.26 -4.48 117.38 114.67 3koy n GLN 704 Ca -0.02 -2.87 -0.38 0.00 -1.94 0.00 0.00 57.00 51.79 3koy n GLN 704 Cb 0.14 -1.87 -0.06 0.00 0.11 0.00 0.00 30.24 28.56 3koy n GLN 704 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3koy s VAL 705 N -2.85 5.08 -0.16 5.09 1.01 -1.04 -5.06 120.40 122.47 3koy s VAL 705 Ca 0.43 1.10 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 3koy s VAL 705 Cb 0.35 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3koy s VAL 705 CO 0.09 0.36 -0.04 -0.89 0.00 0.00 0.00 175.10 174.62 3koy s THR 706 N 0.29 3.76 0.22 3.92 2.01 -1.26 -3.91 115.64 120.67 3koy s THR 706 Ca 0.29 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 3koy s THR 706 Cb -0.16 -2.65 0.25 0.00 0.01 0.00 0.00 72.50 69.94 3koy s THR 706 CO 0.14 0.48 1.58 -0.65 -0.69 0.00 0.00 174.62 175.48 3koy h PRO 707 N 6.92 -0.06 -0.72 4.92 0.11 -1.94 0.56 132.00 141.79 3koy h PRO 707 Ca -0.32 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.88 3koy h PRO 707 Cb 1.19 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3koy h PRO 707 CO 0.61 -0.04 0.38 0.93 -0.21 0.00 0.00 178.00 179.67 3koy h GLU 708 N -0.06 0.64 -0.22 1.05 3.07 -1.95 -1.77 114.58 115.33 3koy h GLU 708 Ca 0.33 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.04 3koy h GLU 708 Cb 0.58 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3koy h GLU 708 CO -0.82 0.42 -0.32 0.28 -1.40 0.00 0.00 179.01 177.17 3koy h VAL 709 N 0.66 1.28 0.05 3.13 2.07 -1.31 -2.32 116.25 119.81 3koy h VAL 709 Ca 0.34 -1.39 -0.24 0.00 0.82 0.00 0.00 66.70 66.24 3koy h VAL 709 Cb 0.32 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3koy h VAL 709 CO -0.24 0.43 -1.05 0.00 0.02 0.00 0.00 177.57 176.74 3koy h ALA 710 N 1.27 0.30 0.00 1.67 0.00 -1.29 -2.71 119.26 118.51 3koy h ALA 710 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3koy h ALA 710 Cb 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3koy h ALA 710 CO 0.06 0.93 0.00 0.28 0.00 0.00 0.00 179.25 180.52 3koy n VAL 711 N -3.61 0.00 0.34 0.00 0.31 -0.68 -1.78 118.33 112.90 3koy n VAL 711 Ca -0.06 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.33 3koy n VAL 711 Cb 0.91 -0.56 -0.09 0.00 -0.91 0.00 0.00 33.84 33.19 3koy n VAL 711 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3koy n LYS 712 N -0.82 1.61 0.12 5.55 5.02 -0.90 -4.45 118.16 124.28 3koy n LYS 712 Ca 0.08 -0.06 0.13 0.00 -2.02 0.00 0.00 58.31 56.44 3koy n LYS 712 Cb 0.04 -1.22 0.30 0.00 -0.02 0.00 0.00 35.03 34.13 3koy n LYS 712 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3koy h GLN 713 N 0.00 0.00 0.00 1.97 1.08 -1.23 -3.47 115.11 113.46 3koy h GLN 713 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3koy h GLN 713 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3koy h GLN 713 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 3koy n GLY 714 N 1.27 1.28 3.99 3.46 0.00 -1.23 -4.28 105.19 109.67 3koy n GLY 714 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 3.64 0.05 1.61 -7.23 -1.19 -4.86 120.40 110.41 3koy s VAL 715 Ca 0.00 -0.93 -0.14 0.00 -1.81 0.00 0.00 61.98 59.10 3koy s VAL 715 Cb 0.00 -3.26 -0.31 0.00 0.56 0.00 0.00 36.38 33.37 3koy s VAL 715 CO 0.00 -0.11 1.08 0.44 -0.31 0.00 0.00 175.10 176.20 3koy h ASP 716 N 0.72 0.84 -5.21 4.85 3.32 -1.61 -3.39 116.42 115.93 3koy h ASP 716 Ca -0.44 -0.82 -0.05 0.00 0.02 0.00 0.00 57.03 55.74 3koy h ASP 716 Cb 1.27 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 40.47 3koy h ASP 716 CO 0.51 1.62 -0.05 0.00 -1.72 0.00 0.00 179.24 179.60 3koy s ALA 717 N -2.85 -0.34 -0.03 3.45 0.00 -1.20 -4.89 121.76 115.91 3koy s ALA 717 Ca -0.09 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 3koy s ALA 717 Cb 0.05 1.03 0.01 0.00 0.00 0.00 0.00 23.12 24.21 3koy s ALA 717 CO 0.93 -0.88 0.17 0.20 0.00 0.00 0.00 175.76 176.18 3koy s GLY 718 N -3.02 -0.04 -0.06 0.00 0.00 -1.26 -2.35 107.32 100.58 3koy s GLY 718 Ca 0.21 0.16 0.02 0.00 0.00 0.00 0.00 44.72 45.11 3koy s GLY 718 CO 0.10 0.04 -0.13 -1.36 0.00 0.00 0.00 173.10 171.75 3koy s PHE 719 N -0.79 1.47 0.00 1.90 0.08 0.10 -4.34 117.98 116.40 3koy s PHE 719 Ca -0.09 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.44 3koy s PHE 719 Cb -0.05 -1.07 0.00 0.00 -0.57 0.00 0.00 43.02 41.33 3koy s PHE 719 CO 0.01 -0.26 0.00 0.41 -0.10 0.00 0.00 175.22 175.28 3koy n GLY 720 N 3.73 3.71 3.58 4.36 0.00 -1.25 -1.93 105.19 117.38 3koy n GLY 720 Ca -0.22 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 3koy n GLY 720 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3koy n ARG 721 N 0.00 0.09 -1.80 1.61 1.74 -1.26 -3.18 116.66 113.86 3koy n ARG 721 Ca 0.00 0.09 -0.19 0.00 -0.77 0.00 0.00 57.85 56.98 3koy n ARG 721 Cb 0.00 -2.16 -0.06 0.00 -1.02 0.00 0.00 32.46 29.22 3koy n ARG 721 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3koy n GLY 722 N 1.01 1.16 3.78 -0.13 0.00 -1.26 -4.95 105.19 104.80 3koy n GLY 722 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.46 6.28 0.33 1.61 0.01 -1.19 -5.07 113.70 113.21 3koy s SER 723 Ca 0.00 2.06 0.07 0.00 1.31 0.00 0.00 55.95 59.40 3koy s SER 723 Cb 0.00 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 3koy s SER 723 CO 0.00 -0.83 -0.05 -0.54 0.41 0.00 0.00 173.24 172.24 3koy s LYS 724 N -2.99 1.73 0.04 12.44 -0.14 -1.26 -4.90 119.74 124.65 3koy s LYS 724 Ca 0.66 -1.91 0.20 0.00 -1.36 0.00 0.00 55.97 53.55 3koy s LYS 724 Cb -0.21 -1.39 0.82 0.00 -1.68 0.00 0.00 37.83 35.37 3koy s LYS 724 CO 0.25 0.03 1.62 0.41 -0.76 0.00 0.00 175.35 176.90 3koy n GLY 725 N -0.73 -1.19 0.23 -3.33 0.00 -1.18 -2.69 105.19 96.30 3koy n GLY 725 Ca -0.05 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 3koy n GLY 725 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3koy h ILE 726 N 0.00 1.29 0.37 -0.61 6.09 -1.89 -2.63 117.51 120.13 3koy h ILE 726 Ca 0.00 -1.63 -0.02 0.00 -1.37 0.00 0.00 64.86 61.84 3koy h ILE 726 Cb 0.35 1.65 0.00 0.00 0.47 0.00 0.00 36.82 39.29 3koy h ILE 726 CO 0.00 0.52 -0.18 0.45 -3.07 0.00 0.00 178.15 175.88 3koy h HIS 727 N 0.54 -0.45 -0.88 2.19 3.86 -1.88 0.29 115.15 118.82 3koy h HIS 727 Ca 0.02 -0.01 0.22 0.00 -1.16 0.00 0.00 60.37 59.44 3koy h HIS 727 Cb 1.04 0.15 -0.13 0.00 1.06 0.00 0.00 27.41 29.53 3koy h HIS 727 CO 0.08 -0.13 0.34 0.28 0.86 0.00 0.00 177.93 179.36 3koy h VAL 728 N -0.84 0.44 0.56 2.45 2.07 -1.69 0.42 116.25 119.66 3koy h VAL 728 Ca -0.05 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3koy h VAL 728 Cb 0.53 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3koy h VAL 728 CO 0.08 0.06 -0.27 0.00 0.02 0.00 0.00 177.57 177.46 3koy h ALA 729 N 1.72 -0.75 -0.55 1.67 0.00 -1.32 -1.13 119.26 118.89 3koy h ALA 729 Ca 0.55 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.37 3koy h ALA 729 Cb 1.05 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 3koy h ALA 729 CO -0.56 -0.79 -0.07 1.15 0.00 0.00 0.00 179.25 178.98 3koy h THR 730 N -1.03 0.49 -0.46 0.00 2.02 0.12 0.83 112.91 114.89 3koy h THR 730 Ca -0.08 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.12 3koy h THR 730 Cb 0.64 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3koy h THR 730 CO 0.13 0.01 0.31 0.15 0.37 0.00 0.00 175.52 176.48 3koy h PHE 731 N 0.05 0.49 0.04 3.16 3.57 -0.20 -0.94 116.94 123.12 3koy h PHE 731 Ca 0.28 0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.53 3koy h PHE 731 Cb 0.43 -0.16 0.02 0.00 2.79 0.00 0.00 35.95 39.03 3koy h PHE 731 CO -0.40 0.29 -1.05 -0.07 -2.23 0.00 0.00 178.31 174.85 3koy h LEU 732 N 0.51 0.85 -0.71 0.59 3.38 0.36 0.05 115.31 120.34 3koy h LEU 732 Ca 0.19 -0.77 -0.14 0.00 0.09 0.00 0.00 57.88 57.25 3koy h LEU 732 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3koy h LEU 732 CO -0.05 1.52 -0.62 -0.37 0.09 0.00 0.00 178.44 179.02 3koy h VAL 733 N 0.28 1.42 0.11 1.22 -1.51 -0.75 -2.75 116.25 114.27 3koy h VAL 733 Ca -0.14 -2.06 -0.01 0.00 -1.23 0.00 0.00 66.70 63.26 3koy h VAL 733 Cb 1.72 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 32.97 3koy h VAL 733 CO 0.20 0.60 -0.05 0.11 -1.23 0.00 0.00 177.57 177.20 3koy h LYS 734 N 0.08 -0.14 -0.90 5.19 1.57 -1.24 -3.34 116.57 117.77 3koy h LYS 734 Ca -0.01 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3koy h LYS 734 Cb 1.11 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 3koy h LYS 734 CO 0.09 0.31 0.56 -0.22 -0.57 0.00 0.00 179.45 179.61 3koy h LYS 735 N -0.92 1.22 -0.01 3.15 1.63 -1.03 -0.77 116.57 119.84 3koy h LYS 735 Ca -0.02 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3koy h LYS 735 Cb 0.52 -0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 3koy h LYS 735 CO 0.03 0.84 0.01 -0.09 -3.45 0.00 0.00 179.45 176.79 3koy h ARG 736 N 1.24 0.00 0.14 1.90 2.43 -1.67 -1.50 114.38 116.93 3koy h ARG 736 Ca 0.33 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.19 3koy h ARG 736 Cb -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3koy h ARG 736 CO -0.06 0.00 -1.50 0.00 -1.51 0.00 0.00 179.97 176.90 3koy h ARG 737 N 0.00 0.30 0.00 0.20 3.08 -1.30 -2.79 114.38 113.87 3koy h ARG 737 Ca 0.00 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3koy h ARG 737 Cb 0.03 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3koy h ARG 737 CO -0.00 1.19 0.08 0.39 -1.07 0.00 0.00 179.97 180.56 3koy n GLU 738 N -3.51 0.00 -0.04 0.04 1.02 -0.57 -1.31 120.64 116.27 3koy n GLU 738 Ca -0.16 0.34 -0.04 0.00 -0.02 0.00 0.00 57.16 57.28 3koy n GLU 738 Cb 1.05 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.83 3koy n GLU 738 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3koy n MET 739 N -1.32 2.27 0.00 3.49 2.81 -1.18 -5.10 117.12 118.09 3koy n MET 739 Ca 0.00 0.01 0.16 0.00 -1.81 0.00 0.00 57.70 56.06 3koy n MET 739 Cb 0.08 -1.19 0.94 0.00 -0.71 0.00 0.00 33.22 32.35 3koy n MET 739 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02