#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kow n GLN 6 N 0.00 0.00 -2.09 3.23 0.00 -1.26 -5.06 117.38 112.21 3kow n GLN 6 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 3kow n GLN 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3kow n GLN 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3kow n LEU 7 N 0.00 -4.12 -4.73 1.69 7.99 -1.26 -5.02 117.00 111.55 3kow n LEU 7 Ca 0.00 0.08 -0.37 0.00 -0.01 0.00 0.00 56.01 55.71 3kow n LEU 7 Cb 0.00 -1.94 -0.07 0.00 -0.11 0.00 0.00 43.42 41.30 3kow n LEU 7 CO 0.00 -0.67 0.03 -0.13 -1.51 0.00 0.00 177.39 175.11 3kow s ARG 8 N -2.41 4.26 0.00 3.23 0.52 -1.26 -4.91 118.95 118.38 3kow s ARG 8 Ca 0.04 0.18 0.10 0.00 -0.52 0.00 0.00 55.73 55.53 3kow s ARG 8 Cb -0.01 -3.42 0.53 0.00 0.52 0.00 0.00 34.95 32.57 3kow s ARG 8 CO 0.30 0.24 1.18 1.33 0.02 0.00 0.00 175.30 178.37 3kow n VAL 9 N 3.54 0.61 -0.93 3.52 0.24 -1.26 -0.62 118.33 123.43 3kow n VAL 9 Ca -0.11 0.15 0.05 0.00 -2.04 0.00 0.00 64.34 62.39 3kow n VAL 9 Cb 0.52 -0.99 0.07 0.00 -1.47 0.00 0.00 33.84 31.97 3kow n VAL 9 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3kow n ASN 10 N -1.23 1.70 -4.64 -1.34 6.94 -1.26 -5.02 115.26 110.40 3kow n ASN 10 Ca 0.05 -2.46 -0.30 0.00 -0.02 0.00 0.00 54.58 51.86 3kow n ASN 10 Cb 0.07 -0.25 -0.09 0.00 -2.36 0.00 0.00 39.78 37.16 3kow n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3kow s GLU 11 N -1.70 2.37 0.82 -3.83 2.02 0.21 -5.12 118.70 113.47 3kow s GLU 11 Ca 0.16 -0.94 -0.12 0.00 0.02 0.00 0.00 54.97 54.09 3kow s GLU 11 Cb 0.14 -2.43 0.08 0.00 0.10 0.00 0.00 34.13 32.02 3kow s GLU 11 CO 0.02 0.52 1.13 0.15 0.02 0.00 0.00 175.26 177.09 3kow s LYS 12 N -2.35 1.92 0.30 1.61 1.02 -1.26 -4.80 119.74 116.18 3kow s LYS 12 Ca 0.24 0.39 -0.29 0.00 0.02 0.00 0.00 55.97 56.33 3kow s LYS 12 Cb -0.11 -1.92 -0.09 0.00 -0.52 0.00 0.00 37.83 35.18 3kow s LYS 12 CO 0.17 -1.68 1.10 -0.51 -0.92 0.00 0.00 175.35 173.50 3kow s LEU 13 N -5.73 4.50 -1.07 3.17 1.43 -1.26 -4.92 118.68 114.79 3kow s LEU 13 Ca 0.61 2.26 -0.14 0.00 -1.03 0.00 0.00 54.13 55.83 3kow s LEU 13 Cb -0.13 -3.69 0.19 0.00 0.03 0.00 0.00 46.19 42.59 3kow s LEU 13 CO 0.52 -0.20 1.20 -0.62 0.23 0.00 0.00 176.35 177.49 3kow s ASP 14 N -0.95 6.99 0.27 2.29 -1.08 -1.26 -4.82 116.67 118.11 3kow s ASP 14 Ca 0.46 -2.89 0.00 0.00 -0.52 0.00 0.00 52.55 49.60 3kow s ASP 14 Cb -0.31 -2.33 0.60 0.00 -1.46 0.00 0.00 42.92 39.42 3kow s ASP 14 CO 0.40 -0.68 1.72 1.62 0.52 0.00 0.00 175.17 178.74 3kow h VAL 15 N 4.70 0.57 -0.15 1.11 3.04 -1.94 0.13 116.25 123.71 3kow h VAL 15 Ca 0.22 -0.15 0.03 0.00 -1.01 0.00 0.00 66.70 65.79 3kow h VAL 15 Cb 0.93 0.09 -0.03 0.00 -2.01 0.00 0.00 31.29 30.27 3kow h VAL 15 CO 1.09 0.08 -0.06 -0.08 -1.01 0.00 0.00 177.57 177.59 3kow h GLU 16 N 0.44 -0.04 0.00 4.17 4.57 -1.99 0.03 114.58 121.77 3kow h GLU 16 Ca 0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 3kow h GLU 16 Cb 0.84 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3kow h GLU 16 CO -0.47 -0.03 0.00 -1.71 -1.18 0.00 0.00 179.01 175.62 3kow n ASN 17 N -5.20 0.00 0.00 1.04 5.15 -0.70 -2.99 115.26 112.55 3kow n ASN 17 Ca -0.03 -0.07 -0.15 0.00 -0.60 0.00 0.00 54.58 53.73 3kow n ASN 17 Cb 0.13 -0.29 -0.14 0.00 -0.53 0.00 0.00 39.78 38.95 3kow n ASN 17 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3kow h ILE 18 N 0.00 0.81 0.00 -1.44 2.04 0.94 -3.32 117.51 116.55 3kow h ILE 18 Ca 0.00 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.27 3kow h ILE 18 Cb 0.24 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3kow h ILE 18 CO 0.00 0.70 0.00 0.18 0.00 0.00 0.00 178.15 179.03 3kow n LEU 19 N -3.27 0.00 -4.72 1.44 4.77 -0.18 -4.77 117.00 110.28 3kow n LEU 19 Ca -0.22 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 3kow n LEU 19 Cb 1.05 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.85 3kow n LEU 19 CO 0.45 -0.09 0.55 -0.54 -1.33 0.00 0.00 177.39 176.42 3kow s LYS 20 N -2.50 4.51 -0.74 3.23 1.02 -1.22 -4.17 119.74 119.88 3kow s LYS 20 Ca 0.20 1.17 -0.01 0.00 0.02 0.00 0.00 55.97 57.35 3kow s LYS 20 Cb 0.13 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 3kow s LYS 20 CO 0.29 0.05 0.62 -0.25 -0.92 0.00 0.00 175.35 175.13 3kow n ASP 21 N 3.66 -2.44 0.10 2.83 8.00 -1.26 -4.95 116.55 122.50 3kow n ASP 21 Ca 0.02 -0.39 -0.16 0.00 0.71 0.00 0.00 54.79 54.96 3kow n ASP 21 Cb 0.51 -3.40 -0.13 0.00 -0.02 0.00 0.00 41.12 38.08 3kow n ASP 21 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kow h LEU 22 N -1.11 0.45 -1.98 0.64 3.38 -1.87 -2.87 115.31 111.95 3kow h LEU 22 Ca -0.37 -0.47 0.27 0.00 0.09 0.00 0.00 57.88 57.40 3kow h LEU 22 Cb 1.21 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 3kow h LEU 22 CO 0.31 1.36 0.70 -2.24 0.09 0.00 0.00 178.44 178.65 3kow h ASP 23 N 0.09 0.00 0.64 -0.43 3.04 -1.93 -2.00 116.42 115.83 3kow h ASP 23 Ca -0.13 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 3kow h ASP 23 Cb 1.94 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.23 3kow h ASP 23 CO 0.20 0.00 -1.02 0.29 -2.04 0.00 0.00 179.24 176.68 3kow n LYS 24 N -4.17 0.41 -2.30 4.15 5.02 -1.09 -4.98 118.16 115.20 3kow n LYS 24 Ca 0.20 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 56.15 3kow n LYS 24 Cb 1.02 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 34.35 3kow n LYS 24 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3kow s TYR 25 N -3.26 2.97 -0.06 2.13 5.04 -0.75 -5.04 117.35 118.37 3kow s TYR 25 Ca 0.02 1.55 0.01 0.00 -2.44 0.00 0.00 57.07 56.21 3kow s TYR 25 Cb 0.13 -3.35 0.02 0.00 0.35 0.00 0.00 41.96 39.11 3kow s TYR 25 CO 0.79 -1.35 -0.06 0.99 -1.34 0.00 0.00 175.55 174.58 3kow s THR 26 N -1.52 0.69 0.20 4.34 2.01 -1.26 -5.06 115.64 115.03 3kow s THR 26 Ca 0.61 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 3kow s THR 26 Cb -0.28 -0.71 -0.17 0.00 0.01 0.00 0.00 72.50 71.35 3kow s THR 26 CO 0.35 0.27 0.72 -2.65 -0.69 0.00 0.00 174.62 172.62 3kow n PRO 27 N 4.25 0.35 -0.03 4.92 -0.02 -1.26 -4.91 135.00 138.29 3kow n PRO 27 Ca -0.21 0.12 -0.02 0.00 -2.02 0.00 0.00 63.50 61.38 3kow n PRO 27 Cb 0.51 -1.28 -0.01 0.00 -0.02 0.00 0.00 33.50 32.70 3kow n PRO 27 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kow h LYS 28 N 1.57 0.00 -6.39 -0.52 1.57 -1.94 -3.49 116.57 107.37 3kow h LYS 28 Ca -0.34 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.98 3kow h LYS 28 Cb 1.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.73 3kow h LYS 28 CO 0.59 0.00 -0.25 -0.98 -0.57 0.00 0.00 179.45 178.24 3kow s ARG 29 N -1.54 2.61 -0.06 3.15 1.70 -1.26 -5.14 118.95 118.41 3kow s ARG 29 Ca -0.06 -1.44 -0.05 0.00 -0.47 0.00 0.00 55.73 53.71 3kow s ARG 29 Cb 0.01 -2.61 0.01 0.00 -0.57 0.00 0.00 34.95 31.80 3kow s ARG 29 CO 0.09 -0.40 0.15 1.03 -1.08 0.00 0.00 175.30 175.09 3kow s ARG 30 N -4.36 0.19 0.00 3.89 0.52 -1.26 -4.81 118.95 113.11 3kow s ARG 30 Ca 0.54 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.94 3kow s ARG 30 Cb -0.07 0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.49 3kow s ARG 30 CO 0.32 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.03 3kow n GLY 31 N 2.96 0.68 3.73 -3.53 0.00 -1.26 -4.98 105.19 102.79 3kow n GLY 31 Ca -0.13 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 3kow n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kow s TRP 32 N -1.27 3.65 -0.13 1.61 -0.11 -1.03 -4.72 118.94 116.95 3kow s TRP 32 Ca 0.00 1.64 0.03 0.00 1.22 0.00 0.00 56.10 58.98 3kow s TRP 32 Cb 0.00 -3.20 0.00 0.00 -1.50 0.00 0.00 33.47 28.77 3kow s TRP 32 CO 0.00 -0.35 -0.22 0.95 -4.62 0.00 0.00 176.95 172.71 3kow s THR 33 N 0.18 2.17 0.00 5.86 -4.23 -1.26 -5.07 115.64 113.29 3kow s THR 33 Ca 0.50 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 3kow s THR 33 Cb -0.26 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3kow s THR 33 CO 0.31 0.55 0.00 0.79 -0.54 0.00 0.00 174.62 175.73 3kow n TRP 34 N 3.86 -0.79 -4.61 3.99 7.02 -1.26 -4.84 117.44 120.81 3kow n TRP 34 Ca -0.19 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 55.97 3kow n TRP 34 Cb 0.52 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.29 3kow n TRP 34 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3kow s ARG 35 N -0.36 2.27 -0.39 -0.99 0.52 -1.26 -5.01 118.95 113.73 3kow s ARG 35 Ca 0.00 -0.87 -0.23 0.00 -0.52 0.00 0.00 55.73 54.11 3kow s ARG 35 Cb 0.00 -2.31 0.01 0.00 0.52 0.00 0.00 34.95 33.17 3kow s ARG 35 CO 0.00 0.57 0.76 -0.65 0.02 0.00 0.00 175.30 176.00 3kow s GLN 36 N -1.38 3.65 0.08 3.54 -1.52 -1.26 -4.98 119.66 117.78 3kow s GLN 36 Ca 0.15 0.16 -0.35 0.00 -1.95 0.00 0.00 55.36 53.38 3kow s GLN 36 Cb -0.11 -3.85 -0.14 0.00 -0.22 0.00 0.00 33.01 28.70 3kow s GLN 36 CO 0.06 -0.91 1.62 -2.30 -0.25 0.00 0.00 175.29 173.51 3kow n PRO 37 N 6.45 2.00 -3.22 2.91 -0.02 -1.26 -1.61 135.00 140.26 3kow n PRO 37 Ca 0.02 0.72 -0.46 0.00 -2.02 0.00 0.00 63.50 61.77 3kow n PRO 37 Cb 0.48 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 3kow n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kow s ALA 38 N 1.68 3.62 0.03 3.55 0.00 0.43 -4.72 121.76 126.34 3kow s ALA 38 Ca 0.83 -2.57 -0.30 0.00 0.00 0.00 0.00 51.96 49.92 3kow s ALA 38 Cb -0.73 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 18.89 3kow s ALA 38 CO 0.43 -2.24 1.17 -2.00 0.00 0.00 0.00 175.76 173.12 3kow s GLU 39 N 1.83 4.43 -1.41 0.00 2.56 -1.26 -3.39 118.70 121.46 3kow s GLU 39 Ca 0.10 1.70 -0.09 0.00 0.00 0.00 0.00 54.97 56.68 3kow s GLU 39 Cb -0.23 -3.41 0.04 0.00 2.00 0.00 0.00 34.13 32.53 3kow s GLU 39 CO 0.02 -0.27 1.02 0.09 -0.56 0.00 0.00 175.26 175.55 3kow n ASN 40 N 4.21 -4.60 -4.70 -1.70 3.02 -1.15 -4.90 115.26 105.44 3kow n ASN 40 Ca 0.09 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.53 3kow n ASN 40 Cb 0.47 -4.41 -0.03 0.00 -0.61 0.00 0.00 39.78 35.20 3kow n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kow s LEU 41 N -7.13 4.34 -0.18 3.41 2.96 -1.04 -4.66 118.68 116.38 3kow s LEU 41 Ca 0.49 2.27 -0.13 0.00 -0.22 0.00 0.00 54.13 56.54 3kow s LEU 41 Cb -0.23 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.84 3kow s LEU 41 CO 0.78 -0.74 0.25 -1.58 -1.32 0.00 0.00 176.35 173.75 3kow s GLN 42 N 2.03 4.22 -0.08 1.98 0.74 -1.26 0.41 119.66 127.69 3kow s GLN 42 Ca 0.66 -0.01 -0.06 0.00 0.05 0.00 0.00 55.36 56.01 3kow s GLN 42 Cb -0.35 -3.45 0.03 0.00 1.10 0.00 0.00 33.01 30.34 3kow s GLN 42 CO 0.29 0.21 0.20 -1.64 -0.55 0.00 0.00 175.29 173.80 3kow s MET 43 N 0.59 0.19 2.17 1.67 -1.94 0.37 -4.96 119.30 117.39 3kow s MET 43 Ca 0.14 0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 3kow s MET 43 Cb -0.13 -0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.69 3kow s MET 43 CO 0.03 -0.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.35 3kow n GLY 44 N 3.65 2.79 0.13 -0.03 0.00 -1.26 0.54 105.19 111.02 3kow n GLY 44 Ca -0.20 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3kow n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kow n PRO 45 N 14.00 0.76 -4.25 1.61 -0.02 -1.26 -4.96 135.00 140.88 3kow n PRO 45 Ca 0.00 -0.26 -0.27 0.00 -2.02 0.00 0.00 63.50 60.95 3kow n PRO 45 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.90 3kow n PRO 45 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3kow s PHE 46 N -2.42 2.74 -0.10 6.00 0.08 0.19 -5.13 117.98 119.33 3kow s PHE 46 Ca 0.30 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 57.21 3kow s PHE 46 Cb 0.20 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.31 3kow s PHE 46 CO 0.46 0.51 -0.24 0.42 -0.10 0.00 0.00 175.22 176.27 3kow s ILE 47 N -1.68 2.04 -0.15 0.64 1.01 -1.26 0.14 121.20 121.93 3kow s ILE 47 Ca 0.26 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 3kow s ILE 47 Cb -0.09 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 3kow s ILE 47 CO 0.17 0.56 -0.10 -0.31 0.00 0.00 0.00 174.94 175.26 3kow s TYR 48 N 0.37 2.88 -0.64 3.97 2.02 0.16 -4.94 117.35 121.18 3kow s TYR 48 Ca -0.18 -0.66 0.25 0.00 -0.37 0.00 0.00 57.07 56.10 3kow s TYR 48 Cb -0.18 -1.92 0.48 0.00 -0.40 0.00 0.00 41.96 39.94 3kow s TYR 48 CO 0.08 -0.26 1.47 0.87 -1.57 0.00 0.00 175.55 176.14 3kow h LYS 49 N 7.02 0.00 0.00 -0.62 6.56 -1.91 -2.73 116.57 124.90 3kow h LYS 49 Ca -0.30 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.18 3kow h LYS 49 Cb 1.20 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.62 3kow h LYS 49 CO 0.58 0.00 -0.82 -0.25 -2.06 0.00 0.00 179.45 176.90 3kow n ASP 50 N -2.23 1.27 -4.77 0.86 8.00 -1.26 -4.73 116.55 113.70 3kow n ASP 50 Ca 0.04 -2.74 -0.23 0.00 0.71 0.00 0.00 54.79 52.57 3kow n ASP 50 Cb 0.45 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 41.10 3kow n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kow s ALA 51 N -1.26 3.46 0.43 2.24 0.00 -1.26 -3.57 121.76 121.79 3kow s ALA 51 Ca 0.35 -1.45 0.08 0.00 0.00 0.00 0.00 51.96 50.94 3kow s ALA 51 Cb 0.38 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3kow s ALA 51 CO -0.13 0.30 0.44 -1.54 0.00 0.00 0.00 175.76 174.83 3kow s SER 52 N -3.65 5.20 0.10 0.00 1.04 0.34 -0.43 113.70 116.30 3kow s SER 52 Ca 0.32 -0.68 -0.36 0.00 0.48 0.00 0.00 55.95 55.71 3kow s SER 52 Cb -0.08 -0.54 -0.17 0.00 0.10 0.00 0.00 66.02 65.34 3kow s SER 52 CO 0.23 -0.72 1.28 0.41 0.98 0.00 0.00 173.24 175.43 3kow n THR 53 N -1.65 0.22 -2.20 2.02 -1.04 -0.63 -4.34 114.28 106.65 3kow n THR 53 Ca 0.05 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.05 61.68 3kow n THR 53 Cb 0.61 -0.79 -0.01 0.00 -1.82 0.00 0.00 70.33 68.32 3kow n THR 53 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kow s PRO 54 N 0.26 3.59 0.39 -2.82 0.02 -1.26 -4.79 135.00 130.38 3kow s PRO 54 Ca 0.82 1.11 -0.24 0.00 0.02 0.00 0.00 61.00 62.71 3kow s PRO 54 Cb -0.94 -2.08 -0.09 0.00 0.02 0.00 0.00 34.50 31.41 3kow s PRO 54 CO 0.48 -0.58 1.02 -0.51 -0.33 0.00 0.00 177.00 177.09 3kow s LEU 55 N -4.29 4.17 0.18 -5.54 1.43 -1.26 -4.95 118.68 108.41 3kow s LEU 55 Ca 0.62 1.98 -0.10 0.00 -1.03 0.00 0.00 54.13 55.60 3kow s LEU 55 Cb -0.14 -4.17 0.08 0.00 0.03 0.00 0.00 46.19 41.99 3kow s LEU 55 CO 0.34 -0.40 1.67 -0.33 0.23 0.00 0.00 176.35 177.87 3kow h GLU 56 N 2.60 1.05 -3.46 1.70 5.08 -1.70 -3.42 114.58 116.42 3kow h GLU 56 Ca -0.48 -0.28 -0.51 0.00 -1.00 0.00 0.00 59.36 57.09 3kow h GLU 56 Cb 1.21 -0.12 -0.40 0.00 0.50 0.00 0.00 28.75 29.94 3kow h GLU 56 CO 0.63 0.98 -0.76 -0.80 -1.00 0.00 0.00 179.01 178.05 3kow s ASN 57 N -6.44 2.83 0.18 1.42 0.01 -1.18 -5.03 114.94 106.73 3kow s ASN 57 Ca -0.12 -0.80 -0.06 0.00 -0.71 0.00 0.00 52.86 51.18 3kow s ASN 57 Cb 0.14 -0.54 -0.02 0.00 0.41 0.00 0.00 41.25 41.23 3kow s ASN 57 CO 0.84 -0.31 0.22 -0.94 -1.51 0.00 0.00 177.10 175.40 3kow s SER 58 N 1.90 0.11 -0.31 -1.22 1.04 -1.26 -4.63 113.70 109.34 3kow s SER 58 Ca -0.00 -1.08 -0.12 0.00 0.48 0.00 0.00 55.95 55.23 3kow s SER 58 Cb -0.17 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 3kow s SER 58 CO -0.08 -0.87 0.21 -0.69 0.98 0.00 0.00 173.24 172.78 3kow s VAL 59 N -4.04 5.24 0.76 5.02 1.01 -0.90 -5.06 120.40 122.44 3kow s VAL 59 Ca 0.25 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 3kow s VAL 59 Cb 0.05 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.89 3kow s VAL 59 CO 0.04 0.13 1.11 0.00 0.00 0.00 0.00 175.10 176.39 3kow s ALA 60 N 1.73 2.58 0.72 5.51 0.00 -1.26 -4.74 121.76 126.31 3kow s ALA 60 Ca 0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 3kow s ALA 60 Cb -0.17 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 19.94 3kow s ALA 60 CO 0.10 -1.48 1.12 -0.51 0.00 0.00 0.00 175.76 174.99 3kow s LEU 61 N -5.57 3.24 0.55 0.00 1.43 -1.26 -4.93 118.68 112.14 3kow s LEU 61 Ca 0.60 2.01 0.26 0.00 -1.03 0.00 0.00 54.13 55.97 3kow s LEU 61 Cb -0.12 -4.55 1.46 0.00 0.03 0.00 0.00 46.19 43.00 3kow s LEU 61 CO 0.52 -1.94 2.01 -0.65 0.23 0.00 0.00 176.35 176.53 3kow h PRO 62 N -0.48 0.00 -0.35 1.29 0.11 -1.99 -2.15 132.00 128.43 3kow h PRO 62 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kow h PRO 62 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kow h PRO 62 CO 0.52 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.74 3kow n SER 63 N -4.17 2.73 0.30 -2.05 7.64 -1.26 -4.16 113.62 112.65 3kow n SER 63 Ca 0.07 -1.90 0.20 0.00 1.01 0.00 0.00 58.87 58.25 3kow n SER 63 Cb 0.54 -0.23 0.92 0.00 -1.01 0.00 0.00 64.21 64.43 3kow n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kow h ALA 64 N 4.24 1.00 0.02 -0.43 0.00 -1.70 -3.14 119.26 119.24 3kow h ALA 64 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kow h ALA 64 Cb 0.76 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3kow h ALA 64 CO 0.00 0.00 -0.52 0.87 0.00 0.00 0.00 179.25 179.60 3kow h LYS 65 N 0.00 -0.64 0.00 0.00 1.57 -1.81 0.16 116.57 115.84 3kow h LYS 65 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kow h LYS 65 Cb 0.26 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3kow h LYS 65 CO 0.00 -0.43 0.35 0.66 -0.57 0.00 0.00 179.45 179.46 3kow n TYR 66 N -5.37 0.00 -2.68 -1.35 4.01 -1.19 -1.10 117.16 109.48 3kow n TYR 66 Ca -0.07 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.62 3kow n TYR 66 Cb 0.39 -0.14 0.04 0.00 -0.31 0.00 0.00 39.34 39.32 3kow n TYR 66 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kow n PHE 67 N -1.13 1.54 -3.26 -0.72 3.72 0.36 -5.01 117.46 112.96 3kow n PHE 67 Ca 0.00 -2.18 -0.17 0.00 -0.05 0.00 0.00 57.45 55.04 3kow n PHE 67 Cb 0.35 -0.25 0.06 0.00 -0.94 0.00 0.00 39.48 38.69 3kow n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kow n GLY 68 N -0.60 -0.14 3.90 1.37 0.00 -0.26 -3.48 105.19 105.98 3kow n GLY 68 Ca 0.14 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3kow n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kow n ASP 69 N -1.74 -1.90 -4.87 1.61 8.00 -0.06 -4.96 116.55 112.64 3kow n ASP 69 Ca 0.00 -0.62 -0.31 0.00 0.71 0.00 0.00 54.79 54.57 3kow n ASP 69 Cb 0.55 -0.75 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 3kow n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3kow s ILE 70 N -4.30 4.73 -0.39 0.53 -4.36 -1.23 -4.91 121.20 111.28 3kow s ILE 70 Ca 0.23 0.77 0.01 0.00 -0.26 0.00 0.00 60.65 61.40 3kow s ILE 70 Cb -0.13 -3.71 0.15 0.00 1.25 0.00 0.00 42.46 40.01 3kow s ILE 70 CO 0.46 -0.50 0.25 -0.62 0.24 0.00 0.00 174.94 174.77 3kow s ASP 71 N -3.02 2.72 0.77 4.36 2.15 -1.26 -4.58 116.67 117.82 3kow s ASP 71 Ca 0.53 -2.50 -0.14 0.00 0.43 0.00 0.00 52.55 50.87 3kow s ASP 71 Cb -0.10 -0.52 0.06 0.00 -0.30 0.00 0.00 42.92 42.06 3kow s ASP 71 CO 0.29 -0.26 1.22 -2.84 -0.17 0.00 0.00 175.17 173.41 3kow s PRO 72 N 0.67 1.82 -0.05 4.34 0.02 -1.26 -4.68 135.00 135.86 3kow s PRO 72 Ca 0.22 1.82 0.04 0.00 0.02 0.00 0.00 61.00 63.10 3kow s PRO 72 Cb -0.16 -1.79 -0.00 0.00 0.02 0.00 0.00 34.50 32.57 3kow s PRO 72 CO -0.05 -2.09 -0.18 -0.65 -0.33 0.00 0.00 177.00 173.71 3kow s GLN 73 N -3.98 1.91 0.84 5.54 -1.52 -1.26 -5.03 119.66 116.16 3kow s GLN 73 Ca 0.75 -0.62 -0.11 0.00 -1.95 0.00 0.00 55.36 53.42 3kow s GLN 73 Cb -0.30 -1.63 0.13 0.00 -0.22 0.00 0.00 33.01 30.99 3kow s GLN 73 CO 0.48 0.22 1.19 -2.14 -0.25 0.00 0.00 175.29 174.79 3kow s PRO 74 N 0.12 1.44 -0.06 2.91 0.02 -1.26 -0.50 135.00 137.66 3kow s PRO 74 Ca -0.06 -0.29 -0.26 0.00 0.02 0.00 0.00 61.00 60.41 3kow s PRO 74 Cb -0.13 -1.99 -0.23 0.00 0.02 0.00 0.00 34.50 32.18 3kow s PRO 74 CO 0.03 -1.85 1.04 -0.07 -0.33 0.00 0.00 177.00 175.82 3kow h LEU 75 N -1.16 0.10 -9.87 -5.54 3.38 -1.88 -3.35 115.31 96.99 3kow h LEU 75 Ca -0.44 -0.74 -0.57 0.00 0.09 0.00 0.00 57.88 56.22 3kow h LEU 75 Cb 1.28 -0.03 0.16 0.00 0.09 0.00 0.00 40.66 42.16 3kow h LEU 75 CO 0.51 0.82 0.18 -2.65 0.09 0.00 0.00 178.44 177.40 3kow n PRO 76 N -4.64 0.94 -2.48 1.13 -0.02 -1.26 -4.70 135.00 123.97 3kow n PRO 76 Ca -0.09 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.33 3kow n PRO 76 Cb 0.41 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3kow n PRO 76 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kow s VAL 77 N -1.49 4.36 -0.34 -1.45 1.01 -1.07 -4.89 120.40 116.52 3kow s VAL 77 Ca 0.76 1.65 -0.18 0.00 0.00 0.00 0.00 61.98 64.22 3kow s VAL 77 Cb -0.41 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 3kow s VAL 77 CO 0.46 -0.10 0.50 -0.63 0.00 0.00 0.00 175.10 175.33 3kow s ILE 78 N 3.05 5.03 0.42 2.22 -1.09 -1.26 -1.29 121.20 128.28 3kow s ILE 78 Ca 0.53 0.34 -0.08 0.00 -2.23 0.00 0.00 60.65 59.21 3kow s ILE 78 Cb -0.21 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 3kow s ILE 78 CO 0.15 -0.19 0.75 -0.89 -1.23 0.00 0.00 174.94 173.54 3kow s THR 79 N 2.35 4.85 -0.12 2.92 2.01 0.10 -3.08 115.64 124.68 3kow s THR 79 Ca 0.18 0.42 -0.08 0.00 0.31 0.00 0.00 61.69 62.52 3kow s THR 79 Cb -0.16 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.62 3kow s THR 79 CO 0.13 -0.60 0.30 0.28 -0.69 0.00 0.00 174.62 174.04 3kow s THR 80 N -2.45 -0.02 -0.15 -0.82 -1.32 -0.84 -2.88 115.64 107.16 3kow s THR 80 Ca 0.49 0.07 -0.24 0.00 -1.21 0.00 0.00 61.69 60.80 3kow s THR 80 Cb -0.10 -0.44 -0.02 0.00 -1.51 0.00 0.00 72.50 70.43 3kow s THR 80 CO 0.35 0.03 0.78 -1.61 -2.21 0.00 0.00 174.62 171.96 3kow s GLU 81 N 0.75 4.32 -0.12 7.08 2.02 -1.26 -1.56 118.70 129.93 3kow s GLU 81 Ca -0.05 0.94 -0.01 0.00 0.02 0.00 0.00 54.97 55.87 3kow s GLU 81 Cb -0.06 -3.55 0.03 0.00 0.10 0.00 0.00 34.13 30.65 3kow s GLU 81 CO -0.05 -0.23 -0.05 0.42 0.02 0.00 0.00 175.26 175.37 3kow s ILE 82 N 1.82 0.91 -0.30 -1.63 1.01 0.12 -4.92 121.20 118.20 3kow s ILE 82 Ca 0.37 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.55 3kow s ILE 82 Cb -0.17 -1.01 0.18 0.00 0.01 0.00 0.00 42.46 41.46 3kow s ILE 82 CO 0.14 0.26 1.07 0.00 0.00 0.00 0.00 174.94 176.41 3kow s ALA 83 N 1.74 -3.02 0.00 9.38 0.00 -1.26 -4.23 121.76 124.37 3kow s ALA 83 Ca 0.04 1.83 0.00 0.00 0.00 0.00 0.00 51.96 53.83 3kow s ALA 83 Cb -0.13 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.76 3kow s ALA 83 CO -0.08 -1.09 0.00 -1.13 0.00 0.00 0.00 175.76 173.46 3kow n SER 84 N 5.01 1.31 0.00 0.00 3.41 -1.26 -4.50 113.62 117.59 3kow n SER 84 Ca -0.08 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3kow n SER 84 Cb 0.53 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 3kow n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kow n GLY 85 N 0.99 3.22 3.43 5.00 0.00 -1.25 -4.57 105.19 112.01 3kow n GLY 85 Ca 0.00 -1.00 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 3kow n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kow s ARG 86 N 0.00 3.99 0.62 1.61 0.52 -1.26 -3.66 118.95 120.77 3kow s ARG 86 Ca 0.00 -2.55 0.27 0.00 -0.52 0.00 0.00 55.73 52.93 3kow s ARG 86 Cb 0.00 -4.90 1.34 0.00 0.52 0.00 0.00 34.95 31.91 3kow s ARG 86 CO 0.00 -1.64 1.76 0.27 0.02 0.00 0.00 175.30 175.71 3kow h PHE 87 N 7.40 0.00 0.00 -0.53 -5.15 -1.96 0.69 116.94 117.39 3kow h PHE 87 Ca 0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.02 3kow h PHE 87 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.08 3kow h PHE 87 CO 1.04 0.00 -0.19 1.05 -2.00 0.00 0.00 178.31 178.22 3kow h GLU 88 N 0.00 0.00 0.00 6.09 9.09 -2.01 -1.88 114.58 125.88 3kow h GLU 88 Ca 0.19 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.48 3kow h GLU 88 Cb 1.35 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.43 3kow h GLU 88 CO -0.00 0.00 -1.15 -0.44 0.05 0.00 0.00 179.01 177.47 3kow h ASP 89 N 0.00 0.00 0.94 3.06 3.32 0.02 -3.37 116.42 120.39 3kow h ASP 89 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3kow h ASP 89 Cb 0.94 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 3kow h ASP 89 CO 0.00 0.44 -0.81 0.44 -1.72 0.00 0.00 179.24 177.58 3kow h ASP 90 N 0.00 0.00 -0.70 6.45 3.32 -1.18 -3.16 116.42 121.15 3kow h ASP 90 Ca -0.10 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.06 3kow h ASP 90 Cb 1.42 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.89 3kow h ASP 90 CO 0.04 0.81 0.30 0.40 -1.72 0.00 0.00 179.24 179.07 3kow h ILE 91 N 0.00 0.75 -0.33 0.35 2.04 -1.51 -1.05 117.51 117.76 3kow h ILE 91 Ca -0.01 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3kow h ILE 91 Cb 1.51 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3kow h ILE 91 CO 0.11 0.09 0.17 0.03 0.00 0.00 0.00 178.15 178.55 3kow h ARG 92 N 0.49 0.45 0.00 2.37 3.08 -1.75 -2.34 114.38 116.69 3kow h ARG 92 Ca 0.36 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.25 3kow h ARG 92 Cb 0.47 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3kow h ARG 92 CO -0.33 0.34 -0.60 -0.09 -1.07 0.00 0.00 179.97 178.23 3kow h ARG 93 N 0.46 0.00 0.00 0.04 2.43 -1.34 -3.10 114.38 112.86 3kow h ARG 93 Ca 0.12 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3kow h ARG 93 Cb 0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3kow h ARG 93 CO -0.02 0.60 -0.36 0.52 -1.51 0.00 0.00 179.97 179.20 3kow h MET 94 N 0.00 0.00 -0.17 0.20 2.86 -0.67 -1.28 114.93 115.86 3kow h MET 94 Ca -0.01 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 3kow h MET 94 Cb 1.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.01 3kow h MET 94 CO 0.08 0.36 -0.33 -0.09 1.06 0.00 0.00 176.91 177.98 3kow h ARG 95 N 0.00 0.53 -0.62 1.72 2.43 -1.45 -1.63 114.38 115.35 3kow h ARG 95 Ca -0.00 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 3kow h ARG 95 Cb 0.73 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3kow h ARG 95 CO 0.05 0.95 0.32 0.52 -1.51 0.00 0.00 179.97 180.29 3kow h MET 96 N 0.18 0.88 -0.52 0.20 2.86 -1.54 -2.30 114.93 114.68 3kow h MET 96 Ca 0.01 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 3kow h MET 96 Cb 0.93 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 3kow h MET 96 CO 0.07 0.69 0.01 0.00 1.06 0.00 0.00 176.91 178.74 3kow h ALA 97 N 1.14 1.03 -0.42 6.32 0.00 -1.24 -2.56 119.26 123.53 3kow h ALA 97 Ca 0.22 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3kow h ALA 97 Cb 0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3kow h ALA 97 CO -0.03 0.60 0.12 0.00 0.00 0.00 0.00 179.25 179.94 3kow h ALA 98 N 1.19 0.48 0.00 0.00 0.00 -0.88 0.05 119.26 120.10 3kow h ALA 98 Ca 0.15 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3kow h ALA 98 Cb 0.48 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kow h ALA 98 CO 0.02 -0.28 -0.29 -1.49 0.00 0.00 0.00 179.25 177.21 3kow h TRP 99 N 0.27 0.00 -0.00 0.00 4.06 -1.27 -2.30 115.95 116.71 3kow h TRP 99 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 3kow h TRP 99 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3kow h TRP 99 CO -0.18 0.29 -0.27 0.72 -3.56 0.00 0.00 178.44 175.44 3kow n HIS 100 N -3.83 0.00 0.00 0.49 8.25 -0.81 -2.12 115.22 117.20 3kow n HIS 100 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3kow n HIS 100 Cb 0.38 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3kow n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kow n GLY 101 N 1.42 1.29 3.69 -1.41 0.00 -0.86 -4.61 105.19 104.70 3kow n GLY 101 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3kow n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow s ALA 102 N -0.86 3.70 -0.09 4.61 0.00 -0.06 -4.74 121.76 124.32 3kow s ALA 102 Ca 0.00 1.25 0.15 0.00 0.00 0.00 0.00 51.96 53.36 3kow s ALA 102 Cb 0.00 -3.71 0.32 0.00 0.00 0.00 0.00 23.12 19.73 3kow s ALA 102 CO 0.00 -1.14 1.15 -0.40 0.00 0.00 0.00 175.76 175.37 3kow n ASP 103 N 5.66 1.28 -3.42 0.00 5.75 -1.18 -3.99 116.55 120.65 3kow n ASP 103 Ca 0.16 -2.79 -0.16 0.00 -0.01 0.00 0.00 54.79 51.99 3kow n ASP 103 Cb 0.40 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 40.01 3kow n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3kow s HIS 104 N -1.54 -0.47 -0.20 2.11 5.04 -1.22 -1.22 115.29 117.79 3kow s HIS 104 Ca 0.28 0.18 -0.08 0.00 -1.54 0.00 0.00 55.06 53.90 3kow s HIS 104 Cb 0.29 -0.33 -0.04 0.00 0.04 0.00 0.00 32.58 32.54 3kow s HIS 104 CO -0.07 -0.76 0.08 0.42 -2.34 0.00 0.00 174.74 172.07 3kow s ILE 105 N 2.39 4.85 -0.17 0.89 -1.09 0.55 -1.98 121.20 126.64 3kow s ILE 105 Ca 0.09 -0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 3kow s ILE 105 Cb -0.15 -3.21 0.01 0.00 -1.58 0.00 0.00 42.46 37.53 3kow s ILE 105 CO -0.22 0.43 -0.16 -0.32 -1.23 0.00 0.00 174.94 173.44 3kow s MET 106 N 0.60 3.13 -0.34 2.79 -2.45 -0.60 -2.02 119.30 120.41 3kow s MET 106 Ca 0.04 -0.77 -0.10 0.00 -1.25 0.00 0.00 55.69 53.61 3kow s MET 106 Cb -0.13 -2.65 0.01 0.00 1.25 0.00 0.00 34.83 33.32 3kow s MET 106 CO 0.01 -0.11 0.17 0.08 1.05 0.00 0.00 175.02 176.21 3kow s VAL 107 N 1.12 4.46 0.51 10.11 1.01 0.27 0.15 120.40 138.02 3kow s VAL 107 Ca 0.01 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 3kow s VAL 107 Cb -0.14 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 3kow s VAL 107 CO -0.06 -0.10 1.11 -0.63 0.00 0.00 0.00 175.10 175.42 3kow s ILE 108 N 1.56 3.36 0.61 2.22 1.01 -1.26 -4.33 121.20 124.37 3kow s ILE 108 Ca 0.03 0.88 -0.01 0.00 0.00 0.00 0.00 60.65 61.55 3kow s ILE 108 Cb -0.18 -3.38 0.06 0.00 0.01 0.00 0.00 42.46 38.97 3kow s ILE 108 CO 0.06 -0.15 0.86 -0.13 0.00 0.00 0.00 174.94 175.58 3kow s ARG 109 N -3.14 2.31 0.65 2.79 0.52 -1.26 -1.96 118.95 118.86 3kow s ARG 109 Ca 0.69 -0.76 -0.14 0.00 -0.52 0.00 0.00 55.73 55.00 3kow s ARG 109 Cb -0.22 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 3kow s ARG 109 CO 0.26 -0.95 1.08 -0.08 0.02 0.00 0.00 175.30 175.63 3kow s THR 110 N -2.92 3.58 -0.40 0.02 -1.32 -1.13 -3.92 115.64 109.54 3kow s THR 110 Ca 0.60 0.68 -0.39 0.00 -1.21 0.00 0.00 61.69 61.37 3kow s THR 110 Cb -0.09 -3.23 -0.15 0.00 -1.51 0.00 0.00 72.50 67.52 3kow s THR 110 CO 0.41 -0.51 2.11 0.00 -2.21 0.00 0.00 174.62 174.42 3kow n ALA 111 N -2.48 0.55 -3.19 11.08 0.00 0.47 -2.38 120.51 124.56 3kow n ALA 111 Ca 0.09 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 3kow n ALA 111 Cb 0.53 -2.32 0.07 0.00 0.00 0.00 0.00 19.45 17.73 3kow n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kow n GLY 112 N 6.61 -0.79 0.39 0.00 0.00 -1.26 -4.90 105.19 105.24 3kow n GLY 112 Ca 0.45 0.38 0.11 0.00 0.00 0.00 0.00 46.02 46.96 3kow n GLY 112 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kow n GLN 113 N -3.36 1.53 0.27 1.61 7.27 -1.00 -3.32 117.38 120.37 3kow n GLN 113 Ca -0.13 -0.78 0.14 0.00 0.07 0.00 0.00 57.00 56.30 3kow n GLN 113 Cb 0.63 -1.40 0.74 0.00 2.41 0.00 0.00 30.24 32.62 3kow n GLN 113 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 3kow h SER 114 N 1.66 0.00 -0.15 1.69 0.02 -1.87 -3.14 113.55 111.76 3kow h SER 114 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kow h SER 114 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3kow h SER 114 CO 0.00 0.10 0.00 1.41 -1.14 0.00 0.00 176.83 177.20 3kow n HIS 115 N -3.50 0.18 -2.48 3.45 8.25 -1.21 0.52 115.22 120.42 3kow n HIS 115 Ca -0.01 -0.10 -0.43 0.00 -0.26 0.00 0.00 57.72 56.92 3kow n HIS 115 Cb 0.25 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 3kow n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kow s TYR 116 N -1.68 2.82 -1.58 4.41 2.02 -1.19 -4.92 117.35 117.24 3kow s TYR 116 Ca 0.30 0.97 -0.09 0.00 -0.37 0.00 0.00 57.07 57.87 3kow s TYR 116 Cb 0.19 -3.81 -0.05 0.00 -0.40 0.00 0.00 41.96 37.89 3kow s TYR 116 CO 0.28 -1.48 2.86 -3.47 -1.57 0.00 0.00 175.55 172.17 3kow n ASP 117 N 7.31 8.59 0.00 2.29 2.03 -1.26 -3.96 116.55 131.56 3kow n ASP 117 Ca 0.14 -2.67 0.00 0.00 0.52 0.00 0.00 54.79 52.78 3kow n ASP 117 Cb 0.46 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 3kow n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kow n GLY 118 N 3.29 3.63 3.65 0.27 0.00 -1.26 -4.98 105.19 109.78 3kow n GLY 118 Ca 0.76 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 3kow n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kow n LEU 119 N 0.00 3.75 -4.38 0.99 4.77 -1.26 -4.96 117.00 115.90 3kow n LEU 119 Ca 0.00 0.57 -0.27 0.00 -0.03 0.00 0.00 56.01 56.28 3kow n LEU 119 Cb 0.00 -1.46 -0.12 0.00 -2.33 0.00 0.00 43.42 39.51 3kow n LEU 119 CO 0.00 -1.97 -0.54 0.27 -1.33 0.00 0.00 177.39 173.82 3kow s ILE 120 N -2.12 2.18 0.25 -0.08 -4.36 -1.26 -5.15 121.20 110.66 3kow s ILE 120 Ca 0.71 -1.87 0.12 0.00 -0.26 0.00 0.00 60.65 59.35 3kow s ILE 120 Cb -0.29 -1.98 -0.05 0.00 1.25 0.00 0.00 42.46 41.39 3kow s ILE 120 CO 0.53 -0.07 -0.20 -1.61 0.24 0.00 0.00 174.94 173.83 3kow s GLU 121 N -2.39 1.69 4.50 0.37 0.41 -1.26 -4.37 118.70 117.64 3kow s GLU 121 Ca 0.16 -1.66 0.00 0.00 -0.41 0.00 0.00 54.97 53.06 3kow s GLU 121 Cb -0.09 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.43 3kow s GLU 121 CO 0.07 0.36 0.00 0.41 -0.49 0.00 0.00 175.26 175.61 3kow n GLY 122 N -0.36 0.49 2.67 -1.39 0.00 -1.13 -4.50 105.19 100.96 3kow n GLY 122 Ca -0.07 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 3kow n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kow n THR 123 N 0.00 -0.23 -2.94 2.61 -2.24 -1.26 -4.27 114.28 105.95 3kow n THR 123 Ca 0.00 -1.66 -0.33 0.00 -2.27 0.00 0.00 64.05 59.79 3kow n THR 123 Cb 0.00 0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 3kow n THR 123 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kow s PRO 124 N 0.59 4.14 0.21 -0.78 0.05 -1.26 -3.33 135.00 134.61 3kow s PRO 124 Ca 0.31 0.94 -0.31 0.00 0.05 0.00 0.00 61.00 61.99 3kow s PRO 124 Cb 0.07 -2.28 -0.10 0.00 0.05 0.00 0.00 34.50 32.24 3kow s PRO 124 CO -0.12 0.04 1.51 -1.14 0.05 0.00 0.00 177.00 177.34 3kow s GLN 125 N -3.12 4.23 0.74 4.56 0.74 -1.26 -4.52 119.66 121.03 3kow s GLN 125 Ca 0.59 2.34 -0.06 0.00 0.05 0.00 0.00 55.36 58.28 3kow s GLN 125 Cb -0.09 -3.13 0.16 0.00 1.10 0.00 0.00 33.01 31.04 3kow s GLN 125 CO 0.15 -0.53 1.01 0.41 -0.55 0.00 0.00 175.29 175.78 3kow n GLY 126 N 3.02 -0.18 3.07 2.59 0.00 -1.24 -4.93 105.19 107.51 3kow n GLY 126 Ca 0.11 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 3kow n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kow s ILE 127 N -3.08 1.65 -1.44 -0.61 -1.09 -1.26 -4.77 121.20 110.59 3kow s ILE 127 Ca 0.63 -0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 58.26 3kow s ILE 127 Cb -0.03 -1.51 0.01 0.00 -1.58 0.00 0.00 42.46 39.35 3kow s ILE 127 CO 0.42 0.47 0.14 0.61 -1.23 0.00 0.00 174.94 175.36 3kow n GLY 128 N 4.40 -0.26 0.00 6.18 0.00 -1.26 -0.40 105.19 113.85 3kow n GLY 128 Ca -0.19 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3kow n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kow n GLY 129 N -2.45 3.76 3.81 -0.02 0.00 -1.25 -4.47 105.19 104.56 3kow n GLY 129 Ca -0.28 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 3kow n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kow s VAL 130 N -2.00 5.39 -0.06 1.61 1.01 -0.83 -3.74 120.40 121.78 3kow s VAL 130 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 3kow s VAL 130 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3kow s VAL 130 CO 0.00 0.53 1.45 -2.84 0.00 0.00 0.00 175.10 174.24 3kow s PRO 131 N -0.39 4.24 -0.39 2.72 0.02 -1.26 -2.86 135.00 137.07 3kow s PRO 131 Ca 0.14 1.97 -0.26 0.00 0.02 0.00 0.00 61.00 62.87 3kow s PRO 131 Cb -0.12 -3.76 0.02 0.00 0.02 0.00 0.00 34.50 30.66 3kow s PRO 131 CO 0.03 -0.70 0.95 0.42 -0.33 0.00 0.00 177.00 177.37 3kow s ILE 132 N 3.22 4.53 0.23 2.83 -1.09 -1.26 -4.87 121.20 124.79 3kow s ILE 132 Ca 0.65 1.13 0.01 0.00 -2.23 0.00 0.00 60.65 60.20 3kow s ILE 132 Cb -0.30 -4.38 -0.05 0.00 -1.58 0.00 0.00 42.46 36.16 3kow s ILE 132 CO 0.24 -0.63 0.09 0.42 -1.23 0.00 0.00 174.94 173.84 3kow s THR 133 N 3.62 0.40 0.22 2.92 -4.23 -1.26 -4.61 115.64 112.69 3kow s THR 133 Ca 0.39 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.86 3kow s THR 133 Cb -0.11 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.26 3kow s THR 133 CO 0.21 -0.07 1.66 -0.09 -0.54 0.00 0.00 174.62 175.80 3kow h ARG 134 N 2.50 0.85 0.47 3.99 2.43 -1.85 -1.38 114.38 121.39 3kow h ARG 134 Ca -0.37 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 58.48 3kow h ARG 134 Cb 1.24 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3kow h ARG 134 CO 0.59 0.92 -0.29 -0.22 -1.51 0.00 0.00 179.97 179.46 3kow h LYS 135 N 0.76 -0.69 -0.71 0.20 3.64 -1.79 -2.30 116.57 115.68 3kow h LYS 135 Ca 0.12 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.68 3kow h LYS 135 Cb 0.63 0.16 -0.13 0.00 -0.41 0.00 0.00 32.23 32.47 3kow h LYS 135 CO 0.04 -0.46 -0.31 0.37 -2.27 0.00 0.00 179.45 176.82 3kow h GLN 136 N -0.72 -0.09 -0.60 1.90 -0.00 -1.73 -0.70 115.11 113.17 3kow h GLN 136 Ca -0.06 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3kow h GLN 136 Cb 0.57 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.05 3kow h GLN 136 CO 0.06 -0.06 0.39 0.28 0.00 0.00 0.00 178.83 179.50 3kow h VAL 137 N -0.09 1.16 -0.36 2.39 2.07 -1.24 -0.84 116.25 119.34 3kow h VAL 137 Ca 0.29 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3kow h VAL 137 Cb 0.56 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3kow h VAL 137 CO -0.77 0.16 0.19 0.03 0.02 0.00 0.00 177.57 177.20 3kow h ARG 138 N 0.82 0.50 -0.34 1.57 3.08 -0.80 0.28 114.38 119.49 3kow h ARG 138 Ca 0.22 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.28 3kow h ARG 138 Cb -0.07 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 29.81 3kow h ARG 138 CO -0.05 0.42 -0.10 0.00 -1.07 0.00 0.00 179.97 179.18 3kow h ALA 139 N 1.05 0.20 -0.05 0.04 0.00 -0.50 0.16 119.26 120.17 3kow h ALA 139 Ca 0.13 0.13 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 3kow h ALA 139 Cb 0.07 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kow h ALA 139 CO -0.02 -0.48 -0.72 1.96 0.00 0.00 0.00 179.25 179.99 3kow h GLN 140 N -0.03 0.26 0.00 0.00 4.20 -1.08 -1.26 115.11 117.19 3kow h GLN 140 Ca 0.16 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3kow h GLN 140 Cb 0.28 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3kow h GLN 140 CO -0.36 0.87 -0.50 -0.09 -0.67 0.00 0.00 178.83 178.08 3kow h ARG 141 N 0.17 0.00 0.10 1.46 9.65 -0.44 -0.45 114.38 124.87 3kow h ARG 141 Ca -0.02 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3kow h ARG 141 Cb 1.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 3kow h ARG 141 CO 0.11 0.50 -0.05 -0.22 2.80 0.00 0.00 179.97 183.11 3kow h LYS 142 N 0.00 -0.12 -0.57 0.20 3.64 -0.41 -2.73 116.57 116.58 3kow h LYS 142 Ca -0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 3kow h LYS 142 Cb 1.00 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.74 3kow h LYS 142 CO 0.06 0.39 -0.13 0.00 -2.27 0.00 0.00 179.45 177.51 3kow h ALA 143 N -0.20 0.39 -0.01 5.00 0.00 -1.20 0.17 119.26 123.41 3kow h ALA 143 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kow h ALA 143 Cb 0.58 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kow h ALA 143 CO 0.02 -0.43 0.05 -0.07 0.00 0.00 0.00 179.25 178.83 3kow h LEU 144 N 0.01 0.00 0.00 0.00 3.38 -1.11 -0.62 115.31 116.97 3kow h LEU 144 Ca 0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 3kow h LEU 144 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kow h LEU 144 CO -0.57 0.00 -0.59 0.44 0.09 0.00 0.00 178.44 177.81 3kow h ASP 145 N 0.00 0.00 0.11 -0.43 3.32 -0.34 -1.09 116.42 117.98 3kow h ASP 145 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3kow h ASP 145 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kow h ASP 145 CO -0.00 0.43 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.83 3kow h LEU 146 N 0.00 -0.12 -0.93 1.55 3.38 -0.89 -3.16 115.31 115.14 3kow h LEU 146 Ca -0.03 -0.15 0.27 0.00 0.09 0.00 0.00 57.88 58.06 3kow h LEU 146 Cb 1.35 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.99 3kow h LEU 146 CO 0.05 0.43 0.40 0.40 0.09 0.00 0.00 178.44 179.80 3kow h ILE 147 N -1.02 0.34 0.00 1.22 2.04 -1.25 0.47 117.51 119.31 3kow h ILE 147 Ca -0.01 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3kow h ILE 147 Cb 0.27 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3kow h ILE 147 CO 0.02 0.05 -0.20 1.05 0.00 0.00 0.00 178.15 179.08 3kow h GLU 148 N 0.29 0.00 -0.02 2.37 4.11 -1.33 -2.41 114.58 117.59 3kow h GLU 148 Ca 0.63 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.85 3kow h GLU 148 Cb 1.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 3kow h GLU 148 CO -0.62 0.20 -0.87 1.49 0.07 0.00 0.00 179.01 179.28 3kow h GLU 149 N 0.00 0.38 -0.05 1.06 4.81 -0.11 -2.48 114.58 118.19 3kow h GLU 149 Ca -0.00 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 3kow h GLU 149 Cb 0.90 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 3kow h GLU 149 CO 0.03 1.05 -0.03 1.49 -0.73 0.00 0.00 179.01 180.82 3kow h GLU 150 N 0.23 0.11 0.00 1.92 4.81 -0.88 -3.21 114.58 117.57 3kow h GLU 150 Ca -0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3kow h GLU 150 Cb 1.49 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.87 3kow h GLU 150 CO 0.15 0.51 -0.04 1.33 -0.73 0.00 0.00 179.01 180.23 3kow n VAL 151 N -4.80 0.01 -2.54 0.32 0.24 -0.92 -4.37 118.33 106.27 3kow n VAL 151 Ca -0.07 -0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 3kow n VAL 151 Cb 0.25 -0.45 0.01 0.00 -1.47 0.00 0.00 33.84 32.19 3kow n VAL 151 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kow n GLY 152 N 1.50 0.38 3.56 7.63 0.00 -0.95 -2.40 105.19 114.91 3kow n GLY 152 Ca 0.07 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 3kow n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kow s ARG 153 N -4.96 0.69 0.21 1.61 3.52 -1.09 -4.51 118.95 114.42 3kow s ARG 153 Ca 0.10 1.04 -0.31 0.00 -0.13 0.00 0.00 55.73 56.43 3kow s ARG 153 Cb -0.04 0.22 -0.11 0.00 -1.56 0.00 0.00 34.95 33.45 3kow s ARG 153 CO 0.13 -0.13 1.63 -2.14 -0.81 0.00 0.00 175.30 173.98 3kow s PRO 154 N 1.06 4.17 -0.23 5.12 0.02 -1.26 -4.63 135.00 139.26 3kow s PRO 154 Ca -0.06 2.49 -0.05 0.00 0.02 0.00 0.00 61.00 63.41 3kow s PRO 154 Cb -0.05 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 3kow s PRO 154 CO -0.10 -0.66 -0.02 0.42 -0.33 0.00 0.00 177.00 176.31 3kow s ILE 155 N 0.94 3.58 -0.02 2.83 1.01 -1.26 -4.92 121.20 123.36 3kow s ILE 155 Ca 0.71 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 3kow s ILE 155 Cb -0.47 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 3kow s ILE 155 CO 0.34 0.41 1.15 0.20 0.00 0.00 0.00 174.94 177.04 3kow s ASN 156 N 1.49 7.13 0.11 3.58 0.01 -0.35 -4.92 114.94 121.99 3kow s ASN 156 Ca 0.06 1.81 -0.03 0.00 -0.71 0.00 0.00 52.86 53.99 3kow s ASN 156 Cb -0.14 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.90 3kow s ASN 156 CO -0.02 -0.49 0.31 -0.47 -1.51 0.00 0.00 177.10 174.93 3kow s TYR 157 N 1.73 3.49 -0.28 2.20 5.04 -1.26 -0.33 117.35 127.93 3kow s TYR 157 Ca 0.55 0.43 -0.20 0.00 -2.44 0.00 0.00 57.07 55.41 3kow s TYR 157 Cb -0.25 -1.91 0.11 0.00 0.35 0.00 0.00 41.96 40.27 3kow s TYR 157 CO 0.24 0.49 0.89 -1.58 -1.34 0.00 0.00 175.55 174.25 3kow s HIS 158 N -1.61 -0.69 0.00 4.97 5.65 -0.86 -1.33 115.29 121.42 3kow s HIS 158 Ca 0.39 1.50 0.00 0.00 0.25 0.00 0.00 55.06 57.19 3kow s HIS 158 Cb -0.12 0.41 0.00 0.00 -1.18 0.00 0.00 32.58 31.68 3kow s HIS 158 CO 0.26 -0.34 0.00 0.45 -0.65 0.00 0.00 174.74 174.46 3kow n SER 159 N 3.27 0.00 -4.58 9.88 2.88 -1.15 -0.57 113.62 123.35 3kow n SER 159 Ca -0.16 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.05 3kow n SER 159 Cb 0.57 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.92 3kow n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kow s TYR 160 N -2.36 2.90 -0.23 0.66 2.02 -1.26 -1.30 117.35 117.79 3kow s TYR 160 Ca 0.00 -0.02 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 3kow s TYR 160 Cb 0.00 -1.65 -0.15 0.00 -0.40 0.00 0.00 41.96 39.76 3kow s TYR 160 CO 0.00 0.35 -0.20 0.28 -1.57 0.00 0.00 175.55 174.40 3kow n VAL 161 N 1.88 1.30 -0.23 0.71 0.31 0.75 -4.89 118.33 118.16 3kow n VAL 161 Ca -0.17 -0.50 -0.07 0.00 -0.01 0.00 0.00 64.34 63.59 3kow n VAL 161 Cb 0.53 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 3kow n VAL 161 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kow n SER 162 N -3.17 -0.79 0.00 4.52 3.41 -1.24 -4.17 113.62 112.18 3kow n SER 162 Ca -0.40 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3kow n SER 162 Cb 0.93 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 3kow n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kow n GLY 163 N 0.51 0.58 0.18 5.00 0.00 -1.26 -4.60 105.19 105.60 3kow n GLY 163 Ca 0.01 -2.32 0.13 0.00 0.00 0.00 0.00 46.02 43.84 3kow n GLY 163 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kow h VAL 164 N 0.00 0.00 -0.79 1.61 -1.51 -0.17 -3.23 116.25 112.16 3kow h VAL 164 Ca 0.00 -0.65 -0.57 0.00 -1.23 0.00 0.00 66.70 64.25 3kow h VAL 164 Cb 0.00 1.61 -0.41 0.00 -2.13 0.00 0.00 31.29 30.36 3kow h VAL 164 CO 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 177.57 175.77 3kow n ALA 165 N -1.95 5.21 -0.33 5.19 0.00 -1.25 -4.85 120.51 122.53 3kow n ALA 165 Ca 0.04 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.73 3kow n ALA 165 Cb 0.42 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3kow n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kow n GLY 166 N -0.74 -3.15 0.46 0.00 0.00 -1.22 -1.29 105.19 99.26 3kow n GLY 166 Ca 0.47 0.50 0.28 0.00 0.00 0.00 0.00 46.02 47.26 3kow n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kow h PRO 167 N 0.00 0.06 -0.15 1.61 0.11 -1.89 0.55 132.00 132.30 3kow h PRO 167 Ca 0.00 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3kow h PRO 167 Cb 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 3kow h PRO 167 CO 0.00 0.04 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.34 3kow h ASP 168 N 0.06 0.29 0.90 -2.05 3.45 -1.82 -2.01 116.42 115.24 3kow h ASP 168 Ca 0.45 -0.38 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 3kow h ASP 168 Cb 1.72 -0.08 0.01 0.00 -0.56 0.00 0.00 39.33 40.41 3kow h ASP 168 CO -0.04 0.61 -0.43 0.40 -1.57 0.00 0.00 179.24 178.21 3kow h ILE 169 N -0.03 0.00 -1.25 0.35 2.04 0.14 -2.34 117.51 116.42 3kow h ILE 169 Ca 0.04 -0.02 0.43 0.00 1.00 0.00 0.00 64.86 66.30 3kow h ILE 169 Cb 0.49 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.42 3kow h ILE 169 CO 0.02 0.00 0.78 0.00 0.00 0.00 0.00 178.15 178.95 3kow h ALA 170 N -1.42 2.58 -0.08 1.87 0.00 -1.12 0.18 119.26 121.27 3kow h ALA 170 Ca -0.12 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kow h ALA 170 Cb 0.93 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kow h ALA 170 CO 0.20 -1.25 -0.01 0.28 0.00 0.00 0.00 179.25 178.47 3kow h VAL 171 N 0.08 1.28 -0.53 0.00 2.07 -0.89 -0.65 116.25 117.60 3kow h VAL 171 Ca 0.83 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3kow h VAL 171 Cb 2.48 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 33.94 3kow h VAL 171 CO -0.51 0.25 0.20 -0.03 0.02 0.00 0.00 177.57 177.50 3kow h MET 172 N -0.16 0.77 0.02 1.57 -1.53 -0.20 -2.14 114.93 113.26 3kow h MET 172 Ca 0.02 -0.12 -0.00 0.00 -3.44 0.00 0.00 59.70 56.16 3kow h MET 172 Cb 0.40 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.31 3kow h MET 172 CO 0.01 0.65 -0.01 0.74 0.14 0.00 0.00 176.91 178.43 3kow h PHE 173 N 0.76 -0.03 -0.28 1.39 -1.00 -0.98 -2.36 116.94 114.45 3kow h PHE 173 Ca 0.18 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.01 3kow h PHE 173 Cb 0.18 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 3kow h PHE 173 CO 0.01 0.18 0.19 0.00 -1.61 0.00 0.00 178.31 177.08 3kow h ALA 174 N 0.75 2.10 -0.18 2.45 0.00 -0.99 -2.57 119.26 120.81 3kow h ALA 174 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3kow h ALA 174 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kow h ALA 174 CO 0.00 -0.16 -0.34 0.93 0.00 0.00 0.00 179.25 179.69 3kow h GLU 175 N 0.13 0.54 -0.59 0.00 5.08 -1.19 -3.35 114.58 115.20 3kow h GLU 175 Ca 0.12 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3kow h GLU 175 Cb 0.33 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3kow h GLU 175 CO -0.02 0.96 0.00 0.39 -1.00 0.00 0.00 179.01 179.34 3kow n GLU 176 N -4.32 2.77 -2.53 2.33 -0.58 -0.90 -4.76 120.64 112.65 3kow n GLU 176 Ca -0.06 -2.07 -0.08 0.00 -0.42 0.00 0.00 57.16 54.53 3kow n GLU 176 Cb 0.50 -1.62 0.01 0.00 -0.57 0.00 0.00 31.44 29.76 3kow n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kow n GLY 177 N 1.08 0.24 3.78 0.62 0.00 -1.08 -4.65 105.19 105.18 3kow n GLY 177 Ca 0.19 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 3kow n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kow s VAL 178 N -2.75 3.45 -0.08 1.61 1.01 -1.09 -4.75 120.40 117.79 3kow s VAL 178 Ca 0.11 0.76 0.06 0.00 0.00 0.00 0.00 61.98 62.91 3kow s VAL 178 Cb -0.05 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 3kow s VAL 178 CO 0.13 -0.34 0.01 0.59 0.00 0.00 0.00 175.10 175.50 3kow n ASN 179 N -1.85 3.07 -4.05 3.32 4.13 -0.44 -4.41 115.26 115.03 3kow n ASN 179 Ca 0.10 -0.01 -0.11 0.00 1.68 0.00 0.00 54.58 56.25 3kow n ASN 179 Cb 0.52 0.55 -0.11 0.00 -1.54 0.00 0.00 39.78 39.20 3kow n ASN 179 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kow s GLY 180 N -4.15 0.44 -0.09 7.41 0.00 -0.84 -0.56 107.32 109.54 3kow s GLY 180 Ca -0.06 -0.83 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 3kow s GLY 180 CO 0.31 -0.90 0.23 0.00 0.00 0.00 0.00 173.10 172.74 3kow s ALA 181 N -1.99 -0.57 0.13 3.20 0.00 0.41 -2.93 121.76 120.01 3kow s ALA 181 Ca -0.07 0.66 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 3kow s ALA 181 Cb -0.06 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.58 3kow s ALA 181 CO -0.02 -0.11 1.58 -1.01 0.00 0.00 0.00 175.76 176.20 3kow s HIS 182 N 0.15 2.87 -0.22 0.00 3.76 -0.42 -2.33 115.29 119.11 3kow s HIS 182 Ca -0.00 0.56 -0.04 0.00 -0.15 0.00 0.00 55.06 55.42 3kow s HIS 182 Cb -0.02 -3.91 0.11 0.00 1.11 0.00 0.00 32.58 29.87 3kow s HIS 182 CO 0.00 -3.46 0.38 -1.14 -0.85 0.00 0.00 174.74 169.67 3kow s GLN 183 N 1.64 0.32 -0.27 1.40 -0.44 -0.91 -0.18 119.66 121.23 3kow s GLN 183 Ca 0.71 0.74 -0.00 0.00 -2.50 0.00 0.00 55.36 54.30 3kow s GLN 183 Cb -0.42 -0.14 0.15 0.00 -1.64 0.00 0.00 33.01 30.96 3kow s GLN 183 CO 0.31 -0.46 0.39 0.34 0.50 0.00 0.00 175.29 176.37 3kow s ASP 184 N 2.56 0.40 0.24 6.67 -1.08 -1.26 -4.47 116.67 119.73 3kow s ASP 184 Ca 0.06 -0.14 -0.05 0.00 -0.52 0.00 0.00 52.55 51.91 3kow s ASP 184 Cb -0.14 1.08 0.46 0.00 -1.46 0.00 0.00 42.92 42.86 3kow s ASP 184 CO -0.14 -0.33 1.70 1.55 0.52 0.00 0.00 175.17 178.47 3kow h PRO 185 N 8.18 0.32 -1.01 4.34 0.13 -1.99 -0.18 132.00 141.78 3kow h PRO 185 Ca -0.14 -0.02 0.24 0.00 -0.87 0.00 0.00 66.00 65.22 3kow h PRO 185 Cb 1.13 -0.07 -0.12 0.00 0.13 0.00 0.00 31.00 32.07 3kow h PRO 185 CO 0.27 0.21 0.61 1.96 -0.23 0.00 0.00 178.00 180.83 3kow h GLN 186 N 0.33 0.55 0.15 0.86 4.20 -1.96 0.47 115.11 119.71 3kow h GLN 186 Ca 0.41 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.09 3kow h GLN 186 Cb 0.68 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3kow h GLN 186 CO -0.47 0.36 -0.16 -0.92 -0.67 0.00 0.00 178.83 176.97 3kow h TYR 187 N 0.56 -0.42 -0.88 2.96 3.20 -1.41 -1.20 116.97 119.78 3kow h TYR 187 Ca 0.63 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.67 3kow h TYR 187 Cb 1.25 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.62 3kow h TYR 187 CO -0.01 -0.25 0.57 -0.91 -1.64 0.00 0.00 178.16 175.93 3kow h ASN 188 N -0.35 0.54 0.03 -2.11 2.35 -0.89 -1.85 115.58 113.30 3kow h ASN 188 Ca 0.01 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3kow h ASN 188 Cb 0.34 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3kow h ASN 188 CO -0.05 0.25 -0.01 0.58 -1.65 0.00 0.00 177.43 176.55 3kow h VAL 189 N 0.56 0.00 -0.05 2.81 2.07 -0.96 0.53 116.25 121.20 3kow h VAL 189 Ca 0.45 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.92 3kow h VAL 189 Cb 0.91 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kow h VAL 189 CO -0.20 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.27 3kow h LEU 190 N -0.11 -0.18 0.00 2.57 3.38 -1.29 -2.39 115.31 117.30 3kow h LEU 190 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kow h LEU 190 Cb 0.03 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kow h LEU 190 CO 0.01 -0.08 -1.31 -1.22 0.09 0.00 0.00 178.44 175.92 3kow n TYR 191 N -5.18 0.35 -0.07 1.13 4.01 -0.70 -4.31 117.16 112.38 3kow n TYR 191 Ca -0.05 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3kow n TYR 191 Cb 0.11 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 3kow n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kow n ARG 192 N -2.20 2.62 -3.55 -0.72 5.12 -1.20 -5.04 116.66 111.68 3kow n ARG 192 Ca -0.00 -0.21 -0.20 0.00 -1.93 0.00 0.00 57.85 55.51 3kow n ARG 192 Cb 0.50 -0.67 0.07 0.00 -1.16 0.00 0.00 32.46 31.20 3kow n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kow n ASN 193 N -0.43 -3.12 -4.56 0.55 5.15 -0.89 -4.84 115.26 107.12 3kow n ASN 193 Ca 0.00 -0.65 -0.40 0.00 -0.60 0.00 0.00 54.58 52.94 3kow n ASN 193 Cb 0.02 -4.83 -0.10 0.00 -0.53 0.00 0.00 39.78 34.33 3kow n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kow s ILE 194 N -3.40 5.24 -0.03 -1.44 1.01 0.13 -0.26 121.20 122.45 3kow s ILE 194 Ca 0.19 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.87 3kow s ILE 194 Cb -0.09 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3kow s ILE 194 CO 0.75 0.05 0.12 -3.20 0.00 0.00 0.00 174.94 172.66 3kow n ASN 195 N 5.21 0.07 0.24 3.58 2.85 0.46 -4.17 115.26 123.50 3kow n ASN 195 Ca -0.11 0.10 0.09 0.00 -0.11 0.00 0.00 54.58 54.55 3kow n ASN 195 Cb 0.50 -0.08 0.60 0.00 1.24 0.00 0.00 39.78 42.05 3kow n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kow h MET 196 N 0.36 0.00 0.09 1.20 -0.00 -1.81 -0.40 114.93 114.38 3kow h MET 196 Ca -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.49 3kow h MET 196 Cb 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.74 3kow h MET 196 CO 0.07 0.18 -0.72 0.82 -0.00 0.00 0.00 176.91 177.27 3kow h ILE 197 N 0.00 1.50 -0.38 -0.10 2.04 -1.86 -3.05 117.51 115.66 3kow h ILE 197 Ca -0.00 -2.39 0.06 0.00 1.00 0.00 0.00 64.86 63.53 3kow h ILE 197 Cb 0.41 3.03 -0.05 0.00 -0.74 0.00 0.00 36.82 39.47 3kow h ILE 197 CO 0.02 0.68 0.07 -0.09 0.00 0.00 0.00 178.15 178.83 3kow h ARG 198 N -0.32 0.18 -0.83 2.37 9.65 -1.84 -2.92 114.38 120.68 3kow h ARG 198 Ca -0.12 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.84 3kow h ARG 198 Cb 1.51 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.98 3kow h ARG 198 CO 0.14 0.12 0.49 1.03 2.80 0.00 0.00 179.97 184.54 3kow h SER 199 N 0.19 0.72 1.03 -3.80 0.87 -1.10 -0.95 113.55 110.51 3kow h SER 199 Ca 0.18 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 3kow h SER 199 Cb 0.22 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3kow h SER 199 CO -0.25 0.43 -1.03 -0.26 -0.53 0.00 0.00 176.83 175.19 3kow h PHE 200 N 0.84 0.00 -0.02 2.24 -1.00 -1.43 -2.36 116.94 115.20 3kow h PHE 200 Ca 0.39 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.97 3kow h PHE 200 Cb 0.31 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 3kow h PHE 200 CO -0.05 0.51 -0.83 0.82 -1.61 0.00 0.00 178.31 177.15 3kow h ILE 201 N 0.00 1.43 -0.43 -0.55 2.04 -1.31 -2.93 117.51 115.76 3kow h ILE 201 Ca -0.09 -2.39 -0.01 0.00 1.00 0.00 0.00 64.86 63.37 3kow h ILE 201 Cb 1.47 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.85 3kow h ILE 201 CO 0.05 0.71 0.22 0.44 0.00 0.00 0.00 178.15 179.57 3kow h ASP 202 N 0.19 0.54 -0.23 1.72 3.32 -1.15 -3.25 116.42 117.55 3kow h ASP 202 Ca -0.05 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.92 3kow h ASP 202 Cb 1.43 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 3kow h ASP 202 CO 0.13 0.49 0.08 0.00 -1.72 0.00 0.00 179.24 178.22 3kow h ALA 203 N 1.07 0.26 -0.98 3.45 0.00 -1.38 -1.59 119.26 120.10 3kow h ALA 203 Ca 0.15 0.03 0.33 0.00 0.00 0.00 0.00 54.91 55.41 3kow h ALA 203 Cb 0.08 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.72 3kow h ALA 203 CO -0.02 -0.34 0.47 0.00 0.00 0.00 0.00 179.25 179.36 3kow h GLU 205 N 0.21 0.13 -0.05 0.00 4.57 -1.49 -3.03 114.58 114.92 3kow h GLU 205 Ca 0.72 -0.22 0.04 0.00 -1.18 0.00 0.00 59.36 58.72 3kow h GLU 205 Cb 1.68 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 30.30 3kow h GLU 205 CO -0.68 1.11 -0.38 0.77 -1.18 0.00 0.00 179.01 178.65 3kow h SER 206 N -0.73 -1.17 0.14 1.04 0.02 -0.34 -1.04 113.55 111.47 3kow h SER 206 Ca -0.07 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3kow h SER 206 Cb 1.29 0.47 -0.00 0.00 0.14 0.00 0.00 62.40 64.30 3kow h SER 206 CO 0.06 -0.42 -0.04 0.11 -1.14 0.00 0.00 176.83 175.40 3kow h LYS 207 N -0.51 0.00 0.05 3.45 1.57 -0.56 -1.30 116.57 119.28 3kow h LYS 207 Ca 0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 3kow h LYS 207 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.93 3kow h LYS 207 CO -0.33 0.04 -1.07 1.15 -0.57 0.00 0.00 179.45 178.68 3kow h THR 208 N 0.00 1.41 -0.12 -0.16 2.02 -1.12 -1.51 112.91 113.43 3kow h THR 208 Ca -0.00 -2.61 -0.08 0.00 0.77 0.00 0.00 66.41 64.49 3kow h THR 208 Cb 0.12 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 3kow h THR 208 CO 0.01 0.78 -0.30 0.40 0.37 0.00 0.00 175.52 176.77 3kow h ILE 209 N 0.20 1.26 -0.07 3.11 5.03 -0.15 -2.59 117.51 124.29 3kow h ILE 209 Ca -0.11 -1.23 -0.19 0.00 -0.12 0.00 0.00 64.86 63.21 3kow h ILE 209 Cb 1.73 1.50 -0.00 0.00 -3.03 0.00 0.00 36.82 37.02 3kow h ILE 209 CO 0.19 0.37 -0.75 0.24 -0.68 0.00 0.00 178.15 177.52 3kow h MET 210 N 0.21 0.42 -0.16 2.37 2.86 -1.25 -2.79 114.93 116.59 3kow h MET 210 Ca 0.03 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 3kow h MET 210 Cb 0.64 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3kow h MET 210 CO 0.05 1.00 -0.13 0.00 1.06 0.00 0.00 176.91 178.89 3kow h ALA 211 N 0.90 1.50 -0.27 6.32 0.00 -1.14 -2.06 119.26 124.51 3kow h ALA 211 Ca -0.04 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 3kow h ALA 211 Cb 1.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3kow h ALA 211 CO 0.13 0.36 -0.43 2.35 0.00 0.00 0.00 179.25 181.66 3kow h TRP 212 N 0.24 0.80 -0.23 0.00 7.01 -1.23 -3.04 115.95 119.49 3kow h TRP 212 Ca 0.05 -0.24 0.00 0.00 2.11 0.00 0.00 58.89 60.81 3kow h TRP 212 Cb 0.37 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 3kow h TRP 212 CO 0.01 0.98 0.00 0.00 -2.79 0.00 0.00 178.44 176.63 3kow n ALA 213 N -2.52 2.58 -4.30 2.65 0.00 -1.07 -4.90 120.51 112.95 3kow n ALA 213 Ca -0.02 -0.47 -0.35 0.00 0.00 0.00 0.00 53.44 52.60 3kow n ALA 213 Cb 0.54 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 3kow n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kow n ASP 214 N 0.21 -1.46 -4.89 0.00 2.03 -1.15 -4.01 116.55 107.27 3kow n ASP 214 Ca 0.08 -1.14 -0.29 0.00 0.52 0.00 0.00 54.79 53.96 3kow n ASP 214 Cb 0.29 -2.20 0.02 0.00 -0.72 0.00 0.00 41.12 38.50 3kow n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3kow s MET 215 N -7.07 3.30 -0.08 -0.67 -1.94 -0.80 -2.47 119.30 109.58 3kow s MET 215 Ca 0.49 0.43 -0.07 0.00 -1.71 0.00 0.00 55.69 54.83 3kow s MET 215 Cb -0.28 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 3kow s MET 215 CO 0.97 -0.62 0.19 0.00 -0.01 0.00 0.00 175.02 175.56 3kow s ALA 216 N -3.09 3.86 -0.04 3.03 0.00 0.28 -4.83 121.76 120.97 3kow s ALA 216 Ca 0.54 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.94 3kow s ALA 216 Cb -0.11 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 3kow s ALA 216 CO 0.50 0.62 -0.15 -1.14 0.00 0.00 0.00 175.76 175.59 3kow s GLN 217 N -1.24 2.45 -0.09 0.00 0.74 0.00 -0.44 119.66 121.09 3kow s GLN 217 Ca 0.19 -0.73 0.03 0.00 0.05 0.00 0.00 55.36 54.90 3kow s GLN 217 Cb -0.13 -2.35 0.01 0.00 1.10 0.00 0.00 33.01 31.64 3kow s GLN 217 CO 0.08 0.62 -0.16 0.42 -0.55 0.00 0.00 175.29 175.69 3kow s ILE 218 N -0.74 1.50 0.55 -2.34 1.01 -0.98 -0.47 121.20 119.72 3kow s ILE 218 Ca 0.12 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 3kow s ILE 218 Cb -0.11 -1.34 0.13 0.00 0.01 0.00 0.00 42.46 41.16 3kow s ILE 218 CO 0.01 0.44 0.58 -0.90 0.00 0.00 0.00 174.94 175.07 3kow n ASP 219 N 3.81 -0.90 -0.55 3.58 5.68 -1.03 -2.13 116.55 125.02 3kow n ASP 219 Ca -0.21 -0.99 0.08 0.00 -0.50 0.00 0.00 54.79 53.17 3kow n ASP 219 Cb 0.52 -0.49 0.19 0.00 -1.14 0.00 0.00 41.12 40.20 3kow n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kow n GLY 223 N -0.33 4.01 0.29 6.12 0.00 -1.26 -4.62 105.19 109.40 3kow n GLY 223 Ca 0.08 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.27 3kow n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow h ALA 224 N 1.17 1.15 0.00 4.61 0.00 -1.95 0.17 119.26 124.41 3kow h ALA 224 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kow h ALA 224 Cb 1.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kow h ALA 224 CO 0.11 -0.18 0.13 -2.39 0.00 0.00 0.00 179.25 176.91 3kow n HIS 225 N -4.97 0.00 0.12 0.00 1.44 -1.22 -0.22 115.22 110.37 3kow n HIS 225 Ca 0.16 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.88 3kow n HIS 225 Cb 0.44 -0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.41 3kow n HIS 225 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3kow h ASN 226 N 0.00 0.00 1.03 4.39 2.35 -1.03 -3.33 115.58 118.99 3kow h ASN 226 Ca 0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 3kow h ASN 226 Cb 0.26 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3kow h ASN 226 CO 0.00 0.53 -0.51 0.00 -1.65 0.00 0.00 177.43 175.80 3kow h ALA 227 N 1.47 0.82 0.30 -0.83 0.00 -0.78 -2.93 119.26 117.31 3kow h ALA 227 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3kow h ALA 227 Cb 1.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3kow h ALA 227 CO 0.06 0.64 -0.28 -0.91 0.00 0.00 0.00 179.25 178.76 3kow h ASN 228 N 0.00 -0.76 -0.97 0.00 4.21 -1.70 -1.50 115.58 114.84 3kow h ASN 228 Ca -0.01 0.06 0.28 0.00 1.21 0.00 0.00 56.30 57.85 3kow h ASN 228 Cb 1.16 0.25 -0.18 0.00 -1.12 0.00 0.00 38.32 38.43 3kow h ASN 228 CO 0.07 -0.38 0.11 0.00 -1.29 0.00 0.00 177.43 175.94 3kow h ALA 229 N -1.31 1.29 0.00 -0.83 0.00 -1.67 -0.83 119.26 115.92 3kow h ALA 229 Ca -0.04 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kow h ALA 229 Cb 0.49 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kow h ALA 229 CO -0.03 -0.61 -0.57 0.25 0.00 0.00 0.00 179.25 178.30 3kow n THR 230 N -5.43 0.21 -2.32 0.00 -2.24 -1.11 -4.88 114.28 98.51 3kow n THR 230 Ca 0.25 -0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.50 3kow n THR 230 Cb 0.81 -0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 3kow n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kow s ALA 231 N -3.10 2.89 0.23 6.98 0.00 -0.32 -4.93 121.76 123.51 3kow s ALA 231 Ca 0.08 0.84 0.04 0.00 0.00 0.00 0.00 51.96 52.93 3kow s ALA 231 Cb 0.15 -3.35 0.21 0.00 0.00 0.00 0.00 23.12 20.13 3kow s ALA 231 CO 0.71 -0.61 1.53 0.00 0.00 0.00 0.00 175.76 177.39 3kow h ARG 232 N 1.80 0.22 -2.66 0.00 2.47 -1.89 -3.41 114.38 110.91 3kow h ARG 232 Ca -0.49 -0.16 -0.49 0.00 -1.26 0.00 0.00 59.98 57.57 3kow h ARG 232 Cb 1.25 0.03 -0.39 0.00 -1.65 0.00 0.00 29.97 29.21 3kow h ARG 232 CO 0.59 0.79 -0.75 -1.21 0.56 0.00 0.00 179.97 179.95 3kow s GLU 233 N -3.65 0.23 0.33 0.04 2.02 -1.26 -5.04 118.70 111.37 3kow s GLU 233 Ca -0.04 -0.48 0.10 0.00 0.02 0.00 0.00 54.97 54.58 3kow s GLU 233 Cb 0.12 -1.07 1.01 0.00 0.10 0.00 0.00 34.13 34.29 3kow s GLU 233 CO 0.80 -1.03 1.58 0.00 0.02 0.00 0.00 175.26 176.63 3kow h ALA 234 N 8.34 1.61 0.00 5.21 0.00 -1.84 -1.12 119.26 131.47 3kow h ALA 234 Ca -0.18 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kow h ALA 234 Cb 1.02 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 3kow h ALA 234 CO 0.41 -0.73 -0.06 0.11 0.00 0.00 0.00 179.25 178.98 3kow h TRP 235 N 0.02 0.00 0.00 0.00 0.09 -1.96 -3.02 115.95 111.08 3kow h TRP 235 Ca 0.71 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 59.64 3kow h TRP 235 Cb 1.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.90 3kow h TRP 235 CO -0.28 0.06 -0.62 0.87 0.09 0.00 0.00 178.44 178.57 3kow h LYS 236 N 0.00 0.00 -0.17 0.12 1.57 -1.57 -3.38 116.57 113.14 3kow h LYS 236 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kow h LYS 236 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3kow h LYS 236 CO 0.01 0.17 0.00 1.55 -0.57 0.00 0.00 179.45 180.60 3kow n VAL 237 N -2.98 0.23 0.23 0.50 3.14 -1.14 -4.41 118.33 113.90 3kow n VAL 237 Ca 0.00 -0.27 0.07 0.00 -2.96 0.00 0.00 64.34 61.18 3kow n VAL 237 Cb 0.63 0.15 0.59 0.00 -1.06 0.00 0.00 33.84 34.16 3kow n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3kow h MET 238 N 1.42 0.05 -0.54 1.45 2.86 -1.77 -1.27 114.93 117.13 3kow h MET 238 Ca 0.00 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 3kow h MET 238 Cb 0.32 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3kow h MET 238 CO 0.00 0.07 -0.09 -1.35 1.06 0.00 0.00 176.91 176.60 3kow h PRO 239 N 0.05 0.99 -0.40 -0.22 0.11 -1.88 -2.51 132.00 128.14 3kow h PRO 239 Ca 0.01 -0.35 -0.14 0.00 0.11 0.00 0.00 66.00 65.63 3kow h PRO 239 Cb 0.06 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3kow h PRO 239 CO 0.00 1.03 -0.29 1.49 -0.21 0.00 0.00 178.00 180.02 3kow h GLU 240 N 0.89 0.91 -0.73 1.05 4.81 -1.80 -3.04 114.58 116.66 3kow h GLU 240 Ca 0.14 -0.44 0.14 0.00 -0.13 0.00 0.00 59.36 59.07 3kow h GLU 240 Cb 0.64 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.92 3kow h GLU 240 CO 0.04 1.09 0.27 -0.07 -0.73 0.00 0.00 179.01 179.61 3kow h LEU 241 N 0.73 0.22 -0.79 1.64 3.38 -1.14 -0.96 115.31 118.39 3kow h LEU 241 Ca 0.08 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3kow h LEU 241 Cb 0.88 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3kow h LEU 241 CO 0.08 0.08 -0.27 0.24 0.09 0.00 0.00 178.44 178.66 3kow h MET 242 N 0.40 0.00 -0.23 1.13 2.86 -1.45 -2.66 114.93 114.98 3kow h MET 242 Ca 0.40 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.84 3kow h MET 242 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3kow h MET 242 CO -0.41 0.27 -0.62 0.28 1.06 0.00 0.00 176.91 177.48 3kow h VAL 243 N 0.00 1.28 0.86 -2.22 2.07 -1.16 -2.43 116.25 114.65 3kow h VAL 243 Ca -0.00 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 3kow h VAL 243 Cb 0.90 1.78 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 3kow h VAL 243 CO 0.03 0.58 -0.42 1.56 0.02 0.00 0.00 177.57 179.35 3kow h GLN 244 N 0.59 -1.12 -0.99 1.57 4.20 -1.01 -1.50 115.11 116.85 3kow h GLN 244 Ca -0.01 0.08 0.17 0.00 0.06 0.00 0.00 58.65 58.95 3kow h GLN 244 Cb 1.24 0.25 -0.17 0.00 0.30 0.00 0.00 27.48 29.10 3kow h GLN 244 CO 0.13 -0.75 -0.33 0.72 -0.67 0.00 0.00 178.83 177.94 3kow n HIS 245 N -5.39 0.17 -0.22 2.96 8.25 -1.02 -1.65 115.22 118.32 3kow n HIS 245 Ca -0.14 1.22 -0.04 0.00 -0.26 0.00 0.00 57.72 58.49 3kow n HIS 245 Cb 0.46 -0.96 0.06 0.00 1.12 0.00 0.00 29.99 30.67 3kow n HIS 245 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kow h ALA 246 N 1.64 0.81 -0.44 -1.41 0.00 -1.25 0.38 119.26 118.99 3kow h ALA 246 Ca 0.40 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 3kow h ALA 246 Cb 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kow h ALA 246 CO -1.00 0.15 -0.09 -0.07 0.00 0.00 0.00 179.25 178.23 3kow h LEU 247 N 0.78 0.85 -0.22 0.00 3.38 -0.32 -0.95 115.31 118.82 3kow h LEU 247 Ca 0.25 -0.36 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 3kow h LEU 247 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3kow h LEU 247 CO -0.09 1.01 -0.51 -1.13 0.09 0.00 0.00 178.44 177.81 3kow h ASN 248 N 0.68 0.83 0.30 -0.43 -1.24 -1.13 -1.21 115.58 113.39 3kow h ASN 248 Ca 0.11 -0.56 -0.01 0.00 0.71 0.00 0.00 56.30 56.56 3kow h ASN 248 Cb 0.63 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 3kow h ASN 248 CO 0.04 1.24 -0.37 0.28 -1.29 0.00 0.00 177.43 177.33 3kow h SER 249 N 0.46 -1.04 -0.68 1.15 0.02 -0.12 -0.15 113.55 113.18 3kow h SER 249 Ca -0.00 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3kow h SER 249 Cb 1.12 0.35 -0.04 0.00 0.14 0.00 0.00 62.40 63.97 3kow h SER 249 CO 0.11 -0.47 0.45 -0.29 -1.14 0.00 0.00 176.83 175.49 3kow h ILE 250 N -0.69 1.02 -0.32 3.27 6.09 -1.24 -0.85 117.51 124.79 3kow h ILE 250 Ca -0.04 -0.24 -0.03 0.00 -1.37 0.00 0.00 64.86 63.18 3kow h ILE 250 Cb 0.62 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.15 3kow h ILE 250 CO -0.08 0.13 0.08 0.15 -3.07 0.00 0.00 178.15 175.35 3kow h PHE 251 N 0.71 0.54 -0.11 2.19 3.57 -0.97 -1.90 116.94 120.97 3kow h PHE 251 Ca 0.29 -0.07 -0.15 0.00 3.53 0.00 0.00 57.97 61.58 3kow h PHE 251 Cb 0.24 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3kow h PHE 251 CO -0.00 0.57 -0.58 0.77 -2.23 0.00 0.00 178.31 176.84 3kow h SER 252 N 0.36 0.38 -0.13 0.41 0.02 -0.23 -2.52 113.55 111.83 3kow h SER 252 Ca 0.10 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3kow h SER 252 Cb 0.30 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3kow h SER 252 CO 0.00 0.88 0.05 0.25 -1.14 0.00 0.00 176.83 176.87 3kow h LEU 253 N 0.26 0.18 -1.73 5.07 5.85 -1.10 -2.37 115.31 121.47 3kow h LEU 253 Ca -0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3kow h LEU 253 Cb 1.09 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3kow h LEU 253 CO 0.10 0.30 0.00 0.11 -0.34 0.00 0.00 178.44 178.60 3kow h LYS 254 N 0.06 0.00 -0.00 1.25 1.79 -1.18 -1.66 116.57 116.83 3kow h LYS 254 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3kow h LYS 254 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3kow h LYS 254 CO -0.00 0.00 -0.19 0.28 -1.08 0.00 0.00 179.45 178.45 3kow n VAL 255 N -2.96 0.00 0.00 0.50 0.31 -0.96 -4.94 118.33 110.28 3kow n VAL 255 Ca -0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3kow n VAL 255 Cb 0.23 0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3kow n VAL 255 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kow n GLY 256 N 1.34 0.85 3.77 2.92 0.00 -0.62 -4.79 105.19 108.65 3kow n GLY 256 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3kow n GLY 256 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kow s MET 257 N -0.39 3.43 -0.03 1.61 -1.94 -0.92 -4.99 119.30 116.08 3kow s MET 257 Ca 0.00 1.68 -0.29 0.00 -1.71 0.00 0.00 55.69 55.37 3kow s MET 257 Cb 0.00 -2.10 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 3kow s MET 257 CO 0.00 -0.80 0.95 0.15 -0.01 0.00 0.00 175.02 175.31 3kow s LYS 258 N -3.13 4.52 0.50 2.03 1.02 -1.26 -4.59 119.74 118.83 3kow s LYS 258 Ca 0.71 1.34 0.33 0.00 0.02 0.00 0.00 55.97 58.37 3kow s LYS 258 Cb -0.26 -3.48 1.45 0.00 -0.52 0.00 0.00 37.83 35.03 3kow s LYS 258 CO 0.30 -0.09 1.78 -0.22 -0.92 0.00 0.00 175.35 176.19 3kow h LYS 259 N 6.86 0.09 -0.58 1.68 3.64 -1.94 1.34 116.57 127.66 3kow h LYS 259 Ca -0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3kow h LYS 259 Cb 1.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3kow h LYS 259 CO 0.77 0.06 0.00 -1.13 -2.27 0.00 0.00 179.45 176.88 3kow n SER 260 N -4.30 2.37 -0.01 4.20 3.41 -1.26 -2.91 113.62 115.12 3kow n SER 260 Ca 0.27 -2.21 0.01 0.00 -0.26 0.00 0.00 58.87 56.68 3kow n SER 260 Cb 1.21 -0.40 -0.00 0.00 -0.26 0.00 0.00 64.21 64.75 3kow n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kow n ASN 261 N 0.34 0.30 -4.67 4.04 3.02 0.46 -4.83 115.26 113.91 3kow n ASN 261 Ca 0.11 -0.65 -0.40 0.00 -0.03 0.00 0.00 54.58 53.61 3kow n ASN 261 Cb 0.47 0.78 -0.06 0.00 -0.61 0.00 0.00 39.78 40.36 3kow n ASN 261 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kow s ILE 262 N -0.92 5.03 -0.18 2.41 1.01 -1.15 -0.82 121.20 126.59 3kow s ILE 262 Ca 0.01 1.19 0.01 0.00 0.00 0.00 0.00 60.65 61.86 3kow s ILE 262 Cb 0.01 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.56 3kow s ILE 262 CO 0.05 0.13 -0.19 0.00 0.00 0.00 0.00 174.94 174.94 3kow s LEU 264 N 1.32 4.10 -0.50 0.00 1.02 0.05 -2.45 118.68 122.22 3kow s LEU 264 Ca 0.05 0.59 -0.27 0.00 0.02 0.00 0.00 54.13 54.52 3kow s LEU 264 Cb -0.13 -3.03 0.03 0.00 0.02 0.00 0.00 46.19 43.08 3kow s LEU 264 CO -0.12 -0.60 1.03 -0.55 0.02 0.00 0.00 176.35 176.12 3kow s SER 265 N 1.64 6.49 -0.28 2.29 0.15 -1.26 -0.01 113.70 122.73 3kow s SER 265 Ca 0.31 0.11 0.01 0.00 0.70 0.00 0.00 55.95 57.08 3kow s SER 265 Cb -0.14 -2.49 0.06 0.00 -1.71 0.00 0.00 66.02 61.73 3kow s SER 265 CO 0.13 -1.22 -0.06 0.28 1.20 0.00 0.00 173.24 173.57 3kow s THR 266 N 4.19 2.53 -0.11 6.45 -1.32 0.20 -3.46 115.64 124.13 3kow s THR 266 Ca 0.40 -1.54 -0.14 0.00 -1.21 0.00 0.00 61.69 59.20 3kow s THR 266 Cb -0.09 -2.48 -0.05 0.00 -1.51 0.00 0.00 72.50 68.37 3kow s THR 266 CO 0.26 -0.07 0.32 -0.69 -2.21 0.00 0.00 174.62 172.23 3kow s VAL 267 N 1.16 5.25 -0.26 5.08 1.01 -1.26 -1.80 120.40 129.59 3kow s VAL 267 Ca -0.07 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 3kow s VAL 267 Cb -0.20 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3kow s VAL 267 CO -0.03 0.46 1.82 -2.84 0.00 0.00 0.00 175.10 174.50 3kow s PRO 268 N -0.09 3.49 0.25 2.72 0.02 -1.26 -4.93 135.00 135.20 3kow s PRO 268 Ca 0.19 1.66 -0.08 0.00 0.02 0.00 0.00 61.00 62.78 3kow s PRO 268 Cb -0.14 -4.17 0.41 0.00 0.02 0.00 0.00 34.50 30.62 3kow s PRO 268 CO 0.07 -1.67 1.60 -1.35 -0.33 0.00 0.00 177.00 175.32 3kow h PRO 269 N 12.41 0.03 0.00 5.54 0.11 -1.92 -3.44 132.00 144.73 3kow h PRO 269 Ca -0.36 -0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.34 3kow h PRO 269 Cb 1.18 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3kow h PRO 269 CO 1.01 0.02 -0.20 0.25 -0.21 0.00 0.00 178.00 178.86 3kow n THR 270 N -5.48 0.00 -3.96 -1.15 -2.24 -1.26 -4.67 114.28 95.52 3kow n THR 270 Ca 0.13 -1.55 -0.10 0.00 -2.27 0.00 0.00 64.05 60.27 3kow n THR 270 Cb 0.47 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.48 3kow n THR 270 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kow s ALA 271 N -2.56 0.00 0.60 6.98 0.00 -1.26 -4.91 121.76 120.60 3kow s ALA 271 Ca 0.21 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 3kow s ALA 271 Cb -0.02 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 3kow s ALA 271 CO 0.13 -0.65 1.19 -2.14 0.00 0.00 0.00 175.76 174.29 3kow s PRO 272 N -3.97 2.96 0.01 0.00 0.02 -1.26 -1.69 135.00 131.07 3kow s PRO 272 Ca 0.17 1.76 0.29 0.00 0.02 0.00 0.00 61.00 63.23 3kow s PRO 272 Cb 0.03 -1.94 1.21 0.00 0.02 0.00 0.00 34.50 33.83 3kow s PRO 272 CO -0.00 -1.20 1.92 -0.35 -0.33 0.00 0.00 177.00 177.04 3kow n PRO 273 N -1.68 0.01 -1.74 5.54 -0.05 -1.26 -5.08 135.00 130.74 3kow n PRO 273 Ca 0.13 0.01 -0.40 0.00 -0.05 0.00 0.00 63.50 63.20 3kow n PRO 273 Cb 0.50 -1.51 0.03 0.00 -0.05 0.00 0.00 33.50 32.46 3kow n PRO 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3kow n ALA 274 N -1.51 1.68 -1.86 0.55 0.00 -0.68 -4.82 120.51 113.87 3kow n ALA 274 Ca 0.07 0.20 -0.28 0.00 0.00 0.00 0.00 53.44 53.43 3kow n ALA 274 Cb 0.34 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.37 3kow n ALA 274 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kow n PRO 275 N -0.48 1.30 -0.15 0.00 -0.04 -1.26 -4.67 135.00 129.70 3kow n PRO 275 Ca 0.08 -2.25 -0.10 0.00 -0.04 0.00 0.00 63.50 61.18 3kow n PRO 275 Cb 0.42 -3.67 -0.01 0.00 -0.04 0.00 0.00 33.50 30.21 3kow n PRO 275 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kow h SER 276 N 9.87 0.79 -0.07 3.54 4.64 -1.87 -2.49 113.55 127.95 3kow h SER 276 Ca 0.20 -0.33 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3kow h SER 276 Cb 0.92 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3kow h SER 276 CO 1.28 0.93 0.06 0.24 -0.87 0.00 0.00 176.83 178.46 3kow h MET 277 N 0.63 0.00 0.00 4.77 2.86 -1.94 0.30 114.93 121.55 3kow h MET 277 Ca 0.12 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.55 3kow h MET 277 Cb 0.54 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3kow h MET 277 CO 0.03 0.00 -1.22 -0.92 1.06 0.00 0.00 176.91 175.86 3kow h TYR 278 N 0.00 0.00 0.08 -0.22 3.20 -1.86 -2.34 116.97 115.83 3kow h TYR 278 Ca 0.03 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.63 3kow h TYR 278 Cb 0.15 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3kow h TYR 278 CO 0.00 0.83 -1.36 -0.07 -1.64 0.00 0.00 178.16 175.92 3kow h LEU 279 N 0.00 0.25 0.10 2.82 3.38 -1.05 -3.40 115.31 117.41 3kow h LEU 279 Ca -0.12 -0.32 -0.34 0.00 0.09 0.00 0.00 57.88 57.19 3kow h LEU 279 Cb 1.74 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 3kow h LEU 279 CO 0.09 1.26 -1.86 0.44 0.09 0.00 0.00 178.44 178.46 3kow h ASP 280 N 0.04 0.34 -0.47 -0.43 3.32 -0.54 -3.37 116.42 115.31 3kow h ASP 280 Ca -0.17 -0.69 0.06 0.00 0.02 0.00 0.00 57.03 56.25 3kow h ASP 280 Cb 1.94 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 41.33 3kow h ASP 280 CO 0.15 1.61 0.18 0.25 -1.72 0.00 0.00 179.24 179.72 3kow h LEU 281 N 0.06 0.21 -0.82 1.55 5.85 -1.61 -1.81 115.31 118.74 3kow h LEU 281 Ca -0.36 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.46 3kow h LEU 281 Cb 2.03 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 43.03 3kow h LEU 281 CO 0.10 0.16 0.51 -0.65 -0.34 0.00 0.00 178.44 178.22 3kow h PRO 282 N 0.37 0.91 -0.24 5.25 0.11 -1.77 -1.51 132.00 135.13 3kow h PRO 282 Ca 0.22 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.28 3kow h PRO 282 Cb 0.20 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3kow h PRO 282 CO -0.21 0.60 0.14 -0.92 -0.21 0.00 0.00 178.00 177.41 3kow h TYR 283 N 0.94 0.26 -0.64 0.65 3.20 -1.53 -2.65 116.97 117.20 3kow h TYR 283 Ca 0.35 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.17 3kow h TYR 283 Cb 0.14 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3kow h TYR 283 CO -0.04 0.16 0.15 0.00 -1.64 0.00 0.00 178.16 176.79 3kow h ALA 284 N 1.10 1.06 -0.58 1.82 0.00 -1.13 -0.76 119.26 120.77 3kow h ALA 284 Ca 0.09 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3kow h ALA 284 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kow h ALA 284 CO -0.04 0.62 0.06 0.28 0.00 0.00 0.00 179.25 180.18 3kow h VAL 285 N 0.97 1.25 0.07 0.00 2.07 -1.17 -2.51 116.25 116.94 3kow h VAL 285 Ca 0.21 -1.01 -0.25 0.00 0.82 0.00 0.00 66.70 66.47 3kow h VAL 285 Cb 0.35 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3kow h VAL 285 CO 0.00 0.37 -1.10 0.00 0.02 0.00 0.00 177.57 176.86 3kow h ALA 286 N 1.17 0.24 -0.13 1.67 0.00 -1.22 -2.73 119.26 118.26 3kow h ALA 286 Ca 0.18 -0.83 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 3kow h ALA 286 Cb 0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kow h ALA 286 CO 0.01 0.96 -0.33 1.25 0.00 0.00 0.00 179.25 181.14 3kow h LEU 287 N 0.10 0.26 -0.07 0.00 5.85 -1.09 -1.77 115.31 118.59 3kow h LEU 287 Ca -0.10 -0.09 -0.22 0.00 0.84 0.00 0.00 57.88 58.31 3kow h LEU 287 Cb 1.80 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 42.77 3kow h LEU 287 CO 0.18 0.58 -0.82 0.03 -0.34 0.00 0.00 178.44 178.07 3kow h ARG 288 N 0.23 0.67 -0.38 1.25 -0.00 -1.41 -2.87 114.38 111.86 3kow h ARG 288 Ca 0.03 -0.63 -0.10 0.00 -0.50 0.00 0.00 59.98 58.78 3kow h ARG 288 Cb 0.69 0.16 -0.02 0.00 0.00 0.00 0.00 29.97 30.80 3kow h ARG 288 CO 0.05 1.24 -0.17 0.93 0.00 0.00 0.00 179.97 182.02 3kow h GLU 289 N 0.34 0.70 0.00 0.04 5.08 -1.47 -2.32 114.58 116.95 3kow h GLU 289 Ca -0.08 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3kow h GLU 289 Cb 1.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.67 3kow h GLU 289 CO 0.16 0.83 0.00 1.98 -1.00 0.00 0.00 179.01 180.99 3kow h MET 290 N 0.63 0.00 -0.57 2.33 4.05 -1.39 -3.28 114.93 116.71 3kow h MET 290 Ca 0.10 0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 59.13 3kow h MET 290 Cb 0.64 0.00 -0.40 0.00 -0.80 0.00 0.00 31.60 31.03 3kow h MET 290 CO 0.04 0.00 -0.95 1.19 0.23 0.00 0.00 176.91 177.42 3kow n PHE 291 N -2.45 1.94 -1.69 1.39 3.72 -1.08 -5.07 117.46 114.22 3kow n PHE 291 Ca 0.05 -2.12 -0.44 0.00 -0.05 0.00 0.00 57.45 54.89 3kow n PHE 291 Cb 0.45 -0.28 -0.04 0.00 -0.94 0.00 0.00 39.48 38.67 3kow n PHE 291 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3kow n GLU 292 N -0.64 2.50 0.00 -1.08 2.13 -0.89 -1.68 120.64 120.97 3kow n GLU 292 Ca 0.26 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.98 3kow n GLU 292 Cb 0.89 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.88 3kow n GLU 292 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kow n GLY 293 N 3.78 2.24 3.92 8.31 0.00 -1.26 -5.08 105.19 117.09 3kow n GLY 293 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3kow n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kow s TYR 294 N -2.11 3.48 0.32 1.61 2.02 -0.68 -4.18 117.35 117.82 3kow s TYR 294 Ca 0.00 0.39 -0.26 0.00 -0.37 0.00 0.00 57.07 56.83 3kow s TYR 294 Cb 0.00 -1.89 -0.10 0.00 -0.40 0.00 0.00 41.96 39.57 3kow s TYR 294 CO 0.00 0.35 0.94 1.03 -1.57 0.00 0.00 175.55 176.30 3kow s ARG 295 N -3.33 4.60 -0.20 -0.62 1.81 -0.93 -4.98 118.95 115.29 3kow s ARG 295 Ca 0.39 1.33 -0.09 0.00 -1.72 0.00 0.00 55.73 55.65 3kow s ARG 295 Cb -0.11 -2.83 -0.05 0.00 -0.45 0.00 0.00 34.95 31.52 3kow s ARG 295 CO 0.29 0.29 0.11 -1.64 -0.68 0.00 0.00 175.30 173.67 3kow s MET 296 N -2.00 4.08 -0.72 3.54 -1.94 -1.26 -0.77 119.30 120.22 3kow s MET 296 Ca 0.50 -0.28 -0.11 0.00 -1.71 0.00 0.00 55.69 54.09 3kow s MET 296 Cb -0.19 -3.36 0.19 0.00 2.01 0.00 0.00 34.83 33.48 3kow s MET 296 CO 0.24 0.24 0.62 0.50 -0.01 0.00 0.00 175.02 176.61 3kow s ARG 297 N 0.51 3.16 0.03 2.03 3.00 0.99 -1.56 118.95 127.11 3kow s ARG 297 Ca 0.06 -2.37 -0.30 0.00 -1.00 0.00 0.00 55.73 52.12 3kow s ARG 297 Cb -0.12 -4.17 -0.06 0.00 0.00 0.00 0.00 34.95 30.59 3kow s ARG 297 CO 0.00 -1.25 1.43 0.00 0.00 0.00 0.00 175.30 175.48 3kow s ALA 298 N 0.31 3.59 0.22 6.12 0.00 0.09 -0.62 121.76 131.46 3kow s ALA 298 Ca 0.15 0.97 0.10 0.00 0.00 0.00 0.00 51.96 53.19 3kow s ALA 298 Cb -0.16 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 3kow s ALA 298 CO -0.06 -0.87 -0.19 -1.14 0.00 0.00 0.00 175.76 173.51 3kow s GLN 299 N 2.13 1.48 0.38 0.00 2.00 -0.74 -1.37 119.66 123.54 3kow s GLN 299 Ca 0.65 -1.60 0.02 0.00 -2.00 0.00 0.00 55.36 52.43 3kow s GLN 299 Cb -0.34 -1.53 -0.02 0.00 0.80 0.00 0.00 33.01 31.92 3kow s GLN 299 CO 0.28 0.30 0.57 -1.64 -0.50 0.00 0.00 175.29 174.30 3kow s MET 300 N -3.23 3.24 0.51 1.67 -1.94 -1.26 -4.22 119.30 114.07 3kow s MET 300 Ca 0.23 -0.56 -0.22 0.00 -1.71 0.00 0.00 55.69 53.44 3kow s MET 300 Cb -0.05 -2.67 -0.06 0.00 2.01 0.00 0.00 34.83 34.07 3kow s MET 300 CO 0.10 -0.02 1.23 1.21 -0.01 0.00 0.00 175.02 177.54 3kow s ASN 301 N -4.13 5.71 0.00 3.03 2.47 -1.26 -4.92 114.94 115.83 3kow s ASN 301 Ca 0.44 2.46 0.00 0.00 0.42 0.00 0.00 52.86 56.18 3kow s ASN 301 Cb -0.10 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 3kow s ASN 301 CO 0.35 -1.25 0.00 0.35 -3.72 0.00 0.00 177.10 172.84 3kow n THR 302 N -0.87 0.00 -0.06 -5.21 -2.24 -1.26 -4.92 114.28 99.72 3kow n THR 302 Ca 0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.77 3kow n THR 302 Cb 0.47 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.72 3kow n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kow h LYS 303 N 0.00 -0.00 -3.16 -0.78 3.64 -1.93 -3.36 116.57 110.98 3kow h LYS 303 Ca 0.00 0.00 -0.79 0.00 -1.27 0.00 0.00 60.65 58.59 3kow h LYS 303 Cb 0.18 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 31.78 3kow h LYS 303 CO 0.00 0.74 1.37 0.66 -2.27 0.00 0.00 179.45 179.95 3kow n TYR 304 N -4.66 2.54 -4.57 1.91 4.01 -1.26 -4.91 117.16 110.21 3kow n TYR 304 Ca -0.08 -2.66 -0.23 0.00 -0.16 0.00 0.00 57.90 54.77 3kow n TYR 304 Cb 0.36 -1.57 -0.16 0.00 -0.31 0.00 0.00 39.34 37.66 3kow n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3kow s MET 305 N -1.39 1.35 0.00 -0.72 1.75 -1.26 -4.91 119.30 114.13 3kow s MET 305 Ca 0.35 -0.42 0.00 0.00 -1.25 0.00 0.00 55.69 54.37 3kow s MET 305 Cb 0.07 -1.20 0.00 0.00 2.84 0.00 0.00 34.83 36.54 3kow s MET 305 CO 0.06 0.14 0.00 0.39 -0.65 0.00 0.00 175.02 174.96 3kow n GLU 306 N 3.32 3.78 0.02 4.11 -0.58 -1.26 -4.88 120.64 125.15 3kow n GLU 306 Ca -0.19 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.68 3kow n GLU 306 Cb 0.53 0.00 0.47 0.00 -0.57 0.00 0.00 31.44 31.87 3kow n GLU 306 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kow n ALA 307 N -3.00 2.66 -2.70 0.62 0.00 -1.26 -4.26 120.51 112.56 3kow n ALA 307 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3kow n ALA 307 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.05 3kow n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kow s SER 308 N -3.30 7.15 0.20 0.00 0.15 -1.26 -4.71 113.70 111.94 3kow s SER 308 Ca 0.12 1.40 0.11 0.00 0.70 0.00 0.00 55.95 58.27 3kow s SER 308 Cb 0.17 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 3kow s SER 308 CO 0.59 -0.24 1.38 0.71 1.20 0.00 0.00 173.24 176.89 3kow h THR 309 N 4.86 1.37 -0.23 6.45 1.35 -1.88 -2.89 112.91 121.95 3kow h THR 309 Ca -0.38 -2.83 -0.14 0.00 -0.55 0.00 0.00 66.41 62.50 3kow h THR 309 Cb 1.19 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 70.21 3kow h THR 309 CO 0.77 0.76 -0.45 -0.09 -0.25 0.00 0.00 175.52 176.26 3kow h ARG 310 N 0.00 0.57 -0.65 4.72 2.43 -1.91 -0.93 114.38 118.60 3kow h ARG 310 Ca -0.01 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 3kow h ARG 310 Cb 1.55 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.08 3kow h ARG 310 CO 0.10 0.91 0.21 1.49 -1.51 0.00 0.00 179.97 181.17 3kow h GLU 311 N 0.46 0.99 0.05 0.20 4.81 -1.95 -2.71 114.58 116.44 3kow h GLU 311 Ca 0.03 -0.19 -0.27 0.00 -0.13 0.00 0.00 59.36 58.80 3kow h GLU 311 Cb 0.96 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 30.21 3kow h GLU 311 CO 0.09 0.84 -1.11 0.00 -0.73 0.00 0.00 179.01 178.09 3kow h ALA 312 N 1.27 0.12 -0.45 2.92 0.00 -1.32 -2.70 119.26 119.10 3kow h ALA 312 Ca 0.21 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 3kow h ALA 312 Cb 0.26 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kow h ALA 312 CO -0.01 0.73 -0.03 1.15 0.00 0.00 0.00 179.25 181.09 3kow h THR 313 N 0.30 1.24 0.31 0.00 2.02 -1.19 -1.45 112.91 114.14 3kow h THR 313 Ca -0.14 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 3kow h THR 313 Cb 1.78 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 3kow h THR 313 CO 0.21 0.36 -0.15 0.58 0.37 0.00 0.00 175.52 176.89 3kow h VAL 314 N 0.70 0.69 -0.95 3.16 2.07 -1.52 -2.10 116.25 118.29 3kow h VAL 314 Ca 0.13 -0.61 0.28 0.00 0.82 0.00 0.00 66.70 67.33 3kow h VAL 314 Cb 0.48 0.99 -0.15 0.00 -1.52 0.00 0.00 31.29 31.09 3kow h VAL 314 CO 0.02 0.12 0.43 0.74 0.02 0.00 0.00 177.57 178.90 3kow h THR 315 N -0.77 0.31 -0.06 2.57 2.02 -1.42 -1.34 112.91 114.23 3kow h THR 315 Ca -0.04 -0.10 -0.14 0.00 0.77 0.00 0.00 66.41 66.90 3kow h THR 315 Cb 0.50 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3kow h THR 315 CO 0.07 0.05 -0.61 0.45 0.37 0.00 0.00 175.52 175.86 3kow h HIS 316 N 0.28 0.25 -0.51 3.16 3.86 -0.99 -0.75 115.15 120.45 3kow h HIS 316 Ca 0.66 -0.10 -0.11 0.00 -1.16 0.00 0.00 60.37 59.67 3kow h HIS 316 Cb 1.43 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.84 3kow h HIS 316 CO -0.12 0.75 -0.11 0.28 0.86 0.00 0.00 177.93 179.59 3kow h VAL 317 N 0.14 1.26 -0.26 2.45 2.07 -0.56 -1.19 116.25 120.17 3kow h VAL 317 Ca -0.01 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 3kow h VAL 317 Cb 1.10 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3kow h VAL 317 CO 0.09 0.43 0.06 -0.07 0.02 0.00 0.00 177.57 178.11 3kow h LEU 318 N 0.84 0.39 -1.71 2.57 3.38 -1.10 0.12 115.31 119.80 3kow h LEU 318 Ca 0.13 -0.23 0.22 0.00 0.09 0.00 0.00 57.88 58.10 3kow h LEU 318 Cb 0.64 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 3kow h LEU 318 CO 0.04 0.52 0.60 0.78 0.09 0.00 0.00 178.44 180.48 3kow h ASN 319 N 0.24 0.23 0.20 -0.43 -0.26 -0.95 -0.98 115.58 113.64 3kow h ASN 319 Ca 0.08 0.03 -0.28 0.00 -0.56 0.00 0.00 56.30 55.57 3kow h ASN 319 Cb 0.28 -0.02 0.02 0.00 -1.06 0.00 0.00 38.32 37.54 3kow h ASN 319 CO 0.00 0.09 -1.16 -0.07 -1.06 0.00 0.00 177.43 175.23 3kow h LEU 320 N 0.23 0.77 -0.71 1.61 3.38 -0.38 -3.01 115.31 117.21 3kow h LEU 320 Ca 0.45 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3kow h LEU 320 Cb 1.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 3kow h LEU 320 CO -0.11 1.50 0.42 0.25 0.09 0.00 0.00 178.44 180.59 3kow h LEU 321 N 0.27 0.86 -0.43 1.67 5.85 0.46 -0.99 115.31 122.99 3kow h LEU 321 Ca -0.15 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.57 3kow h LEU 321 Cb 1.83 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.58 3kow h LEU 321 CO 0.22 0.67 0.08 0.40 -0.34 0.00 0.00 178.44 179.47 3kow h ILE 322 N 0.97 0.76 -0.79 4.05 1.08 -1.30 -0.59 117.51 121.68 3kow h ILE 322 Ca 0.25 -0.07 0.02 0.00 -0.39 0.00 0.00 64.86 64.68 3kow h ILE 322 Cb -0.02 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 3kow h ILE 322 CO -0.05 0.04 0.51 0.28 -0.69 0.00 0.00 178.15 178.24 3kow h SER 323 N 0.21 0.86 -0.05 1.72 0.02 -1.22 -2.10 113.55 112.99 3kow h SER 323 Ca 0.21 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 3kow h SER 323 Cb 0.27 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3kow h SER 323 CO -0.28 0.60 -0.25 0.50 -1.14 0.00 0.00 176.83 176.26 3kow h LYS 324 N 1.02 0.48 0.00 3.45 1.63 -0.58 -2.39 116.57 120.17 3kow h LYS 324 Ca 0.31 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3kow h LYS 324 Cb -0.04 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3kow h LYS 324 CO -0.10 0.69 0.00 -0.07 -3.45 0.00 0.00 179.45 176.52 3kow h LEU 325 N 0.42 0.00 0.00 5.20 3.38 -0.50 -3.43 115.31 120.38 3kow h LEU 325 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kow h LEU 325 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kow h LEU 325 CO 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 3kow n THR 326 N -2.95 0.00 -3.78 0.22 -2.24 -0.85 -4.93 114.28 99.75 3kow n THR 326 Ca 0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.68 3kow n THR 326 Cb 0.45 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 3kow n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kow s ARG 327 N 2.03 0.54 -0.03 -0.78 3.52 -0.93 -5.02 118.95 118.28 3kow s ARG 327 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 55.73 55.58 3kow s ARG 327 Cb 0.00 0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.65 3kow s ARG 327 CO 0.00 -0.13 0.06 0.00 -0.81 0.00 0.00 175.30 174.42 3kow s ALA 328 N -0.83 -0.06 -0.08 6.12 0.00 -1.25 -4.85 121.76 120.81 3kow s ALA 328 Ca -0.09 0.32 0.21 0.00 0.00 0.00 0.00 51.96 52.40 3kow s ALA 328 Cb -0.05 -0.23 -0.30 0.00 0.00 0.00 0.00 23.12 22.54 3kow s ALA 328 CO 0.03 -0.09 0.39 -0.25 0.00 0.00 0.00 175.76 175.84 3kow n ASP 329 N 3.80 0.04 -3.92 0.00 8.00 -0.72 -4.53 116.55 119.23 3kow n ASP 329 Ca -0.22 0.02 -0.14 0.00 0.71 0.00 0.00 54.79 55.16 3kow n ASP 329 Cb 0.54 1.65 -0.14 0.00 -0.02 0.00 0.00 41.12 43.15 3kow n ASP 329 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kow s ILE 330 N -3.23 0.21 -0.27 0.53 1.01 -0.60 -2.61 121.20 116.23 3kow s ILE 330 Ca -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 3kow s ILE 330 Cb 0.12 -0.19 0.09 0.00 0.01 0.00 0.00 42.46 42.49 3kow s ILE 330 CO 0.88 0.02 0.10 -1.58 0.00 0.00 0.00 174.94 174.37 3kow s GLN 331 N -0.16 0.45 0.49 2.79 2.00 -0.41 -0.74 119.66 124.08 3kow s GLN 331 Ca 0.00 -0.69 -0.11 0.00 -2.00 0.00 0.00 55.36 52.56 3kow s GLN 331 Cb -0.02 -1.66 -0.06 0.00 0.80 0.00 0.00 33.01 32.08 3kow s GLN 331 CO -0.00 -0.93 0.87 -1.12 -0.50 0.00 0.00 175.29 173.62 3kow s SER 332 N 1.89 6.44 0.36 6.67 0.01 -0.47 -0.72 113.70 127.88 3kow s SER 332 Ca 0.07 1.25 0.08 0.00 1.31 0.00 0.00 55.95 58.66 3kow s SER 332 Cb -0.17 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 3kow s SER 332 CO -0.26 -0.57 0.27 0.42 0.41 0.00 0.00 173.24 173.50 3kow s THR 333 N -2.66 3.08 -0.04 1.44 -4.23 -1.14 -4.21 115.64 107.88 3kow s THR 333 Ca 0.53 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 59.60 3kow s THR 333 Cb -0.10 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3kow s THR 333 CO 0.38 -0.12 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.59 3kow s ILE 334 N -2.40 1.05 0.29 2.99 -1.09 -1.26 -4.68 121.20 116.11 3kow s ILE 334 Ca 0.42 -0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 58.05 3kow s ILE 334 Cb -0.04 -0.93 -0.10 0.00 -1.58 0.00 0.00 42.46 39.81 3kow s ILE 334 CO 0.26 0.32 1.39 0.42 -1.23 0.00 0.00 174.94 176.10 3kow s THR 335 N 0.24 2.61 -1.09 2.92 -4.23 -1.26 -4.82 115.64 110.01 3kow s THR 335 Ca -0.05 0.56 0.06 0.00 -1.18 0.00 0.00 61.69 61.08 3kow s THR 335 Cb -0.11 -3.36 0.06 0.00 1.34 0.00 0.00 72.50 70.43 3kow s THR 335 CO 0.02 0.11 1.16 -0.81 -0.54 0.00 0.00 174.62 174.55 3kow n PRO 336 N 1.54 0.02 0.00 3.99 -0.04 -1.26 -1.29 135.00 137.95 3kow n PRO 336 Ca 0.04 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 3kow n PRO 336 Cb 0.41 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.49 3kow n PRO 336 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3kow n ASP 337 N -1.46 2.29 -0.31 3.54 5.75 -1.26 -4.26 116.55 120.84 3kow n ASP 337 Ca 0.02 -1.66 0.26 0.00 -0.01 0.00 0.00 54.79 53.40 3kow n ASP 337 Cb 0.06 0.21 0.59 0.00 -1.03 0.00 0.00 41.12 40.95 3kow n ASP 337 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3kow h GLU 338 N 3.25 0.25 0.00 0.11 4.22 -1.40 0.48 114.58 121.49 3kow h GLU 338 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3kow h GLU 338 Cb 0.81 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3kow h GLU 338 CO 0.00 0.16 -0.42 0.41 -2.18 0.00 0.00 179.01 176.99 3kow n GLY 339 N -1.57 -1.40 0.11 1.92 0.00 -1.26 -4.08 105.19 98.91 3kow n GLY 339 Ca 0.25 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3kow n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kow n ARG 340 N -1.81 0.67 -1.33 1.61 0.63 0.16 -4.50 116.66 112.09 3kow n ARG 340 Ca 0.05 0.07 -0.00 0.00 -0.92 0.00 0.00 57.85 57.05 3kow n ARG 340 Cb 0.38 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.76 3kow n ARG 340 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3kow n ASN 341 N -2.98 -0.03 -4.73 6.15 2.04 -0.50 -4.96 115.26 110.26 3kow n ASN 341 Ca -0.38 -1.02 -0.41 0.00 -0.44 0.00 0.00 54.58 52.34 3kow n ASN 341 Cb 1.09 0.05 -0.04 0.00 -2.53 0.00 0.00 39.78 38.34 3kow n ASN 341 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3kow s VAL 342 N -2.70 4.70 0.00 3.53 1.01 -1.26 -4.41 120.40 121.27 3kow s VAL 342 Ca 0.00 1.84 -0.37 0.00 0.00 0.00 0.00 61.98 63.45 3kow s VAL 342 Cb -0.00 -4.22 -0.16 0.00 0.00 0.00 0.00 36.38 32.01 3kow s VAL 342 CO 0.00 0.30 1.50 -2.65 0.00 0.00 0.00 175.10 174.25 3kow n PRO 343 N 3.07 1.35 -3.66 2.72 -0.02 -1.26 -4.98 135.00 132.21 3kow n PRO 343 Ca 0.01 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.76 3kow n PRO 343 Cb 0.50 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3kow n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kow s TRP 344 N 1.46 3.41 0.14 6.00 0.51 -1.26 -4.80 118.94 124.40 3kow s TRP 344 Ca 0.87 0.09 -0.18 0.00 -2.12 0.00 0.00 56.10 54.76 3kow s TRP 344 Cb -0.93 -1.77 0.03 0.00 -0.81 0.00 0.00 33.47 29.99 3kow s TRP 344 CO 0.50 0.24 1.72 0.45 -0.51 0.00 0.00 176.95 179.34 3kow h HIS 345 N 0.96 0.01 -0.28 -1.98 3.86 -1.31 -2.14 115.15 114.26 3kow h HIS 345 Ca -0.50 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 58.72 3kow h HIS 345 Cb 1.23 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.73 3kow h HIS 345 CO 0.47 -0.04 0.15 -0.84 0.86 0.00 0.00 177.93 178.53 3kow h ILE 346 N 0.10 1.09 0.00 2.45 3.07 -1.95 -1.62 117.51 120.65 3kow h ILE 346 Ca 0.14 -0.24 -0.16 0.00 1.55 0.00 0.00 64.86 66.15 3kow h ILE 346 Cb 0.18 0.72 -0.03 0.00 -0.27 0.00 0.00 36.82 37.43 3kow h ILE 346 CO -0.22 0.10 -1.13 1.88 -1.05 0.00 0.00 178.15 177.73 3kow h TYR 347 N 0.38 0.00 -0.58 0.16 0.05 -1.85 -1.35 116.97 113.78 3kow h TYR 347 Ca 0.10 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.90 3kow h TYR 347 Cb 0.02 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 3kow h TYR 347 CO 0.00 0.60 0.36 -0.91 -1.05 0.00 0.00 178.16 177.16 3kow h ASN 348 N 0.00 0.59 0.33 3.88 4.21 -0.78 -1.64 115.58 122.17 3kow h ASN 348 Ca -0.11 -0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.29 3kow h ASN 348 Cb 1.56 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.61 3kow h ASN 348 CO 0.06 0.42 -0.45 0.40 -1.29 0.00 0.00 177.43 176.56 3kow h ILE 349 N 0.72 1.33 -0.31 2.81 5.03 -1.15 -2.26 117.51 123.68 3kow h ILE 349 Ca 0.23 -1.60 -0.01 0.00 -0.12 0.00 0.00 64.86 63.36 3kow h ILE 349 Cb 0.00 1.78 -0.01 0.00 -3.03 0.00 0.00 36.82 35.56 3kow h ILE 349 CO -0.09 0.47 0.16 -0.33 -0.68 0.00 0.00 178.15 177.69 3kow h GLU 350 N 0.13 0.43 -0.33 2.37 5.08 -1.14 -1.97 114.58 119.14 3kow h GLU 350 Ca 0.01 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3kow h GLU 350 Cb 0.85 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 3kow h GLU 350 CO 0.07 0.37 0.09 0.00 -1.00 0.00 0.00 179.01 178.54 3kow h ALA 351 N 1.03 0.37 0.67 3.43 0.00 -0.74 0.16 119.26 124.19 3kow h ALA 351 Ca 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3kow h ALA 351 Cb 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kow h ALA 351 CO -0.02 -0.31 -0.50 0.00 0.00 0.00 0.00 179.25 178.42 3kow h ASP 353 N -1.12 0.06 -0.76 0.00 5.19 -1.10 0.72 116.42 119.41 3kow h ASP 353 Ca -0.09 0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.44 3kow h ASP 353 Cb 0.93 0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.61 3kow h ASP 353 CO 0.03 -0.06 0.29 0.74 -3.12 0.00 0.00 179.24 177.12 3kow h THR 354 N 0.28 1.26 -0.08 0.35 2.02 -0.51 -2.02 112.91 114.20 3kow h THR 354 Ca 0.48 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 3kow h THR 354 Cb 0.88 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3kow h THR 354 CO -0.56 0.33 -0.11 0.00 0.37 0.00 0.00 175.52 175.55 3kow h ALA 355 N 1.15 0.12 -0.41 6.16 0.00 0.19 -1.60 119.26 124.86 3kow h ALA 355 Ca 0.25 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3kow h ALA 355 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kow h ALA 355 CO -0.02 -0.02 -0.20 1.57 0.00 0.00 0.00 179.25 180.58 3kow h LYS 356 N -0.25 0.80 -0.34 0.00 2.10 -1.23 -1.22 116.57 116.42 3kow h LYS 356 Ca 0.01 -0.31 0.01 0.00 -2.00 0.00 0.00 60.65 58.36 3kow h LYS 356 Cb 0.67 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.93 3kow h LYS 356 CO 0.03 0.94 0.20 0.37 -2.00 0.00 0.00 179.45 178.98 3kow h GLN 357 N 0.71 0.40 -0.00 0.07 4.15 -1.37 0.25 115.11 119.32 3kow h GLN 357 Ca 0.10 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3kow h GLN 357 Cb 0.71 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 3kow h GLN 357 CO 0.05 0.27 -0.00 0.00 -1.93 0.00 0.00 178.83 177.22 3kow h ALA 358 N 1.15 0.00 -0.78 3.38 0.00 -1.18 -0.80 119.26 121.03 3kow h ALA 358 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3kow h ALA 358 Cb -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3kow h ALA 358 CO -0.06 -0.33 0.39 -0.07 0.00 0.00 0.00 179.25 179.18 3kow h LEU 359 N -0.33 0.99 -0.16 0.00 3.38 -1.13 -2.27 115.31 115.80 3kow h LEU 359 Ca 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3kow h LEU 359 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3kow h LEU 359 CO 0.00 0.83 -0.02 0.40 0.09 0.00 0.00 178.44 179.73 3kow h ILE 360 N 1.10 1.28 -0.81 1.22 1.08 -0.46 -2.83 117.51 118.09 3kow h ILE 360 Ca 0.27 -0.95 0.20 0.00 -0.39 0.00 0.00 64.86 63.99 3kow h ILE 360 Cb 0.08 1.58 -0.13 0.00 -3.07 0.00 0.00 36.82 35.28 3kow h ILE 360 CO -0.04 0.28 0.18 1.23 -0.69 0.00 0.00 178.15 179.11 3kow h GLY 361 N 0.02 1.16 -1.10 5.37 0.00 -0.98 -0.36 103.07 107.18 3kow h GLY 361 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3kow h GLY 361 CO 0.01 -0.29 0.00 1.03 0.00 0.00 0.00 176.54 177.29 3kow n MET 362 N -5.22 1.71 -1.64 4.80 2.81 -0.87 -4.93 117.12 113.79 3kow n MET 362 Ca 0.18 -0.86 -0.52 0.00 -1.81 0.00 0.00 57.70 54.68 3kow n MET 362 Cb 0.57 -1.33 -0.06 0.00 -0.71 0.00 0.00 33.22 31.69 3kow n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kow n ASP 363 N 0.18 2.20 0.00 7.83 2.03 -0.15 -0.43 116.55 128.21 3kow n ASP 363 Ca 0.08 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.48 3kow n ASP 363 Cb 0.29 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 3kow n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kow n GLY 364 N 3.21 0.36 0.34 0.27 0.00 -1.26 -4.85 105.19 103.25 3kow n GLY 364 Ca 0.20 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.42 3kow n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kow h LEU 365 N 0.00 0.57 0.00 0.99 5.85 -1.11 0.19 115.31 121.81 3kow h LEU 365 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kow h LEU 365 Cb 0.28 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3kow h LEU 365 CO 0.00 -0.01 0.00 0.23 -0.34 0.00 0.00 178.44 178.32 3kow n MET 366 N -4.97 0.88 0.01 1.25 2.81 -1.26 -1.13 117.12 114.70 3kow n MET 366 Ca 0.29 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.28 3kow n MET 366 Cb 0.84 -1.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.36 3kow n MET 366 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kow n ASP 367 N -0.50 0.71 -0.00 7.83 9.92 0.67 -4.44 116.55 130.74 3kow n ASP 367 Ca 0.00 -0.53 0.01 0.00 -0.53 0.00 0.00 54.79 53.75 3kow n ASP 367 Cb 0.00 0.79 -0.03 0.00 -0.64 0.00 0.00 41.12 41.24 3kow n ASP 367 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 3kow n MET 368 N -1.67 0.54 -4.52 -1.24 2.81 -0.29 -5.03 117.12 107.72 3kow n MET 368 Ca 0.03 -0.03 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 3kow n MET 368 Cb 0.37 -1.09 -0.14 0.00 -0.71 0.00 0.00 33.22 31.65 3kow n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kow s VAL 369 N -2.24 1.23 0.04 2.03 1.01 -0.28 -5.13 120.40 117.05 3kow s VAL 369 Ca -0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 3kow s VAL 369 Cb 0.02 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3kow s VAL 369 CO 0.15 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.41 3kow s GLN 370 N -0.87 0.51 0.25 2.72 -2.07 -1.26 -4.43 119.66 114.50 3kow s GLN 370 Ca 0.04 -0.90 -0.30 0.00 -1.82 0.00 0.00 55.36 52.39 3kow s GLN 370 Cb -0.07 0.18 -0.09 0.00 -1.09 0.00 0.00 33.01 31.94 3kow s GLN 370 CO 0.01 -0.10 1.22 -0.51 -1.32 0.00 0.00 175.29 174.59 3kow s LEU 371 N -2.23 4.47 -1.52 2.60 1.43 -1.26 -4.91 118.68 117.25 3kow s LEU 371 Ca -0.04 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.35 3kow s LEU 371 Cb -0.00 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 3kow s LEU 371 CO -0.06 -0.38 2.75 0.29 0.23 0.00 0.00 176.35 179.18 3kow n LYS 372 N 1.72 3.38 -0.07 1.70 5.02 -1.26 -4.74 118.16 123.90 3kow n LYS 372 Ca 0.02 -2.20 0.19 0.00 -2.02 0.00 0.00 58.31 54.29 3kow n LYS 372 Cb 0.44 -2.86 0.62 0.00 -0.02 0.00 0.00 35.03 33.20 3kow n LYS 372 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kow h ARG 373 N 5.34 0.16 -4.13 1.97 9.65 -1.98 -3.31 114.38 122.08 3kow h ARG 373 Ca 0.78 -0.01 -0.75 0.00 -1.10 0.00 0.00 59.98 58.90 3kow h ARG 373 Cb 0.34 -0.04 -0.25 0.00 -1.39 0.00 0.00 29.97 28.63 3kow h ARG 373 CO 1.78 0.11 -0.25 -1.21 2.80 0.00 0.00 179.97 183.20 3kow s GLU 374 N -5.17 2.88 0.00 0.20 0.41 -1.26 -3.28 118.70 112.48 3kow s GLU 374 Ca -0.06 -1.73 0.00 0.00 -0.41 0.00 0.00 54.97 52.77 3kow s GLU 374 Cb 0.20 -4.22 0.00 0.00 -1.78 0.00 0.00 34.13 28.33 3kow s GLU 374 CO 0.75 -1.30 0.00 0.41 -0.49 0.00 0.00 175.26 174.63 3kow n GLY 375 N 5.17 -0.55 0.36 -1.39 0.00 -1.25 -4.95 105.19 102.58 3kow n GLY 375 Ca -0.12 -1.27 0.08 0.00 0.00 0.00 0.00 46.02 44.71 3kow n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kow h VAL 376 N 0.00 0.96 0.11 1.61 3.04 -1.92 -0.54 116.25 119.51 3kow h VAL 376 Ca 0.00 -0.26 0.02 0.00 -1.01 0.00 0.00 66.70 65.45 3kow h VAL 376 Cb 0.00 0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 29.38 3kow h VAL 376 CO 0.00 0.14 -0.25 0.25 -1.01 0.00 0.00 177.57 176.70 3kow h LEU 377 N 0.76 -0.70 -0.35 3.16 5.85 -1.88 -1.62 115.31 120.52 3kow h LEU 377 Ca 0.37 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.22 3kow h LEU 377 Cb 0.43 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 3kow h LEU 377 CO -0.14 -0.34 -0.52 1.23 -0.34 0.00 0.00 178.44 178.33 3kow h GLY 378 N -0.45 -1.08 0.41 3.75 0.00 -1.10 -1.51 103.07 103.09 3kow h GLY 378 Ca 0.03 0.72 0.14 0.00 0.00 0.00 0.00 47.33 48.22 3kow h GLY 378 CO -0.15 -0.16 0.62 -0.55 0.00 0.00 0.00 176.54 176.30 3kow h ASP 379 N -0.40 0.85 -0.29 0.19 3.32 -1.00 0.34 116.42 119.44 3kow h ASP 379 Ca 0.06 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 3kow h ASP 379 Cb 0.57 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3kow h ASP 379 CO -0.54 0.42 -0.22 0.74 -1.72 0.00 0.00 179.24 177.92 3kow h THR 380 N 0.89 1.27 0.61 0.35 2.02 -0.88 0.02 112.91 117.19 3kow h THR 380 Ca 0.51 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 3kow h THR 380 Cb 0.62 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3kow h THR 380 CO -0.28 0.44 -0.48 0.58 0.37 0.00 0.00 175.52 176.16 3kow h VAL 381 N 0.67 0.05 -0.60 3.16 2.07 0.58 -0.19 116.25 122.00 3kow h VAL 381 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.72 3kow h VAL 381 Cb 0.73 0.05 -0.12 0.00 -1.52 0.00 0.00 31.29 30.43 3kow h VAL 381 CO 0.06 0.00 -0.32 -0.09 0.02 0.00 0.00 177.57 177.23 3kow h ARG 382 N -1.06 -0.14 -0.52 1.57 9.65 -0.65 -1.62 114.38 121.61 3kow h ARG 382 Ca -0.08 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 3kow h ARG 382 Cb 0.89 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.47 3kow h ARG 382 CO 0.01 -0.10 0.19 1.49 2.80 0.00 0.00 179.97 184.36 3kow h GLU 383 N -0.15 0.75 -0.30 0.20 4.81 -0.83 -2.69 114.58 116.37 3kow h GLU 383 Ca 0.24 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3kow h GLU 383 Cb 0.55 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3kow h GLU 383 CO -0.68 0.63 0.20 -0.07 -0.73 0.00 0.00 179.01 178.36 3kow h LEU 384 N 0.74 0.34 -0.22 1.64 3.38 -0.09 -2.56 115.31 118.53 3kow h LEU 384 Ca 0.18 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3kow h LEU 384 Cb 0.18 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3kow h LEU 384 CO -0.01 0.25 0.01 0.11 0.09 0.00 0.00 178.44 178.89 3kow h LYS 385 N 0.40 0.09 -0.96 1.13 1.57 -1.09 -1.81 116.57 115.90 3kow h LYS 385 Ca 0.11 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3kow h LYS 385 Cb -0.04 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 3kow h LYS 385 CO -0.03 0.06 0.63 0.93 -0.57 0.00 0.00 179.45 180.47 3kow h GLU 386 N 0.09 1.21 -0.67 3.15 5.08 -1.47 0.19 114.58 122.15 3kow h GLU 386 Ca 0.10 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3kow h GLU 386 Cb 0.12 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3kow h GLU 386 CO -0.16 0.80 0.43 0.00 -1.00 0.00 0.00 179.01 179.08 3kow h ARG 387 N 1.24 0.84 0.40 2.33 3.08 -1.09 0.11 114.38 121.28 3kow h ARG 387 Ca 0.37 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 3kow h ARG 387 Cb -0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3kow h ARG 387 CO -0.10 0.56 -0.33 0.00 -1.07 0.00 0.00 179.97 179.03 3kow h ALA 388 N 1.26 -1.06 -0.90 0.04 0.00 -0.44 -1.77 119.26 116.40 3kow h ALA 388 Ca 0.26 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.26 3kow h ALA 388 Cb -0.05 0.52 -0.16 0.00 0.00 0.00 0.00 17.79 18.10 3kow h ALA 388 CO -0.08 -1.06 0.03 0.28 0.00 0.00 0.00 179.25 178.42 3kow h VAL 389 N -0.70 0.16 -0.11 0.00 2.07 -0.38 0.21 116.25 117.50 3kow h VAL 389 Ca -0.05 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3kow h VAL 389 Cb 0.59 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3kow h VAL 389 CO -0.00 0.01 -0.12 -0.07 0.02 0.00 0.00 177.57 177.41 3kow h LEU 390 N 0.06 -0.36 -0.76 2.57 3.38 -0.60 -0.73 115.31 118.88 3kow h LEU 390 Ca 0.53 0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.72 3kow h LEU 390 Cb 1.03 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 3kow h LEU 390 CO -0.81 -0.16 0.27 0.15 0.09 0.00 0.00 178.44 177.98 3kow h PHE 391 N -0.14 0.45 -0.40 1.13 -0.00 0.31 -1.14 116.94 117.15 3kow h PHE 391 Ca 0.08 0.04 -0.10 0.00 -0.00 0.00 0.00 57.97 57.99 3kow h PHE 391 Cb 0.26 -0.08 -0.01 0.00 -0.00 0.00 0.00 35.95 36.12 3kow h PHE 391 CO -0.23 0.01 -0.13 0.52 -0.00 0.00 0.00 178.31 178.48 3kow h MET 392 N 0.38 0.79 -0.59 1.11 2.86 -0.79 -1.68 114.93 117.01 3kow h MET 392 Ca 0.42 -0.32 0.12 0.00 -2.06 0.00 0.00 59.70 57.86 3kow h MET 392 Cb 0.68 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 3kow h MET 392 CO -0.44 0.94 0.40 0.93 1.06 0.00 0.00 176.91 179.80 3kow h GLU 393 N 0.60 0.28 0.00 1.72 5.08 -0.06 -1.45 114.58 120.75 3kow h GLU 393 Ca 0.10 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3kow h GLU 393 Cb 0.67 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3kow h GLU 393 CO 0.05 0.19 -0.54 1.49 -1.00 0.00 0.00 179.01 179.19 3kow h GLU 394 N 0.29 0.00 -0.17 2.33 4.81 -0.75 -2.26 114.58 118.83 3kow h GLU 394 Ca 0.28 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 3kow h GLU 394 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3kow h GLU 394 CO -0.06 0.32 -0.37 0.82 -0.73 0.00 0.00 179.01 178.99 3kow h ILE 395 N 0.00 1.34 -0.54 2.32 2.04 -0.39 -2.15 117.51 120.14 3kow h ILE 395 Ca -0.02 -1.62 0.01 0.00 1.00 0.00 0.00 64.86 64.23 3kow h ILE 395 Cb 1.29 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 3kow h ILE 395 CO 0.04 0.49 0.34 0.40 0.00 0.00 0.00 178.15 179.43 3kow h ILE 396 N 0.20 1.11 -0.61 -0.67 2.04 -1.31 -0.22 117.51 118.04 3kow h ILE 396 Ca 0.00 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3kow h ILE 396 Cb 0.97 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3kow h ILE 396 CO 0.08 0.13 0.28 -0.08 0.00 0.00 0.00 178.15 178.55 3kow h GLU 397 N 0.70 0.88 0.00 2.37 4.81 -1.37 0.88 114.58 122.84 3kow h GLU 397 Ca 0.20 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3kow h GLU 397 Cb -0.04 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.17 3kow h GLU 397 CO -0.06 0.70 0.00 0.00 -0.73 0.00 0.00 179.01 178.91 3kow n ALA 398 N -2.45 2.09 -0.22 2.92 0.00 -0.81 -4.88 120.51 117.15 3kow n ALA 398 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3kow n ALA 398 Cb 0.14 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3kow n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kow n GLY 399 N 0.56 0.87 0.00 0.00 0.00 0.30 -4.58 105.19 102.35 3kow n GLY 399 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kow n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kow n GLY 400 N -2.22 1.42 0.46 -0.02 0.00 -0.14 -4.69 105.19 99.99 3kow n GLY 400 Ca 0.00 -2.26 -0.16 0.00 0.00 0.00 0.00 46.02 43.60 3kow n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kow h TYR 401 N 0.00 -1.39 -0.74 1.61 3.20 -1.96 0.25 116.97 117.95 3kow h TYR 401 Ca 0.00 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.00 3kow h TYR 401 Cb 0.00 0.59 -0.07 0.00 1.54 0.00 0.00 36.73 38.79 3kow h TYR 401 CO 0.00 -0.57 0.39 0.74 -1.64 0.00 0.00 178.16 177.08 3kow h PHE 402 N -0.71 0.70 0.16 -3.82 0.04 -1.98 0.19 116.94 111.52 3kow h PHE 402 Ca 0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3kow h PHE 402 Cb 0.73 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.68 3kow h PHE 402 CO -0.42 0.26 -0.08 -0.91 -0.60 0.00 0.00 178.31 176.56 3kow h ASN 403 N 0.66 -0.18 -0.82 2.17 2.35 -1.68 -2.19 115.58 115.89 3kow h ASN 403 Ca 0.36 -0.17 0.21 0.00 -0.55 0.00 0.00 56.30 56.16 3kow h ASN 403 Cb 0.37 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 3kow h ASN 403 CO -0.26 0.07 0.57 0.00 -1.65 0.00 0.00 177.43 176.15 3kow h ALA 404 N 0.36 2.54 -0.27 -0.83 0.00 0.35 -1.31 119.26 120.09 3kow h ALA 404 Ca -0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3kow h ALA 404 Cb 0.34 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kow h ALA 404 CO 0.04 -0.78 -0.41 0.28 0.00 0.00 0.00 179.25 178.38 3kow h VAL 405 N 0.15 1.30 0.00 0.00 2.07 -0.23 -2.87 116.25 116.67 3kow h VAL 405 Ca 0.40 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 3kow h VAL 405 Cb 1.35 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3kow h VAL 405 CO -0.07 0.51 -0.19 -0.33 0.02 0.00 0.00 177.57 177.51 3kow h GLU 406 N 0.49 0.00 -0.01 1.57 5.08 -0.65 -2.99 114.58 118.07 3kow h GLU 406 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kow h GLU 406 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3kow h GLU 406 CO 0.09 0.19 -0.17 1.04 -1.00 0.00 0.00 179.01 179.17 3kow n GLN 407 N -3.41 1.05 -0.33 2.33 6.02 -0.83 -4.64 117.38 117.56 3kow n GLN 407 Ca -0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.40 3kow n GLN 407 Cb 0.39 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.16 3kow n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kow n GLY 408 N 1.28 0.80 0.19 1.08 0.00 -1.14 -4.98 105.19 102.43 3kow n GLY 408 Ca 0.14 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.93 3kow n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kow h PHE 409 N 0.00 0.00 -2.30 1.61 -1.00 -1.75 -3.36 116.94 110.15 3kow h PHE 409 Ca 0.00 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.21 3kow h PHE 409 Cb 0.00 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.46 3kow h PHE 409 CO 0.00 0.00 -0.66 -0.06 -1.61 0.00 0.00 178.31 175.98 3kow s PHE 410 N -3.65 2.68 -1.28 -0.55 0.08 -1.26 -4.59 117.98 109.40 3kow s PHE 410 Ca -0.03 -0.22 -0.02 0.00 0.12 0.00 0.00 56.93 56.78 3kow s PHE 410 Cb 0.07 -1.20 -0.00 0.00 -0.57 0.00 0.00 43.02 41.32 3kow s PHE 410 CO 0.24 0.61 0.73 0.28 -0.10 0.00 0.00 175.22 176.98 3kow n VAL 411 N -0.77 -4.88 -4.27 -0.44 0.31 -1.26 -0.89 118.33 106.12 3kow n VAL 411 Ca -0.07 -0.58 -0.34 0.00 -0.01 0.00 0.00 64.34 63.34 3kow n VAL 411 Cb 0.59 -4.01 -0.11 0.00 -0.91 0.00 0.00 33.84 29.40 3kow n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kow s ASP 412 N -4.25 5.20 0.00 4.52 2.15 -1.26 -4.09 116.67 118.94 3kow s ASP 412 Ca 0.06 0.02 0.17 0.00 0.43 0.00 0.00 52.55 53.23 3kow s ASP 412 Cb -0.02 -1.75 0.78 0.00 -0.30 0.00 0.00 42.92 41.64 3kow s ASP 412 CO 0.81 0.24 1.52 -1.54 -0.17 0.00 0.00 175.17 176.03 3kow n SER 413 N 3.10 0.00 -4.86 -0.34 3.41 -1.26 -4.78 113.62 108.88 3kow n SER 413 Ca -0.18 0.30 -0.31 0.00 -0.26 0.00 0.00 58.87 58.42 3kow n SER 413 Cb 0.53 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 3kow n SER 413 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kow s GLY 414 N -2.81 1.67 -1.11 5.00 0.00 -1.26 -4.81 107.32 103.99 3kow s GLY 414 Ca 0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 44.72 44.70 3kow s GLY 414 CO 0.29 0.22 1.19 2.98 0.00 0.00 0.00 173.10 177.77 3kow n TYR 415 N -2.78 4.76 -0.61 1.90 9.36 -1.23 -4.64 117.16 123.93 3kow n TYR 415 Ca 0.06 -3.68 -0.22 0.00 3.32 0.00 0.00 57.90 57.39 3kow n TYR 415 Cb 0.54 -1.64 -0.02 0.00 -0.63 0.00 0.00 39.34 37.59 3kow n TYR 415 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3kow n TYR 416 N 2.48 -0.09 0.31 2.98 9.36 -1.26 -2.64 117.16 128.30 3kow n TYR 416 Ca 0.25 0.43 0.18 0.00 3.32 0.00 0.00 57.90 62.08 3kow n TYR 416 Cb 0.38 -0.85 1.01 0.00 -0.63 0.00 0.00 39.34 39.25 3kow n TYR 416 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3kow h PRO 417 N 0.63 0.00 -5.96 2.98 0.13 -1.96 -3.48 132.00 124.34 3kow h PRO 417 Ca -0.14 0.00 -0.82 0.00 -0.87 0.00 0.00 66.00 64.17 3kow h PRO 417 Cb 0.62 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.78 3kow h PRO 417 CO 0.25 0.02 0.27 -1.91 -0.23 0.00 0.00 178.00 176.40 3kow n GLU 418 N -3.42 0.00 -3.90 0.86 2.13 -1.08 -4.95 120.64 110.28 3kow n GLU 418 Ca -0.03 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.60 3kow n GLU 418 Cb 0.12 -1.49 -0.17 0.00 0.27 0.00 0.00 31.44 30.17 3kow n GLU 418 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3kow s ARG 419 N 1.01 0.41 0.00 5.31 3.52 -1.26 -3.51 118.95 124.43 3kow s ARG 419 Ca 0.95 0.09 0.23 0.00 -0.13 0.00 0.00 55.73 56.87 3kow s ARG 419 Cb -1.34 -0.65 0.46 0.00 -1.56 0.00 0.00 34.95 31.86 3kow s ARG 419 CO 0.65 -0.19 1.42 0.09 -0.81 0.00 0.00 175.30 176.46 3kow n ASN 420 N 4.50 3.55 -1.59 -2.12 3.02 -1.26 -4.95 115.26 116.40 3kow n ASN 420 Ca -0.19 -1.99 -0.20 0.00 -0.03 0.00 0.00 54.58 52.18 3kow n ASN 420 Cb 0.50 -0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 39.30 3kow n ASN 420 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kow n GLY 421 N 1.50 1.65 1.93 7.41 0.00 -1.26 -4.88 105.19 111.54 3kow n GLY 421 Ca 0.20 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3kow n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kow n ASP 422 N -1.24 4.40 -4.84 1.61 5.75 -1.26 -5.03 116.55 115.95 3kow n ASP 422 Ca -0.20 -3.72 -0.30 0.00 -0.01 0.00 0.00 54.79 50.56 3kow n ASP 422 Cb 0.65 -0.77 0.08 0.00 -1.03 0.00 0.00 41.12 40.05 3kow n ASP 422 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3kow s GLY 423 N -1.99 1.62 -0.36 6.12 0.00 -1.26 -4.68 107.32 106.76 3kow s GLY 423 Ca 0.55 -0.32 -0.22 0.00 0.00 0.00 0.00 44.72 44.73 3kow s GLY 423 CO 0.04 0.11 0.72 -0.42 0.00 0.00 0.00 173.10 173.56 3kow s ILE 424 N -3.27 4.79 -0.13 0.90 -1.09 -0.07 -4.95 121.20 117.38 3kow s ILE 424 Ca 0.60 0.75 -0.06 0.00 -2.23 0.00 0.00 60.65 59.71 3kow s ILE 424 Cb -0.13 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 3kow s ILE 424 CO 0.53 -0.40 0.08 0.00 -1.23 0.00 0.00 174.94 173.92 3kow s ALA 425 N 2.95 3.57 -0.04 9.38 0.00 -1.26 -4.41 121.76 131.95 3kow s ALA 425 Ca 0.28 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3kow s ALA 425 Cb -0.14 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.17 3kow s ALA 425 CO 0.16 0.47 -0.07 1.03 0.00 0.00 0.00 175.76 177.35 3kow s ARG 426 N -0.54 0.94 -0.02 0.00 1.81 -1.15 -5.00 118.95 115.00 3kow s ARG 426 Ca 0.11 -0.22 -0.29 0.00 -1.72 0.00 0.00 55.73 53.60 3kow s ARG 426 Cb -0.12 -0.88 -0.03 0.00 -0.45 0.00 0.00 34.95 33.47 3kow s ARG 426 CO 0.02 0.02 0.96 -0.65 -0.68 0.00 0.00 175.30 174.97 3kow s GLN 427 N 0.52 4.53 0.59 3.54 1.11 -1.26 -3.72 119.66 124.97 3kow s GLN 427 Ca -0.08 1.37 0.28 0.00 0.01 0.00 0.00 55.36 56.95 3kow s GLN 427 Cb -0.11 -3.47 1.57 0.00 -1.01 0.00 0.00 33.01 29.99 3kow s GLN 427 CO 0.01 -0.07 2.01 0.97 0.01 0.00 0.00 175.29 178.22 3kow h ILE 428 N 4.83 0.45 0.00 1.08 2.10 -1.98 -0.07 117.51 123.91 3kow h ILE 428 Ca -0.40 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.53 3kow h ILE 428 Cb 1.21 0.75 -0.03 0.00 -1.09 0.00 0.00 36.82 37.65 3kow h ILE 428 CO 0.76 0.00 -0.36 -0.46 -1.08 0.00 0.00 178.15 177.01 3kow n ASN 429 N -3.80 1.77 -0.36 2.19 6.94 -1.26 -4.55 115.26 116.20 3kow n ASN 429 Ca 0.05 -3.31 0.00 0.00 -0.02 0.00 0.00 54.58 51.29 3kow n ASN 429 Cb 0.47 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3kow n ASN 429 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kow n GLY 430 N -1.02 6.79 0.00 4.83 0.00 -0.04 -4.80 105.19 110.94 3kow n GLY 430 Ca 0.15 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3kow n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kow n GLY 431 N 4.16 -0.60 3.73 -0.02 0.00 -1.26 -3.89 105.19 107.30 3kow n GLY 431 Ca 0.00 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3kow n GLY 431 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kow n ILE 432 N -0.53 1.13 -0.58 -0.61 2.08 0.64 -2.88 119.36 118.60 3kow n ILE 432 Ca 0.00 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.03 3kow n ILE 432 Cb 0.00 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.06 3kow n ILE 432 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kow n GLY 433 N 1.96 0.77 3.68 7.39 0.00 -1.26 -0.40 105.19 117.33 3kow n GLY 433 Ca 0.09 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.63 3kow n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow n ALA 434 N -0.26 1.02 -0.15 4.61 0.00 -1.14 -2.71 120.51 121.88 3kow n ALA 434 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3kow n ALA 434 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 16.94 3kow n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kow n GLY 435 N 4.34 0.92 0.71 0.00 0.00 -1.26 -4.97 105.19 104.92 3kow n GLY 435 Ca 0.22 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3kow n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kow n THR 436 N -2.15 0.70 -2.59 2.61 -2.24 -1.10 -4.93 114.28 104.58 3kow n THR 436 Ca 0.00 -0.85 -0.43 0.00 -2.27 0.00 0.00 64.05 60.50 3kow n THR 436 Cb 0.00 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 3kow n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kow s VAL 437 N -1.04 4.55 0.10 2.28 1.01 -1.26 -5.02 120.40 121.02 3kow s VAL 437 Ca 0.24 1.85 0.07 0.00 0.00 0.00 0.00 61.98 64.15 3kow s VAL 437 Cb 0.14 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3kow s VAL 437 CO 0.18 -0.07 -0.09 -0.36 0.00 0.00 0.00 175.10 174.77 3kow s PHE 438 N 2.60 2.77 0.27 5.22 0.08 -1.26 -5.12 117.98 122.53 3kow s PHE 438 Ca 0.50 -0.14 -0.17 0.00 0.12 0.00 0.00 56.93 57.24 3kow s PHE 438 Cb -0.19 -1.45 -0.08 0.00 -0.57 0.00 0.00 43.02 40.72 3kow s PHE 438 CO 0.15 0.43 0.71 -2.00 -0.10 0.00 0.00 175.22 174.41 3kow s GLU 439 N -2.20 4.09 0.07 0.44 2.12 -1.26 -5.05 118.70 116.90 3kow s GLU 439 Ca 0.22 0.72 -0.29 0.00 0.36 0.00 0.00 54.97 55.98 3kow s GLU 439 Cb -0.11 -2.66 -0.05 0.00 0.26 0.00 0.00 34.13 31.57 3kow s GLU 439 CO 0.14 0.28 0.91 1.03 -0.54 0.00 0.00 175.26 177.08 3kow s ARG 440 N -2.50 4.62 0.47 4.30 0.52 -1.26 -5.06 118.95 120.04 3kow s ARG 440 Ca 0.48 1.34 -0.06 0.00 -0.52 0.00 0.00 55.73 56.97 3kow s ARG 440 Cb -0.13 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 3kow s ARG 440 CO 0.19 0.17 0.78 -0.51 0.02 0.00 0.00 175.30 175.95 3kow s ASP 441 N 0.22 6.30 0.53 0.23 1.11 -1.26 -4.95 116.67 118.84 3kow s ASP 441 Ca 0.46 0.95 0.31 0.00 0.18 0.00 0.00 52.55 54.45 3kow s ASP 441 Cb -0.22 -2.26 1.46 0.00 1.07 0.00 0.00 42.92 42.97 3kow s ASP 441 CO 0.27 -0.55 1.86 -0.08 1.18 0.00 0.00 175.17 177.86 3kow h GLU 442 N 0.37 0.04 -0.44 8.23 4.22 -2.02 0.13 114.58 125.11 3kow h GLU 442 Ca -0.47 -0.00 -0.29 0.00 0.08 0.00 0.00 59.36 58.67 3kow h GLU 442 Cb 1.20 -0.01 -0.20 0.00 0.50 0.00 0.00 28.75 30.24 3kow h GLU 442 CO 0.62 0.03 -0.34 -0.40 -2.18 0.00 0.00 179.01 176.74 3kow n ASP 443 N -4.28 3.47 -4.76 1.04 5.68 -1.26 -4.65 116.55 111.79 3kow n ASP 443 Ca 0.21 -3.81 -0.39 0.00 -0.50 0.00 0.00 54.79 50.30 3kow n ASP 443 Cb 1.01 -0.55 0.01 0.00 -1.14 0.00 0.00 41.12 40.45 3kow n ASP 443 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3kow s TYR 444 N -3.41 2.68 -0.24 2.11 5.04 0.03 -4.90 117.35 118.66 3kow s TYR 444 Ca 0.47 1.42 -0.26 0.00 -2.44 0.00 0.00 57.07 56.26 3kow s TYR 444 Cb 0.41 -3.65 0.09 0.00 0.35 0.00 0.00 41.96 39.16 3kow s TYR 444 CO -0.01 -2.20 0.81 1.41 -1.34 0.00 0.00 175.55 174.22 3kow s MET 445 N -2.52 0.77 -0.06 4.97 -2.45 -1.26 -1.34 119.30 117.40 3kow s MET 445 Ca 0.62 0.78 -0.00 0.00 -1.25 0.00 0.00 55.69 55.84 3kow s MET 445 Cb -0.37 0.37 0.03 0.00 1.25 0.00 0.00 34.83 36.11 3kow s MET 445 CO 0.46 -0.12 -0.02 0.00 1.05 0.00 0.00 175.02 176.39 3kow s ALA 446 N 0.10 0.69 -0.16 4.11 0.00 -1.26 -5.02 121.76 120.22 3kow s ALA 446 Ca -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.87 3kow s ALA 446 Cb -0.04 -0.60 0.23 0.00 0.00 0.00 0.00 23.12 22.71 3kow s ALA 446 CO 0.00 -0.26 1.31 -0.35 0.00 0.00 0.00 175.76 176.47 3kow n PRO 447 N 4.64 1.44 -3.86 0.00 -0.05 -1.26 -4.90 135.00 131.01 3kow n PRO 447 Ca -0.16 -1.03 -0.23 0.00 -0.05 0.00 0.00 63.50 62.03 3kow n PRO 447 Cb 0.50 -1.41 -0.04 0.00 -0.05 0.00 0.00 33.50 32.50 3kow n PRO 447 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 175.50 176.78 3kow n VAL 448 N -0.06 0.00 -3.70 0.52 0.24 -1.26 -3.13 118.33 110.93 3kow n VAL 448 Ca 0.20 -1.73 -0.21 0.00 -2.04 0.00 0.00 64.34 60.57 3kow n VAL 448 Cb 0.90 0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 33.53 3kow n VAL 448 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3kow s THR 449 N -2.29 3.39 -0.85 3.34 2.01 -1.26 -4.05 115.64 115.92 3kow s THR 449 Ca 0.03 -1.32 -0.03 0.00 0.31 0.00 0.00 61.69 60.67 3kow s THR 449 Cb -0.00 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.35 3kow s THR 449 CO 0.02 -0.13 0.64 0.00 -0.69 0.00 0.00 174.62 174.46 3kow n ALA 450 N -1.45 -2.71 -3.99 7.40 0.00 -1.26 -4.97 120.51 113.53 3kow n ALA 450 Ca -0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 3kow n ALA 450 Cb 0.60 -1.24 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 3kow n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kow s HIS 451 N -3.06 2.32 0.11 0.00 5.04 -1.26 -4.49 115.29 113.94 3kow s HIS 451 Ca 0.06 -1.50 -0.14 0.00 -1.54 0.00 0.00 55.06 51.94 3kow s HIS 451 Cb -0.03 -1.60 -0.08 0.00 0.04 0.00 0.00 32.58 30.91 3kow s HIS 451 CO 0.86 -0.72 1.43 0.35 -2.34 0.00 0.00 174.74 174.32 3kow h PHE 452 N 8.00 0.89 -2.05 3.88 3.57 -1.89 -3.47 116.94 125.87 3kow h PHE 452 Ca -0.28 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 60.95 3kow h PHE 452 Cb 1.10 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3kow h PHE 452 CO 0.50 1.03 0.00 0.41 -2.23 0.00 0.00 178.31 178.01 3kow n GLY 453 N 0.17 0.13 3.71 2.40 0.00 -1.26 -5.01 105.19 105.33 3kow n GLY 453 Ca -0.04 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3kow n GLY 453 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kow s TYR 454 N 0.39 3.36 -0.25 1.61 5.04 -1.26 -5.02 117.35 121.21 3kow s TYR 454 Ca 0.00 1.20 -0.02 0.00 -2.44 0.00 0.00 57.07 55.81 3kow s TYR 454 Cb 0.00 -3.49 0.08 0.00 0.35 0.00 0.00 41.96 38.90 3kow s TYR 454 CO 0.00 -1.57 0.07 1.21 -1.34 0.00 0.00 175.55 173.91 3kow s ASN 455 N 1.13 3.44 -1.13 4.32 3.84 -1.26 -4.73 114.94 120.54 3kow s ASN 455 Ca 0.60 -1.20 -0.19 0.00 0.21 0.00 0.00 52.86 52.28 3kow s ASN 455 Cb -0.31 -0.69 -0.05 0.00 -0.55 0.00 0.00 41.25 39.65 3kow s ASN 455 CO 0.29 -0.36 1.98 -3.20 -2.79 0.00 0.00 177.10 173.02 3kow n ASN 456 N 4.99 3.40 0.01 -4.21 5.15 -0.45 -4.35 115.26 119.80 3kow n ASN 456 Ca -0.06 -2.77 -0.07 0.00 -0.60 0.00 0.00 54.58 51.08 3kow n ASN 456 Cb 0.44 -1.49 -0.12 0.00 -0.53 0.00 0.00 39.78 38.08 3kow n ASN 456 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3kow h VAL 457 N 4.85 1.08 -1.17 3.44 2.07 -1.95 -3.33 116.25 121.25 3kow h VAL 457 Ca 0.43 -2.84 0.33 0.00 0.82 0.00 0.00 66.70 65.44 3kow h VAL 457 Cb 0.75 2.52 -0.08 0.00 -1.52 0.00 0.00 31.29 32.95 3kow h VAL 457 CO 1.72 0.62 0.80 0.50 0.02 0.00 0.00 177.57 181.22 3kow h LYS 458 N 0.00 0.17 0.00 1.57 3.64 -1.80 -1.00 116.57 119.16 3kow h LYS 458 Ca -0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3kow h LYS 458 Cb 1.87 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 3kow h LYS 458 CO 0.09 0.11 0.00 0.00 -2.27 0.00 0.00 179.45 177.39 3kow n GLN 459 N -4.43 0.58 0.00 1.90 10.64 -1.25 -3.55 117.38 121.27 3kow n GLN 459 Ca 0.28 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.47 3kow n GLN 459 Cb 1.14 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 29.02 3kow n GLN 459 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3kow n TYR 460 N -1.08 0.00 -3.12 2.61 4.01 -0.43 -5.03 117.16 114.12 3kow n TYR 460 Ca 0.15 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.93 3kow n TYR 460 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3kow n TYR 460 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kow s ASP 461 N -2.66 -1.01 0.66 7.72 2.15 -0.86 -5.03 116.67 117.64 3kow s ASP 461 Ca 0.00 -0.00 0.28 0.00 0.43 0.00 0.00 52.55 53.25 3kow s ASP 461 Cb 0.00 1.56 1.51 0.00 -0.30 0.00 0.00 42.92 45.69 3kow s ASP 461 CO 0.00 -0.17 1.85 1.05 -0.17 0.00 0.00 175.17 177.73 3kow h GLU 462 N 7.34 0.00 -0.11 4.34 4.11 -1.80 0.12 114.58 128.60 3kow h GLU 462 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3kow h GLU 462 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3kow h GLU 462 CO 0.02 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.10 3kow n ALA 463 N -1.89 2.51 -0.46 1.06 0.00 -1.26 -3.91 120.51 116.56 3kow n ALA 463 Ca -0.01 -0.60 0.09 0.00 0.00 0.00 0.00 53.44 52.92 3kow n ALA 463 Cb 0.45 -1.02 0.28 0.00 0.00 0.00 0.00 19.45 19.16 3kow n ALA 463 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kow n LEU 464 N 0.67 3.95 0.32 0.00 4.32 0.43 -4.67 117.00 122.03 3kow n LEU 464 Ca 0.17 -2.24 0.21 0.00 -0.02 0.00 0.00 56.01 54.13 3kow n LEU 464 Cb 0.44 -0.46 1.05 0.00 -1.62 0.00 0.00 43.42 42.84 3kow n LEU 464 CO 0.15 0.83 1.13 0.58 -1.22 0.00 0.00 177.39 178.86 3kow h VAL 465 N 3.39 0.05 -0.32 4.08 2.07 -1.71 0.29 116.25 124.11 3kow h VAL 465 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3kow h VAL 465 Cb 1.12 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3kow h VAL 465 CO 0.10 0.01 0.00 -1.54 0.02 0.00 0.00 177.57 176.16 3kow n SER 466 N -3.15 2.86 -2.77 0.57 3.41 -1.26 -4.61 113.62 108.66 3kow n SER 466 Ca -0.02 -1.89 -0.03 0.00 -0.26 0.00 0.00 58.87 56.67 3kow n SER 466 Cb 0.14 -0.21 0.06 0.00 -0.26 0.00 0.00 64.21 63.94 3kow n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kow n GLU 467 N 0.71 1.53 0.01 4.33 -0.58 0.03 -4.96 120.64 121.70 3kow n GLU 467 Ca 0.12 -3.13 0.19 0.00 -0.42 0.00 0.00 57.16 53.92 3kow n GLU 467 Cb 0.43 -1.24 0.42 0.00 -0.57 0.00 0.00 31.44 30.47 3kow n GLU 467 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kow h PRO 468 N 2.50 0.00 0.00 3.49 0.11 -1.62 0.61 132.00 137.09 3kow h PRO 468 Ca -0.17 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 3kow h PRO 468 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3kow h PRO 468 CO 0.20 0.00 -0.17 0.66 -0.21 0.00 0.00 178.00 178.48 3kow h SER 469 N 0.00 0.00 0.07 -2.05 4.64 -1.68 -2.17 113.55 112.35 3kow h SER 469 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3kow h SER 469 Cb 2.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.32 3kow h SER 469 CO -0.00 0.17 0.00 0.11 -0.87 0.00 0.00 176.83 176.24 3kow h LYS 470 N 0.00 0.00 0.00 4.77 1.57 -0.02 0.26 116.57 123.15 3kow h LYS 470 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3kow h LYS 470 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3kow h LYS 470 CO 0.02 0.00 -0.15 1.25 -0.57 0.00 0.00 179.45 180.00 3kow h LEU 471 N 0.00 0.00 -2.78 2.94 7.12 -1.57 -2.89 115.31 118.12 3kow h LEU 471 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 3kow h LEU 471 Cb 0.03 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.13 3kow h LEU 471 CO 0.00 0.15 -0.29 2.30 -0.13 0.00 0.00 178.44 180.47 3kow n ILE 472 N -4.14 1.38 -2.14 4.05 -5.35 -0.84 -5.01 119.36 107.31 3kow n ILE 472 Ca -0.02 -1.85 -0.05 0.00 -0.27 0.00 0.00 62.75 60.56 3kow n ILE 472 Cb 0.23 0.02 0.02 0.00 -1.74 0.00 0.00 39.64 38.18 3kow n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kow n ASP 473 N -0.91 -3.47 -1.32 7.28 8.00 -0.98 -4.85 116.55 120.29 3kow n ASP 473 Ca 0.12 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3kow n ASP 473 Cb 0.70 -2.13 0.00 0.00 -0.02 0.00 0.00 41.12 39.67 3kow n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kow n GLY 474 N -1.38 -4.07 4.00 0.44 0.00 0.87 -4.90 105.19 100.15 3kow n GLY 474 Ca -0.03 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 3kow n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow h THR 476 N 0.19 0.15 0.00 0.00 1.35 -1.92 1.03 112.91 113.70 3kow h THR 476 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3kow h THR 476 Cb 1.29 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3kow h THR 476 CO 0.46 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.91 3kow n LEU 477 N -3.22 0.00 0.00 3.87 4.77 -1.26 -3.51 117.00 117.64 3kow n LEU 477 Ca 0.06 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3kow n LEU 477 Cb 0.74 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3kow n LEU 477 CO 0.19 -0.31 0.00 -0.62 -1.33 0.00 0.00 177.39 175.32 3kow n GLU 478 N -1.37 4.80 -3.56 3.23 1.02 0.33 -4.92 120.64 120.18 3kow n GLU 478 Ca 0.02 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.89 3kow n GLU 478 Cb 0.04 -0.40 -0.09 0.00 -0.02 0.00 0.00 31.44 30.97 3kow n GLU 478 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kow n VAL 479 N 0.00 1.92 -0.11 2.62 0.31 0.10 -4.93 118.33 118.24 3kow n VAL 479 Ca 0.00 -5.02 0.21 0.00 -0.01 0.00 0.00 64.34 59.52 3kow n VAL 479 Cb 0.00 -2.11 0.63 0.00 -0.91 0.00 0.00 33.84 31.45 3kow n VAL 479 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3kow h PRO 480 N 4.57 0.15 0.00 5.55 0.11 -1.82 0.40 132.00 140.96 3kow h PRO 480 Ca 0.18 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kow h PRO 480 Cb 0.70 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 3kow h PRO 480 CO 0.77 0.10 -0.02 0.93 -0.21 0.00 0.00 178.00 179.57 3kow h GLU 481 N 0.15 0.00 0.00 1.05 3.07 -1.91 0.06 114.58 117.00 3kow h GLU 481 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3kow h GLU 481 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 3kow h GLU 481 CO -0.05 0.02 0.00 1.63 -1.40 0.00 0.00 179.01 179.21 3kow n LYS 482 N -3.49 0.21 -1.96 2.33 5.02 0.14 -4.74 118.16 115.66 3kow n LYS 482 Ca -0.03 0.40 -0.43 0.00 -2.02 0.00 0.00 58.31 56.23 3kow n LYS 482 Cb 0.11 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.22 3kow n LYS 482 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kow s ILE 483 N -3.29 3.47 0.24 -0.18 1.01 0.00 -4.94 121.20 117.52 3kow s ILE 483 Ca 0.05 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.93 3kow s ILE 483 Cb 0.10 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 3kow s ILE 483 CO 0.43 -0.22 1.24 -0.69 0.00 0.00 0.00 174.94 175.70 3kow s VAL 484 N 5.75 3.22 -0.11 2.92 1.01 -1.26 -5.04 120.40 126.90 3kow s VAL 484 Ca 0.79 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.89 3kow s VAL 484 Cb -0.28 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3kow s VAL 484 CO 0.32 0.21 -0.15 -0.47 0.00 0.00 0.00 175.10 175.02 3kow s TYR 485 N -0.49 2.75 -0.13 5.22 5.04 -1.26 -5.11 117.35 123.37 3kow s TYR 485 Ca 0.51 -0.57 -0.02 0.00 -2.44 0.00 0.00 57.07 54.56 3kow s TYR 485 Cb -0.36 -1.77 -0.02 0.00 0.35 0.00 0.00 41.96 40.16 3kow s TYR 485 CO 0.42 -0.14 -0.07 0.42 -1.34 0.00 0.00 175.55 174.84 3kow s ILE 486 N 0.08 3.62 0.00 3.14 -1.09 -1.26 -5.10 121.20 120.59 3kow s ILE 486 Ca -0.06 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 3kow s ILE 486 Cb -0.15 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.19 3kow s ILE 486 CO 0.05 0.53 0.00 -0.67 -1.23 0.00 0.00 174.94 173.62 3kow n ASP 487 N 3.19 0.00 -4.78 3.58 2.03 -1.26 -4.31 116.55 115.00 3kow n ASP 487 Ca -0.18 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.76 3kow n ASP 487 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 3kow n ASP 487 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3kow s GLU 488 N 0.96 4.54 0.00 -0.67 0.41 -1.26 -2.86 118.70 119.82 3kow s GLU 488 Ca 0.00 1.22 0.20 0.00 -0.41 0.00 0.00 54.97 55.98 3kow s GLU 488 Cb 0.00 -2.94 -0.12 0.00 -1.78 0.00 0.00 34.13 29.28 3kow s GLU 488 CO 0.00 0.38 0.92 1.28 -0.49 0.00 0.00 175.26 177.35 3kow n LEU 489 N 0.86 1.38 -4.10 1.80 4.77 -1.26 -4.96 117.00 115.48 3kow n LEU 489 Ca -0.01 -0.62 -0.19 0.00 -0.03 0.00 0.00 56.01 55.17 3kow n LEU 489 Cb 0.50 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 3kow n LEU 489 CO 0.45 0.29 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.73 3kow s ASP 490 N -2.62 1.41 0.02 -1.43 -1.08 -1.26 -5.05 116.67 106.65 3kow s ASP 490 Ca 0.12 -0.41 0.14 0.00 -0.52 0.00 0.00 52.55 51.89 3kow s ASP 490 Cb 0.16 -0.09 -0.18 0.00 -1.46 0.00 0.00 42.92 41.35 3kow s ASP 490 CO 0.68 0.01 0.77 1.05 0.52 0.00 0.00 175.17 178.21 3kow h GLU 491 N 5.08 0.00 0.00 4.34 -0.00 -2.01 -3.42 114.58 118.57 3kow h GLU 491 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.00 3kow h GLU 491 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 3kow h GLU 491 CO 0.45 0.41 -0.76 0.09 -0.00 0.00 0.00 179.01 179.20 3kow n ASN 492 N -2.98 2.62 -4.12 3.06 4.13 -1.26 -4.76 115.26 111.94 3kow n ASN 492 Ca -0.13 -0.23 -0.37 0.00 1.68 0.00 0.00 54.58 55.53 3kow n ASN 492 Cb 0.94 1.09 -0.08 0.00 -1.54 0.00 0.00 39.78 40.20 3kow n ASN 492 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kow s ASP 493 N -1.96 5.69 0.17 6.41 -1.08 -1.26 -4.93 116.67 119.71 3kow s ASP 493 Ca -0.00 -3.21 -0.24 0.00 -0.52 0.00 0.00 52.55 48.58 3kow s ASP 493 Cb 0.02 -1.91 0.07 0.00 -1.46 0.00 0.00 42.92 39.64 3kow s ASP 493 CO 0.14 -0.31 0.97 0.54 0.52 0.00 0.00 175.17 177.03 3kow s ASN 494 N 0.47 -0.12 0.28 -0.34 2.20 -1.25 -4.19 114.94 111.98 3kow s ASN 494 Ca 0.21 -0.51 -0.02 0.00 -0.94 0.00 0.00 52.86 51.61 3kow s ASN 494 Cb -0.14 0.51 0.40 0.00 -2.00 0.00 0.00 41.25 40.02 3kow s ASN 494 CO -0.08 -0.96 1.85 1.62 -2.94 0.00 0.00 177.10 176.60 3kow h VAL 495 N 2.00 1.22 -0.37 3.54 3.04 -1.96 -1.67 116.25 122.06 3kow h VAL 495 Ca -0.25 -0.73 -0.04 0.00 -1.01 0.00 0.00 66.70 64.67 3kow h VAL 495 Cb 1.23 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 3kow h VAL 495 CO 0.29 0.28 0.06 0.78 -1.01 0.00 0.00 177.57 177.97 3kow h ASN 496 N 0.87 0.58 -0.86 3.17 2.35 -1.97 0.67 115.58 120.40 3kow h ASN 496 Ca 0.20 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3kow h ASN 496 Cb 0.21 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 3kow h ASN 496 CO -0.01 0.69 0.47 0.58 -1.65 0.00 0.00 177.43 177.51 3kow h VAL 497 N 0.45 1.25 -0.26 2.81 2.07 -1.85 -2.38 116.25 118.34 3kow h VAL 497 Ca 0.11 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3kow h VAL 497 Cb 0.36 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3kow h VAL 497 CO 0.01 0.29 0.13 -0.09 0.02 0.00 0.00 177.57 177.92 3kow h ARG 498 N 1.21 0.36 -0.44 1.57 2.43 -0.19 -2.99 114.38 116.32 3kow h ARG 498 Ca 0.30 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 3kow h ARG 498 Cb 0.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3kow h ARG 498 CO -0.05 0.35 -0.03 0.52 -1.51 0.00 0.00 179.97 179.25 3kow h MET 499 N 0.29 0.81 0.00 0.20 2.86 0.36 -2.48 114.93 116.96 3kow h MET 499 Ca 0.09 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3kow h MET 499 Cb 0.10 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3kow h MET 499 CO -0.01 0.89 0.00 -1.91 1.06 0.00 0.00 176.91 176.93 3kow n GLU 500 N -4.35 0.09 0.17 1.72 0.00 -0.90 -1.71 120.64 115.66 3kow n GLU 500 Ca -0.00 0.49 0.04 0.00 0.00 0.00 0.00 57.16 57.68 3kow n GLU 500 Cb 0.33 -1.74 0.28 0.00 0.00 0.00 0.00 31.44 30.31 3kow n GLU 500 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3kow h GLU 501 N 0.00 0.00 -0.03 5.31 4.22 -1.30 -3.23 114.58 119.55 3kow h GLU 501 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 3kow h GLU 501 Cb 0.13 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 3kow h GLU 501 CO 0.00 0.45 -0.59 0.25 -2.18 0.00 0.00 179.01 176.94 3kow n THR 502 N -3.61 1.93 -0.33 0.32 -2.24 -0.69 -4.73 114.28 104.93 3kow n THR 502 Ca -0.00 -2.99 0.14 0.00 -2.27 0.00 0.00 64.05 58.93 3kow n THR 502 Cb 0.54 -0.10 0.33 0.00 -2.10 0.00 0.00 70.33 69.00 3kow n THR 502 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kow h LYS 503 N 1.05 0.54 0.00 -0.78 1.57 -1.52 -2.09 116.57 115.34 3kow h LYS 503 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kow h LYS 503 Cb 1.14 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3kow h LYS 503 CO 0.04 0.36 0.07 1.05 -0.57 0.00 0.00 179.45 180.40 3kow h GLU 504 N 0.56 0.00 -0.27 3.15 4.11 -1.86 -2.35 114.58 117.92 3kow h GLU 504 Ca 0.59 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.95 3kow h GLU 504 Cb 1.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 3kow h GLU 504 CO -0.47 0.00 -0.03 1.19 0.07 0.00 0.00 179.01 179.78 3kow n PHE 505 N -2.85 0.90 -2.69 2.06 3.01 -0.79 -4.41 117.46 112.69 3kow n PHE 505 Ca -0.02 -1.17 -0.04 0.00 1.01 0.00 0.00 57.45 57.22 3kow n PHE 505 Cb 0.13 -0.37 0.11 0.00 -0.01 0.00 0.00 39.48 39.34 3kow n PHE 505 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3kow n ARG 506 N -0.85 1.31 -0.20 -1.08 0.63 -0.89 -4.91 116.66 110.68 3kow n ARG 506 Ca 0.25 -1.76 0.09 0.00 -0.92 0.00 0.00 57.85 55.51 3kow n ARG 506 Cb 0.92 -0.02 0.18 0.00 0.45 0.00 0.00 32.46 33.99 3kow n ARG 506 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3kow n SER 509 N -1.00 2.87 -3.86 6.15 2.88 -1.26 -5.11 113.62 114.29 3kow n SER 509 Ca -0.08 -3.00 -0.30 0.00 -1.33 0.00 0.00 58.87 54.16 3kow n SER 509 Cb 0.86 -0.45 0.24 0.00 -0.75 0.00 0.00 64.21 64.11 3kow n SER 509 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3kow s MET 510 N -2.75 -1.32 -0.11 -1.46 -1.94 -1.26 -3.02 119.30 107.43 3kow s MET 510 Ca 0.34 0.04 -0.30 0.00 -1.71 0.00 0.00 55.69 54.05 3kow s MET 510 Cb 0.29 -1.57 0.11 0.00 2.01 0.00 0.00 34.83 35.66 3kow s MET 510 CO 0.05 -3.80 0.88 -1.50 -0.01 0.00 0.00 175.02 170.64 3kow s ILE 511 N -2.88 0.00 -0.09 2.53 2.07 -1.13 -4.83 121.20 116.86 3kow s ILE 511 Ca 0.70 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.64 3kow s ILE 511 Cb -0.11 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.57 3kow s ILE 511 CO 0.57 0.00 0.84 -1.59 -1.91 0.00 0.00 174.94 172.85 3kow s LYS 512 N -1.26 0.84 0.30 3.50 -2.85 -1.26 -2.74 119.74 116.26 3kow s LYS 512 Ca -0.05 0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 54.76 3kow s LYS 512 Cb -0.00 0.39 -0.13 0.00 -2.06 0.00 0.00 37.83 36.03 3kow s LYS 512 CO 0.04 -0.28 1.34 -2.30 0.10 0.00 0.00 175.35 174.25 3kow n PRO 513 N 0.67 2.09 -4.35 1.78 -0.02 -1.26 -4.54 135.00 129.37 3kow n PRO 513 Ca -0.14 0.74 -0.18 0.00 -2.02 0.00 0.00 63.50 61.90 3kow n PRO 513 Cb 0.58 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 3kow n PRO 513 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3kow s GLU 514 N -1.25 1.49 0.00 -0.52 -1.05 -1.26 -0.55 118.70 115.56 3kow s GLU 514 Ca 0.61 -1.81 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 3kow s GLU 514 Cb -0.60 -0.41 0.00 0.00 -0.44 0.00 0.00 34.13 32.68 3kow s GLU 514 CO 0.57 -0.28 0.00 1.33 0.95 0.00 0.00 175.26 177.83 3kow n VAL 515 N -0.53 0.00 0.00 1.83 0.24 -1.26 -4.77 118.33 113.84 3kow n VAL 515 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3kow n VAL 515 Cb 0.66 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 3kow n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kow n GLU 516 N -1.04 0.00 -4.35 7.34 0.28 -1.26 -0.75 120.64 120.86 3kow n GLU 516 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 3kow n GLU 516 Cb 0.17 -0.24 -0.10 0.00 1.43 0.00 0.00 31.44 32.70 3kow n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3kow s TRP 517 N -1.78 2.81 -0.13 -1.84 0.51 -1.26 -4.76 118.94 112.49 3kow s TRP 517 Ca 0.00 -0.11 -0.36 0.00 -2.12 0.00 0.00 56.10 53.51 3kow s TRP 517 Cb 0.00 -1.52 -0.14 0.00 -0.81 0.00 0.00 33.47 31.01 3kow s TRP 517 CO 0.00 0.39 1.78 0.94 -0.51 0.00 0.00 176.95 179.55 3kow n GLN 518 N 1.11 1.75 -2.03 4.98 7.27 -1.26 -1.16 117.38 128.05 3kow n GLN 518 Ca -0.14 0.64 -0.16 0.00 0.07 0.00 0.00 57.00 57.41 3kow n GLN 518 Cb 0.52 -2.41 -0.03 0.00 2.41 0.00 0.00 30.24 30.73 3kow n GLN 518 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kow n ALA 519 N 5.71 -0.39 0.21 1.69 0.00 -1.26 -4.87 120.51 121.60 3kow n ALA 519 Ca 0.23 0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.94 3kow n ALA 519 Cb 0.23 -1.74 0.47 0.00 0.00 0.00 0.00 19.45 18.40 3kow n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kow n ASP 520 N -0.85 0.48 0.00 0.00 5.68 -0.31 -4.83 116.55 116.71 3kow n ASP 520 Ca -0.18 0.69 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 3kow n ASP 520 Cb 0.60 -0.76 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 3kow n ASP 520 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kow n GLY 521 N -0.94 0.65 3.76 6.12 0.00 0.29 -4.84 105.19 110.22 3kow n GLY 521 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3kow n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kow s THR 522 N -2.27 5.16 0.25 2.61 2.01 -0.99 0.25 115.64 122.66 3kow s THR 522 Ca 0.00 0.83 0.10 0.00 0.31 0.00 0.00 61.69 62.94 3kow s THR 522 Cb 0.00 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 3kow s THR 522 CO 0.00 0.42 -0.17 0.68 -0.69 0.00 0.00 174.62 174.86 3kow s VAL 523 N 0.05 2.16 -0.12 3.82 -7.23 0.40 -4.12 120.40 115.37 3kow s VAL 523 Ca 0.23 -2.32 -0.02 0.00 -1.81 0.00 0.00 61.98 58.07 3kow s VAL 523 Cb -0.15 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 3kow s VAL 523 CO 0.10 -0.47 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.15 3kow s LEU 524 N -3.43 3.21 -0.11 1.32 2.96 -1.26 -1.58 118.68 119.79 3kow s LEU 524 Ca 0.27 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 3kow s LEU 524 Cb -0.03 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.94 3kow s LEU 524 CO 0.12 0.25 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.09 3kow s LEU 525 N -0.15 1.31 -0.21 -0.68 2.96 0.21 -4.98 118.68 117.15 3kow s LEU 525 Ca 0.02 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3kow s LEU 525 Cb -0.13 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.69 3kow s LEU 525 CO 0.03 -0.09 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.97 3kow s THR 526 N 1.51 2.80 0.35 3.68 2.01 -1.26 -0.33 115.64 124.41 3kow s THR 526 Ca 0.02 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.36 3kow s THR 526 Cb -0.13 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 3kow s THR 526 CO -0.07 0.46 0.21 0.00 -0.69 0.00 0.00 174.62 174.53 3kow s MET 527 N 1.39 1.79 -0.21 4.92 0.23 -0.29 -4.99 119.30 122.13 3kow s MET 527 Ca 0.05 -2.06 -0.04 0.00 -1.03 0.00 0.00 55.69 52.61 3kow s MET 527 Cb -0.14 -0.06 0.08 0.00 -1.53 0.00 0.00 34.83 33.18 3kow s MET 527 CO -0.07 -0.56 0.12 0.12 -2.03 0.00 0.00 175.02 172.60 3kow s PHE 528 N -3.40 0.16 -0.09 3.16 5.36 -1.26 -0.64 117.98 121.26 3kow s PHE 528 Ca 0.34 -0.42 -0.10 0.00 -0.96 0.00 0.00 56.93 55.78 3kow s PHE 528 Cb 0.03 -0.71 -0.05 0.00 -0.34 0.00 0.00 43.02 41.95 3kow s PHE 528 CO 0.21 -0.63 0.25 -0.51 -1.46 0.00 0.00 175.22 173.08 3kow s LEU 529 N 2.15 4.39 -1.31 6.12 1.43 -0.75 -4.88 118.68 125.84 3kow s LEU 529 Ca 0.05 0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 53.60 3kow s LEU 529 Cb -0.16 -2.28 0.07 0.00 0.03 0.00 0.00 46.19 43.86 3kow s LEU 529 CO -0.18 0.33 1.77 -2.65 0.23 0.00 0.00 176.35 175.85 3kow n PRO 530 N 2.19 3.18 -3.61 1.29 -0.02 -1.26 -0.46 135.00 136.32 3kow n PRO 530 Ca -0.17 -3.24 -0.00 0.00 -2.02 0.00 0.00 63.50 58.07 3kow n PRO 530 Cb 0.54 -3.47 -0.01 0.00 -0.02 0.00 0.00 33.50 30.53 3kow n PRO 530 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3kow s THR 531 N 4.08 0.00 0.87 3.45 -1.32 -1.25 -4.74 115.64 116.73 3kow s THR 531 Ca 0.53 -0.13 -0.14 0.00 -1.21 0.00 0.00 61.69 60.74 3kow s THR 531 Cb 0.05 -1.66 -0.00 0.00 -1.51 0.00 0.00 72.50 69.37 3kow s THR 531 CO 0.07 0.00 0.38 -1.54 -2.21 0.00 0.00 174.62 171.32 3kow n SER 532 N -0.35 -1.99 0.21 8.08 3.41 -1.26 -3.69 113.62 118.04 3kow n SER 532 Ca -0.05 0.41 0.06 0.00 -0.26 0.00 0.00 58.87 59.03 3kow n SER 532 Cb 0.61 -1.19 0.46 0.00 -0.26 0.00 0.00 64.21 63.84 3kow n SER 532 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3kow h LYS 533 N -1.12 0.00 0.17 4.33 2.10 -1.94 -1.02 116.57 119.10 3kow h LYS 533 Ca -0.44 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 57.87 3kow h LYS 533 Cb 1.31 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.64 3kow h LYS 533 CO 0.37 0.29 -1.68 -0.09 -2.00 0.00 0.00 179.45 176.34 3kow h ARG 534 N 0.00 0.36 0.70 0.07 2.43 -1.99 -2.56 114.38 113.40 3kow h ARG 534 Ca -0.00 -0.62 -0.03 0.00 -0.81 0.00 0.00 59.98 58.51 3kow h ARG 534 Cb 0.62 0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3kow h ARG 534 CO 0.04 1.27 -0.34 0.28 -1.51 0.00 0.00 179.97 179.71 3kow h VAL 535 N 0.10 0.25 -0.90 0.20 2.07 -1.91 -3.00 116.25 113.07 3kow h VAL 535 Ca -0.31 -0.15 0.24 0.00 0.82 0.00 0.00 66.70 67.30 3kow h VAL 535 Cb 2.08 0.29 -0.13 0.00 -1.52 0.00 0.00 31.29 32.01 3kow h VAL 535 CO 0.18 0.02 0.35 0.00 0.02 0.00 0.00 177.57 178.13 3kow h ALA 536 N -0.82 1.42 -0.79 1.67 0.00 -1.32 0.25 119.26 119.67 3kow h ALA 536 Ca -0.10 0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.14 3kow h ALA 536 Cb 0.75 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3kow h ALA 536 CO 0.16 -0.41 0.52 1.49 0.00 0.00 0.00 179.25 181.00 3kow h GLU 537 N 0.32 0.50 0.00 0.00 4.81 -1.32 -0.38 114.58 118.52 3kow h GLU 537 Ca 0.57 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 59.48 3kow h GLU 537 Cb 1.14 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 3kow h GLU 537 CO -0.58 0.33 -1.85 1.19 -0.73 0.00 0.00 179.01 177.37 3kow n PHE 538 N -4.50 0.75 -0.01 0.92 3.72 0.62 -3.76 117.46 115.19 3kow n PHE 538 Ca 0.15 0.27 -0.03 0.00 -0.05 0.00 0.00 57.45 57.79 3kow n PHE 538 Cb 0.49 -1.12 0.22 0.00 -0.94 0.00 0.00 39.48 38.12 3kow n PHE 538 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kow h ALA 539 N 1.05 1.17 0.00 4.37 0.00 -0.38 -2.69 119.26 122.78 3kow h ALA 539 Ca -0.33 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 3kow h ALA 539 Cb 2.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 3kow h ALA 539 CO 0.06 0.53 -0.38 0.00 0.00 0.00 0.00 179.25 179.46 3kow h ALA 540 N 1.35 1.11 0.00 0.00 0.00 -1.20 -2.19 119.26 118.33 3kow h ALA 540 Ca 0.09 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 3kow h ALA 540 Cb 0.54 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3kow h ALA 540 CO 0.03 0.48 -0.69 0.82 0.00 0.00 0.00 179.25 179.89 3kow h ILE 541 N 0.00 1.42 0.10 0.00 1.08 -1.57 -1.88 117.51 116.65 3kow h ILE 541 Ca -0.00 -2.43 -0.00 0.00 -0.39 0.00 0.00 64.86 62.03 3kow h ILE 541 Cb 0.81 2.34 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 3kow h ILE 541 CO 0.05 0.68 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.81 3kow h GLU 542 N 0.00 -0.13 -0.51 2.37 4.39 -1.19 -2.36 114.58 117.16 3kow h GLU 542 Ca -0.01 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.77 3kow h GLU 542 Cb 1.28 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.86 3kow h GLU 542 CO 0.09 0.35 -0.48 0.74 -1.16 0.00 0.00 179.01 178.55 3kow h PHE 543 N -0.67 -1.42 -0.73 4.33 0.04 -1.50 -1.84 116.94 115.14 3kow h PHE 543 Ca -0.01 0.08 0.16 0.00 2.80 0.00 0.00 57.97 61.00 3kow h PHE 543 Cb 0.53 0.69 -0.13 0.00 2.20 0.00 0.00 35.95 39.24 3kow h PHE 543 CO 0.09 -0.45 -0.08 0.00 -0.60 0.00 0.00 178.31 177.27 3kow h ALA 544 N 0.38 0.63 -0.58 2.45 0.00 -1.35 0.21 119.26 121.00 3kow h ALA 544 Ca 0.14 0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.40 3kow h ALA 544 Cb 0.57 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3kow h ALA 544 CO -0.65 -0.42 0.20 0.87 0.00 0.00 0.00 179.25 179.25 3kow h LYS 545 N 0.05 0.36 0.00 0.00 1.79 -0.84 -2.04 116.57 115.89 3kow h LYS 545 Ca 0.38 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 3kow h LYS 545 Cb 0.63 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 3kow h LYS 545 CO -0.70 0.24 0.00 1.63 -1.08 0.00 0.00 179.45 179.54 3kow n LYS 546 N -5.02 0.47 -0.49 3.15 5.02 0.73 -0.73 118.16 121.29 3kow n LYS 546 Ca 0.08 0.03 0.08 0.00 -2.02 0.00 0.00 58.31 56.48 3kow n LYS 546 Cb 0.26 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.06 3kow n LYS 546 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kow n MET 547 N -1.06 3.40 -3.01 1.97 2.81 -0.78 -4.97 117.12 115.48 3kow n MET 547 Ca 0.12 -2.71 -0.15 0.00 -1.81 0.00 0.00 57.70 53.14 3kow n MET 547 Cb 0.07 -1.77 0.04 0.00 -0.71 0.00 0.00 33.22 30.85 3kow n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kow n ASN 548 N 0.41 -4.68 -4.86 7.83 3.02 0.09 -5.03 115.26 112.05 3kow n ASN 548 Ca 0.21 -0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.12 3kow n ASN 548 Cb 0.82 -3.39 -0.06 0.00 -0.61 0.00 0.00 39.78 36.54 3kow n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kow s LEU 549 N -4.80 4.41 0.12 3.41 1.43 -1.17 -4.31 118.68 117.78 3kow s LEU 549 Ca 0.30 0.77 0.05 0.00 -1.03 0.00 0.00 54.13 54.22 3kow s LEU 549 Cb -0.13 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3kow s LEU 549 CO 0.37 0.29 0.06 -1.61 0.23 0.00 0.00 176.35 175.69 3kow s GLU 550 N -1.38 2.70 -1.14 1.70 0.41 -0.29 -4.58 118.70 116.12 3kow s GLU 550 Ca 0.25 -0.85 -0.31 0.00 -0.41 0.00 0.00 54.97 53.65 3kow s GLU 550 Cb -0.15 -2.59 0.04 0.00 -1.78 0.00 0.00 34.13 29.66 3kow s GLU 550 CO 0.13 0.52 0.58 -0.85 -0.49 0.00 0.00 175.26 175.16 3kow n GLU 551 N 0.20 -0.30 -2.06 1.61 0.28 -1.26 -1.73 120.64 117.38 3kow n GLU 551 Ca -0.09 0.01 -0.42 0.00 -0.16 0.00 0.00 57.16 56.49 3kow n GLU 551 Cb 0.53 -2.24 -0.03 0.00 1.43 0.00 0.00 31.44 31.14 3kow n GLU 551 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3kow s VAL 552 N -3.69 3.43 -0.06 3.84 1.01 -1.26 -4.65 120.40 119.01 3kow s VAL 552 Ca 0.43 0.77 0.05 0.00 0.00 0.00 0.00 61.98 63.23 3kow s VAL 552 Cb -0.24 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 3kow s VAL 552 CO 0.90 -0.02 -0.22 -1.61 0.00 0.00 0.00 175.10 174.15 3kow s GLU 553 N 2.92 2.44 -0.04 2.72 2.02 -0.50 -5.00 118.70 123.27 3kow s GLU 553 Ca 0.70 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 54.58 3kow s GLU 553 Cb -0.35 -2.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.81 3kow s GLU 553 CO 0.29 0.29 1.48 0.08 0.02 0.00 0.00 175.26 177.43 3kow s VAL 554 N 0.03 3.70 -0.34 2.63 1.01 -1.26 -1.53 120.40 124.64 3kow s VAL 554 Ca -0.08 0.99 0.09 0.00 0.00 0.00 0.00 61.98 62.98 3kow s VAL 554 Cb -0.14 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 3kow s VAL 554 CO 0.04 -0.04 0.35 2.30 0.00 0.00 0.00 175.10 177.75 3kow n ILE 555 N 5.06 0.00 -3.66 2.22 -5.35 0.51 -4.94 119.36 113.20 3kow n ILE 555 Ca 0.15 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 62.24 3kow n ILE 555 Cb 0.43 0.86 -0.08 0.00 -1.74 0.00 0.00 39.64 39.12 3kow n ILE 555 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3kow s ASN 556 N -2.08 -0.73 -0.18 7.28 2.47 -1.07 -4.85 114.94 115.78 3kow s ASN 556 Ca 0.02 1.30 0.00 0.00 0.42 0.00 0.00 52.86 54.60 3kow s ASN 556 Cb 0.07 1.26 0.04 0.00 -1.45 0.00 0.00 41.25 41.16 3kow s ASN 556 CO 0.37 -0.22 -0.10 -0.13 -3.72 0.00 0.00 177.10 173.30 3kow s ARG 557 N 0.86 1.97 -0.16 0.43 0.52 -1.26 -1.71 118.95 119.60 3kow s ARG 557 Ca -0.04 -0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 54.44 3kow s ARG 557 Cb -0.05 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 3kow s ARG 557 CO -0.07 -0.38 -0.07 -1.21 0.02 0.00 0.00 175.30 173.59 3kow s GLU 558 N 1.47 3.52 0.04 3.54 2.02 -1.02 -5.02 118.70 123.25 3kow s GLU 558 Ca 0.01 -0.60 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 3kow s GLU 558 Cb -0.15 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 3kow s GLU 558 CO -0.09 0.16 1.09 0.08 0.02 0.00 0.00 175.26 176.52 3kow s VAL 559 N 0.55 4.42 -0.05 2.63 1.01 -1.26 -0.87 120.40 126.84 3kow s VAL 559 Ca -0.05 1.75 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 3kow s VAL 559 Cb -0.15 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3kow s VAL 559 CO 0.03 0.14 0.07 0.24 0.00 0.00 0.00 175.10 175.58 3kow h MET 560 N 6.73 -0.03 -2.88 2.72 0.00 -1.77 -3.47 114.93 116.22 3kow h MET 560 Ca -0.41 0.00 -0.16 0.00 0.00 0.00 0.00 59.70 59.13 3kow h MET 560 Cb 1.22 0.01 -0.27 0.00 0.00 0.00 0.00 31.60 32.55 3kow h MET 560 CO 0.78 -0.02 -0.39 -1.14 0.00 0.00 0.00 176.91 176.14 3kow s GLN 561 N -1.44 0.31 0.08 1.72 -0.44 -1.20 -5.02 119.66 113.67 3kow s GLN 561 Ca -0.01 0.59 -0.11 0.00 -2.50 0.00 0.00 55.36 53.34 3kow s GLN 561 Cb 0.00 -0.01 0.01 0.00 -1.64 0.00 0.00 33.01 31.37 3kow s GLN 561 CO 0.02 -0.13 0.65 -1.91 0.50 0.00 0.00 175.29 174.41 3kow n GLU 562 N 3.89 -0.16 0.04 1.67 2.13 -1.26 -0.51 120.64 126.44 3kow n GLU 562 Ca -0.21 0.64 -0.19 0.00 0.66 0.00 0.00 57.16 58.05 3kow n GLU 562 Cb 0.55 -0.94 -0.13 0.00 0.27 0.00 0.00 31.44 31.19 3kow n GLU 562 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kow h ALA 563 N 0.33 -0.01 0.00 4.31 0.00 -1.97 -3.35 119.26 118.56 3kow h ALA 563 Ca 0.09 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 3kow h ALA 563 Cb 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kow h ALA 563 CO -0.40 0.40 -0.23 0.93 0.00 0.00 0.00 179.25 179.95 3kow h GLU 564 N -0.17 0.00 0.00 0.00 4.39 -1.12 -3.34 114.58 114.34 3kow h GLU 564 Ca -0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3kow h GLU 564 Cb 1.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 3kow h GLU 564 CO 0.15 0.23 0.00 0.41 -1.16 0.00 0.00 179.01 178.64 3kow n GLY 565 N 0.14 3.38 2.99 -3.84 0.00 -1.07 -4.08 105.19 102.70 3kow n GLY 565 Ca 0.00 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 3kow n GLY 565 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kow s THR 566 N -2.00 0.87 0.25 2.61 2.01 0.40 -2.04 115.64 117.73 3kow s THR 566 Ca 0.00 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 3kow s THR 566 Cb 0.00 -0.80 -0.09 0.00 0.01 0.00 0.00 72.50 71.62 3kow s THR 566 CO 0.00 0.28 0.99 -0.60 -0.69 0.00 0.00 174.62 174.61 3kow s ARG 567 N 0.50 4.78 -0.02 4.92 3.52 -0.05 -1.81 118.95 130.79 3kow s ARG 567 Ca -0.09 1.60 0.01 0.00 -0.13 0.00 0.00 55.73 57.12 3kow s ARG 567 Cb -0.12 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 3kow s ARG 567 CO 0.02 0.41 -0.03 0.42 -0.81 0.00 0.00 175.30 175.31 3kow s ILE 568 N -1.15 0.35 -0.13 4.11 -1.09 0.18 -2.42 121.20 121.05 3kow s ILE 568 Ca 0.42 -0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.80 3kow s ILE 568 Cb -0.28 -0.37 0.00 0.00 -1.58 0.00 0.00 42.46 40.23 3kow s ILE 568 CO 0.35 0.15 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.39 3kow s GLU 569 N 0.60 3.08 0.11 2.79 2.02 -0.69 -1.14 118.70 125.47 3kow s GLU 569 Ca -0.07 -0.84 0.10 0.00 0.02 0.00 0.00 54.97 54.19 3kow s GLU 569 Cb -0.10 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 3kow s GLU 569 CO -0.01 0.08 -0.25 -0.51 0.02 0.00 0.00 175.26 174.59 3kow s LEU 570 N 0.61 2.36 -0.09 1.80 1.02 0.56 -0.36 118.68 124.57 3kow s LEU 570 Ca -0.11 -0.69 0.01 0.00 0.02 0.00 0.00 54.13 53.36 3kow s LEU 570 Cb -0.16 -1.28 -0.02 0.00 0.02 0.00 0.00 46.19 44.74 3kow s LEU 570 CO 0.03 0.19 -0.11 -1.59 0.02 0.00 0.00 176.35 174.89 3kow s LYS 571 N -1.93 2.94 0.16 1.70 -2.85 -0.58 -0.62 119.74 118.57 3kow s LYS 571 Ca 0.14 -0.64 -0.00 0.00 -1.00 0.00 0.00 55.97 54.47 3kow s LYS 571 Cb -0.10 -2.55 -0.04 0.00 -2.06 0.00 0.00 37.83 33.07 3kow s LYS 571 CO 0.06 0.47 0.07 0.20 0.10 0.00 0.00 175.35 176.25 3kow s GLY 572 N -0.31 1.20 -0.12 0.59 0.00 -0.61 -1.41 107.32 106.65 3kow s GLY 572 Ca 0.03 -1.58 -0.04 0.00 0.00 0.00 0.00 44.72 43.14 3kow s GLY 572 CO 0.03 -1.42 0.01 -1.60 0.00 0.00 0.00 173.10 170.12 3kow s ARG 573 N -4.05 3.35 -0.26 2.90 3.52 -0.70 -0.45 118.95 123.25 3kow s ARG 573 Ca 0.29 -0.40 -0.20 0.00 -0.13 0.00 0.00 55.73 55.29 3kow s ARG 573 Cb 0.07 -2.92 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 3kow s ARG 573 CO 0.06 0.53 0.62 0.08 -0.81 0.00 0.00 175.30 175.77 3kow s VAL 574 N -0.40 4.99 -2.07 7.11 1.01 0.68 -1.14 120.40 130.58 3kow s VAL 574 Ca 0.08 1.06 0.15 0.00 0.00 0.00 0.00 61.98 63.27 3kow s VAL 574 Cb -0.12 -3.93 0.40 0.00 0.00 0.00 0.00 36.38 32.72 3kow s VAL 574 CO 0.02 0.01 1.50 -0.81 0.00 0.00 0.00 175.10 175.82 3kow n PRO 575 N 5.72 1.27 -4.18 2.72 -0.05 -1.26 -4.73 135.00 134.49 3kow n PRO 575 Ca -0.01 -0.41 -0.11 0.00 -0.05 0.00 0.00 63.50 62.91 3kow n PRO 575 Cb 0.49 -1.27 -0.10 0.00 -0.05 0.00 0.00 33.50 32.57 3kow n PRO 575 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 3kow s PHE 576 N -1.90 0.97 0.27 0.54 -0.12 -1.26 -5.17 117.98 111.31 3kow s PHE 576 Ca 0.24 -1.06 0.03 0.00 -0.05 0.00 0.00 56.93 56.09 3kow s PHE 576 Cb 0.12 -0.56 0.03 0.00 -0.63 0.00 0.00 43.02 41.98 3kow s PHE 576 CO 0.18 -0.30 0.28 0.43 -0.05 0.00 0.00 175.22 175.76 3kow n SER 577 N -0.12 1.48 -3.66 1.98 7.64 -1.26 -4.87 113.62 114.81 3kow n SER 577 Ca -0.08 -1.84 -0.09 0.00 1.01 0.00 0.00 58.87 57.87 3kow n SER 577 Cb 0.63 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 3kow n SER 577 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kow s ILE 578 N -1.06 -0.55 -0.01 0.44 1.09 -1.11 -4.99 121.20 115.01 3kow s ILE 578 Ca 0.21 0.16 -0.30 0.00 -1.10 0.00 0.00 60.65 59.62 3kow s ILE 578 Cb -0.02 -0.66 -0.03 0.00 -1.06 0.00 0.00 42.46 40.69 3kow s ILE 578 CO 0.13 0.07 1.03 -0.62 -0.10 0.00 0.00 174.94 175.45 3kow s ASP 579 N 2.42 7.28 0.25 3.58 2.15 -1.26 -2.86 116.67 128.23 3kow s ASP 579 Ca -0.03 1.70 -0.04 0.00 0.43 0.00 0.00 52.55 54.61 3kow s ASP 579 Cb -0.11 -2.57 0.39 0.00 -0.30 0.00 0.00 42.92 40.33 3kow s ASP 579 CO -0.13 -0.35 1.83 0.40 -0.17 0.00 0.00 175.17 176.76 3kow h ILE 580 N 4.82 0.97 0.00 4.11 1.08 -1.86 -2.11 117.51 124.52 3kow h ILE 580 Ca -0.39 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 3kow h ILE 580 Cb 1.20 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 3kow h ILE 580 CO 0.79 0.16 0.00 0.59 -0.69 0.00 0.00 178.15 179.00 3kow n ASN 581 N -4.67 0.43 -1.18 1.72 3.02 -1.26 -1.23 115.26 112.09 3kow n ASN 581 Ca 0.14 0.63 0.09 0.00 -0.03 0.00 0.00 54.58 55.41 3kow n ASN 581 Cb 0.24 -0.72 0.27 0.00 -0.61 0.00 0.00 39.78 38.97 3kow n ASN 581 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kow n SER 582 N -2.01 3.43 -4.76 6.41 7.64 -0.79 -4.90 113.62 118.63 3kow n SER 582 Ca 0.01 -2.12 -0.38 0.00 1.01 0.00 0.00 58.87 57.39 3kow n SER 582 Cb 0.15 -0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 62.86 3kow n SER 582 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kow s LEU 583 N -1.19 4.38 -0.26 -3.43 1.43 -0.37 -5.02 118.68 114.22 3kow s LEU 583 Ca 0.40 1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 54.37 3kow s LEU 583 Cb 0.23 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 3kow s LEU 583 CO 0.25 0.11 0.43 -0.69 0.23 0.00 0.00 176.35 176.67 3kow s VAL 584 N -0.09 5.14 -0.16 -1.59 1.01 -1.26 -5.05 120.40 118.39 3kow s VAL 584 Ca 0.28 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.93 3kow s VAL 584 Cb -0.17 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.51 3kow s VAL 584 CO 0.14 0.13 0.03 -0.63 0.00 0.00 0.00 175.10 174.78 3kow s ILE 585 N 2.12 0.46 0.65 2.22 1.01 -1.26 -5.14 121.20 121.26 3kow s ILE 585 Ca 0.18 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 3kow s ILE 585 Cb -0.16 -0.87 0.16 0.00 0.01 0.00 0.00 42.46 41.60 3kow s ILE 585 CO 0.10 -0.08 0.51 -2.65 0.00 0.00 0.00 174.94 172.82 3kow n PRO 586 N 5.09 -2.45 0.00 2.79 -0.02 -1.26 -5.31 135.00 133.84 3kow n PRO 586 Ca -0.08 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.56 3kow n PRO 586 Cb 0.48 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 3kow n PRO 586 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kow n PRO 587 N -3.37 0.00 0.00 0.52 -0.05 -1.26 -5.32 135.00 125.52 3kow n PRO 587 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.52 3kow n PRO 587 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.74 3kow n PRO 587 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 3kow n ILE 591 N 0.00 0.00 -1.92 0.52 5.41 -1.26 -5.37 119.36 116.74 3kow n ILE 591 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 3kow n ILE 591 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 38.95 3kow n ILE 591 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3kow s LEU 592 N 0.00 3.37 -0.08 1.39 1.43 -1.26 -5.07 118.68 118.46 3kow s LEU 592 Ca 0.00 1.69 -0.07 0.00 -1.03 0.00 0.00 54.13 54.72 3kow s LEU 592 Cb 0.00 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 3kow s LEU 592 CO 0.00 -1.16 0.17 -0.94 0.23 0.00 0.00 176.35 174.65 3kow s SER 593 N -3.26 6.42 0.56 2.29 1.04 -1.26 -4.95 113.70 114.54 3kow s SER 593 Ca 0.60 0.49 0.40 0.00 0.48 0.00 0.00 55.95 57.92 3kow s SER 593 Cb -0.14 -2.07 1.55 0.00 0.10 0.00 0.00 66.02 65.46 3kow s SER 593 CO 0.43 0.37 1.69 1.05 0.98 0.00 0.00 173.24 177.76 3kow h GLU 594 N 4.69 0.00 0.02 4.02 9.09 -1.99 1.30 114.58 131.71 3kow h GLU 594 Ca -0.53 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 58.67 3kow h GLU 594 Cb 1.22 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.30 3kow h GLU 594 CO 0.61 0.00 -0.96 -0.44 0.05 0.00 0.00 179.01 178.27 3kow h ASP 595 N 0.00 0.12 -0.33 3.06 3.32 -1.99 -2.35 116.42 118.25 3kow h ASP 595 Ca 0.65 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.54 3kow h ASP 595 Cb 2.74 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 42.24 3kow h ASP 595 CO -0.01 1.01 -0.00 -0.33 -1.72 0.00 0.00 179.24 178.19 3kow h GLU 596 N 0.04 0.58 -0.48 3.56 3.07 0.13 -2.88 114.58 118.59 3kow h GLU 596 Ca -0.04 -0.19 -0.09 0.00 -0.50 0.00 0.00 59.36 58.55 3kow h GLU 596 Cb 1.66 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.50 3kow h GLU 596 CO 0.14 0.71 -0.05 0.82 -1.40 0.00 0.00 179.01 179.23 3kow h ILE 597 N 0.39 1.27 -0.91 3.13 2.04 -1.28 -2.24 117.51 119.90 3kow h ILE 597 Ca 0.09 -1.14 0.08 0.00 1.00 0.00 0.00 64.86 64.89 3kow h ILE 597 Cb 0.45 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3kow h ILE 597 CO 0.02 0.40 0.59 -0.09 0.00 0.00 0.00 178.15 179.06 3kow h ARG 598 N 0.74 0.93 -0.19 2.37 2.43 -1.46 -2.28 114.38 116.93 3kow h ARG 598 Ca 0.13 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 3kow h ARG 598 Cb 0.58 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3kow h ARG 598 CO 0.03 0.62 -0.58 0.93 -1.51 0.00 0.00 179.97 179.46 3kow h GLU 599 N 0.96 0.62 -0.22 0.20 5.08 -1.25 -2.58 114.58 117.39 3kow h GLU 599 Ca 0.41 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3kow h GLU 599 Cb 0.32 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3kow h GLU 599 CO -0.17 1.03 0.11 0.22 -1.00 0.00 0.00 179.01 179.20 3kow h ASP 600 N 0.47 0.29 0.31 1.42 3.58 -0.97 -2.06 116.42 119.46 3kow h ASP 600 Ca 0.00 -0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 3kow h ASP 600 Cb 1.15 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 3kow h ASP 600 CO 0.11 0.33 -0.35 0.40 -2.88 0.00 0.00 179.24 176.86 3kow h ILE 601 N 0.23 1.26 -0.52 2.25 2.04 -1.43 -1.23 117.51 120.11 3kow h ILE 601 Ca 0.08 -1.24 -0.12 0.00 1.00 0.00 0.00 64.86 64.58 3kow h ILE 601 Cb 0.11 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3kow h ILE 601 CO -0.01 0.36 -0.14 -0.33 0.00 0.00 0.00 178.15 178.03 3kow h GLU 602 N 0.06 1.01 0.00 2.37 5.08 -1.41 -3.05 114.58 118.64 3kow h GLU 602 Ca 0.01 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3kow h GLU 602 Cb 0.64 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3kow h GLU 602 CO 0.05 1.07 0.00 1.17 -1.00 0.00 0.00 179.01 180.30 3kow n LYS 603 N -4.13 0.00 -4.04 2.33 0.00 -0.68 -4.60 118.16 107.03 3kow n LYS 603 Ca 0.01 0.45 -0.35 0.00 0.00 0.00 0.00 58.31 58.42 3kow n LYS 603 Cb 0.42 -1.41 -0.13 0.00 0.00 0.00 0.00 35.03 33.91 3kow n LYS 603 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3kow s THR 604 N -2.65 3.98 0.83 3.15 2.01 -0.55 -5.11 115.64 117.30 3kow s THR 604 Ca 0.00 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 3kow s THR 604 Cb 0.00 -2.80 0.10 0.00 0.01 0.00 0.00 72.50 69.80 3kow s THR 604 CO 0.00 0.42 1.13 -2.84 -0.69 0.00 0.00 174.62 172.64 3kow s PRO 605 N 1.04 1.67 -0.14 4.92 0.02 -1.15 -4.20 135.00 137.16 3kow s PRO 605 Ca 0.02 1.42 0.01 0.00 0.02 0.00 0.00 61.00 62.47 3kow s PRO 605 Cb -0.14 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.58 3kow s PRO 605 CO 0.02 -2.12 -0.15 -1.17 -0.33 0.00 0.00 177.00 173.25 3kow s LEU 606 N -6.13 1.70 -0.12 -5.54 2.96 -1.26 -5.05 118.68 105.24 3kow s LEU 606 Ca 0.65 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3kow s LEU 606 Cb -0.21 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 3kow s LEU 606 CO 0.55 -0.04 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.75 3kow s LYS 607 N 1.35 3.29 -0.01 1.98 2.20 -1.26 -1.34 119.74 125.96 3kow s LYS 607 Ca 0.02 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 3kow s LYS 607 Cb -0.13 -2.80 -0.00 0.00 -1.51 0.00 0.00 37.83 33.39 3kow s LYS 607 CO -0.08 0.44 -0.07 0.42 -0.36 0.00 0.00 175.35 175.70 3kow s ILE 608 N -0.18 0.54 -0.16 5.43 1.09 -0.29 -1.77 121.20 125.87 3kow s ILE 608 Ca 0.03 -0.27 -0.06 0.00 -1.10 0.00 0.00 60.65 59.25 3kow s ILE 608 Cb -0.13 -0.47 -0.04 0.00 -1.06 0.00 0.00 42.46 40.76 3kow s ILE 608 CO 0.02 0.16 0.04 0.68 -0.10 0.00 0.00 174.94 175.75 3kow s VAL 609 N -0.01 4.61 0.03 2.92 -7.23 -0.96 -0.35 120.40 119.40 3kow s VAL 609 Ca 0.01 -0.10 0.05 0.00 -1.81 0.00 0.00 61.98 60.13 3kow s VAL 609 Cb -0.04 -3.05 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 3kow s VAL 609 CO -0.00 0.50 -0.16 0.00 -0.31 0.00 0.00 175.10 175.12 3kow s ALA 610 N 0.10 1.36 -0.15 1.32 0.00 -0.54 -0.73 121.76 123.12 3kow s ALA 610 Ca 0.04 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 3kow s ALA 610 Cb -0.12 -0.26 0.10 0.00 0.00 0.00 0.00 23.12 22.83 3kow s ALA 610 CO 0.01 0.29 0.88 0.00 0.00 0.00 0.00 175.76 176.94 3kow s ALA 611 N -0.69 -1.87 -0.09 0.00 0.00 -0.78 -1.48 121.76 116.84 3kow s ALA 611 Ca 0.04 1.58 -0.27 0.00 0.00 0.00 0.00 51.96 53.31 3kow s ALA 611 Cb -0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 3kow s ALA 611 CO 0.01 -0.32 0.87 0.99 0.00 0.00 0.00 175.76 177.31 3kow s THR 612 N -0.83 4.90 0.13 0.00 2.01 -1.02 0.68 115.64 121.52 3kow s THR 612 Ca -0.04 1.79 0.03 0.00 0.31 0.00 0.00 61.69 63.78 3kow s THR 612 Cb -0.01 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 3kow s THR 612 CO 0.03 0.11 0.18 -0.69 -0.69 0.00 0.00 174.62 173.57 3kow s VAL 613 N 1.48 4.87 0.00 3.82 1.01 -0.62 -2.84 120.40 128.12 3kow s VAL 613 Ca 0.44 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3kow s VAL 613 Cb -0.18 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3kow s VAL 613 CO 0.19 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3kow n GLY 614 N -0.19 0.51 1.22 4.51 0.00 -0.91 -3.19 105.19 107.15 3kow n GLY 614 Ca -0.08 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.12 3kow n GLY 614 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kow n GLU 615 N 8.32 2.65 -2.24 1.61 1.02 -1.26 -3.66 120.64 127.09 3kow n GLU 615 Ca 0.00 -2.49 -0.42 0.00 -0.02 0.00 0.00 57.16 54.23 3kow n GLU 615 Cb 0.00 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 29.87 3kow n GLU 615 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kow s ASP 616 N -1.12 6.88 0.00 1.62 3.68 -1.19 -4.77 116.67 121.77 3kow s ASP 616 Ca 0.43 2.18 0.17 0.00 2.13 0.00 0.00 52.55 57.46 3kow s ASP 616 Cb 0.23 -2.57 0.17 0.00 -1.45 0.00 0.00 42.92 39.30 3kow s ASP 616 CO 0.31 -0.65 1.09 -0.62 0.13 0.00 0.00 175.17 175.43 3kow n GLU 617 N 4.58 1.56 -2.33 4.34 -0.58 -1.26 -0.70 120.64 126.25 3kow n GLU 617 Ca 0.12 -1.62 -0.42 0.00 -0.42 0.00 0.00 57.16 54.82 3kow n GLU 617 Cb 0.44 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.94 3kow n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3kow s HIS 618 N -1.40 2.21 -0.38 -0.32 3.76 -1.26 -4.86 115.29 113.03 3kow s HIS 618 Ca 0.22 0.53 0.21 0.00 -0.15 0.00 0.00 55.06 55.87 3kow s HIS 618 Cb 0.15 -4.34 -0.30 0.00 1.11 0.00 0.00 32.58 29.20 3kow s HIS 618 CO 0.22 -2.08 0.63 -1.13 -0.85 0.00 0.00 174.74 171.53 3kow n SER 619 N 9.83 0.38 -0.08 1.40 3.41 -1.26 -4.70 113.62 122.61 3kow n SER 619 Ca 0.14 -0.36 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 3kow n SER 619 Cb 0.49 1.63 -0.05 0.00 -0.26 0.00 0.00 64.21 66.03 3kow n SER 619 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kow h VAL 620 N 0.00 1.31 -0.39 -3.33 2.07 -1.98 -2.37 116.25 111.56 3kow h VAL 620 Ca 0.00 -1.23 0.08 0.00 0.82 0.00 0.00 66.70 66.37 3kow h VAL 620 Cb 0.81 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 32.11 3kow h VAL 620 CO 0.00 0.38 -0.14 1.23 0.02 0.00 0.00 177.57 179.06 3kow h GLY 621 N 0.22 0.21 0.95 2.17 0.00 -1.99 0.57 103.07 105.20 3kow h GLY 621 Ca 0.05 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 3kow h GLY 621 CO 0.04 -0.17 0.17 -2.00 0.00 0.00 0.00 176.54 174.58 3kow h LEU 622 N -0.05 0.62 -1.63 3.11 5.85 -1.84 -2.43 115.31 118.93 3kow h LEU 622 Ca 0.19 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3kow h LEU 622 Cb 0.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3kow h LEU 622 CO -0.43 0.63 -0.21 0.03 -0.34 0.00 0.00 178.44 178.12 3kow h ARG 623 N 0.57 0.00 -0.10 1.25 3.08 -0.84 -2.07 114.38 116.27 3kow h ARG 623 Ca 0.15 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 3kow h ARG 623 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3kow h ARG 623 CO -0.01 0.21 -0.26 1.49 -1.07 0.00 0.00 179.97 180.33 3kow h GLU 624 N 0.00 0.18 -0.36 0.04 4.57 0.64 -0.42 114.58 119.22 3kow h GLU 624 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3kow h GLU 624 Cb 0.42 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3kow h GLU 624 CO 0.03 0.43 0.00 1.33 -1.18 0.00 0.00 179.01 179.62 3kow n VAL 625 N -4.17 0.47 -0.04 0.32 0.24 -0.80 -4.31 118.33 110.04 3kow n VAL 625 Ca -0.01 -0.61 -0.10 0.00 -2.04 0.00 0.00 64.34 61.58 3kow n VAL 625 Cb 0.35 0.60 -0.03 0.00 -1.47 0.00 0.00 33.84 33.29 3kow n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3kow n ILE 626 N 1.00 1.02 -1.45 1.34 5.41 -0.99 -1.12 119.36 124.56 3kow n ILE 626 Ca 0.18 0.03 -0.37 0.00 1.00 0.00 0.00 62.75 63.59 3kow n ILE 626 Cb 0.47 -1.80 0.06 0.00 -0.71 0.00 0.00 39.64 37.66 3kow n ILE 626 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kow n ASP 627 N -3.76 -0.29 0.07 4.38 8.00 -0.20 -2.83 116.55 121.92 3kow n ASP 627 Ca -0.17 0.71 -0.11 0.00 0.71 0.00 0.00 54.79 55.93 3kow n ASP 627 Cb 0.48 -1.29 -0.01 0.00 -0.02 0.00 0.00 41.12 40.29 3kow n ASP 627 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kow h ILE 628 N 0.09 1.41 -0.99 0.53 2.10 -1.89 -0.85 117.51 117.91 3kow h ILE 628 Ca -0.47 -2.37 0.17 0.00 1.08 0.00 0.00 64.86 63.28 3kow h ILE 628 Cb 1.37 2.31 -0.17 0.00 -1.09 0.00 0.00 36.82 39.24 3kow h ILE 628 CO 0.47 0.70 -0.34 0.50 -1.08 0.00 0.00 178.15 178.41 3kow h LYS 629 N 0.22 -0.00 -0.66 2.19 1.63 -1.94 0.49 116.57 118.49 3kow h LYS 629 Ca -0.05 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.33 3kow h LYS 629 Cb 1.46 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 32.85 3kow h LYS 629 CO 0.14 -0.00 0.03 0.72 -3.45 0.00 0.00 179.45 176.89 3kow n HIS 630 N -5.53 2.17 -2.22 1.91 8.25 -1.26 -4.95 115.22 113.59 3kow n HIS 630 Ca 0.12 -2.10 -0.03 0.00 -0.26 0.00 0.00 57.72 55.46 3kow n HIS 630 Cb 0.43 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.83 3kow n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kow n GLY 631 N -0.99 0.42 3.70 -1.41 0.00 0.16 -4.60 105.19 102.46 3kow n GLY 631 Ca 0.45 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 3kow n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kow s GLY 632 N -2.93 1.63 0.32 -0.02 0.00 -0.32 -3.18 107.32 102.81 3kow s GLY 632 Ca 0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 3kow s GLY 632 CO 0.03 -0.12 1.97 0.16 0.00 0.00 0.00 173.10 175.14 3kow h ILE 633 N -2.21 1.17 -0.03 0.90 3.07 -1.06 -2.19 117.51 117.14 3kow h ILE 633 Ca -0.46 -0.35 0.01 0.00 1.55 0.00 0.00 64.86 65.61 3kow h ILE 633 Cb 1.29 0.05 -0.00 0.00 -0.27 0.00 0.00 36.82 37.89 3kow h ILE 633 CO 0.39 0.19 0.07 1.05 -1.05 0.00 0.00 178.15 178.80 3kow h GLU 634 N 1.02 0.00 -0.97 0.16 4.11 -1.73 0.26 114.58 117.43 3kow h GLU 634 Ca 0.30 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.88 3kow h GLU 634 Cb -0.05 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.12 3kow h GLU 634 CO -0.08 0.00 0.61 -0.22 0.07 0.00 0.00 179.01 179.39 3kow h LYS 635 N 0.00 0.80 -0.25 1.06 3.64 -1.62 -0.13 116.57 120.07 3kow h LYS 635 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kow h LYS 635 Cb 0.16 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3kow h LYS 635 CO -0.00 0.53 0.00 0.66 -2.27 0.00 0.00 179.45 178.37 3kow n TYR 636 N -4.63 0.32 -0.59 1.91 4.01 0.91 -4.92 117.16 114.18 3kow n TYR 636 Ca 0.20 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3kow n TYR 636 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 3kow n TYR 636 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kow n GLY 637 N 1.14 0.70 3.74 2.72 0.00 -0.06 -4.65 105.19 108.78 3kow n GLY 637 Ca 0.15 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3kow n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kow s VAL 638 N -2.00 2.48 -0.27 1.61 1.01 -1.24 -4.74 120.40 117.25 3kow s VAL 638 Ca 0.00 0.38 -0.26 0.00 0.00 0.00 0.00 61.98 62.10 3kow s VAL 638 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3kow s VAL 638 CO 0.00 0.05 0.91 -0.70 0.00 0.00 0.00 175.10 175.36 3kow s GLU 639 N 0.16 4.13 -0.34 2.72 2.12 -0.45 -4.42 118.70 122.62 3kow s GLU 639 Ca 0.64 0.98 0.04 0.00 0.36 0.00 0.00 54.97 56.99 3kow s GLU 639 Cb -0.44 -3.68 0.10 0.00 0.26 0.00 0.00 34.13 30.37 3kow s GLU 639 CO 0.40 -0.65 0.05 0.08 -0.54 0.00 0.00 175.26 174.60 3kow s VAL 640 N 3.10 2.15 -0.30 3.70 1.01 -1.26 -1.13 120.40 127.66 3kow s VAL 640 Ca 0.38 -2.25 -0.29 0.00 0.00 0.00 0.00 61.98 59.82 3kow s VAL 640 Cb -0.14 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3kow s VAL 640 CO 0.10 -0.60 1.22 -1.00 0.00 0.00 0.00 175.10 174.82 3kow s HIS 641 N 0.97 2.84 -0.16 5.22 3.76 0.52 -4.94 115.29 123.50 3kow s HIS 641 Ca 0.11 0.97 -0.05 0.00 -0.15 0.00 0.00 55.06 55.94 3kow s HIS 641 Cb -0.19 -3.83 -0.03 0.00 1.11 0.00 0.00 32.58 29.63 3kow s HIS 641 CO -0.10 -1.41 0.02 -0.47 -0.85 0.00 0.00 174.74 171.93 3kow s TYR 642 N 4.10 3.15 -1.53 1.40 5.04 -1.26 -1.46 117.35 126.78 3kow s TYR 642 Ca 0.53 -0.06 0.19 0.00 -2.44 0.00 0.00 57.07 55.29 3kow s TYR 642 Cb -0.15 -2.00 -0.06 0.00 0.35 0.00 0.00 41.96 40.10 3kow s TYR 642 CO 0.20 0.12 0.93 1.28 -1.34 0.00 0.00 175.55 176.74 3kow n LEU 643 N 3.37 1.58 0.00 6.97 4.77 -0.55 -4.97 117.00 128.17 3kow n LEU 643 Ca -0.17 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 3kow n LEU 643 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3kow n LEU 643 CO 0.34 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3kow n GLY 644 N 1.34 -0.11 3.45 -0.72 0.00 -1.26 -4.93 105.19 102.96 3kow n GLY 644 Ca 0.07 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 3kow n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kow s THR 645 N 0.00 1.25 -1.35 2.61 -4.23 -1.26 -2.42 115.64 110.23 3kow s THR 645 Ca 0.00 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.49 3kow s THR 645 Cb 0.00 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 71.08 3kow s THR 645 CO 0.00 -0.04 0.54 -1.20 -0.54 0.00 0.00 174.62 173.38 3kow n SER 646 N -0.68 -0.91 -4.61 3.99 7.64 0.13 -4.96 113.62 114.22 3kow n SER 646 Ca -0.03 -0.94 -0.37 0.00 1.01 0.00 0.00 58.87 58.54 3kow n SER 646 Cb 0.66 -3.43 -0.10 0.00 -1.01 0.00 0.00 64.21 60.33 3kow n SER 646 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kow s VAL 647 N -3.83 5.18 0.29 0.44 1.01 -1.13 -4.85 120.40 117.51 3kow s VAL 647 Ca 0.03 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 3kow s VAL 647 Cb -0.01 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.83 3kow s VAL 647 CO 0.86 0.32 1.47 -2.84 0.00 0.00 0.00 175.10 174.91 3kow s PRO 648 N 1.32 4.21 0.34 2.72 0.02 -1.26 -2.14 135.00 140.22 3kow s PRO 648 Ca 0.07 2.41 0.13 0.00 0.02 0.00 0.00 61.00 63.62 3kow s PRO 648 Cb -0.14 -3.06 1.10 0.00 0.02 0.00 0.00 34.50 32.41 3kow s PRO 648 CO 0.06 -0.47 1.58 0.28 -0.33 0.00 0.00 177.00 178.13 3kow h VAL 649 N 3.35 0.02 0.01 3.83 2.07 -1.96 -0.62 116.25 122.94 3kow h VAL 649 Ca -0.47 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.05 3kow h VAL 649 Cb 1.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3kow h VAL 649 CO 0.75 0.00 -0.23 -0.08 0.02 0.00 0.00 177.57 178.02 3kow h GLU 650 N 0.01 -0.29 -1.12 1.57 4.57 -1.99 -2.14 114.58 115.20 3kow h GLU 650 Ca 0.74 0.02 0.32 0.00 -1.18 0.00 0.00 59.36 59.26 3kow h GLU 650 Cb 1.82 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 30.42 3kow h GLU 650 CO -0.83 -0.19 0.80 0.87 -1.18 0.00 0.00 179.01 178.47 3kow h LYS 651 N -0.30 0.03 0.02 1.92 6.56 -1.48 0.58 116.57 123.91 3kow h LYS 651 Ca 0.00 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3kow h LYS 651 Cb 0.32 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 3kow h LYS 651 CO -0.15 0.02 -0.01 1.25 -2.06 0.00 0.00 179.45 178.50 3kow h LEU 652 N 0.03 -0.03 -1.01 2.94 5.85 -1.14 -2.58 115.31 119.38 3kow h LEU 652 Ca 0.54 -0.63 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 3kow h LEU 652 Cb 2.09 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 43.10 3kow h LEU 652 CO -0.03 0.63 0.09 0.58 -0.34 0.00 0.00 178.44 179.37 3kow h VAL 653 N -0.71 1.23 -0.69 1.05 2.07 -0.75 -2.46 116.25 115.98 3kow h VAL 653 Ca -0.00 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.72 3kow h VAL 653 Cb 0.65 0.74 -0.10 0.00 -1.52 0.00 0.00 31.29 31.07 3kow h VAL 653 CO 0.01 0.32 -0.53 0.44 0.02 0.00 0.00 177.57 177.82 3kow h ASP 654 N 0.77 -1.88 1.38 0.57 3.32 -0.91 -2.39 116.42 117.28 3kow h ASP 654 Ca 0.16 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3kow h ASP 654 Cb 0.34 0.81 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3kow h ASP 654 CO 0.00 -0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.25 3kow h ALA 655 N 0.16 1.00 0.00 3.45 0.00 -1.27 -2.39 119.26 120.21 3kow h ALA 655 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kow h ALA 655 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kow h ALA 655 CO -0.73 0.00 -0.28 0.00 0.00 0.00 0.00 179.25 178.23 3kow h ALA 656 N 2.32 1.29 0.02 0.00 0.00 -0.96 -1.69 119.26 120.24 3kow h ALA 656 Ca 0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 3kow h ALA 656 Cb 0.69 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3kow h ALA 656 CO 0.00 0.35 -1.09 0.82 0.00 0.00 0.00 179.25 179.33 3kow h ILE 657 N 0.00 1.06 -0.00 0.00 2.04 -1.30 0.30 117.51 119.61 3kow h ILE 657 Ca -0.00 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.62 3kow h ILE 657 Cb 0.59 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3kow h ILE 657 CO 0.04 0.42 0.05 -0.08 0.00 0.00 0.00 178.15 178.58 3kow h GLU 658 N -0.89 0.00 -0.10 2.37 4.22 -1.44 -1.78 114.58 116.96 3kow h GLU 658 Ca -0.29 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.15 3kow h GLU 658 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3kow h GLU 658 CO -0.14 0.00 0.00 1.28 -2.18 0.00 0.00 179.01 177.97 3kow n LEU 659 N -3.05 2.61 -4.00 1.64 4.77 -0.64 -4.99 117.00 113.34 3kow n LEU 659 Ca -0.03 -2.58 -0.26 0.00 -0.03 0.00 0.00 56.01 53.12 3kow n LEU 659 Cb 0.12 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 3kow n LEU 659 CO 0.19 0.64 -0.39 2.29 -1.33 0.00 0.00 177.39 178.79 3kow n LYS 660 N -0.68 -0.94 -1.52 3.23 2.85 -0.67 -4.88 118.16 115.54 3kow n LYS 660 Ca 0.11 0.07 -0.36 0.00 -1.05 0.00 0.00 58.31 57.09 3kow n LYS 660 Cb 0.53 -2.94 0.09 0.00 -0.65 0.00 0.00 35.03 32.06 3kow n LYS 660 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kow s ALA 661 N -4.14 2.19 -0.65 0.58 0.00 0.10 -4.93 121.76 114.91 3kow s ALA 661 Ca 0.01 1.11 0.14 0.00 0.00 0.00 0.00 51.96 53.21 3kow s ALA 661 Cb -0.00 -3.54 -0.16 0.00 0.00 0.00 0.00 23.12 19.42 3kow s ALA 661 CO 0.83 -1.85 0.60 -0.25 0.00 0.00 0.00 175.76 175.08 3kow n ASP 662 N -2.38 0.72 -3.68 0.00 8.00 -0.73 -4.90 116.55 113.57 3kow n ASP 662 Ca 0.15 -0.80 -0.09 0.00 0.71 0.00 0.00 54.79 54.76 3kow n ASP 662 Cb 0.49 1.03 -0.02 0.00 -0.02 0.00 0.00 41.12 42.60 3kow n ASP 662 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kow s ALA 663 N -2.38 -1.41 -0.12 2.24 0.00 -1.16 -2.10 121.76 116.84 3kow s ALA 663 Ca 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 3kow s ALA 663 Cb 0.11 0.83 0.04 0.00 0.00 0.00 0.00 23.12 24.10 3kow s ALA 663 CO 0.59 -0.93 0.04 0.42 0.00 0.00 0.00 175.76 175.88 3kow s ILE 664 N -3.79 0.21 -0.27 0.00 1.01 0.11 -2.28 121.20 116.20 3kow s ILE 664 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 3kow s ILE 664 Cb -0.04 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 3kow s ILE 664 CO -0.01 0.01 0.14 -0.76 0.00 0.00 0.00 174.94 174.32 3kow s LEU 665 N 2.02 3.79 -0.14 2.97 1.43 0.09 -1.58 118.68 127.27 3kow s LEU 665 Ca 0.03 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3kow s LEU 665 Cb -0.14 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 3kow s LEU 665 CO -0.06 -0.04 -0.18 0.00 0.23 0.00 0.00 176.35 176.30 3kow s ALA 666 N 1.68 2.40 0.44 4.21 0.00 -0.97 -1.86 121.76 127.66 3kow s ALA 666 Ca 0.07 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 3kow s ALA 666 Cb -0.16 -1.09 -0.07 0.00 0.00 0.00 0.00 23.12 21.81 3kow s ALA 666 CO 0.08 0.10 0.84 0.45 0.00 0.00 0.00 175.76 177.22 3kow s SER 667 N 0.62 6.56 -0.47 0.00 0.15 0.22 -2.63 113.70 118.14 3kow s SER 667 Ca -0.10 1.27 0.04 0.00 0.70 0.00 0.00 55.95 57.87 3kow s SER 667 Cb -0.16 -2.38 0.19 0.00 -1.71 0.00 0.00 66.02 61.96 3kow s SER 667 CO 0.03 -0.46 0.78 0.28 1.20 0.00 0.00 173.24 175.08 3kow s THR 668 N -2.45 -0.85 -0.27 6.45 -1.32 -0.73 -1.59 115.64 114.89 3kow s THR 668 Ca 0.54 -0.69 -0.13 0.00 -1.21 0.00 0.00 61.69 60.20 3kow s THR 668 Cb -0.10 0.00 -0.14 0.00 -1.51 0.00 0.00 72.50 70.75 3kow s THR 668 CO 0.31 0.00 -0.27 -0.38 -2.21 0.00 0.00 174.62 172.08 3kow n ILE 669 N 3.13 1.53 -1.78 5.08 2.08 -1.26 -4.18 119.36 123.96 3kow n ILE 669 Ca 0.16 -0.38 -0.42 0.00 0.56 0.00 0.00 62.75 62.67 3kow n ILE 669 Cb 0.58 -1.84 -0.03 0.00 -0.75 0.00 0.00 39.64 37.60 3kow n ILE 669 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3kow s ILE 670 N -2.50 2.91 -0.21 1.39 1.01 -1.26 -4.68 121.20 117.86 3kow s ILE 670 Ca -0.37 0.20 0.11 0.00 0.00 0.00 0.00 60.65 60.59 3kow s ILE 670 Cb 0.13 -3.13 0.42 0.00 0.01 0.00 0.00 42.46 39.89 3kow s ILE 670 CO 0.52 -0.01 1.22 -1.54 0.00 0.00 0.00 174.94 175.13 3kow n SER 671 N 6.43 1.82 -4.58 3.58 3.41 -1.26 -4.03 113.62 118.99 3kow n SER 671 Ca 0.18 -3.88 -0.42 0.00 -0.26 0.00 0.00 58.87 54.49 3kow n SER 671 Cb 0.40 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 3kow n SER 671 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3kow s HIS 672 N -3.22 2.51 -0.16 7.33 5.04 -1.26 -3.41 115.29 122.12 3kow s HIS 672 Ca 0.38 0.49 -0.00 0.00 -1.54 0.00 0.00 55.06 54.39 3kow s HIS 672 Cb 0.37 -4.45 0.00 0.00 0.04 0.00 0.00 32.58 28.54 3kow s HIS 672 CO -0.07 -1.72 0.14 -3.47 -2.34 0.00 0.00 174.74 167.28 3kow n ASP 673 N 8.78 -2.15 -1.29 9.88 2.03 -1.26 -3.84 116.55 128.70 3kow n ASP 673 Ca 0.11 -0.08 -0.06 0.00 0.52 0.00 0.00 54.79 55.28 3kow n ASP 673 Cb 0.49 -1.10 -0.02 0.00 -0.72 0.00 0.00 41.12 39.76 3kow n ASP 673 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3kow n ASP 674 N -0.72 -1.55 0.30 1.67 8.00 -1.22 -4.73 116.55 118.31 3kow n ASP 674 Ca -0.03 0.16 0.18 0.00 0.71 0.00 0.00 54.79 55.81 3kow n ASP 674 Cb 0.52 -1.70 1.00 0.00 -0.02 0.00 0.00 41.12 40.92 3kow n ASP 674 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kow h ILE 675 N 0.00 0.33 0.02 0.53 6.09 -1.80 -1.94 117.51 120.73 3kow h ILE 675 Ca -0.12 0.00 -0.25 0.00 -1.37 0.00 0.00 64.86 63.12 3kow h ILE 675 Cb 0.43 0.96 0.01 0.00 0.47 0.00 0.00 36.82 38.70 3kow h ILE 675 CO 0.17 0.00 -1.03 1.12 -3.07 0.00 0.00 178.15 175.34 3kow h HIS 676 N 0.00 0.78 -0.03 2.19 2.07 -1.85 -1.21 115.15 117.10 3kow h HIS 676 Ca 0.01 -0.44 -0.13 0.00 -2.85 0.00 0.00 60.37 56.96 3kow h HIS 676 Cb 0.10 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 29.99 3kow h HIS 676 CO 0.00 1.27 -0.58 1.88 -3.07 0.00 0.00 177.93 177.43 3kow h TYR 677 N 0.27 0.13 -0.24 6.12 0.05 -1.74 -2.81 116.97 118.75 3kow h TYR 677 Ca -0.11 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.56 3kow h TYR 677 Cb 1.68 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.39 3kow h TYR 677 CO 0.08 0.66 -0.10 0.87 -1.05 0.00 0.00 178.16 178.63 3kow h LYS 678 N 0.08 0.50 0.00 4.88 1.57 -1.34 0.98 116.57 123.24 3kow h LYS 678 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3kow h LYS 678 Cb 1.05 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3kow h LYS 678 CO 0.08 0.75 0.00 0.09 -0.57 0.00 0.00 179.45 179.80 3kow n ASN 679 N -4.51 0.30 -0.03 0.86 3.02 -0.47 -1.13 115.26 113.29 3kow n ASN 679 Ca -0.04 0.61 -0.11 0.00 -0.03 0.00 0.00 54.58 55.01 3kow n ASN 679 Cb 0.33 -0.66 -0.14 0.00 -0.61 0.00 0.00 39.78 38.70 3kow n ASN 679 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3kow n MET 680 N -1.87 0.66 0.32 3.52 2.81 -0.67 -3.44 117.12 118.45 3kow n MET 680 Ca 0.01 0.25 -0.16 0.00 -1.81 0.00 0.00 57.70 55.99 3kow n MET 680 Cb 0.10 -1.74 -0.08 0.00 -0.71 0.00 0.00 33.22 30.79 3kow n MET 680 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3kow h LYS 681 N 0.01 -0.78 -0.39 0.03 1.63 0.73 -3.17 116.57 114.62 3kow h LYS 681 Ca -0.35 0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.57 3kow h LYS 681 Cb 2.05 0.18 -0.09 0.00 -0.60 0.00 0.00 32.23 33.77 3kow h LYS 681 CO 0.07 -0.47 -0.46 0.00 -3.45 0.00 0.00 179.45 175.13 3kow h ARG 682 N -0.98 -0.34 -0.98 1.90 3.08 -1.37 -1.37 114.38 114.32 3kow h ARG 682 Ca -0.08 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.20 3kow h ARG 682 Cb 0.67 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.71 3kow h ARG 682 CO 0.14 -0.23 0.62 0.82 -1.07 0.00 0.00 179.97 180.25 3kow h ILE 683 N -0.36 0.65 -0.23 2.04 2.04 -1.65 0.49 117.51 120.50 3kow h ILE 683 Ca 0.12 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 3kow h ILE 683 Cb 0.59 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3kow h ILE 683 CO -0.57 0.10 -0.19 -0.74 0.00 0.00 0.00 178.15 176.75 3kow h HIS 684 N 0.54 0.64 -0.01 1.37 2.76 -1.25 -3.03 115.15 116.17 3kow h HIS 684 Ca 0.54 -0.18 -0.22 0.00 -2.20 0.00 0.00 60.37 58.31 3kow h HIS 684 Cb 1.14 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.97 3kow h HIS 684 CO -0.00 0.85 -0.92 0.93 -1.30 0.00 0.00 177.93 177.49 3kow h GLU 685 N 0.24 0.41 0.00 5.26 5.08 -0.19 -1.94 114.58 123.45 3kow h GLU 685 Ca 0.04 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3kow h GLU 685 Cb 0.72 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3kow h GLU 685 CO 0.05 1.09 0.00 -0.11 -1.00 0.00 0.00 179.01 179.04 3kow n LEU 686 N -3.75 0.50 -0.41 1.33 0.00 0.15 -0.82 117.00 114.00 3kow n LEU 686 Ca -0.06 0.61 0.05 0.00 0.00 0.00 0.00 56.01 56.60 3kow n LEU 686 Cb 0.82 -0.53 0.05 0.00 0.00 0.00 0.00 43.42 43.76 3kow n LEU 686 CO 0.51 -0.42 0.43 0.00 0.00 0.00 0.00 177.39 177.90 3kow n ALA 687 N -1.70 2.45 -0.40 1.96 0.00 -1.15 -3.93 120.51 117.74 3kow n ALA 687 Ca 0.03 -0.64 0.12 0.00 0.00 0.00 0.00 53.44 52.95 3kow n ALA 687 Cb 0.24 -0.33 0.33 0.00 0.00 0.00 0.00 19.45 19.69 3kow n ALA 687 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3kow n VAL 688 N 0.53 1.08 0.00 0.00 3.14 0.00 -0.70 118.33 122.39 3kow n VAL 688 Ca 0.06 -1.02 0.00 0.00 -2.96 0.00 0.00 64.34 60.42 3kow n VAL 688 Cb 0.26 0.46 0.00 0.00 -1.06 0.00 0.00 33.84 33.51 3kow n VAL 688 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 3kow n GLU 689 N 1.60 3.34 -0.02 1.45 0.28 -1.07 -4.43 120.64 121.79 3kow n GLU 689 Ca 0.25 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.37 3kow n GLU 689 Cb 0.65 -0.58 0.62 0.00 1.43 0.00 0.00 31.44 33.56 3kow n GLU 689 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kow n LYS 690 N -0.57 1.33 -3.50 3.44 4.76 -1.25 -4.94 118.16 117.42 3kow n LYS 690 Ca 0.00 -0.48 -0.21 0.00 -2.87 0.00 0.00 58.31 54.75 3kow n LYS 690 Cb 0.00 -1.42 0.08 0.00 -1.84 0.00 0.00 35.03 31.85 3kow n LYS 690 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kow n GLY 691 N 1.02 -0.44 0.00 0.72 0.00 -1.24 -4.90 105.19 100.35 3kow n GLY 691 Ca 0.19 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3kow n GLY 691 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kow n ILE 692 N -4.61 0.09 0.00 -0.61 -5.35 -0.85 -4.83 119.36 103.20 3kow n ILE 692 Ca -0.09 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 3kow n ILE 692 Cb 0.60 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.77 3kow n ILE 692 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3kow n ARG 693 N -0.04 0.00 0.00 6.28 3.00 0.13 -2.52 116.66 123.50 3kow n ARG 693 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3kow n ARG 693 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 32.46 31.59 3kow n ARG 693 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3kow n ASP 694 N -0.30 2.60 -0.92 6.15 5.75 -1.26 -4.66 116.55 123.91 3kow n ASP 694 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.82 3kow n ASP 694 Cb 0.00 0.19 0.17 0.00 -1.03 0.00 0.00 41.12 40.44 3kow n ASP 694 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kow n LYS 695 N -1.57 2.36 -3.83 0.11 5.02 -1.05 -4.88 118.16 114.33 3kow n LYS 695 Ca 0.00 -1.31 -0.13 0.00 -2.02 0.00 0.00 58.31 54.85 3kow n LYS 695 Cb 0.28 -1.62 -0.14 0.00 -0.02 0.00 0.00 35.03 33.53 3kow n LYS 695 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kow s ILE 696 N -1.70 -0.01 -0.23 -0.18 1.01 -1.23 -4.85 121.20 114.00 3kow s ILE 696 Ca 0.23 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.81 3kow s ILE 696 Cb 0.16 -0.09 -0.05 0.00 0.01 0.00 0.00 42.46 42.49 3kow s ILE 696 CO 0.10 0.02 0.25 -0.04 0.00 0.00 0.00 174.94 175.28 3kow s MET 697 N 0.31 4.09 -0.28 2.79 -1.94 -0.89 -4.92 119.30 118.45 3kow s MET 697 Ca -0.02 -0.10 -0.01 0.00 -1.71 0.00 0.00 55.69 53.84 3kow s MET 697 Cb -0.03 -3.56 0.04 0.00 2.01 0.00 0.00 34.83 33.29 3kow s MET 697 CO -0.01 -0.02 -0.02 0.42 -0.01 0.00 0.00 175.02 175.38 3kow s ILE 698 N 1.27 2.92 0.10 2.53 1.01 -1.26 0.04 121.20 127.81 3kow s ILE 698 Ca 0.12 -1.30 0.08 0.00 0.00 0.00 0.00 60.65 59.55 3kow s ILE 698 Cb -0.14 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3kow s ILE 698 CO 0.06 -0.02 -0.16 -0.83 0.00 0.00 0.00 174.94 174.00 3kow s GLY 699 N 1.26 1.70 0.03 6.18 0.00 -0.61 -0.56 107.32 115.32 3kow s GLY 699 Ca -0.04 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 43.41 3kow s GLY 699 CO -0.02 -1.25 -0.06 0.00 0.00 0.00 0.00 173.10 171.77 3kow s GLY 701 N -1.16 0.86 0.00 0.00 0.00 -1.08 0.50 107.32 106.45 3kow s GLY 701 Ca -0.08 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.25 3kow s GLY 701 CO 0.00 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.38 3kow n GLY 702 N -0.06 3.39 0.44 0.20 0.00 -0.95 -1.78 105.19 106.44 3kow n GLY 702 Ca -0.07 -0.32 0.25 0.00 0.00 0.00 0.00 46.02 45.87 3kow n GLY 702 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kow h THR 703 N 1.84 0.59 -0.63 2.61 2.02 -1.83 -0.37 112.91 117.13 3kow h THR 703 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3kow h THR 703 Cb 0.00 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3kow h THR 703 CO 0.00 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.92 3kow n GLN 704 N -4.39 2.67 -3.14 6.66 1.13 -1.26 -4.10 117.38 114.94 3kow n GLN 704 Ca 0.20 -2.55 -0.40 0.00 -1.94 0.00 0.00 57.00 52.31 3kow n GLN 704 Cb 0.87 -1.55 -0.06 0.00 0.11 0.00 0.00 30.24 29.61 3kow n GLN 704 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3kow s VAL 705 N -1.14 5.04 -0.17 5.09 1.01 -0.15 -5.05 120.40 125.03 3kow s VAL 705 Ca 0.46 1.16 -0.18 0.00 0.00 0.00 0.00 61.98 63.42 3kow s VAL 705 Cb 0.25 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3kow s VAL 705 CO 0.33 0.14 0.49 -0.89 0.00 0.00 0.00 175.10 175.17 3kow s THR 706 N 1.74 5.14 0.13 3.92 2.01 -1.26 -3.69 115.64 123.63 3kow s THR 706 Ca 0.29 0.93 -0.19 0.00 0.31 0.00 0.00 61.69 63.02 3kow s THR 706 Cb -0.16 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 3kow s THR 706 CO 0.11 0.24 1.70 -0.65 -0.69 0.00 0.00 174.62 175.32 3kow h PRO 707 N 7.20 0.01 -0.66 4.92 0.11 -1.91 -2.11 132.00 139.55 3kow h PRO 707 Ca -0.36 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.83 3kow h PRO 707 Cb 1.16 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3kow h PRO 707 CO 0.74 0.01 0.44 0.93 -0.21 0.00 0.00 178.00 179.91 3kow h GLU 708 N 0.01 0.57 -0.03 1.05 3.07 -1.95 -1.77 114.58 115.53 3kow h GLU 708 Ca 0.11 -0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 58.73 3kow h GLU 708 Cb 0.17 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3kow h GLU 708 CO -0.23 0.38 -0.87 0.28 -1.40 0.00 0.00 179.01 177.16 3kow h VAL 709 N 0.58 1.39 0.00 3.13 2.07 -1.90 -3.26 116.25 118.26 3kow h VAL 709 Ca 0.30 -2.34 -0.05 0.00 0.82 0.00 0.00 66.70 65.43 3kow h VAL 709 Cb 0.41 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 3kow h VAL 709 CO -0.10 0.70 -0.24 0.00 0.02 0.00 0.00 177.57 177.95 3kow h ALA 710 N 0.79 1.06 0.00 1.67 0.00 -0.66 -2.87 119.26 119.25 3kow h ALA 710 Ca -0.06 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3kow h ALA 710 Cb 1.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3kow h ALA 710 CO 0.15 0.30 -0.43 0.28 0.00 0.00 0.00 179.25 179.56 3kow h VAL 711 N 0.00 0.81 0.00 0.00 2.07 -1.49 -2.65 116.25 114.99 3kow h VAL 711 Ca -0.00 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3kow h VAL 711 Cb 0.71 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3kow h VAL 711 CO 0.03 0.42 0.00 0.29 0.02 0.00 0.00 177.57 178.33 3kow n LYS 712 N -3.32 0.89 0.00 1.57 4.76 -1.08 -2.50 118.16 118.47 3kow n LYS 712 Ca 0.01 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.57 3kow n LYS 712 Cb 0.63 -1.46 0.15 0.00 -1.84 0.00 0.00 35.03 32.51 3kow n LYS 712 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3kow n GLN 713 N -0.96 0.47 0.00 1.97 1.13 -1.00 -4.95 117.38 114.04 3kow n GLN 713 Ca 0.20 -0.33 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 3kow n GLN 713 Cb 0.09 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.95 3kow n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kow n GLY 714 N 1.44 3.30 3.79 1.08 0.00 -1.04 -4.27 105.19 109.48 3kow n GLY 714 Ca 0.08 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 3kow n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kow s VAL 715 N -0.07 3.57 0.08 1.61 -7.23 -1.25 -4.99 120.40 112.13 3kow s VAL 715 Ca 0.00 0.58 -0.14 0.00 -1.81 0.00 0.00 61.98 60.61 3kow s VAL 715 Cb 0.00 -3.15 -0.19 0.00 0.56 0.00 0.00 36.38 33.61 3kow s VAL 715 CO 0.00 -0.60 1.25 0.44 -0.31 0.00 0.00 175.10 175.89 3kow h ASP 716 N -0.58 0.90 -5.48 4.85 3.32 -1.16 -3.38 116.42 114.89 3kow h ASP 716 Ca -0.45 -0.67 -0.20 0.00 0.02 0.00 0.00 57.03 55.74 3kow h ASP 716 Cb 1.23 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.36 3kow h ASP 716 CO 0.54 1.43 -0.62 0.00 -1.72 0.00 0.00 179.24 178.87 3kow s ALA 717 N -3.59 0.93 -0.07 3.45 0.00 -1.17 -4.92 121.76 116.38 3kow s ALA 717 Ca -0.11 -1.53 -0.09 0.00 0.00 0.00 0.00 51.96 50.24 3kow s ALA 717 Cb 0.08 1.07 0.02 0.00 0.00 0.00 0.00 23.12 24.29 3kow s ALA 717 CO 0.90 -0.54 0.24 0.20 0.00 0.00 0.00 175.76 176.56 3kow s GLY 718 N -3.09 -0.15 -0.04 0.00 0.00 -1.26 -1.61 107.32 101.17 3kow s GLY 718 Ca 0.29 0.57 0.02 0.00 0.00 0.00 0.00 44.72 45.60 3kow s GLY 718 CO 0.06 0.46 -0.07 -1.36 0.00 0.00 0.00 173.10 172.18 3kow s PHE 719 N -0.16 0.90 0.00 1.90 0.08 0.18 -4.18 117.98 116.70 3kow s PHE 719 Ca -0.03 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.77 3kow s PHE 719 Cb -0.03 -0.71 0.00 0.00 -0.57 0.00 0.00 43.02 41.72 3kow s PHE 719 CO 0.01 -0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.38 3kow n GLY 720 N 3.70 6.96 3.56 4.36 0.00 -1.24 -2.23 105.19 120.30 3kow n GLY 720 Ca -0.22 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 3kow n GLY 720 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kow n ARG 721 N 0.00 0.90 -1.98 1.61 1.74 -1.26 -2.89 116.66 114.78 3kow n ARG 721 Ca 0.00 0.34 -0.07 0.00 -0.77 0.00 0.00 57.85 57.34 3kow n ARG 721 Cb 0.00 -1.94 -0.01 0.00 -1.02 0.00 0.00 32.46 29.49 3kow n ARG 721 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kow n GLY 722 N 1.44 0.22 3.72 -0.13 0.00 -1.26 -5.01 105.19 104.16 3kow n GLY 722 Ca 0.12 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 3kow n GLY 722 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kow s SER 723 N -2.71 7.06 0.20 1.61 0.01 -1.14 -5.07 113.70 113.66 3kow s SER 723 Ca 0.00 1.27 0.07 0.00 1.31 0.00 0.00 55.95 58.60 3kow s SER 723 Cb 0.00 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 3kow s SER 723 CO 0.00 -0.09 0.10 -0.54 0.41 0.00 0.00 173.24 173.12 3kow s LYS 724 N 0.62 2.71 0.41 12.44 1.02 -1.26 -4.86 119.74 130.82 3kow s LYS 724 Ca 0.39 -1.04 0.20 0.00 0.02 0.00 0.00 55.97 55.53 3kow s LYS 724 Cb -0.18 -2.49 1.15 0.00 -0.52 0.00 0.00 37.83 35.78 3kow s LYS 724 CO 0.20 0.44 1.78 0.78 -0.92 0.00 0.00 175.35 177.63 3kow h GLY 725 N 2.18 1.06 0.71 -3.33 0.00 -1.78 -1.23 103.07 100.69 3kow h GLY 725 Ca -0.47 -0.18 0.07 0.00 0.00 0.00 0.00 47.33 46.74 3kow h GLY 725 CO 0.61 -0.12 0.61 1.19 0.00 0.00 0.00 176.54 178.84 3kow h ILE 726 N 0.35 1.06 -0.87 2.60 6.09 -1.89 0.18 117.51 125.03 3kow h ILE 726 Ca 0.58 -0.38 -0.02 0.00 -1.37 0.00 0.00 64.86 63.68 3kow h ILE 726 Cb 1.56 -0.14 -0.04 0.00 0.47 0.00 0.00 36.82 38.67 3kow h ILE 726 CO -0.26 0.20 0.48 0.45 -3.07 0.00 0.00 178.15 175.96 3kow h HIS 727 N 1.10 1.19 -0.08 2.19 3.86 -1.60 -2.15 115.15 119.66 3kow h HIS 727 Ca 0.42 -0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.46 3kow h HIS 727 Cb 0.19 -0.38 0.01 0.00 1.06 0.00 0.00 27.41 28.29 3kow h HIS 727 CO -0.01 0.82 -0.53 0.28 0.86 0.00 0.00 177.93 179.35 3kow h VAL 728 N 1.21 1.38 -0.00 2.45 2.07 -1.07 -2.57 116.25 119.71 3kow h VAL 728 Ca 0.31 -1.87 0.02 0.00 0.82 0.00 0.00 66.70 65.97 3kow h VAL 728 Cb 0.02 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3kow h VAL 728 CO -0.05 0.56 -0.11 0.00 0.02 0.00 0.00 177.57 177.99 3kow h ALA 729 N 0.45 -0.13 -0.16 1.67 0.00 -0.68 -0.34 119.26 120.07 3kow h ALA 729 Ca -0.04 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kow h ALA 729 Cb 1.18 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 3kow h ALA 729 CO 0.11 -0.61 -0.22 1.15 0.00 0.00 0.00 179.25 179.69 3kow h THR 730 N -0.19 0.00 -0.94 0.00 2.02 -1.44 -0.83 112.91 111.53 3kow h THR 730 Ca 0.04 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.45 3kow h THR 730 Cb 0.25 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.53 3kow h THR 730 CO -0.11 0.00 0.49 0.15 0.37 0.00 0.00 175.52 176.41 3kow h PHE 731 N -0.15 0.82 0.49 3.16 3.57 -1.33 0.13 116.94 123.64 3kow h PHE 731 Ca 0.03 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3kow h PHE 731 Cb 0.23 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 3kow h PHE 731 CO -0.66 0.01 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.07 3kow h LEU 732 N 0.49 -0.72 -0.28 0.59 3.38 -0.08 -1.35 115.31 117.33 3kow h LEU 732 Ca 0.60 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.59 3kow h LEU 732 Cb 1.12 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3kow h LEU 732 CO -0.50 -0.46 -0.10 -0.37 0.09 0.00 0.00 178.44 177.10 3kow h VAL 733 N -0.74 0.18 0.15 1.22 -1.51 -0.49 -2.71 116.25 112.35 3kow h VAL 733 Ca -0.06 -1.14 -0.01 0.00 -1.23 0.00 0.00 66.70 64.26 3kow h VAL 733 Cb 0.60 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 3kow h VAL 733 CO 0.07 0.10 -0.07 0.50 -1.23 0.00 0.00 177.57 176.93 3kow h LYS 734 N 0.00 -0.19 0.00 5.19 3.64 -0.67 -3.23 116.57 121.30 3kow h LYS 734 Ca -0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3kow h LYS 734 Cb 0.98 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3kow h LYS 734 CO 0.01 0.23 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.14 3kow h LYS 735 N -0.90 0.00 0.00 1.90 1.63 -1.31 -2.78 116.57 115.11 3kow h LYS 735 Ca -0.02 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3kow h LYS 735 Cb 0.51 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 3kow h LYS 735 CO 0.03 0.06 -0.09 -0.09 -3.45 0.00 0.00 179.45 175.91 3kow h ARG 736 N 0.00 0.00 0.16 1.90 2.43 -1.54 -2.93 114.38 114.40 3kow h ARG 736 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3kow h ARG 736 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3kow h ARG 736 CO 0.01 0.09 -0.08 0.00 -1.51 0.00 0.00 179.97 178.48 3kow h ARG 737 N 0.00 -0.20 -1.61 0.20 3.08 -1.51 -3.30 114.38 111.04 3kow h ARG 737 Ca -0.00 0.01 0.47 0.00 0.07 0.00 0.00 59.98 60.53 3kow h ARG 737 Cb 1.02 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 3kow h ARG 737 CO 0.01 0.14 1.35 1.49 -1.07 0.00 0.00 179.97 181.89 3kow h GLU 738 N -0.97 0.00 0.00 0.04 4.81 -1.51 0.23 114.58 117.18 3kow h GLU 738 Ca -0.02 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 3kow h GLU 738 Cb 0.43 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 3kow h GLU 738 CO 0.04 0.00 -1.05 0.52 -0.73 0.00 0.00 179.01 177.79 3kow h MET 739 N 0.00 0.00 -0.01 1.92 2.86 -1.59 -3.52 114.93 114.60 3kow h MET 739 Ca 0.76 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.40 3kow h MET 739 Cb 3.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 35.11 3kow h MET 739 CO -0.01 0.85 0.00 0.54 1.06 0.00 0.00 176.91 179.35