#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 -1.70 1.96 0.00 -1.26 -5.11 117.38 111.27 3kow n GLN 6 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.00 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 -2.67 -4.77 1.69 4.77 -1.26 -4.96 117.00 109.80 3kow n LEU 7 Ca 0.00 0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.60 3kow n LEU 7 Cb 0.00 -1.31 -0.06 0.00 -2.33 0.00 0.00 43.42 39.72 3kow n LEU 7 CO 0.00 -0.19 0.48 -0.13 -1.33 0.00 0.00 177.39 176.22 3kow s ARG 8 N -2.55 4.55 0.61 3.23 0.52 -1.26 -4.90 118.95 119.15 3kow s ARG 8 Ca 0.01 1.14 0.30 0.00 -0.52 0.00 0.00 55.73 56.66 3kow s ARG 8 Cb -0.00 -3.28 1.64 0.00 0.52 0.00 0.00 34.95 33.82 3kow s ARG 8 CO 0.10 0.51 2.01 -0.39 0.02 0.00 0.00 175.30 177.55 3kow h VAL 9 N 3.49 0.32 -0.01 3.52 -1.51 -1.99 -2.34 116.25 117.73 3kow h VAL 9 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3kow h VAL 9 Cb 1.21 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3kow h VAL 9 CO 0.67 0.00 -0.46 -0.46 -1.23 0.00 0.00 177.57 176.09 3kow n ASN 10 N -3.55 1.85 -4.50 4.19 6.94 -1.26 -4.88 115.26 114.05 3kow n ASN 10 Ca 0.03 -1.41 -0.33 0.00 -0.02 0.00 0.00 54.58 52.85 3kow n ASN 10 Cb 0.43 0.44 -0.12 0.00 -2.36 0.00 0.00 39.78 38.17 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 -2.50 3.10 0.71 -3.83 2.02 -0.88 -5.12 118.70 112.21 3kow s GLU 11 Ca 0.19 -0.59 -0.10 0.00 0.02 0.00 0.00 54.97 54.50 3kow s GLU 11 Cb 0.18 -2.66 0.15 0.00 0.10 0.00 0.00 34.13 31.90 3kow s GLU 11 CO 0.57 0.45 0.34 1.63 0.02 0.00 0.00 175.26 178.27 3kow n LYS 12 N 2.86 -1.52 -3.10 1.61 5.02 -1.26 -4.68 118.16 117.09 3kow n LYS 12 Ca -0.18 -0.57 -0.40 0.00 -2.02 0.00 0.00 58.31 55.14 3kow n LYS 12 Cb 0.53 -1.01 -0.06 0.00 -0.02 0.00 0.00 35.03 34.47 3kow n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kow s LEU 13 N 0.00 4.18 -1.05 -0.35 1.43 -1.26 -4.94 118.68 116.69 3kow s LEU 13 Ca 0.26 0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 54.05 3kow s LEU 13 Cb -0.05 -2.93 -0.12 0.00 0.03 0.00 0.00 46.19 43.12 3kow s LEU 13 CO 0.22 -0.24 1.93 -0.67 0.23 0.00 0.00 176.35 177.82 3kow n ASP 14 N 4.77 2.79 0.00 2.29 -0.08 -1.26 -4.65 116.55 120.40 3kow n ASP 14 Ca -0.01 -2.68 0.06 0.00 -1.51 0.00 0.00 54.79 50.66 3kow n ASP 14 Cb 0.50 -1.56 0.31 0.00 2.34 0.00 0.00 41.12 42.71 3kow n ASP 14 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 3kow n VAL 15 N 7.46 0.84 -0.06 5.18 3.14 -1.26 -0.26 118.33 133.37 3kow n VAL 15 Ca 0.46 0.21 -0.15 0.00 -2.96 0.00 0.00 64.34 61.90 3kow n VAL 15 Cb 0.45 -0.99 -0.14 0.00 -1.06 0.00 0.00 33.84 32.10 3kow n VAL 15 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3kow n GLU 16 N -1.38 0.68 0.09 1.45 1.02 -1.26 -4.07 120.64 117.18 3kow n GLU 16 Ca 0.05 0.18 -0.01 0.00 -0.02 0.00 0.00 57.16 57.36 3kow n GLU 16 Cb 0.13 -1.64 0.27 0.00 -0.02 0.00 0.00 31.44 30.18 3kow n GLU 16 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 3kow h ASN 17 N 0.02 0.27 -0.58 1.62 -1.24 -1.01 -2.60 115.58 112.06 3kow h ASN 17 Ca -0.45 -0.09 -0.03 0.00 0.71 0.00 0.00 56.30 56.43 3kow h ASN 17 Cb 2.05 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 41.00 3kow h ASN 17 CO 0.03 0.57 0.23 0.40 -1.29 0.00 0.00 177.43 177.37 3kow h ILE 18 N 0.24 1.23 0.00 2.57 2.04 -1.48 -3.07 117.51 119.04 3kow h ILE 18 Ca 0.03 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3kow h ILE 18 Cb 0.65 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3kow h ILE 18 CO 0.05 0.27 0.00 0.18 0.00 0.00 0.00 178.15 178.65 3kow n LEU 19 N -4.48 0.02 -4.84 1.44 4.77 -0.99 -4.72 117.00 108.21 3kow n LEU 19 Ca 0.03 0.51 -0.38 0.00 -0.03 0.00 0.00 56.01 56.14 3kow n LEU 19 Cb 0.17 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 3kow n LEU 19 CO 0.39 -0.40 0.13 -0.54 -1.33 0.00 0.00 177.39 175.64 3kow s LYS 20 N -3.01 3.94 -0.77 3.23 1.02 -1.16 -4.31 119.74 118.66 3kow s LYS 20 Ca 0.03 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.45 3kow s LYS 20 Cb 0.04 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 3kow s LYS 20 CO 0.13 0.66 0.00 -0.25 -0.92 0.00 0.00 175.35 174.97 3kow n ASP 21 N 1.65 -3.16 0.21 2.83 8.00 -1.26 -4.92 116.55 119.90 3kow n ASP 21 Ca -0.12 0.01 0.10 0.00 0.71 0.00 0.00 54.79 55.48 3kow n ASP 21 Cb 0.52 -2.39 0.64 0.00 -0.02 0.00 0.00 41.12 39.87 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 0.00 0.02 -2.39 0.64 3.38 -1.85 -1.50 115.31 113.61 3kow h LEU 22 Ca -0.21 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3kow h LEU 22 Cb 1.12 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3kow h LEU 22 CO 0.25 0.02 -0.03 -2.24 0.09 0.00 0.00 178.44 176.53 3kow h ASP 23 N 0.03 0.00 1.21 -0.43 2.03 -1.95 -2.41 116.42 114.89 3kow h ASP 23 Ca 0.05 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.30 3kow h ASP 23 Cb 0.16 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.65 3kow h ASP 23 CO -0.00 0.03 -0.81 0.11 -1.03 0.00 0.00 179.24 177.53 3kow h LYS 24 N 0.00 0.00 -6.60 4.15 1.79 -1.67 -3.48 116.57 110.76 3kow h LYS 24 Ca -0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.94 3kow h LYS 24 Cb 0.17 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.87 3kow h LYS 24 CO 0.00 0.13 0.88 -0.47 -1.08 0.00 0.00 179.45 178.91 3kow s TYR 25 N -3.18 3.04 -0.09 -1.35 5.04 -0.91 -5.02 117.35 114.89 3kow s TYR 25 Ca 0.01 0.63 0.03 0.00 -2.44 0.00 0.00 57.07 55.29 3kow s TYR 25 Cb 0.08 -3.92 0.01 0.00 0.35 0.00 0.00 41.96 38.48 3kow s TYR 25 CO 0.76 -3.39 -0.16 0.99 -1.34 0.00 0.00 175.55 172.41 3kow s THR 26 N 1.21 1.49 0.75 4.34 2.01 -1.26 -5.09 115.64 119.09 3kow s THR 26 Ca 0.70 -0.67 -0.13 0.00 0.31 0.00 0.00 61.69 61.89 3kow s THR 26 Cb -0.43 -1.34 0.05 0.00 0.01 0.00 0.00 72.50 70.79 3kow s THR 26 CO 0.31 0.44 1.16 -2.84 -0.69 0.00 0.00 174.62 172.99 3kow s PRO 27 N 0.67 2.10 0.10 4.92 0.02 -1.26 -4.91 135.00 136.63 3kow s PRO 27 Ca -0.13 1.55 0.19 0.00 0.02 0.00 0.00 61.00 62.62 3kow s PRO 27 Cb -0.16 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.40 3kow s PRO 27 CO 0.04 -1.82 0.86 1.17 -0.33 0.00 0.00 177.00 176.91 3kow n LYS 28 N -3.05 0.62 -2.14 5.54 4.81 -1.26 -4.95 118.16 117.72 3kow n LYS 28 Ca 0.12 0.17 -0.04 0.00 -0.87 0.00 0.00 58.31 57.69 3kow n LYS 28 Cb 0.51 -1.80 0.01 0.00 0.02 0.00 0.00 35.03 33.78 3kow n LYS 28 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 3kow n ARG 29 N -2.79 0.45 -4.56 1.64 1.85 -1.26 -5.19 116.66 106.80 3kow n ARG 29 Ca -0.07 -0.89 -0.26 0.00 -1.00 0.00 0.00 57.85 55.63 3kow n ARG 29 Cb 0.75 1.12 -0.10 0.00 -1.05 0.00 0.00 32.46 33.17 3kow n ARG 29 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3kow s ARG 30 N -2.04 1.87 0.88 2.89 1.81 -1.26 -4.73 118.95 118.37 3kow s ARG 30 Ca 0.07 -2.08 0.00 0.00 -1.72 0.00 0.00 55.73 52.00 3kow s ARG 30 Cb -0.02 -1.20 0.00 0.00 -0.45 0.00 0.00 34.95 33.28 3kow s ARG 30 CO 0.05 -0.20 0.00 0.41 -0.68 0.00 0.00 175.30 174.88 3kow n GLY 31 N -0.89 -1.61 3.75 -3.53 0.00 -1.22 -4.85 105.19 96.84 3kow n GLY 31 Ca -0.06 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.33 3.46 -0.01 1.61 -0.11 -1.12 -4.75 118.94 116.69 3kow s TRP 32 Ca 0.00 0.43 0.02 0.00 1.22 0.00 0.00 56.10 57.77 3kow s TRP 32 Cb 0.00 -2.17 -0.03 0.00 -1.50 0.00 0.00 33.47 29.76 3kow s TRP 32 CO 0.00 0.35 -0.02 0.95 -4.62 0.00 0.00 176.95 173.61 3kow s THR 33 N 0.16 4.02 0.59 5.86 -4.23 -1.26 -5.01 115.64 115.77 3kow s THR 33 Ca 0.11 -0.62 0.09 0.00 -1.18 0.00 0.00 61.69 60.10 3kow s THR 33 Cb -0.12 -2.77 0.09 0.00 1.34 0.00 0.00 72.50 71.04 3kow s THR 33 CO 0.01 0.40 0.77 0.26 -0.54 0.00 0.00 174.62 175.52 3kow s TRP 34 N -1.04 1.25 0.34 3.99 0.52 -1.26 -4.87 118.94 117.88 3kow s TRP 34 Ca 0.18 -0.78 -0.24 0.00 0.02 0.00 0.00 56.10 55.28 3kow s TRP 34 Cb -0.11 -2.15 -0.10 0.00 -1.15 0.00 0.00 33.47 29.95 3kow s TRP 34 CO 0.09 -1.17 0.93 1.03 0.02 0.00 0.00 176.95 177.85 3kow s ARG 35 N -4.66 4.45 -0.23 4.98 0.52 -1.26 -5.03 118.95 117.72 3kow s ARG 35 Ca 0.59 1.23 -0.23 0.00 -0.52 0.00 0.00 55.73 56.80 3kow s ARG 35 Cb -0.05 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 3kow s ARG 35 CO 0.37 0.20 0.73 -0.65 0.02 0.00 0.00 175.30 175.98 3kow s GLN 36 N -2.37 4.18 0.43 3.54 -1.52 -1.26 -5.01 119.66 117.65 3kow s GLN 36 Ca 0.53 0.77 -0.25 0.00 -1.95 0.00 0.00 55.36 54.45 3kow s GLN 36 Cb -0.16 -3.63 -0.08 0.00 -0.22 0.00 0.00 33.01 28.92 3kow s GLN 36 CO 0.21 -0.41 1.35 -1.25 -0.25 0.00 0.00 175.29 174.93 3kow s PRO 37 N 2.48 3.83 -0.66 2.91 0.04 -1.26 -1.86 135.00 140.48 3kow s PRO 37 Ca 0.31 2.24 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 3kow s PRO 37 Cb -0.16 -2.69 0.17 0.00 0.04 0.00 0.00 34.50 31.86 3kow s PRO 37 CO 0.09 -0.64 0.47 0.00 0.04 0.00 0.00 177.00 176.96 3kow s ALA 38 N -1.25 3.66 0.31 8.56 0.00 -1.14 -4.72 121.76 127.17 3kow s ALA 38 Ca 0.59 -3.39 -0.30 0.00 0.00 0.00 0.00 51.96 48.87 3kow s ALA 38 Cb -0.40 -2.61 -0.12 0.00 0.00 0.00 0.00 23.12 19.99 3kow s ALA 38 CO 0.51 -2.11 1.58 0.39 0.00 0.00 0.00 175.76 176.13 3kow n GLU 39 N 3.19 2.71 -3.36 0.00 4.71 -1.26 -3.47 120.64 123.15 3kow n GLU 39 Ca 0.10 0.96 -0.36 0.00 -0.01 0.00 0.00 57.16 57.85 3kow n GLU 39 Cb 0.37 -2.74 0.03 0.00 -1.01 0.00 0.00 31.44 28.10 3kow n GLU 39 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kow n ASN 40 N 1.87 -5.03 -4.69 1.62 3.02 -1.26 -4.90 115.26 105.90 3kow n ASN 40 Ca 0.07 -0.21 -0.37 0.00 -0.03 0.00 0.00 54.58 54.05 3kow n ASN 40 Cb 0.37 -1.48 -0.08 0.00 -0.61 0.00 0.00 39.78 37.98 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 -2.44 4.17 -0.25 3.41 2.96 -0.89 -4.87 118.68 120.77 3kow s LEU 41 Ca 0.34 0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 54.48 3kow s LEU 41 Cb -0.03 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 3kow s LEU 41 CO 0.82 0.06 0.09 -1.58 -1.32 0.00 0.00 176.35 174.42 3kow s GLN 42 N 0.89 3.75 -0.09 1.98 0.74 -1.26 0.45 119.66 126.11 3kow s GLN 42 Ca 0.12 -0.43 -0.01 0.00 0.05 0.00 0.00 55.36 55.09 3kow s GLN 42 Cb -0.13 -3.37 0.03 0.00 1.10 0.00 0.00 33.01 30.63 3kow s GLN 42 CO 0.04 -0.13 -0.05 -1.64 -0.55 0.00 0.00 175.29 172.96 3kow s MET 43 N 1.50 1.14 6.08 1.67 -1.94 -0.22 -5.00 119.30 122.53 3kow s MET 43 Ca 0.06 -0.11 0.00 0.00 -1.71 0.00 0.00 55.69 53.93 3kow s MET 43 Cb -0.15 -1.31 0.00 0.00 2.01 0.00 0.00 34.83 35.38 3kow s MET 43 CO 0.05 -0.26 0.00 0.41 -0.01 0.00 0.00 175.02 175.21 3kow n GLY 44 N 4.94 3.06 0.09 -0.03 0.00 -1.26 -2.45 105.19 109.55 3kow n GLY 44 Ca -0.11 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 0.18 -4.22 1.61 -0.02 -1.26 -4.90 135.00 140.38 3kow n PRO 45 Ca 0.00 0.25 -0.24 0.00 -2.02 0.00 0.00 63.50 61.50 3kow n PRO 45 Cb 0.00 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 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 -3.15 2.85 -0.04 6.00 0.08 -1.02 -5.12 117.98 117.58 3kow s PHE 46 Ca 0.09 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 57.00 3kow s PHE 46 Cb 0.12 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 3kow s PHE 46 CO 0.49 0.56 -0.10 0.42 -0.10 0.00 0.00 175.22 176.50 3kow s ILE 47 N -2.08 3.42 -0.09 0.64 1.01 -1.26 -1.05 121.20 121.78 3kow s ILE 47 Ca 0.31 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.32 3kow s ILE 47 Cb -0.08 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3kow s ILE 47 CO 0.21 0.53 -0.21 -0.31 0.00 0.00 0.00 174.94 175.16 3kow s TYR 48 N -0.84 2.59 -0.07 3.97 2.02 0.17 -4.95 117.35 120.25 3kow s TYR 48 Ca 0.13 -0.80 0.05 0.00 -0.37 0.00 0.00 57.07 56.08 3kow s TYR 48 Cb -0.11 -1.70 -0.24 0.00 -0.40 0.00 0.00 41.96 39.50 3kow s TYR 48 CO 0.03 -0.27 0.55 1.63 -1.57 0.00 0.00 175.55 175.92 3kow n LYS 49 N 3.27 0.68 -0.78 -0.62 4.76 -1.26 -2.09 118.16 122.12 3kow n LYS 49 Ca -0.18 0.29 0.01 0.00 -2.87 0.00 0.00 58.31 55.56 3kow n LYS 49 Cb 0.53 -1.76 0.19 0.00 -1.84 0.00 0.00 35.03 32.14 3kow n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kow n ASP 50 N -3.21 2.16 -4.95 4.39 8.00 -1.26 -4.68 116.55 117.00 3kow n ASP 50 Ca -0.22 -3.88 -0.25 0.00 0.71 0.00 0.00 54.79 51.14 3kow n ASP 50 Cb 1.05 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 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 -3.28 3.90 0.54 2.24 0.00 -1.26 -2.60 121.76 121.31 3kow s ALA 51 Ca 0.40 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.42 3kow s ALA 51 Cb 0.38 -1.85 0.06 0.00 0.00 0.00 0.00 23.12 21.71 3kow s ALA 51 CO -0.05 0.40 0.60 -1.54 0.00 0.00 0.00 175.76 175.17 3kow s SER 52 N -3.45 4.94 0.32 0.00 1.04 0.20 -2.89 113.70 113.86 3kow s SER 52 Ca 0.36 -0.97 -0.29 0.00 0.48 0.00 0.00 55.95 55.52 3kow s SER 52 Cb -0.10 0.23 -0.12 0.00 0.10 0.00 0.00 66.02 66.13 3kow s SER 52 CO 0.29 -1.17 1.44 0.41 0.98 0.00 0.00 173.24 175.18 3kow n THR 53 N -1.99 1.56 -2.71 2.02 -1.04 -0.78 -4.25 114.28 107.09 3kow n THR 53 Ca 0.08 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.05 61.36 3kow n THR 53 Cb 0.62 -1.75 -0.06 0.00 -1.82 0.00 0.00 70.33 67.33 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 -1.32 4.10 0.44 -2.82 0.02 -1.26 -4.73 135.00 129.43 3kow s PRO 54 Ca 0.59 1.23 -0.22 0.00 0.02 0.00 0.00 61.00 62.63 3kow s PRO 54 Cb -0.54 -2.21 -0.09 0.00 0.02 0.00 0.00 34.50 31.68 3kow s PRO 54 CO 0.57 -0.15 1.03 -0.51 -0.33 0.00 0.00 177.00 177.61 3kow s LEU 55 N -3.19 4.01 0.10 -5.54 1.43 -1.26 -4.98 118.68 109.25 3kow s LEU 55 Ca 0.63 1.96 -0.18 0.00 -1.03 0.00 0.00 54.13 55.50 3kow s LEU 55 Cb -0.13 -4.37 -0.07 0.00 0.03 0.00 0.00 46.19 41.66 3kow s LEU 55 CO 0.17 -0.59 1.60 -0.33 0.23 0.00 0.00 176.35 177.43 3kow h GLU 56 N 2.08 0.42 -5.74 1.70 5.08 -1.60 -3.44 114.58 113.08 3kow h GLU 56 Ca -0.49 -0.10 -0.49 0.00 -1.00 0.00 0.00 59.36 57.29 3kow h GLU 56 Cb 1.21 -0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.25 3kow h GLU 56 CO 0.61 0.51 -0.76 -0.80 -1.00 0.00 0.00 179.01 177.57 3kow s ASN 57 N -5.79 2.64 0.00 1.42 0.01 -1.23 -5.06 114.94 106.93 3kow s ASN 57 Ca -0.14 -0.94 0.00 0.00 -0.71 0.00 0.00 52.86 51.07 3kow s ASN 57 Cb 0.08 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.59 3kow s ASN 57 CO 0.73 -0.10 0.00 -1.54 -1.51 0.00 0.00 177.10 174.68 3kow n SER 58 N -0.07 0.00 -4.53 -1.22 3.41 -1.26 -4.73 113.62 105.22 3kow n SER 58 Ca -0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.13 3kow n SER 58 Cb 0.59 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.42 3kow n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kow s VAL 59 N -2.00 4.95 0.57 -3.33 1.01 -0.79 -5.04 120.40 115.77 3kow s VAL 59 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 3kow s VAL 59 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3kow s VAL 59 CO 0.00 0.22 1.04 0.00 0.00 0.00 0.00 175.10 176.36 3kow s ALA 60 N 1.70 2.83 0.56 5.51 0.00 -1.26 -4.75 121.76 126.35 3kow s ALA 60 Ca 0.06 0.34 -0.21 0.00 0.00 0.00 0.00 51.96 52.16 3kow s ALA 60 Cb -0.16 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3kow s ALA 60 CO 0.08 -0.65 1.36 -0.51 0.00 0.00 0.00 175.76 176.05 3kow s LEU 61 N -4.36 3.81 0.14 0.00 1.43 -1.26 -4.88 118.68 113.56 3kow s LEU 61 Ca 0.62 2.77 -0.26 0.00 -1.03 0.00 0.00 54.13 56.24 3kow s LEU 61 Cb -0.14 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 3kow s LEU 61 CO 0.35 -1.66 1.33 -2.65 0.23 0.00 0.00 176.35 173.96 3kow n PRO 62 N -1.16 -0.36 0.00 1.29 -0.02 -1.26 -0.08 135.00 133.41 3kow n PRO 62 Ca 0.11 1.31 0.00 0.00 -2.02 0.00 0.00 63.50 62.90 3kow n PRO 62 Cb 0.45 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3kow n PRO 62 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kow n SER 63 N -5.10 0.03 -0.02 2.55 7.64 -1.26 -2.42 113.62 115.05 3kow n SER 63 Ca 0.02 -0.86 0.13 0.00 1.01 0.00 0.00 58.87 59.18 3kow n SER 63 Cb 0.24 -0.02 0.51 0.00 -1.01 0.00 0.00 64.21 63.93 3kow n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kow n ALA 64 N -0.44 2.78 -0.11 -0.43 0.00 0.89 -3.57 120.51 119.63 3kow n ALA 64 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.20 3kow n ALA 64 Cb 0.01 -1.34 0.19 0.00 0.00 0.00 0.00 19.45 18.31 3kow n ALA 64 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3kow h LYS 65 N 0.10 0.78 -0.25 0.00 2.10 -1.67 -0.99 116.57 116.64 3kow h LYS 65 Ca 0.00 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 3kow h LYS 65 Cb 0.47 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 3kow h LYS 65 CO 0.00 0.75 0.00 0.66 -2.00 0.00 0.00 179.45 178.86 3kow n TYR 66 N -4.25 0.00 -0.89 0.07 4.01 -1.23 -3.26 117.16 111.60 3kow n TYR 66 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3kow n TYR 66 Cb 0.26 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.29 0.00 -1.09 -0.72 3.72 -0.46 -5.04 117.46 113.58 3kow n PHE 67 Ca 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3kow n PHE 67 Cb 0.06 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.01 0.73 2.20 1.37 0.00 -1.07 -4.38 105.19 104.03 3kow n GLY 68 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 0.12 -0.71 -4.76 1.61 10.43 -0.70 -4.89 116.55 117.66 3kow n ASP 69 Ca 0.00 -0.11 -0.37 0.00 2.57 0.00 0.00 54.79 56.88 3kow n ASP 69 Cb 0.24 -0.66 0.03 0.00 1.84 0.00 0.00 41.12 42.56 3kow n ASP 69 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3kow s ILE 70 N -1.53 2.48 -0.35 0.53 -4.36 -1.26 -4.78 121.20 111.93 3kow s ILE 70 Ca 0.18 0.34 0.01 0.00 -0.26 0.00 0.00 60.65 60.92 3kow s ILE 70 Cb -0.11 -3.17 0.14 0.00 1.25 0.00 0.00 42.46 40.58 3kow s ILE 70 CO 0.22 -0.02 0.28 -0.62 0.24 0.00 0.00 174.94 175.05 3kow s ASP 71 N -1.21 2.13 0.53 4.36 2.15 -1.26 -4.76 116.67 118.62 3kow s ASP 71 Ca 0.71 -1.77 -0.20 0.00 0.43 0.00 0.00 52.55 51.72 3kow s ASP 71 Cb -0.35 0.08 -0.06 0.00 -0.30 0.00 0.00 42.92 42.29 3kow s ASP 71 CO 0.41 -0.30 1.12 -2.84 -0.17 0.00 0.00 175.17 173.39 3kow s PRO 72 N 1.38 3.42 -0.06 4.34 0.02 -1.26 -4.69 135.00 138.14 3kow s PRO 72 Ca 0.16 1.58 0.04 0.00 0.02 0.00 0.00 61.00 62.80 3kow s PRO 72 Cb -0.19 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 3kow s PRO 72 CO -0.05 -0.79 -0.16 -0.65 -0.33 0.00 0.00 177.00 175.01 3kow s GLN 73 N -3.27 2.65 0.83 5.54 -1.52 -1.26 -5.03 119.66 117.60 3kow s GLN 73 Ca 0.72 -0.74 -0.12 0.00 -1.95 0.00 0.00 55.36 53.27 3kow s GLN 73 Cb -0.23 -2.37 0.09 0.00 -0.22 0.00 0.00 33.01 30.28 3kow s GLN 73 CO 0.26 0.51 1.14 -1.25 -0.25 0.00 0.00 175.29 175.70 3kow s PRO 74 N -0.44 1.80 0.19 2.91 0.04 -1.26 0.58 135.00 138.82 3kow s PRO 74 Ca 0.05 0.32 0.08 0.00 0.04 0.00 0.00 61.00 61.48 3kow s PRO 74 Cb -0.12 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.58 3kow s PRO 74 CO 0.02 -1.75 1.44 1.37 0.04 0.00 0.00 177.00 178.12 3kow h LEU 75 N -1.17 0.05 -9.84 -3.56 -0.00 -1.77 -3.33 115.31 95.69 3kow h LEU 75 Ca -0.48 -0.04 -0.51 0.00 -0.00 0.00 0.00 57.88 56.85 3kow h LEU 75 Cb 1.31 -0.02 0.03 0.00 -0.00 0.00 0.00 40.66 41.98 3kow h LEU 75 CO 0.63 0.84 0.50 -2.84 -0.00 0.00 0.00 178.44 177.57 3kow s PRO 76 N -3.20 4.53 0.11 0.17 0.02 -1.26 -4.61 135.00 130.76 3kow s PRO 76 Ca -0.01 1.87 -0.31 0.00 0.02 0.00 0.00 61.00 62.57 3kow s PRO 76 Cb 0.11 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.43 3kow s PRO 76 CO 0.80 0.09 1.76 0.08 -0.33 0.00 0.00 177.00 179.40 3kow s VAL 77 N -1.20 2.69 -0.26 3.83 1.01 -0.70 -4.74 120.40 121.04 3kow s VAL 77 Ca 0.47 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 3kow s VAL 77 Cb -0.33 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3kow s VAL 77 CO 0.43 0.00 0.22 -0.63 0.00 0.00 0.00 175.10 175.12 3kow s ILE 78 N 2.65 5.30 0.18 2.22 -1.09 -1.26 0.13 121.20 129.32 3kow s ILE 78 Ca 0.78 0.27 -0.06 0.00 -2.23 0.00 0.00 60.65 59.42 3kow s ILE 78 Cb -0.44 -3.56 -0.06 0.00 -1.58 0.00 0.00 42.46 36.82 3kow s ILE 78 CO 0.35 0.27 0.43 -0.89 -1.23 0.00 0.00 174.94 173.87 3kow s THR 79 N 1.52 5.10 -0.02 2.92 2.01 0.28 -2.73 115.64 124.72 3kow s THR 79 Ca 0.09 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.23 3kow s THR 79 Cb -0.15 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.75 3kow s THR 79 CO 0.08 -0.02 0.02 0.28 -0.69 0.00 0.00 174.62 174.29 3kow s THR 80 N -1.74 -0.02 -0.23 -0.82 -1.32 -0.85 -3.32 115.64 107.33 3kow s THR 80 Ca 0.43 0.15 -0.20 0.00 -1.21 0.00 0.00 61.69 60.86 3kow s THR 80 Cb -0.12 -0.08 -0.02 0.00 -1.51 0.00 0.00 72.50 70.77 3kow s THR 80 CO 0.24 0.07 0.63 -1.61 -2.21 0.00 0.00 174.62 171.74 3kow s GLU 81 N 0.81 4.15 -0.16 7.08 2.02 -1.26 -1.92 118.70 129.42 3kow s GLU 81 Ca -0.07 0.57 -0.02 0.00 0.02 0.00 0.00 54.97 55.47 3kow s GLU 81 Cb -0.10 -3.62 0.05 0.00 0.10 0.00 0.00 34.13 30.56 3kow s GLU 81 CO -0.02 -0.35 0.00 0.42 0.02 0.00 0.00 175.26 175.34 3kow s ILE 82 N 2.28 0.66 -0.39 -1.63 1.01 -0.66 -4.97 121.20 117.50 3kow s ILE 82 Ca 0.27 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 3kow s ILE 82 Cb -0.16 -1.00 0.21 0.00 0.01 0.00 0.00 42.46 41.52 3kow s ILE 82 CO 0.09 -0.02 1.01 0.00 0.00 0.00 0.00 174.94 176.02 3kow n ALA 83 N 5.02 -3.19 0.09 9.38 0.00 -1.26 -4.32 120.51 126.23 3kow n ALA 83 Ca -0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 52.99 3kow n ALA 83 Cb 0.48 -2.75 -0.02 0.00 0.00 0.00 0.00 19.45 17.16 3kow n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kow h SER 84 N 4.33 0.06 0.00 0.00 4.64 -1.94 -3.30 113.55 117.35 3kow h SER 84 Ca -0.01 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kow h SER 84 Cb 1.15 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kow h SER 84 CO -0.07 0.91 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 3kow n GLY 85 N 0.97 1.52 2.91 -0.77 0.00 -1.23 -4.35 105.19 104.23 3kow n GLY 85 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 1.49 0.23 1.61 0.52 -1.26 -1.68 118.95 119.85 3kow s ARG 86 Ca 0.00 -2.02 0.12 0.00 -0.52 0.00 0.00 55.73 53.31 3kow s ARG 86 Cb 0.00 -2.93 0.65 0.00 0.52 0.00 0.00 34.95 33.19 3kow s ARG 86 CO 0.00 -1.03 1.30 1.97 0.02 0.00 0.00 175.30 177.55 3kow n PHE 87 N 3.87 0.41 0.07 -0.53 1.16 -1.26 -1.59 117.46 119.59 3kow n PHE 87 Ca 0.04 0.21 0.04 0.00 -1.87 0.00 0.00 57.45 55.88 3kow n PHE 87 Cb 0.38 -0.73 -0.04 0.00 -1.61 0.00 0.00 39.48 37.48 3kow n PHE 87 CO 0.00 0.00 0.00 1.05 -1.87 0.00 0.00 176.76 175.94 3kow h GLU 88 N 0.00 0.00 0.07 3.97 9.09 -1.99 -2.06 114.58 123.66 3kow h GLU 88 Ca 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.16 3kow h GLU 88 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 3kow h GLU 88 CO 0.00 0.20 -1.09 -0.44 0.05 0.00 0.00 179.01 177.73 3kow h ASP 89 N 0.00 0.42 0.64 3.06 3.32 -1.62 -3.36 116.42 118.88 3kow h ASP 89 Ca -0.09 -0.40 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 3kow h ASP 89 Cb 1.35 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3kow h ASP 89 CO 0.03 1.25 -0.62 0.44 -1.72 0.00 0.00 179.24 178.63 3kow h ASP 90 N 0.12 0.00 -0.98 6.45 3.32 -1.45 -2.10 116.42 121.79 3kow h ASP 90 Ca -0.10 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.10 3kow h ASP 90 Cb 1.78 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 41.23 3kow h ASP 90 CO 0.18 0.62 0.60 0.40 -1.72 0.00 0.00 179.24 179.31 3kow h ILE 91 N 0.00 0.82 -0.54 0.35 2.04 -1.51 -0.34 117.51 118.33 3kow h ILE 91 Ca -0.01 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 3kow h ILE 91 Cb 1.10 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3kow h ILE 91 CO 0.08 0.16 0.01 0.03 0.00 0.00 0.00 178.15 178.42 3kow h ARG 92 N 0.87 0.92 0.00 2.37 3.08 -1.57 -2.26 114.38 117.80 3kow h ARG 92 Ca 0.52 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3kow h ARG 92 Cb 0.64 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3kow h ARG 92 CO -0.32 0.91 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.37 3kow h ARG 93 N 0.85 0.00 0.00 0.04 2.43 -1.01 -2.34 114.38 114.35 3kow h ARG 93 Ca 0.16 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 3kow h ARG 93 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3kow h ARG 93 CO 0.02 0.03 -0.57 0.52 -1.51 0.00 0.00 179.97 178.46 3kow h MET 94 N 0.00 0.00 -0.21 0.20 2.86 -0.59 -2.52 114.93 114.66 3kow h MET 94 Ca -0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 3kow h MET 94 Cb 0.57 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.23 3kow h MET 94 CO 0.00 0.57 -0.64 -0.09 1.06 0.00 0.00 176.91 177.82 3kow h ARG 95 N 0.00 0.81 0.28 1.72 2.43 -1.31 -1.80 114.38 116.52 3kow h ARG 95 Ca -0.01 -0.58 -0.01 0.00 -0.81 0.00 0.00 59.98 58.57 3kow h ARG 95 Cb 1.36 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.00 3kow h ARG 95 CO 0.07 1.20 -0.19 0.52 -1.51 0.00 0.00 179.97 180.07 3kow h MET 96 N 0.56 -0.45 -0.93 0.20 2.86 -1.52 -2.12 114.93 113.53 3kow h MET 96 Ca -0.02 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.76 3kow h MET 96 Cb 1.26 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.95 3kow h MET 96 CO 0.14 -0.30 0.60 0.00 1.06 0.00 0.00 176.91 178.40 3kow h ALA 97 N 0.22 1.61 -0.52 6.32 0.00 -1.49 -2.11 119.26 123.30 3kow h ALA 97 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3kow h ALA 97 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3kow h ALA 97 CO 0.01 0.19 0.10 0.00 0.00 0.00 0.00 179.25 179.55 3kow h ALA 98 N 1.55 1.20 0.00 0.00 0.00 -1.03 -1.59 119.26 119.39 3kow h ALA 98 Ca 0.44 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3kow h ALA 98 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kow h ALA 98 CO -0.20 0.54 -0.29 -1.49 0.00 0.00 0.00 179.25 177.81 3kow h TRP 99 N 0.77 0.00 -0.81 0.00 4.06 -0.71 -3.12 115.95 116.14 3kow h TRP 99 Ca 0.17 0.00 -0.43 0.00 2.06 0.00 0.00 58.89 60.68 3kow h TRP 99 Cb 0.32 0.00 -0.25 0.00 -1.00 0.00 0.00 29.16 28.23 3kow h TRP 99 CO 0.02 0.29 0.55 0.72 -3.56 0.00 0.00 178.44 176.45 3kow n HIS 100 N -3.45 2.51 -0.11 0.49 8.25 -0.75 -1.89 115.22 120.26 3kow n HIS 100 Ca -0.00 -1.68 0.00 0.00 -0.26 0.00 0.00 57.72 55.78 3kow n HIS 100 Cb 0.46 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 -0.81 2.26 3.76 -1.41 0.00 -1.18 -4.47 105.19 103.34 3kow n GLY 101 Ca 0.49 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.94 3.56 0.00 4.61 0.00 -0.67 -4.71 121.76 121.60 3kow s ALA 102 Ca 0.00 1.32 0.17 0.00 0.00 0.00 0.00 51.96 53.45 3kow s ALA 102 Cb 0.00 -3.52 0.28 0.00 0.00 0.00 0.00 23.12 19.88 3kow s ALA 102 CO 0.00 -0.72 1.10 -0.40 0.00 0.00 0.00 175.76 175.74 3kow n ASP 103 N 1.45 0.60 -3.29 0.00 5.75 -1.10 -4.27 116.55 115.69 3kow n ASP 103 Ca 0.03 -1.98 -0.08 0.00 -0.01 0.00 0.00 54.79 52.76 3kow n ASP 103 Cb 0.41 -0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 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 0.00 -1.10 -0.24 2.11 5.04 -1.19 -2.18 115.29 117.73 3kow s HIS 104 Ca 0.22 0.39 -0.17 0.00 -1.54 0.00 0.00 55.06 53.96 3kow s HIS 104 Cb 0.26 -0.11 -0.03 0.00 0.04 0.00 0.00 32.58 32.74 3kow s HIS 104 CO -0.11 -1.00 0.48 0.42 -2.34 0.00 0.00 174.74 172.19 3kow s ILE 105 N 2.56 5.11 -0.25 0.89 -1.09 -0.32 -2.01 121.20 126.08 3kow s ILE 105 Ca 0.10 0.83 -0.05 0.00 -2.23 0.00 0.00 60.65 59.31 3kow s ILE 105 Cb -0.12 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 3kow s ILE 105 CO -0.29 0.13 0.00 -0.32 -1.23 0.00 0.00 174.94 173.23 3kow s MET 106 N 2.02 3.20 -0.29 2.79 -2.45 -0.81 -2.09 119.30 121.67 3kow s MET 106 Ca 0.21 -0.76 -0.18 0.00 -1.25 0.00 0.00 55.69 53.71 3kow s MET 106 Cb -0.15 -3.14 -0.02 0.00 1.25 0.00 0.00 34.83 32.76 3kow s MET 106 CO 0.09 -0.32 0.51 0.08 1.05 0.00 0.00 175.02 176.44 3kow s VAL 107 N 1.46 5.05 0.34 10.11 1.01 -0.45 -1.65 120.40 136.27 3kow s VAL 107 Ca 0.04 0.70 -0.26 0.00 0.00 0.00 0.00 61.98 62.46 3kow s VAL 107 Cb -0.16 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 3kow s VAL 107 CO -0.01 -0.02 0.99 -0.63 0.00 0.00 0.00 175.10 175.43 3kow s ILE 108 N 2.35 3.98 0.87 2.22 1.01 -1.26 -4.45 121.20 125.92 3kow s ILE 108 Ca 0.20 1.65 -0.12 0.00 0.00 0.00 0.00 60.65 62.38 3kow s ILE 108 Cb -0.15 -3.92 0.11 0.00 0.01 0.00 0.00 42.46 38.51 3kow s ILE 108 CO 0.11 0.13 1.14 -0.13 0.00 0.00 0.00 174.94 176.19 3kow s ARG 109 N -2.10 1.51 0.51 2.79 0.52 -1.26 -1.61 118.95 119.31 3kow s ARG 109 Ca 0.52 0.30 -0.18 0.00 -0.52 0.00 0.00 55.73 55.84 3kow s ARG 109 Cb -0.21 -1.88 -0.08 0.00 0.52 0.00 0.00 34.95 33.30 3kow s ARG 109 CO 0.27 -1.95 1.01 -0.08 0.02 0.00 0.00 175.30 174.57 3kow s THR 110 N -3.34 4.10 -0.55 0.02 -1.32 -0.97 -3.71 115.64 109.87 3kow s THR 110 Ca 0.63 1.15 -0.26 0.00 -1.21 0.00 0.00 61.69 62.00 3kow s THR 110 Cb -0.14 -3.53 -0.07 0.00 -1.51 0.00 0.00 72.50 67.25 3kow s THR 110 CO 0.52 -0.43 2.31 0.00 -2.21 0.00 0.00 174.62 174.82 3kow s ALA 111 N -2.30 1.60 0.00 11.08 0.00 -0.56 -2.14 121.76 129.46 3kow s ALA 111 Ca 0.63 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3kow s ALA 111 Cb -0.13 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.62 3kow s ALA 111 CO 0.25 -4.56 0.00 0.41 0.00 0.00 0.00 175.76 171.87 3kow n GLY 112 N 6.07 1.06 0.32 0.00 0.00 -1.26 -4.99 105.19 106.38 3kow n GLY 112 Ca 0.35 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.53 3kow n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kow h GLN 113 N 0.94 0.00 0.00 1.61 4.15 -1.81 0.77 115.11 120.77 3kow h GLN 113 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3kow h GLN 113 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3kow h GLN 113 CO 0.00 0.00 0.07 0.77 -1.93 0.00 0.00 178.83 177.74 3kow h SER 114 N 0.00 0.00 0.00 -0.69 0.02 -1.86 -3.05 113.55 107.96 3kow h SER 114 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3kow h SER 114 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3kow h SER 114 CO 0.00 0.00 -1.82 1.41 -1.14 0.00 0.00 176.83 175.28 3kow n HIS 115 N -2.40 0.00 -1.67 3.45 8.25 0.27 -1.02 115.22 122.09 3kow n HIS 115 Ca -0.02 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.00 3kow n HIS 115 Cb 0.11 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 30.74 3kow n HIS 115 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kow n TYR 116 N -2.15 2.45 -2.28 4.41 4.01 -1.16 -4.88 117.16 117.57 3kow n TYR 116 Ca -0.06 -0.15 -0.42 0.00 -0.16 0.00 0.00 57.90 57.11 3kow n TYR 116 Cb 0.51 -2.72 0.00 0.00 -0.31 0.00 0.00 39.34 36.82 3kow n TYR 116 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3kow n ASP 117 N 6.53 5.80 0.00 7.72 2.03 -1.26 -3.90 116.55 133.47 3kow n ASP 117 Ca 0.20 -3.13 0.00 0.00 0.52 0.00 0.00 54.79 52.38 3kow n ASP 117 Cb 0.35 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 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 2.49 3.00 3.77 0.27 0.00 -1.26 -5.00 105.19 108.47 3kow n GLY 118 Ca 0.44 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 3kow n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kow s LEU 119 N 0.00 4.02 0.52 0.99 1.43 -1.26 -4.94 118.68 119.43 3kow s LEU 119 Ca 0.00 2.27 0.05 0.00 -1.03 0.00 0.00 54.13 55.43 3kow s LEU 119 Cb 0.00 -4.25 0.04 0.00 0.03 0.00 0.00 46.19 42.02 3kow s LEU 119 CO 0.00 -0.88 0.71 0.27 0.23 0.00 0.00 176.35 176.68 3kow s ILE 120 N -1.56 2.67 0.21 -0.59 -4.36 -1.26 -5.15 121.20 111.15 3kow s ILE 120 Ca 0.63 -0.85 0.03 0.00 -0.26 0.00 0.00 60.65 60.20 3kow s ILE 120 Cb -0.28 -2.82 -0.05 0.00 1.25 0.00 0.00 42.46 40.56 3kow s ILE 120 CO 0.34 0.00 0.00 -1.61 0.24 0.00 0.00 174.94 173.91 3kow s GLU 121 N -4.61 1.24 2.65 0.37 0.41 -1.26 -4.54 118.70 112.95 3kow s GLU 121 Ca 0.58 -1.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.53 3kow s GLU 121 Cb -0.09 -0.45 0.00 0.00 -1.78 0.00 0.00 34.13 31.81 3kow s GLU 121 CO 0.37 -0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.43 3kow n GLY 122 N -0.34 -0.58 2.58 -1.39 0.00 -1.20 -4.51 105.19 99.74 3kow n GLY 122 Ca -0.06 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 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 1.53 -1.56 2.61 -2.24 -1.26 -4.60 114.28 108.75 3kow n THR 123 Ca 0.00 -5.05 -0.40 0.00 -2.27 0.00 0.00 64.05 56.33 3kow n THR 123 Cb 0.00 -0.82 0.03 0.00 -2.10 0.00 0.00 70.33 67.43 3kow n THR 123 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kow n PRO 124 N -0.01 0.95 -2.90 -0.78 -0.02 -1.26 -3.79 135.00 127.20 3kow n PRO 124 Ca 0.28 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 3kow n PRO 124 Cb 0.53 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 3kow n PRO 124 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3kow s GLN 125 N -2.17 4.41 0.55 -0.52 0.74 -1.26 -4.49 119.66 116.92 3kow s GLN 125 Ca 0.68 1.08 0.05 0.00 0.05 0.00 0.00 55.36 57.21 3kow s GLN 125 Cb -0.50 -3.50 0.10 0.00 1.10 0.00 0.00 33.01 30.21 3kow s GLN 125 CO 0.54 -0.13 0.76 0.41 -0.55 0.00 0.00 175.29 176.32 3kow n GLY 126 N 3.19 1.46 3.03 2.59 0.00 -0.68 -4.96 105.19 109.82 3kow n GLY 126 Ca 0.03 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.32 2.02 -1.58 -0.61 -1.09 -1.26 -4.72 121.20 111.64 3kow s ILE 127 Ca 0.55 -1.64 -0.12 0.00 -2.23 0.00 0.00 60.65 57.21 3kow s ILE 127 Cb -0.04 -2.22 0.10 0.00 -1.58 0.00 0.00 42.46 38.72 3kow s ILE 127 CO 0.35 -0.13 0.70 0.61 -1.23 0.00 0.00 174.94 175.24 3kow n GLY 128 N 4.47 -0.38 0.00 6.18 0.00 -1.26 -1.49 105.19 112.70 3kow n GLY 128 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.64 1.56 3.62 -0.02 0.00 -1.24 -4.56 105.19 102.91 3kow n GLY 129 Ca -0.06 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 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 4.76 0.37 1.61 1.01 -0.63 -3.48 120.40 122.03 3kow s VAL 130 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 3kow s VAL 130 Cb 0.00 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 3kow s VAL 130 CO 0.00 0.45 1.42 -2.84 0.00 0.00 0.00 175.10 174.12 3kow s PRO 131 N 0.49 4.17 -0.35 2.72 0.02 -1.26 -2.30 135.00 138.49 3kow s PRO 131 Ca 0.03 2.43 -0.13 0.00 0.02 0.00 0.00 61.00 63.35 3kow s PRO 131 Cb -0.13 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.40 3kow s PRO 131 CO 0.01 -0.42 0.25 0.42 -0.33 0.00 0.00 177.00 176.92 3kow s ILE 132 N -1.14 5.28 0.12 2.83 -1.09 -1.26 -4.93 121.20 121.02 3kow s ILE 132 Ca 0.52 -0.27 -0.02 0.00 -2.23 0.00 0.00 60.65 58.65 3kow s ILE 132 Cb -0.44 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 3kow s ILE 132 CO 0.59 -0.05 0.06 0.42 -1.23 0.00 0.00 174.94 174.74 3kow s THR 133 N 1.72 0.12 0.27 2.92 -4.23 -1.26 -4.55 115.64 110.62 3kow s THR 133 Ca 0.06 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 3kow s THR 133 Cb -0.18 -1.95 0.27 0.00 1.34 0.00 0.00 72.50 71.99 3kow s THR 133 CO 0.10 -0.53 1.91 -0.09 -0.54 0.00 0.00 174.62 175.47 3kow h ARG 134 N 2.88 1.17 -0.38 3.99 2.43 -1.87 -0.62 114.38 121.97 3kow h ARG 134 Ca -0.35 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 3kow h ARG 134 Cb 1.19 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 3kow h ARG 134 CO 0.59 0.77 0.11 -0.22 -1.51 0.00 0.00 179.97 179.71 3kow h LYS 135 N 1.20 0.60 -0.41 0.20 3.64 -1.84 0.26 116.57 120.23 3kow h LYS 135 Ca 0.40 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 3kow h LYS 135 Cb 0.07 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3kow h LYS 135 CO -0.14 0.62 0.07 0.37 -2.27 0.00 0.00 179.45 178.10 3kow h GLN 136 N 0.47 0.68 -0.45 1.90 -0.00 -1.68 0.17 115.11 116.19 3kow h GLN 136 Ca 0.12 -0.18 -0.09 0.00 -0.00 0.00 0.00 58.65 58.50 3kow h GLN 136 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.66 3kow h GLN 136 CO -0.00 0.72 -0.09 0.28 0.00 0.00 0.00 178.83 179.74 3kow h VAL 137 N 0.53 1.26 0.04 2.39 2.07 -1.05 -1.96 116.25 119.52 3kow h VAL 137 Ca 0.12 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 3kow h VAL 137 Cb 0.37 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3kow h VAL 137 CO 0.01 0.40 -0.02 0.03 0.02 0.00 0.00 177.57 178.01 3kow h ARG 138 N 0.74 -0.06 -0.14 1.57 3.08 -0.78 -0.84 114.38 117.94 3kow h ARG 138 Ca 0.13 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.21 3kow h ARG 138 Cb 0.58 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 3kow h ARG 138 CO 0.04 0.27 -0.40 0.00 -1.07 0.00 0.00 179.97 178.81 3kow h ALA 139 N 0.55 -0.74 -0.41 0.04 0.00 -0.52 0.49 119.26 118.66 3kow h ALA 139 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kow h ALA 139 Cb 0.35 0.92 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3kow h ALA 139 CO 0.01 -0.90 0.23 1.96 0.00 0.00 0.00 179.25 180.55 3kow h GLN 140 N -0.39 0.56 -0.10 0.00 4.20 -1.43 -1.28 115.11 116.67 3kow h GLN 140 Ca 0.03 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.71 3kow h GLN 140 Cb 0.48 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 3kow h GLN 140 CO -0.34 0.44 0.07 -0.09 -0.67 0.00 0.00 178.83 178.24 3kow h ARG 141 N 0.53 0.00 0.03 1.46 9.65 -0.97 0.09 114.38 125.17 3kow h ARG 141 Ca 0.14 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.77 3kow h ARG 141 Cb 0.04 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.63 3kow h ARG 141 CO -0.02 0.00 -1.05 -0.22 2.80 0.00 0.00 179.97 181.47 3kow h LYS 142 N 0.00 0.52 -0.16 0.20 3.64 -0.23 -2.92 116.57 117.62 3kow h LYS 142 Ca 0.05 -0.61 -0.05 0.00 -1.27 0.00 0.00 60.65 58.77 3kow h LYS 142 Cb 0.20 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3kow h LYS 142 CO -0.00 1.23 -0.10 0.00 -2.27 0.00 0.00 179.45 178.31 3kow h ALA 143 N 0.55 0.22 0.00 5.00 0.00 -0.62 -2.98 119.26 121.43 3kow h ALA 143 Ca -0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kow h ALA 143 Cb 1.71 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 3kow h ALA 143 CO 0.19 0.06 -0.01 -0.07 0.00 0.00 0.00 179.25 179.42 3kow h LEU 144 N -0.00 0.00 -0.86 0.00 3.38 -1.06 0.16 115.31 116.93 3kow h LEU 144 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3kow h LEU 144 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3kow h LEU 144 CO 0.03 0.01 -0.15 0.44 0.09 0.00 0.00 178.44 178.87 3kow h ASP 145 N 0.00 0.68 0.41 -0.43 3.32 -1.36 0.86 116.42 119.91 3kow h ASP 145 Ca -0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 3kow h ASP 145 Cb 0.03 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3kow h ASP 145 CO 0.00 0.84 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.10 3kow h LEU 146 N 0.62 -0.47 -0.99 1.55 3.38 -0.68 -3.01 115.31 115.71 3kow h LEU 146 Ca 0.10 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.34 3kow h LEU 146 Cb 0.60 0.12 -0.19 0.00 0.09 0.00 0.00 40.66 41.29 3kow h LEU 146 CO 0.04 -0.22 -0.07 -0.38 0.09 0.00 0.00 178.44 177.90 3kow n ILE 147 N -4.15 -0.42 0.50 1.22 5.41 -0.53 -0.15 119.36 121.24 3kow n ILE 147 Ca -0.07 2.22 0.12 0.00 1.00 0.00 0.00 62.75 66.01 3kow n ILE 147 Cb 0.22 -3.18 0.46 0.00 -0.71 0.00 0.00 39.64 36.43 3kow n ILE 147 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3kow n GLU 148 N -5.53 0.17 0.06 0.38 0.28 0.29 -1.27 120.64 115.03 3kow n GLU 148 Ca 0.21 0.32 -0.19 0.00 -0.16 0.00 0.00 57.16 57.34 3kow n GLU 148 Cb 0.68 -1.78 -0.10 0.00 1.43 0.00 0.00 31.44 31.66 3kow n GLU 148 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3kow h GLU 149 N 0.00 0.61 0.29 3.44 5.08 -0.40 -2.56 114.58 121.04 3kow h GLU 149 Ca 0.00 -0.71 -0.01 0.00 -1.00 0.00 0.00 59.36 57.64 3kow h GLU 149 Cb 0.45 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3kow h GLU 149 CO 0.00 1.30 -0.14 1.49 -1.00 0.00 0.00 179.01 180.66 3kow h GLU 150 N 0.32 -0.37 0.00 2.33 4.81 -0.48 -3.13 114.58 118.05 3kow h GLU 150 Ca -0.14 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3kow h GLU 150 Cb 1.74 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 31.21 3kow h GLU 150 CO 0.21 -0.25 -0.05 -0.39 -0.73 0.00 0.00 179.01 177.79 3kow h VAL 151 N -0.42 0.41 -2.11 0.32 -1.51 -1.54 -3.38 116.25 108.02 3kow h VAL 151 Ca -0.04 -0.28 -0.03 0.00 -1.23 0.00 0.00 66.70 65.12 3kow h VAL 151 Cb 0.30 1.19 0.01 0.00 -2.13 0.00 0.00 31.29 30.66 3kow h VAL 151 CO 0.07 0.05 -0.07 0.61 -1.23 0.00 0.00 177.57 177.00 3kow n GLY 152 N -0.90 0.48 3.21 5.19 0.00 -1.13 -1.80 105.19 110.24 3kow n GLY 152 Ca -0.02 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.36 0.09 0.41 1.61 3.00 -0.98 -4.60 118.95 114.13 3kow s ARG 153 Ca 0.01 0.22 -0.24 0.00 -1.00 0.00 0.00 55.73 54.72 3kow s ARG 153 Cb -0.01 0.13 -0.11 0.00 0.00 0.00 0.00 34.95 34.96 3kow s ARG 153 CO 0.06 -0.05 0.94 -2.30 0.00 0.00 0.00 175.30 173.95 3kow n PRO 154 N 4.89 1.22 -4.94 5.12 -0.02 -1.26 -4.75 135.00 135.26 3kow n PRO 154 Ca -0.07 0.44 -0.32 0.00 -2.02 0.00 0.00 63.50 61.53 3kow n PRO 154 Cb 0.55 -1.94 -0.17 0.00 -0.02 0.00 0.00 33.50 31.92 3kow n PRO 154 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kow s ILE 155 N -1.28 1.97 -0.08 4.25 1.01 -1.26 -4.92 121.20 120.89 3kow s ILE 155 Ca 0.63 -0.95 -0.27 0.00 0.00 0.00 0.00 60.65 60.06 3kow s ILE 155 Cb -0.58 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 3kow s ILE 155 CO 0.57 0.54 0.85 0.20 0.00 0.00 0.00 174.94 177.10 3kow s ASN 156 N 0.57 7.12 0.13 3.58 0.01 -0.92 -4.96 114.94 120.46 3kow s ASN 156 Ca -0.14 1.36 -0.07 0.00 -0.71 0.00 0.00 52.86 53.31 3kow s ASN 156 Cb -0.17 -2.49 -0.06 0.00 0.41 0.00 0.00 41.25 38.95 3kow s ASN 156 CO 0.04 -0.27 0.40 -0.47 -1.51 0.00 0.00 177.10 175.29 3kow s TYR 157 N 1.38 3.50 -0.28 2.20 5.04 -1.26 -1.17 117.35 126.75 3kow s TYR 157 Ca 0.43 0.65 -0.15 0.00 -2.44 0.00 0.00 57.07 55.57 3kow s TYR 157 Cb -0.18 -2.07 0.09 0.00 0.35 0.00 0.00 41.96 40.14 3kow s TYR 157 CO 0.19 0.44 0.68 -1.58 -1.34 0.00 0.00 175.55 173.95 3kow s HIS 158 N -1.60 -1.13 0.00 4.97 5.65 -0.89 -0.73 115.29 121.56 3kow s HIS 158 Ca 0.39 2.18 0.00 0.00 0.25 0.00 0.00 55.06 57.88 3kow s HIS 158 Cb -0.12 0.67 0.00 0.00 -1.18 0.00 0.00 32.58 31.95 3kow s HIS 158 CO 0.22 -0.56 0.00 0.45 -0.65 0.00 0.00 174.74 174.20 3kow n SER 159 N 4.55 0.47 -4.46 9.88 2.88 -0.98 -1.34 113.62 124.61 3kow n SER 159 Ca -0.18 -0.72 -0.35 0.00 -1.33 0.00 0.00 58.87 56.29 3kow n SER 159 Cb 0.57 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.91 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 -1.42 3.05 -2.70 0.66 2.02 -1.26 -1.28 117.35 116.42 3kow s TYR 160 Ca 0.00 -0.41 0.26 0.00 -0.37 0.00 0.00 57.07 56.54 3kow s TYR 160 Cb 0.00 -2.07 0.57 0.00 -0.40 0.00 0.00 41.96 40.06 3kow s TYR 160 CO 0.00 -0.20 1.47 0.28 -1.57 0.00 0.00 175.55 175.53 3kow n VAL 161 N 4.15 0.00 -0.69 0.71 0.31 0.02 -4.90 118.33 117.93 3kow n VAL 161 Ca -0.17 -0.37 -0.31 0.00 -0.01 0.00 0.00 64.34 63.48 3kow n VAL 161 Cb 0.52 1.02 0.16 0.00 -0.91 0.00 0.00 33.84 34.63 3kow n VAL 161 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kow n SER 162 N 0.71 -0.17 0.00 4.52 7.64 -1.21 -4.31 113.62 120.80 3kow n SER 162 Ca 0.16 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.42 3kow n SER 162 Cb 0.48 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 3kow n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kow n GLY 163 N 0.52 0.97 0.23 0.23 0.00 -1.26 -4.60 105.19 101.28 3kow n GLY 163 Ca 0.11 -2.27 0.11 0.00 0.00 0.00 0.00 46.02 43.96 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 0.64 0.49 -1.23 1.61 -1.51 -1.33 -3.16 116.25 111.76 3kow h VAL 164 Ca 0.00 -1.06 -0.65 0.00 -1.23 0.00 0.00 66.70 63.75 3kow h VAL 164 Cb 0.00 1.74 -0.34 0.00 -2.13 0.00 0.00 31.29 30.57 3kow h VAL 164 CO 0.00 0.20 0.27 0.00 -1.23 0.00 0.00 177.57 176.81 3kow n ALA 165 N -2.21 5.88 0.21 5.19 0.00 -1.25 -4.78 120.51 123.54 3kow n ALA 165 Ca 0.00 -3.82 -0.12 0.00 0.00 0.00 0.00 53.44 49.51 3kow n ALA 165 Cb 0.42 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 3kow n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kow h GLY 166 N 2.35 -1.02 2.00 0.00 0.00 -1.74 -2.69 103.07 101.97 3kow h GLY 166 Ca 0.50 0.45 -0.07 0.00 0.00 0.00 0.00 47.33 48.21 3kow h GLY 166 CO 1.25 -0.33 -0.33 -2.55 0.00 0.00 0.00 176.54 174.58 3kow h PRO 167 N -0.67 0.00 -0.54 4.80 0.11 -1.86 -0.65 132.00 133.19 3kow h PRO 167 Ca -0.05 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.09 3kow h PRO 167 Cb 0.56 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.63 3kow h PRO 167 CO -0.01 0.33 0.32 -0.44 -0.21 0.00 0.00 178.00 177.99 3kow h ASP 168 N 0.00 0.50 -0.25 -2.05 3.45 -1.93 -2.67 116.42 113.47 3kow h ASP 168 Ca -0.00 0.01 -0.18 0.00 0.43 0.00 0.00 57.03 57.29 3kow h ASP 168 Cb 0.59 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 3kow h ASP 168 CO 0.04 0.35 -0.53 0.40 -1.57 0.00 0.00 179.24 177.93 3kow h ILE 169 N 0.62 1.29 -0.59 0.35 2.04 -1.07 -2.26 117.51 117.90 3kow h ILE 169 Ca 0.22 -1.72 0.12 0.00 1.00 0.00 0.00 64.86 64.48 3kow h ILE 169 Cb 0.05 1.73 -0.10 0.00 -0.74 0.00 0.00 36.82 37.76 3kow h ILE 169 CO -0.11 0.55 -0.01 0.00 0.00 0.00 0.00 178.15 178.58 3kow h ALA 170 N 0.64 0.56 0.32 1.87 0.00 -1.04 0.58 119.26 122.19 3kow h ALA 170 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kow h ALA 170 Cb 1.14 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3kow h ALA 170 CO 0.12 -0.39 -0.15 0.28 0.00 0.00 0.00 179.25 179.10 3kow h VAL 171 N 0.11 0.70 -0.86 0.00 2.07 -1.30 0.17 116.25 117.14 3kow h VAL 171 Ca 0.30 -0.06 0.20 0.00 0.82 0.00 0.00 66.70 67.97 3kow h VAL 171 Cb 0.48 0.73 -0.12 0.00 -1.52 0.00 0.00 31.29 30.86 3kow h VAL 171 CO -0.51 0.01 0.33 -0.03 0.02 0.00 0.00 177.57 177.39 3kow h MET 172 N -0.45 0.35 -0.13 1.57 -1.53 -0.81 -1.71 114.93 112.21 3kow h MET 172 Ca -0.04 -0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.16 3kow h MET 172 Cb 0.35 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.31 3kow h MET 172 CO 0.07 0.23 -0.07 0.74 0.14 0.00 0.00 176.91 178.03 3kow h PHE 173 N 0.36 0.32 -0.30 1.39 0.04 0.79 -3.06 116.94 116.50 3kow h PHE 173 Ca 0.52 -0.08 0.04 0.00 2.80 0.00 0.00 57.97 61.25 3kow h PHE 173 Cb 0.96 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 39.00 3kow h PHE 173 CO -0.18 0.62 0.07 0.00 -0.60 0.00 0.00 178.31 178.22 3kow h ALA 174 N 0.66 0.32 -0.89 2.45 0.00 -0.35 -2.77 119.26 118.67 3kow h ALA 174 Ca 0.03 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kow h ALA 174 Cb 0.53 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3kow h ALA 174 CO 0.02 -0.34 0.58 0.93 0.00 0.00 0.00 179.25 180.44 3kow h GLU 175 N 0.18 1.13 -0.64 0.00 5.08 -1.36 -3.19 114.58 115.77 3kow h GLU 175 Ca 0.14 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kow h GLU 175 Cb 0.14 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3kow h GLU 175 CO -0.17 0.74 0.00 0.39 -1.00 0.00 0.00 179.01 178.97 3kow n GLU 176 N -4.50 3.12 -1.98 2.33 -0.58 -1.15 -4.78 120.64 113.10 3kow n GLU 176 Ca 0.11 -2.45 -0.12 0.00 -0.42 0.00 0.00 57.16 54.28 3kow n GLU 176 Cb 0.06 -1.72 -0.02 0.00 -0.57 0.00 0.00 31.44 29.19 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 1.20 0.27 3.75 0.62 0.00 -1.20 -4.74 105.19 105.09 3kow n GLY 177 Ca 0.22 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.54 2.63 -0.06 1.61 1.01 -1.06 -4.79 120.40 117.20 3kow s VAL 178 Ca 0.00 0.56 0.21 0.00 0.00 0.00 0.00 61.98 62.75 3kow s VAL 178 Cb 0.00 -3.35 -0.32 0.00 0.00 0.00 0.00 36.38 32.71 3kow s VAL 178 CO 0.00 0.10 0.44 0.59 0.00 0.00 0.00 175.10 176.23 3kow n ASN 179 N 1.82 0.03 -3.51 3.32 4.13 0.09 -4.65 115.26 116.48 3kow n ASN 179 Ca 0.05 0.01 -0.10 0.00 1.68 0.00 0.00 54.58 56.21 3kow n ASN 179 Cb 0.41 1.82 -0.03 0.00 -1.54 0.00 0.00 39.78 40.43 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 -4.65 -0.46 0.14 7.41 0.00 -1.05 -2.21 107.32 106.49 3kow s GLY 180 Ca -0.08 1.19 -0.05 0.00 0.00 0.00 0.00 44.72 45.78 3kow s GLY 180 CO 0.90 0.52 0.16 0.00 0.00 0.00 0.00 173.10 174.68 3kow s ALA 181 N -2.59 0.37 0.08 3.20 0.00 -0.26 -2.33 121.76 120.23 3kow s ALA 181 Ca 0.01 -1.12 -0.28 0.00 0.00 0.00 0.00 51.96 50.57 3kow s ALA 181 Cb -0.01 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 3kow s ALA 181 CO -0.05 -0.55 0.87 -1.01 0.00 0.00 0.00 175.76 175.02 3kow s HIS 182 N -3.99 3.78 -0.20 0.00 3.76 -0.40 -1.42 115.29 116.82 3kow s HIS 182 Ca 0.18 1.66 -0.05 0.00 -0.15 0.00 0.00 55.06 56.70 3kow s HIS 182 Cb 0.05 -2.95 0.10 0.00 1.11 0.00 0.00 32.58 30.90 3kow s HIS 182 CO -0.01 0.24 0.36 -1.14 -0.85 0.00 0.00 174.74 173.34 3kow s GLN 183 N -0.05 0.28 -0.24 1.40 -0.44 -0.59 -0.80 119.66 119.21 3kow s GLN 183 Ca 0.43 0.75 -0.02 0.00 -2.50 0.00 0.00 55.36 54.02 3kow s GLN 183 Cb -0.22 -0.12 0.12 0.00 -1.64 0.00 0.00 33.01 31.14 3kow s GLN 183 CO 0.27 -0.42 0.28 0.34 0.50 0.00 0.00 175.29 176.26 3kow s ASP 184 N 2.53 1.26 0.48 6.67 -1.08 -1.26 -4.42 116.67 120.85 3kow s ASP 184 Ca 0.04 -0.32 0.32 0.00 -0.52 0.00 0.00 52.55 52.07 3kow s ASP 184 Cb -0.13 0.57 1.43 0.00 -1.46 0.00 0.00 42.92 43.33 3kow s ASP 184 CO -0.13 -0.34 1.72 -0.65 0.52 0.00 0.00 175.17 176.28 3kow h PRO 185 N 8.27 0.12 0.00 4.34 0.11 -1.97 0.26 132.00 143.12 3kow h PRO 185 Ca -0.16 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 3kow h PRO 185 Cb 1.13 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3kow h PRO 185 CO 0.30 0.08 -0.40 1.96 -0.21 0.00 0.00 178.00 179.73 3kow h GLN 186 N 0.12 0.00 -0.25 1.05 4.20 -1.96 -2.94 115.11 115.34 3kow h GLN 186 Ca 0.69 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.40 3kow h GLN 186 Cb 2.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.14 3kow h GLN 186 CO -0.19 0.40 0.14 -0.92 -0.67 0.00 0.00 178.83 177.59 3kow h TYR 187 N 0.00 0.33 -0.18 2.96 3.20 -0.80 -1.34 116.97 121.14 3kow h TYR 187 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3kow h TYR 187 Cb 1.12 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3kow h TYR 187 CO 0.00 0.28 0.07 -0.91 -1.64 0.00 0.00 178.16 175.95 3kow h ASN 188 N 0.29 0.25 0.61 -2.11 2.35 -1.50 -1.53 115.58 113.94 3kow h ASN 188 Ca 0.09 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 3kow h ASN 188 Cb 0.05 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.36 3kow h ASN 188 CO -0.01 0.35 -0.30 0.58 -1.65 0.00 0.00 177.43 176.40 3kow h VAL 189 N 0.13 0.26 -0.12 2.81 2.07 -1.51 -1.37 116.25 118.52 3kow h VAL 189 Ca 0.06 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 3kow h VAL 189 Cb 0.18 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3kow h VAL 189 CO -0.00 0.03 -0.45 -0.07 0.02 0.00 0.00 177.57 177.10 3kow h LEU 190 N -1.06 0.61 0.00 2.57 3.38 -1.26 -2.31 115.31 117.24 3kow h LEU 190 Ca -0.08 -0.62 -0.26 0.00 0.09 0.00 0.00 57.88 57.01 3kow h LEU 190 Cb 0.68 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3kow h LEU 190 CO 0.14 1.12 -2.27 -1.22 0.09 0.00 0.00 178.44 176.30 3kow n TYR 191 N -4.26 0.00 0.71 1.13 4.01 -0.58 -4.27 117.16 113.89 3kow n TYR 191 Ca -0.07 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.75 3kow n TYR 191 Cb 0.57 -0.85 0.06 0.00 -0.31 0.00 0.00 39.34 38.81 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 -2.60 1.42 -4.02 -0.72 5.12 -1.07 -5.01 116.66 109.78 3kow n ARG 192 Ca -0.24 -1.40 -0.44 0.00 -1.93 0.00 0.00 57.85 53.84 3kow n ARG 192 Cb 0.98 -1.32 0.02 0.00 -1.16 0.00 0.00 32.46 30.98 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 0.79 -4.14 -4.78 0.55 5.15 -0.87 -4.87 115.26 107.08 3kow n ASN 193 Ca 0.09 -1.25 -0.36 0.00 -0.60 0.00 0.00 54.58 52.46 3kow n ASN 193 Cb 0.41 -1.96 -0.08 0.00 -0.53 0.00 0.00 39.78 37.63 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 -3.55 5.08 -0.03 -1.44 1.01 -0.57 -2.04 121.20 119.66 3kow s ILE 194 Ca 0.47 0.05 -0.39 0.00 0.00 0.00 0.00 60.65 60.79 3kow s ILE 194 Cb -0.25 -3.21 -0.17 0.00 0.01 0.00 0.00 42.46 38.84 3kow s ILE 194 CO 0.96 0.58 1.37 -3.20 0.00 0.00 0.00 174.94 174.64 3kow n ASN 195 N 2.38 1.39 0.22 3.58 2.85 0.46 -4.08 115.26 122.06 3kow n ASN 195 Ca -0.19 1.12 0.07 0.00 -0.11 0.00 0.00 54.58 55.47 3kow n ASN 195 Cb 0.54 -1.10 0.50 0.00 1.24 0.00 0.00 39.78 40.96 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 4.71 0.00 -0.07 1.20 -0.00 -1.80 0.20 114.93 119.17 3kow h MET 196 Ca -0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.10 3kow h MET 196 Cb 1.36 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.96 3kow h MET 196 CO 0.79 0.25 -0.42 0.82 -0.00 0.00 0.00 176.91 178.35 3kow h ILE 197 N 0.00 1.41 -0.54 -0.10 2.04 -1.89 -2.88 117.51 115.55 3kow h ILE 197 Ca -0.00 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.02 3kow h ILE 197 Cb 0.51 2.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 3kow h ILE 197 CO 0.03 0.53 0.25 -0.09 0.00 0.00 0.00 178.15 178.87 3kow h ARG 198 N -0.05 0.78 -0.65 2.37 1.12 -1.82 -2.33 114.38 113.79 3kow h ARG 198 Ca -0.03 -0.12 -0.01 0.00 -1.11 0.00 0.00 59.98 58.70 3kow h ARG 198 Cb 1.08 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 30.87 3kow h ARG 198 CO 0.09 0.66 0.35 1.03 -3.11 0.00 0.00 179.97 178.99 3kow h SER 199 N 0.73 0.82 1.59 -3.80 0.87 -0.99 -1.80 113.55 110.97 3kow h SER 199 Ca 0.18 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3kow h SER 199 Cb 0.14 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3kow h SER 199 CO -0.02 0.69 -0.40 -0.26 -0.53 0.00 0.00 176.83 176.30 3kow h PHE 200 N 0.89 0.00 -0.15 2.24 -1.00 -1.50 -1.55 116.94 115.87 3kow h PHE 200 Ca 0.23 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.91 3kow h PHE 200 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 3kow h PHE 200 CO -0.01 0.40 -0.31 0.82 -1.61 0.00 0.00 178.31 177.61 3kow h ILE 201 N 0.00 1.36 -0.86 -0.55 2.04 -1.10 -3.24 117.51 115.16 3kow h ILE 201 Ca -0.00 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 3kow h ILE 201 Cb 1.31 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 39.35 3kow h ILE 201 CO 0.05 0.47 0.50 0.44 0.00 0.00 0.00 178.15 179.61 3kow h ASP 202 N 0.08 1.04 -0.67 1.72 3.32 -1.31 -2.94 116.42 117.67 3kow h ASP 202 Ca 0.00 -0.08 0.14 0.00 0.02 0.00 0.00 57.03 57.12 3kow h ASP 202 Cb 0.90 -0.26 -0.12 0.00 0.22 0.00 0.00 39.33 40.07 3kow h ASP 202 CO 0.07 0.82 -0.02 0.00 -1.72 0.00 0.00 179.24 178.38 3kow h ALA 203 N 1.27 0.64 -0.63 3.45 0.00 -1.31 0.23 119.26 122.91 3kow h ALA 203 Ca 0.30 0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.56 3kow h ALA 203 Cb -0.02 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 3kow h ALA 203 CO -0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 179.25 178.78 3kow h GLU 205 N 0.11 0.37 -0.47 0.00 4.57 -1.31 -2.03 114.58 115.82 3kow h GLU 205 Ca 0.33 -0.35 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 3kow h GLU 205 Cb 0.53 0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 29.11 3kow h GLU 205 CO -0.55 1.01 -0.41 0.77 -1.18 0.00 0.00 179.01 178.65 3kow h SER 206 N -0.13 -1.37 -0.39 1.04 0.02 -0.69 -1.13 113.55 110.90 3kow h SER 206 Ca -0.04 0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 3kow h SER 206 Cb 1.13 0.62 -0.02 0.00 0.14 0.00 0.00 62.40 64.27 3kow h SER 206 CO 0.09 -0.35 -0.15 0.11 -1.14 0.00 0.00 176.83 175.39 3kow h LYS 207 N -0.28 0.86 -0.21 3.45 1.57 -1.07 -0.72 116.57 120.17 3kow h LYS 207 Ca 0.16 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 3kow h LYS 207 Cb 0.57 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3kow h LYS 207 CO -0.61 0.95 -0.13 1.15 -0.57 0.00 0.00 179.45 180.25 3kow h THR 208 N 0.76 1.20 -0.15 -0.16 2.02 -0.85 0.50 112.91 116.24 3kow h THR 208 Ca 0.12 -0.90 -0.22 0.00 0.77 0.00 0.00 66.41 66.18 3kow h THR 208 Cb 0.67 1.19 0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3kow h THR 208 CO 0.05 0.29 -0.78 0.40 0.37 0.00 0.00 175.52 175.84 3kow h ILE 209 N 0.33 1.28 -0.30 3.11 2.04 -0.44 -1.98 117.51 121.54 3kow h ILE 209 Ca 0.06 -1.97 -0.12 0.00 1.00 0.00 0.00 64.86 63.83 3kow h ILE 209 Cb 0.43 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 3kow h ILE 209 CO 0.02 0.63 -0.30 0.24 0.00 0.00 0.00 178.15 178.74 3kow h MET 210 N 0.53 0.63 -0.43 2.37 2.86 -0.80 -2.29 114.93 117.80 3kow h MET 210 Ca -0.06 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.32 3kow h MET 210 Cb 1.41 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.03 3kow h MET 210 CO 0.16 0.86 0.29 0.00 1.06 0.00 0.00 176.91 179.28 3kow h ALA 211 N 1.13 1.73 0.55 6.32 0.00 0.06 -2.50 119.26 126.55 3kow h ALA 211 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kow h ALA 211 Cb 0.79 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kow h ALA 211 CO 0.06 0.23 -0.27 2.35 0.00 0.00 0.00 179.25 181.63 3kow h TRP 212 N 0.55 -0.69 0.00 0.00 7.01 -0.81 -3.20 115.95 118.82 3kow h TRP 212 Ca 0.17 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.15 3kow h TRP 212 Cb -0.01 0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 3kow h TRP 212 CO -0.00 -0.37 0.00 0.00 -2.79 0.00 0.00 178.44 175.28 3kow n ALA 213 N -2.52 2.34 -4.01 2.65 0.00 -0.97 -4.88 120.51 113.11 3kow n ALA 213 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 3kow n ALA 213 Cb 0.33 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.35 -2.84 -4.87 0.00 2.03 -1.06 -3.39 116.55 106.07 3kow n ASP 214 Ca 0.00 -0.92 -0.31 0.00 0.52 0.00 0.00 54.79 54.08 3kow n ASP 214 Cb 0.05 -3.30 -0.05 0.00 -0.72 0.00 0.00 41.12 37.11 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 -6.66 3.82 0.13 -0.67 -1.94 -1.02 -2.79 119.30 110.17 3kow s MET 215 Ca 0.47 0.38 -0.30 0.00 -1.71 0.00 0.00 55.69 54.52 3kow s MET 215 Cb -0.25 -2.54 -0.07 0.00 2.01 0.00 0.00 34.83 33.99 3kow s MET 215 CO 0.88 0.19 1.22 0.00 -0.01 0.00 0.00 175.02 177.30 3kow s ALA 216 N -2.01 3.44 -0.07 3.03 0.00 -0.94 -4.85 121.76 120.35 3kow s ALA 216 Ca 0.49 0.93 -0.05 0.00 0.00 0.00 0.00 51.96 53.33 3kow s ALA 216 Cb -0.11 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3kow s ALA 216 CO 0.24 -0.43 0.16 -1.14 0.00 0.00 0.00 175.76 174.59 3kow s GLN 217 N 0.47 3.44 -0.08 0.00 0.74 0.22 -1.11 119.66 123.34 3kow s GLN 217 Ca 0.57 -0.22 0.03 0.00 0.05 0.00 0.00 55.36 55.79 3kow s GLN 217 Cb -0.32 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.65 3kow s GLN 217 CO 0.33 0.73 -0.18 0.42 -0.55 0.00 0.00 175.29 176.03 3kow s ILE 218 N -1.17 1.60 0.83 -2.34 1.01 -0.51 -1.43 121.20 119.20 3kow s ILE 218 Ca 0.21 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 3kow s ILE 218 Cb -0.12 -1.41 0.19 0.00 0.01 0.00 0.00 42.46 41.13 3kow s ILE 218 CO 0.11 0.46 1.11 -0.90 0.00 0.00 0.00 174.94 175.72 3kow n ASP 219 N 3.58 0.03 -2.50 3.58 3.85 -1.16 -1.55 116.55 122.37 3kow n ASP 219 Ca -0.20 -1.39 -0.16 0.00 -0.71 0.00 0.00 54.79 52.32 3kow n ASP 219 Cb 0.52 -0.86 0.02 0.00 -1.35 0.00 0.00 41.12 39.46 3kow n ASP 219 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kow n GLY 223 N -2.34 4.00 0.13 6.12 0.00 -1.26 -4.55 105.19 107.29 3kow n GLY 223 Ca 0.14 -2.00 0.01 0.00 0.00 0.00 0.00 46.02 44.17 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 2.62 0.72 0.00 4.61 0.00 -1.91 -3.19 119.26 122.12 3kow h ALA 224 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kow h ALA 224 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kow h ALA 224 CO 0.60 0.75 0.00 -2.39 0.00 0.00 0.00 179.25 178.22 3kow n HIS 225 N -3.41 0.00 0.62 0.00 1.44 -1.24 0.11 115.22 112.74 3kow n HIS 225 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 3kow n HIS 225 Cb 0.71 -0.29 0.32 0.00 0.12 0.00 0.00 29.99 30.85 3kow n HIS 225 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3kow n ASN 226 N -1.29 0.76 0.15 4.39 3.02 -1.20 -3.18 115.26 117.91 3kow n ASN 226 Ca 0.00 0.40 0.02 0.00 -0.03 0.00 0.00 54.58 54.97 3kow n ASN 226 Cb 0.00 -0.44 0.19 0.00 -0.61 0.00 0.00 39.78 38.92 3kow n ASN 226 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kow h ALA 227 N 2.53 0.86 -0.22 5.41 0.00 -0.57 -2.68 119.26 124.60 3kow h ALA 227 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kow h ALA 227 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kow h ALA 227 CO 0.00 0.68 0.13 -0.91 0.00 0.00 0.00 179.25 179.15 3kow h ASN 228 N 0.00 0.26 -0.13 0.00 4.21 -1.66 -2.35 115.58 115.92 3kow h ASN 228 Ca -0.01 -0.05 -0.06 0.00 1.21 0.00 0.00 56.30 57.39 3kow h ASN 228 Cb 1.13 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 38.26 3kow h ASN 228 CO 0.07 0.24 -0.14 0.00 -1.29 0.00 0.00 177.43 176.32 3kow h ALA 229 N 1.03 0.19 0.00 -0.83 0.00 -1.62 -3.10 119.26 114.93 3kow h ALA 229 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kow h ALA 229 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kow h ALA 229 CO -0.01 0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.55 3kow n THR 230 N -4.58 0.17 -2.71 0.00 -2.24 -1.02 -4.82 114.28 99.08 3kow n THR 230 Ca -0.06 0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 3kow n THR 230 Cb 0.36 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.41 2.99 0.10 6.98 0.00 -0.89 -4.97 121.76 123.57 3kow s ALA 231 Ca 0.27 0.44 -0.10 0.00 0.00 0.00 0.00 51.96 52.57 3kow s ALA 231 Cb 0.17 -3.18 -0.16 0.00 0.00 0.00 0.00 23.12 19.95 3kow s ALA 231 CO 0.35 -0.02 1.26 0.00 0.00 0.00 0.00 175.76 177.35 3kow h ARG 232 N 1.74 0.63 -2.82 0.00 2.47 -1.87 -3.42 114.38 111.11 3kow h ARG 232 Ca -0.49 -0.63 -0.37 0.00 -1.26 0.00 0.00 59.98 57.24 3kow h ARG 232 Cb 1.19 0.16 -0.38 0.00 -1.65 0.00 0.00 29.97 29.30 3kow h ARG 232 CO 0.60 1.23 -0.67 -1.21 0.56 0.00 0.00 179.97 180.48 3kow s GLU 233 N -3.43 0.11 0.61 0.04 8.01 -1.26 -5.04 118.70 117.75 3kow s GLU 233 Ca -0.09 0.16 0.37 0.00 0.01 0.00 0.00 54.97 55.42 3kow s GLU 233 Cb 0.08 -1.27 2.02 0.00 -4.31 0.00 0.00 34.13 30.65 3kow s GLU 233 CO 0.90 -0.60 2.26 0.00 0.01 0.00 0.00 175.26 177.83 3kow h ALA 234 N 8.36 1.19 0.00 5.21 0.00 -1.83 -1.72 119.26 130.47 3kow h ALA 234 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kow h ALA 234 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kow h ALA 234 CO 0.26 0.02 0.00 -2.67 0.00 0.00 0.00 179.25 176.86 3kow n TRP 235 N -3.39 0.00 0.39 0.00 2.14 -1.26 -2.15 117.44 113.17 3kow n TRP 235 Ca -0.02 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.59 3kow n TRP 235 Cb 0.12 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.62 3kow n TRP 235 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 3kow n LYS 236 N -0.99 2.33 -0.01 -2.67 5.02 -0.65 -4.62 118.16 116.57 3kow n LYS 236 Ca 0.15 -0.52 0.14 0.00 -2.02 0.00 0.00 58.31 56.06 3kow n LYS 236 Cb 0.07 -1.03 0.50 0.00 -0.02 0.00 0.00 35.03 34.55 3kow n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3kow n VAL 237 N -0.35 0.02 -0.06 -0.18 3.14 -0.91 -4.20 118.33 115.80 3kow n VAL 237 Ca 0.03 -0.27 -0.06 0.00 -2.96 0.00 0.00 64.34 61.08 3kow n VAL 237 Cb 0.18 0.51 0.12 0.00 -1.06 0.00 0.00 33.84 33.59 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 2.41 0.69 -0.82 1.45 2.86 -1.82 -0.29 114.93 119.40 3kow h MET 238 Ca 0.00 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 3kow h MET 238 Cb 0.51 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 3kow h MET 238 CO 0.00 0.86 0.36 -1.35 1.06 0.00 0.00 176.91 177.84 3kow h PRO 239 N 0.60 1.21 -0.02 -0.22 0.11 -1.88 -2.51 132.00 129.29 3kow h PRO 239 Ca 0.09 -0.20 0.02 0.00 0.11 0.00 0.00 66.00 66.01 3kow h PRO 239 Cb 0.71 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3kow h PRO 239 CO 0.05 0.95 -0.09 1.49 -0.21 0.00 0.00 178.00 180.20 3kow h GLU 240 N 1.19 -0.14 -0.50 1.05 4.81 -1.67 -2.96 114.58 116.35 3kow h GLU 240 Ca 0.28 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.61 3kow h GLU 240 Cb 0.17 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 3kow h GLU 240 CO -0.03 -0.10 -0.36 -0.07 -0.73 0.00 0.00 179.01 177.72 3kow h LEU 241 N -0.15 -1.23 -1.06 1.64 3.38 -0.91 -1.83 115.31 115.15 3kow h LEU 241 Ca 0.04 0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.24 3kow h LEU 241 Cb 0.20 0.58 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 3kow h LEU 241 CO -0.11 -0.32 0.63 0.24 0.09 0.00 0.00 178.44 178.97 3kow h MET 242 N -0.23 1.25 0.27 1.13 2.86 -1.41 -0.09 114.93 118.72 3kow h MET 242 Ca 0.19 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3kow h MET 242 Cb 0.55 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3kow h MET 242 CO -0.62 0.83 -0.13 0.28 1.06 0.00 0.00 176.91 178.33 3kow h VAL 243 N 1.29 0.74 -0.14 -2.22 2.07 -1.28 0.23 116.25 116.94 3kow h VAL 243 Ca 0.35 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.82 3kow h VAL 243 Cb -0.14 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3kow h VAL 243 CO -0.08 0.01 0.10 1.56 0.02 0.00 0.00 177.57 179.18 3kow h GLN 244 N -0.40 0.16 -0.26 1.57 4.20 -0.62 0.21 115.11 119.98 3kow h GLN 244 Ca -0.04 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 3kow h GLN 244 Cb 0.30 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3kow h GLN 244 CO 0.06 0.11 -0.45 0.45 -0.67 0.00 0.00 178.83 178.33 3kow h HIS 245 N 0.17 0.95 0.79 2.96 3.86 -0.76 -3.08 115.15 120.03 3kow h HIS 245 Ca 0.05 -0.33 -0.04 0.00 -1.16 0.00 0.00 60.37 58.90 3kow h HIS 245 Cb 0.01 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 28.31 3kow h HIS 245 CO -0.00 1.12 -0.38 0.00 0.86 0.00 0.00 177.93 179.54 3kow h ALA 246 N 0.66 -1.06 0.04 2.45 0.00 0.19 -1.24 119.26 120.30 3kow h ALA 246 Ca 0.02 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3kow h ALA 246 Cb 1.05 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3kow h ALA 246 CO 0.10 -1.03 -0.18 -0.07 0.00 0.00 0.00 179.25 178.07 3kow h LEU 247 N -1.18 -0.52 -1.72 0.00 3.38 -0.84 0.32 115.31 114.75 3kow h LEU 247 Ca -0.11 0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3kow h LEU 247 Cb 0.82 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3kow h LEU 247 CO 0.18 -0.25 0.27 -1.13 0.09 0.00 0.00 178.44 177.59 3kow h ASN 248 N -0.32 0.31 0.19 -0.43 -1.24 -1.60 -0.01 115.58 112.49 3kow h ASN 248 Ca 0.04 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 3kow h ASN 248 Cb 0.37 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.35 3kow h ASN 248 CO -0.14 0.21 -0.09 0.28 -1.29 0.00 0.00 177.43 176.39 3kow h SER 249 N 0.36 -0.22 -0.19 1.15 0.02 0.30 -2.30 113.55 112.67 3kow h SER 249 Ca 0.17 -0.30 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3kow h SER 249 Cb 0.21 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3kow h SER 249 CO -0.04 0.31 0.13 -0.29 -1.14 0.00 0.00 176.83 175.80 3kow h ILE 250 N -0.89 1.00 0.03 3.27 6.09 -0.35 -2.21 117.51 124.46 3kow h ILE 250 Ca -0.03 -0.06 -0.00 0.00 -1.37 0.00 0.00 64.86 63.40 3kow h ILE 250 Cb 0.51 0.82 0.00 0.00 0.47 0.00 0.00 36.82 38.61 3kow h ILE 250 CO 0.04 0.03 -0.02 0.15 -3.07 0.00 0.00 178.15 175.29 3kow h PHE 251 N 0.17 -0.04 0.00 2.19 3.57 -1.00 -2.79 116.94 119.04 3kow h PHE 251 Ca 0.08 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3kow h PHE 251 Cb 0.10 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3kow h PHE 251 CO -0.00 0.30 -0.25 0.77 -2.23 0.00 0.00 178.31 176.90 3kow h SER 252 N -0.39 0.00 -0.28 0.41 0.02 -1.17 -2.78 113.55 109.37 3kow h SER 252 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3kow h SER 252 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3kow h SER 252 CO 0.01 0.25 -0.16 0.25 -1.14 0.00 0.00 176.83 176.03 3kow h LEU 253 N 0.00 0.62 0.49 5.07 5.85 -1.41 -1.84 115.31 124.10 3kow h LEU 253 Ca -0.00 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 3kow h LEU 253 Cb 0.75 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3kow h LEU 253 CO 0.03 0.91 -0.24 0.11 -0.34 0.00 0.00 178.44 178.92 3kow h LYS 254 N 0.34 -0.64 -0.87 1.25 1.79 -1.24 -1.99 116.57 115.21 3kow h LYS 254 Ca 0.06 0.04 0.25 0.00 -2.18 0.00 0.00 60.65 58.82 3kow h LYS 254 Cb 0.69 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.45 3kow h LYS 254 CO 0.05 -0.42 0.96 0.28 -1.08 0.00 0.00 179.45 179.23 3kow n VAL 255 N -4.06 0.00 0.00 0.50 0.31 -1.07 -4.70 118.33 109.30 3kow n VAL 255 Ca -0.08 0.98 0.00 0.00 -0.01 0.00 0.00 64.34 65.23 3kow n VAL 255 Cb 0.26 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 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 -1.52 0.70 3.45 2.92 0.00 -0.75 -4.75 105.19 105.24 3kow n GLY 256 Ca 0.20 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3kow n GLY 256 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kow s MET 257 N 0.36 2.18 0.05 1.61 0.00 -0.71 -4.88 119.30 117.91 3kow s MET 257 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 55.69 54.48 3kow s MET 257 Cb 0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 34.83 32.55 3kow s MET 257 CO 0.00 0.56 1.19 0.15 0.00 0.00 0.00 175.02 176.93 3kow s LYS 258 N -1.20 4.43 0.61 4.11 1.02 -1.26 -4.50 119.74 122.95 3kow s LYS 258 Ca 0.13 1.75 0.26 0.00 0.02 0.00 0.00 55.97 58.14 3kow s LYS 258 Cb -0.10 -3.37 1.17 0.00 -0.52 0.00 0.00 37.83 35.00 3kow s LYS 258 CO 0.04 -0.27 1.59 -0.22 -0.92 0.00 0.00 175.35 175.57 3kow h LYS 259 N 6.87 0.00 -0.37 1.68 3.64 -1.95 1.41 116.57 127.84 3kow h LYS 259 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3kow h LYS 259 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3kow h LYS 259 CO 0.82 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.87 3kow n SER 260 N -3.35 2.61 -0.57 4.20 3.41 -1.26 -3.58 113.62 115.07 3kow n SER 260 Ca 0.13 -1.91 0.06 0.00 -0.26 0.00 0.00 58.87 56.89 3kow n SER 260 Cb 1.02 -0.24 0.11 0.00 -0.26 0.00 0.00 64.21 64.84 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 0.93 2.52 -4.29 4.04 3.02 0.48 -4.85 115.26 117.11 3kow n ASN 261 Ca 0.17 -1.77 -0.36 0.00 -0.03 0.00 0.00 54.58 52.59 3kow n ASN 261 Cb 0.45 -0.13 -0.13 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.98 3.51 0.12 2.41 1.01 -1.22 0.70 121.20 126.74 3kow s ILE 262 Ca 0.19 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 60.16 3kow s ILE 262 Cb 0.11 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 3kow s ILE 262 CO 0.15 0.18 -0.16 0.00 0.00 0.00 0.00 174.94 175.11 3kow s LEU 264 N -2.20 3.25 -0.92 0.00 1.02 -0.55 -3.00 118.68 116.29 3kow s LEU 264 Ca 0.19 -0.20 -0.24 0.00 0.02 0.00 0.00 54.13 53.90 3kow s LEU 264 Cb -0.11 -1.82 0.01 0.00 0.02 0.00 0.00 46.19 44.30 3kow s LEU 264 CO 0.11 0.07 1.60 -0.44 0.02 0.00 0.00 176.35 177.71 3kow s SER 265 N 0.97 5.97 -0.30 2.29 0.01 -1.26 -1.24 113.70 120.13 3kow s SER 265 Ca 0.01 -0.95 -0.11 0.00 1.31 0.00 0.00 55.95 56.21 3kow s SER 265 Cb -0.14 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 3kow s SER 265 CO 0.02 -1.98 0.19 0.28 0.41 0.00 0.00 173.24 172.16 3kow s THR 266 N 6.87 5.08 -0.29 1.44 -1.32 0.41 -3.70 115.64 124.14 3kow s THR 266 Ca 0.53 -0.09 -0.05 0.00 -1.21 0.00 0.00 61.69 60.87 3kow s THR 266 Cb -0.04 -3.50 0.02 0.00 -1.51 0.00 0.00 72.50 67.46 3kow s THR 266 CO -0.02 0.14 0.04 -0.69 -2.21 0.00 0.00 174.62 171.88 3kow s VAL 267 N 1.71 3.58 -0.37 5.08 1.01 -1.26 -2.53 120.40 127.61 3kow s VAL 267 Ca 0.06 -0.87 -0.38 0.00 0.00 0.00 0.00 61.98 60.80 3kow s VAL 267 Cb -0.17 -2.86 -0.14 0.00 0.00 0.00 0.00 36.38 33.21 3kow s VAL 267 CO 0.09 0.08 2.12 -2.65 0.00 0.00 0.00 175.10 174.74 3kow n PRO 268 N 4.79 0.83 -0.19 2.72 -0.02 -1.26 -4.88 135.00 136.99 3kow n PRO 268 Ca -0.15 0.24 -0.08 0.00 -2.02 0.00 0.00 63.50 61.49 3kow n PRO 268 Cb 0.47 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.78 3kow n PRO 268 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kow h PRO 269 N 10.91 0.82 -6.26 0.52 0.11 -1.94 -3.41 132.00 132.75 3kow h PRO 269 Ca -0.26 -0.16 -0.49 0.00 0.11 0.00 0.00 66.00 65.21 3kow h PRO 269 Cb 1.34 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3kow h PRO 269 CO 1.03 0.73 -0.31 0.95 -0.21 0.00 0.00 178.00 180.19 3kow s THR 270 N -5.51 2.56 0.01 -1.15 -4.23 -1.26 -4.71 115.64 101.35 3kow s THR 270 Ca -0.13 -1.24 -0.07 0.00 -1.18 0.00 0.00 61.69 59.07 3kow s THR 270 Cb 0.12 -2.80 -0.00 0.00 1.34 0.00 0.00 72.50 71.16 3kow s THR 270 CO 0.79 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.99 3kow s ALA 271 N -2.50 -0.25 0.63 3.99 0.00 -1.26 -4.89 121.76 117.47 3kow s ALA 271 Ca 0.50 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 3kow s ALA 271 Cb -0.05 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 3kow s ALA 271 CO 0.30 -0.24 0.83 -2.30 0.00 0.00 0.00 175.76 174.35 3kow n PRO 272 N 1.26 0.69 0.00 0.00 -0.02 -1.26 -1.46 135.00 134.22 3kow n PRO 272 Ca -0.22 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3kow n PRO 272 Cb 0.56 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3kow n PRO 272 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kow n PRO 273 N -0.94 0.92 -2.05 0.52 -0.04 -1.26 -5.07 135.00 127.08 3kow n PRO 273 Ca 0.13 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.21 3kow n PRO 273 Cb 0.48 -1.07 0.01 0.00 -0.04 0.00 0.00 33.50 32.88 3kow n PRO 273 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kow s ALA 274 N -1.85 2.96 -0.38 0.55 0.00 -0.53 -4.83 121.76 117.67 3kow s ALA 274 Ca 0.00 1.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 3kow s ALA 274 Cb 0.00 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 19.49 3kow s ALA 274 CO 0.00 -0.95 1.64 -2.30 0.00 0.00 0.00 175.76 174.15 3kow n PRO 275 N -0.60 0.80 -0.10 0.00 -0.02 -1.26 -4.73 135.00 129.09 3kow n PRO 275 Ca 0.08 -1.19 -0.06 0.00 -2.02 0.00 0.00 63.50 60.31 3kow n PRO 275 Cb 0.46 -2.48 0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3kow n PRO 275 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kow h SER 276 N 8.24 -0.10 0.60 2.55 0.87 -1.88 -0.15 113.55 123.69 3kow h SER 276 Ca 0.29 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 3kow h SER 276 Cb 0.42 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3kow h SER 276 CO 1.66 -0.01 -0.48 0.24 -0.53 0.00 0.00 176.83 177.70 3kow h MET 277 N 0.12 -1.01 -0.93 2.24 2.86 -1.93 0.59 114.93 116.87 3kow h MET 277 Ca 0.17 0.07 0.21 0.00 -2.06 0.00 0.00 59.70 58.08 3kow h MET 277 Cb 0.22 0.23 -0.07 0.00 0.06 0.00 0.00 31.60 32.04 3kow h MET 277 CO -0.26 -0.68 0.61 -0.92 1.06 0.00 0.00 176.91 176.72 3kow h TYR 278 N -1.05 0.63 0.09 -0.22 3.20 -1.48 0.13 116.97 118.26 3kow h TYR 278 Ca -0.08 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.57 3kow h TYR 278 Cb 0.88 -0.19 0.02 0.00 1.54 0.00 0.00 36.73 38.98 3kow h TYR 278 CO -0.19 0.16 -1.01 -0.07 -1.64 0.00 0.00 178.16 175.41 3kow h LEU 279 N 0.46 0.74 0.00 2.82 3.38 -1.06 -3.39 115.31 118.26 3kow h LEU 279 Ca 0.50 -0.82 -0.12 0.00 0.09 0.00 0.00 57.88 57.52 3kow h LEU 279 Cb 1.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3kow h LEU 279 CO -0.21 1.48 -0.72 0.44 0.09 0.00 0.00 178.44 179.52 3kow h ASP 280 N 0.09 0.00 -0.27 -0.43 3.32 0.92 -3.37 116.42 116.67 3kow h ASP 280 Ca -0.15 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 3kow h ASP 280 Cb 1.72 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.26 3kow h ASP 280 CO 0.19 0.54 -0.26 0.25 -1.72 0.00 0.00 179.24 178.25 3kow h LEU 281 N 0.00 0.70 -0.84 1.55 5.85 -1.03 -2.03 115.31 119.51 3kow h LEU 281 Ca -0.04 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.28 3kow h LEU 281 Cb 1.45 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 3kow h LEU 281 CO 0.06 1.02 0.51 -0.65 -0.34 0.00 0.00 178.44 179.05 3kow h PRO 282 N 0.39 0.90 -0.71 5.25 0.11 -1.78 -1.50 132.00 134.65 3kow h PRO 282 Ca 0.04 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 3kow h PRO 282 Cb 0.82 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.70 3kow h PRO 282 CO 0.07 0.59 0.32 -0.92 -0.21 0.00 0.00 178.00 177.85 3kow h TYR 283 N 0.92 1.05 -0.72 0.65 3.20 -1.69 0.60 116.97 120.98 3kow h TYR 283 Ca 0.37 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 3kow h TYR 283 Cb 0.20 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3kow h TYR 283 CO -0.04 0.79 0.45 0.00 -1.64 0.00 0.00 178.16 177.72 3kow h ALA 284 N 1.15 1.43 -0.06 1.82 0.00 -0.88 -0.22 119.26 122.50 3kow h ALA 284 Ca 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kow h ALA 284 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kow h ALA 284 CO -0.03 0.50 -0.23 0.28 0.00 0.00 0.00 179.25 179.78 3kow h VAL 285 N 0.99 1.44 -0.25 0.00 2.07 -0.82 -2.49 116.25 117.19 3kow h VAL 285 Ca 0.26 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 66.18 3kow h VAL 285 Cb -0.06 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3kow h VAL 285 CO -0.05 0.46 -0.02 0.00 0.02 0.00 0.00 177.57 177.98 3kow h ALA 286 N 0.43 0.20 -0.45 1.67 0.00 -0.77 -2.42 119.26 117.92 3kow h ALA 286 Ca -0.01 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kow h ALA 286 Cb 0.87 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3kow h ALA 286 CO 0.05 -0.44 0.06 1.25 0.00 0.00 0.00 179.25 180.16 3kow h LEU 287 N 0.05 0.66 0.00 0.00 5.85 -1.06 -2.60 115.31 118.20 3kow h LEU 287 Ca 0.12 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kow h LEU 287 Cb 0.17 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3kow h LEU 287 CO -0.22 0.69 -0.01 0.03 -0.34 0.00 0.00 178.44 178.59 3kow h ARG 288 N 0.67 0.00 0.00 1.25 3.08 -1.23 -2.98 114.38 115.17 3kow h ARG 288 Ca 0.14 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3kow h ARG 288 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3kow h ARG 288 CO 0.01 0.00 -0.72 0.93 -1.07 0.00 0.00 179.97 179.12 3kow h GLU 289 N 0.00 0.00 0.00 0.04 5.08 -1.06 -3.09 114.58 115.55 3kow h GLU 289 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kow h GLU 289 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3kow h GLU 289 CO 0.00 0.58 -1.50 -0.12 -1.00 0.00 0.00 179.01 176.97 3kow n MET 290 N -3.21 0.53 -1.17 2.33 1.56 -1.09 -4.16 117.12 111.91 3kow n MET 290 Ca 0.00 -0.07 -0.06 0.00 -0.27 0.00 0.00 57.70 57.31 3kow n MET 290 Cb 0.79 -1.61 0.13 0.00 2.15 0.00 0.00 33.22 34.69 3kow n MET 290 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 3kow n PHE 291 N -2.25 1.06 -1.77 1.12 3.72 -1.13 -5.04 117.46 113.17 3kow n PHE 291 Ca -0.01 -1.77 -0.42 0.00 -0.05 0.00 0.00 57.45 55.20 3kow n PHE 291 Cb 0.52 -0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 3kow n PHE 291 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kow s GLU 292 N -3.35 4.13 0.00 -1.08 2.02 -1.17 -1.30 118.70 117.95 3kow s GLU 292 Ca 0.43 2.57 0.00 0.00 0.02 0.00 0.00 54.97 57.99 3kow s GLU 292 Cb 0.39 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.56 3kow s GLU 292 CO -0.03 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 174.99 3kow n GLY 293 N 2.90 1.12 3.94 -1.39 0.00 -1.26 -5.07 105.19 105.43 3kow n GLY 293 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.32 3.48 0.25 1.61 2.02 -0.42 -4.39 117.35 117.58 3kow s TYR 294 Ca 0.00 0.14 -0.30 0.00 -0.37 0.00 0.00 57.07 56.54 3kow s TYR 294 Cb 0.00 -1.68 -0.09 0.00 -0.40 0.00 0.00 41.96 39.79 3kow s TYR 294 CO 0.00 0.53 0.95 1.03 -1.57 0.00 0.00 175.55 176.49 3kow s ARG 295 N -3.10 4.82 -0.24 -0.62 1.81 -0.88 -4.99 118.95 115.75 3kow s ARG 295 Ca 0.34 1.50 -0.11 0.00 -1.72 0.00 0.00 55.73 55.75 3kow s ARG 295 Cb -0.11 -3.23 -0.05 0.00 -0.45 0.00 0.00 34.95 31.10 3kow s ARG 295 CO 0.28 0.48 0.16 -1.64 -0.68 0.00 0.00 175.30 173.90 3kow s MET 296 N -1.27 4.06 -0.32 3.54 -1.94 -1.26 -1.48 119.30 120.62 3kow s MET 296 Ca 0.42 -0.28 -0.09 0.00 -1.71 0.00 0.00 55.69 54.04 3kow s MET 296 Cb -0.26 -3.55 0.01 0.00 2.01 0.00 0.00 34.83 33.05 3kow s MET 296 CO 0.32 0.04 0.13 0.50 -0.01 0.00 0.00 175.02 176.00 3kow s ARG 297 N 1.12 3.03 -0.21 2.03 3.52 -0.37 -1.53 118.95 126.55 3kow s ARG 297 Ca 0.07 -0.91 -0.17 0.00 -0.13 0.00 0.00 55.73 54.59 3kow s ARG 297 Cb -0.14 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 3kow s ARG 297 CO 0.05 -0.53 0.45 0.00 -0.81 0.00 0.00 175.30 174.46 3kow s ALA 298 N 1.53 3.56 0.12 6.12 0.00 -0.92 -0.44 121.76 131.73 3kow s ALA 298 Ca 0.02 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.51 3kow s ALA 298 Cb -0.18 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3kow s ALA 298 CO 0.05 -0.42 0.08 -1.14 0.00 0.00 0.00 175.76 174.33 3kow s GLN 299 N 1.58 2.79 0.54 0.00 2.00 -1.05 0.65 119.66 126.17 3kow s GLN 299 Ca 0.21 -0.82 -0.09 0.00 -2.00 0.00 0.00 55.36 52.65 3kow s GLN 299 Cb -0.15 -2.63 -0.04 0.00 0.80 0.00 0.00 33.01 30.99 3kow s GLN 299 CO 0.09 0.52 0.91 -1.64 -0.50 0.00 0.00 175.29 174.67 3kow s MET 300 N -2.70 3.60 0.21 1.67 -1.94 -1.23 -4.30 119.30 114.61 3kow s MET 300 Ca 0.29 0.51 -0.30 0.00 -1.71 0.00 0.00 55.69 54.49 3kow s MET 300 Cb -0.11 -2.22 -0.08 0.00 2.01 0.00 0.00 34.83 34.42 3kow s MET 300 CO 0.22 -0.37 1.19 1.21 -0.01 0.00 0.00 175.02 177.25 3kow s ASN 301 N -4.03 7.10 -0.03 3.03 2.47 -1.26 -4.89 114.94 117.33 3kow s ASN 301 Ca 0.52 2.27 0.02 0.00 0.42 0.00 0.00 52.86 56.09 3kow s ASN 301 Cb -0.11 -2.61 -0.03 0.00 -1.45 0.00 0.00 41.25 37.05 3kow s ASN 301 CO 0.48 -0.34 0.00 0.35 -3.72 0.00 0.00 177.10 173.87 3kow n THR 302 N 2.16 0.20 -0.25 -5.21 -2.24 -1.26 -4.79 114.28 102.89 3kow n THR 302 Ca 0.03 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.63 3kow n THR 302 Cb 0.44 -0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 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 -0.15 -2.45 -0.78 3.64 -1.94 -2.21 116.57 112.68 3kow h LYS 303 Ca -0.08 0.01 -0.80 0.00 -1.27 0.00 0.00 60.65 58.52 3kow h LYS 303 Cb 1.17 0.03 -0.24 0.00 -0.41 0.00 0.00 32.23 32.78 3kow h LYS 303 CO 0.00 -0.10 1.26 0.66 -2.27 0.00 0.00 179.45 179.00 3kow n TYR 304 N -5.42 2.66 -4.55 1.91 4.01 -1.26 -4.94 117.16 109.58 3kow n TYR 304 Ca 0.04 -2.61 -0.23 0.00 -0.16 0.00 0.00 57.90 54.94 3kow n TYR 304 Cb 0.35 -1.34 -0.16 0.00 -0.31 0.00 0.00 39.34 37.89 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 -3.43 1.31 0.00 -0.72 1.75 -0.83 -4.89 119.30 112.48 3kow s MET 305 Ca 0.40 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.43 3kow s MET 305 Cb 0.17 -1.17 0.00 0.00 2.84 0.00 0.00 34.83 36.67 3kow s MET 305 CO -0.08 0.14 0.00 -1.91 -0.65 0.00 0.00 175.02 172.52 3kow n GLU 306 N 3.32 3.94 -0.17 4.11 0.00 -1.26 -4.84 120.64 125.74 3kow n GLU 306 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.09 3kow n GLU 306 Cb 0.53 0.00 0.24 0.00 0.00 0.00 0.00 31.44 32.22 3kow n GLU 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kow n ALA 307 N -3.00 2.44 -2.55 4.31 0.00 -1.26 -4.20 120.51 116.25 3kow n ALA 307 Ca 0.00 -0.90 -0.43 0.00 0.00 0.00 0.00 53.44 52.11 3kow n ALA 307 Cb 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.50 6.44 0.36 0.00 0.15 -1.26 -4.80 113.70 113.09 3kow s SER 308 Ca 0.37 0.00 0.12 0.00 0.70 0.00 0.00 55.95 57.15 3kow s SER 308 Cb 0.22 -2.39 0.68 0.00 -1.71 0.00 0.00 66.02 62.82 3kow s SER 308 CO 0.31 -0.86 1.80 0.71 1.20 0.00 0.00 173.24 176.39 3kow h THR 309 N 5.92 1.29 -0.42 6.45 1.35 -1.89 -2.05 112.91 123.57 3kow h THR 309 Ca -0.25 -1.37 -0.09 0.00 -0.55 0.00 0.00 66.41 64.15 3kow h THR 309 Cb 1.09 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 3kow h THR 309 CO 0.95 0.39 -0.09 -0.09 -0.25 0.00 0.00 175.52 176.43 3kow h ARG 310 N 0.00 0.79 -0.49 4.72 2.43 -1.91 -1.86 114.38 118.06 3kow h ARG 310 Ca -0.00 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 3kow h ARG 310 Cb 0.71 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3kow h ARG 310 CO 0.05 0.91 0.18 1.49 -1.51 0.00 0.00 179.97 181.09 3kow h GLU 311 N 0.61 0.72 -0.08 0.20 4.81 -1.81 -1.55 114.58 117.48 3kow h GLU 311 Ca 0.11 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3kow h GLU 311 Cb 0.61 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 3kow h GLU 311 CO 0.04 0.61 -0.02 0.00 -0.73 0.00 0.00 179.01 178.91 3kow h ALA 312 N 1.49 0.11 -0.64 2.92 0.00 -1.25 -2.81 119.26 119.08 3kow h ALA 312 Ca 0.17 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.99 3kow h ALA 312 Cb 0.17 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.81 3kow h ALA 312 CO -0.01 -0.17 -0.17 1.15 0.00 0.00 0.00 179.25 180.05 3kow h THR 313 N -0.18 0.34 -0.48 0.00 2.02 -0.60 0.12 112.91 114.13 3kow h THR 313 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 3kow h THR 313 Cb 0.42 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3kow h THR 313 CO 0.01 0.00 0.29 0.58 0.37 0.00 0.00 175.52 176.76 3kow h VAL 314 N -0.01 1.15 -0.67 3.16 2.07 -1.30 -0.85 116.25 119.80 3kow h VAL 314 Ca 0.30 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3kow h VAL 314 Cb 0.48 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3kow h VAL 314 CO -0.66 0.16 0.34 0.74 0.02 0.00 0.00 177.57 178.16 3kow h THR 315 N 0.64 1.21 -0.32 2.57 2.02 -1.07 -1.90 112.91 116.06 3kow h THR 315 Ca 0.17 -0.56 -0.14 0.00 0.77 0.00 0.00 66.41 66.65 3kow h THR 315 Cb 0.01 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3kow h THR 315 CO -0.03 0.24 -0.36 0.45 0.37 0.00 0.00 175.52 176.19 3kow h HIS 316 N 0.94 0.87 -0.17 3.16 3.86 -0.18 -0.66 115.15 122.97 3kow h HIS 316 Ca 0.23 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3kow h HIS 316 Cb 0.07 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3kow h HIS 316 CO 0.01 0.99 0.08 0.28 0.86 0.00 0.00 177.93 180.15 3kow h VAL 317 N 0.61 1.14 -0.42 2.45 2.07 -0.95 0.24 116.25 121.39 3kow h VAL 317 Ca 0.06 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.30 3kow h VAL 317 Cb 0.90 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3kow h VAL 317 CO 0.08 0.13 0.30 -0.07 0.02 0.00 0.00 177.57 178.03 3kow h LEU 318 N 0.15 0.00 -0.08 2.57 3.38 -1.08 0.24 115.31 120.48 3kow h LEU 318 Ca 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 3kow h LEU 318 Cb 0.13 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kow h LEU 318 CO -0.01 0.00 -0.53 0.78 0.09 0.00 0.00 178.44 178.78 3kow h ASN 319 N 0.00 0.61 0.43 -0.43 -0.26 0.12 -2.87 115.58 113.18 3kow h ASN 319 Ca 0.20 -0.66 -0.00 0.00 -0.56 0.00 0.00 56.30 55.27 3kow h ASN 319 Cb 0.79 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.87 3kow h ASN 319 CO -0.00 1.18 -0.01 -0.07 -1.06 0.00 0.00 177.43 177.46 3kow h LEU 320 N 0.08 0.00 -0.32 1.61 3.38 0.91 -1.45 115.31 119.52 3kow h LEU 320 Ca -0.04 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 3kow h LEU 320 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3kow h LEU 320 CO 0.11 0.01 -0.80 0.25 0.09 0.00 0.00 178.44 178.09 3kow h LEU 321 N 0.00 0.49 -0.74 1.67 5.85 -0.80 -1.46 115.31 120.33 3kow h LEU 321 Ca -0.00 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 3kow h LEU 321 Cb 0.23 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3kow h LEU 321 CO 0.00 1.11 0.21 0.40 -0.34 0.00 0.00 178.44 179.83 3kow h ILE 322 N 0.26 1.26 -0.21 4.05 1.08 -1.14 -0.39 117.51 122.43 3kow h ILE 322 Ca -0.05 -0.93 -0.03 0.00 -0.39 0.00 0.00 64.86 63.46 3kow h ILE 322 Cb 1.40 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 3kow h ILE 322 CO 0.14 0.37 0.02 0.28 -0.69 0.00 0.00 178.15 178.26 3kow h SER 323 N 1.10 0.34 -0.83 1.72 0.02 -1.42 -0.87 113.55 113.62 3kow h SER 323 Ca 0.24 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3kow h SER 323 Cb 0.33 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 3kow h SER 323 CO -0.00 0.54 0.49 0.50 -1.14 0.00 0.00 176.83 177.21 3kow h LYS 324 N 0.13 1.14 0.00 3.45 1.63 -1.12 -2.33 116.57 119.47 3kow h LYS 324 Ca 0.06 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3kow h LYS 324 Cb 0.35 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 3kow h LYS 324 CO 0.01 0.81 0.00 -0.07 -3.45 0.00 0.00 179.45 176.75 3kow h LEU 325 N 1.16 0.00 0.00 5.20 3.38 -0.66 -3.43 115.31 120.96 3kow h LEU 325 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3kow h LEU 325 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kow h LEU 325 CO -0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.83 3kow n THR 326 N -2.30 0.00 -3.58 0.22 -2.24 -0.37 -4.93 114.28 101.08 3kow n THR 326 Ca 0.04 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 3kow n THR 326 Cb 0.34 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 3kow n THR 326 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kow s ARG 327 N 1.57 0.71 -0.14 -0.78 1.70 -0.90 -5.00 118.95 116.11 3kow s ARG 327 Ca 0.00 0.31 -0.06 0.00 -0.47 0.00 0.00 55.73 55.51 3kow s ARG 327 Cb 0.00 0.34 0.07 0.00 -0.57 0.00 0.00 34.95 34.79 3kow s ARG 327 CO 0.00 -0.20 0.31 0.00 -1.08 0.00 0.00 175.30 174.34 3kow s ALA 328 N -0.80 -0.75 -0.01 7.88 0.00 -1.26 -4.84 121.76 121.98 3kow s ALA 328 Ca -0.03 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3kow s ALA 328 Cb -0.01 -1.00 -0.26 0.00 0.00 0.00 0.00 23.12 21.84 3kow s ALA 328 CO 0.02 -0.54 0.80 -0.44 0.00 0.00 0.00 175.76 175.60 3kow h ASP 329 N 7.91 0.29 -4.43 0.00 3.32 -1.66 -3.43 116.42 118.42 3kow h ASP 329 Ca -0.22 -0.44 -0.70 0.00 0.02 0.00 0.00 57.03 55.69 3kow h ASP 329 Cb 1.13 -0.09 -0.28 0.00 0.22 0.00 0.00 39.33 40.31 3kow h ASP 329 CO 0.20 1.37 -0.87 -0.63 -1.72 0.00 0.00 179.24 177.59 3kow s ILE 330 N -2.61 2.24 -0.23 0.35 1.01 -1.05 -1.71 121.20 119.18 3kow s ILE 330 Ca -0.09 -1.14 0.01 0.00 0.00 0.00 0.00 60.65 59.44 3kow s ILE 330 Cb 0.07 -1.82 0.06 0.00 0.01 0.00 0.00 42.46 40.78 3kow s ILE 330 CO 0.83 0.52 -0.08 -1.58 0.00 0.00 0.00 174.94 174.63 3kow s GLN 331 N -0.83 1.92 0.25 2.79 2.00 0.34 -2.16 119.66 123.97 3kow s GLN 331 Ca 0.11 -1.06 -0.10 0.00 -2.00 0.00 0.00 55.36 52.31 3kow s GLN 331 Cb -0.10 -2.64 -0.07 0.00 0.80 0.00 0.00 33.01 31.00 3kow s GLN 331 CO 0.00 -0.54 0.57 -1.12 -0.50 0.00 0.00 175.29 173.70 3kow s SER 332 N 1.31 6.61 0.51 6.67 0.01 0.21 -0.56 113.70 128.46 3kow s SER 332 Ca -0.06 0.93 0.04 0.00 1.31 0.00 0.00 55.95 58.17 3kow s SER 332 Cb -0.18 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3kow s SER 332 CO -0.06 -0.10 0.18 0.42 0.41 0.00 0.00 173.24 174.08 3kow s THR 333 N -1.87 1.48 0.02 1.44 -4.23 -1.21 -3.53 115.64 107.73 3kow s THR 333 Ca 0.48 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 3kow s THR 333 Cb -0.11 -2.25 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 3kow s THR 333 CO 0.22 0.00 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.64 3kow s ILE 334 N -2.81 0.16 0.20 2.99 -1.09 -1.26 -4.73 121.20 114.67 3kow s ILE 334 Ca 0.21 -0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 57.58 3kow s ILE 334 Cb 0.00 -0.27 -0.08 0.00 -1.58 0.00 0.00 42.46 40.53 3kow s ILE 334 CO 0.12 -0.37 1.12 0.42 -1.23 0.00 0.00 174.94 174.99 3kow s THR 335 N -1.15 3.74 0.29 2.92 -4.23 -1.26 -4.66 115.64 111.29 3kow s THR 335 Ca -0.12 1.54 0.27 0.00 -1.18 0.00 0.00 61.69 62.20 3kow s THR 335 Cb -0.08 -3.98 0.27 0.00 1.34 0.00 0.00 72.50 70.05 3kow s THR 335 CO -0.01 0.28 1.80 -0.65 -0.54 0.00 0.00 174.62 175.51 3kow h PRO 336 N 4.89 0.00 -0.72 3.99 0.11 -1.89 0.80 132.00 139.19 3kow h PRO 336 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kow h PRO 336 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kow h PRO 336 CO 0.72 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 3kow n ASP 337 N -2.57 4.35 -0.16 -2.05 5.75 -1.26 -4.29 116.55 116.32 3kow n ASP 337 Ca -0.02 -2.18 0.05 0.00 -0.01 0.00 0.00 54.79 52.63 3kow n ASP 337 Cb 0.21 -0.54 0.35 0.00 -1.03 0.00 0.00 41.12 40.12 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 4.30 0.73 0.00 0.11 4.81 -1.06 0.13 114.58 123.60 3kow h GLU 338 Ca 0.00 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 3kow h GLU 338 Cb 1.19 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3kow h GLU 338 CO 0.10 0.48 -0.40 0.78 -0.73 0.00 0.00 179.01 179.24 3kow h GLY 339 N 0.75 0.00 1.52 1.92 0.00 -1.81 -3.31 103.07 102.14 3kow h GLY 339 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.34 3kow h GLY 339 CO -0.09 0.00 -1.33 -0.09 0.00 0.00 0.00 176.54 175.03 3kow h ARG 340 N 0.00 0.19 0.00 4.80 2.43 -0.99 -3.45 114.38 117.36 3kow h ARG 340 Ca -0.01 -0.32 0.05 0.00 -0.81 0.00 0.00 59.98 58.89 3kow h ARG 340 Cb 1.26 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 3kow h ARG 340 CO 0.04 1.08 0.16 0.27 -1.51 0.00 0.00 179.97 180.01 3kow n ASN 341 N -3.43 -0.31 -4.73 -3.80 2.04 -0.42 -4.95 115.26 99.67 3kow n ASN 341 Ca -0.10 -1.12 -0.41 0.00 -0.44 0.00 0.00 54.58 52.50 3kow n ASN 341 Cb 1.02 0.49 -0.03 0.00 -2.53 0.00 0.00 39.78 38.72 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 -2.29 3.76 0.20 3.53 1.01 -1.26 -4.48 120.40 120.87 3kow s VAL 342 Ca 0.06 1.40 -0.31 0.00 0.00 0.00 0.00 61.98 63.13 3kow s VAL 342 Cb -0.00 -3.90 -0.16 0.00 0.00 0.00 0.00 36.38 32.32 3kow s VAL 342 CO 0.00 0.19 0.99 -2.65 0.00 0.00 0.00 175.10 173.63 3kow n PRO 343 N 2.98 0.94 -4.08 2.72 -0.02 -1.26 -4.96 135.00 131.32 3kow n PRO 343 Ca 0.06 0.33 -0.22 0.00 -2.02 0.00 0.00 63.50 61.65 3kow n PRO 343 Cb 0.45 -1.70 -0.04 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.60 3.20 0.18 6.00 0.51 -1.26 -4.87 118.94 122.11 3kow s TRP 344 Ca 0.68 -0.09 -0.22 0.00 -2.12 0.00 0.00 56.10 54.36 3kow s TRP 344 Cb -0.84 -1.45 0.11 0.00 -0.81 0.00 0.00 33.47 30.47 3kow s TRP 344 CO 0.56 0.50 1.58 0.45 -0.51 0.00 0.00 176.95 179.53 3kow h HIS 345 N 1.40 -0.98 -0.16 -1.98 3.86 -0.66 -1.89 115.15 114.74 3kow h HIS 345 Ca -0.49 0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 58.74 3kow h HIS 345 Cb 1.24 0.51 -0.01 0.00 1.06 0.00 0.00 27.41 30.21 3kow h HIS 345 CO 0.53 -0.39 -0.10 -0.84 0.86 0.00 0.00 177.93 177.99 3kow h ILE 346 N -0.18 1.17 0.00 2.45 3.07 -1.96 -2.71 117.51 119.34 3kow h ILE 346 Ca 0.22 -0.71 -0.12 0.00 1.55 0.00 0.00 64.86 65.80 3kow h ILE 346 Cb 0.55 1.15 -0.02 0.00 -0.27 0.00 0.00 36.82 38.24 3kow h ILE 346 CO -0.67 0.23 -0.57 1.88 -1.05 0.00 0.00 178.15 177.97 3kow h TYR 347 N 0.24 0.00 -0.61 0.16 0.05 -1.74 -1.22 116.97 113.85 3kow h TYR 347 Ca 0.05 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 3kow h TYR 347 Cb 0.33 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 3kow h TYR 347 CO 0.01 0.57 0.15 -0.91 -1.05 0.00 0.00 178.16 176.92 3kow h ASN 348 N 0.00 0.92 -0.77 3.88 4.21 -1.36 -0.50 115.58 121.96 3kow h ASN 348 Ca -0.01 -0.23 -0.06 0.00 1.21 0.00 0.00 56.30 57.22 3kow h ASN 348 Cb 1.32 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 38.25 3kow h ASN 348 CO 0.07 0.91 0.26 0.40 -1.29 0.00 0.00 177.43 177.79 3kow h ILE 349 N 0.88 1.26 0.46 2.81 5.03 -1.40 -0.69 117.51 125.88 3kow h ILE 349 Ca 0.19 -0.88 -0.02 0.00 -0.12 0.00 0.00 64.86 64.03 3kow h ILE 349 Cb 0.35 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 34.52 3kow h ILE 349 CO 0.00 0.35 -0.29 -0.33 -0.68 0.00 0.00 178.15 177.20 3kow h GLU 350 N 1.13 -0.69 -0.98 2.37 5.08 -1.03 0.16 114.58 120.62 3kow h GLU 350 Ca 0.25 0.05 0.32 0.00 -1.00 0.00 0.00 59.36 58.97 3kow h GLU 350 Cb 0.28 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.53 3kow h GLU 350 CO -0.01 -0.46 0.46 0.00 -1.00 0.00 0.00 179.01 178.00 3kow h ALA 351 N -0.24 1.80 0.54 3.43 0.00 -0.68 -0.18 119.26 123.94 3kow h ALA 351 Ca -0.05 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kow h ALA 351 Cb 0.59 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.63 3kow h ALA 351 CO 0.05 -0.61 -0.26 0.00 0.00 0.00 0.00 179.25 178.43 3kow h ASP 353 N -1.04 -1.18 -0.58 0.00 3.32 0.05 0.50 116.42 117.49 3kow h ASP 353 Ca -0.07 0.20 0.12 0.00 0.02 0.00 0.00 57.03 57.29 3kow h ASP 353 Cb 0.56 0.54 -0.10 0.00 0.22 0.00 0.00 39.33 40.55 3kow h ASP 353 CO 0.12 -0.34 -0.04 0.74 -1.72 0.00 0.00 179.24 178.00 3kow h THR 354 N -0.29 0.50 -0.85 0.35 2.02 -1.21 0.21 112.91 113.64 3kow h THR 354 Ca 0.16 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 3kow h THR 354 Cb 0.56 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 3kow h THR 354 CO -0.54 0.01 0.45 0.00 0.37 0.00 0.00 175.52 175.82 3kow h ALA 355 N 1.54 1.19 0.06 6.16 0.00 -0.82 -0.11 119.26 127.28 3kow h ALA 355 Ca 0.29 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 3kow h ALA 355 Cb 0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kow h ALA 355 CO -0.52 0.64 -1.10 1.57 0.00 0.00 0.00 179.25 179.84 3kow h LYS 356 N 1.20 0.15 -0.13 0.00 2.10 0.24 -2.87 116.57 117.26 3kow h LYS 356 Ca 0.30 -0.25 -0.03 0.00 -2.00 0.00 0.00 60.65 58.68 3kow h LYS 356 Cb 0.05 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3kow h LYS 356 CO -0.05 1.10 -0.02 0.37 -2.00 0.00 0.00 179.45 178.85 3kow h GLN 357 N 0.05 0.24 -0.24 0.07 4.15 -0.50 -0.53 115.11 118.35 3kow h GLN 357 Ca -0.07 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 3kow h GLN 357 Cb 1.83 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.49 3kow h GLN 357 CO 0.17 0.52 0.13 0.00 -1.93 0.00 0.00 178.83 177.71 3kow h ALA 358 N 0.72 0.31 0.00 3.38 0.00 -1.10 0.15 119.26 122.73 3kow h ALA 358 Ca 0.03 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3kow h ALA 358 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kow h ALA 358 CO 0.01 -0.15 -0.49 -0.07 0.00 0.00 0.00 179.25 178.55 3kow h LEU 359 N 0.28 0.00 -0.09 0.00 3.38 -1.53 -1.75 115.31 115.60 3kow h LEU 359 Ca 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3kow h LEU 359 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kow h LEU 359 CO -0.01 0.49 -0.43 0.40 0.09 0.00 0.00 178.44 178.98 3kow h ILE 360 N 0.00 1.39 -0.56 1.22 1.08 -0.87 -3.03 117.51 116.74 3kow h ILE 360 Ca -0.00 -1.79 0.07 0.00 -0.39 0.00 0.00 64.86 62.74 3kow h ILE 360 Cb 0.92 2.26 -0.03 0.00 -3.07 0.00 0.00 36.82 36.90 3kow h ILE 360 CO 0.06 0.53 0.38 1.23 -0.69 0.00 0.00 178.15 179.66 3kow h GLY 361 N -0.00 0.64 -3.14 5.37 0.00 -0.42 -1.00 103.07 104.51 3kow h GLY 361 Ca -0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 3kow h GLY 361 CO 0.09 0.15 0.13 1.03 0.00 0.00 0.00 176.54 177.94 3kow n MET 362 N -4.47 3.54 -1.68 4.80 2.81 -0.68 -4.93 117.12 116.50 3kow n MET 362 Ca 0.08 -2.44 -0.45 0.00 -1.81 0.00 0.00 57.70 53.08 3kow n MET 362 Cb 0.26 -2.06 -0.04 0.00 -0.71 0.00 0.00 33.22 30.68 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 0.17 3.16 -0.49 7.83 2.03 -0.38 -1.85 116.55 127.02 3kow n ASP 363 Ca 0.28 1.10 -0.06 0.00 0.52 0.00 0.00 54.79 56.62 3kow n ASP 363 Cb 1.10 -1.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 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 3.14 0.71 0.26 0.27 0.00 -1.26 -4.85 105.19 103.46 3kow n GLY 364 Ca 0.15 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -2.37 0.99 5.85 -1.73 -1.66 115.31 116.39 3kow h LEU 365 Ca -0.13 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 3kow h LEU 365 Cb 0.88 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 3kow h LEU 365 CO 0.19 0.10 0.14 0.23 -0.34 0.00 0.00 178.44 178.76 3kow n MET 366 N -4.05 1.74 0.00 1.25 2.81 -1.26 -1.69 117.12 115.91 3kow n MET 366 Ca -0.02 -1.02 0.07 0.00 -1.81 0.00 0.00 57.70 54.92 3kow n MET 366 Cb 0.19 -1.52 -0.06 0.00 -0.71 0.00 0.00 33.22 31.11 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 0.05 0.88 0.00 7.83 8.00 -0.62 -4.67 116.55 128.02 3kow n ASP 367 Ca 0.16 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3kow n ASP 367 Cb 0.77 0.87 0.00 0.00 -0.02 0.00 0.00 41.12 42.74 3kow n ASP 367 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kow n MET 368 N -1.04 2.91 -4.07 -1.24 2.81 -0.75 -5.06 117.12 110.67 3kow n MET 368 Ca 0.04 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.79 3kow n MET 368 Cb 0.24 -0.66 -0.12 0.00 -0.71 0.00 0.00 33.22 31.97 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 -1.12 0.48 0.22 2.03 1.01 -0.68 -5.14 120.40 117.19 3kow s VAL 369 Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 3kow s VAL 369 Cb 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 3kow s VAL 369 CO 0.00 -0.27 0.30 0.00 0.00 0.00 0.00 175.10 175.13 3kow s GLN 370 N -1.22 1.36 0.24 2.72 -2.07 -1.26 -4.52 119.66 114.91 3kow s GLN 370 Ca -0.07 -1.42 -0.25 0.00 -1.82 0.00 0.00 55.36 51.80 3kow s GLN 370 Cb -0.08 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 32.12 3kow s GLN 370 CO 0.00 -0.51 0.83 -0.51 -1.32 0.00 0.00 175.29 173.78 3kow s LEU 371 N -3.08 4.46 -1.36 2.60 1.43 -1.26 -4.96 118.68 116.52 3kow s LEU 371 Ca 0.30 1.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.93 3kow s LEU 371 Cb 0.03 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.65 3kow s LEU 371 CO 0.10 0.08 2.16 0.29 0.23 0.00 0.00 176.35 179.21 3kow n LYS 372 N 1.06 2.69 -0.33 1.70 5.02 -1.26 -4.80 118.16 122.24 3kow n LYS 372 Ca -0.02 -2.54 0.25 0.00 -2.02 0.00 0.00 58.31 53.97 3kow n LYS 372 Cb 0.49 -3.26 0.54 0.00 -0.02 0.00 0.00 35.03 32.79 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 6.36 0.33 -6.32 1.97 9.65 -1.99 -3.34 114.38 121.04 3kow h ARG 373 Ca 0.54 -0.02 -0.68 0.00 -1.10 0.00 0.00 59.98 58.72 3kow h ARG 373 Cb 0.66 -0.07 -0.19 0.00 -1.39 0.00 0.00 29.97 28.97 3kow h ARG 373 CO 1.87 0.22 -0.73 -2.00 2.80 0.00 0.00 179.97 182.12 3kow s GLU 374 N -5.43 2.50 0.00 0.20 2.12 -1.26 -3.06 118.70 113.77 3kow s GLU 374 Ca -0.08 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.52 3kow s GLU 374 Cb 0.25 -2.44 0.00 0.00 0.26 0.00 0.00 34.13 32.20 3kow s GLU 374 CO 0.80 0.61 0.00 0.41 -0.54 0.00 0.00 175.26 176.54 3kow n GLY 375 N 1.81 0.97 0.37 -1.50 0.00 -1.25 -4.78 105.19 100.81 3kow n GLY 375 Ca -0.16 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.07 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 0.87 0.42 1.61 3.04 -1.95 -1.80 116.25 118.43 3kow h VAL 376 Ca 0.00 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.42 3kow h VAL 376 Cb 0.00 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 29.29 3kow h VAL 376 CO 0.00 0.14 -0.43 0.25 -1.01 0.00 0.00 177.57 176.52 3kow h LEU 377 N 0.77 -1.19 -0.93 3.16 5.85 -1.89 -2.88 115.31 118.21 3kow h LEU 377 Ca 0.45 0.10 0.17 0.00 0.84 0.00 0.00 57.88 59.44 3kow h LEU 377 Cb 0.63 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 41.96 3kow h LEU 377 CO -0.21 -0.58 0.52 1.23 -0.34 0.00 0.00 178.44 179.05 3kow h GLY 378 N -0.87 1.58 1.08 3.75 0.00 -1.26 -1.68 103.07 105.67 3kow h GLY 378 Ca -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3kow h GLY 378 CO -0.07 -0.06 0.49 -0.55 0.00 0.00 0.00 176.54 176.35 3kow h ASP 379 N 0.68 1.08 0.21 0.19 3.32 -1.26 -2.26 116.42 118.39 3kow h ASP 379 Ca 0.52 -0.09 -0.29 0.00 0.02 0.00 0.00 57.03 57.19 3kow h ASP 379 Cb 0.78 -0.27 0.03 0.00 0.22 0.00 0.00 39.33 40.09 3kow h ASP 379 CO -0.38 0.86 -1.31 0.74 -1.72 0.00 0.00 179.24 177.43 3kow h THR 380 N 1.22 1.31 -0.96 0.35 2.02 -1.17 -2.61 112.91 113.08 3kow h THR 380 Ca 0.31 -2.62 0.24 0.00 0.77 0.00 0.00 66.41 65.11 3kow h THR 380 Cb 0.00 3.06 -0.13 0.00 -1.74 0.00 0.00 68.15 69.34 3kow h THR 380 CO -0.05 0.78 0.51 0.58 0.37 0.00 0.00 175.52 177.70 3kow h VAL 381 N -0.03 0.48 -0.17 3.16 2.07 -1.26 0.18 116.25 120.68 3kow h VAL 381 Ca -0.23 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3kow h VAL 381 Cb 1.99 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3kow h VAL 381 CO 0.22 0.09 0.07 -0.09 0.02 0.00 0.00 177.57 177.87 3kow h ARG 382 N 0.47 0.26 -0.52 1.57 9.65 -1.35 -3.04 114.38 121.42 3kow h ARG 382 Ca 0.62 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 59.35 3kow h ARG 382 Cb 1.21 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 3kow h ARG 382 CO -0.52 0.35 -0.08 1.49 2.80 0.00 0.00 179.97 184.01 3kow h GLU 383 N 0.12 0.95 -0.53 0.20 4.81 -0.41 -2.41 114.58 117.32 3kow h GLU 383 Ca 0.06 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.01 3kow h GLU 383 Cb 0.18 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 3kow h GLU 383 CO -0.00 0.98 0.27 -0.07 -0.73 0.00 0.00 179.01 179.46 3kow h LEU 384 N 0.86 0.39 0.23 1.64 3.38 -0.76 -1.48 115.31 119.56 3kow h LEU 384 Ca 0.14 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3kow h LEU 384 Cb 0.61 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kow h LEU 384 CO 0.04 0.27 -0.11 0.11 0.09 0.00 0.00 178.44 178.83 3kow h LYS 385 N 0.52 -0.30 -0.71 1.13 1.57 -1.41 -1.93 116.57 115.45 3kow h LYS 385 Ca 0.23 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.14 3kow h LYS 385 Cb 0.14 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 3kow h LYS 385 CO -0.16 -0.18 0.47 0.93 -0.57 0.00 0.00 179.45 179.94 3kow h GLU 386 N -0.34 0.54 -0.10 3.15 5.08 -1.18 0.99 114.58 122.73 3kow h GLU 386 Ca -0.03 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 3kow h GLU 386 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3kow h GLU 386 CO 0.05 0.36 -0.47 0.00 -1.00 0.00 0.00 179.01 177.95 3kow h ARG 387 N 0.56 0.25 -0.22 2.33 3.08 -1.10 -2.23 114.38 117.06 3kow h ARG 387 Ca 0.33 -0.14 -0.18 0.00 0.07 0.00 0.00 59.98 60.06 3kow h ARG 387 Cb 0.54 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3kow h ARG 387 CO -0.11 0.67 -0.60 0.00 -1.07 0.00 0.00 179.97 178.87 3kow h ALA 388 N 1.31 0.54 -0.78 0.04 0.00 -0.06 -2.50 119.26 117.80 3kow h ALA 388 Ca 0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3kow h ALA 388 Cb 0.91 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3kow h ALA 388 CO 0.07 0.69 0.30 0.28 0.00 0.00 0.00 179.25 180.59 3kow h VAL 389 N 0.53 1.26 -0.24 0.00 2.07 -1.08 -2.66 116.25 116.14 3kow h VAL 389 Ca -0.00 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3kow h VAL 389 Cb 1.18 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3kow h VAL 389 CO 0.12 0.34 0.15 -0.07 0.02 0.00 0.00 177.57 178.13 3kow h LEU 390 N 1.14 0.28 -0.69 2.57 3.38 -1.25 -0.13 115.31 120.63 3kow h LEU 390 Ca 0.26 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.29 3kow h LEU 390 Cb 0.24 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 3kow h LEU 390 CO -0.02 0.24 0.33 0.15 0.09 0.00 0.00 178.44 179.23 3kow h PHE 391 N 0.31 0.59 -0.27 1.13 3.57 -1.35 0.16 116.94 121.07 3kow h PHE 391 Ca 0.09 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3kow h PHE 391 Cb 0.00 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 3kow h PHE 391 CO -0.05 0.20 0.02 0.52 -2.23 0.00 0.00 178.31 176.77 3kow h MET 392 N 0.56 0.10 0.08 1.11 2.86 -1.19 -2.27 114.93 116.19 3kow h MET 392 Ca 0.34 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.99 3kow h MET 392 Cb 0.37 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3kow h MET 392 CO -0.28 0.07 -0.16 0.93 1.06 0.00 0.00 176.91 178.53 3kow h GLU 393 N 0.10 -0.30 -0.96 1.72 5.08 0.43 -0.80 114.58 119.85 3kow h GLU 393 Ca 0.13 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.63 3kow h GLU 393 Cb 0.16 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 3kow h GLU 393 CO -0.20 -0.20 0.61 1.49 -1.00 0.00 0.00 179.01 179.71 3kow h GLU 394 N -0.31 0.89 -0.75 2.33 4.81 -0.68 -1.49 114.58 119.38 3kow h GLU 394 Ca 0.03 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3kow h GLU 394 Cb 0.34 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3kow h GLU 394 CO -0.10 0.59 0.24 0.82 -0.73 0.00 0.00 179.01 179.83 3kow h ILE 395 N 0.92 1.26 -0.45 2.32 2.04 -0.78 -2.73 117.51 120.09 3kow h ILE 395 Ca 0.47 -0.91 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 3kow h ILE 395 Cb 0.52 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3kow h ILE 395 CO -0.24 0.36 -0.12 0.40 0.00 0.00 0.00 178.15 178.55 3kow h ILE 396 N 1.11 1.27 0.00 -0.67 2.04 -0.29 -1.76 117.51 119.22 3kow h ILE 396 Ca 0.24 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 3kow h ILE 396 Cb 0.30 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3kow h ILE 396 CO -0.01 0.42 -0.10 -0.08 0.00 0.00 0.00 178.15 178.39 3kow h GLU 397 N 0.70 0.00 -0.09 2.37 4.22 -1.18 -2.45 114.58 118.17 3kow h GLU 397 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.55 3kow h GLU 397 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3kow h GLU 397 CO 0.05 0.10 0.00 0.00 -2.18 0.00 0.00 179.01 176.98 3kow n ALA 398 N -2.34 2.56 -0.20 2.92 0.00 -1.04 -4.87 120.51 117.54 3kow n ALA 398 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3kow n ALA 398 Cb 0.20 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.12 1.29 1.70 0.00 0.00 -0.92 -4.61 105.19 103.77 3kow n GLY 399 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.64 -2.65 0.37 -0.02 0.00 -0.67 -4.46 105.19 96.11 3kow n GLY 400 Ca 0.00 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.00 -0.11 1.61 3.20 -1.95 -2.44 116.97 116.28 3kow h TYR 401 Ca 0.00 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3kow h TYR 401 Cb 0.00 0.43 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 3kow h TYR 401 CO 0.00 -0.46 -0.46 0.74 -1.64 0.00 0.00 178.16 176.35 3kow h PHE 402 N -0.55 -1.32 -0.59 -3.82 0.04 -1.98 -0.68 116.94 108.04 3kow h PHE 402 Ca 0.04 0.05 0.11 0.00 2.80 0.00 0.00 57.97 60.98 3kow h PHE 402 Cb 0.61 0.59 -0.09 0.00 2.20 0.00 0.00 35.95 39.27 3kow h PHE 402 CO -0.35 -0.50 0.09 -0.91 -0.60 0.00 0.00 178.31 176.04 3kow h ASN 403 N -0.53 -0.07 -0.07 2.17 2.35 -1.69 0.37 115.58 118.10 3kow h ASN 403 Ca 0.06 0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3kow h ASN 403 Cb 0.65 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 3kow h ASN 403 CO -0.40 -0.02 -0.21 0.00 -1.65 0.00 0.00 177.43 175.15 3kow h ALA 404 N 1.49 1.15 0.02 -0.83 0.00 -1.27 -0.79 119.26 119.03 3kow h ALA 404 Ca 0.31 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kow h ALA 404 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kow h ALA 404 CO -0.42 0.54 -0.05 0.28 0.00 0.00 0.00 179.25 179.59 3kow h VAL 405 N 0.43 0.88 -0.95 0.00 2.07 0.54 -2.55 116.25 116.67 3kow h VAL 405 Ca 0.07 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.77 3kow h VAL 405 Cb 0.61 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 3kow h VAL 405 CO 0.04 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.91 3kow h GLU 406 N -0.09 0.64 -0.03 1.57 5.08 -0.39 -2.45 114.58 118.90 3kow h GLU 406 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kow h GLU 406 Cb 0.10 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kow h GLU 406 CO -0.04 0.42 0.00 1.04 -1.00 0.00 0.00 179.01 179.44 3kow n GLN 407 N -4.62 1.26 -2.56 2.33 6.02 -0.36 -4.63 117.38 114.82 3kow n GLN 407 Ca 0.20 -0.39 -0.07 0.00 -0.01 0.00 0.00 57.00 56.73 3kow n GLN 407 Cb 0.57 -1.41 0.01 0.00 1.02 0.00 0.00 30.24 30.43 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 0.99 0.33 0.26 1.08 0.00 -0.92 -4.94 105.19 101.99 3kow n GLY 408 Ca 0.18 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.52 0.45 -2.90 1.61 -1.00 -1.70 -3.40 116.94 109.49 3kow h PHE 409 Ca -0.17 -0.05 -0.55 0.00 2.81 0.00 0.00 57.97 60.01 3kow h PHE 409 Cb 1.12 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 40.53 3kow h PHE 409 CO 0.16 0.51 -0.34 -0.06 -1.61 0.00 0.00 178.31 176.97 3kow s PHE 410 N -4.82 3.48 -1.66 -0.55 0.08 -1.26 -4.11 117.98 109.14 3kow s PHE 410 Ca -0.07 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.35 3kow s PHE 410 Cb 0.15 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 3kow s PHE 410 CO 0.76 0.40 0.00 0.28 -0.10 0.00 0.00 175.22 176.56 3kow n VAL 411 N -0.47 -0.78 -2.92 -0.44 0.31 -1.26 -2.50 118.33 110.27 3kow n VAL 411 Ca -0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.92 3kow n VAL 411 Cb 0.53 -2.57 -0.06 0.00 -0.91 0.00 0.00 33.84 30.83 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 -2.12 7.26 0.00 4.52 2.15 -1.26 -4.17 116.67 123.05 3kow s ASP 412 Ca 0.00 1.66 0.27 0.00 0.43 0.00 0.00 52.55 54.92 3kow s ASP 412 Cb 0.00 -2.51 1.42 0.00 -0.30 0.00 0.00 42.92 41.53 3kow s ASP 412 CO 0.00 0.01 1.94 -1.54 -0.17 0.00 0.00 175.17 175.42 3kow n SER 413 N 0.79 0.00 -4.97 -0.34 3.41 -1.26 -4.88 113.62 106.37 3kow n SER 413 Ca -0.01 -0.22 -0.21 0.00 -0.26 0.00 0.00 58.87 58.17 3kow n SER 413 Cb 0.50 -0.24 0.02 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.48 1.74 -0.47 5.00 0.00 -1.26 -4.70 107.32 105.14 3kow s GLY 414 Ca 0.28 -1.29 -0.25 0.00 0.00 0.00 0.00 44.72 43.46 3kow s GLY 414 CO 0.40 -1.07 0.90 -0.47 0.00 0.00 0.00 173.10 172.85 3kow s TYR 415 N -2.60 2.92 0.33 1.90 5.04 -1.24 -4.70 117.35 119.01 3kow s TYR 415 Ca 0.53 0.29 -0.29 0.00 -2.44 0.00 0.00 57.07 55.16 3kow s TYR 415 Cb -0.10 -3.92 -0.11 0.00 0.35 0.00 0.00 41.96 38.18 3kow s TYR 415 CO 0.37 -1.11 1.52 0.98 -1.34 0.00 0.00 175.55 175.97 3kow n TYR 416 N 7.10 2.86 1.33 4.97 9.36 -1.26 0.33 117.16 141.85 3kow n TYR 416 Ca 0.05 0.37 0.14 0.00 3.32 0.00 0.00 57.90 61.77 3kow n TYR 416 Cb 0.48 -2.55 0.70 0.00 -0.63 0.00 0.00 39.34 37.35 3kow n TYR 416 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kow n PRO 417 N 1.25 0.41 -2.08 2.98 -0.04 -1.26 -4.94 135.00 131.32 3kow n PRO 417 Ca 0.05 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 63.12 3kow n PRO 417 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 3kow n PRO 417 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3kow s GLU 418 N -2.55 4.31 -0.09 0.54 2.12 0.15 -5.01 118.70 118.17 3kow s GLU 418 Ca 0.27 2.23 -0.03 0.00 0.36 0.00 0.00 54.97 57.79 3kow s GLU 418 Cb 0.19 -3.12 0.05 0.00 0.26 0.00 0.00 34.13 31.50 3kow s GLU 418 CO 0.42 -0.34 0.17 0.50 -0.54 0.00 0.00 175.26 175.47 3kow s ARG 419 N -0.60 0.05 0.00 4.30 3.52 -1.26 -3.67 118.95 121.29 3kow s ARG 419 Ca 0.57 0.55 0.25 0.00 -0.13 0.00 0.00 55.73 56.96 3kow s ARG 419 Cb -0.40 -0.24 0.52 0.00 -1.56 0.00 0.00 34.95 33.27 3kow s ARG 419 CO 0.44 -0.28 1.42 0.09 -0.81 0.00 0.00 175.30 176.16 3kow n ASN 420 N 5.12 1.09 -3.60 -2.12 3.02 -1.26 -4.99 115.26 112.53 3kow n ASN 420 Ca -0.09 -0.88 -0.22 0.00 -0.03 0.00 0.00 54.58 53.36 3kow n ASN 420 Cb 0.50 0.27 0.05 0.00 -0.61 0.00 0.00 39.78 39.99 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 1.39 -0.57 0.23 7.41 0.00 -1.26 -4.90 105.19 107.50 3kow n GLY 421 Ca 0.10 0.26 0.02 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.02 0.80 -4.94 1.61 5.68 -1.26 -5.07 116.55 110.34 3kow n ASP 422 Ca -0.22 -2.05 -0.24 0.00 -0.50 0.00 0.00 54.79 51.77 3kow n ASP 422 Cb 0.65 -0.19 -0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3kow n ASP 422 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3kow s GLY 423 N -1.24 1.45 -0.06 6.12 0.00 -1.26 -4.78 107.32 107.54 3kow s GLY 423 Ca 0.08 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 43.61 3kow s GLY 423 CO 0.01 -0.77 1.63 -0.42 0.00 0.00 0.00 173.10 173.55 3kow s ILE 424 N -2.48 3.62 -0.25 0.90 -1.09 -1.04 -4.80 121.20 116.06 3kow s ILE 424 Ca 0.44 0.75 -0.12 0.00 -2.23 0.00 0.00 60.65 59.50 3kow s ILE 424 Cb -0.10 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 3kow s ILE 424 CO 0.38 -0.07 0.23 0.00 -1.23 0.00 0.00 174.94 174.25 3kow s ALA 425 N 4.03 3.57 0.05 9.38 0.00 -1.26 -4.57 121.76 132.96 3kow s ALA 425 Ca 0.72 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 3kow s ALA 425 Cb -0.32 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 3kow s ALA 425 CO 0.29 -0.40 0.22 1.03 0.00 0.00 0.00 175.76 176.90 3kow s ARG 426 N 1.48 3.46 -0.12 0.00 1.81 -1.23 -4.99 118.95 119.36 3kow s ARG 426 Ca 0.10 -0.37 -0.15 0.00 -1.72 0.00 0.00 55.73 53.59 3kow s ARG 426 Cb -0.15 -3.04 -0.05 0.00 -0.45 0.00 0.00 34.95 31.27 3kow s ARG 426 CO 0.08 0.62 0.36 -0.65 -0.68 0.00 0.00 175.30 175.02 3kow s GLN 427 N -2.36 4.18 0.21 3.54 -0.21 -1.26 -3.68 119.66 120.07 3kow s GLN 427 Ca 0.33 0.24 -0.09 0.00 0.02 0.00 0.00 55.36 55.86 3kow s GLN 427 Cb -0.13 -3.38 0.26 0.00 1.00 0.00 0.00 33.01 30.76 3kow s GLN 427 CO 0.25 0.32 1.77 0.97 -2.12 0.00 0.00 175.29 176.48 3kow h ILE 428 N 4.48 0.85 -0.05 1.08 6.09 -1.98 0.15 117.51 128.13 3kow h ILE 428 Ca -0.44 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 3kow h ILE 428 Cb 1.18 0.30 0.00 0.00 0.47 0.00 0.00 36.82 38.77 3kow h ILE 428 CO 0.72 0.09 0.00 -0.46 -3.07 0.00 0.00 178.15 175.44 3kow n ASN 429 N -4.92 1.73 -1.74 2.19 6.94 -1.26 -4.55 115.26 113.66 3kow n ASN 429 Ca 0.08 -1.60 0.00 0.00 -0.02 0.00 0.00 54.58 53.05 3kow n ASN 429 Cb 0.24 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 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 1.19 2.18 0.00 4.83 0.00 0.53 -4.59 105.19 109.34 3kow n GLY 430 Ca 0.18 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 5.00 -1.60 3.73 -0.02 0.00 -1.26 -4.18 105.19 106.86 3kow n GLY 431 Ca 0.00 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 3kow n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kow s ILE 432 N 0.00 5.00 0.00 -0.61 -1.09 -0.87 -3.89 121.20 119.74 3kow s ILE 432 Ca 0.00 1.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.75 3kow s ILE 432 Cb 0.00 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 3kow s ILE 432 CO 0.00 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 3kow n GLY 433 N 2.87 0.76 3.76 6.18 0.00 -1.26 0.18 105.19 117.68 3kow n GLY 433 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3kow n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow s ALA 434 N -2.04 3.11 -1.11 4.61 0.00 -1.25 -2.17 121.76 122.90 3kow s ALA 434 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3kow s ALA 434 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3kow s ALA 434 CO 0.00 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.27 3kow n GLY 435 N 0.62 1.14 0.78 0.00 0.00 -1.26 -4.89 105.19 101.59 3kow n GLY 435 Ca 0.06 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.55 2.27 -4.53 2.61 -2.24 -0.92 -4.98 114.28 103.93 3kow n THR 436 Ca -0.10 -2.20 -0.33 0.00 -2.27 0.00 0.00 64.05 59.15 3kow n THR 436 Cb 0.42 -0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.24 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 -2.95 3.43 -0.08 2.28 1.01 -1.26 -5.02 120.40 117.82 3kow s VAL 437 Ca 0.41 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3kow s VAL 437 Cb 0.35 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 3kow s VAL 437 CO 0.05 0.50 -0.23 -0.36 0.00 0.00 0.00 175.10 175.06 3kow s PHE 438 N 0.47 2.53 0.45 5.22 0.08 -1.26 -5.11 117.98 120.36 3kow s PHE 438 Ca -0.06 -0.77 -0.24 0.00 0.12 0.00 0.00 56.93 55.98 3kow s PHE 438 Cb -0.15 -1.66 -0.09 0.00 -0.57 0.00 0.00 43.02 40.55 3kow s PHE 438 CO 0.04 -0.25 1.16 -1.91 -0.10 0.00 0.00 175.22 174.16 3kow n GLU 439 N 3.13 1.62 -3.29 0.44 2.13 -1.26 -4.99 120.64 118.41 3kow n GLU 439 Ca -0.18 0.58 -0.38 0.00 0.66 0.00 0.00 57.16 57.84 3kow n GLU 439 Cb 0.52 -2.26 -0.06 0.00 0.27 0.00 0.00 31.44 29.91 3kow n GLU 439 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3kow s ARG 440 N -2.24 4.33 0.73 5.31 0.52 -1.26 -5.07 118.95 121.27 3kow s ARG 440 Ca 0.64 0.50 -0.12 0.00 -0.52 0.00 0.00 55.73 56.23 3kow s ARG 440 Cb -0.51 -3.42 0.03 0.00 0.52 0.00 0.00 34.95 31.57 3kow s ARG 440 CO 0.56 0.18 1.11 -0.51 0.02 0.00 0.00 175.30 176.66 3kow s ASP 441 N 0.53 5.19 0.62 0.23 1.01 -1.26 -4.93 116.67 118.05 3kow s ASP 441 Ca 0.27 1.11 0.36 0.00 0.71 0.00 0.00 52.55 55.01 3kow s ASP 441 Cb -0.16 -1.87 2.05 0.00 1.01 0.00 0.00 42.92 43.96 3kow s ASP 441 CO 0.11 -1.50 2.28 -0.08 0.21 0.00 0.00 175.17 176.19 3kow h GLU 442 N -0.77 0.00 -0.59 8.23 4.22 -2.02 -1.07 114.58 122.58 3kow h GLU 442 Ca -0.45 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 58.81 3kow h GLU 442 Cb 1.26 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.41 3kow h GLU 442 CO 0.63 0.01 0.17 -0.40 -2.18 0.00 0.00 179.01 177.25 3kow n ASP 443 N -3.45 4.23 -4.73 1.04 5.75 -1.26 -4.83 116.55 113.29 3kow n ASP 443 Ca -0.03 -3.29 -0.40 0.00 -0.01 0.00 0.00 54.79 51.06 3kow n ASP 443 Cb 0.10 -0.69 0.02 0.00 -1.03 0.00 0.00 41.12 39.52 3kow n ASP 443 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kow n TYR 444 N -0.43 2.40 -3.59 2.11 9.36 -0.41 -4.91 117.16 121.69 3kow n TYR 444 Ca 0.37 0.46 -0.15 0.00 3.32 0.00 0.00 57.90 61.90 3kow n TYR 444 Cb 1.24 -2.41 -0.07 0.00 -0.63 0.00 0.00 39.34 37.48 3kow n TYR 444 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 3kow s MET 445 N -2.42 0.86 -0.06 2.98 -2.45 -1.26 -1.88 119.30 115.06 3kow s MET 445 Ca 0.63 0.69 0.06 0.00 -1.25 0.00 0.00 55.69 55.81 3kow s MET 445 Cb -0.47 0.41 -0.01 0.00 1.25 0.00 0.00 34.83 36.02 3kow s MET 445 CO 0.56 -0.17 -0.25 0.00 1.05 0.00 0.00 175.02 176.22 3kow s ALA 446 N -0.19 2.13 -0.49 4.11 0.00 -1.26 -4.99 121.76 121.07 3kow s ALA 446 Ca -0.03 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 3kow s ALA 446 Cb -0.03 -0.68 0.19 0.00 0.00 0.00 0.00 23.12 22.59 3kow s ALA 446 CO 0.03 0.39 2.38 -2.30 0.00 0.00 0.00 175.76 176.26 3kow n PRO 447 N 3.04 2.32 -4.34 0.00 -0.02 -1.26 -4.84 135.00 129.90 3kow n PRO 447 Ca -0.18 -2.40 -0.18 0.00 -2.02 0.00 0.00 63.50 58.73 3kow n PRO 447 Cb 0.52 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 3kow n PRO 447 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kow s VAL 448 N -2.94 0.55 0.15 -1.45 -7.23 -1.26 -3.88 120.40 104.34 3kow s VAL 448 Ca 0.51 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 3kow s VAL 448 Cb 0.37 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 3kow s VAL 448 CO -0.16 0.00 0.35 -0.89 -0.31 0.00 0.00 175.10 174.09 3kow s THR 449 N -3.66 5.22 -1.19 5.32 2.01 -1.26 -4.00 115.64 118.08 3kow s THR 449 Ca 0.36 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 62.09 3kow s THR 449 Cb 0.07 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.92 3kow s THR 449 CO 0.15 -0.03 1.04 0.00 -0.69 0.00 0.00 174.62 175.09 3kow n ALA 450 N -0.17 -1.19 -2.72 7.40 0.00 -1.26 -5.02 120.51 117.55 3kow n ALA 450 Ca -0.04 0.33 -0.36 0.00 0.00 0.00 0.00 53.44 53.37 3kow n ALA 450 Cb 0.52 -4.77 -0.07 0.00 0.00 0.00 0.00 19.45 15.14 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 -3.28 3.44 -0.15 0.00 5.04 -1.26 -4.32 115.29 114.76 3kow s HIS 451 Ca 0.49 0.53 -0.20 0.00 -1.54 0.00 0.00 55.06 54.34 3kow s HIS 451 Cb -0.21 -2.32 -0.24 0.00 0.04 0.00 0.00 32.58 29.85 3kow s HIS 451 CO 0.64 0.22 0.47 0.35 -2.34 0.00 0.00 174.74 174.08 3kow h PHE 452 N 6.77 0.22 -1.70 3.88 3.57 -1.90 -3.49 116.94 124.28 3kow h PHE 452 Ca -0.41 -0.16 -0.10 0.00 3.53 0.00 0.00 57.97 60.83 3kow h PHE 452 Cb 1.16 -0.01 0.06 0.00 2.79 0.00 0.00 35.95 39.95 3kow h PHE 452 CO 0.60 1.45 -0.02 0.41 -2.23 0.00 0.00 178.31 178.53 3kow n GLY 453 N 1.62 -3.29 3.66 2.40 0.00 -1.26 -4.90 105.19 103.43 3kow n GLY 453 Ca -0.25 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3kow n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kow n TYR 454 N -3.51 2.51 -3.94 1.61 9.36 -1.26 -4.99 117.16 116.94 3kow n TYR 454 Ca 0.04 -0.37 -0.30 0.00 3.32 0.00 0.00 57.90 60.59 3kow n TYR 454 Cb 0.16 -2.80 -0.16 0.00 -0.63 0.00 0.00 39.34 35.91 3kow n TYR 454 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kow s ASN 455 N 4.45 3.42 -0.80 2.98 2.47 -1.26 -4.78 114.94 121.42 3kow s ASN 455 Ca 0.89 -0.94 -0.26 0.00 0.42 0.00 0.00 52.86 52.97 3kow s ASN 455 Cb -0.45 -1.12 0.03 0.00 -1.45 0.00 0.00 41.25 38.27 3kow s ASN 455 CO 0.43 -0.19 1.32 0.21 -3.72 0.00 0.00 177.10 175.14 3kow s ASN 456 N 1.47 6.24 -0.23 -4.21 2.47 -0.79 -4.81 114.94 115.07 3kow s ASN 456 Ca -0.02 -0.68 -0.05 0.00 0.42 0.00 0.00 52.86 52.53 3kow s ASN 456 Cb -0.17 -2.56 -0.13 0.00 -1.45 0.00 0.00 41.25 36.94 3kow s ASN 456 CO -0.07 -1.76 -0.25 0.52 -3.72 0.00 0.00 177.10 171.81 3kow n VAL 457 N 6.50 1.31 -0.32 -5.21 0.31 -1.26 -4.51 118.33 115.15 3kow n VAL 457 Ca 0.10 -0.42 0.28 0.00 -0.01 0.00 0.00 64.34 64.29 3kow n VAL 457 Cb 0.49 -1.54 0.48 0.00 -0.91 0.00 0.00 33.84 32.36 3kow n VAL 457 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kow n LYS 458 N -3.59 -0.03 0.00 5.55 5.02 -1.26 0.80 118.16 124.65 3kow n LYS 458 Ca -0.43 0.95 0.06 0.00 -2.02 0.00 0.00 58.31 56.86 3kow n LYS 458 Cb 0.88 -1.82 0.37 0.00 -0.02 0.00 0.00 35.03 34.45 3kow n LYS 458 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kow n GLN 459 N -4.29 0.49 0.02 1.97 10.64 -1.26 -3.66 117.38 121.30 3kow n GLN 459 Ca 0.29 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.46 3kow n GLN 459 Cb 1.10 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 29.08 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 -0.90 -0.32 -3.15 2.61 4.01 0.24 -5.02 117.16 114.63 3kow n TYR 460 Ca 0.09 0.06 -0.15 0.00 -0.16 0.00 0.00 57.90 57.74 3kow n TYR 460 Cb 0.04 0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 39.30 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 -5.11 0.19 0.09 7.72 -1.08 -1.08 -5.02 116.67 112.38 3kow s ASP 461 Ca 0.00 -2.18 -0.05 0.00 -0.52 0.00 0.00 52.55 49.79 3kow s ASP 461 Cb 0.00 0.73 0.11 0.00 -1.46 0.00 0.00 42.92 42.30 3kow s ASP 461 CO 0.00 -0.14 0.57 -0.62 0.52 0.00 0.00 175.17 175.50 3kow n GLU 462 N 3.23 -0.07 -0.31 4.34 4.71 -1.24 -0.09 120.64 131.21 3kow n GLU 462 Ca 0.21 0.57 -0.02 0.00 -0.01 0.00 0.00 57.16 57.91 3kow n GLU 462 Cb 0.51 -0.85 0.04 0.00 -1.01 0.00 0.00 31.44 30.13 3kow n GLU 462 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kow h ALA 463 N 0.58 0.14 0.00 0.62 0.00 -1.95 -2.38 119.26 116.26 3kow h ALA 463 Ca 0.14 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kow h ALA 463 Cb 0.23 0.88 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kow h ALA 463 CO -0.37 -0.61 0.00 1.28 0.00 0.00 0.00 179.25 179.55 3kow n LEU 464 N -5.47 0.58 0.19 0.00 4.32 0.87 -4.32 117.00 113.17 3kow n LEU 464 Ca 0.08 -0.29 0.18 0.00 -0.02 0.00 0.00 56.01 55.96 3kow n LEU 464 Cb 0.39 -0.29 0.80 0.00 -1.62 0.00 0.00 43.42 42.70 3kow n LEU 464 CO -0.07 0.15 1.16 0.58 -1.22 0.00 0.00 177.39 177.98 3kow h VAL 465 N 0.00 0.27 -0.33 4.08 2.07 -1.57 0.37 116.25 121.14 3kow h VAL 465 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kow h VAL 465 Cb 0.29 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3kow h VAL 465 CO 0.00 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.05 3kow n SER 466 N -3.47 3.14 -2.76 0.57 3.41 -1.26 -4.58 113.62 108.67 3kow n SER 466 Ca 0.03 -1.91 -0.10 0.00 -0.26 0.00 0.00 58.87 56.63 3kow n SER 466 Cb 0.47 -0.21 0.06 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.19 1.12 0.15 4.33 -0.58 0.13 -4.97 120.64 122.01 3kow n GLU 467 Ca 0.16 -2.66 0.09 0.00 -0.42 0.00 0.00 57.16 54.33 3kow n GLU 467 Cb 0.52 -0.91 0.48 0.00 -0.57 0.00 0.00 31.44 30.96 3kow n GLU 467 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3kow n PRO 468 N -0.13 0.11 0.03 3.49 -0.02 -1.05 0.26 135.00 137.70 3kow n PRO 468 Ca 0.07 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 3kow n PRO 468 Cb 0.79 -1.97 0.52 0.00 -0.02 0.00 0.00 33.50 32.81 3kow n PRO 468 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kow n SER 469 N -2.14 0.24 0.00 2.55 3.41 -1.25 -2.43 113.62 114.01 3kow n SER 469 Ca -0.01 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3kow n SER 469 Cb 0.12 -0.59 0.61 0.00 -0.26 0.00 0.00 64.21 64.10 3kow n SER 469 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kow n LYS 470 N -1.73 0.14 0.18 4.33 5.02 0.14 0.82 118.16 127.06 3kow n LYS 470 Ca 0.06 0.04 0.02 0.00 -2.02 0.00 0.00 58.31 56.41 3kow n LYS 470 Cb 0.33 -1.50 0.35 0.00 -0.02 0.00 0.00 35.03 34.19 3kow n LYS 470 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kow h LEU 471 N 0.00 0.02 -2.15 -0.35 -0.00 -1.66 -3.29 115.31 107.89 3kow h LEU 471 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3kow h LEU 471 Cb 0.38 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 3kow h LEU 471 CO 0.00 0.39 0.00 2.30 -0.00 0.00 0.00 178.44 181.13 3kow n ILE 472 N -4.09 0.56 -1.19 1.22 -5.35 -1.06 -5.00 119.36 104.46 3kow n ILE 472 Ca -0.02 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 3kow n ILE 472 Cb 0.41 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 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 -0.17 -0.80 0.00 7.28 8.00 -0.87 -4.93 116.55 125.07 3kow n ASP 473 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3kow n ASP 473 Cb 0.17 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.62 -1.34 0.00 0.44 0.00 0.24 -4.98 105.19 98.93 3kow n GLY 474 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3kow n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow n THR 476 N -0.22 0.48 0.10 0.00 -2.24 -1.26 -1.63 114.28 109.51 3kow n THR 476 Ca 0.00 0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.89 3kow n THR 476 Cb 0.00 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.45 3kow n THR 476 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kow h LEU 477 N 0.00 0.00 0.00 3.22 3.38 -1.96 -3.30 115.31 116.65 3kow h LEU 477 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kow h LEU 477 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3kow h LEU 477 CO 0.00 0.65 -1.21 -0.62 0.09 0.00 0.00 178.44 177.35 3kow n GLU 478 N -3.19 1.29 -3.67 1.13 4.71 -1.19 -4.82 120.64 114.92 3kow n GLU 478 Ca -0.01 -0.07 -0.29 0.00 -0.01 0.00 0.00 57.16 56.78 3kow n GLU 478 Cb 0.81 -1.27 -0.12 0.00 -1.01 0.00 0.00 31.44 29.85 3kow n GLU 478 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kow s VAL 479 N -2.71 1.37 -1.14 2.62 1.01 -0.64 -4.97 120.40 115.93 3kow s VAL 479 Ca -0.00 -2.81 0.00 0.00 0.00 0.00 0.00 61.98 59.16 3kow s VAL 479 Cb 0.10 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3kow s VAL 479 CO 0.60 -0.99 0.49 -2.65 0.00 0.00 0.00 175.10 172.55 3kow n PRO 480 N 3.17 0.85 0.00 2.72 -0.02 -1.24 -2.20 135.00 138.28 3kow n PRO 480 Ca 0.15 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 3kow n PRO 480 Cb 0.37 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 3kow n PRO 480 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kow n GLU 481 N -0.01 1.57 -0.02 -0.52 4.71 -1.26 -3.99 120.64 121.13 3kow n GLU 481 Ca 0.00 -0.38 0.13 0.00 -0.01 0.00 0.00 57.16 56.90 3kow n GLU 481 Cb 0.18 -0.87 0.58 0.00 -1.01 0.00 0.00 31.44 30.33 3kow n GLU 481 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kow n LYS 482 N -0.29 1.48 -2.05 3.49 5.02 -0.93 -4.88 118.16 120.00 3kow n LYS 482 Ca 0.00 -0.71 -0.34 0.00 -2.02 0.00 0.00 58.31 55.25 3kow n LYS 482 Cb 0.02 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.95 3.19 -0.50 -0.18 1.01 -1.26 -4.94 121.20 116.56 3kow s ILE 483 Ca 0.38 0.66 -0.00 0.00 0.00 0.00 0.00 60.65 61.69 3kow s ILE 483 Cb 0.20 -3.21 0.13 0.00 0.01 0.00 0.00 42.46 39.59 3kow s ILE 483 CO 0.32 -0.24 0.28 -0.69 0.00 0.00 0.00 174.94 174.61 3kow s VAL 484 N -2.00 3.11 0.21 2.92 1.01 -1.26 -5.07 120.40 119.32 3kow s VAL 484 Ca 0.70 -2.75 -0.32 0.00 0.00 0.00 0.00 61.98 59.62 3kow s VAL 484 Cb -0.23 -3.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.92 3kow s VAL 484 CO 0.33 -0.77 1.72 -0.47 0.00 0.00 0.00 175.10 175.91 3kow s TYR 485 N 0.30 2.89 -0.19 5.22 5.04 -1.26 -4.99 117.35 124.36 3kow s TYR 485 Ca 0.14 0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 55.13 3kow s TYR 485 Cb -0.22 -4.14 0.01 0.00 0.35 0.00 0.00 41.96 37.96 3kow s TYR 485 CO -0.03 -4.29 -0.14 0.42 -1.34 0.00 0.00 175.55 170.16 3kow s ILE 486 N 1.10 2.55 -0.10 3.14 -1.09 -1.26 -5.04 121.20 120.50 3kow s ILE 486 Ca 0.74 -0.78 -0.00 0.00 -2.23 0.00 0.00 60.65 58.38 3kow s ILE 486 Cb -0.50 -2.11 -0.00 0.00 -1.58 0.00 0.00 42.46 38.28 3kow s ILE 486 CO 0.33 0.50 -0.01 -0.78 -1.23 0.00 0.00 174.94 173.75 3kow h ASP 487 N 7.94 0.00 -5.16 3.58 3.58 -1.98 -3.37 116.42 121.01 3kow h ASP 487 Ca -0.43 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 56.90 3kow h ASP 487 Cb 1.15 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 42.04 3kow h ASP 487 CO 0.62 0.51 -0.56 -1.61 -2.88 0.00 0.00 179.24 175.32 3kow s GLU 488 N -1.58 0.64 0.00 0.28 0.41 -1.26 -3.27 118.70 113.92 3kow s GLU 488 Ca -0.01 -1.00 0.00 0.00 -0.41 0.00 0.00 54.97 53.56 3kow s GLU 488 Cb 0.00 0.24 0.00 0.00 -1.78 0.00 0.00 34.13 32.59 3kow s GLU 488 CO 0.01 -0.15 0.00 1.28 -0.49 0.00 0.00 175.26 175.91 3kow n LEU 489 N 0.33 0.39 -4.90 1.80 4.77 -1.26 -4.91 117.00 113.22 3kow n LEU 489 Ca -0.16 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.49 3kow n LEU 489 Cb 0.60 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 3kow n LEU 489 CO 0.25 0.07 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.67 3kow s ASP 490 N -2.32 6.43 0.00 -1.43 -1.08 -1.26 -5.02 116.67 111.99 3kow s ASP 490 Ca 0.00 0.44 0.01 0.00 -0.52 0.00 0.00 52.55 52.48 3kow s ASP 490 Cb 0.00 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.43 3kow s ASP 490 CO 0.00 0.19 0.38 -0.62 0.52 0.00 0.00 175.17 175.63 3kow n GLU 491 N 0.63 1.51 -0.03 4.34 1.02 -1.26 -4.68 120.64 122.18 3kow n GLU 491 Ca -0.07 -0.38 -0.05 0.00 -0.02 0.00 0.00 57.16 56.63 3kow n GLU 491 Cb 0.52 -0.87 -0.02 0.00 -0.02 0.00 0.00 31.44 31.06 3kow n GLU 491 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kow n ASN 492 N -0.28 1.49 -4.57 1.62 5.03 -1.26 -4.83 115.26 112.46 3kow n ASN 492 Ca 0.00 0.23 -0.42 0.00 0.87 0.00 0.00 54.58 55.27 3kow n ASN 492 Cb 0.02 -0.55 -0.02 0.00 -1.02 0.00 0.00 39.78 38.22 3kow n ASN 492 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3kow s ASP 493 N -5.87 6.66 0.35 6.41 2.15 -1.26 -4.61 116.67 120.50 3kow s ASP 493 Ca -0.15 -1.91 -0.09 0.00 0.43 0.00 0.00 52.55 50.83 3kow s ASP 493 Cb 0.02 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 3kow s ASP 493 CO 0.23 -1.35 0.60 0.54 -0.17 0.00 0.00 175.17 175.02 3kow s ASN 494 N 4.62 0.46 0.19 -0.34 2.20 -1.26 -4.14 114.94 116.67 3kow s ASN 494 Ca 0.49 -1.29 -0.06 0.00 -0.94 0.00 0.00 52.86 51.07 3kow s ASN 494 Cb 0.02 0.73 0.11 0.00 -2.00 0.00 0.00 41.25 40.11 3kow s ASN 494 CO -0.02 -1.43 1.55 1.62 -2.94 0.00 0.00 177.10 175.88 3kow h VAL 495 N 2.08 1.28 -0.57 3.54 3.04 -1.91 -2.85 116.25 120.86 3kow h VAL 495 Ca -0.29 -1.52 0.03 0.00 -1.01 0.00 0.00 66.70 63.90 3kow h VAL 495 Cb 1.24 1.42 -0.04 0.00 -2.01 0.00 0.00 31.29 31.91 3kow h VAL 495 CO 0.39 0.50 0.35 0.78 -1.01 0.00 0.00 177.57 178.57 3kow h ASN 496 N 0.62 0.57 0.21 3.17 2.35 -1.94 -0.42 115.58 120.14 3kow h ASN 496 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3kow h ASN 496 Cb 0.90 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.15 3kow h ASN 496 CO 0.08 0.40 -0.10 0.58 -1.65 0.00 0.00 177.43 176.74 3kow h VAL 497 N 0.69 0.87 -0.96 2.81 2.07 -1.80 -2.57 116.25 117.35 3kow h VAL 497 Ca 0.23 -0.42 0.22 0.00 0.82 0.00 0.00 66.70 67.55 3kow h VAL 497 Cb 0.02 1.12 -0.12 0.00 -1.52 0.00 0.00 31.29 30.79 3kow h VAL 497 CO -0.10 0.10 0.54 0.03 0.02 0.00 0.00 177.57 178.16 3kow h ARG 498 N -0.49 0.56 -0.37 1.57 3.08 -1.40 -1.79 114.38 115.55 3kow h ARG 498 Ca -0.03 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3kow h ARG 498 Cb 0.37 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3kow h ARG 498 CO 0.05 0.37 0.18 0.52 -1.07 0.00 0.00 179.97 180.02 3kow h MET 499 N 0.58 0.37 -0.66 0.04 2.86 -0.80 -2.98 114.93 114.33 3kow h MET 499 Ca 0.60 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 58.15 3kow h MET 499 Cb 1.07 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.62 3kow h MET 499 CO -0.46 0.24 0.18 1.49 1.06 0.00 0.00 176.91 179.42 3kow h GLU 500 N 0.38 1.03 0.00 1.72 4.22 -0.94 -2.70 114.58 118.29 3kow h GLU 500 Ca 0.16 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.37 3kow h GLU 500 Cb 0.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3kow h GLU 500 CO -0.11 0.90 0.01 -1.91 -2.18 0.00 0.00 179.01 175.72 3kow n GLU 501 N -4.25 0.00 -2.64 1.92 0.00 -1.09 -1.93 120.64 112.66 3kow n GLU 501 Ca 0.05 0.34 0.01 0.00 0.00 0.00 0.00 57.16 57.56 3kow n GLU 501 Cb 0.24 -1.51 0.05 0.00 0.00 0.00 0.00 31.44 30.21 3kow n GLU 501 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3kow n THR 502 N -1.34 1.06 0.33 6.31 -2.24 -1.02 -4.81 114.28 112.58 3kow n THR 502 Ca 0.00 -2.60 0.12 0.00 -2.27 0.00 0.00 64.05 59.30 3kow n THR 502 Cb 0.01 1.26 0.23 0.00 -2.10 0.00 0.00 70.33 69.72 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 2.34 0.00 -0.91 -0.78 6.56 -1.41 -3.24 116.57 119.14 3kow h LYS 503 Ca -0.16 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.50 3kow h LYS 503 Cb 1.36 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.96 3kow h LYS 503 CO 0.16 0.00 0.59 1.05 -2.06 0.00 0.00 179.45 179.19 3kow h GLU 504 N 0.00 0.99 -4.71 3.15 4.11 -1.87 -3.33 114.58 112.92 3kow h GLU 504 Ca 0.00 -0.06 -0.70 0.00 0.07 0.00 0.00 59.36 58.67 3kow h GLU 504 Cb 0.93 -0.22 -0.20 0.00 0.50 0.00 0.00 28.75 29.76 3kow h GLU 504 CO 0.00 0.65 -0.00 -0.06 0.07 0.00 0.00 179.01 179.67 3kow s PHE 505 N -5.90 3.07 0.00 2.06 0.40 -1.22 -4.22 117.98 112.17 3kow s PHE 505 Ca -0.11 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.42 3kow s PHE 505 Cb 0.20 -3.67 0.00 0.00 0.51 0.00 0.00 43.02 40.06 3kow s PHE 505 CO 0.80 -1.09 0.00 0.54 0.70 0.00 0.00 175.22 176.17 3kow n ARG 506 N 6.02 0.00 -2.63 0.44 1.74 -1.25 -5.02 116.66 115.96 3kow n ARG 506 Ca -0.09 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.92 3kow n ARG 506 Cb 0.44 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.92 3kow n ARG 506 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kow n SER 509 N 0.00 2.42 -4.90 0.55 3.41 -1.26 -5.10 113.62 108.73 3kow n SER 509 Ca 0.00 -2.52 -0.28 0.00 -0.26 0.00 0.00 58.87 55.81 3kow n SER 509 Cb 0.00 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 63.52 3kow n SER 509 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3kow s MET 510 N -3.70 3.17 -0.00 4.33 -1.94 -1.26 -3.09 119.30 116.81 3kow s MET 510 Ca 0.33 0.20 -0.05 0.00 -1.71 0.00 0.00 55.69 54.46 3kow s MET 510 Cb 0.35 -2.25 -0.00 0.00 2.01 0.00 0.00 34.83 34.94 3kow s MET 510 CO -0.02 -0.58 0.09 -1.50 -0.01 0.00 0.00 175.02 173.00 3kow s ILE 511 N -2.99 0.07 -0.04 2.53 2.07 -0.86 -4.88 121.20 117.09 3kow s ILE 511 Ca 0.53 -0.57 -0.31 0.00 -1.41 0.00 0.00 60.65 58.89 3kow s ILE 511 Cb -0.11 -0.32 0.07 0.00 0.13 0.00 0.00 42.46 42.23 3kow s ILE 511 CO 0.47 -0.31 0.67 -1.59 -1.91 0.00 0.00 174.94 172.27 3kow s LYS 512 N -1.04 1.06 0.13 3.50 -2.85 -1.26 -2.85 119.74 116.43 3kow s LYS 512 Ca -0.11 0.23 -0.34 0.00 -1.00 0.00 0.00 55.97 54.74 3kow s LYS 512 Cb -0.06 0.50 -0.17 0.00 -2.06 0.00 0.00 37.83 36.04 3kow s LYS 512 CO 0.01 -0.34 1.11 -2.30 0.10 0.00 0.00 175.35 173.93 3kow n PRO 513 N 0.87 0.80 -4.44 1.78 -0.02 -1.26 -4.49 135.00 128.24 3kow n PRO 513 Ca -0.19 0.29 -0.22 0.00 -2.02 0.00 0.00 63.50 61.36 3kow n PRO 513 Cb 0.57 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.19 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 -0.22 1.59 -0.01 -0.52 -1.05 -1.26 0.92 118.70 118.15 3kow s GLU 514 Ca 0.78 -1.82 0.01 0.00 -0.15 0.00 0.00 54.97 53.79 3kow s GLU 514 Cb -0.96 -1.16 -0.01 0.00 -0.44 0.00 0.00 34.13 31.56 3kow s GLU 514 CO 0.53 0.01 0.00 1.33 0.95 0.00 0.00 175.26 178.08 3kow n VAL 515 N -0.62 0.06 0.00 1.83 0.24 -1.26 -4.74 118.33 113.83 3kow n VAL 515 Ca -0.05 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3kow n VAL 515 Cb 0.64 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 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 -1.99 0.00 -4.31 7.34 0.28 -1.26 0.16 120.64 120.86 3kow n GLU 516 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.65 3kow n GLU 516 Cb 0.48 -0.16 -0.11 0.00 1.43 0.00 0.00 31.44 33.08 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 -1.00 3.09 -0.37 -1.84 0.51 -1.26 -4.74 118.94 113.33 3kow s TRP 517 Ca 0.00 -0.16 -0.34 0.00 -2.12 0.00 0.00 56.10 53.48 3kow s TRP 517 Cb 0.00 -1.97 -0.14 0.00 -0.81 0.00 0.00 33.47 30.55 3kow s TRP 517 CO 0.00 0.06 1.30 0.94 -0.51 0.00 0.00 176.95 178.74 3kow n GLN 518 N 3.38 0.00 -3.56 4.98 7.27 -1.26 -1.28 117.38 126.92 3kow n GLN 518 Ca -0.17 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.69 3kow n GLN 518 Cb 0.52 -1.10 0.07 0.00 2.41 0.00 0.00 30.24 32.15 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 3.76 -1.79 0.22 1.69 0.00 -1.26 -4.91 120.51 118.22 3kow n ALA 519 Ca 0.28 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.88 3kow n ALA 519 Cb -0.04 -3.24 0.34 0.00 0.00 0.00 0.00 19.45 16.51 3kow n ALA 519 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3kow h ASP 520 N -2.11 0.00 -0.03 0.00 3.04 -1.26 -3.47 116.42 112.60 3kow h ASP 520 Ca -0.59 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.19 3kow h ASP 520 Cb 1.35 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.64 3kow h ASP 520 CO 0.54 0.17 -0.01 0.61 -2.04 0.00 0.00 179.24 178.51 3kow n GLY 521 N 0.60 0.47 3.73 7.15 0.00 0.26 -4.75 105.19 112.65 3kow n GLY 521 Ca 0.02 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.99 4.78 0.05 2.61 2.01 -1.19 0.15 115.64 122.06 3kow s THR 522 Ca 0.00 1.72 0.03 0.00 0.31 0.00 0.00 61.69 63.75 3kow s THR 522 Cb 0.00 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3kow s THR 522 CO 0.00 0.31 -0.10 0.68 -0.69 0.00 0.00 174.62 174.82 3kow s VAL 523 N 0.27 0.75 -0.16 3.82 -7.23 -0.30 -4.26 120.40 113.28 3kow s VAL 523 Ca 0.41 -1.19 -0.08 0.00 -1.81 0.00 0.00 61.98 59.31 3kow s VAL 523 Cb -0.20 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 3kow s VAL 523 CO 0.24 -0.34 0.13 -0.22 -0.31 0.00 0.00 175.10 174.60 3kow s LEU 524 N -1.68 4.28 -0.10 1.32 2.96 -1.26 -2.12 118.68 122.08 3kow s LEU 524 Ca -0.07 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3kow s LEU 524 Cb -0.10 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.54 3kow s LEU 524 CO 0.01 0.29 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.01 3kow s LEU 525 N -0.30 1.41 0.14 -0.68 2.96 0.36 -4.98 118.68 117.59 3kow s LEU 525 Ca 0.11 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 3kow s LEU 525 Cb -0.11 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 3kow s LEU 525 CO 0.01 -0.05 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.07 3kow s THR 526 N 1.28 3.70 -0.04 3.68 2.01 -1.26 -0.34 115.64 124.67 3kow s THR 526 Ca -0.03 -1.30 -0.29 0.00 0.31 0.00 0.00 61.69 60.39 3kow s THR 526 Cb -0.14 -2.81 0.09 0.00 0.01 0.00 0.00 72.50 69.65 3kow s THR 526 CO -0.04 -0.01 0.79 0.00 -0.69 0.00 0.00 174.62 174.67 3kow s MET 527 N -2.64 0.93 -0.10 4.92 0.23 -0.73 -5.02 119.30 116.89 3kow s MET 527 Ca 0.26 0.02 -0.05 0.00 -1.03 0.00 0.00 55.69 54.89 3kow s MET 527 Cb -0.10 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 3kow s MET 527 CO 0.17 -0.33 0.10 0.12 -2.03 0.00 0.00 175.02 173.05 3kow s PHE 528 N -1.90 3.45 -0.05 3.16 5.36 -1.26 -1.21 117.98 125.54 3kow s PHE 528 Ca -0.04 0.41 0.02 0.00 -0.96 0.00 0.00 56.93 56.37 3kow s PHE 528 Cb -0.00 -1.88 0.01 0.00 -0.34 0.00 0.00 43.02 40.80 3kow s PHE 528 CO 0.01 0.65 -0.11 -0.51 -1.46 0.00 0.00 175.22 173.80 3kow s LEU 529 N -1.02 1.68 0.00 6.12 1.43 0.45 -4.95 118.68 122.38 3kow s LEU 529 Ca 0.15 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3kow s LEU 529 Cb -0.12 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.41 3kow s LEU 529 CO 0.04 0.05 0.79 -2.65 0.23 0.00 0.00 176.35 174.81 3kow n PRO 530 N 3.59 0.72 -4.22 1.29 -0.02 -1.26 -0.27 135.00 134.82 3kow n PRO 530 Ca -0.21 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.14 3kow n PRO 530 Cb 0.53 -1.14 -0.10 0.00 -0.02 0.00 0.00 33.50 32.76 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 0.31 0.07 1.12 3.45 -1.32 -1.26 -4.57 115.64 113.44 3kow s THR 531 Ca 0.00 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.30 3kow s THR 531 Cb 0.00 -2.52 0.11 0.00 -1.51 0.00 0.00 72.50 68.59 3kow s THR 531 CO 0.00 0.00 0.08 -1.54 -2.21 0.00 0.00 174.62 170.95 3kow n SER 532 N -0.41 -2.32 -0.04 8.08 3.41 -1.25 -3.83 113.62 117.26 3kow n SER 532 Ca 0.02 -0.10 -0.14 0.00 -0.26 0.00 0.00 58.87 58.39 3kow n SER 532 Cb 0.66 -0.99 -0.11 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.08 0.05 0.09 4.33 2.10 -1.92 -1.63 116.57 117.51 3kow h LYS 533 Ca -0.54 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.05 3kow h LYS 533 Cb 1.36 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 3kow h LYS 533 CO 0.39 0.80 -0.04 -0.09 -2.00 0.00 0.00 179.45 178.51 3kow h ARG 534 N -0.67 -0.11 -0.09 0.07 2.43 -1.98 0.76 114.38 114.78 3kow h ARG 534 Ca -0.01 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3kow h ARG 534 Cb 0.83 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 3kow h ARG 534 CO 0.01 0.06 -0.49 0.28 -1.51 0.00 0.00 179.97 178.32 3kow h VAL 535 N -0.27 0.00 -1.00 0.20 2.07 -1.95 -2.23 116.25 113.07 3kow h VAL 535 Ca -0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.73 3kow h VAL 535 Cb 0.23 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.90 3kow h VAL 535 CO 0.02 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.23 3kow h ALA 536 N -0.43 1.91 -0.79 1.67 0.00 -1.02 0.19 119.26 120.79 3kow h ALA 536 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kow h ALA 536 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kow h ALA 536 CO -0.38 -0.30 0.00 -1.91 0.00 0.00 0.00 179.25 176.66 3kow n GLU 537 N -4.71 0.00 -0.23 0.00 2.13 0.24 -1.27 120.64 116.79 3kow n GLU 537 Ca 0.24 0.58 0.15 0.00 0.66 0.00 0.00 57.16 58.79 3kow n GLU 537 Cb 0.70 -1.37 0.45 0.00 0.27 0.00 0.00 31.44 31.49 3kow n GLU 537 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 3kow h PHE 538 N 0.00 0.65 0.00 4.31 0.04 -1.25 0.37 116.94 121.05 3kow h PHE 538 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3kow h PHE 538 Cb 0.00 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 37.95 3kow h PHE 538 CO -0.19 0.22 0.00 0.00 -0.60 0.00 0.00 178.31 177.74 3kow h ALA 539 N 1.62 1.00 0.03 2.45 0.00 -0.34 -1.95 119.26 122.06 3kow h ALA 539 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 55.02 3kow h ALA 539 Cb 0.87 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3kow h ALA 539 CO -0.17 0.00 -1.87 0.00 0.00 0.00 0.00 179.25 177.20 3kow n ALA 540 N -1.94 1.37 -0.32 0.00 0.00 0.13 -3.94 120.51 115.81 3kow n ALA 540 Ca -0.02 -0.81 -0.03 0.00 0.00 0.00 0.00 53.44 52.58 3kow n ALA 540 Cb 0.09 -0.71 0.09 0.00 0.00 0.00 0.00 19.45 18.92 3kow n ALA 540 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kow h ILE 541 N 0.01 1.21 -0.47 0.00 1.08 -1.18 -1.75 117.51 116.41 3kow h ILE 541 Ca -0.35 -0.40 0.02 0.00 -0.39 0.00 0.00 64.86 63.73 3kow h ILE 541 Cb 2.04 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 3kow h ILE 541 CO 0.07 0.21 0.29 -0.33 -0.69 0.00 0.00 178.15 177.70 3kow h GLU 542 N 1.16 0.56 -0.97 2.37 4.39 -1.67 -0.30 114.58 120.13 3kow h GLU 542 Ca 0.32 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 3kow h GLU 542 Cb -0.11 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.36 3kow h GLU 542 CO -0.08 0.37 0.60 0.74 -1.16 0.00 0.00 179.01 179.48 3kow h PHE 543 N 0.58 1.26 -0.71 4.33 0.04 -1.57 -0.16 116.94 120.71 3kow h PHE 543 Ca 0.18 0.01 0.04 0.00 2.80 0.00 0.00 57.97 61.00 3kow h PHE 543 Cb -0.01 -0.42 -0.05 0.00 2.20 0.00 0.00 35.95 37.67 3kow h PHE 543 CO -0.06 0.82 0.43 0.00 -0.60 0.00 0.00 178.31 178.90 3kow h ALA 544 N 1.33 0.94 0.60 2.45 0.00 -0.55 -2.27 119.26 121.77 3kow h ALA 544 Ca 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3kow h ALA 544 Cb -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3kow h ALA 544 CO -0.07 0.16 -0.38 0.87 0.00 0.00 0.00 179.25 179.83 3kow h LYS 545 N 0.81 -0.89 -0.06 0.00 1.79 -0.27 -2.45 116.57 115.50 3kow h LYS 545 Ca 0.30 0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.85 3kow h LYS 545 Cb 0.10 0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3kow h LYS 545 CO -0.14 -0.60 0.59 0.87 -1.08 0.00 0.00 179.45 179.09 3kow h LYS 546 N -0.93 0.00 -0.27 3.15 1.79 -0.88 0.97 116.57 120.41 3kow h LYS 546 Ca -0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3kow h LYS 546 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 3kow h LYS 546 CO 0.07 0.00 0.00 -1.33 -1.08 0.00 0.00 179.45 177.11 3kow n MET 547 N -2.83 2.05 -0.63 3.15 2.81 -0.87 -4.93 117.12 115.87 3kow n MET 547 Ca 0.00 -1.58 0.00 0.00 -1.81 0.00 0.00 57.70 54.31 3kow n MET 547 Cb 0.64 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 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 0.80 0.00 -4.73 7.83 3.02 0.34 -5.03 115.26 117.49 3kow n ASN 548 Ca 0.17 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.31 3kow n ASN 548 Cb 0.44 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.00 4.47 0.40 3.41 1.43 -1.01 -4.52 118.68 122.87 3kow s LEU 549 Ca 0.00 2.08 0.08 0.00 -1.03 0.00 0.00 54.13 55.25 3kow s LEU 549 Cb 0.00 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 3kow s LEU 549 CO 0.00 -0.25 0.19 -1.83 0.23 0.00 0.00 176.35 174.69 3kow s GLU 550 N -0.19 2.26 -1.50 1.70 -1.05 0.13 -4.38 118.70 115.68 3kow s GLU 550 Ca 0.50 -1.78 -0.06 0.00 -0.15 0.00 0.00 54.97 53.49 3kow s GLU 550 Cb -0.29 -2.04 0.02 0.00 -0.44 0.00 0.00 34.13 31.38 3kow s GLU 550 CO 0.34 -0.09 0.57 0.39 0.95 0.00 0.00 175.26 177.42 3kow n GLU 551 N -1.25 -4.53 -1.96 -4.83 1.02 -1.26 0.18 120.64 108.01 3kow n GLU 551 Ca -0.01 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.52 3kow n GLU 551 Cb 0.64 -5.64 -0.03 0.00 -0.02 0.00 0.00 31.44 26.39 3kow n GLU 551 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kow s VAL 552 N -3.12 3.50 -0.05 2.62 1.01 -1.26 -4.42 120.40 118.68 3kow s VAL 552 Ca 0.32 0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.93 3kow s VAL 552 Cb -0.15 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 3kow s VAL 552 CO 0.39 -0.10 -0.19 -1.61 0.00 0.00 0.00 175.10 173.58 3kow s GLU 553 N 4.39 2.03 -0.04 2.72 2.02 0.14 -4.99 118.70 124.97 3kow s GLU 553 Ca 0.77 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.76 3kow s GLU 553 Cb -0.33 -1.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 3kow s GLU 553 CO 0.31 0.28 1.05 0.08 0.02 0.00 0.00 175.26 177.00 3kow s VAL 554 N 0.00 4.64 -0.58 2.63 1.01 -1.26 -1.12 120.40 125.71 3kow s VAL 554 Ca -0.04 1.91 0.08 0.00 0.00 0.00 0.00 61.98 63.92 3kow s VAL 554 Cb -0.12 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 3kow s VAL 554 CO 0.03 0.07 0.47 2.30 0.00 0.00 0.00 175.10 177.96 3kow n ILE 555 N 4.26 0.00 -3.64 2.22 -5.35 -0.85 -4.95 119.36 111.06 3kow n ILE 555 Ca 0.08 -0.38 -0.07 0.00 -0.27 0.00 0.00 62.75 62.11 3kow n ILE 555 Cb 0.49 1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 39.38 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 -1.37 -0.54 -0.24 7.28 2.47 -1.23 -4.84 114.94 116.47 3kow s ASN 556 Ca 0.05 0.96 -0.00 0.00 0.42 0.00 0.00 52.86 54.29 3kow s ASN 556 Cb 0.06 1.08 0.07 0.00 -1.45 0.00 0.00 41.25 41.01 3kow s ASN 556 CO 0.24 -0.16 -0.00 -0.13 -3.72 0.00 0.00 177.10 173.33 3kow s ARG 557 N 0.72 1.23 -0.05 0.43 0.52 -1.26 -1.96 118.95 118.58 3kow s ARG 557 Ca -0.02 -0.90 -0.04 0.00 -0.52 0.00 0.00 55.73 54.25 3kow s ARG 557 Cb -0.05 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 3kow s ARG 557 CO -0.10 -0.68 0.16 -1.21 0.02 0.00 0.00 175.30 173.49 3kow s GLU 558 N 1.52 3.42 -0.23 3.54 2.02 -0.77 -4.98 118.70 123.23 3kow s GLU 558 Ca -0.01 -0.25 -0.13 0.00 0.02 0.00 0.00 54.97 54.59 3kow s GLU 558 Cb -0.18 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3kow s GLU 558 CO -0.09 0.72 0.29 0.08 0.02 0.00 0.00 175.26 176.27 3kow s VAL 559 N -1.20 5.27 -0.03 2.63 1.01 -1.26 -0.14 120.40 126.68 3kow s VAL 559 Ca 0.22 0.45 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 3kow s VAL 559 Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3kow s VAL 559 CO 0.13 0.28 0.39 0.24 0.00 0.00 0.00 175.10 176.14 3kow h MET 560 N 7.55 -0.21 -3.39 2.72 0.00 -1.54 -3.47 114.93 116.60 3kow h MET 560 Ca -0.36 0.01 -0.20 0.00 0.00 0.00 0.00 59.70 59.15 3kow h MET 560 Cb 1.17 0.05 -0.28 0.00 0.00 0.00 0.00 31.60 32.54 3kow h MET 560 CO 0.68 -0.14 -0.57 -1.14 0.00 0.00 0.00 176.91 175.74 3kow s GLN 561 N -2.27 0.14 0.07 1.72 -0.44 -1.15 -4.98 119.66 112.76 3kow s GLN 561 Ca -0.03 0.22 -0.08 0.00 -2.50 0.00 0.00 55.36 52.97 3kow s GLN 561 Cb 0.00 0.03 0.05 0.00 -1.64 0.00 0.00 33.01 31.45 3kow s GLN 561 CO 0.09 -0.04 0.55 0.39 0.50 0.00 0.00 175.29 176.78 3kow n GLU 562 N 3.23 -0.11 -0.08 1.67 1.02 -1.26 -1.75 120.64 123.36 3kow n GLU 562 Ca -0.15 0.54 -0.11 0.00 -0.02 0.00 0.00 57.16 57.42 3kow n GLU 562 Cb 0.58 -0.80 -0.06 0.00 -0.02 0.00 0.00 31.44 31.13 3kow n GLU 562 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kow h ALA 563 N 0.39 0.10 -1.01 0.62 0.00 -1.96 -3.34 119.26 114.05 3kow h ALA 563 Ca 0.10 -0.71 0.25 0.00 0.00 0.00 0.00 54.91 54.55 3kow h ALA 563 Cb 0.19 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 3kow h ALA 563 CO -0.35 0.49 0.66 0.93 0.00 0.00 0.00 179.25 180.98 3kow h GLU 564 N -1.00 0.38 0.00 0.00 4.39 -1.66 -3.36 114.58 113.34 3kow h GLU 564 Ca -0.13 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.55 3kow h GLU 564 Cb 0.78 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3kow h GLU 564 CO -0.08 0.25 0.00 0.41 -1.16 0.00 0.00 179.01 178.43 3kow n GLY 565 N -1.49 -0.03 2.96 -3.84 0.00 -0.72 -4.22 105.19 97.86 3kow n GLY 565 Ca 0.24 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.01 -0.09 2.61 2.01 0.62 -1.27 115.64 117.51 3kow s THR 566 Ca 0.00 0.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 3kow s THR 566 Cb 0.00 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 3kow s THR 566 CO 0.00 0.01 0.35 -0.60 -0.69 0.00 0.00 174.62 173.69 3kow s ARG 567 N 0.20 4.06 -0.06 4.92 3.52 0.80 -0.41 118.95 131.97 3kow s ARG 567 Ca -0.01 0.24 -0.00 0.00 -0.13 0.00 0.00 55.73 55.82 3kow s ARG 567 Cb -0.02 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 30.07 3kow s ARG 567 CO -0.01 0.45 -0.02 0.42 -0.81 0.00 0.00 175.30 175.33 3kow s ILE 568 N -0.23 0.47 -0.07 4.11 -1.09 -0.35 -1.85 121.20 122.19 3kow s ILE 568 Ca 0.20 -0.00 -0.03 0.00 -2.23 0.00 0.00 60.65 58.59 3kow s ILE 568 Cb -0.15 -0.57 -0.04 0.00 -1.58 0.00 0.00 42.46 40.13 3kow s ILE 568 CO 0.08 0.25 0.05 -1.61 -1.23 0.00 0.00 174.94 172.48 3kow s GLU 569 N 1.49 3.10 0.02 2.79 2.02 -0.83 -1.77 118.70 125.52 3kow s GLU 569 Ca -0.02 -0.36 0.02 0.00 0.02 0.00 0.00 54.97 54.63 3kow s GLU 569 Cb -0.13 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.19 3kow s GLU 569 CO -0.03 0.71 -0.07 -0.51 0.02 0.00 0.00 175.26 175.37 3kow s LEU 570 N -1.12 2.13 -0.04 1.80 1.02 0.53 -2.01 118.68 120.99 3kow s LEU 570 Ca 0.16 -0.33 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 3kow s LEU 570 Cb -0.12 -0.27 -0.04 0.00 0.02 0.00 0.00 46.19 45.79 3kow s LEU 570 CO 0.05 -0.05 0.04 -1.59 0.02 0.00 0.00 176.35 174.82 3kow s LYS 571 N -0.85 3.00 0.08 1.70 -2.85 -0.28 -0.49 119.74 120.05 3kow s LYS 571 Ca -0.03 -0.46 -0.22 0.00 -1.00 0.00 0.00 55.97 54.27 3kow s LYS 571 Cb -0.06 -2.82 0.05 0.00 -2.06 0.00 0.00 37.83 32.95 3kow s LYS 571 CO 0.00 0.67 0.52 0.20 0.10 0.00 0.00 175.35 176.84 3kow s GLY 572 N -1.32 -0.44 0.02 0.59 0.00 -0.90 0.26 107.32 105.54 3kow s GLY 572 Ca 0.18 0.49 -0.17 0.00 0.00 0.00 0.00 44.72 45.22 3kow s GLY 572 CO 0.08 0.19 0.48 0.50 0.00 0.00 0.00 173.10 174.35 3kow s ARG 573 N -2.87 4.06 -0.35 2.90 0.52 0.46 -1.15 118.95 122.53 3kow s ARG 573 Ca -0.03 0.55 -0.21 0.00 -0.52 0.00 0.00 55.73 55.53 3kow s ARG 573 Cb -0.00 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.23 3kow s ARG 573 CO -0.05 0.64 0.64 0.08 0.02 0.00 0.00 175.30 176.63 3kow s VAL 574 N -1.00 4.89 0.37 3.52 1.01 0.40 -0.69 120.40 128.90 3kow s VAL 574 Ca 0.26 0.66 0.20 0.00 0.00 0.00 0.00 61.98 63.10 3kow s VAL 574 Cb -0.18 -4.07 0.20 0.00 0.00 0.00 0.00 36.38 32.33 3kow s VAL 574 CO 0.16 -0.28 1.94 -0.65 0.00 0.00 0.00 175.10 176.26 3kow h PRO 575 N 8.40 0.00 0.00 2.72 0.11 -1.87 -3.43 132.00 137.93 3kow h PRO 575 Ca -0.26 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.71 3kow h PRO 575 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3kow h PRO 575 CO 0.83 0.23 -0.06 1.97 -0.21 0.00 0.00 178.00 180.77 3kow n PHE 576 N -3.87 -1.40 -4.42 0.65 1.16 -1.26 -5.14 117.46 103.17 3kow n PHE 576 Ca -0.02 -0.54 -0.23 0.00 -1.87 0.00 0.00 57.45 54.79 3kow n PHE 576 Cb 0.32 -0.11 -0.08 0.00 -1.61 0.00 0.00 39.48 38.01 3kow n PHE 576 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3kow s SER 577 N -1.76 2.36 -0.00 5.98 0.15 -1.26 -4.89 113.70 114.27 3kow s SER 577 Ca 0.08 -1.73 -0.05 0.00 0.70 0.00 0.00 55.95 54.95 3kow s SER 577 Cb -0.01 0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 64.87 3kow s SER 577 CO 0.05 -1.01 0.10 -0.63 1.20 0.00 0.00 173.24 172.96 3kow s ILE 578 N -3.30 0.07 -0.08 6.45 1.09 -1.13 -5.00 121.20 119.30 3kow s ILE 578 Ca 0.30 -0.59 -0.18 0.00 -1.10 0.00 0.00 60.65 59.08 3kow s ILE 578 Cb 0.02 -0.35 -0.05 0.00 -1.06 0.00 0.00 42.46 41.03 3kow s ILE 578 CO 0.20 -0.32 0.49 -0.62 -0.10 0.00 0.00 174.94 174.59 3kow s ASP 579 N -1.09 6.75 0.00 3.58 -1.08 -1.26 -2.04 116.67 121.53 3kow s ASP 579 Ca -0.12 0.90 0.11 0.00 -0.52 0.00 0.00 52.55 52.92 3kow s ASP 579 Cb -0.07 -2.29 0.58 0.00 -1.46 0.00 0.00 42.92 39.68 3kow s ASP 579 CO 0.01 0.07 1.26 -0.38 0.52 0.00 0.00 175.17 176.64 3kow n ILE 580 N 3.23 0.66 -0.02 4.11 2.08 -1.18 -3.27 119.36 124.98 3kow n ILE 580 Ca -0.08 0.17 -0.01 0.00 0.56 0.00 0.00 62.75 63.38 3kow n ILE 580 Cb 0.52 -0.98 -0.04 0.00 -0.75 0.00 0.00 39.64 38.39 3kow n ILE 580 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3kow n ASN 581 N -1.27 3.68 -1.86 4.38 3.02 -1.26 -4.54 115.26 117.42 3kow n ASN 581 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.48 3kow n ASN 581 Cb 0.09 0.81 -0.00 0.00 -0.61 0.00 0.00 39.78 40.06 3kow n ASN 581 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kow n SER 582 N -2.06 6.05 -4.07 6.41 3.41 -1.20 -4.87 113.62 117.29 3kow n SER 582 Ca -0.07 -2.84 -0.26 0.00 -0.26 0.00 0.00 58.87 55.44 3kow n SER 582 Cb 0.53 -1.13 -0.17 0.00 -0.26 0.00 0.00 64.21 63.18 3kow n SER 582 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kow s LEU 583 N -1.18 1.75 -0.19 1.04 1.43 -1.26 -4.87 118.68 115.41 3kow s LEU 583 Ca 0.28 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.80 3kow s LEU 583 Cb 0.19 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.45 3kow s LEU 583 CO -0.03 0.07 0.74 -0.69 0.23 0.00 0.00 176.35 176.67 3kow s VAL 584 N 0.55 4.94 -0.20 -1.59 1.01 -1.26 -5.03 120.40 118.81 3kow s VAL 584 Ca -0.14 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 3kow s VAL 584 Cb -0.16 -4.05 0.08 0.00 0.00 0.00 0.00 36.38 32.25 3kow s VAL 584 CO 0.05 0.05 0.13 -0.63 0.00 0.00 0.00 175.10 174.70 3kow s ILE 585 N 2.12 -0.15 0.68 2.22 1.01 -1.26 -5.15 121.20 120.67 3kow s ILE 585 Ca 0.34 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 3kow s ILE 585 Cb -0.16 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 3kow s ILE 585 CO 0.11 -0.32 1.08 -2.84 0.00 0.00 0.00 174.94 172.96 3kow s PRO 586 N 2.19 3.07 0.00 2.79 0.02 -1.26 -5.31 135.00 136.50 3kow s PRO 586 Ca 0.04 0.56 0.00 0.00 0.02 0.00 0.00 61.00 61.63 3kow s PRO 586 Cb -0.16 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.32 3kow s PRO 586 CO -0.14 -0.90 0.00 -2.30 -0.33 0.00 0.00 177.00 173.33 3kow n PRO 587 N -2.94 2.21 0.00 5.54 -0.02 -1.26 -5.34 135.00 133.19 3kow n PRO 587 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3kow n PRO 587 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3kow n PRO 587 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kow n ILE 591 N 0.00 0.00 -3.91 4.25 5.41 -1.26 -5.39 119.36 118.46 3kow n ILE 591 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 3kow n ILE 591 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 3kow n ILE 591 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3kow s LEU 592 N 0.00 3.93 0.96 1.39 0.20 -1.26 -5.12 118.68 118.78 3kow s LEU 592 Ca 0.00 -2.26 -0.13 0.00 0.69 0.00 0.00 54.13 52.43 3kow s LEU 592 Cb 0.00 -1.41 0.02 0.00 -0.43 0.00 0.00 46.19 44.38 3kow s LEU 592 CO 0.00 -0.35 0.28 -1.54 -0.29 0.00 0.00 176.35 174.45 3kow n SER 593 N 4.09 -2.43 0.00 3.68 3.41 -1.26 -4.75 113.62 116.36 3kow n SER 593 Ca 0.03 0.29 0.08 0.00 -0.26 0.00 0.00 58.87 59.01 3kow n SER 593 Cb 0.39 -1.15 0.48 0.00 -0.26 0.00 0.00 64.21 63.67 3kow n SER 593 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3kow n GLU 594 N -1.36 0.59 0.00 4.33 0.00 -1.26 -2.52 120.64 120.41 3kow n GLU 594 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 3kow n GLU 594 Cb 0.54 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.55 3kow n GLU 594 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3kow n ASP 595 N -0.93 2.43 0.05 -1.84 8.00 -1.26 -3.60 116.55 119.40 3kow n ASP 595 Ca 0.12 -0.16 -0.20 0.00 0.71 0.00 0.00 54.79 55.26 3kow n ASP 595 Cb 0.06 0.81 -0.14 0.00 -0.02 0.00 0.00 41.12 41.83 3kow n ASP 595 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3kow h GLU 596 N 0.00 0.33 0.44 -1.24 3.07 -1.88 -3.12 114.58 112.18 3kow h GLU 596 Ca 0.00 -0.53 -0.02 0.00 -0.50 0.00 0.00 59.36 58.31 3kow h GLU 596 Cb 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3kow h GLU 596 CO 0.00 1.24 -0.22 0.82 -1.40 0.00 0.00 179.01 179.45 3kow h ILE 597 N -0.31 0.56 -0.64 3.13 2.04 -1.73 -2.79 117.51 117.77 3kow h ILE 597 Ca -0.14 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.81 3kow h ILE 597 Cb 1.63 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 3kow h ILE 597 CO 0.16 0.00 0.42 -0.09 0.00 0.00 0.00 178.15 178.64 3kow h ARG 598 N -0.60 0.51 -0.35 2.37 2.43 -1.70 -1.33 114.38 115.69 3kow h ARG 598 Ca -0.06 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 3kow h ARG 598 Cb 0.46 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3kow h ARG 598 CO 0.10 0.33 -0.12 0.93 -1.51 0.00 0.00 179.97 179.71 3kow h GLU 599 N 0.52 0.61 0.22 0.20 5.08 -1.44 -3.05 114.58 116.72 3kow h GLU 599 Ca 0.29 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3kow h GLU 599 Cb 0.45 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3kow h GLU 599 CO -0.09 0.72 -0.11 0.22 -1.00 0.00 0.00 179.01 178.75 3kow h ASP 600 N 0.56 -0.25 0.00 1.42 -0.00 -0.98 -3.02 116.42 114.14 3kow h ASP 600 Ca 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 3kow h ASP 600 Cb 0.53 0.07 0.00 0.00 -0.00 0.00 0.00 39.33 39.93 3kow h ASP 600 CO 0.03 -0.17 0.00 -0.38 -0.00 0.00 0.00 179.24 178.73 3kow n ILE 601 N -5.21 0.13 0.00 2.25 5.41 -1.15 0.27 119.36 121.06 3kow n ILE 601 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3kow n ILE 601 Cb 0.15 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 3kow n ILE 601 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kow n GLU 602 N 0.27 2.36 0.11 0.38 1.02 -1.15 -4.07 120.64 119.56 3kow n GLU 602 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3kow n GLU 602 Cb 0.20 -0.81 0.06 0.00 -0.02 0.00 0.00 31.44 30.87 3kow n GLU 602 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3kow h LYS 603 N 0.00 0.00 -2.56 3.49 1.57 -1.28 -3.40 116.57 114.39 3kow h LYS 603 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3kow h LYS 603 Cb 0.61 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.53 3kow h LYS 603 CO 0.00 0.75 -0.88 0.99 -0.57 0.00 0.00 179.45 179.75 3kow s THR 604 N -3.24 0.60 0.09 -0.16 2.01 0.14 -5.12 115.64 109.96 3kow s THR 604 Ca -0.00 -2.46 -0.37 0.00 0.31 0.00 0.00 61.69 59.17 3kow s THR 604 Cb 0.11 -1.43 -0.17 0.00 0.01 0.00 0.00 72.50 71.03 3kow s THR 604 CO 0.78 -1.10 1.30 -2.65 -0.69 0.00 0.00 174.62 172.26 3kow n PRO 605 N 3.24 1.06 -4.15 4.92 -0.02 -1.26 -4.07 135.00 134.72 3kow n PRO 605 Ca 0.21 0.38 -0.24 0.00 -2.02 0.00 0.00 63.50 61.83 3kow n PRO 605 Cb 0.42 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 3kow n PRO 605 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kow s LEU 606 N 0.48 3.61 -0.26 2.45 2.96 -1.26 -5.01 118.68 121.64 3kow s LEU 606 Ca 0.84 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.42 3kow s LEU 606 Cb -0.97 -2.19 0.15 0.00 0.50 0.00 0.00 46.19 43.68 3kow s LEU 606 CO 0.48 0.03 0.42 -0.75 -1.32 0.00 0.00 176.35 175.21 3kow s LYS 607 N -3.42 0.40 0.16 1.98 2.20 -1.26 -2.85 119.74 116.95 3kow s LYS 607 Ca 0.31 0.57 0.07 0.00 -0.36 0.00 0.00 55.97 56.56 3kow s LYS 607 Cb -0.09 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.93 3kow s LYS 607 CO 0.22 -0.69 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.02 3kow s ILE 608 N 2.61 3.74 -0.41 5.43 1.10 0.35 -1.58 121.20 132.43 3kow s ILE 608 Ca 0.14 -1.37 0.03 0.00 -0.51 0.00 0.00 60.65 58.93 3kow s ILE 608 Cb -0.15 -2.87 0.12 0.00 0.15 0.00 0.00 42.46 39.71 3kow s ILE 608 CO -0.19 -0.08 0.17 0.68 -2.11 0.00 0.00 174.94 173.41 3kow s VAL 609 N -1.67 1.86 0.22 4.00 -7.23 -1.15 -0.30 120.40 116.13 3kow s VAL 609 Ca 0.27 -2.49 -0.06 0.00 -1.81 0.00 0.00 61.98 57.88 3kow s VAL 609 Cb -0.10 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 3kow s VAL 609 CO 0.18 -0.75 0.50 0.00 -0.31 0.00 0.00 175.10 174.72 3kow s ALA 610 N 0.56 3.66 -0.24 1.32 0.00 -1.25 -2.96 121.76 122.84 3kow s ALA 610 Ca 0.14 -0.47 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 3kow s ALA 610 Cb -0.22 -2.29 0.12 0.00 0.00 0.00 0.00 23.12 20.73 3kow s ALA 610 CO -0.07 0.46 0.99 0.00 0.00 0.00 0.00 175.76 177.15 3kow s ALA 611 N -1.87 -1.94 -0.09 0.00 0.00 -0.71 -2.32 121.76 114.83 3kow s ALA 611 Ca 0.44 1.79 -0.22 0.00 0.00 0.00 0.00 51.96 53.96 3kow s ALA 611 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 3kow s ALA 611 CO 0.25 -0.27 0.66 0.99 0.00 0.00 0.00 175.76 177.40 3kow s THR 612 N -0.17 5.06 0.22 0.00 2.01 -0.90 -1.88 115.64 119.99 3kow s THR 612 Ca 0.01 1.35 0.09 0.00 0.31 0.00 0.00 61.69 63.45 3kow s THR 612 Cb -0.04 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3kow s THR 612 CO -0.03 0.24 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.40 3kow s VAL 613 N 0.94 3.32 0.00 3.82 1.01 -0.90 -1.94 120.40 126.65 3kow s VAL 613 Ca 0.35 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.54 3kow s VAL 613 Cb -0.17 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3kow s VAL 613 CO 0.16 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.63 3kow n GLY 614 N -0.42 1.01 1.74 4.51 0.00 -1.22 -3.89 105.19 106.91 3kow n GLY 614 Ca -0.08 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 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 1.44 1.47 -2.84 1.61 1.02 -1.26 -3.83 120.64 118.24 3kow n GLU 615 Ca 0.00 -3.09 -0.32 0.00 -0.02 0.00 0.00 57.16 53.74 3kow n GLU 615 Cb 0.00 -1.20 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 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 -3.05 6.70 0.00 1.62 3.68 -1.25 -4.83 116.67 119.54 3kow s ASP 616 Ca 0.36 1.38 0.04 0.00 2.13 0.00 0.00 52.55 56.46 3kow s ASP 616 Cb 0.37 -2.42 0.06 0.00 -1.45 0.00 0.00 42.92 39.49 3kow s ASP 616 CO -0.08 -0.37 0.79 -0.62 0.13 0.00 0.00 175.17 175.03 3kow n GLU 617 N -0.94 0.71 -2.91 4.34 -0.58 -1.26 -1.87 120.64 118.13 3kow n GLU 617 Ca 0.05 -1.08 -0.43 0.00 -0.42 0.00 0.00 57.16 55.27 3kow n GLU 617 Cb 0.54 -1.09 -0.05 0.00 -0.57 0.00 0.00 31.44 30.27 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 -0.58 2.83 -0.74 -0.32 3.76 -1.26 -4.85 115.29 114.13 3kow s HIS 618 Ca 0.07 -0.19 0.13 0.00 -0.15 0.00 0.00 55.06 54.92 3kow s HIS 618 Cb 0.04 -3.99 -0.12 0.00 1.11 0.00 0.00 32.58 29.63 3kow s HIS 618 CO 0.06 -1.32 0.60 -1.13 -0.85 0.00 0.00 174.74 172.10 3kow n SER 619 N 7.21 0.77 -0.11 1.40 3.41 -1.26 -4.53 113.62 120.51 3kow n SER 619 Ca -0.01 -0.89 -0.09 0.00 -0.26 0.00 0.00 58.87 57.62 3kow n SER 619 Cb 0.47 0.91 -0.01 0.00 -0.26 0.00 0.00 64.21 65.31 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 0.27 1.16 -0.53 -3.33 2.07 -1.98 -2.40 116.25 111.51 3kow h VAL 620 Ca 0.00 -0.46 0.10 0.00 0.82 0.00 0.00 66.70 67.16 3kow h VAL 620 Cb 0.34 0.83 -0.11 0.00 -1.52 0.00 0.00 31.29 30.83 3kow h VAL 620 CO 0.00 0.17 -0.34 1.23 0.02 0.00 0.00 177.57 178.65 3kow h GLY 621 N 0.42 -0.19 1.30 2.17 0.00 -2.00 0.18 103.07 104.96 3kow h GLY 621 Ca 0.12 0.44 -0.24 0.00 0.00 0.00 0.00 47.33 47.66 3kow h GLY 621 CO -0.02 -0.20 -0.90 -2.00 0.00 0.00 0.00 176.54 173.43 3kow h LEU 622 N -0.20 0.81 -1.31 3.11 5.85 -1.84 -3.15 115.31 118.59 3kow h LEU 622 Ca 0.21 -0.59 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 3kow h LEU 622 Cb 0.55 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3kow h LEU 622 CO -0.64 1.39 -0.34 0.03 -0.34 0.00 0.00 178.44 178.54 3kow h ARG 623 N 0.41 0.00 -0.17 1.25 3.08 -1.18 -2.17 114.38 115.59 3kow h ARG 623 Ca -0.08 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3kow h ARG 623 Cb 1.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 3kow h ARG 623 CO 0.17 0.34 -0.31 0.93 -1.07 0.00 0.00 179.97 180.04 3kow h GLU 624 N 0.00 0.34 -0.50 0.04 4.39 -0.60 -0.16 114.58 118.08 3kow h GLU 624 Ca -0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3kow h GLU 624 Cb 0.63 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3kow h GLU 624 CO 0.04 0.61 0.00 1.33 -1.16 0.00 0.00 179.01 179.84 3kow n VAL 625 N -4.10 0.67 -0.01 3.13 0.24 -1.01 -4.42 118.33 112.82 3kow n VAL 625 Ca -0.01 -0.73 -0.03 0.00 -2.04 0.00 0.00 64.34 61.53 3kow n VAL 625 Cb 0.42 0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 33.27 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 1.16 0.92 -1.38 1.34 5.41 -0.85 -1.20 119.36 124.76 3kow n ILE 626 Ca 0.19 0.27 -0.45 0.00 1.00 0.00 0.00 62.75 63.76 3kow n ILE 626 Cb 0.49 -1.74 -0.02 0.00 -0.71 0.00 0.00 39.64 37.67 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 -3.50 -1.64 0.21 4.38 8.00 -0.10 -2.27 116.55 121.62 3kow n ASP 627 Ca -0.05 1.00 0.08 0.00 0.71 0.00 0.00 54.79 56.54 3kow n ASP 627 Cb 0.18 -0.96 0.41 0.00 -0.02 0.00 0.00 41.12 40.73 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 0.80 0.73 -0.96 0.53 2.10 -1.88 -2.39 117.51 116.44 3kow h ILE 628 Ca -0.33 -1.28 0.09 0.00 1.08 0.00 0.00 64.86 64.42 3kow h ILE 628 Cb 1.43 1.81 -0.12 0.00 -1.09 0.00 0.00 36.82 38.86 3kow h ILE 628 CO 0.53 0.29 -0.57 1.17 -1.08 0.00 0.00 178.15 178.49 3kow n LYS 629 N -3.49 -0.42 -1.70 2.19 3.00 -1.26 -1.22 118.16 115.25 3kow n LYS 629 Ca -0.00 1.45 -0.36 0.00 -0.00 0.00 0.00 58.31 59.40 3kow n LYS 629 Cb 0.45 -2.14 0.05 0.00 0.00 0.00 0.00 35.03 33.40 3kow n LYS 629 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3kow n HIS 630 N -5.19 3.11 -3.60 5.64 8.25 -1.25 -4.90 115.22 117.28 3kow n HIS 630 Ca 0.02 -2.68 -0.23 0.00 -0.26 0.00 0.00 57.72 54.57 3kow n HIS 630 Cb 0.25 -1.19 0.07 0.00 1.12 0.00 0.00 29.99 30.25 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 -0.72 -0.49 0.00 -1.41 0.00 -0.36 -4.47 105.19 97.75 3kow n GLY 631 Ca 0.56 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.79 3kow n GLY 631 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kow n GLY 632 N -1.75 -2.00 0.26 -0.02 0.00 -0.90 -2.10 105.19 98.69 3kow n GLY 632 Ca -0.08 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 3kow n GLY 632 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3kow h ILE 633 N -1.30 1.28 -0.99 -0.61 3.07 -1.05 -3.05 117.51 114.85 3kow h ILE 633 Ca 0.00 -1.50 0.31 0.00 1.55 0.00 0.00 64.86 65.21 3kow h ILE 633 Cb 0.00 1.34 -0.18 0.00 -0.27 0.00 0.00 36.82 37.71 3kow h ILE 633 CO 0.00 0.50 0.15 -0.33 -1.05 0.00 0.00 178.15 177.42 3kow h GLU 634 N 0.72 0.01 -0.01 0.16 5.08 -1.70 0.18 114.58 119.03 3kow h GLU 634 Ca 0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kow h GLU 634 Cb 0.91 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3kow h GLU 634 CO 0.08 0.01 0.02 -0.22 -1.00 0.00 0.00 179.01 177.90 3kow h LYS 635 N 0.01 0.00 -0.02 2.33 3.64 -1.74 -1.87 116.57 118.92 3kow h LYS 635 Ca 0.66 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 3kow h LYS 635 Cb 1.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 3kow h LYS 635 CO -0.89 0.00 -0.25 0.66 -2.27 0.00 0.00 179.45 176.70 3kow n TYR 636 N -3.36 0.00 0.00 1.91 4.01 0.64 -4.95 117.16 115.40 3kow n TYR 636 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3kow n TYR 636 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.35 1.00 3.76 2.72 0.00 -0.70 -4.50 105.19 108.82 3kow n GLY 637 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 2.75 -0.16 1.61 1.01 -1.23 -4.75 120.40 117.63 3kow s VAL 638 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 3kow s VAL 638 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3kow s VAL 638 CO 0.00 -0.10 0.20 -0.70 0.00 0.00 0.00 175.10 174.50 3kow s GLU 639 N -3.32 4.03 -0.22 2.72 2.12 -1.13 -4.56 118.70 118.33 3kow s GLU 639 Ca 0.76 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 56.04 3kow s GLU 639 Cb -0.29 -3.36 0.06 0.00 0.26 0.00 0.00 34.13 30.80 3kow s GLU 639 CO 0.32 0.41 -0.05 0.08 -0.54 0.00 0.00 175.26 175.48 3kow s VAL 640 N -0.01 1.45 -1.26 3.70 1.01 -1.26 0.13 120.40 124.16 3kow s VAL 640 Ca 0.13 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 3kow s VAL 640 Cb -0.12 -1.71 0.17 0.00 0.00 0.00 0.00 36.38 34.72 3kow s VAL 640 CO 0.02 -0.07 1.75 1.41 0.00 0.00 0.00 175.10 178.21 3kow n HIS 641 N 4.71 3.46 -1.72 5.22 8.25 0.58 -4.92 115.22 130.80 3kow n HIS 641 Ca -0.12 -2.94 -0.43 0.00 -0.26 0.00 0.00 57.72 53.98 3kow n HIS 641 Cb 0.45 -1.99 -0.02 0.00 1.12 0.00 0.00 29.99 29.54 3kow n HIS 641 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3kow n TYR 642 N 4.26 2.66 -0.36 4.41 9.36 -1.26 -4.02 117.16 132.21 3kow n TYR 642 Ca 0.39 0.25 0.05 0.00 3.32 0.00 0.00 57.90 61.91 3kow n TYR 642 Cb 0.38 -2.58 0.14 0.00 -0.63 0.00 0.00 39.34 36.64 3kow n TYR 642 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3kow n LEU 643 N 2.60 2.84 0.00 2.98 4.77 -0.98 -4.99 117.00 124.21 3kow n LEU 643 Ca 0.11 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 3kow n LEU 643 Cb 0.35 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3kow n LEU 643 CO 0.64 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 3kow n GLY 644 N -0.08 0.47 3.28 -0.72 0.00 -1.26 -4.79 105.19 102.09 3kow n GLY 644 Ca 0.11 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.76 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 0.06 0.00 2.61 -4.23 -1.26 -2.11 115.64 110.71 3kow s THR 645 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3kow s THR 645 Cb 0.00 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3kow s THR 645 CO 0.00 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.88 3kow n SER 646 N -1.17 0.00 -4.49 3.99 7.64 -0.78 -4.86 113.62 113.96 3kow n SER 646 Ca 0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 3kow n SER 646 Cb 0.64 -2.10 -0.10 0.00 -1.01 0.00 0.00 64.21 61.64 3kow n SER 646 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3kow n VAL 647 N -1.98 0.01 -1.66 0.44 0.31 -1.20 -4.50 118.33 109.75 3kow n VAL 647 Ca 0.00 -0.29 -0.44 0.00 -0.01 0.00 0.00 64.34 63.59 3kow n VAL 647 Cb 0.00 -1.42 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 3kow n VAL 647 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3kow n PRO 648 N 8.53 1.89 -0.20 5.55 -0.02 -1.25 -3.46 135.00 146.04 3kow n PRO 648 Ca 0.52 0.67 -0.05 0.00 -2.02 0.00 0.00 63.50 62.61 3kow n PRO 648 Cb 0.22 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 3kow n PRO 648 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kow n VAL 649 N 1.09 -0.32 -0.31 -1.45 0.31 -1.26 -2.30 118.33 114.10 3kow n VAL 649 Ca 0.09 1.36 0.15 0.00 -0.01 0.00 0.00 64.34 65.93 3kow n VAL 649 Cb 0.32 -1.70 0.33 0.00 -0.91 0.00 0.00 33.84 31.88 3kow n VAL 649 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3kow h GLU 650 N 0.00 0.28 0.00 5.55 4.81 -1.96 -0.60 114.58 122.66 3kow h GLU 650 Ca 0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3kow h GLU 650 Cb 0.19 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3kow h GLU 650 CO -0.44 0.18 -0.04 -0.22 -0.73 0.00 0.00 179.01 177.76 3kow h LYS 651 N 0.29 0.00 0.70 1.92 3.11 -1.80 0.24 116.57 121.02 3kow h LYS 651 Ca 0.59 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.40 3kow h LYS 651 Cb 1.20 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 3kow h LYS 651 CO -0.61 0.04 -0.48 1.25 -2.81 0.00 0.00 179.45 176.85 3kow h LEU 652 N 0.00 -1.23 -0.82 5.20 5.85 -1.26 -0.34 115.31 122.70 3kow h LEU 652 Ca -0.00 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3kow h LEU 652 Cb 0.08 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3kow h LEU 652 CO 0.01 -0.71 0.54 0.58 -0.34 0.00 0.00 178.44 178.51 3kow h VAL 653 N -1.12 1.18 0.00 1.05 2.07 -1.19 -0.09 116.25 118.15 3kow h VAL 653 Ca -0.09 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3kow h VAL 653 Cb 0.92 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3kow h VAL 653 CO 0.06 0.20 -0.00 0.44 0.02 0.00 0.00 177.57 178.29 3kow h ASP 654 N 1.08 -0.00 0.48 0.57 3.32 -1.01 0.14 116.42 121.00 3kow h ASP 654 Ca 0.31 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3kow h ASP 654 Cb -0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3kow h ASP 654 CO -0.09 0.14 -0.19 0.00 -1.72 0.00 0.00 179.24 177.38 3kow h ALA 655 N 0.86 1.25 -0.29 3.45 0.00 -0.76 2.14 119.26 125.92 3kow h ALA 655 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3kow h ALA 655 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kow h ALA 655 CO 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 179.25 179.35 3kow h ALA 656 N 1.81 0.40 -0.50 0.00 0.00 -0.62 0.47 119.26 120.83 3kow h ALA 656 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3kow h ALA 656 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3kow h ALA 656 CO 0.02 0.28 -0.15 0.82 0.00 0.00 0.00 179.25 180.23 3kow h ILE 657 N 0.34 1.27 0.00 0.00 2.04 0.92 0.25 117.51 122.33 3kow h ILE 657 Ca 0.06 -1.30 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 3kow h ILE 657 Cb 0.65 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3kow h ILE 657 CO 0.04 0.45 -0.35 -0.33 0.00 0.00 0.00 178.15 177.96 3kow h GLU 658 N 0.85 0.00 -0.03 2.37 5.08 0.36 -3.19 114.58 120.02 3kow h GLU 658 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3kow h GLU 658 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3kow h GLU 658 CO 0.05 0.35 -0.03 1.47 -1.00 0.00 0.00 179.01 179.86 3kow n LEU 659 N -3.21 2.90 -1.58 1.33 -0.00 0.16 -4.96 117.00 111.65 3kow n LEU 659 Ca 0.02 -0.99 -0.13 0.00 -0.00 0.00 0.00 56.01 54.92 3kow n LEU 659 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 3kow n LEU 659 CO 0.38 0.49 -0.11 0.29 -0.00 0.00 0.00 177.39 178.44 3kow n LYS 660 N 1.24 -1.63 -2.26 1.47 5.02 -0.85 -4.92 118.16 116.23 3kow n LYS 660 Ca 0.13 0.58 -0.42 0.00 -2.02 0.00 0.00 58.31 56.59 3kow n LYS 660 Cb 0.58 -4.75 -0.03 0.00 -0.02 0.00 0.00 35.03 30.81 3kow n LYS 660 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kow s ALA 661 N -2.72 3.58 0.06 7.82 0.00 0.81 -4.96 121.76 126.36 3kow s ALA 661 Ca 0.06 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.65 3kow s ALA 661 Cb -0.03 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 3kow s ALA 661 CO 0.07 -0.95 1.30 -0.44 0.00 0.00 0.00 175.76 175.74 3kow h ASP 662 N 7.94 -0.92 -1.67 0.00 3.32 -1.62 -3.47 116.42 120.01 3kow h ASP 662 Ca -0.36 0.11 -0.62 0.00 0.02 0.00 0.00 57.03 56.17 3kow h ASP 662 Cb 1.17 0.36 -0.13 0.00 0.22 0.00 0.00 39.33 40.94 3kow h ASP 662 CO 0.91 -0.27 -0.51 0.00 -1.72 0.00 0.00 179.24 177.65 3kow s ALA 663 N -4.71 3.56 -0.22 3.45 0.00 -1.21 -2.58 121.76 120.05 3kow s ALA 663 Ca -0.08 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 3kow s ALA 663 Cb 0.04 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.59 3kow s ALA 663 CO 0.33 -0.17 0.06 0.42 0.00 0.00 0.00 175.76 176.40 3kow s ILE 664 N -3.03 0.40 -0.35 0.00 1.01 0.95 -2.96 121.20 117.23 3kow s ILE 664 Ca 0.14 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 3kow s ILE 664 Cb 0.02 -1.04 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 3kow s ILE 664 CO 0.09 -0.34 0.23 -0.76 0.00 0.00 0.00 174.94 174.15 3kow s LEU 665 N 1.90 4.59 0.15 2.97 1.43 -1.16 -0.71 118.68 127.85 3kow s LEU 665 Ca 0.02 -0.63 0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3kow s LEU 665 Cb -0.17 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 3kow s LEU 665 CO -0.14 -0.29 -0.26 0.00 0.23 0.00 0.00 176.35 175.89 3kow s ALA 666 N 1.67 2.37 0.07 4.21 0.00 -0.93 -1.73 121.76 127.41 3kow s ALA 666 Ca 0.05 -1.50 0.07 0.00 0.00 0.00 0.00 51.96 50.58 3kow s ALA 666 Cb -0.18 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3kow s ALA 666 CO 0.09 0.49 -0.17 0.45 0.00 0.00 0.00 175.76 176.62 3kow s SER 667 N -2.23 3.92 -0.19 0.00 0.15 -0.79 -2.68 113.70 111.89 3kow s SER 667 Ca 0.15 -0.45 -0.05 0.00 0.70 0.00 0.00 55.95 56.30 3kow s SER 667 Cb -0.09 -0.63 0.07 0.00 -1.71 0.00 0.00 66.02 63.65 3kow s SER 667 CO 0.07 0.23 0.10 0.42 1.20 0.00 0.00 173.24 175.26 3kow s THR 668 N -1.02 -0.10 -0.21 6.45 -4.23 -0.55 -2.11 115.64 113.87 3kow s THR 668 Ca 0.16 -0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 60.43 3kow s THR 668 Cb -0.11 -0.62 -0.12 0.00 1.34 0.00 0.00 72.50 72.99 3kow s THR 668 CO 0.08 -0.33 -0.21 -0.38 -0.54 0.00 0.00 174.62 173.24 3kow n ILE 669 N 5.28 1.18 -2.03 2.99 2.08 -1.26 -3.91 119.36 123.69 3kow n ILE 669 Ca -0.07 -0.41 -0.37 0.00 0.56 0.00 0.00 62.75 62.46 3kow n ILE 669 Cb 0.48 -1.36 0.03 0.00 -0.75 0.00 0.00 39.64 38.03 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 -2.41 2.63 0.00 1.39 -1.09 -1.26 -4.70 121.20 115.77 3kow s ILE 670 Ca -0.28 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 3kow s ILE 670 Cb 0.08 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 3kow s ILE 670 CO 0.45 -0.06 0.00 -1.54 -1.23 0.00 0.00 174.94 172.56 3kow n SER 671 N -1.28 3.31 -0.18 3.58 3.41 -1.26 -4.26 113.62 116.93 3kow n SER 671 Ca 0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 3kow n SER 671 Cb 0.49 0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3kow n SER 671 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kow n HIS 672 N -2.18 0.06 -2.42 7.33 -0.00 -1.26 0.62 115.22 117.37 3kow n HIS 672 Ca 0.00 0.04 -0.15 0.00 -0.00 0.00 0.00 57.72 57.61 3kow n HIS 672 Cb 0.40 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 3kow n HIS 672 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3kow n ASP 673 N 0.20 -4.59 -4.08 0.26 2.03 -1.26 -3.44 116.55 105.66 3kow n ASP 673 Ca 0.02 -0.07 -0.33 0.00 0.52 0.00 0.00 54.79 54.93 3kow n ASP 673 Cb -0.00 -3.66 -0.03 0.00 -0.72 0.00 0.00 41.12 36.70 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 -0.96 -1.32 -0.26 1.67 10.43 0.20 -4.83 116.55 121.48 3kow n ASP 674 Ca -0.15 -1.17 0.15 0.00 2.57 0.00 0.00 54.79 56.18 3kow n ASP 674 Cb 0.62 -2.25 0.71 0.00 1.84 0.00 0.00 41.12 42.04 3kow n ASP 674 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kow n ILE 675 N -4.60 0.00 0.00 0.53 0.13 -0.86 -2.53 119.36 112.03 3kow n ILE 675 Ca -0.25 -0.14 -0.19 0.00 -1.10 0.00 0.00 62.75 61.08 3kow n ILE 675 Cb 0.65 0.05 -0.14 0.00 -0.84 0.00 0.00 39.64 39.36 3kow n ILE 675 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3kow n HIS 676 N -0.38 1.21 0.08 9.51 1.44 -1.26 -2.76 115.22 123.07 3kow n HIS 676 Ca 0.21 0.28 -0.06 0.00 -2.01 0.00 0.00 57.72 56.14 3kow n HIS 676 Cb 0.25 -1.17 0.10 0.00 0.12 0.00 0.00 29.99 29.29 3kow n HIS 676 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 3kow h TYR 677 N 0.06 0.32 -0.41 -1.40 0.05 -1.93 -2.71 116.97 110.94 3kow h TYR 677 Ca -0.40 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.24 3kow h TYR 677 Cb 2.03 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 39.70 3kow h TYR 677 CO 0.07 0.81 0.21 0.87 -1.05 0.00 0.00 178.16 179.07 3kow h LYS 678 N 0.18 0.56 0.00 4.88 1.57 -1.59 -2.60 116.57 119.57 3kow h LYS 678 Ca -0.01 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.50 3kow h LYS 678 Cb 1.16 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 3kow h LYS 678 CO 0.10 0.42 -1.17 -0.91 -0.57 0.00 0.00 179.45 177.32 3kow h ASN 679 N 0.57 0.00 -0.64 0.86 4.21 -1.34 -3.14 115.58 116.10 3kow h ASN 679 Ca 0.15 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.58 3kow h ASN 679 Cb 0.03 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 3kow h ASN 679 CO -0.02 0.90 0.12 0.24 -1.29 0.00 0.00 177.43 177.38 3kow h MET 680 N 0.00 1.05 -0.02 0.81 2.86 -1.33 -2.81 114.93 115.48 3kow h MET 680 Ca -0.10 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.28 3kow h MET 680 Cb 1.77 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 33.29 3kow h MET 680 CO 0.10 0.96 -0.19 -0.22 1.06 0.00 0.00 176.91 178.63 3kow h LYS 681 N 0.96 -0.21 -0.93 1.72 1.63 -1.47 -1.53 116.57 116.73 3kow h LYS 681 Ca 0.20 0.01 0.20 0.00 -0.85 0.00 0.00 60.65 60.21 3kow h LYS 681 Cb 0.41 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.01 3kow h LYS 681 CO 0.01 -0.14 0.60 0.00 -3.45 0.00 0.00 179.45 176.47 3kow h ARG 682 N -0.22 0.50 -0.76 1.90 3.08 -1.58 0.41 114.38 117.71 3kow h ARG 682 Ca 0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3kow h ARG 682 Cb 0.24 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3kow h ARG 682 CO -0.13 0.33 0.42 0.82 -1.07 0.00 0.00 179.97 180.34 3kow h ILE 683 N 0.51 1.22 0.56 2.04 2.04 -1.15 0.57 117.51 123.30 3kow h ILE 683 Ca 0.49 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3kow h ILE 683 Cb 1.08 0.19 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3kow h ILE 683 CO -0.22 0.25 -0.27 -0.74 0.00 0.00 0.00 178.15 177.17 3kow h HIS 684 N 1.06 -0.69 -0.40 1.37 2.76 0.77 -2.79 115.15 117.24 3kow h HIS 684 Ca 0.27 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.38 3kow h HIS 684 Cb 0.02 0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 3kow h HIS 684 CO 0.01 -0.43 0.07 0.93 -1.30 0.00 0.00 177.93 177.20 3kow h GLU 685 N -1.03 0.66 -0.84 5.26 5.08 -1.21 -0.26 114.58 122.24 3kow h GLU 685 Ca -0.08 -0.18 0.15 0.00 -1.00 0.00 0.00 59.36 58.26 3kow h GLU 685 Cb 0.57 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 3kow h GLU 685 CO 0.13 0.70 0.55 1.25 -1.00 0.00 0.00 179.01 180.64 3kow h LEU 686 N 0.50 0.54 -0.30 1.33 6.46 0.01 0.78 115.31 124.63 3kow h LEU 686 Ca 0.12 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 3kow h LEU 686 Cb 0.37 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 3kow h LEU 686 CO 0.01 0.27 -0.16 0.00 -0.62 0.00 0.00 178.44 177.94 3kow h ALA 687 N 1.62 0.91 0.17 1.25 0.00 -1.08 -3.08 119.26 119.05 3kow h ALA 687 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3kow h ALA 687 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kow h ALA 687 CO -0.17 0.20 -0.08 0.28 0.00 0.00 0.00 179.25 179.48 3kow h VAL 688 N 0.00 0.75 -0.05 0.00 2.07 0.22 -0.72 116.25 118.52 3kow h VAL 688 Ca -0.00 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.42 3kow h VAL 688 Cb 1.02 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3kow h VAL 688 CO 0.02 0.20 0.09 -0.08 0.02 0.00 0.00 177.57 177.82 3kow h GLU 689 N -0.90 0.00 0.00 1.57 4.81 -0.72 0.63 114.58 119.97 3kow h GLU 689 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kow h GLU 689 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3kow h GLU 689 CO 0.04 0.00 -0.24 0.87 -0.73 0.00 0.00 179.01 178.95 3kow h LYS 690 N 0.00 0.00 -0.23 1.92 1.79 -1.56 -3.47 116.57 115.01 3kow h LYS 690 Ca 0.02 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.39 3kow h LYS 690 Cb 0.20 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 3kow h LYS 690 CO -0.00 0.00 -0.09 0.41 -1.08 0.00 0.00 179.45 178.69 3kow n GLY 691 N 1.27 0.69 0.86 3.86 0.00 0.22 -4.85 105.19 107.23 3kow n GLY 691 Ca 0.04 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.58 0.00 -0.37 -0.61 -5.35 -0.78 -4.70 119.36 104.97 3kow n ILE 692 Ca -0.05 -0.50 -0.00 0.00 -0.27 0.00 0.00 62.75 61.93 3kow n ILE 692 Cb 0.30 1.45 -0.01 0.00 -1.74 0.00 0.00 39.64 39.64 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 1.20 0.74 0.00 6.28 3.00 -0.34 -2.81 116.66 124.73 3kow n ARG 693 Ca 0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 3kow n ARG 693 Cb 0.54 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.81 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 1.71 0.00 -1.67 6.15 5.75 -1.26 -4.80 116.55 122.42 3kow n ASP 694 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.68 3kow n ASP 694 Cb 0.37 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.00 1.93 -3.77 0.11 4.01 -1.12 -4.91 118.16 114.41 3kow n LYS 695 Ca 0.00 -1.77 -0.13 0.00 -0.51 0.00 0.00 58.31 55.90 3kow n LYS 695 Cb 0.00 -1.72 -0.10 0.00 -0.51 0.00 0.00 35.03 32.70 3kow n LYS 695 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 3kow s ILE 696 N -1.94 0.03 -0.42 -0.18 2.07 -1.24 -4.90 121.20 114.61 3kow s ILE 696 Ca 0.33 -0.23 -0.05 0.00 -1.41 0.00 0.00 60.65 59.29 3kow s ILE 696 Cb 0.28 -0.51 0.10 0.00 0.13 0.00 0.00 42.46 42.46 3kow s ILE 696 CO 0.07 -0.13 0.23 -0.04 -1.91 0.00 0.00 174.94 173.16 3kow s MET 697 N -0.52 2.21 0.40 3.50 -1.94 -1.06 -4.97 119.30 116.91 3kow s MET 697 Ca -0.06 -1.73 -0.17 0.00 -1.71 0.00 0.00 55.69 52.03 3kow s MET 697 Cb -0.04 -3.66 -0.09 0.00 2.01 0.00 0.00 34.83 33.05 3kow s MET 697 CO 0.02 -1.06 0.85 0.42 -0.01 0.00 0.00 175.02 175.24 3kow s ILE 698 N 1.23 4.58 -0.23 2.53 1.01 -1.26 -0.03 121.20 129.03 3kow s ILE 698 Ca 0.06 1.12 -0.21 0.00 0.00 0.00 0.00 60.65 61.62 3kow s ILE 698 Cb -0.23 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.66 3kow s ILE 698 CO -0.02 -0.35 0.62 -0.83 0.00 0.00 0.00 174.94 174.36 3kow s GLY 699 N -2.47 -0.47 -0.07 6.18 0.00 0.12 -3.07 107.32 107.54 3kow s GLY 699 Ca 0.57 1.75 -0.03 0.00 0.00 0.00 0.00 44.72 47.01 3kow s GLY 699 CO 0.20 1.52 0.15 0.00 0.00 0.00 0.00 173.10 174.97 3kow s GLY 701 N 1.50 2.33 0.00 0.00 0.00 -1.09 -1.60 107.32 108.45 3kow s GLY 701 Ca -0.06 -2.16 0.00 0.00 0.00 0.00 0.00 44.72 42.50 3kow s GLY 701 CO -0.06 -2.01 0.00 0.61 0.00 0.00 0.00 173.10 171.64 3kow n GLY 702 N -0.99 1.65 0.35 0.20 0.00 -1.16 -1.48 105.19 103.76 3kow n GLY 702 Ca -0.04 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 1.20 0.83 -0.01 2.61 2.02 -1.84 -1.84 112.91 115.88 3kow h THR 703 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3kow h THR 703 Cb 0.00 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.28 3kow h THR 703 CO 0.00 0.16 -0.60 0.00 0.37 0.00 0.00 175.52 175.45 3kow n GLN 704 N -4.70 0.47 -2.13 6.66 1.13 -1.26 -4.40 117.38 113.15 3kow n GLN 704 Ca 0.20 -0.35 -0.40 0.00 -1.94 0.00 0.00 57.00 54.51 3kow n GLN 704 Cb 0.43 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 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 -2.77 2.76 -0.13 5.09 1.01 -0.69 -5.03 120.40 120.64 3kow s VAL 705 Ca 0.15 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 3kow s VAL 705 Cb 0.18 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 33.13 3kow s VAL 705 CO 0.68 0.16 -0.02 -0.89 0.00 0.00 0.00 175.10 175.03 3kow s THR 706 N -1.19 0.68 0.58 3.92 2.01 -1.26 -4.31 115.64 116.07 3kow s THR 706 Ca 0.51 -0.26 0.12 0.00 0.31 0.00 0.00 61.69 62.37 3kow s THR 706 Cb -0.38 -0.89 0.18 0.00 0.01 0.00 0.00 72.50 71.41 3kow s THR 706 CO 0.51 0.14 1.05 -2.65 -0.69 0.00 0.00 174.62 172.98 3kow n PRO 707 N 5.03 0.02 0.00 4.92 -0.02 -1.25 -1.52 135.00 142.18 3kow n PRO 707 Ca -0.09 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3kow n PRO 707 Cb 0.49 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3kow n PRO 707 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kow n GLU 708 N -2.70 0.00 0.26 -0.52 4.71 -1.26 -3.30 120.64 117.84 3kow n GLU 708 Ca 0.11 0.47 0.08 0.00 -0.01 0.00 0.00 57.16 57.81 3kow n GLU 708 Cb 1.16 -0.97 0.41 0.00 -1.01 0.00 0.00 31.44 31.03 3kow n GLU 708 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kow h VAL 709 N 0.00 0.00 0.03 2.62 2.07 -1.72 -1.39 116.25 117.86 3kow h VAL 709 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kow h VAL 709 Cb 0.00 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3kow h VAL 709 CO 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 3kow h ALA 710 N 0.85 -0.04 0.00 1.67 0.00 -1.56 -3.24 119.26 116.94 3kow h ALA 710 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kow h ALA 710 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kow h ALA 710 CO 0.00 -0.04 0.00 0.28 0.00 0.00 0.00 179.25 179.49 3kow n VAL 711 N -4.77 1.89 0.14 0.00 0.31 -0.58 -0.56 118.33 114.76 3kow n VAL 711 Ca -0.03 0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 64.80 3kow n VAL 711 Cb 0.12 -1.49 0.26 0.00 -0.91 0.00 0.00 33.84 31.82 3kow n VAL 711 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kow h LYS 712 N 0.00 0.09 -0.46 5.55 1.57 -1.43 -3.21 116.57 118.68 3kow h LYS 712 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kow h LYS 712 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3kow h LYS 712 CO 0.00 0.53 0.00 1.04 -0.57 0.00 0.00 179.45 180.45 3kow n GLN 713 N -3.99 1.77 -1.25 3.15 1.13 0.28 -4.84 117.38 113.62 3kow n GLN 713 Ca -0.02 -0.87 0.00 0.00 -1.94 0.00 0.00 57.00 54.17 3kow n GLN 713 Cb 0.49 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.46 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 0.62 0.57 3.29 1.08 0.00 -1.21 -4.34 105.19 105.20 3kow n GLY 714 Ca 0.08 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 2.07 0.20 1.61 -7.23 -1.26 -4.76 120.40 109.03 3kow s VAL 715 Ca 0.00 -1.08 -0.16 0.00 -1.81 0.00 0.00 61.98 58.92 3kow s VAL 715 Cb 0.00 -1.73 0.20 0.00 0.56 0.00 0.00 36.38 35.41 3kow s VAL 715 CO 0.00 0.58 1.61 0.44 -0.31 0.00 0.00 175.10 177.41 3kow h ASP 716 N 5.77 -0.84 -4.94 4.85 3.32 -1.91 -3.34 116.42 119.32 3kow h ASP 716 Ca -0.37 0.21 -0.14 0.00 0.02 0.00 0.00 57.03 56.75 3kow h ASP 716 Cb 1.15 0.48 -0.21 0.00 0.22 0.00 0.00 39.33 40.97 3kow h ASP 716 CO 0.47 -0.26 -0.42 0.00 -1.72 0.00 0.00 179.24 177.31 3kow s ALA 717 N -6.14 -0.47 -0.06 3.45 0.00 -1.17 -4.85 121.76 112.51 3kow s ALA 717 Ca -0.14 0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.86 3kow s ALA 717 Cb 0.18 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.40 3kow s ALA 717 CO 0.72 -0.22 -0.10 0.20 0.00 0.00 0.00 175.76 176.36 3kow s GLY 718 N -1.32 0.72 -0.12 0.00 0.00 -1.26 -0.88 107.32 104.46 3kow s GLY 718 Ca -0.14 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.24 3kow s GLY 718 CO 0.02 0.24 -0.16 -1.36 0.00 0.00 0.00 173.10 171.85 3kow s PHE 719 N 0.80 2.75 0.00 1.90 0.08 -0.63 -3.78 117.98 119.09 3kow s PHE 719 Ca -0.12 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.17 3kow s PHE 719 Cb -0.15 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 3kow s PHE 719 CO 0.02 -0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.28 3kow n GLY 720 N 3.55 2.50 3.67 4.36 0.00 -1.26 -2.98 105.19 115.04 3kow n GLY 720 Ca -0.18 -2.08 -0.45 0.00 0.00 0.00 0.00 46.02 43.31 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 -0.36 2.08 -0.35 1.61 1.74 -1.26 -2.29 116.66 117.83 3kow n ARG 721 Ca 0.00 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 3kow n ARG 721 Cb 0.00 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 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 2.26 0.81 3.79 -0.13 0.00 -1.26 -5.06 105.19 105.60 3kow n GLY 722 Ca 0.12 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.11 6.04 0.15 1.61 0.01 -0.97 -5.06 113.70 113.36 3kow s SER 723 Ca 0.00 2.01 -0.00 0.00 1.31 0.00 0.00 55.95 59.26 3kow s SER 723 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 3kow s SER 723 CO 0.00 -1.00 0.05 -0.54 0.41 0.00 0.00 173.24 172.16 3kow s LYS 724 N -3.36 1.01 0.24 12.44 1.02 -1.26 -4.94 119.74 124.89 3kow s LYS 724 Ca 0.69 -1.49 -0.05 0.00 0.02 0.00 0.00 55.97 55.14 3kow s LYS 724 Cb -0.19 0.09 0.41 0.00 -0.52 0.00 0.00 37.83 37.62 3kow s LYS 724 CO 0.25 -0.23 1.74 0.78 -0.92 0.00 0.00 175.35 176.96 3kow h GLY 725 N 2.79 1.09 -0.33 -3.33 0.00 -1.64 -1.80 103.07 99.86 3kow h GLY 725 Ca -0.36 -0.16 0.29 0.00 0.00 0.00 0.00 47.33 47.10 3kow h GLY 725 CO 0.60 -0.06 0.61 1.19 0.00 0.00 0.00 176.54 178.88 3kow h ILE 726 N 0.47 0.43 -0.29 2.60 6.09 -1.85 0.15 117.51 125.10 3kow h ILE 726 Ca 0.39 -0.15 -0.11 0.00 -1.37 0.00 0.00 64.86 63.62 3kow h ILE 726 Cb 0.55 -0.05 -0.01 0.00 0.47 0.00 0.00 36.82 37.78 3kow h ILE 726 CO -0.37 0.08 -0.24 0.45 -3.07 0.00 0.00 178.15 175.01 3kow h HIS 727 N 0.44 0.80 0.00 2.19 3.86 -1.70 -2.10 115.15 118.64 3kow h HIS 727 Ca 0.68 -0.23 -0.11 0.00 -1.16 0.00 0.00 60.37 59.55 3kow h HIS 727 Cb 1.49 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.78 3kow h HIS 727 CO -0.01 0.95 -0.50 0.28 0.86 0.00 0.00 177.93 179.51 3kow h VAL 728 N 0.42 1.30 -0.00 2.45 2.07 -0.95 -2.58 116.25 118.96 3kow h VAL 728 Ca 0.05 -1.76 -0.16 0.00 0.82 0.00 0.00 66.70 65.65 3kow h VAL 728 Cb 0.80 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 3kow h VAL 728 CO 0.06 0.49 -0.75 0.00 0.02 0.00 0.00 177.57 177.39 3kow h ALA 729 N 1.50 0.75 0.36 1.67 0.00 -0.67 -1.09 119.26 121.77 3kow h ALA 729 Ca -0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 3kow h ALA 729 Cb 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kow h ALA 729 CO 0.07 0.92 -0.17 1.15 0.00 0.00 0.00 179.25 181.22 3kow h THR 730 N 0.02 0.00 -0.87 0.00 2.02 -1.35 -3.17 112.91 109.55 3kow h THR 730 Ca -0.01 -0.33 0.16 0.00 0.77 0.00 0.00 66.41 67.00 3kow h THR 730 Cb 1.33 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.58 3kow h THR 730 CO 0.10 0.00 -0.30 0.15 0.37 0.00 0.00 175.52 175.84 3kow h PHE 731 N -0.81 -0.75 -0.82 3.16 3.57 -1.47 0.41 116.94 120.23 3kow h PHE 731 Ca -0.05 0.09 0.08 0.00 3.53 0.00 0.00 57.97 61.62 3kow h PHE 731 Cb 0.37 0.46 -0.07 0.00 2.79 0.00 0.00 35.95 39.50 3kow h PHE 731 CO 0.04 -0.39 0.49 -0.07 -2.23 0.00 0.00 178.31 176.14 3kow h LEU 732 N -0.03 0.73 -0.29 0.59 3.38 -1.32 -0.91 115.31 117.45 3kow h LEU 732 Ca 0.37 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3kow h LEU 732 Cb 0.62 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3kow h LEU 732 CO -0.90 0.44 -0.09 1.33 0.09 0.00 0.00 178.44 179.31 3kow n VAL 733 N -4.70 0.00 -0.06 1.22 0.24 -0.02 -2.72 118.33 112.29 3kow n VAL 733 Ca 0.13 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.34 62.32 3kow n VAL 733 Cb 0.23 -0.06 -0.02 0.00 -1.47 0.00 0.00 33.84 32.51 3kow n VAL 733 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3kow h LYS 734 N 0.71 0.00 -0.34 7.34 1.57 0.28 -3.25 116.57 122.89 3kow h LYS 734 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3kow h LYS 734 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3kow h LYS 734 CO 0.00 0.14 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.54 3kow h LYS 735 N -1.00 0.77 -0.91 3.15 1.63 -1.59 0.09 116.57 118.71 3kow h LYS 735 Ca -0.01 -0.38 0.09 0.00 -0.85 0.00 0.00 60.65 59.49 3kow h LYS 735 Cb 0.24 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.81 3kow h LYS 735 CO -0.01 1.01 0.59 -0.09 -3.45 0.00 0.00 179.45 177.50 3kow h ARG 736 N 0.55 0.93 0.45 1.90 2.43 -1.72 0.26 114.38 119.17 3kow h ARG 736 Ca 0.06 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3kow h ARG 736 Cb 0.83 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3kow h ARG 736 CO 0.07 0.62 -0.21 0.00 -1.51 0.00 0.00 179.97 178.93 3kow h ARG 737 N 0.96 -0.58 0.00 0.20 3.08 -1.55 -3.31 114.38 113.18 3kow h ARG 737 Ca 0.41 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3kow h ARG 737 Cb 0.33 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3kow h ARG 737 CO -0.17 -0.30 0.00 -1.91 -1.07 0.00 0.00 179.97 176.51 3kow n GLU 738 N -5.28 0.00 0.00 0.04 2.13 0.01 -5.10 120.64 112.43 3kow n GLU 738 Ca -0.11 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.30 3kow n GLU 738 Cb 0.29 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 31.00 3kow n GLU 738 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39