#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wof s VAL 8 N 0.00 0.13 0.06 2.03 1.01 0.14 -4.80 120.40 118.97 2wof s VAL 8 Ca 0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 2wof s VAL 8 Cb 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 2wof s VAL 8 CO 0.00 -0.57 0.80 -2.16 0.00 0.00 0.00 175.10 173.17 2wof s PRO 9 N -3.67 4.54 0.04 2.72 0.04 -1.26 0.17 135.00 137.58 2wof s PRO 9 Ca 0.03 1.14 -0.32 0.00 0.04 0.00 0.00 61.00 61.90 2wof s PRO 9 Cb 0.04 -3.36 -0.18 0.00 0.04 0.00 0.00 34.50 31.03 2wof s PRO 9 CO -0.10 0.27 1.39 1.98 0.04 0.00 0.00 177.00 180.58 2wof h MET 10 N 5.62 -0.99 -0.50 4.56 4.05 -1.46 -2.42 114.93 123.80 2wof h MET 10 Ca -0.44 0.07 0.05 0.00 -0.28 0.00 0.00 59.70 59.10 2wof h MET 10 Cb 1.21 0.22 -0.05 0.00 -0.80 0.00 0.00 31.60 32.18 2wof h MET 10 CO 0.71 -0.64 0.22 -0.44 0.23 0.00 0.00 176.91 176.99 2wof h ASP 11 N -1.16 0.29 0.12 1.39 3.32 -1.94 0.23 116.42 118.68 2wof h ASP 11 Ca -0.10 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2wof h ASP 11 Cb 0.80 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2wof h ASP 11 CO 0.17 0.20 -0.06 0.50 -1.72 0.00 0.00 179.24 178.33 2wof h LYS 12 N 0.44 -0.16 -0.07 3.56 3.64 -1.95 -1.18 116.57 120.84 2wof h LYS 12 Ca 0.23 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 2wof h LYS 12 Cb 0.18 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2wof h LYS 12 CO -0.19 0.06 -0.07 1.15 -2.27 0.00 0.00 179.45 178.13 2wof h THR 13 N -0.36 0.80 -0.82 1.00 2.02 -1.12 -1.37 112.91 113.05 2wof h THR 13 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 2wof h THR 13 Cb 0.29 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 2wof h THR 13 CO 0.03 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.39 2wof h LEU 14 N -0.09 0.92 -0.23 2.58 -0.00 -0.53 -1.10 115.31 116.87 2wof h LEU 14 Ca 0.05 -0.02 -0.17 0.00 -0.00 0.00 0.00 57.88 57.75 2wof h LEU 14 Cb 0.17 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 2wof h LEU 14 CO -0.12 0.66 -0.80 0.11 -0.00 0.00 0.00 178.44 178.29 2wof h LYS 15 N 1.09 0.00 0.00 1.13 1.57 -1.05 -1.82 116.57 117.49 2wof h LYS 15 Ca 0.31 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.02 2wof h LYS 15 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2wof h LYS 15 CO -0.08 0.80 -0.31 0.93 -0.57 0.00 0.00 179.45 180.22 2wof h GLU 16 N 0.00 0.00 0.00 3.15 5.08 -0.99 -2.73 114.58 119.09 2wof h GLU 16 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wof h GLU 16 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 2wof h GLU 16 CO 0.10 0.31 0.00 0.35 -1.00 0.00 0.00 179.01 178.77 2wof h PHE 17 N 0.00 0.00 0.00 4.33 3.57 -0.41 -3.47 116.94 120.95 2wof h PHE 17 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wof h PHE 17 Cb 0.72 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2wof h PHE 17 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 2wof n GLY 18 N 0.74 0.93 3.88 2.40 0.00 -0.88 -5.09 105.19 107.18 2wof n GLY 18 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2wof n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wof s ALA 19 N -2.00 3.71 -0.03 4.61 0.00 -0.78 -4.86 121.76 122.41 2wof s ALA 19 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 51.96 51.29 2wof s ALA 19 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 2wof s ALA 19 CO 0.00 0.60 0.71 0.34 0.00 0.00 0.00 175.76 177.41 2wof s ASP 20 N -2.23 7.05 -0.21 0.00 2.15 0.11 -4.31 116.67 119.24 2wof s ASP 20 Ca 0.40 1.26 -0.03 0.00 0.43 0.00 0.00 52.55 54.62 2wof s ASP 20 Cb -0.12 -2.42 -0.01 0.00 -0.30 0.00 0.00 42.92 40.06 2wof s ASP 20 CO 0.22 -0.06 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.41 2wof s VAL 21 N 0.46 3.31 -0.04 1.11 1.01 -1.26 -1.28 120.40 123.71 2wof s VAL 21 Ca 0.37 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.90 2wof s VAL 21 Cb -0.19 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2wof s VAL 21 CO 0.19 0.44 -0.25 -1.10 0.00 0.00 0.00 175.10 174.39 2wof s GLN 22 N 1.30 2.37 -0.11 2.72 -0.21 0.43 -5.01 119.66 121.15 2wof s GLN 22 Ca 0.04 -0.90 0.02 0.00 0.02 0.00 0.00 55.36 54.53 2wof s GLN 22 Cb -0.14 -2.13 -0.01 0.00 1.00 0.00 0.00 33.01 31.73 2wof s GLN 22 CO -0.02 0.47 -0.17 -0.46 -2.12 0.00 0.00 175.29 172.99 2wof s TRP 23 N -0.39 2.70 -0.31 0.91 -0.11 -1.26 -0.95 118.94 119.54 2wof s TRP 23 Ca 0.03 -0.68 -0.01 0.00 1.22 0.00 0.00 56.10 56.67 2wof s TRP 23 Cb -0.12 -1.76 0.06 0.00 -1.50 0.00 0.00 33.47 30.15 2wof s TRP 23 CO 0.01 -0.20 0.01 0.34 -4.62 0.00 0.00 176.95 172.48 2wof s ASP 24 N 0.15 4.87 0.31 5.86 -1.08 0.47 -4.98 116.67 122.27 2wof s ASP 24 Ca -0.09 -1.38 0.10 0.00 -0.52 0.00 0.00 52.55 50.66 2wof s ASP 24 Cb -0.15 -1.70 0.50 0.00 -1.46 0.00 0.00 42.92 40.11 2wof s ASP 24 CO 0.06 -0.28 1.70 -0.78 0.52 0.00 0.00 175.17 176.39 2wof h ASP 25 N 7.96 0.06 -0.41 -0.34 3.58 -1.96 0.39 116.42 125.69 2wof h ASP 25 Ca -0.20 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.18 2wof h ASP 25 Cb 1.06 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 2wof h ASP 25 CO 0.54 0.54 0.08 0.22 -2.88 0.00 0.00 179.24 177.74 2wof h TYR 26 N 0.04 0.71 -0.00 0.28 3.20 -1.96 -3.12 116.97 116.12 2wof h TYR 26 Ca -0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2wof h TYR 26 Cb 0.89 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2wof h TYR 26 CO 0.00 0.69 -0.62 0.00 -1.64 0.00 0.00 178.16 176.59 2wof n ALA 27 N -2.36 3.85 -3.63 1.82 0.00 -1.15 -4.96 120.51 114.07 2wof n ALA 27 Ca -0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.79 2wof n ALA 27 Cb 0.22 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.70 2wof n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wof n GLN 28 N -1.39 -4.52 -4.11 0.00 1.13 0.13 -4.99 117.38 103.62 2wof n GLN 28 Ca 0.06 0.65 -0.18 0.00 -1.94 0.00 0.00 57.00 55.58 2wof n GLN 28 Cb 0.34 -5.21 -0.16 0.00 0.11 0.00 0.00 30.24 25.32 2wof n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2wof s LEU 29 N -6.51 1.44 -0.03 1.08 2.96 -0.72 -4.23 118.68 112.66 2wof s LEU 29 Ca 0.08 -0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 53.72 2wof s LEU 29 Cb -0.02 -0.36 -0.05 0.00 0.50 0.00 0.00 46.19 46.26 2wof s LEU 29 CO 0.80 -0.04 0.49 -0.36 -1.32 0.00 0.00 176.35 175.93 2wof s PHE 30 N 0.71 3.65 -0.18 5.38 0.08 -0.24 -0.39 117.98 126.98 2wof s PHE 30 Ca -0.09 1.03 0.01 0.00 0.12 0.00 0.00 56.93 58.01 2wof s PHE 30 Cb -0.12 -2.48 0.02 0.00 -0.57 0.00 0.00 43.02 39.88 2wof s PHE 30 CO -0.00 0.40 -0.19 0.99 -0.10 0.00 0.00 175.22 176.32 2wof s THR 31 N -0.27 2.02 -0.11 0.64 2.01 -0.12 -1.10 115.64 118.70 2wof s THR 31 Ca 0.27 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.35 2wof s THR 31 Cb -0.17 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 2wof s THR 31 CO 0.14 0.52 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.67 2wof s LEU 32 N 1.30 2.53 -0.05 4.42 1.02 0.04 -0.43 118.68 127.52 2wof s LEU 32 Ca 0.05 -0.39 -0.00 0.00 0.02 0.00 0.00 54.13 53.81 2wof s LEU 32 Cb -0.13 -1.55 0.03 0.00 0.02 0.00 0.00 46.19 44.56 2wof s LEU 32 CO -0.13 0.18 -0.02 -0.63 0.02 0.00 0.00 176.35 175.77 2wof s ILE 33 N 0.27 0.42 -0.17 -0.59 1.01 -0.40 -0.84 121.20 120.90 2wof s ILE 33 Ca -0.12 0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2wof s ILE 33 Cb -0.16 -0.51 0.08 0.00 0.01 0.00 0.00 42.46 41.88 2wof s ILE 33 CO 0.06 0.23 0.32 -0.75 0.00 0.00 0.00 174.94 174.80 2wof s LYS 34 N 1.37 0.22 4.57 2.79 2.20 -0.78 0.09 119.74 130.20 2wof s LYS 34 Ca -0.04 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 2wof s LYS 34 Cb -0.13 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 2wof s LYS 34 CO -0.02 -0.33 0.00 -0.25 -0.36 0.00 0.00 175.35 174.39 2wof n ASP 35 N 5.36 0.00 -0.03 1.43 8.00 -1.26 -1.03 116.55 129.02 2wof n ASP 35 Ca -0.07 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.57 2wof n ASP 35 Cb 0.50 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 42.05 2wof n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wof n GLY 36 N 0.00 -1.25 3.69 0.44 0.00 -1.26 -4.81 105.19 101.99 2wof n GLY 36 Ca 0.00 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2wof n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wof s ALA 37 N -2.88 3.41 -0.28 4.61 0.00 -0.20 -4.55 121.76 121.87 2wof s ALA 37 Ca 0.16 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2wof s ALA 37 Cb 0.19 -3.13 0.08 0.00 0.00 0.00 0.00 23.12 20.25 2wof s ALA 37 CO 0.59 -0.40 0.01 -0.47 0.00 0.00 0.00 175.76 175.49 2wof s TYR 38 N 1.53 2.67 -0.09 0.00 6.14 -1.26 -1.86 117.35 124.47 2wof s TYR 38 Ca 0.39 -2.14 0.01 0.00 0.64 0.00 0.00 57.07 55.97 2wof s TYR 38 Cb -0.17 -2.01 -0.03 0.00 0.42 0.00 0.00 41.96 40.17 2wof s TYR 38 CO 0.16 -0.85 -0.10 0.08 0.64 0.00 0.00 175.55 175.48 2wof s VAL 39 N 1.29 3.43 -0.09 3.14 1.01 -0.02 -1.01 120.40 128.15 2wof s VAL 39 Ca 0.02 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2wof s VAL 39 Cb -0.19 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 2wof s VAL 39 CO -0.11 0.56 -0.23 -0.54 0.00 0.00 0.00 175.10 174.78 2wof s LYS 40 N -0.35 2.92 -0.10 2.72 1.02 -0.04 -0.78 119.74 125.13 2wof s LYS 40 Ca 0.04 -0.85 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 2wof s LYS 40 Cb -0.12 -2.23 0.05 0.00 -0.52 0.00 0.00 37.83 35.00 2wof s LYS 40 CO 0.02 0.19 0.22 0.54 -0.92 0.00 0.00 175.35 175.40 2wof s VAL 41 N 0.32 -0.16 -0.05 3.17 0.11 -0.26 -1.05 120.40 122.49 2wof s VAL 41 Ca -0.17 0.21 -0.17 0.00 -2.93 0.00 0.00 61.98 58.92 2wof s VAL 41 Cb -0.17 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 2wof s VAL 41 CO 0.08 0.09 0.45 -0.54 -3.33 0.00 0.00 175.10 171.85 2wof s LYS 42 N 1.64 4.15 0.25 1.54 1.02 -1.26 -1.08 119.74 125.99 2wof s LYS 42 Ca -0.05 0.45 -0.31 0.00 0.02 0.00 0.00 55.97 56.08 2wof s LYS 42 Cb -0.11 -3.32 -0.14 0.00 -0.52 0.00 0.00 37.83 33.74 2wof s LYS 42 CO -0.08 0.44 1.32 -2.30 -0.92 0.00 0.00 175.35 173.81 2wof n PRO 43 N 2.67 1.86 -0.39 -1.68 -0.02 -1.26 -1.76 135.00 134.42 2wof n PRO 43 Ca -0.10 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2wof n PRO 43 Cb 0.52 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2wof n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wof n GLY 44 N 1.86 2.06 3.78 -1.23 0.00 0.05 -4.97 105.19 106.73 2wof n GLY 44 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2wof n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wof s ALA 45 N -3.34 3.24 -1.02 4.61 0.00 -0.72 -4.93 121.76 119.60 2wof s ALA 45 Ca 0.00 0.49 0.25 0.00 0.00 0.00 0.00 51.96 52.70 2wof s ALA 45 Cb 0.00 -3.14 1.07 0.00 0.00 0.00 0.00 23.12 21.05 2wof s ALA 45 CO 0.00 0.19 1.80 1.04 0.00 0.00 0.00 175.76 178.79 2wof n GLN 46 N 0.62 0.02 -4.16 0.00 6.02 -1.26 -4.46 117.38 114.16 2wof n GLN 46 Ca 0.01 0.07 -0.10 0.00 -0.01 0.00 0.00 57.00 56.97 2wof n GLN 46 Cb 0.50 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.16 2wof n GLN 46 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2wof s THR 47 N -2.98 0.18 0.33 5.09 -4.23 -1.26 -1.25 115.64 111.52 2wof s THR 47 Ca 0.13 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 2wof s THR 47 Cb 0.16 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 2wof s THR 47 CO 0.45 -0.50 0.12 0.00 -0.54 0.00 0.00 174.62 174.15 2wof s ALA 48 N -3.99 2.24 -0.09 3.99 0.00 0.31 -4.66 121.76 119.55 2wof s ALA 48 Ca 0.23 -1.70 0.04 0.00 0.00 0.00 0.00 51.96 50.54 2wof s ALA 48 Cb 0.07 0.95 -0.00 0.00 0.00 0.00 0.00 23.12 24.14 2wof s ALA 48 CO 0.01 -0.42 -0.24 0.42 0.00 0.00 0.00 175.76 175.53 2wof s ILE 49 N -3.47 2.09 -0.17 0.00 -1.09 -0.21 -0.67 121.20 117.67 2wof s ILE 49 Ca 0.33 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.74 2wof s ILE 49 Cb 0.05 -1.79 0.02 0.00 -1.58 0.00 0.00 42.46 39.17 2wof s ILE 49 CO 0.16 0.56 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.56 2wof s VAL 50 N 0.25 1.92 -1.40 2.92 1.01 -0.08 -0.86 120.40 124.16 2wof s VAL 50 Ca -0.16 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 2wof s VAL 50 Cb -0.17 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.46 2wof s VAL 50 CO 0.08 0.51 0.33 0.59 0.00 0.00 0.00 175.10 176.61 2wof n ASN 51 N 4.66 -1.13 0.00 3.32 4.13 -0.18 -0.74 115.26 125.33 2wof n ASN 51 Ca -0.20 -1.20 0.00 0.00 1.68 0.00 0.00 54.58 54.86 2wof n ASN 51 Cb 0.50 -2.12 0.00 0.00 -1.54 0.00 0.00 39.78 36.62 2wof n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wof n GLY 52 N -2.25 2.10 3.46 7.41 0.00 -1.17 -4.54 105.19 110.21 2wof n GLY 52 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 2wof n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wof s GLN 53 N -0.00 2.60 0.41 1.61 -1.52 0.08 -5.06 119.66 117.78 2wof s GLN 53 Ca 0.00 -0.70 -0.26 0.00 -1.95 0.00 0.00 55.36 52.45 2wof s GLN 53 Cb 0.00 -2.40 -0.09 0.00 -0.22 0.00 0.00 33.01 30.30 2wof s GLN 53 CO 0.00 0.57 1.34 -2.14 -0.25 0.00 0.00 175.29 174.81 2wof s PRO 54 N -0.59 3.93 -0.04 2.91 0.02 -1.26 -0.90 135.00 139.06 2wof s PRO 54 Ca 0.09 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 2wof s PRO 54 Cb -0.11 -2.76 0.03 0.00 0.02 0.00 0.00 34.50 31.67 2wof s PRO 54 CO 0.01 -0.56 0.04 -1.17 -0.33 0.00 0.00 177.00 175.00 2wof s LEU 55 N -2.44 0.41 0.30 -5.54 2.96 0.15 -4.87 118.68 109.64 2wof s LEU 55 Ca 0.57 0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 54.23 2wof s LEU 55 Cb -0.40 -0.18 -0.10 0.00 0.50 0.00 0.00 46.19 46.01 2wof s LEU 55 CO 0.52 -0.21 1.24 0.00 -1.32 0.00 0.00 176.35 176.57 2wof s ALA 56 N 1.91 3.47 0.00 5.97 0.00 -1.26 -0.53 121.76 131.32 2wof s ALA 56 Ca 0.02 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.13 2wof s ALA 56 Cb -0.12 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2wof s ALA 56 CO -0.03 -0.47 -0.05 -0.51 0.00 0.00 0.00 175.76 174.70 2wof s LEU 57 N -1.44 3.25 0.05 0.00 1.43 -0.38 -4.91 118.68 116.68 2wof s LEU 57 Ca 0.49 -0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 53.27 2wof s LEU 57 Cb -0.37 -1.86 -0.13 0.00 0.03 0.00 0.00 46.19 43.86 2wof s LEU 57 CO 0.47 0.28 1.37 1.56 0.23 0.00 0.00 176.35 180.26 2wof h GLN 58 N 4.48 0.39 -4.33 1.70 4.20 -1.96 -3.44 115.11 116.16 2wof h GLN 58 Ca -0.49 -0.20 -0.55 0.00 0.06 0.00 0.00 58.65 57.47 2wof h GLN 58 Cb 1.17 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.58 2wof h GLN 58 CO 0.54 0.74 -0.81 0.08 -0.67 0.00 0.00 178.83 178.72 2wof s VAL 59 N -4.40 1.20 0.76 -0.54 1.01 -1.26 -5.13 120.40 112.04 2wof s VAL 59 Ca -0.14 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2wof s VAL 59 Cb 0.06 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2wof s VAL 59 CO 0.76 0.33 0.94 -2.65 0.00 0.00 0.00 175.10 174.47 2wof n PRO 60 N 4.88 0.35 -2.14 2.72 -0.02 -1.26 -4.75 135.00 134.79 2wof n PRO 60 Ca -0.13 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 2wof n PRO 60 Cb 0.49 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 2wof n PRO 60 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wof s VAL 61 N -1.94 3.23 -0.08 -1.45 1.01 -1.26 -4.75 120.40 115.16 2wof s VAL 61 Ca 0.71 0.87 0.02 0.00 0.00 0.00 0.00 61.98 63.58 2wof s VAL 61 Cb -0.32 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2wof s VAL 61 CO 0.52 0.06 -0.11 0.68 0.00 0.00 0.00 175.10 176.25 2wof s VAL 62 N 1.22 3.29 -0.36 2.92 -7.23 -0.65 -0.77 120.40 118.81 2wof s VAL 62 Ca 0.65 -0.62 -0.20 0.00 -1.81 0.00 0.00 61.98 60.01 2wof s VAL 62 Cb -0.37 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2wof s VAL 62 CO 0.30 0.57 0.60 -0.04 -0.31 0.00 0.00 175.10 176.22 2wof s MET 63 N -0.45 3.62 -0.21 4.82 -1.94 -1.26 0.26 119.30 124.14 2wof s MET 63 Ca 0.06 -0.06 0.01 0.00 -1.71 0.00 0.00 55.69 54.00 2wof s MET 63 Cb -0.12 -3.82 0.04 0.00 2.01 0.00 0.00 34.83 32.93 2wof s MET 63 CO 0.02 -0.74 -0.14 0.15 -0.01 0.00 0.00 175.02 174.31 2wof s LYS 64 N 2.62 2.38 -1.14 2.03 1.02 0.33 -4.75 119.74 122.23 2wof s LYS 64 Ca 0.22 -0.96 -0.01 0.00 0.02 0.00 0.00 55.97 55.25 2wof s LYS 64 Cb -0.15 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2wof s LYS 64 CO 0.15 -0.39 0.96 -3.47 -0.92 0.00 0.00 175.35 171.67 2wof n ASP 65 N 4.60 -2.55 -1.38 2.83 2.03 -1.26 -1.60 116.55 119.21 2wof n ASP 65 Ca -0.16 -0.57 -0.12 0.00 0.52 0.00 0.00 54.79 54.46 2wof n ASP 65 Cb 0.47 -4.82 -0.05 0.00 -0.72 0.00 0.00 41.12 36.00 2wof n ASP 65 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2wof n ASN 66 N -2.96 -3.13 -4.50 1.67 3.02 -1.26 -4.98 115.26 103.13 2wof n ASN 66 Ca -0.24 0.29 -0.24 0.00 -0.03 0.00 0.00 54.58 54.36 2wof n ASN 66 Cb 0.65 -2.97 -0.10 0.00 -0.61 0.00 0.00 39.78 36.75 2wof n ASN 66 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wof s LYS 67 N -3.07 1.78 -0.02 3.52 1.02 -0.63 -5.13 119.74 117.21 2wof s LYS 67 Ca 0.00 -1.64 -0.01 0.00 0.02 0.00 0.00 55.97 54.33 2wof s LYS 67 Cb 0.00 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 2wof s LYS 67 CO 0.00 0.35 0.09 0.00 -0.92 0.00 0.00 175.35 174.88 2wof s ALA 68 N -2.30 3.64 0.00 5.17 0.00 -1.26 0.12 121.76 127.13 2wof s ALA 68 Ca 0.29 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.47 2wof s ALA 68 Cb -0.06 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 2wof s ALA 68 CO 0.15 0.69 -0.18 -1.58 0.00 0.00 0.00 175.76 174.84 2wof s TRP 69 N -1.18 1.61 0.13 0.00 0.52 0.14 -1.17 118.94 118.99 2wof s TRP 69 Ca 0.22 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 56.10 2wof s TRP 69 Cb -0.12 -1.01 -0.04 0.00 -1.15 0.00 0.00 33.47 31.15 2wof s TRP 69 CO 0.13 0.00 -0.20 0.14 0.02 0.00 0.00 176.95 177.05 2wof s VAL 70 N -0.53 1.74 0.45 4.03 -7.23 0.13 -1.64 120.40 117.34 2wof s VAL 70 Ca 0.07 -1.69 -0.21 0.00 -1.81 0.00 0.00 61.98 58.33 2wof s VAL 70 Cb -0.07 -1.66 -0.12 0.00 0.56 0.00 0.00 36.38 35.09 2wof s VAL 70 CO -0.00 -0.17 0.54 -0.24 -0.31 0.00 0.00 175.10 174.93 2wof n SER 71 N 0.77 -0.90 0.06 4.85 2.88 -1.26 0.26 113.62 120.28 2wof n SER 71 Ca -0.17 0.87 0.06 0.00 -1.33 0.00 0.00 58.87 58.31 2wof n SER 71 Cb 0.55 -1.13 0.30 0.00 -0.75 0.00 0.00 64.21 63.18 2wof n SER 71 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wof n ASP 72 N 1.13 0.24 -0.90 -3.46 5.75 -1.26 -2.25 116.55 115.81 2wof n ASP 72 Ca 0.11 0.58 0.09 0.00 -0.01 0.00 0.00 54.79 55.57 2wof n ASP 72 Cb 0.41 -0.63 0.18 0.00 -1.03 0.00 0.00 41.12 40.05 2wof n ASP 72 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2wof n THR 73 N -1.79 0.60 -0.01 2.12 5.66 -1.26 -4.75 114.28 114.85 2wof n THR 73 Ca 0.01 -0.80 -0.13 0.00 -3.05 0.00 0.00 64.05 60.08 2wof n THR 73 Cb 0.10 0.85 -0.10 0.00 -1.55 0.00 0.00 70.33 69.63 2wof n THR 73 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 2wof h PHE 74 N 3.34 0.01 0.27 1.09 3.57 -1.80 -0.36 116.94 123.05 2wof h PHE 74 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2wof h PHE 74 Cb 0.82 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 2wof h PHE 74 CO 0.22 0.45 -0.36 0.82 -2.23 0.00 0.00 178.31 177.21 2wof h ILE 75 N -0.44 0.25 -0.19 1.41 2.04 -1.85 0.82 117.51 119.56 2wof h ILE 75 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2wof h ILE 75 Cb 0.45 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 2wof h ILE 75 CO 0.00 0.00 -0.12 -1.13 0.00 0.00 0.00 178.15 176.90 2wof h ASN 76 N -0.69 -0.40 -0.93 1.72 -0.73 -1.90 0.19 115.58 112.85 2wof h ASN 76 Ca -0.01 0.09 0.03 0.00 1.87 0.00 0.00 56.30 58.28 2wof h ASN 76 Cb 0.65 0.21 -0.05 0.00 0.27 0.00 0.00 38.32 39.40 2wof h ASN 76 CO -0.12 -0.16 0.61 0.44 -0.37 0.00 0.00 177.43 177.83 2wof h ASP 77 N -0.12 1.02 0.00 1.15 3.32 -0.62 -1.98 116.42 119.19 2wof h ASP 77 Ca 0.11 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 2wof h ASP 77 Cb 0.28 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2wof h ASP 77 CO -0.26 0.71 -0.91 0.58 -1.72 0.00 0.00 179.24 177.63 2wof h VAL 78 N 1.19 0.86 0.00 -1.35 2.07 -0.54 -3.20 116.25 115.27 2wof h VAL 78 Ca 0.36 -1.97 -0.17 0.00 0.82 0.00 0.00 66.70 65.74 2wof h VAL 78 Cb -0.02 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2wof h VAL 78 CO -0.10 0.29 -0.82 -0.26 0.02 0.00 0.00 177.57 176.70 2wof h PHE 79 N -1.00 0.00 -0.42 1.57 0.04 -0.71 -3.07 116.94 113.35 2wof h PHE 79 Ca -0.23 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.50 2wof h PHE 79 Cb 1.08 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 2wof h PHE 79 CO 0.07 0.82 0.03 1.04 -0.60 0.00 0.00 178.31 179.67 2wof n GLN 80 N -3.37 3.56 0.27 1.51 3.00 -0.75 -4.64 117.38 116.95 2wof n GLN 80 Ca 0.00 -3.00 0.15 0.00 -0.01 0.00 0.00 57.00 54.15 2wof n GLN 80 Cb 0.84 -2.02 0.73 0.00 0.00 0.00 0.00 30.24 29.79 2wof n GLN 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2wof h SER 81 N 2.52 0.00 0.00 1.08 4.64 -1.53 -3.46 113.55 116.79 2wof h SER 81 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2wof h SER 81 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 2wof h SER 81 CO 0.38 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 2wof n GLY 82 N -0.35 0.88 0.18 -0.77 0.00 -1.26 -4.94 105.19 98.92 2wof n GLY 82 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2wof n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wof h LEU 83 N 0.00 0.00 -8.74 0.99 3.38 -1.89 -3.38 115.31 105.67 2wof h LEU 83 Ca 0.00 -0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 2wof h LEU 83 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 2wof h LEU 83 CO 0.00 0.00 0.65 -0.62 0.09 0.00 0.00 178.44 178.56 2wof s ASP 84 N -5.83 6.59 -0.13 -0.43 2.15 -1.26 -4.69 116.67 113.07 2wof s ASP 84 Ca 0.05 0.35 0.18 0.00 0.43 0.00 0.00 52.55 53.56 2wof s ASP 84 Cb 0.07 -2.47 0.71 0.00 -0.30 0.00 0.00 42.92 40.93 2wof s ASP 84 CO 0.70 -1.01 1.63 0.00 -0.17 0.00 0.00 175.17 176.32 2wof n GLN 85 N 7.14 3.82 -0.16 4.34 6.02 -1.26 -4.48 117.38 132.80 2wof n GLN 85 Ca 0.08 -2.90 -0.06 0.00 -0.01 0.00 0.00 57.00 54.11 2wof n GLN 85 Cb 0.48 -1.92 0.03 0.00 1.02 0.00 0.00 30.24 29.86 2wof n GLN 85 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2wof h THR 86 N 3.91 1.02 -3.43 5.09 2.02 -1.90 -3.41 112.91 116.21 2wof h THR 86 Ca 0.00 -0.18 -0.64 0.00 0.77 0.00 0.00 66.41 66.36 2wof h THR 86 Cb 1.50 0.44 -0.22 0.00 -1.74 0.00 0.00 68.15 68.13 2wof h THR 86 CO 0.26 0.10 -0.64 -0.36 0.37 0.00 0.00 175.52 175.24 2wof s PHE 87 N -6.14 3.07 0.20 3.16 0.40 -1.26 -0.19 117.98 117.22 2wof s PHE 87 Ca -0.13 -0.36 0.11 0.00 -0.60 0.00 0.00 56.93 55.95 2wof s PHE 87 Cb 0.13 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 2wof s PHE 87 CO 0.73 -0.18 -0.18 -0.65 0.70 0.00 0.00 175.22 175.64 2wof s GLN 88 N 0.94 1.75 0.30 0.44 -1.52 -0.86 -4.95 119.66 115.76 2wof s GLN 88 Ca 0.02 -1.47 -0.28 0.00 -1.95 0.00 0.00 55.36 51.68 2wof s GLN 88 Cb -0.14 -1.95 -0.09 0.00 -0.22 0.00 0.00 33.01 30.60 2wof s GLN 88 CO 0.02 0.40 1.06 0.14 -0.25 0.00 0.00 175.29 176.66 2wof s VAL 89 N -1.81 3.66 -0.38 1.09 -7.23 -1.26 -3.13 120.40 111.34 2wof s VAL 89 Ca 0.24 1.58 -0.14 0.00 -1.81 0.00 0.00 61.98 61.85 2wof s VAL 89 Cb -0.08 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 32.89 2wof s VAL 89 CO 0.13 0.31 0.27 -0.70 -0.31 0.00 0.00 175.10 174.80 2wof s GLU 90 N -1.61 3.22 0.07 4.82 2.12 -1.26 -4.78 118.70 121.28 2wof s GLU 90 Ca 0.46 -0.84 0.17 0.00 0.36 0.00 0.00 54.97 55.13 2wof s GLU 90 Cb -0.29 -3.89 -0.13 0.00 0.26 0.00 0.00 34.13 30.08 2wof s GLU 90 CO 0.36 -0.60 0.82 1.63 -0.54 0.00 0.00 175.26 176.93 2wof n LYS 91 N 5.13 0.62 -3.89 4.30 5.02 -1.26 -4.58 118.16 123.50 2wof n LYS 91 Ca -0.12 0.20 -0.30 0.00 -2.02 0.00 0.00 58.31 56.08 2wof n LYS 91 Cb 0.48 -1.80 -0.15 0.00 -0.02 0.00 0.00 35.03 33.54 2wof n LYS 91 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wof s ARG 92 N -2.96 1.31 0.20 1.97 0.52 -1.26 -5.11 118.95 113.62 2wof s ARG 92 Ca -0.03 -1.12 -0.31 0.00 -0.52 0.00 0.00 55.73 53.75 2wof s ARG 92 Cb 0.09 -2.52 -0.11 0.00 0.52 0.00 0.00 34.95 32.93 2wof s ARG 92 CO 0.81 -0.75 1.59 -1.25 0.02 0.00 0.00 175.30 175.72 2wof s PRO 93 N 1.40 4.19 0.43 3.54 0.04 -1.26 -4.97 135.00 138.36 2wof s PRO 93 Ca 0.01 2.44 -0.26 0.00 0.04 0.00 0.00 61.00 63.24 2wof s PRO 93 Cb -0.18 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.16 2wof s PRO 93 CO -0.11 -0.62 1.34 -1.58 0.04 0.00 0.00 177.00 176.07 2wof s HIS 94 N 0.87 2.68 -0.81 0.56 2.46 -1.26 -4.91 115.29 114.89 2wof s HIS 94 Ca 0.69 1.36 0.22 0.00 0.47 0.00 0.00 55.06 57.81 2wof s HIS 94 Cb -0.46 -3.75 0.89 0.00 -0.13 0.00 0.00 32.58 29.14 2wof s HIS 94 CO 0.35 -2.38 1.70 -0.35 -2.47 0.00 0.00 174.74 171.58 2wof n PRO 95 N -0.03 0.10 -0.04 2.88 -0.04 -1.26 -2.38 135.00 134.23 2wof n PRO 95 Ca 0.04 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 2wof n PRO 95 Cb 0.43 -1.66 0.34 0.00 -0.04 0.00 0.00 33.50 32.57 2wof n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wof n LEU 96 N -1.85 2.20 -4.59 1.53 4.77 -1.26 -4.65 117.00 113.16 2wof n LEU 96 Ca 0.04 -0.81 -0.51 0.00 -0.03 0.00 0.00 56.01 54.70 2wof n LEU 96 Cb 0.27 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 2wof n LEU 96 CO 0.21 0.40 0.87 0.59 -1.33 0.00 0.00 177.39 178.14 2wof n ASN 97 N 0.70 1.61 -4.74 -1.43 4.13 -1.00 -4.90 115.26 109.63 2wof n ASN 97 Ca 0.17 1.12 -0.33 0.00 1.68 0.00 0.00 54.58 57.22 2wof n ASN 97 Cb 0.45 -1.20 0.08 0.00 -1.54 0.00 0.00 39.78 37.57 2wof n ASN 97 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wof s ALA 98 N 0.36 2.22 0.15 5.41 0.00 -1.26 -4.90 121.76 123.75 2wof s ALA 98 Ca 0.82 0.67 -0.34 0.00 0.00 0.00 0.00 51.96 53.11 2wof s ALA 98 Cb -0.93 -3.39 -0.16 0.00 0.00 0.00 0.00 23.12 18.64 2wof s ALA 98 CO 0.48 -1.69 1.15 1.28 0.00 0.00 0.00 175.76 176.98 2wof n LEU 99 N -2.78 1.33 -4.93 0.00 4.77 -1.26 -4.97 117.00 109.17 2wof n LEU 99 Ca 0.12 1.14 -0.26 0.00 -0.03 0.00 0.00 56.01 56.98 2wof n LEU 99 Cb 0.51 -1.18 0.07 0.00 -2.33 0.00 0.00 43.42 40.49 2wof n LEU 99 CO 0.48 -1.38 0.63 0.42 -1.33 0.00 0.00 177.39 176.22 2wof s THR 100 N -0.13 2.25 0.26 -5.08 -4.23 -1.26 -4.82 115.64 102.62 2wof s THR 100 Ca 0.75 -0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.99 2wof s THR 100 Cb -0.89 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.20 2wof s THR 100 CO 0.52 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.46 2wof h ALA 101 N -0.64 1.33 -0.42 3.99 0.00 -1.94 0.68 119.26 122.27 2wof h ALA 101 Ca -0.44 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2wof h ALA 101 Cb 1.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2wof h ALA 101 CO 0.61 0.32 -0.07 -0.44 0.00 0.00 0.00 179.25 179.67 2wof h ASP 102 N 1.05 0.79 -0.12 0.00 3.32 -2.00 -1.95 116.42 117.51 2wof h ASP 102 Ca 0.43 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2wof h ASP 102 Cb 0.25 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2wof h ASP 102 CO -0.20 0.95 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.74 2wof h GLU 103 N 0.62 0.53 -0.50 3.56 5.08 -1.74 0.10 114.58 122.23 2wof h GLU 103 Ca 0.11 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2wof h GLU 103 Cb 0.59 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2wof h GLU 103 CO 0.04 0.70 0.32 0.82 -1.00 0.00 0.00 179.01 179.89 2wof h ILE 104 N 0.47 1.10 -0.43 3.13 2.04 -0.67 -0.28 117.51 122.87 2wof h ILE 104 Ca 0.08 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 2wof h ILE 104 Cb 0.62 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2wof h ILE 104 CO 0.04 0.12 -0.14 0.11 0.00 0.00 0.00 178.15 178.28 2wof h LYS 105 N 0.65 0.85 -0.49 2.37 1.57 -1.03 -2.10 116.57 118.39 2wof h LYS 105 Ca 0.19 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2wof h LYS 105 Cb -0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2wof h LYS 105 CO -0.06 0.98 0.32 0.37 -0.57 0.00 0.00 179.45 180.49 2wof h GLN 106 N 0.68 0.63 -0.75 3.15 4.15 -0.80 -1.03 115.11 121.15 2wof h GLN 106 Ca 0.10 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 2wof h GLN 106 Cb 0.69 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2wof h GLN 106 CO 0.05 0.42 0.34 0.00 -1.93 0.00 0.00 178.83 177.71 2wof h ALA 107 N 1.19 1.20 -0.36 3.38 0.00 -0.93 -1.29 119.26 122.44 2wof h ALA 107 Ca 0.18 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2wof h ALA 107 Cb -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2wof h ALA 107 CO -0.05 0.60 -0.14 0.28 0.00 0.00 0.00 179.25 179.95 2wof h VAL 108 N 1.06 1.28 -0.76 0.00 2.07 -1.07 -2.81 116.25 116.02 2wof h VAL 108 Ca 0.26 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.56 2wof h VAL 108 Cb 0.13 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2wof h VAL 108 CO -0.03 0.41 0.48 -0.33 0.02 0.00 0.00 177.57 178.12 2wof h GLU 109 N 0.53 0.92 -0.27 1.57 5.08 -0.76 -0.72 114.58 120.93 2wof h GLU 109 Ca 0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wof h GLU 109 Cb 0.67 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2wof h GLU 109 CO 0.05 0.61 0.16 0.82 -1.00 0.00 0.00 179.01 179.64 2wof h ILE 110 N 0.95 1.11 -0.11 3.13 2.04 -1.14 -1.26 117.51 122.23 2wof h ILE 110 Ca 0.30 -0.27 -0.16 0.00 1.00 0.00 0.00 64.86 65.73 2wof h ILE 110 Cb 0.00 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2wof h ILE 110 CO -0.11 0.11 -0.63 -0.37 0.00 0.00 0.00 178.15 177.14 2wof h VAL 111 N 0.33 1.36 0.00 1.67 -1.51 -1.41 -3.05 116.25 113.65 2wof h VAL 111 Ca 0.10 -1.98 -0.01 0.00 -1.23 0.00 0.00 66.70 63.57 2wof h VAL 111 Cb 0.03 1.97 -0.00 0.00 -2.13 0.00 0.00 31.29 31.16 2wof h VAL 111 CO -0.02 0.60 -0.07 0.11 -1.23 0.00 0.00 177.57 176.96 2wof h LYS 112 N 0.29 0.00 0.00 5.19 1.57 -0.92 -2.45 116.57 120.24 2wof h LYS 112 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2wof h LYS 112 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2wof h LYS 112 CO 0.11 0.07 -0.28 0.00 -0.57 0.00 0.00 179.45 178.78 2wof h ALA 113 N 1.93 0.95 -2.67 3.86 0.00 -1.11 -3.46 119.26 118.76 2wof h ALA 113 Ca -0.00 -0.26 -0.51 0.00 0.00 0.00 0.00 54.91 54.14 2wof h ALA 113 Cb 0.25 -0.05 0.08 0.00 0.00 0.00 0.00 17.79 18.07 2wof h ALA 113 CO 0.01 0.35 0.45 0.45 0.00 0.00 0.00 179.25 180.51 2wof s SER 114 N -6.27 5.64 0.12 0.00 0.15 -0.92 -4.90 113.70 107.52 2wof s SER 114 Ca 0.01 2.25 0.19 0.00 0.70 0.00 0.00 55.95 59.10 2wof s SER 114 Cb 0.09 -2.59 0.79 0.00 -1.71 0.00 0.00 66.02 62.61 2wof s SER 114 CO 0.66 -1.28 1.59 0.00 1.20 0.00 0.00 173.24 175.41 2wof n ALA 115 N -1.28 1.68 0.77 5.45 0.00 -1.26 -2.86 120.51 123.02 2wof n ALA 115 Ca 0.12 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.69 2wof n ALA 115 Cb 0.50 -1.31 0.24 0.00 0.00 0.00 0.00 19.45 18.89 2wof n ALA 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wof n ASP 116 N -1.84 0.56 -4.62 0.00 8.00 -1.26 -4.82 116.55 112.57 2wof n ASP 116 Ca 0.03 0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.12 2wof n ASP 116 Cb 0.20 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 2wof n ASP 116 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wof s PHE 117 N -3.09 2.27 0.27 1.24 2.19 -1.13 -4.99 117.98 114.74 2wof s PHE 117 Ca 0.09 0.66 -0.14 0.00 0.33 0.00 0.00 56.93 57.87 2wof s PHE 117 Cb 0.15 -4.06 -0.08 0.00 -1.31 0.00 0.00 43.02 37.72 2wof s PHE 117 CO 0.69 -2.43 0.68 0.15 1.83 0.00 0.00 175.22 176.15 2wof s LYS 118 N 4.75 4.00 0.30 10.12 -0.14 -1.26 -4.99 119.74 132.51 2wof s LYS 118 Ca 0.67 0.60 0.04 0.00 -1.36 0.00 0.00 55.97 55.91 2wof s LYS 118 Cb -0.20 -2.59 0.77 0.00 -1.68 0.00 0.00 37.83 34.13 2wof s LYS 118 CO 0.29 0.26 1.64 -1.35 -0.76 0.00 0.00 175.35 175.42 2wof h PRO 119 N 2.61 0.18 -0.51 -1.68 0.11 -2.00 -1.82 132.00 128.88 2wof h PRO 119 Ca -0.48 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.30 2wof h PRO 119 Cb 1.18 -0.04 -0.21 0.00 0.11 0.00 0.00 31.00 32.04 2wof h PRO 119 CO 0.66 0.12 -0.21 0.09 -0.21 0.00 0.00 178.00 178.45 2wof n ASN 120 N -5.24 3.68 -4.77 -2.05 3.02 -1.26 -5.00 115.26 103.63 2wof n ASN 120 Ca 0.23 -3.80 -0.40 0.00 -0.03 0.00 0.00 54.58 50.58 2wof n ASN 120 Cb 0.74 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2wof n ASN 120 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2wof s THR 121 N -3.81 2.23 0.37 3.41 2.01 -0.69 -4.72 115.64 114.44 2wof s THR 121 Ca 0.48 0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.78 2wof s THR 121 Cb 0.42 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 2wof s THR 121 CO 0.00 0.04 0.14 -0.13 -0.69 0.00 0.00 174.62 173.98 2wof s ARG 122 N -2.23 2.26 -0.28 4.92 0.52 0.41 -4.94 118.95 119.61 2wof s ARG 122 Ca 0.56 -1.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.09 2wof s ARG 122 Cb -0.43 -2.05 0.07 0.00 0.52 0.00 0.00 34.95 33.05 2wof s ARG 122 CO 0.57 0.02 -0.06 -0.06 0.02 0.00 0.00 175.30 175.79 2wof s PHE 123 N -2.52 3.36 0.28 -0.53 0.40 -0.03 -0.19 117.98 118.76 2wof s PHE 123 Ca 0.39 -2.37 0.07 0.00 -0.60 0.00 0.00 56.93 54.42 2wof s PHE 123 Cb 0.01 -2.16 0.41 0.00 0.51 0.00 0.00 43.02 41.78 2wof s PHE 123 CO 0.22 -0.88 1.66 1.79 0.70 0.00 0.00 175.22 178.71 2wof h THR 124 N 6.68 1.34 -1.89 0.64 1.35 -1.42 -3.39 112.91 116.22 2wof h THR 124 Ca -0.17 -1.68 0.02 0.00 -0.55 0.00 0.00 66.41 64.03 2wof h THR 124 Cb 1.04 1.81 -0.22 0.00 -1.73 0.00 0.00 68.15 69.05 2wof h THR 124 CO 0.49 0.50 0.16 -0.70 -0.25 0.00 0.00 175.52 175.71 2wof s GLU 125 N -3.99 0.68 -0.29 4.72 2.12 -1.14 -4.96 118.70 115.83 2wof s GLU 125 Ca -0.04 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.30 2wof s GLU 125 Cb 0.13 0.23 0.09 0.00 0.26 0.00 0.00 34.13 34.84 2wof s GLU 125 CO 0.77 -0.11 0.05 0.42 -0.54 0.00 0.00 175.26 175.85 2wof s ILE 126 N 1.04 1.28 0.10 -3.70 1.01 -1.26 -0.65 121.20 119.02 2wof s ILE 126 Ca -0.05 -1.49 0.03 0.00 0.00 0.00 0.00 60.65 59.14 2wof s ILE 126 Cb -0.05 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2wof s ILE 126 CO -0.11 -0.50 -0.10 -0.44 0.00 0.00 0.00 174.94 173.79 2wof s SER 127 N 1.44 1.40 0.01 3.58 0.01 -0.65 -4.66 113.70 114.83 2wof s SER 127 Ca 0.06 -0.82 -0.35 0.00 1.31 0.00 0.00 55.95 56.14 2wof s SER 127 Cb -0.18 0.02 -0.14 0.00 0.21 0.00 0.00 66.02 65.93 2wof s SER 127 CO -0.16 -0.28 1.65 -0.11 0.41 0.00 0.00 173.24 174.75 2wof n LEU 128 N 0.52 2.84 -4.49 2.44 7.94 -1.26 -1.03 117.00 123.97 2wof n LEU 128 Ca -0.16 1.05 -0.43 0.00 -1.11 0.00 0.00 56.01 55.37 2wof n LEU 128 Cb 0.58 -1.33 -0.04 0.00 0.53 0.00 0.00 43.42 43.16 2wof n LEU 128 CO 0.27 -0.37 0.74 -0.22 -1.11 0.00 0.00 177.39 176.70 2wof s LEU 129 N 2.21 4.25 0.67 -1.96 2.96 -0.66 -4.67 118.68 121.49 2wof s LEU 129 Ca 0.87 -0.69 -0.12 0.00 -0.22 0.00 0.00 54.13 53.97 2wof s LEU 129 Cb -0.79 -2.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 2wof s LEU 129 CO 0.48 -1.33 1.06 -2.16 -1.32 0.00 0.00 176.35 173.08 2wof s PRO 130 N 3.98 3.05 1.15 0.98 0.04 -1.26 -4.26 135.00 138.68 2wof s PRO 130 Ca 0.26 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 2wof s PRO 130 Cb -0.15 -2.00 0.27 0.00 0.04 0.00 0.00 34.50 32.66 2wof s PRO 130 CO 0.14 -1.01 1.04 -2.14 0.04 0.00 0.00 177.00 175.07 2wof s PRO 131 N -4.78 -0.80 0.48 0.56 0.02 -1.26 -4.97 135.00 124.25 2wof s PRO 131 Ca 0.59 0.63 -0.21 0.00 0.02 0.00 0.00 61.00 62.03 2wof s PRO 131 Cb -0.14 -1.58 -0.08 0.00 0.02 0.00 0.00 34.50 32.71 2wof s PRO 131 CO 0.50 -3.59 1.08 0.16 -0.33 0.00 0.00 177.00 174.82 2wof s ASP 132 N -2.88 6.23 0.24 2.53 1.47 -1.26 -4.84 116.67 118.16 2wof s ASP 132 Ca 0.68 2.05 -0.05 0.00 1.18 0.00 0.00 52.55 56.42 2wof s ASP 132 Cb -0.22 -2.57 0.42 0.00 -0.34 0.00 0.00 42.92 40.21 2wof s ASP 132 CO 0.62 -0.87 1.76 0.50 0.68 0.00 0.00 175.17 177.86 2wof h LYS 133 N 1.67 0.53 -0.27 2.11 3.64 -1.99 -1.42 116.57 120.84 2wof h LYS 133 Ca -0.49 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 2wof h LYS 133 Cb 1.23 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2wof h LYS 133 CO 0.59 0.35 0.00 1.49 -2.27 0.00 0.00 179.45 179.62 2wof h GLU 134 N 0.55 0.47 -0.72 1.90 4.81 -2.00 -0.61 114.58 118.99 2wof h GLU 134 Ca 0.40 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2wof h GLU 134 Cb 0.52 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 2wof h GLU 134 CO -0.34 0.63 0.46 0.00 -0.73 0.00 0.00 179.01 179.04 2wof h ALA 135 N 0.82 1.47 -0.25 2.92 0.00 -1.81 -1.57 119.26 120.84 2wof h ALA 135 Ca 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2wof h ALA 135 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2wof h ALA 135 CO 0.01 0.48 -0.05 0.28 0.00 0.00 0.00 179.25 179.98 2wof h VAL 136 N 0.98 1.28 -0.69 0.00 2.07 -0.52 -0.27 116.25 119.11 2wof h VAL 136 Ca 0.26 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2wof h VAL 136 Cb -0.10 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2wof h VAL 136 CO -0.05 0.32 0.37 -0.50 0.02 0.00 0.00 177.57 177.73 2wof h TRP 137 N 0.22 0.93 -0.00 1.57 -0.00 -1.02 -2.10 115.95 115.56 2wof h TRP 137 Ca 0.06 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.89 58.80 2wof h TRP 137 Cb 0.51 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.16 29.35 2wof h TRP 137 CO 0.05 0.66 -0.66 0.00 -0.00 0.00 0.00 178.44 178.49 2wof h ALA 138 N 1.45 0.91 -0.13 1.49 0.00 -1.02 0.33 119.26 122.29 2wof h ALA 138 Ca 0.24 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2wof h ALA 138 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2wof h ALA 138 CO -0.04 0.82 0.08 0.35 0.00 0.00 0.00 179.25 180.47 2wof h PHE 139 N 0.00 0.18 -0.20 0.00 3.04 -0.44 -0.65 116.94 118.87 2wof h PHE 139 Ca -0.01 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 2wof h PHE 139 Cb 1.16 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.61 2wof h PHE 139 CO 0.00 0.15 -0.59 0.00 -2.02 0.00 0.00 178.31 175.85 2wof h ALA 140 N 1.01 0.59 0.00 2.41 0.00 -0.90 -0.43 119.26 121.94 2wof h ALA 140 Ca 0.05 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 2wof h ALA 140 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2wof h ALA 140 CO -0.01 0.69 -1.70 1.28 0.00 0.00 0.00 179.25 179.51 2wof n LEU 141 N -3.96 0.53 0.00 0.00 4.77 0.11 -4.55 117.00 113.90 2wof n LEU 141 Ca -0.04 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2wof n LEU 141 Cb 0.64 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2wof n LEU 141 CO 0.49 0.17 0.24 -0.62 -1.33 0.00 0.00 177.39 176.34 2wof n GLU 142 N -2.73 0.38 -1.32 3.23 1.02 -0.31 -5.01 120.64 115.89 2wof n GLU 142 Ca -0.13 -0.58 -0.11 0.00 -0.02 0.00 0.00 57.16 56.32 2wof n GLU 142 Cb 0.84 -0.76 -0.05 0.00 -0.02 0.00 0.00 31.44 31.46 2wof n GLU 142 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2wof n ASN 143 N -0.11 -4.96 -4.70 1.62 3.02 -0.17 -4.95 115.26 105.01 2wof n ASN 143 Ca 0.00 0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 54.41 2wof n ASN 143 Cb 0.23 -3.45 -0.03 0.00 -0.61 0.00 0.00 39.78 35.93 2wof n ASN 143 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wof s LYS 144 N -2.80 4.29 0.29 3.52 2.20 -1.07 -4.91 119.74 121.26 2wof s LYS 144 Ca 0.00 2.04 -0.29 0.00 -0.36 0.00 0.00 55.97 57.36 2wof s LYS 144 Cb 0.00 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.78 2wof s LYS 144 CO 0.00 -0.53 1.41 -2.14 -0.36 0.00 0.00 175.35 173.73 2wof s PRO 145 N 1.87 4.27 0.26 4.03 0.02 -1.26 -3.40 135.00 140.79 2wof s PRO 145 Ca 0.65 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.69 2wof s PRO 145 Cb -0.34 -3.08 -0.09 0.00 0.02 0.00 0.00 34.50 31.00 2wof s PRO 145 CO 0.29 -0.37 1.11 0.08 -0.33 0.00 0.00 177.00 177.77 2wof s VAL 146 N -0.43 3.54 -0.47 3.83 1.01 -1.26 -4.93 120.40 121.69 2wof s VAL 146 Ca 0.56 1.50 0.03 0.00 0.00 0.00 0.00 61.98 64.06 2wof s VAL 146 Cb -0.42 -3.95 0.45 0.00 0.00 0.00 0.00 36.38 32.46 2wof s VAL 146 CO 0.48 0.34 1.58 0.47 0.00 0.00 0.00 175.10 177.97 2wof n ASP 147 N 1.44 6.22 -4.50 3.32 8.00 -1.26 -4.96 116.55 124.82 2wof n ASP 147 Ca -0.00 -3.77 -0.30 0.00 0.71 0.00 0.00 54.79 51.43 2wof n ASP 147 Cb 0.45 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 2wof n ASP 147 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wof s GLN 148 N -3.71 1.98 0.74 -1.24 -0.21 -1.26 -5.12 119.66 110.84 2wof s GLN 148 Ca 0.57 -1.06 -0.11 0.00 0.02 0.00 0.00 55.36 54.79 2wof s GLN 148 Cb 0.46 -2.19 0.03 0.00 1.00 0.00 0.00 33.01 32.31 2wof s GLN 148 CO 0.01 0.51 1.08 -1.25 -2.12 0.00 0.00 175.29 173.52 2wof s PRO 149 N -1.86 2.58 0.00 2.91 0.05 -1.26 -4.95 135.00 132.47 2wof s PRO 149 Ca 0.17 1.07 -0.30 0.00 0.05 0.00 0.00 61.00 61.99 2wof s PRO 149 Cb -0.11 -1.94 -0.07 0.00 0.05 0.00 0.00 34.50 32.44 2wof s PRO 149 CO 0.09 -1.39 1.60 1.03 0.05 0.00 0.00 177.00 178.38 2wof s ARG 150 N -4.97 4.21 0.19 4.56 1.81 -1.26 -4.93 118.95 118.56 2wof s ARG 150 Ca 0.60 2.20 0.10 0.00 -1.72 0.00 0.00 55.73 56.91 2wof s ARG 150 Cb -0.16 -3.76 -0.04 0.00 -0.45 0.00 0.00 34.95 30.54 2wof s ARG 150 CO 0.56 -0.75 -0.17 0.15 -0.68 0.00 0.00 175.30 174.40 2wof s LYS 151 N 3.18 1.77 -0.02 3.54 1.02 -1.26 0.01 119.74 127.97 2wof s LYS 151 Ca 0.72 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 55.33 2wof s LYS 151 Cb -0.35 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2wof s LYS 151 CO 0.30 0.41 -0.13 0.00 -0.92 0.00 0.00 175.35 175.02 2wof s ALA 152 N -1.71 1.08 -0.04 5.17 0.00 -0.36 -1.65 121.76 124.26 2wof s ALA 152 Ca 0.23 -0.53 -0.28 0.00 0.00 0.00 0.00 51.96 51.38 2wof s ALA 152 Cb -0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2wof s ALA 152 CO 0.12 0.24 0.92 -0.51 0.00 0.00 0.00 175.76 176.53 2wof s ASP 153 N -0.18 7.25 -0.22 0.00 1.01 -0.19 -1.50 116.67 122.84 2wof s ASP 153 Ca 0.03 1.52 0.02 0.00 0.71 0.00 0.00 52.55 54.82 2wof s ASP 153 Cb -0.06 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.38 2wof s ASP 153 CO -0.00 -0.26 -0.12 -0.69 0.21 0.00 0.00 175.17 174.31 2wof s VAL 154 N 1.15 1.86 -0.22 -1.27 1.01 0.50 -1.63 120.40 121.81 2wof s VAL 154 Ca 0.48 -1.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2wof s VAL 154 Cb -0.20 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2wof s VAL 154 CO 0.24 0.14 -0.02 -0.63 0.00 0.00 0.00 175.10 174.83 2wof s ILE 155 N 1.29 3.67 0.08 2.22 1.01 0.18 -0.50 121.20 129.14 2wof s ILE 155 Ca -0.03 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.29 2wof s ILE 155 Cb -0.17 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2wof s ILE 155 CO -0.08 0.41 -0.13 -0.04 0.00 0.00 0.00 174.94 175.11 2wof s MET 156 N 1.34 2.10 -0.24 2.79 -1.94 0.61 -1.12 119.30 122.84 2wof s MET 156 Ca 0.04 -1.01 0.03 0.00 -1.71 0.00 0.00 55.69 53.04 2wof s MET 156 Cb -0.14 -2.27 0.05 0.00 2.01 0.00 0.00 34.83 34.48 2wof s MET 156 CO -0.00 0.52 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.23 2wof s LEU 157 N -1.95 3.16 -0.62 -0.03 2.96 0.73 -1.07 118.68 121.86 2wof s LEU 157 Ca 0.19 -1.25 -0.11 0.00 -0.22 0.00 0.00 54.13 52.74 2wof s LEU 157 Cb -0.11 -1.52 0.16 0.00 0.50 0.00 0.00 46.19 45.22 2wof s LEU 157 CO 0.11 -0.16 0.52 -0.62 -1.32 0.00 0.00 176.35 174.87 2wof s ASP 158 N 1.15 6.02 0.81 3.68 2.15 0.75 -0.44 116.67 130.79 2wof s ASP 158 Ca -0.06 -2.30 0.00 0.00 0.43 0.00 0.00 52.55 50.62 2wof s ASP 158 Cb -0.19 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2wof s ASP 158 CO -0.07 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 174.92 2wof n GLY 159 N 4.43 0.80 0.23 2.66 0.00 -1.26 -1.22 105.19 110.83 2wof n GLY 159 Ca 0.00 0.44 0.02 0.00 0.00 0.00 0.00 46.02 46.49 2wof n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wof n LYS 160 N 0.00 2.20 -3.86 1.61 2.85 -1.26 -5.01 118.16 114.69 2wof n LYS 160 Ca 0.00 -1.50 -0.35 0.00 -1.05 0.00 0.00 58.31 55.42 2wof n LYS 160 Cb 0.00 -1.10 -0.09 0.00 -0.65 0.00 0.00 35.03 33.19 2wof n LYS 160 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2wof s HIS 161 N -0.86 3.33 -0.06 5.58 3.76 -0.36 -4.52 115.29 122.17 2wof s HIS 161 Ca 0.08 0.20 -0.19 0.00 -0.15 0.00 0.00 55.06 55.01 2wof s HIS 161 Cb 0.04 -2.12 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 2wof s HIS 161 CO 0.06 0.22 0.51 0.42 -0.85 0.00 0.00 174.74 175.11 2wof s ILE 162 N 0.36 5.07 -0.03 0.60 -1.09 -1.26 -0.17 121.20 124.67 2wof s ILE 162 Ca 0.06 1.05 0.03 0.00 -2.23 0.00 0.00 60.65 59.56 2wof s ILE 162 Cb -0.12 -3.85 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 2wof s ILE 162 CO -0.01 0.39 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.33 2wof s ILE 163 N 0.12 1.14 -0.22 2.92 1.09 -0.24 -0.88 121.20 125.14 2wof s ILE 163 Ca 0.28 -0.56 -0.06 0.00 -1.10 0.00 0.00 60.65 59.21 2wof s ILE 163 Cb -0.16 -0.99 -0.03 0.00 -1.06 0.00 0.00 42.46 40.22 2wof s ILE 163 CO 0.13 0.34 0.03 -1.61 -0.10 0.00 0.00 174.94 173.73 2wof s GLU 164 N 0.10 3.64 0.26 2.79 2.02 -0.41 -0.28 118.70 126.83 2wof s GLU 164 Ca -0.03 -0.50 0.11 0.00 0.02 0.00 0.00 54.97 54.57 2wof s GLU 164 Cb -0.10 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.90 2wof s GLU 164 CO 0.01 -0.07 -0.17 0.00 0.02 0.00 0.00 175.26 175.06 2wof s ALA 165 N 1.25 2.80 -0.05 5.21 0.00 0.34 -1.08 121.76 130.24 2wof s ALA 165 Ca 0.04 -1.80 0.04 0.00 0.00 0.00 0.00 51.96 50.23 2wof s ALA 165 Cb -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2wof s ALA 165 CO 0.02 0.30 -0.16 0.08 0.00 0.00 0.00 175.76 176.00 2wof s VAL 166 N -2.36 1.37 0.04 0.00 1.01 -0.48 -0.37 120.40 119.61 2wof s VAL 166 Ca 0.29 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.69 2wof s VAL 166 Cb -0.06 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2wof s VAL 166 CO 0.15 0.40 -0.22 0.68 0.00 0.00 0.00 175.10 176.11 2wof s VAL 167 N 0.23 1.78 -0.38 2.92 -7.23 -0.56 -0.75 120.40 116.42 2wof s VAL 167 Ca -0.08 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 58.71 2wof s VAL 167 Cb -0.13 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2wof s VAL 167 CO 0.03 0.25 0.26 -0.62 -0.31 0.00 0.00 175.10 174.71 2wof s ASP 168 N -1.18 6.04 0.11 4.85 -1.08 0.83 -1.22 116.67 125.01 2wof s ASP 168 Ca 0.08 -0.70 0.05 0.00 -0.52 0.00 0.00 52.55 51.46 2wof s ASP 168 Cb -0.09 -2.14 -0.22 0.00 -1.46 0.00 0.00 42.92 39.01 2wof s ASP 168 CO 0.02 -0.35 1.25 -0.07 0.52 0.00 0.00 175.17 176.53 2wof h LEU 169 N 8.55 0.08 0.34 -1.34 3.38 -0.70 0.82 115.31 126.45 2wof h LEU 169 Ca -0.29 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2wof h LEU 169 Cb 1.13 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2wof h LEU 169 CO 0.68 1.07 -0.16 -0.61 0.09 0.00 0.00 178.44 179.51 2wof h GLN 170 N 0.01 -0.44 -0.04 1.13 4.15 -1.93 -3.12 115.11 114.86 2wof h GLN 170 Ca -0.04 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2wof h GLN 170 Cb 1.81 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.60 2wof h GLN 170 CO 0.14 -0.16 0.00 0.09 -1.93 0.00 0.00 178.83 176.98 2wof n ASN 171 N -5.19 0.83 -3.90 -0.69 3.02 -1.24 -4.91 115.26 103.19 2wof n ASN 171 Ca -0.10 -1.40 -0.29 0.00 -0.03 0.00 0.00 54.58 52.76 2wof n ASN 171 Cb 0.26 -0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.43 2wof n ASN 171 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wof n ASN 172 N -0.30 -4.05 -4.26 6.41 5.15 0.19 -4.97 115.26 113.43 2wof n ASN 172 Ca 0.19 -0.80 -0.21 0.00 -0.60 0.00 0.00 54.58 53.16 2wof n ASN 172 Cb 0.22 -3.84 -0.12 0.00 -0.53 0.00 0.00 39.78 35.52 2wof n ASN 172 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2wof s LYS 173 N -6.54 1.07 -0.04 1.20 -2.85 -0.66 -4.97 119.74 106.94 2wof s LYS 173 Ca 0.55 -1.19 -0.30 0.00 -1.00 0.00 0.00 55.97 54.03 2wof s LYS 173 Cb -0.27 -1.13 -0.02 0.00 -2.06 0.00 0.00 37.83 34.34 2wof s LYS 173 CO 0.83 0.24 0.98 -1.17 0.10 0.00 0.00 175.35 176.33 2wof s LEU 174 N -2.18 4.32 -0.11 2.77 2.96 -1.26 -0.12 118.68 125.06 2wof s LEU 174 Ca 0.07 1.59 0.17 0.00 -0.22 0.00 0.00 54.13 55.75 2wof s LEU 174 Cb -0.08 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.81 2wof s LEU 174 CO 0.04 -0.32 0.22 0.18 -1.32 0.00 0.00 176.35 175.15 2wof n LEU 175 N 4.30 0.00 -3.50 -0.68 4.77 0.08 -4.92 117.00 117.04 2wof n LEU 175 Ca 0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2wof n LEU 175 Cb 0.50 0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 2wof n LEU 175 CO 0.52 0.24 0.60 -0.94 -1.33 0.00 0.00 177.39 176.47 2wof s SER 176 N -4.73 -0.41 -0.26 -1.43 1.04 -1.13 -4.94 113.70 101.85 2wof s SER 176 Ca -0.08 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 2wof s SER 176 Cb 0.08 0.46 0.14 0.00 0.10 0.00 0.00 66.02 66.81 2wof s SER 176 CO 0.76 -0.76 0.39 0.86 0.98 0.00 0.00 173.24 175.47 2wof s TRP 177 N -3.34 -0.89 -0.22 5.02 -0.11 -1.26 -1.39 118.94 116.76 2wof s TRP 177 Ca 0.04 0.76 -0.04 0.00 1.22 0.00 0.00 56.10 58.09 2wof s TRP 177 Cb -0.01 0.00 0.07 0.00 -1.50 0.00 0.00 33.47 32.03 2wof s TRP 177 CO -0.09 -0.78 0.08 -1.14 -4.62 0.00 0.00 176.95 170.40 2wof s GLN 178 N 2.56 0.36 0.41 5.86 2.00 -0.24 -4.98 119.66 125.63 2wof s GLN 178 Ca 0.12 -0.41 -0.27 0.00 -2.00 0.00 0.00 55.36 52.81 2wof s GLN 178 Cb -0.15 -1.80 -0.10 0.00 0.80 0.00 0.00 33.01 31.77 2wof s GLN 178 CO -0.19 -0.77 1.45 -2.14 -0.50 0.00 0.00 175.29 173.14 2wof s PRO 179 N 1.98 3.93 -0.37 1.67 0.02 -1.26 -1.29 135.00 139.68 2wof s PRO 179 Ca 0.03 2.49 -0.03 0.00 0.02 0.00 0.00 61.00 63.52 2wof s PRO 179 Cb -0.17 -2.83 0.09 0.00 0.02 0.00 0.00 34.50 31.61 2wof s PRO 179 CO -0.17 -0.64 0.14 0.42 -0.33 0.00 0.00 177.00 176.42 2wof s ILE 180 N -1.16 3.23 0.29 2.83 -1.09 -0.05 -4.88 121.20 120.37 2wof s ILE 180 Ca 0.56 -1.80 -0.30 0.00 -2.23 0.00 0.00 60.65 56.89 2wof s ILE 180 Cb -0.45 -3.09 -0.13 0.00 -1.58 0.00 0.00 42.46 37.22 2wof s ILE 180 CO 0.60 -0.49 1.40 1.17 -1.23 0.00 0.00 174.94 176.39 2wof n LYS 181 N 4.61 2.22 0.00 2.79 4.81 -1.26 -3.17 118.16 128.17 2wof n LYS 181 Ca -0.06 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2wof n LYS 181 Cb 0.42 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.03 2wof n LYS 181 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wof n ASP 182 N 1.55 0.00 -4.72 3.14 8.00 -1.26 -4.97 116.55 118.29 2wof n ASP 182 Ca 0.08 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 2wof n ASP 182 Cb 0.34 -0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 2wof n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wof s ALA 183 N -1.82 3.52 0.07 2.24 0.00 -1.19 -5.04 121.76 119.55 2wof s ALA 183 Ca 0.00 1.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.92 2wof s ALA 183 Cb 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 2wof s ALA 183 CO 0.00 -0.53 0.39 -1.01 0.00 0.00 0.00 175.76 174.60 2wof s HIS 184 N 0.63 3.58 0.51 0.00 3.76 -1.26 -4.43 115.29 118.08 2wof s HIS 184 Ca 0.60 0.76 -0.17 0.00 -0.15 0.00 0.00 55.06 56.10 2wof s HIS 184 Cb -0.35 -2.14 -0.08 0.00 1.11 0.00 0.00 32.58 31.12 2wof s HIS 184 CO 0.33 0.53 0.99 0.20 -0.85 0.00 0.00 174.74 175.94 2wof s GLY 185 N -1.77 2.12 1.26 -2.22 0.00 -1.26 -4.50 107.32 100.95 2wof s GLY 185 Ca 0.33 0.24 -0.16 0.00 0.00 0.00 0.00 44.72 45.12 2wof s GLY 185 CO 0.18 0.52 0.99 -3.16 0.00 0.00 0.00 173.10 171.63 2wof s MET 186 N -3.95 -1.65 -0.03 2.90 0.23 -1.26 -4.88 119.30 110.65 2wof s MET 186 Ca 0.60 0.61 -0.27 0.00 -1.03 0.00 0.00 55.69 55.60 2wof s MET 186 Cb -0.11 -1.49 -0.03 0.00 -1.53 0.00 0.00 34.83 31.68 2wof s MET 186 CO 0.30 -4.15 0.86 0.08 -2.03 0.00 0.00 175.02 170.08 2wof s VAL 187 N -2.39 4.94 0.23 5.16 1.01 0.61 -5.03 120.40 124.93 2wof s VAL 187 Ca 0.69 1.80 0.06 0.00 0.00 0.00 0.00 61.98 64.53 2wof s VAL 187 Cb -0.22 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2wof s VAL 187 CO 0.63 0.19 0.19 -0.76 0.00 0.00 0.00 175.10 175.35 2wof s LEU 188 N 0.97 3.84 0.24 3.92 1.43 -1.26 -4.64 118.68 123.17 2wof s LEU 188 Ca 0.46 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.30 2wof s LEU 188 Cb -0.20 -2.39 0.41 0.00 0.03 0.00 0.00 46.19 44.05 2wof s LEU 188 CO 0.23 -0.01 1.76 0.25 0.23 0.00 0.00 176.35 178.81 2wof h LEU 189 N 1.71 0.41 -1.90 1.79 5.85 -1.97 -1.19 115.31 120.01 2wof h LEU 189 Ca -0.48 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 2wof h LEU 189 Cb 1.23 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 2wof h LEU 189 CO 0.61 0.20 -0.12 -2.24 -0.34 0.00 0.00 178.44 176.55 2wof h ASP 190 N 0.55 0.00 -0.76 1.25 2.03 -2.01 -1.89 116.42 115.60 2wof h ASP 190 Ca 0.39 0.00 0.15 0.00 -0.73 0.00 0.00 57.03 56.84 2wof h ASP 190 Cb 0.50 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.95 2wof h ASP 190 CO -0.33 0.12 0.51 0.44 -1.03 0.00 0.00 179.24 178.95 2wof h ASP 191 N 0.00 0.38 -0.55 4.15 3.32 -1.62 0.42 116.42 122.53 2wof h ASP 191 Ca -0.00 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 2wof h ASP 191 Cb 0.29 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2wof h ASP 191 CO 0.02 0.20 0.10 -0.26 -1.72 0.00 0.00 179.24 177.58 2wof h PHE 192 N 0.41 0.95 0.21 4.55 -1.00 -1.44 0.08 116.94 120.70 2wof h PHE 192 Ca 0.37 -0.13 -0.30 0.00 2.81 0.00 0.00 57.97 60.73 2wof h PHE 192 Cb 0.87 -0.26 0.03 0.00 3.61 0.00 0.00 35.95 40.20 2wof h PHE 192 CO -0.00 0.84 -1.37 0.00 -1.61 0.00 0.00 178.31 176.17 2wof h ALA 193 N 1.00 -0.07 -0.20 2.45 0.00 -1.51 -2.56 119.26 118.37 2wof h ALA 193 Ca 0.17 -0.89 0.06 0.00 0.00 0.00 0.00 54.91 54.25 2wof h ALA 193 Cb 0.39 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 2wof h ALA 193 CO 0.01 0.68 -0.33 1.03 0.00 0.00 0.00 179.25 180.65 2wof h SER 194 N -0.02 -1.03 -0.62 0.00 0.87 -0.91 0.16 113.55 111.99 2wof h SER 194 Ca -0.25 0.16 0.10 0.00 -1.23 0.00 0.00 61.79 60.57 2wof h SER 194 Cb 2.00 0.45 -0.08 0.00 -0.44 0.00 0.00 62.40 64.34 2wof h SER 194 CO 0.21 -0.35 0.22 0.58 -0.53 0.00 0.00 176.83 176.96 2wof h VAL 195 N -0.36 0.74 -0.41 2.23 2.07 -0.97 -0.95 116.25 118.60 2wof h VAL 195 Ca 0.12 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 2wof h VAL 195 Cb 0.54 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2wof h VAL 195 CO -0.40 0.07 -0.14 -0.61 0.02 0.00 0.00 177.57 176.51 2wof h GLN 196 N 0.39 0.74 -0.45 1.57 5.75 -0.90 -0.83 115.11 121.37 2wof h GLN 196 Ca 0.32 -0.25 -0.13 0.00 -0.15 0.00 0.00 58.65 58.43 2wof h GLN 196 Cb 0.41 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2wof h GLN 196 CO -0.33 0.84 -0.24 -0.91 -2.65 0.00 0.00 178.83 175.54 2wof h ASN 197 N 0.67 0.99 -0.43 -0.69 2.35 0.01 -1.26 115.58 117.21 2wof h ASN 197 Ca 0.11 -0.38 -0.12 0.00 -0.55 0.00 0.00 56.30 55.35 2wof h ASN 197 Cb 0.61 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2wof h ASN 197 CO 0.04 1.17 -0.21 0.40 -1.65 0.00 0.00 177.43 177.18 2wof h ILE 198 N 0.82 1.28 0.29 2.81 2.04 -0.99 -1.60 117.51 122.17 2wof h ILE 198 Ca 0.10 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 2wof h ILE 198 Cb 0.82 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2wof h ILE 198 CO 0.07 0.46 -0.21 0.40 0.00 0.00 0.00 178.15 178.88 2wof h ILE 199 N 0.73 0.57 -0.59 -0.67 5.03 -1.09 -2.88 117.51 118.61 2wof h ILE 199 Ca 0.09 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 65.01 2wof h ILE 199 Cb 0.78 0.57 -0.02 0.00 -3.03 0.00 0.00 36.82 35.12 2wof h ILE 199 CO 0.06 0.00 0.48 0.78 -0.68 0.00 0.00 178.15 178.80 2wof h ASN 200 N -0.49 0.00 -0.67 1.72 2.35 -0.87 -1.27 115.58 116.34 2wof h ASN 200 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2wof h ASN 200 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2wof h ASN 200 CO 0.01 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.38 2wof n ASN 201 N -4.09 3.80 -4.60 5.81 5.03 -0.63 -4.90 115.26 115.66 2wof n ASN 201 Ca 0.11 -2.00 -0.38 0.00 0.87 0.00 0.00 54.58 53.19 2wof n ASN 201 Cb 0.72 -0.45 -0.11 0.00 -1.02 0.00 0.00 39.78 38.92 2wof n ASN 201 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2wof s SER 202 N -1.08 6.06 0.06 6.41 0.15 -0.48 -4.97 113.70 119.85 2wof s SER 202 Ca 0.47 0.04 -0.17 0.00 0.70 0.00 0.00 55.95 56.99 2wof s SER 202 Cb 0.25 -2.13 -0.16 0.00 -1.71 0.00 0.00 66.02 62.28 2wof s SER 202 CO 0.33 -0.04 1.28 -0.33 1.20 0.00 0.00 173.24 175.67 2wof h GLU 203 N 8.20 0.56 -0.84 5.44 5.08 -1.90 -1.38 114.58 129.74 2wof h GLU 203 Ca -0.35 -0.41 0.14 0.00 -1.00 0.00 0.00 59.36 57.74 2wof h GLU 203 Cb 1.18 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 2wof h GLU 203 CO 0.58 1.03 0.42 0.93 -1.00 0.00 0.00 179.01 180.97 2wof h GLU 204 N 0.20 0.59 -0.09 2.33 3.07 -1.97 0.39 114.58 119.10 2wof h GLU 204 Ca -0.02 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.76 2wof h GLU 204 Cb 1.07 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.85 2wof h GLU 204 CO 0.10 0.39 -0.12 0.35 -1.40 0.00 0.00 179.01 178.32 2wof h PHE 205 N 0.61 0.30 -0.57 4.33 3.04 -1.83 0.11 116.94 122.93 2wof h PHE 205 Ca 0.45 -0.10 0.08 0.00 3.98 0.00 0.00 57.97 62.39 2wof h PHE 205 Cb 0.63 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 2wof h PHE 205 CO -0.10 0.71 0.38 0.00 -2.02 0.00 0.00 178.31 177.28 2wof h ALA 206 N 0.54 1.98 -0.02 2.41 0.00 -0.92 0.20 119.26 123.44 2wof h ALA 206 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wof h ALA 206 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wof h ALA 206 CO 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.19 2wof h ALA 207 N 1.71 0.03 -0.54 0.00 0.00 0.32 -0.88 119.26 119.89 2wof h ALA 207 Ca 0.26 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2wof h ALA 207 Cb 0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2wof h ALA 207 CO -0.07 -0.34 0.30 0.00 0.00 0.00 0.00 179.25 179.14 2wof h ALA 208 N 0.75 0.70 -0.55 0.00 0.00 0.05 -2.69 119.26 117.51 2wof h ALA 208 Ca 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2wof h ALA 208 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2wof h ALA 208 CO 0.00 -0.02 0.04 0.28 0.00 0.00 0.00 179.25 179.55 2wof h VAL 209 N 0.58 1.25 0.08 0.00 2.07 -0.52 -2.86 116.25 116.85 2wof h VAL 209 Ca 0.23 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 2wof h VAL 209 Cb 0.10 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2wof h VAL 209 CO -0.14 0.37 -0.04 0.50 0.02 0.00 0.00 177.57 178.28 2wof h LYS 210 N 0.85 -0.11 -0.90 1.57 1.63 -0.97 -1.24 116.57 117.40 2wof h LYS 210 Ca 0.17 0.01 0.21 0.00 -0.85 0.00 0.00 60.65 60.19 2wof h LYS 210 Cb 0.45 0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 31.93 2wof h LYS 210 CO 0.02 0.10 -0.07 0.87 -3.45 0.00 0.00 179.45 176.92 2wof h LYS 211 N -0.30 0.03 -0.69 1.90 1.57 -1.28 -0.55 116.57 117.24 2wof h LYS 211 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wof h LYS 211 Cb 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2wof h LYS 211 CO 0.02 0.02 0.00 0.54 -0.57 0.00 0.00 179.45 179.46 2wof n ARG 212 N -5.48 0.79 -0.34 3.15 1.74 -0.47 -4.72 116.66 111.31 2wof n ARG 212 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2wof n ARG 212 Cb 0.58 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 2wof n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wof n GLY 213 N 0.13 0.81 3.40 -0.13 0.00 -0.22 -4.61 105.19 104.56 2wof n GLY 213 Ca 0.00 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2wof n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wof s ILE 214 N -2.00 4.10 0.01 -0.61 1.01 -1.18 -4.98 121.20 117.55 2wof s ILE 214 Ca 0.00 -0.39 0.11 0.00 0.00 0.00 0.00 60.65 60.37 2wof s ILE 214 Cb 0.00 -2.98 -0.22 0.00 0.01 0.00 0.00 42.46 39.27 2wof s ILE 214 CO 0.00 0.25 0.87 0.71 0.00 0.00 0.00 174.94 176.78 2wof h THR 215 N 5.67 1.14 -3.77 2.92 1.35 -1.90 -3.39 112.91 114.94 2wof h THR 215 Ca -0.36 -2.95 -0.67 0.00 -0.55 0.00 0.00 66.41 61.88 2wof h THR 215 Cb 1.16 2.56 -0.36 0.00 -1.73 0.00 0.00 68.15 69.78 2wof h THR 215 CO 0.59 0.65 -0.73 -0.62 -0.25 0.00 0.00 175.52 175.16 2wof s ASP 216 N -6.30 4.71 0.01 5.36 -1.08 -1.26 -4.99 116.67 113.12 2wof s ASP 216 Ca -0.03 -1.61 0.18 0.00 -0.52 0.00 0.00 52.55 50.57 2wof s ASP 216 Cb 0.09 -1.64 0.77 0.00 -1.46 0.00 0.00 42.92 40.68 2wof s ASP 216 CO 0.82 -0.29 1.58 0.00 0.52 0.00 0.00 175.17 177.80 2wof n ALA 217 N 4.45 1.82 0.56 3.66 0.00 -1.26 -2.19 120.51 127.54 2wof n ALA 217 Ca -0.08 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.41 2wof n ALA 217 Cb 0.42 -1.29 0.45 0.00 0.00 0.00 0.00 19.45 19.03 2wof n ALA 217 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wof n LYS 218 N -1.52 0.13 -0.46 0.00 4.01 -1.26 -3.08 118.16 115.98 2wof n LYS 218 Ca 0.04 0.27 0.07 0.00 -0.51 0.00 0.00 58.31 58.19 2wof n LYS 218 Cb 0.21 -1.71 0.28 0.00 -0.51 0.00 0.00 35.03 33.29 2wof n LYS 218 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2wof n LYS 219 N -1.95 3.03 -3.36 1.97 5.02 -0.93 -4.91 118.16 117.02 2wof n LYS 219 Ca 0.04 -2.19 -0.38 0.00 -2.02 0.00 0.00 58.31 53.76 2wof n LYS 219 Cb 0.27 -1.72 -0.07 0.00 -0.02 0.00 0.00 35.03 33.49 2wof n LYS 219 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wof s VAL 220 N -1.72 5.19 -0.21 -0.18 1.01 -1.18 0.68 120.40 124.00 2wof s VAL 220 Ca 0.39 0.79 -0.04 0.00 0.00 0.00 0.00 61.98 63.12 2wof s VAL 220 Cb 0.25 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 2wof s VAL 220 CO 0.20 0.28 -0.02 -0.63 0.00 0.00 0.00 175.10 174.92 2wof s ILE 221 N 1.07 3.65 0.44 2.22 -1.09 0.15 -4.95 121.20 122.69 2wof s ILE 221 Ca 0.21 -0.41 -0.05 0.00 -2.23 0.00 0.00 60.65 58.17 2wof s ILE 221 Cb -0.15 -2.66 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 2wof s ILE 221 CO 0.08 0.42 0.73 0.42 -1.23 0.00 0.00 174.94 175.37 2wof s THR 222 N 1.28 4.92 -0.08 2.92 -4.23 -1.26 -1.39 115.64 117.80 2wof s THR 222 Ca 0.04 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 2wof s THR 222 Cb -0.14 -3.83 0.04 0.00 1.34 0.00 0.00 72.50 69.91 2wof s THR 222 CO -0.00 -0.71 0.16 0.28 -0.54 0.00 0.00 174.62 173.80 2wof s THR 223 N -2.57 -0.15 0.06 3.99 -1.32 -0.31 -4.97 115.64 110.36 2wof s THR 223 Ca 0.47 0.26 -0.22 0.00 -1.21 0.00 0.00 61.69 60.98 2wof s THR 223 Cb -0.10 -0.27 -0.06 0.00 -1.51 0.00 0.00 72.50 70.55 2wof s THR 223 CO 0.40 0.11 0.67 -2.16 -2.21 0.00 0.00 174.62 171.43 2wof s PRO 224 N 1.71 4.39 0.04 7.08 0.04 -1.26 -2.01 135.00 144.98 2wof s PRO 224 Ca -0.03 0.91 0.05 0.00 0.04 0.00 0.00 61.00 61.97 2wof s PRO 224 Cb -0.12 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 2wof s PRO 224 CO -0.06 0.45 -0.14 -0.51 0.04 0.00 0.00 177.00 176.77 2wof s LEU 225 N -0.55 2.16 0.62 -3.56 1.02 0.48 -4.98 118.68 113.87 2wof s LEU 225 Ca 0.34 -0.44 -0.15 0.00 0.02 0.00 0.00 54.13 53.89 2wof s LEU 225 Cb -0.20 -0.62 -0.02 0.00 0.02 0.00 0.00 46.19 45.36 2wof s LEU 225 CO 0.21 0.05 1.07 0.42 0.02 0.00 0.00 176.35 178.12 2wof s THR 226 N -0.81 3.68 -0.55 5.49 -4.23 -1.26 -1.39 115.64 116.57 2wof s THR 226 Ca 0.02 0.78 0.22 0.00 -1.18 0.00 0.00 61.69 61.53 2wof s THR 226 Cb -0.08 -3.31 -0.23 0.00 1.34 0.00 0.00 72.50 70.22 2wof s THR 226 CO 0.01 -0.49 0.80 1.33 -0.54 0.00 0.00 174.62 175.73 2wof n VAL 227 N -2.19 0.06 -3.29 2.29 0.24 -1.26 -4.76 118.33 109.42 2wof n VAL 227 Ca 0.09 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2wof n VAL 227 Cb 0.53 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 2wof n VAL 227 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wof n GLY 228 N 1.38 -1.56 2.85 7.63 0.00 -1.26 -4.87 105.19 109.36 2wof n GLY 228 Ca 0.01 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 2wof n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wof s TYR 229 N 0.00 -0.08 -0.01 1.61 5.04 -1.26 -4.33 117.35 118.31 2wof s TYR 229 Ca 0.00 0.34 0.10 0.00 -2.44 0.00 0.00 57.07 55.07 2wof s TYR 229 Cb 0.00 -0.16 0.17 0.00 0.35 0.00 0.00 41.96 42.32 2wof s TYR 229 CO 0.00 -0.14 1.07 1.19 -1.34 0.00 0.00 175.55 176.33 2wof n PHE 230 N 4.24 0.00 -3.30 4.97 3.01 -1.26 -4.72 117.46 120.40 2wof n PHE 230 Ca -0.26 -0.27 -0.24 0.00 1.01 0.00 0.00 57.45 57.69 2wof n PHE 230 Cb 0.51 -0.09 0.05 0.00 -0.01 0.00 0.00 39.48 39.94 2wof n PHE 230 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2wof n ASP 231 N 0.04 -6.12 0.00 4.37 2.03 -1.26 -1.36 116.55 114.25 2wof n ASP 231 Ca 0.03 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.93 2wof n ASP 231 Cb 0.84 -4.89 0.00 0.00 -0.72 0.00 0.00 41.12 36.36 2wof n ASP 231 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wof n GLY 232 N -1.72 2.58 0.21 0.27 0.00 -1.26 -4.90 105.19 100.38 2wof n GLY 232 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.11 2wof n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wof h LYS 233 N 2.18 0.00 -0.00 1.61 1.79 -1.59 0.22 116.57 120.77 2wof h LYS 233 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2wof h LYS 233 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2wof h LYS 233 CO 0.00 0.00 -0.26 -0.40 -1.08 0.00 0.00 179.45 177.71 2wof n ASP 234 N -2.56 0.45 0.00 0.86 5.75 -1.26 -4.93 116.55 114.86 2wof n ASP 234 Ca -0.01 -0.25 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 2wof n ASP 234 Cb 0.12 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 2wof n ASP 234 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wof n GLY 235 N 1.43 0.56 3.46 6.12 0.00 0.76 -5.03 105.19 112.49 2wof n GLY 235 Ca 0.09 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2wof n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wof s LEU 236 N 0.00 2.96 0.28 0.99 1.43 -1.26 -5.08 118.68 118.00 2wof s LEU 236 Ca 0.00 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 2wof s LEU 236 Cb 0.00 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.46 2wof s LEU 236 CO 0.00 0.22 1.07 -0.75 0.23 0.00 0.00 176.35 177.12 2wof s LYS 237 N 0.03 4.65 0.45 1.70 2.20 -1.26 -4.67 119.74 122.84 2wof s LYS 237 Ca -0.02 1.74 0.24 0.00 -0.36 0.00 0.00 55.97 57.57 2wof s LYS 237 Cb -0.14 -3.17 0.47 0.00 -1.51 0.00 0.00 37.83 33.49 2wof s LYS 237 CO 0.04 0.24 1.66 0.37 -0.36 0.00 0.00 175.35 177.30 2wof h GLN 238 N 3.79 0.00 0.00 4.03 5.75 -2.01 -3.26 115.11 123.42 2wof h GLN 238 Ca -0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 2wof h GLN 238 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2wof h GLN 238 CO 0.67 0.00 -0.40 -0.44 -2.65 0.00 0.00 178.83 176.01 2wof h ASP 239 N 0.00 0.00 -3.55 -0.69 3.32 -1.99 -3.47 116.42 110.04 2wof h ASP 239 Ca 0.00 -0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 2wof h ASP 239 Cb 0.94 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 2wof h ASP 239 CO 0.00 0.00 0.28 0.00 -1.72 0.00 0.00 179.24 177.80 2wof s ALA 240 N -3.27 3.32 -0.45 3.45 0.00 -1.23 -4.98 121.76 118.59 2wof s ALA 240 Ca 0.04 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.19 2wof s ALA 240 Cb 0.07 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 20.06 2wof s ALA 240 CO 0.72 0.07 1.28 0.50 0.00 0.00 0.00 175.76 178.33 2wof s ARG 241 N -0.32 3.63 0.16 0.00 3.52 -1.26 -4.98 118.95 119.70 2wof s ARG 241 Ca 0.42 0.73 0.09 0.00 -0.13 0.00 0.00 55.73 56.84 2wof s ARG 241 Cb -0.23 -3.98 -0.04 0.00 -1.56 0.00 0.00 34.95 29.14 2wof s ARG 241 CO 0.28 -1.50 -0.20 -0.51 -0.81 0.00 0.00 175.30 172.55 2wof s LEU 242 N 5.00 2.41 -0.01 -0.88 1.43 -1.26 -1.92 118.68 123.45 2wof s LEU 242 Ca 0.54 -0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 2wof s LEU 242 Cb -0.10 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.20 2wof s LEU 242 CO 0.32 0.02 0.12 -0.76 0.23 0.00 0.00 176.35 176.28 2wof s LEU 243 N -2.53 1.59 0.27 1.79 1.43 -0.85 -4.63 118.68 115.75 2wof s LEU 243 Ca 0.15 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 2wof s LEU 243 Cb -0.07 0.55 -0.03 0.00 0.03 0.00 0.00 46.19 46.67 2wof s LEU 243 CO 0.07 -0.25 0.41 -0.54 0.23 0.00 0.00 176.35 176.27 2wof s LYS 244 N -0.89 3.43 -0.08 1.70 1.02 -0.49 -0.25 119.74 124.19 2wof s LYS 244 Ca -0.10 -0.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 2wof s LYS 244 Cb -0.06 -2.83 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2wof s LYS 244 CO 0.01 0.33 0.01 0.08 -0.92 0.00 0.00 175.35 174.86 2wof s VAL 245 N -2.08 0.34 0.01 3.17 1.01 -0.14 -0.39 120.40 122.32 2wof s VAL 245 Ca 0.36 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2wof s VAL 245 Cb -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2wof s VAL 245 CO 0.31 0.22 0.08 -0.63 0.00 0.00 0.00 175.10 175.08 2wof s ILE 246 N 1.98 4.71 0.08 2.22 -1.09 -0.85 -2.33 121.20 125.92 2wof s ILE 246 Ca 0.05 -0.46 0.07 0.00 -2.23 0.00 0.00 60.65 58.07 2wof s ILE 246 Cb -0.13 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.55 2wof s ILE 246 CO -0.05 0.31 -0.17 -0.44 -1.23 0.00 0.00 174.94 173.36 2wof s SER 247 N -1.85 2.09 0.13 3.58 0.01 -1.26 -1.17 113.70 115.23 2wof s SER 247 Ca 0.24 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.92 2wof s SER 247 Cb -0.12 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 2wof s SER 247 CO 0.15 0.01 -0.09 -0.31 0.41 0.00 0.00 173.24 173.42 2wof s TYR 248 N -1.13 1.11 -0.19 2.43 1.51 -0.49 -1.27 117.35 119.33 2wof s TYR 248 Ca 0.03 -0.82 -0.10 0.00 -1.01 0.00 0.00 57.07 55.16 2wof s TYR 248 Cb -0.10 -0.59 -0.05 0.00 -0.11 0.00 0.00 41.96 41.11 2wof s TYR 248 CO 0.03 -0.01 0.15 -1.17 -1.11 0.00 0.00 175.55 173.44 2wof s LEU 249 N -3.11 4.22 -0.37 -1.29 2.96 -0.10 0.34 118.68 121.33 2wof s LEU 249 Ca 0.15 0.28 -0.28 0.00 -0.22 0.00 0.00 54.13 54.05 2wof s LEU 249 Cb 0.04 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.62 2wof s LEU 249 CO -0.02 0.18 1.05 -0.62 -1.32 0.00 0.00 176.35 175.62 2wof s ASP 250 N 0.32 6.79 -0.10 3.68 -1.08 0.22 -4.64 116.67 121.85 2wof s ASP 250 Ca 0.09 0.78 0.15 0.00 -0.52 0.00 0.00 52.55 53.06 2wof s ASP 250 Cb -0.11 -2.52 0.53 0.00 -1.46 0.00 0.00 42.92 39.35 2wof s ASP 250 CO -0.01 -0.97 1.45 1.33 0.52 0.00 0.00 175.17 177.49 2wof n VAL 251 N 6.14 1.74 -0.92 1.11 0.24 -1.26 -4.91 118.33 120.48 2wof n VAL 251 Ca 0.11 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 2wof n VAL 251 Cb 0.48 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 2wof n VAL 251 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wof n GLY 252 N 0.39 0.72 0.68 7.63 0.00 -1.26 -4.93 105.19 108.41 2wof n GLY 252 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 2wof n GLY 252 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wof n ASP 253 N 0.00 1.94 0.00 1.61 5.68 -1.26 -4.88 116.55 119.63 2wof n ASP 253 Ca 0.00 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 2wof n ASP 253 Cb 0.00 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 2wof n ASP 253 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wof n GLY 254 N 0.83 0.24 2.20 6.12 0.00 -1.26 -3.99 105.19 109.33 2wof n GLY 254 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 2wof n GLY 254 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wof n ASN 255 N -0.47 0.41 0.04 1.61 5.15 -1.26 -4.91 115.26 115.83 2wof n ASN 255 Ca 0.00 -2.77 0.18 0.00 -0.60 0.00 0.00 54.58 51.39 2wof n ASN 255 Cb 0.23 -0.64 0.68 0.00 -0.53 0.00 0.00 39.78 39.53 2wof n ASN 255 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2wof h TYR 256 N 3.84 0.01 -0.44 1.20 -0.00 -1.91 -0.61 116.97 119.06 2wof h TYR 256 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 58.73 58.94 2wof h TYR 256 Cb 0.89 -0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.59 2wof h TYR 256 CO 0.40 0.00 0.56 -1.49 -0.00 0.00 0.00 178.16 177.63 2wof h TRP 257 N 0.01 0.00 -0.28 0.10 4.06 -1.92 0.65 115.95 118.57 2wof h TRP 257 Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 2wof h TRP 257 Cb 0.84 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.00 2wof h TRP 257 CO -0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2wof n ALA 258 N -2.24 2.47 -3.19 1.49 0.00 -0.24 -4.38 120.51 114.42 2wof n ALA 258 Ca 0.08 -0.54 -0.22 0.00 0.00 0.00 0.00 53.44 52.76 2wof n ALA 258 Cb 0.74 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 2wof n ALA 258 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wof n HIS 259 N 0.38 0.79 -2.35 0.00 8.25 0.22 -4.72 115.22 117.79 2wof n HIS 259 Ca 0.12 -3.77 -0.37 0.00 -0.26 0.00 0.00 57.72 53.43 2wof n HIS 259 Cb 0.28 -0.42 -0.02 0.00 1.12 0.00 0.00 29.99 30.95 2wof n HIS 259 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wof s PRO 260 N -2.05 3.94 -0.86 -0.41 0.04 -1.26 -0.93 135.00 133.48 2wof s PRO 260 Ca 0.39 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 63.03 2wof s PRO 260 Cb 0.25 -2.50 0.22 0.00 0.04 0.00 0.00 34.50 32.50 2wof s PRO 260 CO -0.09 -0.38 0.78 0.42 0.04 0.00 0.00 177.00 177.77 2wof s ILE 261 N -1.55 5.27 0.35 0.56 1.01 -0.39 -4.19 121.20 122.26 2wof s ILE 261 Ca 0.60 -2.86 -0.27 0.00 0.00 0.00 0.00 60.65 58.13 2wof s ILE 261 Cb -0.27 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 37.85 2wof s ILE 261 CO 0.33 -1.04 1.15 -0.70 0.00 0.00 0.00 174.94 174.68 2wof s GLU 262 N -0.28 4.29 0.00 2.79 2.56 -1.26 -3.68 118.70 123.12 2wof s GLU 262 Ca 0.21 1.83 0.00 0.00 0.00 0.00 0.00 54.97 57.01 2wof s GLU 262 Cb -0.12 -2.87 0.00 0.00 2.00 0.00 0.00 34.13 33.15 2wof s GLU 262 CO -0.08 -0.11 0.00 0.09 -0.56 0.00 0.00 175.26 174.60 2wof n ASN 263 N 0.50 -2.58 -3.91 -1.70 3.02 -1.26 -4.51 115.26 104.81 2wof n ASN 263 Ca 0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.28 2wof n ASN 263 Cb 0.46 -0.49 -0.16 0.00 -0.61 0.00 0.00 39.78 38.98 2wof n ASN 263 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wof s LEU 264 N 0.00 1.97 -0.07 3.41 2.96 -1.24 -1.13 118.68 124.59 2wof s LEU 264 Ca 0.00 -0.86 0.03 0.00 -0.22 0.00 0.00 54.13 53.08 2wof s LEU 264 Cb 0.00 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.67 2wof s LEU 264 CO 0.00 -0.20 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.97 2wof s VAL 265 N 1.54 1.46 0.06 1.68 1.01 -0.75 -4.45 120.40 120.95 2wof s VAL 265 Ca -0.02 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.33 2wof s VAL 265 Cb -0.17 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2wof s VAL 265 CO -0.07 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.38 2wof s ALA 266 N 0.42 3.03 -0.20 5.51 0.00 -0.98 -0.66 121.76 128.87 2wof s ALA 266 Ca -0.13 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 2wof s ALA 266 Cb -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2wof s ALA 266 CO 0.05 0.64 -0.10 0.08 0.00 0.00 0.00 175.76 176.42 2wof s VAL 267 N -1.13 2.89 -0.14 0.00 1.01 0.52 -0.97 120.40 122.58 2wof s VAL 267 Ca 0.20 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 2wof s VAL 267 Cb -0.11 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2wof s VAL 267 CO 0.12 0.47 -0.02 -0.69 0.00 0.00 0.00 175.10 174.97 2wof s VAL 268 N 1.37 4.03 -0.31 2.92 1.01 0.65 0.44 120.40 130.51 2wof s VAL 268 Ca 0.05 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 2wof s VAL 268 Cb -0.14 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2wof s VAL 268 CO -0.06 0.52 0.30 -0.62 0.00 0.00 0.00 175.10 175.23 2wof s ASP 269 N 0.05 6.13 0.40 3.32 -1.08 -0.22 -2.01 116.67 123.26 2wof s ASP 269 Ca 0.01 -0.12 0.24 0.00 -0.52 0.00 0.00 52.55 52.16 2wof s ASP 269 Cb -0.13 -2.17 0.49 0.00 -1.46 0.00 0.00 42.92 39.65 2wof s ASP 269 CO 0.02 -0.22 1.66 -0.07 0.52 0.00 0.00 175.17 177.09 2wof h LEU 270 N 8.57 0.00 0.12 -1.34 3.38 -1.68 -0.55 115.31 123.81 2wof h LEU 270 Ca -0.32 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.34 2wof h LEU 270 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2wof h LEU 270 CO 0.64 0.00 -1.56 -0.33 0.09 0.00 0.00 178.44 177.27 2wof h GLU 271 N 0.00 0.25 0.00 1.13 4.39 -1.94 -3.20 114.58 115.21 2wof h GLU 271 Ca 0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2wof h GLU 271 Cb 0.92 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2wof h GLU 271 CO 0.00 1.11 0.00 1.04 -1.16 0.00 0.00 179.01 180.00 2wof n GLN 272 N -3.45 0.21 -3.93 2.33 6.02 -1.19 -4.91 117.38 112.45 2wof n GLN 272 Ca -0.17 0.31 -0.26 0.00 -0.01 0.00 0.00 57.00 56.87 2wof n GLN 272 Cb 1.05 -1.82 -0.01 0.00 1.02 0.00 0.00 30.24 30.48 2wof n GLN 272 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wof n LYS 273 N -2.19 -3.14 -3.84 -1.09 5.02 -0.25 -5.00 118.16 107.67 2wof n LYS 273 Ca 0.04 0.41 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 2wof n LYS 273 Cb 0.32 -4.49 -0.05 0.00 -0.02 0.00 0.00 35.03 30.79 2wof n LYS 273 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wof s LYS 274 N -6.51 1.29 0.07 1.97 -2.85 -0.98 -4.97 119.74 107.76 2wof s LYS 274 Ca 0.04 -1.00 -0.31 0.00 -1.00 0.00 0.00 55.97 53.70 2wof s LYS 274 Cb -0.02 0.46 -0.08 0.00 -2.06 0.00 0.00 37.83 36.14 2wof s LYS 274 CO 0.89 -0.52 1.54 0.42 0.10 0.00 0.00 175.35 177.78 2wof s ILE 275 N -3.92 3.19 -0.54 3.79 1.01 -1.26 -1.06 121.20 122.42 2wof s ILE 275 Ca 0.13 0.70 0.06 0.00 0.00 0.00 0.00 60.65 61.54 2wof s ILE 275 Cb 0.01 -3.45 0.18 0.00 0.01 0.00 0.00 42.46 39.21 2wof s ILE 275 CO -0.01 0.01 1.15 1.33 0.00 0.00 0.00 174.94 177.42 2wof n VAL 276 N 4.50 1.02 0.00 2.92 0.24 0.17 -4.91 118.33 122.27 2wof n VAL 276 Ca 0.14 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 2wof n VAL 276 Cb 0.41 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 2wof n VAL 276 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2wof n LYS 277 N 0.08 0.00 -4.81 7.34 4.81 -1.23 -4.97 118.16 119.37 2wof n LYS 277 Ca 0.07 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.18 2wof n LYS 277 Cb 0.36 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.28 2wof n LYS 277 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wof s ILE 278 N 0.00 3.19 -0.08 3.15 1.01 -1.26 -0.36 121.20 126.85 2wof s ILE 278 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.03 2wof s ILE 278 Cb 0.00 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2wof s ILE 278 CO 0.00 0.58 -0.21 -1.61 0.00 0.00 0.00 174.94 173.69 2wof s GLU 279 N -0.53 2.86 -0.06 2.79 2.02 0.16 -5.01 118.70 120.94 2wof s GLU 279 Ca 0.07 -0.84 0.02 0.00 0.02 0.00 0.00 54.97 54.25 2wof s GLU 279 Cb -0.12 -2.31 0.02 0.00 0.10 0.00 0.00 34.13 31.81 2wof s GLU 279 CO 0.02 0.31 -0.10 -1.21 0.02 0.00 0.00 175.26 174.30 2wof s GLU 280 N 0.04 1.38 0.00 1.61 2.02 -1.26 -1.81 118.70 120.69 2wof s GLU 280 Ca -0.09 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2wof s GLU 280 Cb -0.15 -1.20 0.00 0.00 0.10 0.00 0.00 34.13 32.88 2wof s GLU 280 CO 0.05 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.74 2wof n GLY 281 N 3.86 5.80 3.60 -1.39 0.00 -0.28 -5.02 105.19 111.75 2wof n GLY 281 Ca -0.24 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.44 2wof n GLY 281 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wof n PRO 282 N 0.00 0.64 -2.93 1.61 -0.02 -1.26 -4.90 135.00 128.15 2wof n PRO 282 Ca 0.00 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 2wof n PRO 282 Cb 0.00 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.28 2wof n PRO 282 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wof s VAL 283 N -1.69 4.97 -0.13 -1.45 1.01 -1.26 -4.69 120.40 117.15 2wof s VAL 283 Ca 0.74 1.64 0.01 0.00 0.00 0.00 0.00 61.98 64.37 2wof s VAL 283 Cb -0.38 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 31.89 2wof s VAL 283 CO 0.49 0.18 -0.16 -0.69 0.00 0.00 0.00 175.10 174.92 2wof s VAL 284 N 1.15 1.60 0.24 2.92 1.01 -1.26 -5.08 120.40 120.97 2wof s VAL 284 Ca 0.41 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2wof s VAL 284 Cb -0.18 -1.47 -0.14 0.00 0.00 0.00 0.00 36.38 34.59 2wof s VAL 284 CO 0.19 0.46 1.11 -2.65 0.00 0.00 0.00 175.10 174.22 2wof n PRO 285 N 4.40 1.38 -2.08 2.72 -0.02 -1.26 -4.60 135.00 135.54 2wof n PRO 285 Ca -0.18 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 2wof n PRO 285 Cb 0.51 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 2wof n PRO 285 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wof s VAL 286 N -0.64 3.28 0.22 -1.45 1.01 -1.26 -4.77 120.40 116.78 2wof s VAL 286 Ca 0.65 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 2wof s VAL 286 Cb -0.74 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 2wof s VAL 286 CO 0.56 0.02 1.45 -2.84 0.00 0.00 0.00 175.10 174.29 2wof s PRO 287 N 2.03 4.27 -0.10 2.72 0.02 -1.26 -4.91 135.00 137.78 2wof s PRO 287 Ca 0.68 2.28 0.09 0.00 0.02 0.00 0.00 61.00 64.07 2wof s PRO 287 Cb -0.37 -3.14 -0.13 0.00 0.02 0.00 0.00 34.50 30.88 2wof s PRO 287 CO 0.30 -0.45 0.05 -1.33 -0.33 0.00 0.00 177.00 175.24 2wof n MET 288 N 2.85 2.17 -1.69 5.54 2.81 -1.26 -4.50 117.12 123.03 2wof n MET 288 Ca 0.09 -0.01 -0.44 0.00 -1.81 0.00 0.00 57.70 55.53 2wof n MET 288 Cb 0.40 -1.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.62 2wof n MET 288 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2wof n THR 289 N -2.36 0.75 -1.71 2.03 -1.04 -1.26 -4.89 114.28 105.80 2wof n THR 289 Ca -0.16 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 2wof n THR 289 Cb 0.81 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 67.64 2wof n THR 289 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wof n ALA 290 N 2.36 2.62 -3.18 2.41 0.00 -1.26 -4.95 120.51 118.50 2wof n ALA 290 Ca 0.12 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.73 2wof n ALA 290 Cb 0.33 -2.53 -0.05 0.00 0.00 0.00 0.00 19.45 17.20 2wof n ALA 290 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wof n ARG 291 N 4.27 1.14 -1.81 0.00 5.12 -1.26 -5.11 116.66 119.01 2wof n ARG 291 Ca 0.16 -3.51 -0.38 0.00 -1.93 0.00 0.00 57.85 52.20 2wof n ARG 291 Cb 0.35 -1.59 0.05 0.00 -1.16 0.00 0.00 32.46 30.10 2wof n ARG 291 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2wof s PRO 292 N -2.04 2.93 0.00 5.56 0.04 -1.26 -4.77 135.00 135.47 2wof s PRO 292 Ca 0.39 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.56 2wof s PRO 292 Cb 0.26 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2wof s PRO 292 CO -0.09 -1.32 0.39 1.97 0.04 0.00 0.00 177.00 177.99 2wof n PHE 293 N -1.38 0.00 0.55 0.56 1.16 -1.26 -4.76 117.46 112.33 2wof n PHE 293 Ca 0.13 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.79 2wof n PHE 293 Cb 0.47 0.00 0.24 0.00 -1.61 0.00 0.00 39.48 38.58 2wof n PHE 293 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2wof n ASP 294 N -0.25 2.55 0.00 5.98 5.75 -1.26 -4.94 116.55 124.38 2wof n ASP 294 Ca 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 2wof n ASP 294 Cb 0.02 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2wof n ASP 294 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wof n GLY 295 N 1.28 1.02 0.35 6.12 0.00 -1.26 -4.90 105.19 107.80 2wof n GLY 295 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 2wof n GLY 295 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wof h ARG 296 N 3.60 0.00 -0.20 1.61 0.11 -1.94 -0.76 114.38 116.79 2wof h ARG 296 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wof h ARG 296 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2wof h ARG 296 CO 0.00 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 179.67 2wof n ASP 297 N -3.58 3.40 -4.23 0.08 5.75 -1.26 -5.02 116.55 111.69 2wof n ASP 297 Ca 0.02 -2.91 -0.13 0.00 -0.01 0.00 0.00 54.79 51.77 2wof n ASP 297 Cb 0.39 -0.47 -0.10 0.00 -1.03 0.00 0.00 41.12 39.91 2wof n ASP 297 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2wof s ARG 298 N -2.61 1.08 -0.07 0.11 1.81 -0.29 -5.14 118.95 113.84 2wof s ARG 298 Ca 0.37 -1.52 -0.01 0.00 -1.72 0.00 0.00 55.73 52.85 2wof s ARG 298 Cb 0.30 -0.19 0.03 0.00 -0.45 0.00 0.00 34.95 34.63 2wof s ARG 298 CO 0.08 -0.15 -0.01 0.08 -0.68 0.00 0.00 175.30 174.62 2wof s VAL 299 N -3.71 0.44 0.44 3.52 1.01 -1.26 -4.98 120.40 115.86 2wof s VAL 299 Ca 0.24 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 2wof s VAL 299 Cb 0.06 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.79 2wof s VAL 299 CO 0.03 0.25 1.00 0.00 0.00 0.00 0.00 175.10 176.38 2wof s ALA 300 N 1.66 2.99 0.48 5.51 0.00 -1.26 -5.00 121.76 126.14 2wof s ALA 300 Ca 0.00 0.53 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 2wof s ALA 300 Cb -0.13 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 2wof s ALA 300 CO -0.04 -0.08 1.06 -1.25 0.00 0.00 0.00 175.76 175.45 2wof s PRO 301 N -3.04 3.79 0.57 0.00 0.04 -1.26 -4.99 135.00 130.11 2wof s PRO 301 Ca 0.63 1.43 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 2wof s PRO 301 Cb -0.14 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2wof s PRO 301 CO 0.18 -0.45 1.13 0.00 0.04 0.00 0.00 177.00 177.90 2wof s ALA 302 N -1.89 2.63 -0.12 8.56 0.00 -1.26 -5.03 121.76 124.65 2wof s ALA 302 Ca 0.67 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 53.27 2wof s ALA 302 Cb -0.18 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.61 2wof s ALA 302 CO 0.22 -0.91 0.37 0.08 0.00 0.00 0.00 175.76 175.52 2wof s VAL 303 N -1.88 0.01 0.38 0.00 1.01 -1.26 -5.14 120.40 113.51 2wof s VAL 303 Ca 0.72 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.38 2wof s VAL 303 Cb -0.24 -0.54 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 2wof s VAL 303 CO 0.31 -0.04 1.15 -0.54 0.00 0.00 0.00 175.10 175.98 2wof s LYS 304 N -0.02 4.16 0.31 2.72 -0.14 -1.26 -4.99 119.74 120.52 2wof s LYS 304 Ca -0.02 1.81 -0.29 0.00 -1.36 0.00 0.00 55.97 56.11 2wof s LYS 304 Cb -0.03 -2.75 -0.11 0.00 -1.68 0.00 0.00 37.83 33.26 2wof s LYS 304 CO 0.01 -0.22 1.54 -1.25 -0.76 0.00 0.00 175.35 174.67 2wof s PRO 305 N -2.18 4.14 -0.07 -1.68 0.04 -1.26 -5.04 135.00 128.95 2wof s PRO 305 Ca 0.55 2.53 0.05 0.00 0.04 0.00 0.00 61.00 64.18 2wof s PRO 305 Cb -0.30 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 2wof s PRO 305 CO 0.38 -0.57 -0.24 1.41 0.04 0.00 0.00 177.00 178.02 2wof s MET 306 N -0.92 2.70 0.03 4.56 1.75 -1.26 -5.14 119.30 121.01 2wof s MET 306 Ca 0.60 -0.88 0.06 0.00 -1.25 0.00 0.00 55.69 54.22 2wof s MET 306 Cb -0.47 -2.18 -0.02 0.00 2.84 0.00 0.00 34.83 35.01 2wof s MET 306 CO 0.51 0.29 -0.17 -0.65 -0.65 0.00 0.00 175.02 174.36 2wof s GLN 307 N 0.05 1.18 -0.33 4.11 -0.21 -1.26 -5.00 119.66 118.20 2wof s GLN 307 Ca -0.10 -0.79 -0.06 0.00 0.02 0.00 0.00 55.36 54.44 2wof s GLN 307 Cb -0.15 -1.22 0.04 0.00 1.00 0.00 0.00 33.01 32.67 2wof s GLN 307 CO 0.06 0.31 0.09 0.42 -2.12 0.00 0.00 175.29 174.05 2wof s ILE 308 N -0.73 3.67 0.06 1.08 1.01 -1.26 -5.09 121.20 119.94 2wof s ILE 308 Ca 0.05 -1.18 0.06 0.00 0.00 0.00 0.00 60.65 59.58 2wof s ILE 308 Cb -0.08 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2wof s ILE 308 CO 0.01 -0.18 -0.13 0.27 0.00 0.00 0.00 174.94 174.92 2wof s ILE 309 N 1.38 3.20 -0.46 2.92 -4.36 -1.26 -3.80 121.20 118.82 2wof s ILE 309 Ca -0.02 -1.16 0.03 0.00 -0.26 0.00 0.00 60.65 59.24 2wof s ILE 309 Cb -0.20 -2.43 0.15 0.00 1.25 0.00 0.00 42.46 41.24 2wof s ILE 309 CO 0.02 0.24 0.30 -1.61 0.24 0.00 0.00 174.94 174.13 2wof s GLU 310 N -1.79 1.24 0.00 0.37 2.02 -1.26 -5.01 118.70 114.27 2wof s GLU 310 Ca 0.18 -2.12 0.29 0.00 0.02 0.00 0.00 54.97 53.34 2wof s GLU 310 Cb -0.11 -2.09 1.24 0.00 0.10 0.00 0.00 34.13 33.27 2wof s GLU 310 CO 0.09 -1.25 1.93 -0.35 0.02 0.00 0.00 175.26 175.71 2wof n PRO 311 N 3.21 0.01 -0.44 0.39 -0.04 -1.26 -1.37 135.00 135.49 2wof n PRO 311 Ca 0.16 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.71 2wof n PRO 311 Cb 0.38 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.63 2wof n PRO 311 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wof n GLU 312 N -1.50 3.26 0.00 0.54 1.02 -1.26 -3.04 120.64 119.65 2wof n GLU 312 Ca 0.07 -2.64 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 2wof n GLU 312 Cb 0.34 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2wof n GLU 312 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wof n GLY 313 N 0.82 -2.02 3.92 0.62 0.00 -0.47 -4.80 105.19 103.25 2wof n GLY 313 Ca 0.21 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 2wof n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wof s LYS 314 N -0.11 3.56 0.18 1.61 -0.14 -1.26 -4.83 119.74 118.76 2wof s LYS 314 Ca 0.00 -0.07 0.25 0.00 -1.36 0.00 0.00 55.97 54.79 2wof s LYS 314 Cb 0.00 -2.59 0.54 0.00 -1.68 0.00 0.00 37.83 34.10 2wof s LYS 314 CO 0.00 0.10 1.53 -0.91 -0.76 0.00 0.00 175.35 175.31 2wof h ASN 315 N 1.03 0.00 -3.07 2.83 2.35 -1.95 -3.46 115.58 113.31 2wof h ASN 315 Ca -0.48 -0.10 -0.52 0.00 -0.55 0.00 0.00 56.30 54.65 2wof h ASN 315 Cb 1.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 2wof h ASN 315 CO 0.63 0.05 -0.19 -0.72 -1.65 0.00 0.00 177.43 175.55 2wof s TYR 316 N -3.15 3.48 -0.03 1.19 1.13 -1.26 -4.50 117.35 114.22 2wof s TYR 316 Ca 0.08 0.53 0.05 0.00 -1.41 0.00 0.00 57.07 56.32 2wof s TYR 316 Cb 0.12 -2.02 -0.01 0.00 -1.10 0.00 0.00 41.96 38.96 2wof s TYR 316 CO 0.66 0.22 -0.18 0.99 -2.51 0.00 0.00 175.55 174.74 2wof s THR 317 N -2.06 1.43 -0.30 -3.49 2.01 -0.71 -4.69 115.64 107.82 2wof s THR 317 Ca 0.42 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.71 2wof s THR 317 Cb -0.11 -1.20 0.08 0.00 0.01 0.00 0.00 72.50 71.28 2wof s THR 317 CO 0.30 0.41 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.00 2wof s ILE 318 N -0.23 2.12 -0.46 1.82 1.01 0.73 -0.94 121.20 125.25 2wof s ILE 318 Ca 0.02 -1.99 -0.10 0.00 0.00 0.00 0.00 60.65 58.59 2wof s ILE 318 Cb -0.09 -2.44 0.11 0.00 0.01 0.00 0.00 42.46 40.05 2wof s ILE 318 CO 0.01 -0.38 0.33 -0.89 0.00 0.00 0.00 174.94 174.00 2wof s THR 319 N 1.04 4.31 0.00 2.92 2.01 0.03 -2.03 115.64 123.92 2wof s THR 319 Ca 0.03 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.41 2wof s THR 319 Cb -0.19 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2wof s THR 319 CO -0.08 -0.69 0.00 0.61 -0.69 0.00 0.00 174.62 173.77 2wof n GLY 320 N 4.94 2.99 0.87 4.40 0.00 -1.18 -1.56 105.19 115.65 2wof n GLY 320 Ca -0.09 0.25 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2wof n GLY 320 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wof n ASP 321 N 10.31 2.91 -4.71 1.61 8.00 -1.26 -4.99 116.55 128.42 2wof n ASP 321 Ca 0.00 -1.86 -0.41 0.00 0.71 0.00 0.00 54.79 53.23 2wof n ASP 321 Cb 0.00 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 40.94 2wof n ASP 321 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wof s MET 322 N -1.42 4.47 -0.13 -1.24 -1.94 -0.60 -1.42 119.30 117.02 2wof s MET 322 Ca 0.28 1.12 -0.01 0.00 -1.71 0.00 0.00 55.69 55.36 2wof s MET 322 Cb 0.18 -3.47 -0.02 0.00 2.01 0.00 0.00 34.83 33.53 2wof s MET 322 CO 0.25 -0.03 -0.08 0.42 -0.01 0.00 0.00 175.02 175.57 2wof s ILE 323 N 1.03 3.49 -0.12 2.53 1.01 0.11 -0.79 121.20 128.46 2wof s ILE 323 Ca 0.44 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.58 2wof s ILE 323 Cb -0.19 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 2wof s ILE 323 CO 0.21 0.52 -0.16 -2.28 0.00 0.00 0.00 174.94 173.23 2wof s HIS 324 N 0.18 2.74 -0.26 3.97 5.65 -0.11 -1.91 115.29 125.54 2wof s HIS 324 Ca -0.05 -0.78 -0.04 0.00 0.25 0.00 0.00 55.06 54.44 2wof s HIS 324 Cb -0.14 -1.81 0.14 0.00 -1.18 0.00 0.00 32.58 29.59 2wof s HIS 324 CO 0.04 -0.28 0.51 -0.46 -0.65 0.00 0.00 174.74 173.89 2wof s TRP 325 N 0.37 -1.18 0.00 3.88 -0.00 -0.72 -1.74 118.94 119.55 2wof s TRP 325 Ca -0.13 1.54 0.00 0.00 -0.00 0.00 0.00 56.10 57.51 2wof s TRP 325 Cb -0.16 0.41 0.00 0.00 -0.00 0.00 0.00 33.47 33.71 2wof s TRP 325 CO 0.06 -0.72 0.00 0.54 -0.00 0.00 0.00 176.95 176.83 2wof n ARG 326 N 5.41 0.00 -0.02 5.86 5.12 -1.26 -0.96 116.66 130.81 2wof n ARG 326 Ca -0.05 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.00 2wof n ARG 326 Cb 0.50 0.00 0.60 0.00 -1.16 0.00 0.00 32.46 32.40 2wof n ARG 326 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2wof n ASN 327 N 5.41 0.93 -4.84 0.55 3.02 -1.26 -4.88 115.26 114.20 2wof n ASN 327 Ca 0.00 -1.41 -0.38 0.00 -0.03 0.00 0.00 54.58 52.76 2wof n ASN 327 Cb 0.00 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 2wof n ASN 327 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2wof s TRP 328 N -1.95 3.72 -0.02 3.10 0.52 -0.13 0.53 118.94 124.70 2wof s TRP 328 Ca 0.38 1.01 0.02 0.00 0.02 0.00 0.00 56.10 57.53 2wof s TRP 328 Cb 0.19 -2.31 0.00 0.00 -1.15 0.00 0.00 33.47 30.21 2wof s TRP 328 CO 0.31 0.61 -0.07 -0.51 0.02 0.00 0.00 176.95 177.30 2wof s ASP 329 N -1.21 0.99 0.25 2.95 1.11 -0.85 -1.76 116.67 118.16 2wof s ASP 329 Ca 0.26 -0.15 -0.21 0.00 0.18 0.00 0.00 52.55 52.63 2wof s ASP 329 Cb -0.17 -0.24 0.03 0.00 1.07 0.00 0.00 42.92 43.62 2wof s ASP 329 CO 0.15 0.06 0.68 0.72 1.18 0.00 0.00 175.17 177.96 2wof s PHE 330 N 0.15 -0.24 -0.06 4.23 -0.71 -0.80 -1.42 117.98 119.12 2wof s PHE 330 Ca -0.02 -0.16 0.03 0.00 -1.04 0.00 0.00 56.93 55.74 2wof s PHE 330 Cb -0.07 0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 2wof s PHE 330 CO 0.00 -1.15 -0.16 -1.58 -1.34 0.00 0.00 175.22 171.00 2wof s HIS 331 N -3.89 2.67 -0.17 3.49 5.65 0.76 0.04 115.29 123.85 2wof s HIS 331 Ca 0.09 -0.30 0.00 0.00 0.25 0.00 0.00 55.06 55.10 2wof s HIS 331 Cb -0.05 -1.65 0.04 0.00 -1.18 0.00 0.00 32.58 29.73 2wof s HIS 331 CO 0.03 0.07 -0.10 -1.17 -0.65 0.00 0.00 174.74 172.92 2wof s LEU 332 N -0.49 1.88 0.25 8.88 2.96 -0.51 -0.48 118.68 131.18 2wof s LEU 332 Ca 0.06 -0.68 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 2wof s LEU 332 Cb -0.12 -1.12 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 2wof s LEU 332 CO 0.02 -0.13 0.04 -0.94 -1.32 0.00 0.00 176.35 174.02 2wof s SER 333 N 1.50 1.64 -0.10 3.68 1.04 -0.44 -4.76 113.70 116.26 2wof s SER 333 Ca 0.01 -1.30 0.02 0.00 0.48 0.00 0.00 55.95 55.17 2wof s SER 333 Cb -0.15 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 2wof s SER 333 CO -0.09 -0.61 -0.17 -0.32 0.98 0.00 0.00 173.24 173.03 2wof s MET 334 N -3.93 3.02 -0.00 4.02 1.75 -1.26 -0.70 119.30 122.19 2wof s MET 334 Ca 0.33 -0.75 0.06 0.00 -1.25 0.00 0.00 55.69 54.07 2wof s MET 334 Cb 0.07 -2.46 -0.03 0.00 2.84 0.00 0.00 34.83 35.26 2wof s MET 334 CO 0.11 0.32 -0.17 1.21 -0.65 0.00 0.00 175.02 175.84 2wof s ASN 335 N 0.04 3.82 0.44 1.11 3.84 0.45 -4.90 114.94 119.73 2wof s ASN 335 Ca -0.06 -0.33 0.23 0.00 0.21 0.00 0.00 52.86 52.91 2wof s ASN 335 Cb -0.15 -0.68 0.98 0.00 -0.55 0.00 0.00 41.25 40.85 2wof s ASN 335 CO 0.05 0.30 1.86 0.77 -2.79 0.00 0.00 177.10 177.29 2wof h SER 336 N 4.99 0.00 0.00 -4.21 4.64 -1.91 -1.11 113.55 115.95 2wof h SER 336 Ca -0.47 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.78 2wof h SER 336 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2wof h SER 336 CO 0.49 0.24 -0.53 -0.09 -0.87 0.00 0.00 176.83 176.07 2wof h ARG 337 N 0.00 0.00 -0.01 4.77 2.43 -1.89 -1.09 114.38 118.59 2wof h ARG 337 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wof h ARG 337 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2wof h ARG 337 CO 0.03 0.58 -0.17 1.33 -1.51 0.00 0.00 179.97 180.24 2wof n VAL 338 N -4.58 0.00 -1.39 0.20 0.24 -1.24 -1.78 118.33 109.77 2wof n VAL 338 Ca -0.15 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 2wof n VAL 338 Cb 0.41 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 2wof n VAL 338 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wof n GLY 339 N 0.91 0.56 3.77 7.63 0.00 -0.42 -4.45 105.19 113.19 2wof n GLY 339 Ca 0.06 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 2wof n GLY 339 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wof s PRO 340 N 0.00 4.42 -0.08 1.61 0.04 -1.26 -0.42 135.00 139.31 2wof s PRO 340 Ca 0.00 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.73 2wof s PRO 340 Cb 0.00 -2.89 0.01 0.00 0.04 0.00 0.00 34.50 31.66 2wof s PRO 340 CO 0.00 0.05 -0.16 -1.64 0.04 0.00 0.00 177.00 175.29 2wof s MET 341 N -1.93 2.14 -0.21 4.56 -1.94 0.12 -4.25 119.30 117.79 2wof s MET 341 Ca 0.51 -0.56 -0.01 0.00 -1.71 0.00 0.00 55.69 53.92 2wof s MET 341 Cb -0.27 -1.70 0.02 0.00 2.01 0.00 0.00 34.83 34.88 2wof s MET 341 CO 0.34 0.07 -0.13 0.42 -0.01 0.00 0.00 175.02 175.71 2wof s ILE 342 N 0.57 2.54 0.15 2.53 1.01 -0.06 -1.33 121.20 126.62 2wof s ILE 342 Ca -0.16 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.65 2wof s ILE 342 Cb -0.16 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 2wof s ILE 342 CO 0.05 0.43 -0.06 -0.44 0.00 0.00 0.00 174.94 174.92 2wof s SER 343 N 1.34 1.50 -1.25 3.58 0.01 0.37 -0.67 113.70 118.57 2wof s SER 343 Ca 0.04 -1.07 -0.31 0.00 1.31 0.00 0.00 55.95 55.91 2wof s SER 343 Cb -0.14 0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.18 2wof s SER 343 CO -0.09 -0.44 0.62 0.35 0.41 0.00 0.00 173.24 174.09 2wof n THR 344 N -0.20 -2.67 -3.03 1.44 -2.24 0.13 -0.17 114.28 107.54 2wof n THR 344 Ca -0.09 -0.61 -0.40 0.00 -2.27 0.00 0.00 64.05 60.68 2wof n THR 344 Cb 0.62 -2.24 -0.05 0.00 -2.10 0.00 0.00 70.33 66.56 2wof n THR 344 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wof s VAL 345 N -3.61 4.96 0.08 2.28 1.01 0.16 -4.28 120.40 121.00 2wof s VAL 345 Ca 0.45 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.93 2wof s VAL 345 Cb -0.24 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2wof s VAL 345 CO 0.97 0.29 -0.07 0.42 0.00 0.00 0.00 175.10 176.71 2wof s THR 346 N 0.55 0.61 -0.17 3.92 -4.23 -0.51 -1.44 115.64 114.38 2wof s THR 346 Ca 0.38 -1.69 -0.02 0.00 -1.18 0.00 0.00 61.69 59.18 2wof s THR 346 Cb -0.18 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.27 2wof s THR 346 CO 0.19 -0.75 -0.09 -0.47 -0.54 0.00 0.00 174.62 172.97 2wof s TYR 347 N -3.04 2.90 -0.66 3.99 6.14 -0.11 -2.01 117.35 124.56 2wof s TYR 347 Ca 0.05 -0.72 -0.27 0.00 0.64 0.00 0.00 57.07 56.77 2wof s TYR 347 Cb 0.01 -1.95 0.03 0.00 0.42 0.00 0.00 41.96 40.47 2wof s TYR 347 CO -0.04 -0.32 1.22 1.21 0.64 0.00 0.00 175.55 178.27 2wof s ASN 348 N 0.77 6.29 -0.67 4.32 3.84 0.19 -1.01 114.94 128.66 2wof s ASN 348 Ca -0.04 -0.23 -0.17 0.00 0.21 0.00 0.00 52.86 52.63 2wof s ASN 348 Cb -0.15 -2.55 0.14 0.00 -0.55 0.00 0.00 41.25 38.14 2wof s ASN 348 CO 0.01 -1.66 0.72 -0.62 -2.79 0.00 0.00 177.10 172.76 2wof s ASP 349 N 3.38 6.36 -1.61 -4.21 -1.08 0.27 -4.50 116.67 115.28 2wof s ASP 349 Ca 0.38 -1.87 -0.14 0.00 -0.52 0.00 0.00 52.55 50.39 2wof s ASP 349 Cb -0.08 -2.27 0.11 0.00 -1.46 0.00 0.00 42.92 39.22 2wof s ASP 349 CO 0.19 -0.93 0.78 -3.20 0.52 0.00 0.00 175.17 172.54 2wof n ASN 350 N 5.56 -3.17 0.00 -0.34 5.15 -1.26 -1.19 115.26 120.01 2wof n ASN 350 Ca -0.02 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 2wof n ASN 350 Cb 0.44 -3.09 0.00 0.00 -0.53 0.00 0.00 39.78 36.59 2wof n ASN 350 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wof n GLY 351 N -1.56 2.52 3.25 8.20 0.00 -1.26 -5.06 105.19 111.27 2wof n GLY 351 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2wof n GLY 351 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wof s THR 352 N -2.38 2.98 -0.23 2.61 2.01 -0.33 -5.06 115.64 115.24 2wof s THR 352 Ca 0.00 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2wof s THR 352 Cb 0.00 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 2wof s THR 352 CO 0.00 0.42 1.49 -0.54 -0.69 0.00 0.00 174.62 175.31 2wof s LYS 353 N 1.41 3.90 -0.08 4.92 1.02 -1.26 -0.57 119.74 129.08 2wof s LYS 353 Ca 0.05 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.62 2wof s LYS 353 Cb -0.14 -3.96 -0.03 0.00 -0.52 0.00 0.00 37.83 33.18 2wof s LYS 353 CO -0.06 -1.16 -0.07 1.03 -0.92 0.00 0.00 175.35 174.17 2wof s ARG 354 N 4.38 2.85 0.32 1.68 0.52 -0.18 -4.93 118.95 123.58 2wof s ARG 354 Ca 0.66 -0.55 -0.28 0.00 -0.52 0.00 0.00 55.73 55.03 2wof s ARG 354 Cb -0.23 -2.62 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 2wof s ARG 354 CO 0.26 0.61 1.19 0.15 0.02 0.00 0.00 175.30 177.53 2wof s LYS 355 N -0.67 4.42 0.08 3.54 1.02 -1.26 -0.93 119.74 125.93 2wof s LYS 355 Ca 0.10 1.96 0.00 0.00 0.02 0.00 0.00 55.97 58.05 2wof s LYS 355 Cb -0.11 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 2wof s LYS 355 CO 0.02 -0.04 0.00 0.28 -0.92 0.00 0.00 175.35 174.69 2wof n VAL 356 N 0.82 0.59 -3.70 3.17 0.31 -0.52 -0.56 118.33 118.44 2wof n VAL 356 Ca 0.00 0.19 -0.18 0.00 -0.01 0.00 0.00 64.34 64.34 2wof n VAL 356 Cb 0.44 -1.38 -0.17 0.00 -0.91 0.00 0.00 33.84 31.82 2wof n VAL 356 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2wof s MET 357 N -2.00 -0.06 -0.02 5.55 -2.45 -1.10 -0.96 119.30 118.26 2wof s MET 357 Ca 0.00 0.35 -0.23 0.00 -1.25 0.00 0.00 55.69 54.56 2wof s MET 357 Cb 0.00 -0.43 -0.22 0.00 1.25 0.00 0.00 34.83 35.44 2wof s MET 357 CO 0.00 -0.29 1.10 -0.92 1.05 0.00 0.00 175.02 175.97 2wof h TYR 358 N 8.14 0.35 -2.46 4.11 3.20 -1.09 0.47 116.97 129.68 2wof h TYR 358 Ca -0.21 -0.17 -0.08 0.00 3.14 0.00 0.00 58.73 61.41 2wof h TYR 358 Cb 1.12 -0.05 -0.24 0.00 1.54 0.00 0.00 36.73 39.10 2wof h TYR 358 CO 0.48 0.93 -0.16 -1.21 -1.64 0.00 0.00 178.16 176.57 2wof s GLU 359 N -3.38 0.55 0.00 1.82 2.02 -1.17 -0.70 118.70 117.84 2wof s GLU 359 Ca -0.15 0.83 0.02 0.00 0.02 0.00 0.00 54.97 55.69 2wof s GLU 359 Cb 0.02 0.15 -0.01 0.00 0.10 0.00 0.00 34.13 34.40 2wof s GLU 359 CO 0.76 -0.12 -0.05 0.20 0.02 0.00 0.00 175.26 176.07 2wof s GLY 360 N 0.91 0.26 0.30 -1.39 0.00 0.15 -0.39 107.32 107.16 2wof s GLY 360 Ca -0.05 -0.27 -0.20 0.00 0.00 0.00 0.00 44.72 44.21 2wof s GLY 360 CO -0.08 -0.24 0.72 -1.35 0.00 0.00 0.00 173.10 172.15 2wof s SER 361 N -0.27 -0.20 0.22 1.64 1.04 -0.78 -0.88 113.70 114.48 2wof s SER 361 Ca 0.01 -0.72 -0.32 0.00 0.48 0.00 0.00 55.95 55.40 2wof s SER 361 Cb -0.03 0.74 -0.13 0.00 0.10 0.00 0.00 66.02 66.70 2wof s SER 361 CO -0.00 -1.39 1.48 -0.11 0.98 0.00 0.00 173.24 174.20 2wof n LEU 362 N -0.47 3.23 -0.06 2.42 7.94 -1.26 -1.85 117.00 126.95 2wof n LEU 362 Ca -0.05 1.12 -0.07 0.00 -1.11 0.00 0.00 56.01 55.91 2wof n LEU 362 Cb 0.59 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 43.04 2wof n LEU 362 CO 0.17 -0.35 0.12 1.23 -1.11 0.00 0.00 177.39 177.44 2wof h GLY 363 N 4.85 0.00 -3.28 -3.96 0.00 -1.14 -3.43 103.07 96.12 2wof h GLY 363 Ca -0.45 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.22 2wof h GLY 363 CO 0.81 0.00 0.92 -0.32 0.00 0.00 0.00 176.54 177.94 2wof s GLY 364 N -3.92 -0.38 0.13 4.60 0.00 -1.08 -4.43 107.32 102.24 2wof s GLY 364 Ca -0.10 1.21 -0.06 0.00 0.00 0.00 0.00 44.72 45.77 2wof s GLY 364 CO 0.32 0.32 0.18 -3.16 0.00 0.00 0.00 173.10 170.77 2wof s MET 365 N -2.20 0.97 -0.05 2.90 0.23 -1.26 -1.36 119.30 118.53 2wof s MET 365 Ca 0.13 -1.18 -0.05 0.00 -1.03 0.00 0.00 55.69 53.57 2wof s MET 365 Cb 0.04 0.32 0.01 0.00 -1.53 0.00 0.00 34.83 33.67 2wof s MET 365 CO -0.05 -0.32 0.13 -1.50 -2.03 0.00 0.00 175.02 171.26 2wof s ILE 366 N -3.95 0.01 -0.56 3.16 2.07 -0.50 -3.34 121.20 118.08 2wof s ILE 366 Ca 0.14 -0.04 0.04 0.00 -1.41 0.00 0.00 60.65 59.38 2wof s ILE 366 Cb 0.05 -0.20 0.15 0.00 0.13 0.00 0.00 42.46 42.59 2wof s ILE 366 CO -0.03 -0.02 0.36 -0.69 -1.91 0.00 0.00 174.94 172.64 2wof s VAL 367 N -0.02 2.20 0.01 4.00 1.01 0.54 -1.37 120.40 126.76 2wof s VAL 367 Ca -0.01 -3.45 -0.13 0.00 0.00 0.00 0.00 61.98 58.38 2wof s VAL 367 Cb -0.01 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 2wof s VAL 367 CO 0.00 -0.95 0.40 -2.16 0.00 0.00 0.00 175.10 172.39 2wof s PRO 368 N -0.57 3.87 0.29 2.72 0.04 -1.23 -2.04 135.00 138.08 2wof s PRO 368 Ca 0.22 0.35 0.07 0.00 0.04 0.00 0.00 61.00 61.67 2wof s PRO 368 Cb -0.14 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2wof s PRO 368 CO -0.09 0.67 0.29 0.71 0.04 0.00 0.00 177.00 178.62 2wof s TYR 369 N -1.14 3.07 -0.22 0.56 1.51 -0.92 -1.96 117.35 118.25 2wof s TYR 369 Ca 0.25 -0.19 0.16 0.00 -1.01 0.00 0.00 57.07 56.28 2wof s TYR 369 Cb -0.16 -1.65 0.38 0.00 -0.11 0.00 0.00 41.96 40.42 2wof s TYR 369 CO 0.14 0.31 1.28 0.41 -1.11 0.00 0.00 175.55 176.57 2wof n GLY 370 N -1.34 4.12 3.49 0.71 0.00 -0.95 -4.95 105.19 106.27 2wof n GLY 370 Ca -0.05 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 2wof n GLY 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wof s ASP 371 N -2.09 4.72 0.03 1.61 -1.08 -1.26 -4.98 116.67 113.62 2wof s ASP 371 Ca 0.33 -0.15 0.27 0.00 -0.52 0.00 0.00 52.55 52.48 2wof s ASP 371 Cb 0.27 -1.77 0.83 0.00 -1.46 0.00 0.00 42.92 40.79 2wof s ASP 371 CO 0.07 0.17 1.65 -0.81 0.52 0.00 0.00 175.17 176.77 2wof n PRO 372 N 3.54 0.05 -0.65 4.34 -0.04 -1.26 -2.89 135.00 138.09 2wof n PRO 372 Ca -0.17 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.02 2wof n PRO 372 Cb 0.52 -1.55 0.26 0.00 -0.04 0.00 0.00 33.50 32.70 2wof n PRO 372 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wof s ASP 373 N -3.26 0.19 0.24 3.54 1.01 -1.26 -4.29 116.67 112.84 2wof s ASP 373 Ca 0.12 0.99 -0.03 0.00 0.71 0.00 0.00 52.55 54.33 2wof s ASP 373 Cb 0.17 -1.46 0.28 0.00 1.01 0.00 0.00 42.92 42.92 2wof s ASP 373 CO 0.62 -4.62 1.72 -0.29 0.21 0.00 0.00 175.17 172.82 2wof h ILE 374 N -2.91 1.25 -0.06 0.77 6.09 -1.96 -1.54 117.51 119.15 2wof h ILE 374 Ca -0.50 -1.09 0.00 0.00 -1.37 0.00 0.00 64.86 61.90 2wof h ILE 374 Cb 1.33 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.56 2wof h ILE 374 CO 0.38 0.38 0.00 0.61 -3.07 0.00 0.00 178.15 176.45 2wof n GLY 375 N -0.54 -0.50 0.00 8.18 0.00 -1.26 -4.38 105.19 106.69 2wof n GLY 375 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2wof n GLY 375 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wof n TRP 376 N -0.37 0.00 0.24 1.61 7.02 -0.72 -4.88 117.44 120.34 2wof n TRP 376 Ca 0.16 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.72 2wof n TRP 376 Cb 0.17 0.00 0.59 0.00 -2.42 0.00 0.00 31.31 29.66 2wof n TRP 376 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2wof h TYR 377 N 0.00 0.00 -0.01 -5.99 -0.00 -1.18 -1.07 116.97 108.73 2wof h TYR 377 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2wof h TYR 377 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.00 2wof h TYR 377 CO 0.00 0.18 -0.49 1.97 -0.00 0.00 0.00 178.16 179.82 2wof n PHE 378 N -3.92 0.00 -2.52 0.10 -1.74 -1.26 -4.97 117.46 103.15 2wof n PHE 378 Ca -0.02 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.44 2wof n PHE 378 Cb 0.27 -0.04 -0.02 0.00 1.52 0.00 0.00 39.48 41.21 2wof n PHE 378 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2wof s LYS 379 N -2.57 3.78 -0.29 3.97 2.20 -0.40 -4.63 119.74 121.80 2wof s LYS 379 Ca 0.18 0.86 0.01 0.00 -0.36 0.00 0.00 55.97 56.66 2wof s LYS 379 Cb 0.18 -3.90 0.18 0.00 -1.51 0.00 0.00 37.83 32.78 2wof s LYS 379 CO 0.60 -1.30 0.56 0.00 -0.36 0.00 0.00 175.35 174.85 2wof s ALA 380 N 4.53 -2.08 -0.24 3.13 0.00 -1.26 -2.17 121.76 123.67 2wof s ALA 380 Ca 0.52 1.43 -0.26 0.00 0.00 0.00 0.00 51.96 53.65 2wof s ALA 380 Cb -0.11 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2wof s ALA 380 CO 0.28 -1.47 0.90 0.71 0.00 0.00 0.00 175.76 176.18 2wof s TYR 381 N 2.79 3.31 -0.83 0.00 1.51 -0.87 -4.85 117.35 118.42 2wof s TYR 381 Ca 0.16 1.24 -0.16 0.00 -1.01 0.00 0.00 57.07 57.30 2wof s TYR 381 Cb -0.14 -3.15 0.18 0.00 -0.11 0.00 0.00 41.96 38.75 2wof s TYR 381 CO -0.22 -0.44 0.86 -0.51 -1.11 0.00 0.00 175.55 174.12 2wof s LEU 382 N 2.99 6.15 0.12 -1.29 1.43 -1.26 -0.34 118.68 126.48 2wof s LEU 382 Ca 0.38 -2.38 -0.15 0.00 -1.03 0.00 0.00 54.13 50.95 2wof s LEU 382 Cb -0.15 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 2wof s LEU 382 CO 0.07 -0.76 1.56 0.44 0.23 0.00 0.00 176.35 177.89 2wof h ASP 383 N 8.22 0.67 0.14 2.29 3.32 -1.94 0.78 116.42 129.90 2wof h ASP 383 Ca 0.08 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 2wof h ASP 383 Cb 1.04 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2wof h ASP 383 CO 0.89 0.82 -0.07 0.77 -1.72 0.00 0.00 179.24 179.93 2wof h SER 384 N 0.50 -0.16 -0.23 6.45 4.64 -1.82 -2.29 113.55 120.63 2wof h SER 384 Ca 0.11 -0.35 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 2wof h SER 384 Cb 0.48 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2wof h SER 384 CO 0.02 0.43 0.08 1.23 -0.87 0.00 0.00 176.83 177.72 2wof h GLY 385 N -0.92 0.37 1.24 -0.77 0.00 -1.82 0.46 103.07 101.64 2wof h GLY 385 Ca -0.02 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 2wof h GLY 385 CO 0.03 0.20 -1.15 -0.55 0.00 0.00 0.00 176.54 175.07 2wof h ASP 386 N 0.21 0.00 0.00 0.19 3.32 -1.02 -3.42 116.42 115.70 2wof h ASP 386 Ca 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2wof h ASP 386 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2wof h ASP 386 CO -0.00 0.51 -1.09 -1.22 -1.72 0.00 0.00 179.24 175.71 2wof n TYR 387 N -2.96 0.00 -1.14 4.55 4.02 -0.98 -0.28 117.16 120.37 2wof n TYR 387 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 2wof n TYR 387 Cb 0.79 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 40.05 2wof n TYR 387 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wof n GLY 388 N 2.59 -0.33 0.20 2.72 0.00 0.15 -4.84 105.19 105.69 2wof n GLY 388 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 2wof n GLY 388 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2wof h MET 389 N 0.00 0.30 -0.32 1.61 2.86 -1.40 -1.89 114.93 116.10 2wof h MET 389 Ca 0.00 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 2wof h MET 389 Cb 0.06 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2wof h MET 389 CO 0.00 0.65 0.21 0.78 1.06 0.00 0.00 176.91 179.61 2wof h GLY 390 N 1.17 0.45 1.47 8.32 0.00 -1.22 -1.86 103.07 111.40 2wof h GLY 390 Ca 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 2wof h GLY 390 CO 0.06 0.16 0.03 -0.84 0.00 0.00 0.00 176.54 175.95 2wof h THR 391 N 0.43 1.21 -0.36 4.70 2.02 -1.07 -1.66 112.91 118.18 2wof h THR 391 Ca 0.12 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.46 2wof h THR 391 Cb -0.04 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2wof h THR 391 CO -0.03 0.30 0.00 0.18 0.37 0.00 0.00 175.52 176.33 2wof n LEU 392 N -4.26 3.87 -4.56 2.58 4.77 -0.74 -4.96 117.00 113.70 2wof n LEU 392 Ca 0.02 -1.96 -0.47 0.00 -0.03 0.00 0.00 56.01 53.57 2wof n LEU 392 Cb 0.25 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 2wof n LEU 392 CO 0.40 0.49 0.57 0.41 -1.33 0.00 0.00 177.39 177.92 2wof n THR 393 N 0.40 1.45 -3.65 -5.08 -1.04 -0.63 -2.57 114.28 103.16 2wof n THR 393 Ca 0.17 -0.36 -0.37 0.00 -2.04 0.00 0.00 64.05 61.44 2wof n THR 393 Cb 0.82 -0.78 -0.11 0.00 -1.82 0.00 0.00 70.33 68.43 2wof n THR 393 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2wof s SER 394 N -0.35 5.77 0.18 8.00 0.01 0.81 -4.84 113.70 123.27 2wof s SER 394 Ca 0.67 -0.05 -0.33 0.00 1.31 0.00 0.00 55.95 57.54 2wof s SER 394 Cb -0.81 -2.06 -0.14 0.00 0.21 0.00 0.00 66.02 63.22 2wof s SER 394 CO 0.56 -0.03 1.51 -2.65 0.41 0.00 0.00 173.24 173.04 2wof n PRO 395 N 4.93 2.05 -1.69 12.44 -0.02 -1.26 -4.51 135.00 146.94 2wof n PRO 395 Ca -0.15 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 2wof n PRO 395 Cb 0.52 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 2wof n PRO 395 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wof n ILE 396 N 2.94 0.24 -2.59 4.25 5.41 0.71 -4.94 119.36 125.37 2wof n ILE 396 Ca 0.16 -0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.45 2wof n ILE 396 Cb 0.29 -1.97 -0.03 0.00 -0.71 0.00 0.00 39.64 37.22 2wof n ILE 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wof s ALA 397 N 2.18 2.86 0.14 -1.39 0.00 -1.26 -4.92 121.76 119.37 2wof s ALA 397 Ca 0.81 -1.24 -0.34 0.00 0.00 0.00 0.00 51.96 51.18 2wof s ALA 397 Cb -0.54 -4.15 -0.16 0.00 0.00 0.00 0.00 23.12 18.27 2wof s ALA 397 CO 0.37 -3.05 1.23 -2.13 0.00 0.00 0.00 175.76 172.18 2wof n ARG 398 N 8.94 1.14 0.00 0.00 0.63 -1.26 -0.94 116.66 125.17 2wof n ARG 398 Ca 0.04 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 2wof n ARG 398 Cb 0.49 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.44 2wof n ARG 398 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wof n GLY 399 N 2.21 3.13 0.85 5.14 0.00 -0.53 -4.72 105.19 111.27 2wof n GLY 399 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 2wof n GLY 399 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wof n LYS 400 N -1.67 0.11 0.25 1.61 5.02 -0.11 -4.48 118.16 118.90 2wof n LYS 400 Ca 0.00 0.05 0.14 0.00 -2.02 0.00 0.00 58.31 56.48 2wof n LYS 400 Cb 0.00 -0.69 0.58 0.00 -0.02 0.00 0.00 35.03 34.90 2wof n LYS 400 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2wof h ASP 401 N -0.20 0.00 -5.06 4.39 3.32 -1.49 -3.44 116.42 113.94 2wof h ASP 401 Ca -0.05 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.88 2wof h ASP 401 Cb 0.52 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.89 2wof h ASP 401 CO -0.03 0.10 -0.45 0.00 -1.72 0.00 0.00 179.24 177.14 2wof s ALA 402 N -3.68 -0.25 0.85 3.45 0.00 -1.26 -4.97 121.76 115.90 2wof s ALA 402 Ca 0.01 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 2wof s ALA 402 Cb 0.10 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.51 2wof s ALA 402 CO 0.59 -0.32 0.83 -0.35 0.00 0.00 0.00 175.76 176.50 2wof n PRO 403 N 0.85 -0.01 0.12 0.00 -0.04 -1.26 -1.45 135.00 133.21 2wof n PRO 403 Ca -0.20 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.42 2wof n PRO 403 Cb 0.58 -2.14 0.47 0.00 -0.04 0.00 0.00 33.50 32.38 2wof n PRO 403 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wof n SER 404 N -2.21 0.49 -1.43 3.54 3.41 -1.26 -1.80 113.62 114.35 2wof n SER 404 Ca 0.11 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.50 2wof n SER 404 Cb 0.51 -0.77 0.33 0.00 -0.26 0.00 0.00 64.21 64.02 2wof n SER 404 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wof n ASN 405 N -2.11 4.21 -4.84 4.04 6.94 -1.25 -4.87 115.26 117.37 2wof n ASN 405 Ca 0.00 -2.27 -0.31 0.00 -0.02 0.00 0.00 54.58 51.98 2wof n ASN 405 Cb 0.09 -0.53 0.04 0.00 -2.36 0.00 0.00 39.78 37.03 2wof n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wof s ALA 406 N -1.57 2.77 -0.13 -2.53 0.00 -0.74 -4.72 121.76 114.84 2wof s ALA 406 Ca 0.47 -0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 2wof s ALA 406 Cb 0.28 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 2wof s ALA 406 CO 0.26 -1.13 -0.12 0.08 0.00 0.00 0.00 175.76 174.84 2wof s VAL 407 N -3.17 3.13 -0.23 0.00 1.01 0.29 -4.46 120.40 116.97 2wof s VAL 407 Ca 0.58 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2wof s VAL 407 Cb -0.13 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2wof s VAL 407 CO 0.54 0.53 -0.00 -0.76 0.00 0.00 0.00 175.10 175.40 2wof s LEU 408 N 0.29 3.10 0.06 3.92 1.43 -1.26 -0.33 118.68 125.89 2wof s LEU 408 Ca -0.09 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 2wof s LEU 408 Cb -0.16 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 2wof s LEU 408 CO 0.05 -0.03 0.47 -0.76 0.23 0.00 0.00 176.35 176.31 2wof s LEU 409 N 1.52 4.43 0.18 1.79 1.43 0.87 -4.77 118.68 124.13 2wof s LEU 409 Ca 0.06 1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 54.07 2wof s LEU 409 Cb -0.15 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.13 2wof s LEU 409 CO -0.01 0.23 0.50 0.20 0.23 0.00 0.00 176.35 177.50 2wof s ASN 410 N -1.37 6.63 0.01 2.29 0.01 -1.26 -0.21 114.94 121.05 2wof s ASN 410 Ca 0.30 0.87 0.01 0.00 -0.71 0.00 0.00 52.86 53.32 2wof s ASN 410 Cb -0.16 -2.21 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 2wof s ASN 410 CO 0.17 0.01 -0.03 -1.61 -1.51 0.00 0.00 177.10 174.12 2wof s GLU 411 N -2.54 0.27 -0.07 -0.60 0.41 -0.58 -4.90 118.70 110.69 2wof s GLU 411 Ca 0.43 -0.38 0.05 0.00 -0.41 0.00 0.00 54.97 54.66 2wof s GLU 411 Cb -0.12 -0.08 -0.01 0.00 -1.78 0.00 0.00 34.13 32.14 2wof s GLU 411 CO 0.21 0.01 -0.24 0.99 -0.49 0.00 0.00 175.26 175.74 2wof s THR 412 N -0.78 2.03 0.33 3.63 2.01 -1.26 0.45 115.64 122.04 2wof s THR 412 Ca -0.07 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 60.93 2wof s THR 412 Cb -0.06 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 2wof s THR 412 CO -0.00 0.56 0.32 0.27 -0.69 0.00 0.00 174.62 175.08 2wof s ILE 413 N -0.02 0.00 -0.13 1.82 -4.36 -0.69 -4.90 121.20 112.91 2wof s ILE 413 Ca -0.08 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.34 2wof s ILE 413 Cb -0.15 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 2wof s ILE 413 CO 0.05 0.00 0.15 0.00 0.24 0.00 0.00 174.94 175.38 2wof s ALA 414 N -3.39 3.84 1.02 2.27 0.00 -1.26 -0.32 121.76 123.92 2wof s ALA 414 Ca 0.38 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 2wof s ALA 414 Cb 0.02 -2.02 0.23 0.00 0.00 0.00 0.00 23.12 21.35 2wof s ALA 414 CO 0.25 0.53 1.31 -0.40 0.00 0.00 0.00 175.76 177.45 2wof n ASP 415 N 2.27 -0.07 0.01 0.00 5.68 -0.23 -4.87 116.55 119.33 2wof n ASP 415 Ca -0.19 -1.45 0.11 0.00 -0.50 0.00 0.00 54.79 52.75 2wof n ASP 415 Cb 0.54 -1.01 0.48 0.00 -1.14 0.00 0.00 41.12 39.99 2wof n ASP 415 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wof n TYR 416 N -3.91 0.06 0.90 2.11 4.11 -1.26 -0.87 117.16 118.30 2wof n TYR 416 Ca 0.16 0.02 0.12 0.00 -0.00 0.00 0.00 57.90 58.21 2wof n TYR 416 Cb 0.58 -0.53 0.23 0.00 -0.00 0.00 0.00 39.34 39.61 2wof n TYR 416 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2wof n THR 417 N -1.56 0.17 -0.61 -3.48 -2.24 -1.26 -0.85 114.28 104.45 2wof n THR 417 Ca 0.05 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2wof n THR 417 Cb 0.27 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2wof n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wof n GLY 418 N 1.35 0.66 3.73 3.38 0.00 -0.04 -4.91 105.19 109.36 2wof n GLY 418 Ca 0.17 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2wof n GLY 418 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wof s VAL 419 N -2.00 5.32 0.55 1.61 1.01 -1.26 -4.62 120.40 121.02 2wof s VAL 419 Ca 0.00 0.49 -0.21 0.00 0.00 0.00 0.00 61.98 62.25 2wof s VAL 419 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2wof s VAL 419 CO 0.00 0.41 1.30 -2.65 0.00 0.00 0.00 175.10 174.16 2wof n PRO 420 N 3.49 1.58 -3.73 2.72 -0.02 -1.26 -1.07 135.00 136.71 2wof n PRO 420 Ca -0.13 0.58 -0.24 0.00 -2.02 0.00 0.00 63.50 61.69 2wof n PRO 420 Cb 0.52 -2.51 -0.17 0.00 -0.02 0.00 0.00 33.50 31.32 2wof n PRO 420 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2wof s MET 421 N -2.85 0.47 -0.27 -0.52 1.75 0.57 -4.79 119.30 113.66 2wof s MET 421 Ca 0.72 -0.05 -0.17 0.00 -1.25 0.00 0.00 55.69 54.94 2wof s MET 421 Cb -0.42 -1.39 -0.03 0.00 2.84 0.00 0.00 34.83 35.83 2wof s MET 421 CO 0.49 -0.46 0.46 -2.00 -0.65 0.00 0.00 175.02 172.86 2wof s GLU 422 N 1.98 4.01 -0.36 4.11 2.12 -1.26 -1.71 118.70 127.59 2wof s GLU 422 Ca 0.03 0.18 -0.20 0.00 0.36 0.00 0.00 54.97 55.34 2wof s GLU 422 Cb -0.14 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2wof s GLU 422 CO -0.06 -0.35 0.59 0.42 -0.54 0.00 0.00 175.26 175.31 2wof s ILE 423 N 2.23 4.93 0.21 -3.70 1.01 0.17 -4.94 121.20 121.11 2wof s ILE 423 Ca 0.19 0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 2wof s ILE 423 Cb -0.16 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 2wof s ILE 423 CO 0.10 -0.31 1.04 -2.16 0.00 0.00 0.00 174.94 173.61 2wof s PRO 424 N 2.59 4.68 -1.37 2.79 0.04 -1.26 -1.52 135.00 140.95 2wof s PRO 424 Ca 0.22 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 2wof s PRO 424 Cb -0.15 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.13 2wof s PRO 424 CO 0.15 0.23 0.66 0.54 0.04 0.00 0.00 177.00 178.61 2wof n ARG 425 N 1.95 -4.52 0.10 4.56 1.74 -1.18 -4.32 116.66 115.00 2wof n ARG 425 Ca 0.01 0.56 -0.04 0.00 -0.77 0.00 0.00 57.85 57.60 2wof n ARG 425 Cb 0.46 -5.04 0.07 0.00 -1.02 0.00 0.00 32.46 26.94 2wof n ARG 425 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wof h ALA 426 N 0.87 0.75 -3.52 7.54 0.00 -0.68 0.20 119.26 124.43 2wof h ALA 426 Ca -0.61 -0.65 -0.22 0.00 0.00 0.00 0.00 54.91 53.42 2wof h ALA 426 Cb 1.37 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.77 2wof h ALA 426 CO 0.60 0.88 -0.64 0.42 0.00 0.00 0.00 179.25 180.51 2wof s ILE 427 N -3.39 -0.01 -0.09 0.00 1.01 -1.14 -4.46 121.20 113.13 2wof s ILE 427 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 2wof s ILE 427 Cb 0.12 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.43 2wof s ILE 427 CO 0.79 0.01 -0.02 0.00 0.00 0.00 0.00 174.94 175.72 2wof s ALA 428 N 0.24 3.16 -0.09 9.38 0.00 0.27 -0.09 121.76 134.62 2wof s ALA 428 Ca -0.02 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2wof s ALA 428 Cb -0.03 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.68 2wof s ALA 428 CO -0.01 0.54 -0.24 0.08 0.00 0.00 0.00 175.76 176.13 2wof s VAL 429 N -0.70 2.04 -0.10 0.00 1.01 0.55 -0.84 120.40 122.37 2wof s VAL 429 Ca 0.11 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 2wof s VAL 429 Cb -0.12 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.56 2wof s VAL 429 CO 0.02 0.56 0.52 0.72 0.00 0.00 0.00 175.10 176.92 2wof s PHE 430 N 0.29 -0.49 0.21 5.22 -0.71 -0.66 -0.55 117.98 121.29 2wof s PHE 430 Ca -0.17 0.99 -0.11 0.00 -1.04 0.00 0.00 56.93 56.60 2wof s PHE 430 Cb -0.17 0.24 -0.07 0.00 -1.21 0.00 0.00 43.02 41.80 2wof s PHE 430 CO 0.08 -0.43 0.55 -2.00 -1.34 0.00 0.00 175.22 172.08 2wof s GLU 431 N -0.69 3.84 -0.01 1.99 2.12 -1.26 -0.76 118.70 123.93 2wof s GLU 431 Ca -0.08 0.32 -0.11 0.00 0.36 0.00 0.00 54.97 55.46 2wof s GLU 431 Cb -0.03 -2.71 0.01 0.00 0.26 0.00 0.00 34.13 31.66 2wof s GLU 431 CO 0.05 0.36 0.23 -0.98 -0.54 0.00 0.00 175.26 174.38 2wof s ARG 432 N -2.61 0.58 0.19 4.30 1.70 0.17 -4.97 118.95 118.31 2wof s ARG 432 Ca 0.45 -0.28 -0.31 0.00 -0.47 0.00 0.00 55.73 55.12 2wof s ARG 432 Cb -0.12 0.25 -0.09 0.00 -0.57 0.00 0.00 34.95 34.42 2wof s ARG 432 CO 0.21 -0.15 1.40 -0.47 -1.08 0.00 0.00 175.30 175.20 2wof s TYR 433 N -1.34 3.16 -0.31 5.89 5.04 -1.26 -1.50 117.35 127.03 2wof s TYR 433 Ca -0.14 1.02 0.17 0.00 -2.44 0.00 0.00 57.07 55.68 2wof s TYR 433 Cb -0.06 -3.72 0.47 0.00 0.35 0.00 0.00 41.96 39.00 2wof s TYR 433 CO 0.03 -2.43 1.05 0.00 -1.34 0.00 0.00 175.55 172.87 2wof n ALA 434 N 3.07 3.52 0.00 3.97 0.00 -0.32 -4.90 120.51 125.86 2wof n ALA 434 Ca 0.09 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.30 2wof n ALA 434 Cb 0.41 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2wof n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wof n GLY 435 N -0.38 -2.20 3.74 0.00 0.00 -1.26 -4.65 105.19 100.44 2wof n GLY 435 Ca 0.16 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 2wof n GLY 435 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wof s PRO 436 N -0.27 4.56 0.16 1.61 0.04 -1.26 -0.53 135.00 139.31 2wof s PRO 436 Ca 0.00 1.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 2wof s PRO 436 Cb 0.00 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.32 2wof s PRO 436 CO 0.00 0.03 1.65 1.49 0.04 0.00 0.00 177.00 180.21 2wof h GLU 437 N 5.08 0.86 -2.70 4.56 4.57 0.77 -3.41 114.58 124.32 2wof h GLU 437 Ca -0.44 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 57.55 2wof h GLU 437 Cb 1.21 -0.11 -0.13 0.00 -0.16 0.00 0.00 28.75 29.56 2wof h GLU 437 CO 0.73 0.83 0.33 1.52 -1.18 0.00 0.00 179.01 181.24 2wof s TYR 438 N -5.24 -0.46 -0.15 0.92 -0.85 -1.22 -4.93 117.35 105.42 2wof s TYR 438 Ca -0.13 0.28 -0.14 0.00 -0.52 0.00 0.00 57.07 56.56 2wof s TYR 438 Cb 0.12 0.55 0.04 0.00 0.38 0.00 0.00 41.96 43.05 2wof s TYR 438 CO 0.81 -0.72 0.40 0.21 -1.52 0.00 0.00 175.55 174.73 2wof s LYS 439 N -3.49 0.47 -0.04 -3.49 2.20 -1.26 -2.35 119.74 111.79 2wof s LYS 439 Ca 0.03 0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 56.19 2wof s LYS 439 Cb -0.01 0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.57 2wof s LYS 439 CO -0.11 -0.06 0.07 -1.58 -0.36 0.00 0.00 175.35 173.31 2wof s HIS 440 N 0.24 0.01 -0.94 4.03 2.46 -0.49 -5.03 115.29 115.57 2wof s HIS 440 Ca -0.00 0.28 -0.06 0.00 0.47 0.00 0.00 55.06 55.76 2wof s HIS 440 Cb -0.03 -0.37 0.24 0.00 -0.13 0.00 0.00 32.58 32.29 2wof s HIS 440 CO 0.00 -0.17 0.87 -1.14 -2.47 0.00 0.00 174.74 171.82 2wof s GLN 441 N 1.85 3.57 0.24 2.88 2.00 -1.26 -1.73 119.66 127.21 2wof s GLN 441 Ca 0.00 -3.12 -0.31 0.00 -2.00 0.00 0.00 55.36 49.94 2wof s GLN 441 Cb -0.12 -4.19 -0.11 0.00 0.80 0.00 0.00 33.01 29.39 2wof s GLN 441 CO -0.04 -1.25 1.57 -2.00 -0.50 0.00 0.00 175.29 173.08 2wof s GLU 442 N -1.07 4.18 0.06 1.67 2.56 -1.26 -4.88 118.70 119.95 2wof s GLU 442 Ca 0.27 2.47 -0.36 0.00 0.00 0.00 0.00 54.97 57.35 2wof s GLU 442 Cb -0.10 -3.08 -0.15 0.00 2.00 0.00 0.00 34.13 32.80 2wof s GLU 442 CO -0.10 -0.59 1.53 -0.12 -0.56 0.00 0.00 175.26 175.42 2wof n MET 443 N 2.90 1.66 -1.58 4.30 0.00 -1.26 -0.95 117.12 122.19 2wof n MET 443 Ca 0.10 0.60 -0.18 0.00 -0.00 0.00 0.00 57.70 58.23 2wof n MET 443 Cb 0.38 -2.32 -0.07 0.00 0.00 0.00 0.00 33.22 31.21 2wof n MET 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wof n GLY 444 N 3.25 1.55 3.48 -5.12 0.00 -1.26 -5.00 105.19 102.09 2wof n GLY 444 Ca 0.19 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2wof n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wof s GLN 445 N -3.61 1.67 0.38 1.61 -1.52 -0.13 -5.12 119.66 112.94 2wof s GLN 445 Ca 0.00 -1.87 -0.27 0.00 -1.95 0.00 0.00 55.36 51.27 2wof s GLN 445 Cb 0.00 -1.27 -0.10 0.00 -0.22 0.00 0.00 33.01 31.42 2wof s GLN 445 CO 0.00 0.01 1.37 -2.14 -0.25 0.00 0.00 175.29 174.28 2wof s PRO 446 N -3.73 4.07 0.66 2.91 0.02 -1.26 -4.69 135.00 132.98 2wof s PRO 446 Ca 0.32 2.32 -0.16 0.00 0.02 0.00 0.00 61.00 63.50 2wof s PRO 446 Cb 0.05 -2.89 -0.00 0.00 0.02 0.00 0.00 34.50 31.68 2wof s PRO 446 CO 0.14 -0.47 1.14 1.21 -0.33 0.00 0.00 177.00 178.69 2wof s ASN 447 N -0.48 5.00 -0.13 2.53 2.47 -1.26 -4.64 114.94 118.43 2wof s ASN 447 Ca 0.54 2.11 0.01 0.00 0.42 0.00 0.00 52.86 55.94 2wof s ASN 447 Cb -0.42 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 36.84 2wof s ASN 447 CO 0.55 -1.71 -0.13 -0.69 -3.72 0.00 0.00 177.10 171.40 2wof s VAL 448 N -2.16 1.43 -0.10 -5.21 1.01 -0.70 -5.03 120.40 109.63 2wof s VAL 448 Ca 0.70 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 2wof s VAL 448 Cb -0.23 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.84 2wof s VAL 448 CO 0.40 0.43 0.27 -0.44 0.00 0.00 0.00 175.10 175.76 2wof s SER 449 N 1.33 -0.28 0.15 3.32 0.01 -1.26 -1.40 113.70 115.57 2wof s SER 449 Ca 0.00 0.54 0.06 0.00 1.31 0.00 0.00 55.95 57.86 2wof s SER 449 Cb -0.14 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.58 2wof s SER 449 CO -0.07 -0.10 -0.12 0.42 0.41 0.00 0.00 173.24 173.78 2wof s THR 450 N 0.26 1.35 -0.01 1.44 -4.23 -0.99 -5.02 115.64 108.44 2wof s THR 450 Ca -0.01 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.38 2wof s THR 450 Cb -0.03 -1.78 -0.06 0.00 1.34 0.00 0.00 72.50 71.98 2wof s THR 450 CO -0.01 -0.60 0.40 -1.83 -0.54 0.00 0.00 174.62 172.04 2wof s GLU 451 N -3.35 3.92 0.04 3.99 -1.05 -1.26 0.12 118.70 121.11 2wof s GLU 451 Ca 0.15 0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 55.05 2wof s GLU 451 Cb -0.01 -3.23 -0.04 0.00 -0.44 0.00 0.00 34.13 30.41 2wof s GLU 451 CO 0.03 0.66 1.04 0.50 0.95 0.00 0.00 175.26 178.44 2wof s ARG 452 N -0.97 4.55 -0.08 -4.83 3.52 0.31 -4.26 118.95 117.20 2wof s ARG 452 Ca 0.23 1.53 0.03 0.00 -0.13 0.00 0.00 55.73 57.39 2wof s ARG 452 Cb -0.16 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 2wof s ARG 452 CO 0.13 -0.05 -0.16 1.03 -0.81 0.00 0.00 175.30 175.44 2wof s ARG 453 N 0.78 2.79 0.03 5.12 1.81 -1.26 -1.17 118.95 127.05 2wof s ARG 453 Ca 0.53 -0.72 0.07 0.00 -1.72 0.00 0.00 55.73 53.88 2wof s ARG 453 Cb -0.24 -2.43 -0.03 0.00 -0.45 0.00 0.00 34.95 31.81 2wof s ARG 453 CO 0.29 0.46 -0.19 -1.21 -0.68 0.00 0.00 175.30 173.97 2wof s GLU 454 N -0.30 2.09 -0.26 3.54 2.02 -0.56 -3.16 118.70 122.07 2wof s GLU 454 Ca 0.02 -0.96 -0.08 0.00 0.02 0.00 0.00 54.97 53.97 2wof s GLU 454 Cb -0.13 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 2wof s GLU 454 CO 0.03 0.55 0.10 -1.17 0.02 0.00 0.00 175.26 174.78 2wof s LEU 455 N -1.28 3.57 -0.11 1.80 2.96 -0.50 -0.65 118.68 124.47 2wof s LEU 455 Ca 0.14 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2wof s LEU 455 Cb -0.10 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2wof s LEU 455 CO 0.04 -0.04 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.32 2wof s VAL 456 N 1.65 4.06 -0.27 1.68 1.01 0.06 -0.46 120.40 128.13 2wof s VAL 456 Ca 0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 2wof s VAL 456 Cb -0.15 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2wof s VAL 456 CO 0.05 0.56 0.02 -0.69 0.00 0.00 0.00 175.10 175.05 2wof s VAL 457 N -0.45 3.56 -0.14 2.92 1.01 0.19 -1.65 120.40 125.86 2wof s VAL 457 Ca 0.07 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2wof s VAL 457 Cb -0.12 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 2wof s VAL 457 CO 0.02 0.17 -0.18 -0.60 0.00 0.00 0.00 175.10 174.51 2wof s ARG 458 N 1.45 3.18 -0.03 2.72 3.52 -0.02 -0.34 118.95 129.43 2wof s ARG 458 Ca 0.02 -0.78 0.02 0.00 -0.13 0.00 0.00 55.73 54.87 2wof s ARG 458 Cb -0.17 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.70 2wof s ARG 458 CO -0.00 0.08 -0.09 -0.46 -0.81 0.00 0.00 175.30 174.02 2wof s TRP 459 N 0.63 0.98 -0.10 5.12 -0.00 -0.28 -0.57 118.94 124.72 2wof s TRP 459 Ca -0.10 -0.25 0.04 0.00 -0.00 0.00 0.00 56.10 55.79 2wof s TRP 459 Cb -0.16 -0.70 0.00 0.00 -0.00 0.00 0.00 33.47 32.61 2wof s TRP 459 CO 0.03 -0.11 -0.23 0.42 -0.00 0.00 0.00 176.95 177.06 2wof s ILE 460 N 0.22 1.99 0.04 5.86 1.01 -1.26 -0.10 121.20 128.96 2wof s ILE 460 Ca -0.04 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.70 2wof s ILE 460 Cb -0.09 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 2wof s ILE 460 CO 0.01 0.54 -0.19 -0.55 0.00 0.00 0.00 174.94 174.75 2wof s SER 461 N 0.40 2.24 -0.12 3.58 0.15 -0.34 -0.14 113.70 119.47 2wof s SER 461 Ca -0.18 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2wof s SER 461 Cb -0.18 -0.18 0.02 0.00 -1.71 0.00 0.00 66.02 63.97 2wof s SER 461 CO 0.08 0.14 -0.10 -0.89 1.20 0.00 0.00 173.24 173.66 2wof s THR 462 N -0.77 1.24 -0.30 6.45 2.01 -1.06 -0.60 115.64 122.61 2wof s THR 462 Ca 0.06 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.66 2wof s THR 462 Cb -0.08 -1.21 0.08 0.00 0.01 0.00 0.00 72.50 71.31 2wof s THR 462 CO 0.01 0.40 0.00 -0.69 -0.69 0.00 0.00 174.62 173.66 2wof s VAL 463 N 1.54 1.98 0.00 3.82 1.01 -1.26 -4.85 120.40 122.63 2wof s VAL 463 Ca 0.03 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.11 2wof s VAL 463 Cb -0.13 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2wof s VAL 463 CO -0.08 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.23 2wof n GLY 464 N 4.42 1.70 1.94 4.51 0.00 -1.26 -4.86 105.19 111.65 2wof n GLY 464 Ca -0.03 0.23 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 2wof n GLY 464 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wof n ASN 465 N 11.23 6.25 -3.49 1.61 6.94 -1.26 -4.99 115.26 131.54 2wof n ASN 465 Ca 0.00 -3.17 0.01 0.00 -0.02 0.00 0.00 54.58 51.40 2wof n ASN 465 Cb 0.00 -0.99 -0.05 0.00 -2.36 0.00 0.00 39.78 36.38 2wof n ASN 465 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2wof s ASP 467 N -0.24 -0.41 -0.10 0.53 1.11 -0.48 -0.57 116.67 116.51 2wof s ASP 467 Ca 0.37 0.60 0.02 0.00 0.18 0.00 0.00 52.55 53.72 2wof s ASP 467 Cb 0.29 1.34 -0.02 0.00 1.07 0.00 0.00 42.92 45.60 2wof s ASP 467 CO 0.00 -0.09 -0.15 -0.31 1.18 0.00 0.00 175.17 175.80 2wof s TYR 468 N 1.82 2.73 -0.17 4.23 2.02 0.23 -1.61 117.35 126.61 2wof s TYR 468 Ca -0.05 -0.56 -0.05 0.00 -0.37 0.00 0.00 57.07 56.04 2wof s TYR 468 Cb -0.04 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 2wof s TYR 468 CO -0.15 -0.13 -0.01 0.42 -1.57 0.00 0.00 175.55 174.11 2wof s ILE 469 N 0.04 4.12 -0.10 2.71 1.01 -0.33 -1.20 121.20 127.46 2wof s ILE 469 Ca -0.06 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.35 2wof s ILE 469 Cb -0.15 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2wof s ILE 469 CO 0.05 0.47 -0.19 -0.36 0.00 0.00 0.00 174.94 174.91 2wof s PHE 470 N 0.48 2.67 -0.19 3.97 0.40 0.86 0.23 117.98 126.39 2wof s PHE 470 Ca -0.01 -0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 55.53 2wof s PHE 470 Cb -0.14 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.65 2wof s PHE 470 CO 0.02 -0.26 -0.13 -0.51 0.70 0.00 0.00 175.22 175.04 2wof s ASP 471 N 0.22 3.69 -0.28 1.36 1.11 -0.42 -1.12 116.67 121.21 2wof s ASP 471 Ca -0.12 -0.52 -0.11 0.00 0.18 0.00 0.00 52.55 51.99 2wof s ASP 471 Cb -0.16 -1.60 -0.04 0.00 1.07 0.00 0.00 42.92 42.19 2wof s ASP 471 CO 0.06 0.01 0.17 0.26 1.18 0.00 0.00 175.17 176.85 2wof s TRP 472 N 1.28 3.20 -0.25 4.23 0.52 0.54 -1.62 118.94 126.84 2wof s TRP 472 Ca 0.04 -0.03 0.02 0.00 0.02 0.00 0.00 56.10 56.15 2wof s TRP 472 Cb -0.14 -2.36 0.06 0.00 -1.15 0.00 0.00 33.47 29.87 2wof s TRP 472 CO -0.07 -0.23 -0.11 0.42 0.02 0.00 0.00 176.95 176.99 2wof s ILE 473 N 1.73 2.03 -0.29 2.03 1.01 0.30 -0.63 121.20 127.37 2wof s ILE 473 Ca 0.07 -1.48 -0.16 0.00 0.00 0.00 0.00 60.65 59.08 2wof s ILE 473 Cb -0.16 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2wof s ILE 473 CO 0.10 0.02 0.40 -0.36 0.00 0.00 0.00 174.94 175.10 2wof s PHE 474 N 1.18 3.23 0.20 3.97 0.40 0.40 -0.85 117.98 126.50 2wof s PHE 474 Ca -0.07 0.35 -0.14 0.00 -0.60 0.00 0.00 56.93 56.47 2wof s PHE 474 Cb -0.19 -2.64 -0.07 0.00 0.51 0.00 0.00 43.02 40.62 2wof s PHE 474 CO -0.06 -0.30 0.59 -1.01 0.70 0.00 0.00 175.22 175.14 2wof s HIS 475 N 2.13 3.54 0.37 0.36 3.76 0.18 -1.41 115.29 124.22 2wof s HIS 475 Ca 0.16 1.08 0.07 0.00 -0.15 0.00 0.00 55.06 56.21 2wof s HIS 475 Cb -0.16 -2.39 0.73 0.00 1.11 0.00 0.00 32.58 31.87 2wof s HIS 475 CO 0.10 0.34 1.93 0.93 -0.85 0.00 0.00 174.74 177.20 2wof h GLU 476 N 3.14 0.42 0.00 1.40 5.08 -1.84 -2.22 114.58 120.56 2wof h GLU 476 Ca -0.48 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2wof h GLU 476 Cb 1.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2wof h GLU 476 CO 0.66 0.44 0.00 0.27 -1.00 0.00 0.00 179.01 179.39 2wof n ASN 477 N -4.33 0.00 0.00 1.42 0.23 -1.26 -4.84 115.26 106.49 2wof n ASN 477 Ca 0.01 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 52.93 2wof n ASN 477 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 2wof n ASN 477 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wof n GLY 478 N 0.13 2.65 3.77 4.83 0.00 -0.84 -4.77 105.19 110.97 2wof n GLY 478 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2wof n GLY 478 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wof s THR 479 N -2.73 3.28 -0.10 2.61 2.01 -1.26 -4.42 115.64 115.03 2wof s THR 479 Ca 0.00 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.02 2wof s THR 479 Cb 0.00 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 69.00 2wof s THR 479 CO 0.00 0.02 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.16 2wof s ILE 480 N -1.54 1.54 0.03 1.82 1.01 -0.37 -0.64 121.20 123.05 2wof s ILE 480 Ca 0.60 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.59 2wof s ILE 480 Cb -0.27 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 2wof s ILE 480 CO 0.34 0.45 0.03 -0.83 0.00 0.00 0.00 174.94 174.93 2wof s GLY 481 N 0.81 1.94 -0.15 6.18 0.00 -0.03 -0.15 107.32 115.92 2wof s GLY 481 Ca -0.10 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.63 2wof s GLY 481 CO 0.01 -0.90 -0.08 -0.42 0.00 0.00 0.00 173.10 171.71 2wof s ILE 482 N -1.21 1.23 0.07 0.90 1.01 -1.02 -0.54 121.20 121.64 2wof s ILE 482 Ca 0.23 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.41 2wof s ILE 482 Cb -0.12 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 2wof s ILE 482 CO 0.15 0.28 -0.20 -1.81 0.00 0.00 0.00 174.94 173.37 2wof s ASP 483 N 1.61 3.72 -0.06 3.58 1.11 -0.64 -1.56 116.67 124.43 2wof s ASP 483 Ca 0.03 -0.50 0.03 0.00 0.18 0.00 0.00 52.55 52.28 2wof s ASP 483 Cb -0.14 -0.53 0.01 0.00 1.07 0.00 0.00 42.92 43.33 2wof s ASP 483 CO -0.09 0.23 -0.13 0.00 1.18 0.00 0.00 175.17 176.37 2wof s ALA 484 N -0.98 1.26 0.07 5.23 0.00 -0.76 -1.30 121.76 125.27 2wof s ALA 484 Ca 0.15 -0.45 0.09 0.00 0.00 0.00 0.00 51.96 51.75 2wof s ALA 484 Cb -0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2wof s ALA 484 CO 0.06 0.14 -0.24 0.20 0.00 0.00 0.00 175.76 175.93 2wof s GLY 485 N 0.51 1.51 -0.06 0.00 0.00 0.13 -1.69 107.32 107.72 2wof s GLY 485 Ca -0.12 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.32 2wof s GLY 485 CO 0.03 -1.22 -0.13 0.00 0.00 0.00 0.00 173.10 171.78 2wof s ALA 486 N -0.92 1.26 0.00 3.20 0.00 0.38 -1.18 121.76 124.50 2wof s ALA 486 Ca 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2wof s ALA 486 Cb -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2wof s ALA 486 CO 0.04 0.14 0.00 -2.37 0.00 0.00 0.00 175.76 173.57 2wof n THR 487 N 3.66 0.00 0.00 0.00 5.66 -0.63 -0.62 114.28 122.35 2wof n THR 487 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2wof n THR 487 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2wof n THR 487 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wof n GLY 488 N 0.00 -0.13 3.35 1.09 0.00 -1.25 -1.39 105.19 106.86 2wof n GLY 488 Ca 0.00 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 2wof n GLY 488 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wof s ILE 489 N 0.00 3.00 0.46 -0.61 -1.09 0.26 -0.87 121.20 122.36 2wof s ILE 489 Ca 0.00 -0.67 -0.24 0.00 -2.23 0.00 0.00 60.65 57.51 2wof s ILE 489 Cb 0.00 -2.27 -0.07 0.00 -1.58 0.00 0.00 42.46 38.53 2wof s ILE 489 CO 0.00 0.51 1.36 -1.61 -1.23 0.00 0.00 174.94 173.97 2wof s GLU 490 N 0.53 3.62 -0.43 2.79 2.02 -1.26 -4.74 118.70 121.22 2wof s GLU 490 Ca -0.09 2.26 -0.29 0.00 0.02 0.00 0.00 54.97 56.88 2wof s GLU 490 Cb -0.16 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.54 2wof s GLU 490 CO 0.04 -0.81 1.16 0.00 0.02 0.00 0.00 175.26 175.67 2wof s ALA 491 N -1.27 3.22 0.18 5.21 0.00 -1.26 -4.93 121.76 122.92 2wof s ALA 491 Ca 0.63 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.33 2wof s ALA 491 Cb -0.40 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 18.83 2wof s ALA 491 CO 0.51 -2.09 0.04 0.14 0.00 0.00 0.00 175.76 174.36 2wof s VAL 492 N 4.40 3.90 -0.18 0.00 -7.23 -1.26 -3.78 120.40 116.24 2wof s VAL 492 Ca 0.49 -1.39 -0.07 0.00 -1.81 0.00 0.00 61.98 59.20 2wof s VAL 492 Cb -0.09 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 2wof s VAL 492 CO 0.28 -0.15 0.05 -0.75 -0.31 0.00 0.00 175.10 174.22 2wof s LYS 493 N -3.09 3.92 0.14 4.82 2.20 0.82 -4.83 119.74 123.71 2wof s LYS 493 Ca 0.29 -0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 55.22 2wof s LYS 493 Cb -0.09 -3.18 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 2wof s LYS 493 CO 0.20 0.24 1.12 0.20 -0.36 0.00 0.00 175.35 176.75 2wof s GLY 494 N 0.44 2.75 0.14 5.54 0.00 -1.26 -1.62 107.32 113.32 2wof s GLY 494 Ca 0.02 0.81 -0.03 0.00 0.00 0.00 0.00 44.72 45.52 2wof s GLY 494 CO 0.01 1.75 0.12 -1.34 0.00 0.00 0.00 173.10 173.63 2wof s VAL 495 N 0.13 0.09 0.15 1.40 -7.23 -0.31 -4.84 120.40 109.79 2wof s VAL 495 Ca 0.52 -1.78 -0.06 0.00 -1.81 0.00 0.00 61.98 58.85 2wof s VAL 495 Cb -0.29 -2.01 -0.12 0.00 0.56 0.00 0.00 36.38 34.52 2wof s VAL 495 CO 0.33 -0.40 1.39 0.11 -0.31 0.00 0.00 175.10 176.22 2wof h LYS 496 N 2.77 0.57 -6.92 4.82 1.57 -1.93 -3.39 116.57 114.06 2wof h LYS 496 Ca -0.34 -0.45 -0.53 0.00 -1.87 0.00 0.00 60.65 57.45 2wof h LYS 496 Cb 1.21 0.09 0.09 0.00 0.08 0.00 0.00 32.23 33.70 2wof h LYS 496 CO 0.56 1.08 0.71 0.00 -0.57 0.00 0.00 179.45 181.23 2wof s ALA 497 N -3.70 3.51 -0.22 3.86 0.00 -1.26 -4.76 121.76 119.19 2wof s ALA 497 Ca -0.08 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.33 2wof s ALA 497 Cb 0.10 -3.55 -0.20 0.00 0.00 0.00 0.00 23.12 19.47 2wof s ALA 497 CO 0.86 -0.88 -0.05 1.63 0.00 0.00 0.00 175.76 177.32 2wof n LYS 498 N 0.54 0.68 -4.27 0.00 4.01 -1.26 -0.81 118.16 117.05 2wof n LYS 498 Ca 0.01 0.16 -0.15 0.00 -0.51 0.00 0.00 58.31 57.82 2wof n LYS 498 Cb 0.41 -1.57 -0.10 0.00 -0.51 0.00 0.00 35.03 33.26 2wof n LYS 498 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2wof s THR 499 N -2.53 0.29 -1.59 -0.18 -4.23 -1.26 -4.13 115.64 102.01 2wof s THR 499 Ca -0.29 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.40 2wof s THR 499 Cb 0.08 -2.56 0.37 0.00 1.34 0.00 0.00 72.50 71.73 2wof s THR 499 CO 0.67 0.00 1.53 0.23 -0.54 0.00 0.00 174.62 176.50 2wof n MET 500 N -0.41 0.35 0.00 3.99 2.81 -1.26 -2.59 117.12 120.01 2wof n MET 500 Ca 0.01 0.08 0.14 0.00 -1.81 0.00 0.00 57.70 56.12 2wof n MET 500 Cb 0.66 -1.50 0.52 0.00 -0.71 0.00 0.00 33.22 32.18 2wof n MET 500 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2wof n HIS 501 N -1.21 0.00 -2.43 2.03 8.25 -1.26 -4.82 115.22 115.79 2wof n HIS 501 Ca 0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.26 2wof n HIS 501 Cb 0.12 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 30.93 2wof n HIS 501 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wof s ASP 502 N -2.77 6.39 0.23 0.41 1.01 -1.07 -4.98 116.67 115.89 2wof s ASP 502 Ca 0.20 1.25 -0.07 0.00 0.71 0.00 0.00 52.55 54.64 2wof s ASP 502 Cb 0.19 -2.38 0.33 0.00 1.01 0.00 0.00 42.92 42.07 2wof s ASP 502 CO 0.55 -0.62 1.79 -0.33 0.21 0.00 0.00 175.17 176.77 2wof h GLU 503 N 0.47 0.62 -0.00 8.23 3.07 -1.92 -0.93 114.58 124.13 2wof h GLU 503 Ca -0.46 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 2wof h GLU 503 Cb 1.19 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 2wof h GLU 503 CO 0.62 0.41 -0.04 0.25 -1.40 0.00 0.00 179.01 178.85 2wof n THR 504 N -4.84 0.00 -0.17 1.13 -2.24 -1.26 -4.36 114.28 102.54 2wof n THR 504 Ca 0.11 -0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 61.84 2wof n THR 504 Cb 0.26 -0.33 0.08 0.00 -2.10 0.00 0.00 70.33 68.24 2wof n THR 504 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wof h ALA 505 N 3.65 0.59 -0.41 6.98 0.00 -1.45 0.43 119.26 129.04 2wof h ALA 505 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2wof h ALA 505 Cb 0.26 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2wof h ALA 505 CO 0.00 -0.31 0.16 -0.22 0.00 0.00 0.00 179.25 178.88 2wof h LYS 506 N 0.24 0.62 -0.42 0.00 3.64 -1.79 -0.06 116.57 118.80 2wof h LYS 506 Ca 0.26 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 2wof h LYS 506 Cb 0.37 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2wof h LYS 506 CO -0.35 0.58 -0.31 -0.44 -2.27 0.00 0.00 179.45 176.67 2wof h ASP 507 N 0.52 1.00 0.11 4.20 3.32 -1.59 -2.73 116.42 121.26 2wof h ASP 507 Ca 0.14 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 2wof h ASP 507 Cb 0.20 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2wof h ASP 507 CO -0.01 1.22 -0.04 0.44 -1.72 0.00 0.00 179.24 179.13 2wof h ASP 508 N 0.78 0.00 -0.30 6.45 3.32 0.25 -2.74 116.42 124.19 2wof h ASP 508 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wof h ASP 508 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2wof h ASP 508 CO 0.08 0.04 0.00 0.35 -1.72 0.00 0.00 179.24 177.99 2wof n THR 509 N -3.82 1.28 -0.22 0.35 -2.24 -0.07 -4.60 114.28 104.95 2wof n THR 509 Ca -0.03 -1.20 0.07 0.00 -2.27 0.00 0.00 64.05 60.63 2wof n THR 509 Cb 0.13 0.33 0.34 0.00 -2.10 0.00 0.00 70.33 69.04 2wof n THR 509 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2wof h ARG 510 N 1.79 0.76 -0.15 -0.78 2.43 -1.17 -2.91 114.38 114.35 2wof h ARG 510 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wof h ARG 510 Cb 0.86 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2wof h ARG 510 CO 0.05 0.50 0.00 0.66 -1.51 0.00 0.00 179.97 179.67 2wof n TYR 511 N -4.50 0.34 0.00 2.20 4.01 -1.26 -5.05 117.16 112.90 2wof n TYR 511 Ca 0.13 -0.70 0.00 0.00 -0.16 0.00 0.00 57.90 57.16 2wof n TYR 511 Cb 0.28 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2wof n TYR 511 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wof n GLY 512 N -0.45 0.68 3.78 2.72 0.00 -1.10 -1.48 105.19 109.34 2wof n GLY 512 Ca 0.12 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 2wof n GLY 512 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wof s THR 513 N -2.00 3.85 -0.50 2.61 2.01 -1.19 -4.34 115.64 116.08 2wof s THR 513 Ca 0.00 1.55 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 2wof s THR 513 Cb 0.00 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2wof s THR 513 CO 0.00 0.14 1.26 -0.22 -0.69 0.00 0.00 174.62 175.10 2wof s LEU 514 N -2.17 3.54 -0.01 4.42 2.96 -1.26 -0.61 118.68 125.54 2wof s LEU 514 Ca 0.52 0.43 0.16 0.00 -0.22 0.00 0.00 54.13 55.02 2wof s LEU 514 Cb -0.23 -3.38 -0.21 0.00 0.50 0.00 0.00 46.19 42.87 2wof s LEU 514 CO 0.29 -1.42 0.51 2.30 -1.32 0.00 0.00 176.35 176.71 2wof n ILE 515 N 6.87 0.00 -4.00 6.68 -5.35 -0.23 -4.75 119.36 118.58 2wof n ILE 515 Ca 0.12 -0.25 -0.10 0.00 -0.27 0.00 0.00 62.75 62.26 2wof n ILE 515 Cb 0.49 0.57 -0.05 0.00 -1.74 0.00 0.00 39.64 38.91 2wof n ILE 515 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wof s ASP 516 N -3.16 0.03 0.09 7.28 -1.08 -1.11 -4.58 116.67 114.14 2wof s ASP 516 Ca 0.00 -1.01 -0.34 0.00 -0.52 0.00 0.00 52.55 50.68 2wof s ASP 516 Cb 0.11 0.61 -0.13 0.00 -1.46 0.00 0.00 42.92 42.05 2wof s ASP 516 CO 0.66 -1.18 1.68 1.41 0.52 0.00 0.00 175.17 178.26 2wof n HIS 517 N -0.41 2.32 -1.36 -5.34 8.25 -1.26 -1.79 115.22 115.63 2wof n HIS 517 Ca -0.02 0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.48 2wof n HIS 517 Cb 0.62 -2.59 -0.05 0.00 1.12 0.00 0.00 29.99 29.08 2wof n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wof n ASN 518 N 4.50 -4.98 -3.74 0.41 4.13 0.01 -4.97 115.26 110.62 2wof n ASN 518 Ca 0.19 0.31 -0.25 0.00 1.68 0.00 0.00 54.58 56.51 2wof n ASN 518 Cb 0.30 -3.59 -0.17 0.00 -1.54 0.00 0.00 39.78 34.78 2wof n ASN 518 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wof s ILE 519 N -2.31 0.38 -0.15 2.41 1.01 -0.74 -1.16 121.20 120.64 2wof s ILE 519 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 2wof s ILE 519 Cb 0.00 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 2wof s ILE 519 CO 0.00 0.02 0.01 -0.69 0.00 0.00 0.00 174.94 174.28 2wof s VAL 520 N 1.95 4.29 -0.73 2.92 1.01 -0.64 -1.07 120.40 128.13 2wof s VAL 520 Ca 0.02 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 2wof s VAL 520 Cb -0.14 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.42 2wof s VAL 520 CO -0.07 0.50 1.04 -0.83 0.00 0.00 0.00 175.10 175.75 2wof s GLY 521 N 0.12 1.43 0.39 4.51 0.00 0.22 -0.13 107.32 113.87 2wof s GLY 521 Ca 0.02 -2.00 -0.27 0.00 0.00 0.00 0.00 44.72 42.46 2wof s GLY 521 CO 0.02 2.13 1.47 -1.59 0.00 0.00 0.00 173.10 175.12 2wof s THR 522 N 3.98 2.07 0.34 0.90 2.01 -1.25 -3.15 115.64 120.54 2wof s THR 522 Ca 0.26 0.06 -0.27 0.00 0.31 0.00 0.00 61.69 62.05 2wof s THR 522 Cb -0.13 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.25 2wof s THR 522 CO 0.06 0.01 1.13 -0.89 -0.69 0.00 0.00 174.62 174.24 2wof s THR 523 N -1.14 3.36 0.10 -0.82 2.01 -0.55 -4.89 115.64 113.71 2wof s THR 523 Ca 0.55 1.25 -0.03 0.00 0.31 0.00 0.00 61.69 63.77 2wof s THR 523 Cb -0.46 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2wof s THR 523 CO 0.61 0.21 0.19 0.00 -0.69 0.00 0.00 174.62 174.94 2wof n HIS 524 N 0.65 -1.21 -4.34 4.92 1.44 -1.17 -2.23 115.22 113.28 2wof n HIS 524 Ca 0.01 -0.52 -0.20 0.00 -2.01 0.00 0.00 57.72 55.00 2wof n HIS 524 Cb 0.46 0.22 -0.11 0.00 0.12 0.00 0.00 29.99 30.68 2wof n HIS 524 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2wof s GLN 525 N -2.07 1.31 -0.20 -1.40 -0.21 -0.83 -0.20 119.66 116.06 2wof s GLN 525 Ca 0.05 -1.50 -0.01 0.00 0.02 0.00 0.00 55.36 53.92 2wof s GLN 525 Cb -0.01 -1.24 0.01 0.00 1.00 0.00 0.00 33.01 32.77 2wof s GLN 525 CO 0.04 0.23 -0.12 -1.01 -2.12 0.00 0.00 175.29 172.30 2wof s HIS 526 N -2.50 2.88 -0.21 0.91 3.76 -0.87 -3.49 115.29 115.78 2wof s HIS 526 Ca 0.19 -1.34 0.00 0.00 -0.15 0.00 0.00 55.06 53.76 2wof s HIS 526 Cb -0.03 -2.01 0.05 0.00 1.11 0.00 0.00 32.58 31.70 2wof s HIS 526 CO 0.07 -0.69 -0.05 0.42 -0.85 0.00 0.00 174.74 173.64 2wof s ILE 527 N 1.37 1.34 0.01 0.60 1.01 -0.47 -0.60 121.20 124.46 2wof s ILE 527 Ca 0.05 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 2wof s ILE 527 Cb -0.14 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2wof s ILE 527 CO -0.08 -0.01 0.09 -0.31 0.00 0.00 0.00 174.94 174.63 2wof s TYR 528 N 1.50 3.29 -0.03 3.97 2.02 0.30 -1.42 117.35 126.98 2wof s TYR 528 Ca -0.03 0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 2wof s TYR 528 Cb -0.17 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 2wof s TYR 528 CO -0.07 0.55 -0.11 1.21 -1.57 0.00 0.00 175.55 175.56 2wof s ASN 529 N -1.83 1.47 -0.13 2.29 3.84 -0.46 -1.28 114.94 118.84 2wof s ASN 529 Ca 0.24 -0.23 0.00 0.00 0.21 0.00 0.00 52.86 53.08 2wof s ASN 529 Cb -0.12 -0.44 -0.01 0.00 -0.55 0.00 0.00 41.25 40.13 2wof s ASN 529 CO 0.15 0.08 -0.15 -0.36 -2.79 0.00 0.00 177.10 174.03 2wof s PHE 530 N 0.24 2.78 -0.36 0.43 0.08 0.16 -0.58 117.98 120.73 2wof s PHE 530 Ca -0.05 -0.71 -0.13 0.00 0.12 0.00 0.00 56.93 56.16 2wof s PHE 530 Cb -0.10 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2wof s PHE 530 CO 0.01 -0.25 0.25 0.50 -0.10 0.00 0.00 175.22 175.63 2wof s ARG 531 N 0.36 3.34 -0.37 0.44 3.52 -0.77 -0.92 118.95 124.55 2wof s ARG 531 Ca -0.12 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.75 2wof s ARG 531 Cb -0.16 -3.82 0.11 0.00 -1.56 0.00 0.00 34.95 29.51 2wof s ARG 531 CO 0.06 -0.52 0.11 -0.51 -0.81 0.00 0.00 175.30 173.63 2wof s LEU 532 N 1.70 3.66 -1.14 -0.88 1.43 0.70 -1.86 118.68 122.29 2wof s LEU 532 Ca 0.06 -2.16 -0.20 0.00 -1.03 0.00 0.00 54.13 50.79 2wof s LEU 532 Cb -0.18 -1.32 0.07 0.00 0.03 0.00 0.00 46.19 44.79 2wof s LEU 532 CO 0.10 -0.36 1.56 -0.62 0.23 0.00 0.00 176.35 177.26 2wof s ASP 533 N 0.91 6.66 0.07 2.29 2.15 0.48 -1.10 116.67 128.12 2wof s ASP 533 Ca 0.12 -1.94 -0.27 0.00 0.43 0.00 0.00 52.55 50.89 2wof s ASP 533 Cb -0.20 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.80 2wof s ASP 533 CO -0.11 -1.33 0.86 -0.76 -0.17 0.00 0.00 175.17 173.66 2wof s LEU 534 N 4.46 4.46 -0.52 -1.34 1.43 -1.26 -0.50 118.68 125.41 2wof s LEU 534 Ca 0.49 1.59 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 2wof s LEU 534 Cb 0.01 -3.39 0.14 0.00 0.03 0.00 0.00 46.19 42.98 2wof s LEU 534 CO -0.02 -0.04 0.28 -1.81 0.23 0.00 0.00 176.35 174.99 2wof s ASP 535 N 0.06 4.19 -0.77 2.29 1.11 -0.13 -4.59 116.67 118.83 2wof s ASP 535 Ca 0.43 -3.04 -0.26 0.00 0.18 0.00 0.00 52.55 49.86 2wof s ASP 535 Cb -0.22 -1.49 -0.01 0.00 1.07 0.00 0.00 42.92 42.27 2wof s ASP 535 CO 0.26 -0.22 1.72 -0.69 1.18 0.00 0.00 175.17 177.42 2wof s VAL 536 N -0.29 3.52 -1.72 -1.27 1.01 -1.26 -3.12 120.40 117.27 2wof s VAL 536 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2wof s VAL 536 Cb -0.23 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.87 2wof s VAL 536 CO -0.02 -1.23 0.00 -0.67 0.00 0.00 0.00 175.10 173.18 2wof n ASP 537 N 11.96 -4.61 0.00 3.32 -0.08 0.28 -4.53 116.55 122.89 2wof n ASP 537 Ca 0.24 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 2wof n ASP 537 Cb 0.50 -4.09 0.00 0.00 2.34 0.00 0.00 41.12 39.87 2wof n ASP 537 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wof n GLY 538 N -0.47 2.81 0.13 0.27 0.00 -1.18 -4.78 105.19 101.96 2wof n GLY 538 Ca -0.18 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.54 2wof n GLY 538 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2wof h GLU 539 N 0.00 0.00 -6.18 1.61 9.09 -1.85 -3.41 114.58 113.83 2wof h GLU 539 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 2wof h GLU 539 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.04 2wof h GLU 539 CO 0.00 0.26 1.20 -0.80 0.05 0.00 0.00 179.01 179.72 2wof s ASN 540 N -5.95 5.74 0.23 3.06 0.01 -1.26 -3.11 114.94 113.66 2wof s ASN 540 Ca 0.01 -0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.21 2wof s ASN 540 Cb 0.08 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.14 2wof s ASN 540 CO 0.77 -2.08 -0.08 0.20 -1.51 0.00 0.00 177.10 174.40 2wof s ASN 541 N 5.85 2.43 0.13 -1.22 0.02 -0.25 -4.33 114.94 117.58 2wof s ASN 541 Ca 0.52 -1.12 0.05 0.00 -1.02 0.00 0.00 52.86 51.29 2wof s ASN 541 Cb -0.10 -0.11 -0.04 0.00 0.02 0.00 0.00 41.25 41.02 2wof s ASN 541 CO 0.19 -0.31 -0.11 -0.44 0.02 0.00 0.00 177.10 176.44 2wof s SER 542 N -3.35 1.83 -0.28 -1.22 0.01 -0.07 -0.96 113.70 109.66 2wof s SER 542 Ca 0.26 -0.91 -0.14 0.00 1.31 0.00 0.00 55.95 56.46 2wof s SER 542 Cb 0.02 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 2wof s SER 542 CO 0.08 -0.25 0.34 -0.22 0.41 0.00 0.00 173.24 173.60 2wof s LEU 543 N -2.83 4.11 -0.07 2.44 2.96 -1.26 -0.64 118.68 123.38 2wof s LEU 543 Ca 0.13 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 2wof s LEU 543 Cb -0.01 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 2wof s LEU 543 CO 0.02 -0.19 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.93 2wof s VAL 544 N 2.02 2.18 0.01 1.68 1.01 0.77 -0.33 120.40 127.74 2wof s VAL 544 Ca 0.13 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2wof s VAL 544 Cb -0.16 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2wof s VAL 544 CO 0.10 0.57 0.18 0.00 0.00 0.00 0.00 175.10 175.95 2wof s ALA 545 N -0.06 3.93 -0.20 5.51 0.00 -0.24 -0.75 121.76 129.95 2wof s ALA 545 Ca -0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 2wof s ALA 545 Cb -0.15 -1.84 0.07 0.00 0.00 0.00 0.00 23.12 21.21 2wof s ALA 545 CO 0.05 0.76 0.09 -1.64 0.00 0.00 0.00 175.76 175.02 2wof s MET 546 N -2.07 0.24 -0.41 0.00 -1.94 0.46 -2.31 119.30 113.27 2wof s MET 546 Ca 0.29 -0.27 -0.10 0.00 -1.71 0.00 0.00 55.69 53.90 2wof s MET 546 Cb -0.13 -1.79 0.07 0.00 2.01 0.00 0.00 34.83 34.99 2wof s MET 546 CO 0.21 -0.73 0.25 -0.51 -0.01 0.00 0.00 175.02 174.22 2wof s ASP 547 N 2.05 5.67 0.21 3.03 1.01 -0.13 -0.76 116.67 127.75 2wof s ASP 547 Ca 0.03 -1.37 -0.32 0.00 0.71 0.00 0.00 52.55 51.60 2wof s ASP 547 Cb -0.16 -2.00 -0.11 0.00 1.01 0.00 0.00 42.92 41.66 2wof s ASP 547 CO -0.14 -0.50 1.66 -2.84 0.21 0.00 0.00 175.17 173.56 2wof s PRO 548 N 1.46 4.15 0.13 8.23 0.02 -1.26 -0.54 135.00 147.19 2wof s PRO 548 Ca 0.03 2.54 0.01 0.00 0.02 0.00 0.00 61.00 63.60 2wof s PRO 548 Cb -0.22 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 2wof s PRO 548 CO 0.03 -0.69 -0.03 0.14 -0.33 0.00 0.00 177.00 176.12 2wof s VAL 549 N 0.94 0.62 -0.18 3.83 -7.23 0.19 -4.89 120.40 113.68 2wof s VAL 549 Ca 0.71 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 2wof s VAL 549 Cb -0.48 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2wof s VAL 549 CO 0.35 -0.69 0.37 -0.69 -0.31 0.00 0.00 175.10 174.13 2wof s VAL 550 N -3.68 5.23 0.10 1.32 1.01 -1.26 -0.79 120.40 122.33 2wof s VAL 550 Ca 0.17 0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.89 2wof s VAL 550 Cb 0.06 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2wof s VAL 550 CO -0.01 0.31 -0.14 -0.54 0.00 0.00 0.00 175.10 174.72 2wof s LYS 551 N 0.94 0.92 0.45 2.72 1.02 -0.59 -4.94 119.74 120.26 2wof s LYS 551 Ca 0.19 -1.11 -0.25 0.00 0.02 0.00 0.00 55.97 54.83 2wof s LYS 551 Cb -0.14 -0.86 -0.08 0.00 -0.52 0.00 0.00 37.83 36.23 2wof s LYS 551 CO 0.07 0.18 1.33 -2.14 -0.92 0.00 0.00 175.35 173.86 2wof s PRO 552 N -2.24 3.72 -0.07 -1.68 0.02 -1.26 -0.14 135.00 133.34 2wof s PRO 552 Ca 0.04 2.19 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 2wof s PRO 552 Cb -0.07 -2.60 -0.04 0.00 0.02 0.00 0.00 34.50 31.82 2wof s PRO 552 CO 0.02 -0.71 1.33 1.21 -0.33 0.00 0.00 177.00 178.53 2wof s ASN 553 N -0.80 6.92 0.00 2.53 2.47 -0.47 -4.69 114.94 120.89 2wof s ASN 553 Ca 0.61 1.92 0.10 0.00 0.42 0.00 0.00 52.86 55.91 2wof s ASN 553 Cb -0.39 -2.55 0.21 0.00 -1.45 0.00 0.00 41.25 37.07 2wof s ASN 553 CO 0.49 -0.71 1.08 0.35 -3.72 0.00 0.00 177.10 174.58 2wof n THR 554 N 4.94 0.63 1.01 -5.21 -2.24 -1.26 -4.67 114.28 107.48 2wof n THR 554 Ca 0.13 -0.81 0.11 0.00 -2.27 0.00 0.00 64.05 61.20 2wof n THR 554 Cb 0.45 0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 2wof n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wof n ALA 555 N 0.48 3.86 0.00 6.98 0.00 -1.26 -5.09 120.51 125.48 2wof n ALA 555 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2wof n ALA 555 Cb 0.35 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2wof n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wof n GLY 556 N 1.44 0.89 0.82 0.00 0.00 -1.26 -5.13 105.19 101.95 2wof n GLY 556 Ca 0.08 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2wof n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wof n GLY 557 N 0.51 -2.26 0.12 -0.02 0.00 -1.26 -4.58 105.19 97.71 2wof n GLY 557 Ca 0.00 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.62 2wof n GLY 557 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wof h PRO 558 N 0.00 0.00 -6.63 1.61 0.11 -2.03 -3.45 132.00 121.61 2wof h PRO 558 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 2wof h PRO 558 Cb 0.00 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.15 2wof h PRO 558 CO 0.00 0.00 0.79 1.03 -0.21 0.00 0.00 178.00 179.61 2wof s ARG 559 N -3.18 4.27 0.21 1.05 1.81 -1.26 -4.92 118.95 116.93 2wof s ARG 559 Ca 0.08 2.23 0.24 0.00 -1.72 0.00 0.00 55.73 56.57 2wof s ARG 559 Cb 0.11 -3.17 0.46 0.00 -0.45 0.00 0.00 34.95 31.90 2wof s ARG 559 CO 0.55 -0.48 1.49 1.79 -0.68 0.00 0.00 175.30 177.97 2wof h THR 560 N 3.95 0.00 -3.57 0.02 1.35 -1.93 -3.41 112.91 109.32 2wof h THR 560 Ca -0.43 -0.63 -0.07 0.00 -0.55 0.00 0.00 66.41 64.73 2wof h THR 560 Cb 1.21 1.42 -0.13 0.00 -1.73 0.00 0.00 68.15 68.91 2wof h THR 560 CO 0.85 0.00 -0.20 -0.94 -0.25 0.00 0.00 175.52 174.99 2wof s SER 561 N -4.80 -0.08 0.09 5.36 1.04 -1.26 -1.37 113.70 112.68 2wof s SER 561 Ca 0.07 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 2wof s SER 561 Cb 0.11 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 2wof s SER 561 CO 0.68 -0.80 0.02 0.42 0.98 0.00 0.00 173.24 174.53 2wof s THR 562 N -3.83 0.16 -0.35 2.02 -4.23 0.80 -4.64 115.64 105.57 2wof s THR 562 Ca 0.04 -1.87 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 2wof s THR 562 Cb 0.03 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.06 2wof s THR 562 CO -0.12 -0.70 0.21 -0.04 -0.54 0.00 0.00 174.62 173.43 2wof s MET 563 N -3.99 3.18 0.40 3.99 -1.94 -1.26 -1.54 119.30 118.14 2wof s MET 563 Ca 0.16 -0.84 0.04 0.00 -1.71 0.00 0.00 55.69 53.34 2wof s MET 563 Cb 0.08 -3.73 -0.04 0.00 2.01 0.00 0.00 34.83 33.14 2wof s MET 563 CO -0.03 -0.55 0.07 -0.65 -0.01 0.00 0.00 175.02 173.85 2wof s GLN 564 N 1.63 1.88 -0.07 2.03 -0.21 0.03 -4.98 119.66 119.98 2wof s GLN 564 Ca 0.04 -2.12 0.05 0.00 0.02 0.00 0.00 55.36 53.36 2wof s GLN 564 Cb -0.18 -0.95 -0.01 0.00 1.00 0.00 0.00 33.01 32.87 2wof s GLN 564 CO 0.08 -0.32 -0.24 0.08 -2.12 0.00 0.00 175.29 172.78 2wof s VAL 565 N -3.14 2.16 -0.53 1.09 1.01 -1.26 0.53 120.40 120.26 2wof s VAL 565 Ca 0.26 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 2wof s VAL 565 Cb 0.05 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.67 2wof s VAL 565 CO 0.13 0.57 0.96 0.21 0.00 0.00 0.00 175.10 176.97 2wof s ASN 566 N -0.09 6.39 -0.12 3.32 3.84 0.30 -4.90 114.94 123.68 2wof s ASN 566 Ca -0.05 -0.18 -0.00 0.00 0.21 0.00 0.00 52.86 52.84 2wof s ASN 566 Cb -0.14 -2.45 -0.02 0.00 -0.55 0.00 0.00 41.25 38.09 2wof s ASN 566 CO 0.04 -1.20 -0.12 -1.58 -2.79 0.00 0.00 177.10 171.45 2wof s GLN 567 N 3.99 3.28 -0.09 0.43 0.74 -1.26 -0.96 119.66 125.79 2wof s GLN 567 Ca 0.33 -0.66 -0.30 0.00 0.05 0.00 0.00 55.36 54.78 2wof s GLN 567 Cb -0.11 -2.63 0.07 0.00 1.10 0.00 0.00 33.01 31.44 2wof s GLN 567 CO 0.22 0.29 0.70 1.52 -0.55 0.00 0.00 175.29 177.47 2wof s TYR 568 N 0.15 -0.66 0.49 1.67 1.13 -0.98 -5.01 117.35 114.15 2wof s TYR 568 Ca -0.06 1.21 -0.16 0.00 -1.41 0.00 0.00 57.07 56.65 2wof s TYR 568 Cb -0.15 0.39 -0.08 0.00 -1.10 0.00 0.00 41.96 41.03 2wof s TYR 568 CO 0.04 -0.56 0.95 -0.80 -2.51 0.00 0.00 175.55 172.67 2wof s ASN 569 N -0.97 6.63 -0.31 -0.18 -0.87 -1.26 -1.08 114.94 116.89 2wof s ASN 569 Ca -0.09 1.50 -0.05 0.00 -1.57 0.00 0.00 52.86 52.66 2wof s ASN 569 Cb -0.01 -2.48 0.04 0.00 -0.02 0.00 0.00 41.25 38.78 2wof s ASN 569 CO 0.08 -0.54 0.05 -0.63 -2.57 0.00 0.00 177.10 173.50 2wof s ILE 570 N -2.55 3.47 -0.74 0.60 1.01 0.55 -4.86 121.20 118.67 2wof s ILE 570 Ca 0.58 -1.15 0.23 0.00 0.00 0.00 0.00 60.65 60.31 2wof s ILE 570 Cb -0.10 -2.94 -0.08 0.00 0.01 0.00 0.00 42.46 39.35 2wof s ILE 570 CO 0.30 -0.09 1.13 0.61 0.00 0.00 0.00 174.94 176.89 2wof n GLY 571 N 4.75 -1.22 3.47 6.18 0.00 -1.26 -4.35 105.19 112.76 2wof n GLY 571 Ca -0.13 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 2wof n GLY 571 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wof s ASN 572 N -3.65 -0.08 0.38 1.61 2.20 -1.26 -0.56 114.94 113.59 2wof s ASN 572 Ca 0.06 -0.80 0.08 0.00 -0.94 0.00 0.00 52.86 51.25 2wof s ASN 572 Cb 0.15 0.52 0.77 0.00 -2.00 0.00 0.00 41.25 40.69 2wof s ASN 572 CO 0.78 -1.02 1.95 -0.33 -2.94 0.00 0.00 177.10 175.54 2wof h GLU 573 N 2.36 0.39 -0.02 3.55 5.08 -1.34 -1.44 114.58 123.17 2wof h GLU 573 Ca -0.29 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 57.78 2wof h GLU 573 Cb 1.24 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.45 2wof h GLU 573 CO 0.41 0.41 -0.87 1.96 -1.00 0.00 0.00 179.01 179.92 2wof h GLN 574 N 0.38 0.62 -0.20 2.33 1.08 -1.85 -2.69 115.11 114.78 2wof h GLN 574 Ca 0.09 -0.64 -0.08 0.00 -1.45 0.00 0.00 58.65 56.57 2wof h GLN 574 Cb 0.24 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2wof h GLN 574 CO 0.00 1.25 -0.21 -0.44 -0.95 0.00 0.00 178.83 178.49 2wof h ASP 575 N 0.25 0.35 0.62 1.46 3.32 -1.92 -2.92 116.42 117.58 2wof h ASP 575 Ca -0.10 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2wof h ASP 575 Cb 1.54 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.00 2wof h ASP 575 CO 0.17 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.26 2wof n ALA 576 N -2.48 1.81 -3.05 3.45 0.00 -0.56 -4.51 120.51 115.17 2wof n ALA 576 Ca -0.00 -0.06 -0.44 0.00 0.00 0.00 0.00 53.44 52.94 2wof n ALA 576 Cb 0.35 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 2wof n ALA 576 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wof s ALA 577 N -3.01 3.34 0.10 0.00 0.00 -1.05 -3.90 121.76 117.23 2wof s ALA 577 Ca 0.08 -2.16 -0.06 0.00 0.00 0.00 0.00 51.96 49.82 2wof s ALA 577 Cb 0.11 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2wof s ALA 577 CO 0.33 -2.47 0.14 1.14 0.00 0.00 0.00 175.76 174.90 2wof s GLN 578 N 3.01 0.85 0.46 0.00 -2.07 0.31 -5.00 119.66 117.22 2wof s GLN 578 Ca 0.15 -1.10 -0.24 0.00 -1.82 0.00 0.00 55.36 52.35 2wof s GLN 578 Cb -0.22 0.31 -0.07 0.00 -1.09 0.00 0.00 33.01 31.94 2wof s GLN 578 CO 0.07 -0.26 1.34 0.15 -1.32 0.00 0.00 175.29 175.27 2wof s LYS 579 N -3.91 3.65 -0.28 9.60 -0.14 -1.26 -1.71 119.74 125.68 2wof s LYS 579 Ca 0.09 2.21 -0.10 0.00 -1.36 0.00 0.00 55.97 56.81 2wof s LYS 579 Cb 0.06 -2.56 -0.04 0.00 -1.68 0.00 0.00 37.83 33.61 2wof s LYS 579 CO -0.08 -0.78 0.17 0.12 -0.76 0.00 0.00 175.35 174.02 2wof s PHE 580 N -1.29 3.19 -0.25 3.18 5.36 -1.26 -4.83 117.98 122.08 2wof s PHE 580 Ca 0.63 -0.12 -0.19 0.00 -0.96 0.00 0.00 56.93 56.29 2wof s PHE 580 Cb -0.39 -2.36 -0.02 0.00 -0.34 0.00 0.00 43.02 39.90 2wof s PHE 580 CO 0.49 -0.26 0.55 0.34 -1.46 0.00 0.00 175.22 174.88 2wof s ASP 581 N 1.71 6.50 0.00 6.13 -1.08 -1.26 -4.94 116.67 123.73 2wof s ASP 581 Ca 0.06 0.61 0.18 0.00 -0.52 0.00 0.00 52.55 52.88 2wof s ASP 581 Cb -0.16 -2.30 0.97 0.00 -1.46 0.00 0.00 42.92 39.97 2wof s ASP 581 CO 0.09 -0.30 1.53 -0.81 0.52 0.00 0.00 175.17 176.19 2wof n PRO 582 N 5.50 0.36 0.00 4.34 -0.04 -1.26 -1.41 135.00 142.49 2wof n PRO 582 Ca -0.03 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 2wof n PRO 582 Cb 0.50 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.82 2wof n PRO 582 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wof n GLY 583 N 0.21 -0.80 3.90 0.55 0.00 -1.26 -4.91 105.19 102.87 2wof n GLY 583 Ca 0.10 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 2wof n GLY 583 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wof s THR 584 N -2.63 2.89 -0.05 2.61 -4.23 -0.50 -4.48 115.64 109.25 2wof s THR 584 Ca 0.21 -1.28 0.06 0.00 -1.18 0.00 0.00 61.69 59.50 2wof s THR 584 Cb 0.19 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 2wof s THR 584 CO 0.56 -0.03 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.73 2wof s ILE 585 N -2.42 2.11 -0.11 2.99 1.01 0.06 -4.94 121.20 119.91 2wof s ILE 585 Ca 0.48 -1.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 2wof s ILE 585 Cb -0.05 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.69 2wof s ILE 585 CO 0.29 0.57 -0.08 -0.13 0.00 0.00 0.00 174.94 175.59 2wof s ARG 586 N -0.29 1.55 0.03 2.79 1.81 -1.26 -0.40 118.95 123.17 2wof s ARG 586 Ca 0.00 -0.26 0.06 0.00 -1.72 0.00 0.00 55.73 53.81 2wof s ARG 586 Cb -0.13 -1.60 -0.03 0.00 -0.45 0.00 0.00 34.95 32.75 2wof s ARG 586 CO 0.02 -0.26 -0.15 -0.51 -0.68 0.00 0.00 175.30 173.73 2wof s LEU 587 N 1.68 2.76 -0.37 2.53 1.43 0.07 -1.16 118.68 125.62 2wof s LEU 587 Ca 0.05 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 2wof s LEU 587 Cb -0.13 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2wof s LEU 587 CO -0.08 0.27 0.21 -0.22 0.23 0.00 0.00 176.35 176.75 2wof s LEU 588 N -1.39 4.68 0.12 1.79 2.96 -0.40 -0.16 118.68 126.27 2wof s LEU 588 Ca 0.15 -0.93 0.06 0.00 -0.22 0.00 0.00 54.13 53.19 2wof s LEU 588 Cb -0.11 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2wof s LEU 588 CO 0.06 -0.37 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.26 2wof s SER 589 N 1.57 4.85 -0.45 3.68 0.01 0.19 -1.84 113.70 121.71 2wof s SER 589 Ca 0.02 -0.27 -0.15 0.00 1.31 0.00 0.00 55.95 56.87 2wof s SER 589 Cb -0.19 -1.09 0.05 0.00 0.21 0.00 0.00 66.02 65.01 2wof s SER 589 CO 0.07 0.15 0.35 0.21 0.41 0.00 0.00 173.24 174.43 2wof s ASN 590 N -2.46 6.09 0.00 2.44 3.84 0.75 -0.89 114.94 124.70 2wof s ASN 590 Ca 0.25 -1.19 0.17 0.00 0.21 0.00 0.00 52.86 52.31 2wof s ASN 590 Cb -0.11 -2.16 0.88 0.00 -0.55 0.00 0.00 41.25 39.32 2wof s ASN 590 CO 0.18 -0.57 1.50 -0.81 -2.79 0.00 0.00 177.10 174.61 2wof n PRO 591 N 5.16 0.28 0.00 0.43 -0.04 -1.26 -2.79 135.00 136.78 2wof n PRO 591 Ca -0.12 0.11 0.10 0.00 -0.04 0.00 0.00 63.50 63.55 2wof n PRO 591 Cb 0.45 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 2wof n PRO 591 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wof n ASN 592 N -1.25 0.97 -3.91 3.54 3.02 -1.26 -4.96 115.26 111.40 2wof n ASN 592 Ca 0.09 -0.99 -0.12 0.00 -0.03 0.00 0.00 54.58 53.53 2wof n ASN 592 Cb 0.13 0.99 -0.13 0.00 -0.61 0.00 0.00 39.78 40.16 2wof n ASN 592 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wof s LYS 593 N -2.89 0.14 0.06 3.52 1.02 -1.12 -5.10 119.74 115.37 2wof s LYS 593 Ca 0.08 -0.19 0.03 0.00 0.02 0.00 0.00 55.97 55.90 2wof s LYS 593 Cb 0.15 -0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.41 2wof s LYS 593 CO 0.82 0.00 -0.08 -1.21 -0.92 0.00 0.00 175.35 173.96 2wof s GLU 594 N -0.43 0.64 1.07 1.68 2.02 -1.26 -0.93 118.70 121.50 2wof s GLU 594 Ca -0.04 -0.92 -0.18 0.00 0.02 0.00 0.00 54.97 53.85 2wof s GLU 594 Cb -0.03 -0.35 0.25 0.00 0.10 0.00 0.00 34.13 34.10 2wof s GLU 594 CO -0.00 0.05 1.26 0.54 0.02 0.00 0.00 175.26 177.13 2wof s ASN 595 N -1.95 2.10 0.48 -0.19 4.22 0.15 -4.82 114.94 114.94 2wof s ASN 595 Ca -0.04 0.33 0.27 0.00 -2.14 0.00 0.00 52.86 51.28 2wof s ASN 595 Cb -0.06 -0.38 1.46 0.00 1.28 0.00 0.00 41.25 43.54 2wof s ASN 595 CO -0.00 -3.37 1.80 -0.09 -2.04 0.00 0.00 177.10 173.40 2wof h ARG 596 N -2.07 0.00 -0.63 3.55 2.43 -1.88 -0.60 114.38 115.17 2wof h ARG 596 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2wof h ARG 596 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2wof h ARG 596 CO 0.33 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.46 2wof n MET 597 N -2.54 2.80 -1.06 0.20 2.81 -1.26 -4.94 117.12 113.13 2wof n MET 597 Ca -0.02 -2.52 -0.02 0.00 -1.81 0.00 0.00 57.70 53.33 2wof n MET 597 Cb 0.18 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.18 2wof n MET 597 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wof n GLY 598 N 1.33 0.54 3.85 3.03 0.00 -0.23 -5.04 105.19 108.67 2wof n GLY 598 Ca 0.21 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 2wof n GLY 598 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wof s ASN 599 N -2.98 6.33 0.17 1.61 0.02 -1.26 -4.85 114.94 113.98 2wof s ASN 599 Ca 0.00 0.42 -0.34 0.00 -1.02 0.00 0.00 52.86 51.92 2wof s ASN 599 Cb 0.00 -2.06 -0.14 0.00 0.02 0.00 0.00 41.25 39.07 2wof s ASN 599 CO 0.00 0.37 1.59 -2.65 0.02 0.00 0.00 177.10 176.43 2wof n PRO 600 N 2.27 2.21 -2.03 -0.60 -0.02 -1.26 0.33 135.00 135.90 2wof n PRO 600 Ca -0.19 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 2wof n PRO 600 Cb 0.54 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 2wof n PRO 600 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wof s VAL 601 N 0.93 2.89 0.06 -1.45 -7.23 -0.11 -4.72 120.40 110.77 2wof s VAL 601 Ca 0.78 0.65 -0.05 0.00 -1.81 0.00 0.00 61.98 61.55 2wof s VAL 601 Cb -0.66 -3.41 -0.02 0.00 0.56 0.00 0.00 36.38 32.85 2wof s VAL 601 CO 0.37 0.05 0.09 -0.44 -0.31 0.00 0.00 175.10 174.86 2wof s SER 602 N 1.07 0.26 -0.07 4.85 0.01 -1.04 -0.18 113.70 118.61 2wof s SER 602 Ca 0.67 -0.73 0.04 0.00 1.31 0.00 0.00 55.95 57.24 2wof s SER 602 Cb -0.41 0.26 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 2wof s SER 602 CO 0.32 -0.61 -0.18 -0.31 0.41 0.00 0.00 173.24 172.86 2wof s TYR 603 N -3.47 2.62 -0.09 2.43 1.51 -0.76 0.11 117.35 119.70 2wof s TYR 603 Ca 0.02 -0.46 -0.21 0.00 -1.01 0.00 0.00 57.07 55.42 2wof s TYR 603 Cb 0.04 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 2wof s TYR 603 CO -0.09 -0.04 0.58 -1.14 -1.11 0.00 0.00 175.55 173.75 2wof s GLN 604 N -0.31 4.38 -0.26 -0.62 0.74 0.12 -1.27 119.66 122.43 2wof s GLN 604 Ca 0.02 0.65 -0.08 0.00 0.05 0.00 0.00 55.36 55.99 2wof s GLN 604 Cb -0.13 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 2wof s GLN 604 CO 0.03 0.14 0.11 0.42 -0.55 0.00 0.00 175.29 175.43 2wof s ILE 605 N 0.63 4.57 -0.40 -2.34 1.01 -0.31 -1.28 121.20 123.08 2wof s ILE 605 Ca 0.31 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.85 2wof s ILE 605 Cb -0.16 -3.18 0.11 0.00 0.01 0.00 0.00 42.46 39.25 2wof s ILE 605 CO 0.14 0.28 0.15 -0.63 0.00 0.00 0.00 174.94 174.88 2wof s ILE 606 N 1.65 1.83 -0.02 2.92 1.01 0.14 -4.47 121.20 124.26 2wof s ILE 606 Ca 0.06 -2.40 0.32 0.00 0.00 0.00 0.00 60.65 58.62 2wof s ILE 606 Cb -0.16 -2.32 0.38 0.00 0.01 0.00 0.00 42.46 40.37 2wof s ILE 606 CO 0.06 -0.73 1.91 -0.65 0.00 0.00 0.00 174.94 175.53 2wof h PRO 607 N 7.26 0.00 -3.36 2.79 0.11 -1.89 -0.80 132.00 136.11 2wof h PRO 607 Ca -0.06 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.49 2wof h PRO 607 Cb 0.97 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.68 2wof h PRO 607 CO 0.54 0.00 -0.76 -0.47 -0.21 0.00 0.00 178.00 177.10 2wof s TYR 608 N -3.58 1.26 -0.81 0.65 5.04 -1.26 -4.56 117.35 114.09 2wof s TYR 608 Ca 0.02 -1.39 0.14 0.00 -2.44 0.00 0.00 57.07 53.41 2wof s TYR 608 Cb 0.08 -1.41 0.46 0.00 0.35 0.00 0.00 41.96 41.45 2wof s TYR 608 CO 0.56 -0.83 1.38 0.00 -1.34 0.00 0.00 175.55 175.32 2wof n ALA 609 N 4.98 2.58 0.00 3.97 0.00 0.09 -4.89 120.51 127.24 2wof n ALA 609 Ca -0.04 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.84 2wof n ALA 609 Cb 0.43 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2wof n ALA 609 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wof n GLY 610 N 0.40 1.47 0.00 0.00 0.00 -1.22 -4.75 105.19 101.10 2wof n GLY 610 Ca 0.17 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2wof n GLY 610 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wof n GLY 611 N -1.48 1.28 0.00 -0.02 0.00 -1.26 -1.56 105.19 102.15 2wof n GLY 611 Ca 0.00 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.59 2wof n GLY 611 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wof n THR 612 N -0.20 0.01 -4.16 2.61 -2.24 -0.19 -4.87 114.28 105.24 2wof n THR 612 Ca 0.00 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.50 2wof n THR 612 Cb 0.00 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 2wof n THR 612 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2wof s HIS 613 N -3.05 2.74 0.64 4.78 3.76 -1.26 -4.95 115.29 117.95 2wof s HIS 613 Ca 0.07 -0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 54.50 2wof s HIS 613 Cb 0.16 -1.48 -0.03 0.00 1.11 0.00 0.00 32.58 32.34 2wof s HIS 613 CO 0.83 0.44 1.05 -2.30 -0.85 0.00 0.00 174.74 173.92 2wof n PRO 614 N -1.07 0.86 -3.43 8.40 -0.02 -1.26 -4.85 135.00 133.63 2wof n PRO 614 Ca -0.04 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 2wof n PRO 614 Cb 0.60 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 2wof n PRO 614 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wof s VAL 615 N -1.54 4.94 -0.12 -1.45 1.01 -1.26 -1.20 120.40 120.78 2wof s VAL 615 Ca 0.78 0.81 -0.25 0.00 0.00 0.00 0.00 61.98 63.31 2wof s VAL 615 Cb -0.39 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2wof s VAL 615 CO 0.45 0.40 0.82 0.00 0.00 0.00 0.00 175.10 176.77 2wof s ALA 616 N -1.28 3.42 0.09 5.51 0.00 -1.08 -4.52 121.76 123.89 2wof s ALA 616 Ca 0.31 0.13 0.34 0.00 0.00 0.00 0.00 51.96 52.74 2wof s ALA 616 Cb -0.16 -3.17 1.41 0.00 0.00 0.00 0.00 23.12 21.20 2wof s ALA 616 CO 0.17 -0.45 1.99 0.87 0.00 0.00 0.00 175.76 178.34 2wof h LYS 617 N 7.11 0.00 0.00 0.00 1.79 -1.97 -3.43 116.57 120.06 2wof h LYS 617 Ca -0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2wof h LYS 617 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2wof h LYS 617 CO 0.80 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.58 2wof n GLY 618 N -0.06 -0.66 3.70 3.86 0.00 -1.26 -4.88 105.19 105.88 2wof n GLY 618 Ca 0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2wof n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wof s ALA 619 N -1.00 3.32 -1.36 4.61 0.00 -1.18 -4.92 121.76 121.23 2wof s ALA 619 Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 2wof s ALA 619 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 2wof s ALA 619 CO 0.00 -0.45 2.97 1.04 0.00 0.00 0.00 175.76 179.32 2wof n GLN 620 N 4.57 3.59 -3.84 0.00 1.13 -1.26 -4.80 117.38 116.76 2wof n GLN 620 Ca 0.07 -2.23 -0.13 0.00 -1.94 0.00 0.00 57.00 52.77 2wof n GLN 620 Cb 0.50 -2.66 -0.14 0.00 0.11 0.00 0.00 30.24 28.05 2wof n GLN 620 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2wof s PHE 621 N 1.47 -0.04 0.46 1.08 0.40 -1.26 -4.99 117.98 115.10 2wof s PHE 621 Ca 0.67 0.12 -0.25 0.00 -0.60 0.00 0.00 56.93 56.87 2wof s PHE 621 Cb 0.20 -0.02 -0.08 0.00 0.51 0.00 0.00 43.02 43.63 2wof s PHE 621 CO -0.06 -0.04 1.44 0.00 0.70 0.00 0.00 175.22 177.26 2wof s ALA 622 N 0.22 3.24 -1.50 5.36 0.00 -1.26 -4.88 121.76 122.94 2wof s ALA 622 Ca -0.02 1.49 0.07 0.00 0.00 0.00 0.00 51.96 53.50 2wof s ALA 622 Cb -0.02 -3.60 0.35 0.00 0.00 0.00 0.00 23.12 19.84 2wof s ALA 622 CO -0.01 -1.23 1.04 -0.35 0.00 0.00 0.00 175.76 175.22 2wof n PRO 623 N -0.23 0.11 -0.20 0.00 -0.04 -1.26 -0.90 135.00 132.49 2wof n PRO 623 Ca 0.05 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 2wof n PRO 623 Cb 0.42 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.62 2wof n PRO 623 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wof n ASP 624 N -1.25 3.33 -4.78 3.54 5.75 -1.26 -4.66 116.55 117.22 2wof n ASP 624 Ca 0.03 -1.97 -0.36 0.00 -0.01 0.00 0.00 54.79 52.48 2wof n ASP 624 Cb 0.05 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 39.86 2wof n ASP 624 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wof s GLU 625 N -1.48 3.80 0.19 0.11 0.41 -0.08 -4.93 118.70 116.73 2wof s GLU 625 Ca 0.39 1.58 -0.08 0.00 -0.41 0.00 0.00 54.97 56.44 2wof s GLU 625 Cb 0.22 -2.29 0.10 0.00 -1.78 0.00 0.00 34.13 30.38 2wof s GLU 625 CO 0.31 -0.47 1.68 -1.49 -0.49 0.00 0.00 175.26 174.80 2wof h TRP 626 N 1.90 1.18 -0.76 1.61 4.06 -1.89 -1.71 115.95 120.33 2wof h TRP 626 Ca -0.49 -0.17 -0.05 0.00 2.06 0.00 0.00 58.89 60.23 2wof h TRP 626 Cb 1.23 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 29.04 2wof h TRP 626 CO 0.55 1.00 0.27 0.97 -3.56 0.00 0.00 178.44 177.67 2wof h ILE 627 N 1.02 1.26 -0.35 1.49 2.10 -1.92 0.18 117.51 121.28 2wof h ILE 627 Ca 0.19 -0.86 0.05 0.00 1.08 0.00 0.00 64.86 65.32 2wof h ILE 627 Cb 0.48 0.39 -0.04 0.00 -1.09 0.00 0.00 36.82 36.56 2wof h ILE 627 CO 0.02 0.34 0.10 0.22 -1.08 0.00 0.00 178.15 177.76 2wof h TYR 628 N 1.11 0.18 -0.46 2.19 5.03 -1.80 -1.29 116.97 121.94 2wof h TYR 628 Ca 0.25 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.49 2wof h TYR 628 Cb 0.26 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 2wof h TYR 628 CO 0.02 0.06 -0.08 1.25 -1.32 0.00 0.00 178.16 178.09 2wof h HIS 629 N 0.24 0.89 0.00 -3.82 2.76 -0.58 -3.06 115.15 111.58 2wof h HIS 629 Ca 0.16 -0.16 -0.11 0.00 -2.20 0.00 0.00 60.37 58.07 2wof h HIS 629 Cb 0.16 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2wof h HIS 629 CO -0.16 0.86 -0.53 0.00 -1.30 0.00 0.00 177.93 176.81 2wof h ARG 630 N 0.74 0.00 -2.09 5.26 3.08 -0.28 -3.39 114.38 117.71 2wof h ARG 630 Ca 0.13 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.60 2wof h ARG 630 Cb 0.57 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.22 2wof h ARG 630 CO 0.03 0.53 -0.87 1.28 -1.07 0.00 0.00 179.97 179.87 2wof n LEU 631 N -3.62 1.84 0.16 3.04 4.77 -0.52 -4.07 117.00 118.60 2wof n LEU 631 Ca -0.00 -5.04 0.15 0.00 -0.03 0.00 0.00 56.01 51.09 2wof n LEU 631 Cb 0.59 0.03 0.73 0.00 -2.33 0.00 0.00 43.42 42.45 2wof n LEU 631 CO 0.40 2.06 1.13 0.28 -1.33 0.00 0.00 177.39 179.94 2wof h SER 632 N 4.08 0.00 0.30 -1.43 0.02 -1.76 -2.95 113.55 111.81 2wof h SER 632 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2wof h SER 632 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2wof h SER 632 CO 0.64 0.00 0.00 2.19 -1.14 0.00 0.00 176.83 178.52 2wof h PHE 633 N 0.00 0.00 0.00 3.45 -5.15 -1.91 -1.57 116.94 111.76 2wof h PHE 633 Ca 0.11 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.88 2wof h PHE 633 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.65 2wof h PHE 633 CO 0.00 0.00 0.00 0.52 -2.00 0.00 0.00 178.31 176.83 2wof h MET 634 N 0.00 0.00 -0.03 6.09 2.86 -1.91 -3.29 114.93 118.64 2wof h MET 634 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wof h MET 634 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2wof h MET 634 CO 0.00 0.00 0.00 -3.47 1.06 0.00 0.00 176.91 174.50 2wof n ASP 635 N -2.83 1.95 -4.08 1.22 2.03 -0.59 -3.10 116.55 111.16 2wof n ASP 635 Ca 0.01 -1.48 -0.17 0.00 0.52 0.00 0.00 54.79 53.67 2wof n ASP 635 Cb 0.26 -0.02 -0.13 0.00 -0.72 0.00 0.00 41.12 40.51 2wof n ASP 635 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wof s LYS 636 N -0.89 0.70 0.16 -0.67 -0.14 -1.24 -4.74 119.74 112.92 2wof s LYS 636 Ca 0.13 -0.62 0.23 0.00 -1.36 0.00 0.00 55.97 54.35 2wof s LYS 636 Cb 0.09 -0.64 0.01 0.00 -1.68 0.00 0.00 37.83 35.61 2wof s LYS 636 CO 0.13 0.15 1.02 1.04 -0.76 0.00 0.00 175.35 176.94 2wof n GLN 637 N 2.04 0.55 -4.54 1.68 3.00 -0.83 -4.44 117.38 114.83 2wof n GLN 637 Ca -0.18 0.08 -0.22 0.00 -0.01 0.00 0.00 57.00 56.67 2wof n GLN 637 Cb 0.55 -1.77 -0.15 0.00 0.00 0.00 0.00 30.24 28.87 2wof n GLN 637 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2wof s LEU 638 N -5.06 1.89 0.03 1.08 2.96 -0.69 -0.56 118.68 118.32 2wof s LEU 638 Ca -0.00 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2wof s LEU 638 Cb 0.11 -0.67 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 2wof s LEU 638 CO 0.79 0.11 -0.05 0.26 -1.32 0.00 0.00 176.35 176.15 2wof s TRP 639 N -0.01 0.46 -0.06 5.38 0.52 -0.45 -0.53 118.94 124.25 2wof s TRP 639 Ca -0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 55.67 2wof s TRP 639 Cb -0.08 -0.29 0.04 0.00 -1.15 0.00 0.00 33.47 31.99 2wof s TRP 639 CO 0.00 -0.10 0.12 0.08 0.02 0.00 0.00 176.95 177.07 2wof s VAL 640 N -1.15 -0.11 0.19 4.03 1.01 -1.26 -0.41 120.40 122.70 2wof s VAL 640 Ca -0.10 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.19 2wof s VAL 640 Cb -0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 2wof s VAL 640 CO -0.00 0.11 -0.08 0.42 0.00 0.00 0.00 175.10 175.55 2wof s THR 641 N 1.53 1.29 0.22 3.92 -4.23 -0.07 -4.61 115.64 113.69 2wof s THR 641 Ca -0.05 -2.09 -0.30 0.00 -1.18 0.00 0.00 61.69 58.07 2wof s THR 641 Cb -0.12 -2.08 -0.09 0.00 1.34 0.00 0.00 72.50 71.55 2wof s THR 641 CO -0.05 -0.56 1.33 -0.13 -0.54 0.00 0.00 174.62 174.67 2wof s ARG 642 N -3.76 4.37 0.13 3.99 0.52 -1.26 -0.36 118.95 122.57 2wof s ARG 642 Ca 0.22 2.11 -0.35 0.00 -0.52 0.00 0.00 55.73 57.19 2wof s ARG 642 Cb 0.03 -3.17 -0.15 0.00 0.52 0.00 0.00 34.95 32.18 2wof s ARG 642 CO 0.05 -0.27 1.46 0.98 0.02 0.00 0.00 175.30 177.54 2wof n TYR 643 N 2.41 1.91 -3.69 -0.53 9.36 -0.11 -4.74 117.16 121.76 2wof n TYR 643 Ca 0.06 0.45 -0.11 0.00 3.32 0.00 0.00 57.90 61.61 2wof n TYR 643 Cb 0.42 -2.44 -0.12 0.00 -0.63 0.00 0.00 39.34 36.57 2wof n TYR 643 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2wof s HIS 644 N 0.69 -0.52 0.53 2.98 5.65 -1.26 -5.03 115.29 118.32 2wof s HIS 644 Ca 0.81 1.12 0.18 0.00 0.25 0.00 0.00 55.06 57.42 2wof s HIS 644 Cb -0.81 0.14 1.37 0.00 -1.18 0.00 0.00 32.58 32.10 2wof s HIS 644 CO 0.42 -0.34 2.17 -1.35 -0.65 0.00 0.00 174.74 174.99 2wof h PRO 645 N 7.62 0.00 -0.59 2.88 0.11 -2.04 -1.55 132.00 138.44 2wof h PRO 645 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 2wof h PRO 645 Cb 1.14 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 2wof h PRO 645 CO 0.25 0.00 0.10 0.41 -0.21 0.00 0.00 178.00 178.54 2wof n GLY 646 N -1.50 3.45 3.08 -0.55 0.00 -1.26 -4.78 105.19 103.63 2wof n GLY 646 Ca -0.03 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 2wof n GLY 646 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wof s GLU 647 N -2.88 2.09 0.00 1.61 2.02 -0.58 -4.92 118.70 116.04 2wof s GLU 647 Ca 0.53 -2.14 0.00 0.00 0.02 0.00 0.00 54.97 53.38 2wof s GLU 647 Cb 0.42 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 31.11 2wof s GLU 647 CO 0.14 -1.09 0.00 0.54 0.02 0.00 0.00 175.26 174.87 2wof n ARG 648 N 4.02 3.59 -3.97 1.61 1.74 -1.26 -4.86 116.66 117.53 2wof n ARG 648 Ca 0.03 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.86 2wof n ARG 648 Cb 0.39 -0.57 -0.17 0.00 -1.02 0.00 0.00 32.46 31.09 2wof n ARG 648 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wof s PHE 649 N -1.03 1.18 0.51 -1.55 0.08 -1.26 -4.75 117.98 111.15 2wof s PHE 649 Ca 0.00 -0.50 0.22 0.00 0.12 0.00 0.00 56.93 56.76 2wof s PHE 649 Cb 0.00 -1.04 1.40 0.00 -0.57 0.00 0.00 43.02 42.82 2wof s PHE 649 CO 0.00 -0.40 2.13 -1.00 -0.10 0.00 0.00 175.22 175.85 2wof h PRO 650 N 7.97 0.00 -0.04 0.24 0.13 -1.93 -0.85 132.00 137.52 2wof h PRO 650 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2wof h PRO 650 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2wof h PRO 650 CO 0.38 0.06 0.00 -0.85 -0.23 0.00 0.00 178.00 177.37 2wof n GLU 651 N -4.13 2.22 0.00 0.86 0.00 -1.26 -1.49 120.64 116.84 2wof n GLU 651 Ca -0.03 -1.77 0.00 0.00 0.00 0.00 0.00 57.16 55.37 2wof n GLU 651 Cb 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.12 2wof n GLU 651 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wof n GLY 652 N 1.32 0.60 0.24 -1.84 0.00 -0.33 -4.27 105.19 100.92 2wof n GLY 652 Ca 0.15 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 2wof n GLY 652 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wof h LYS 653 N 0.00 0.73 -2.30 1.61 3.64 -1.82 -3.35 116.57 115.08 2wof h LYS 653 Ca 0.00 -0.04 -0.60 0.00 -1.27 0.00 0.00 60.65 58.74 2wof h LYS 653 Cb 0.00 -0.17 -0.41 0.00 -0.41 0.00 0.00 32.23 31.24 2wof h LYS 653 CO 0.00 0.48 -0.68 0.66 -2.27 0.00 0.00 179.45 177.64 2wof n TYR 654 N -4.71 2.84 1.99 1.91 4.01 -1.26 -4.95 117.16 116.99 2wof n TYR 654 Ca 0.05 -4.06 0.13 0.00 -0.16 0.00 0.00 57.90 53.86 2wof n TYR 654 Cb 0.05 -0.51 0.78 0.00 -0.31 0.00 0.00 39.34 39.36 2wof n TYR 654 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2wof n PRO 655 N 1.16 1.01 -2.33 -0.72 -0.04 -1.26 -4.40 135.00 128.42 2wof n PRO 655 Ca 0.27 -0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 63.29 2wof n PRO 655 Cb 0.42 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 2wof n PRO 655 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wof s ASN 656 N -1.83 6.91 -0.97 3.54 2.47 -1.26 -3.10 114.94 120.70 2wof s ASN 656 Ca 0.40 1.88 -0.06 0.00 0.42 0.00 0.00 52.86 55.50 2wof s ASN 656 Cb 0.18 -2.55 0.05 0.00 -1.45 0.00 0.00 41.25 37.49 2wof s ASN 656 CO 0.31 -0.74 0.25 0.54 -3.72 0.00 0.00 177.10 173.74 2wof n ARG 657 N 6.13 -2.78 -1.68 0.43 1.74 -1.26 -4.32 116.66 114.92 2wof n ARG 657 Ca 0.14 0.37 -0.39 0.00 -0.77 0.00 0.00 57.85 57.20 2wof n ARG 657 Cb 0.45 -4.99 0.04 0.00 -1.02 0.00 0.00 32.46 26.94 2wof n ARG 657 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wof n SER 658 N -1.99 1.79 -0.01 0.55 3.41 -1.18 -4.81 113.62 111.38 2wof n SER 658 Ca -0.04 0.92 0.08 0.00 -0.26 0.00 0.00 58.87 59.57 2wof n SER 658 Cb 0.54 -1.48 -0.13 0.00 -0.26 0.00 0.00 64.21 62.89 2wof n SER 658 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wof n THR 659 N -1.25 0.02 -4.25 6.66 -2.24 -1.26 -4.58 114.28 107.38 2wof n THR 659 Ca 0.12 -0.38 -0.18 0.00 -2.27 0.00 0.00 64.05 61.34 2wof n THR 659 Cb 0.45 0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.72 2wof n THR 659 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2wof s HIS 660 N -3.11 1.62 -0.48 4.78 -3.43 -1.26 -4.91 115.29 108.50 2wof s HIS 660 Ca -0.06 -1.60 -0.25 0.00 -0.80 0.00 0.00 55.06 52.36 2wof s HIS 660 Cb 0.10 -0.61 0.03 0.00 -1.43 0.00 0.00 32.58 30.67 2wof s HIS 660 CO 0.67 -0.90 0.89 0.34 -2.00 0.00 0.00 174.74 173.75 2wof s ASP 661 N -3.34 6.44 0.00 7.38 -1.08 -1.26 -4.86 116.67 119.95 2wof s ASP 661 Ca 0.39 -0.06 0.17 0.00 -0.52 0.00 0.00 52.55 52.53 2wof s ASP 661 Cb 0.02 -2.43 0.44 0.00 -1.46 0.00 0.00 42.92 39.49 2wof s ASP 661 CO 0.26 -1.06 1.36 0.35 0.52 0.00 0.00 175.17 176.59 2wof n THR 662 N 6.30 0.89 0.00 1.71 -2.24 -1.26 -3.53 114.28 116.14 2wof n THR 662 Ca 0.04 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2wof n THR 662 Cb 0.48 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2wof n THR 662 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wof n GLY 663 N 1.06 0.56 0.30 3.38 0.00 -1.26 -4.38 105.19 104.85 2wof n GLY 663 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2wof n GLY 663 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wof h LEU 664 N 0.00 0.10 -0.33 0.99 3.38 -1.42 0.93 115.31 118.96 2wof h LEU 664 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wof h LEU 664 Cb 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2wof h LEU 664 CO 0.00 0.07 0.19 1.23 0.09 0.00 0.00 178.44 180.01 2wof h GLY 665 N 0.11 0.49 1.14 0.83 0.00 -1.83 -2.35 103.07 101.45 2wof h GLY 665 Ca 0.10 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 2wof h GLY 665 CO -0.01 0.21 -0.35 -1.61 0.00 0.00 0.00 176.54 174.77 2wof h GLN 666 N 0.42 0.95 0.00 4.80 4.15 -1.11 -2.85 115.11 121.47 2wof h GLN 666 Ca 0.12 -0.48 -0.04 0.00 0.77 0.00 0.00 58.65 59.01 2wof h GLN 666 Cb 0.05 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2wof h GLN 666 CO -0.02 1.14 -0.21 1.88 -1.93 0.00 0.00 178.83 179.70 2wof h TYR 667 N 0.79 0.00 -0.36 3.99 0.05 -0.62 -2.44 116.97 118.38 2wof h TYR 667 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2wof h TYR 667 Cb 0.95 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.69 2wof h TYR 667 CO 0.06 0.21 0.00 -1.13 -1.05 0.00 0.00 178.16 176.25 2wof n SER 668 N -3.41 3.22 -0.21 3.88 3.41 -0.91 -4.68 113.62 114.91 2wof n SER 668 Ca -0.00 -1.92 -0.06 0.00 -0.26 0.00 0.00 58.87 56.62 2wof n SER 668 Cb 0.40 -0.23 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 2wof n SER 668 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2wof h LYS 669 N 3.74 0.80 -0.00 4.33 3.64 -1.18 -0.62 116.57 127.27 2wof h LYS 669 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2wof h LYS 669 Cb 0.88 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2wof h LYS 669 CO 0.00 0.55 -0.01 -0.25 -2.27 0.00 0.00 179.45 177.48 2wof n ASP 670 N -4.64 0.26 -3.68 4.20 8.00 -1.26 -4.94 116.55 114.49 2wof n ASP 670 Ca 0.04 -1.01 -0.27 0.00 0.71 0.00 0.00 54.79 54.26 2wof n ASP 670 Cb 0.04 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.15 2wof n ASP 670 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2wof n ASN 671 N -0.83 -4.02 -4.43 -2.24 5.15 -0.24 -4.95 115.26 103.70 2wof n ASN 671 Ca 0.22 -0.95 -0.29 0.00 -0.60 0.00 0.00 54.58 52.96 2wof n ASN 671 Cb 0.16 -3.64 0.15 0.00 -0.53 0.00 0.00 39.78 35.92 2wof n ASN 671 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2wof s GLU 672 N -5.89 1.17 0.27 1.20 2.02 -1.26 -4.47 118.70 111.74 2wof s GLU 672 Ca 0.32 -0.27 -0.29 0.00 0.02 0.00 0.00 54.97 54.75 2wof s GLU 672 Cb -0.10 -1.91 -0.09 0.00 0.10 0.00 0.00 34.13 32.12 2wof s GLU 672 CO 0.84 -2.07 1.04 0.45 0.02 0.00 0.00 175.26 175.54 2wof s SER 673 N -4.77 7.39 -0.24 -0.19 0.15 -1.26 -1.11 113.70 113.66 2wof s SER 673 Ca 0.69 2.14 0.11 0.00 0.70 0.00 0.00 55.95 59.59 2wof s SER 673 Cb -0.06 -2.62 0.46 0.00 -1.71 0.00 0.00 66.02 62.09 2wof s SER 673 CO 0.51 -0.05 1.34 0.18 1.20 0.00 0.00 173.24 176.42 2wof n LEU 674 N 1.23 3.41 -4.55 3.45 4.77 0.27 -4.83 117.00 120.76 2wof n LEU 674 Ca -0.01 -3.76 -0.41 0.00 -0.03 0.00 0.00 56.01 51.80 2wof n LEU 674 Cb 0.46 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 2wof n LEU 674 CO 0.52 1.26 0.06 -0.62 -1.33 0.00 0.00 177.39 177.29 2wof s ASP 675 N -2.83 6.20 -1.06 -1.43 2.15 -1.26 -4.22 116.67 114.23 2wof s ASP 675 Ca 0.41 -0.20 -0.16 0.00 0.43 0.00 0.00 52.55 53.03 2wof s ASP 675 Cb 0.38 -2.21 -0.01 0.00 -0.30 0.00 0.00 42.92 40.78 2wof s ASP 675 CO -0.03 -0.36 0.77 -3.20 -0.17 0.00 0.00 175.17 172.19 2wof n ASN 676 N 5.44 -5.61 -3.59 -0.34 5.15 -0.69 -4.97 115.26 110.64 2wof n ASN 676 Ca -0.08 -0.90 -0.09 0.00 -0.60 0.00 0.00 54.58 52.90 2wof n ASN 676 Cb 0.49 -3.48 -0.02 0.00 -0.53 0.00 0.00 39.78 36.24 2wof n ASN 676 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2wof s THR 677 N -3.36 0.00 -0.37 -0.44 -1.32 -0.13 -4.55 115.64 105.47 2wof s THR 677 Ca 0.38 -1.16 -0.29 0.00 -1.21 0.00 0.00 61.69 59.41 2wof s THR 677 Cb -0.13 -2.34 -0.01 0.00 -1.51 0.00 0.00 72.50 68.51 2wof s THR 677 CO 0.85 0.00 1.63 -0.62 -2.21 0.00 0.00 174.62 174.27 2wof s ASP 678 N -3.02 6.09 0.15 8.08 -1.08 -1.18 -1.09 116.67 124.61 2wof s ASP 678 Ca 0.17 1.10 0.05 0.00 -0.52 0.00 0.00 52.55 53.34 2wof s ASP 678 Cb -0.04 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 2wof s ASP 678 CO 0.10 -1.59 0.13 0.00 0.52 0.00 0.00 175.17 174.33 2wof s ALA 679 N 6.24 3.58 -0.13 3.66 0.00 -1.26 -0.94 121.76 132.91 2wof s ALA 679 Ca 0.72 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2wof s ALA 679 Cb -0.19 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 21.56 2wof s ALA 679 CO 0.33 0.55 -0.17 0.08 0.00 0.00 0.00 175.76 176.55 2wof s VAL 680 N -1.68 1.74 -0.11 0.00 1.01 0.51 -4.04 120.40 117.82 2wof s VAL 680 Ca 0.31 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 2wof s VAL 680 Cb -0.10 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2wof s VAL 680 CO 0.23 0.49 0.21 -0.69 0.00 0.00 0.00 175.10 175.34 2wof s VAL 681 N 1.08 5.37 -0.08 2.92 1.01 -0.26 -0.89 120.40 129.55 2wof s VAL 681 Ca -0.03 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2wof s VAL 681 Cb -0.14 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.74 2wof s VAL 681 CO -0.05 0.55 -0.18 0.26 0.00 0.00 0.00 175.10 175.68 2wof s TRP 682 N -0.60 2.01 -0.17 5.22 0.52 0.45 -0.22 118.94 126.14 2wof s TRP 682 Ca 0.16 -0.78 -0.01 0.00 0.02 0.00 0.00 56.10 55.49 2wof s TRP 682 Cb -0.13 -1.39 -0.00 0.00 -1.15 0.00 0.00 33.47 30.80 2wof s TRP 682 CO 0.05 -0.34 -0.12 -1.64 0.02 0.00 0.00 176.95 174.92 2wof s MET 683 N 0.46 3.27 -0.19 4.98 -1.94 -0.10 -1.34 119.30 124.44 2wof s MET 683 Ca -0.16 -0.71 -0.05 0.00 -1.71 0.00 0.00 55.69 53.06 2wof s MET 683 Cb -0.17 -2.74 -0.03 0.00 2.01 0.00 0.00 34.83 33.91 2wof s MET 683 CO 0.06 -0.05 0.01 0.99 -0.01 0.00 0.00 175.02 176.02 2wof s THR 684 N 1.01 4.11 -0.02 2.05 2.01 0.28 -0.66 115.64 124.41 2wof s THR 684 Ca -0.01 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.76 2wof s THR 684 Cb -0.15 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 2wof s THR 684 CO -0.02 0.44 -0.12 0.28 -0.69 0.00 0.00 174.62 174.51 2wof s THR 685 N 0.85 0.93 0.11 -0.82 -1.32 -0.40 -4.42 115.64 110.57 2wof s THR 685 Ca 0.01 -0.49 -0.05 0.00 -1.21 0.00 0.00 61.69 59.96 2wof s THR 685 Cb -0.14 -0.79 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 2wof s THR 685 CO 0.02 0.27 0.12 -0.83 -2.21 0.00 0.00 174.62 171.99 2wof s GLY 686 N -0.15 0.54 0.19 6.08 0.00 -1.26 -0.54 107.32 112.19 2wof s GLY 686 Ca 0.02 -1.08 0.09 0.00 0.00 0.00 0.00 44.72 43.76 2wof s GLY 686 CO -0.00 -1.10 -0.19 -0.51 0.00 0.00 0.00 173.10 171.30 2wof s THR 687 N -3.95 1.98 -0.23 0.90 -4.23 0.24 -2.63 115.64 107.70 2wof s THR 687 Ca 0.14 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 58.54 2wof s THR 687 Cb 0.06 -1.99 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 2wof s THR 687 CO -0.05 -0.36 -0.02 -0.89 -0.54 0.00 0.00 174.62 172.77 2wof s THR 688 N -2.24 3.55 -0.49 3.99 2.01 -0.34 -2.06 115.64 120.05 2wof s THR 688 Ca 0.20 -0.48 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 2wof s THR 688 Cb -0.05 -2.65 0.09 0.00 0.01 0.00 0.00 72.50 69.90 2wof s THR 688 CO 0.08 0.37 0.42 -2.28 -0.69 0.00 0.00 174.62 172.53 2wof s HIS 689 N 1.50 3.25 -0.24 4.92 5.04 0.71 -4.09 115.29 126.38 2wof s HIS 689 Ca 0.05 -1.10 -0.10 0.00 -1.54 0.00 0.00 55.06 52.38 2wof s HIS 689 Cb -0.15 -3.38 -0.05 0.00 0.04 0.00 0.00 32.58 29.05 2wof s HIS 689 CO -0.02 -0.88 0.15 0.08 -2.34 0.00 0.00 174.74 171.74 2wof s VAL 690 N 1.61 5.24 0.67 0.89 1.01 -1.26 -3.03 120.40 125.53 2wof s VAL 690 Ca 0.04 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 2wof s VAL 690 Cb -0.26 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2wof s VAL 690 CO 0.05 0.34 1.06 0.00 0.00 0.00 0.00 175.10 176.55 2wof s ALA 691 N 1.15 2.96 0.10 5.51 0.00 -1.26 -5.03 121.76 125.19 2wof s ALA 691 Ca 0.07 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 2wof s ALA 691 Cb -0.14 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.93 2wof s ALA 691 CO 0.05 -0.95 0.27 -0.98 0.00 0.00 0.00 175.76 174.15 2wof s ARG 692 N -5.25 0.92 0.53 0.00 1.70 -1.26 -4.65 118.95 110.94 2wof s ARG 692 Ca 0.57 -0.84 0.20 0.00 -0.47 0.00 0.00 55.73 55.19 2wof s ARG 692 Cb -0.11 0.39 1.37 0.00 -0.57 0.00 0.00 34.95 36.02 2wof s ARG 692 CO 0.53 -0.32 2.13 0.00 -1.08 0.00 0.00 175.30 176.56 2wof h ALA 693 N 2.65 2.03 0.00 7.88 0.00 -1.85 -1.89 119.26 128.08 2wof h ALA 693 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wof h ALA 693 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2wof h ALA 693 CO 0.52 -0.13 0.00 0.39 0.00 0.00 0.00 179.25 180.03 2wof n GLU 694 N -4.40 0.07 -0.49 0.00 4.71 -1.26 -2.00 120.64 117.27 2wof n GLU 694 Ca -0.00 0.57 0.08 0.00 -0.01 0.00 0.00 57.16 57.79 2wof n GLU 694 Cb 0.19 -1.73 0.29 0.00 -1.01 0.00 0.00 31.44 29.18 2wof n GLU 694 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wof n GLU 695 N -1.89 3.41 -4.15 3.49 1.02 -0.71 -4.61 120.64 117.20 2wof n GLU 695 Ca -0.01 -2.71 -0.19 0.00 -0.02 0.00 0.00 57.16 54.23 2wof n GLU 695 Cb 0.02 -1.77 -0.16 0.00 -0.02 0.00 0.00 31.44 29.51 2wof n GLU 695 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2wof s TRP 696 N -2.01 0.64 -1.07 -0.32 -0.11 -0.85 -3.43 118.94 111.80 2wof s TRP 696 Ca 0.43 -0.15 0.29 0.00 1.22 0.00 0.00 56.10 57.88 2wof s TRP 696 Cb 0.29 -0.55 1.20 0.00 -1.50 0.00 0.00 33.47 32.91 2wof s TRP 696 CO 0.18 -0.14 1.89 -0.35 -4.62 0.00 0.00 176.95 173.91 2wof n PRO 697 N 3.79 0.07 -4.49 5.86 -0.04 -1.26 -5.01 135.00 133.91 2wof n PRO 697 Ca -0.23 -0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.02 2wof n PRO 697 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 2wof n PRO 697 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2wof s ILE 698 N -2.94 1.02 -0.26 0.52 2.07 -1.24 -4.69 121.20 115.69 2wof s ILE 698 Ca 0.16 -0.69 -0.17 0.00 -1.41 0.00 0.00 60.65 58.54 2wof s ILE 698 Cb 0.19 -0.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.87 2wof s ILE 698 CO 0.54 0.19 0.49 -0.32 -1.91 0.00 0.00 174.94 173.92 2wof s MET 699 N -0.57 4.06 0.20 3.50 -2.45 -0.05 -4.56 119.30 119.43 2wof s MET 699 Ca 0.04 0.27 -0.32 0.00 -1.25 0.00 0.00 55.69 54.43 2wof s MET 699 Cb -0.06 -3.65 -0.14 0.00 1.25 0.00 0.00 34.83 32.23 2wof s MET 699 CO 0.00 -0.34 1.49 -2.30 1.05 0.00 0.00 175.02 174.93 2wof n PRO 700 N 5.49 2.11 -1.69 4.11 -0.02 -1.26 -3.95 135.00 139.80 2wof n PRO 700 Ca -0.05 0.76 -0.44 0.00 -2.02 0.00 0.00 63.50 61.75 2wof n PRO 700 Cb 0.50 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 2wof n PRO 700 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2wof n THR 701 N 2.62 0.26 -4.25 3.45 -1.04 -1.26 -4.80 114.28 109.27 2wof n THR 701 Ca 0.14 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.77 2wof n THR 701 Cb 0.30 -1.91 -0.08 0.00 -1.82 0.00 0.00 70.33 66.82 2wof n THR 701 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wof s GLU 702 N 2.26 2.93 0.06 -2.82 0.41 0.21 -4.86 118.70 116.90 2wof s GLU 702 Ca 0.82 -0.51 0.09 0.00 -0.41 0.00 0.00 54.97 54.95 2wof s GLU 702 Cb -0.57 -2.77 -0.03 0.00 -1.78 0.00 0.00 34.13 28.99 2wof s GLU 702 CO 0.39 0.66 -0.24 -1.58 -0.49 0.00 0.00 175.26 174.00 2wof s TRP 703 N -1.06 2.08 0.11 1.61 0.52 -1.26 -0.47 118.94 120.47 2wof s TRP 703 Ca 0.19 -0.39 0.10 0.00 0.02 0.00 0.00 56.10 56.01 2wof s TRP 703 Cb -0.12 -1.21 -0.04 0.00 -1.15 0.00 0.00 33.47 30.95 2wof s TRP 703 CO 0.09 0.15 -0.25 0.14 0.02 0.00 0.00 176.95 177.10 2wof s VAL 704 N -0.88 2.11 0.02 4.03 -7.23 -0.68 -1.02 120.40 116.75 2wof s VAL 704 Ca 0.10 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 58.67 2wof s VAL 704 Cb -0.10 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 2wof s VAL 704 CO 0.03 0.08 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.70 2wof s HIS 705 N -1.06 1.74 0.16 2.82 0.09 -0.60 -1.82 115.29 116.63 2wof s HIS 705 Ca 0.12 -0.36 0.01 0.00 -0.00 0.00 0.00 55.06 54.84 2wof s HIS 705 Cb -0.10 -1.07 -0.04 0.00 -0.00 0.00 0.00 32.58 31.37 2wof s HIS 705 CO 0.05 0.04 0.00 0.95 -0.00 0.00 0.00 174.74 175.79 2wof s THR 706 N -0.68 0.60 -0.10 1.30 -4.23 -0.60 -0.73 115.64 111.20 2wof s THR 706 Ca 0.07 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.44 2wof s THR 706 Cb -0.08 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.72 2wof s THR 706 CO 0.01 -0.50 0.44 -0.22 -0.54 0.00 0.00 174.62 173.80 2wof s LEU 707 N -3.15 0.34 -0.23 4.79 2.96 -0.31 -2.42 118.68 120.67 2wof s LEU 707 Ca 0.23 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 2wof s LEU 707 Cb 0.06 1.59 0.06 0.00 0.50 0.00 0.00 46.19 48.40 2wof s LEU 707 CO 0.03 -0.31 -0.06 -0.76 -1.32 0.00 0.00 176.35 173.93 2wof s LEU 708 N -0.48 2.50 -0.10 -0.68 1.43 0.79 -0.68 118.68 121.46 2wof s LEU 708 Ca -0.06 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 2wof s LEU 708 Cb -0.03 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 2wof s LEU 708 CO 0.03 -0.23 -0.12 -0.54 0.23 0.00 0.00 176.35 175.72 2wof s LYS 709 N 1.41 3.06 0.33 1.70 1.02 -0.41 -1.23 119.74 125.62 2wof s LYS 709 Ca -0.05 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 2wof s LYS 709 Cb -0.19 -2.56 -0.11 0.00 -0.52 0.00 0.00 37.83 34.46 2wof s LYS 709 CO -0.06 0.39 1.42 -1.25 -0.92 0.00 0.00 175.35 174.93 2wof s PRO 710 N -0.10 4.23 -0.35 -1.68 0.04 -1.26 0.11 135.00 135.98 2wof s PRO 710 Ca -0.01 2.39 0.01 0.00 0.04 0.00 0.00 61.00 63.43 2wof s PRO 710 Cb -0.14 -3.04 0.11 0.00 0.04 0.00 0.00 34.50 31.48 2wof s PRO 710 CO 0.03 -0.40 0.12 -0.46 0.04 0.00 0.00 177.00 176.34 2wof s TRP 711 N -0.82 2.38 -2.00 0.56 -0.11 0.12 -4.73 118.94 114.34 2wof s TRP 711 Ca 0.54 -2.28 0.00 0.00 1.22 0.00 0.00 56.10 55.58 2wof s TRP 711 Cb -0.43 -2.13 0.00 0.00 -1.50 0.00 0.00 33.47 29.41 2wof s TRP 711 CO 0.54 -0.87 0.00 0.09 -4.62 0.00 0.00 176.95 172.09 2wof n ASN 712 N 4.36 -5.62 0.05 5.86 3.02 -1.26 -2.48 115.26 119.19 2wof n ASN 712 Ca 0.02 0.29 -0.10 0.00 -0.03 0.00 0.00 54.58 54.76 2wof n ASN 712 Cb 0.40 -4.80 0.02 0.00 -0.61 0.00 0.00 39.78 34.79 2wof n ASN 712 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2wof h PHE 713 N 0.00 0.54 -5.34 3.10 3.57 -1.85 -3.36 116.94 113.59 2wof h PHE 713 Ca -0.45 -0.24 -0.47 0.00 3.53 0.00 0.00 57.97 60.34 2wof h PHE 713 Cb 1.35 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 2wof h PHE 713 CO 0.56 1.00 -0.25 1.19 -2.23 0.00 0.00 178.31 178.59 2wof n PHE 714 N -3.83 -0.42 0.21 0.41 3.72 -1.26 -4.83 117.46 111.47 2wof n PHE 714 Ca -0.04 -1.88 0.02 0.00 -0.05 0.00 0.00 57.45 55.50 2wof n PHE 714 Cb 0.72 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 2wof n PHE 714 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2wof n ASP 715 N -1.74 0.97 -3.66 4.37 8.00 -1.26 -4.82 116.55 118.41 2wof n ASP 715 Ca -0.05 -0.99 -0.01 0.00 0.71 0.00 0.00 54.79 54.46 2wof n ASP 715 Cb 0.50 0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 41.97 2wof n ASP 715 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2wof s GLU 716 N -0.80 0.67 -0.40 -1.24 -1.05 -1.26 -4.96 118.70 109.66 2wof s GLU 716 Ca 0.04 -0.36 -0.37 0.00 -0.15 0.00 0.00 54.97 54.13 2wof s GLU 716 Cb 0.04 0.24 -0.16 0.00 -0.44 0.00 0.00 34.13 33.81 2wof s GLU 716 CO 0.11 -0.31 1.34 2.41 0.95 0.00 0.00 175.26 179.76 2wof n THR 717 N -0.45 0.00 0.94 1.83 -1.04 -1.26 -4.81 114.28 109.49 2wof n THR 717 Ca -0.07 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.07 2wof n THR 717 Cb 0.62 -0.40 0.48 0.00 -1.82 0.00 0.00 70.33 69.21 2wof n THR 717 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wof n PRO 718 N 3.64 0.04 -0.01 -2.82 -0.02 -1.26 -3.33 135.00 131.25 2wof n PRO 718 Ca 0.28 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 2wof n PRO 718 Cb -0.04 -1.54 0.11 0.00 -0.02 0.00 0.00 33.50 32.00 2wof n PRO 718 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wof n THR 719 N -1.62 0.01 0.19 3.45 -2.24 -1.26 -4.43 114.28 108.39 2wof n THR 719 Ca 0.06 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.40 2wof n THR 719 Cb 0.35 1.48 0.57 0.00 -2.10 0.00 0.00 70.33 70.63 2wof n THR 719 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wof h LEU 720 N 4.68 0.12 0.00 3.22 3.38 -1.94 -3.48 115.31 121.28 2wof h LEU 720 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wof h LEU 720 Cb 1.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2wof h LEU 720 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2wof n GLY 721 N -1.44 2.00 3.77 0.83 0.00 -1.26 -5.02 105.19 104.07 2wof n GLY 721 Ca -0.02 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 2wof n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wof s ALA 722 N -2.30 2.59 0.39 4.61 0.00 -1.26 -5.00 121.76 120.79 2wof s ALA 722 Ca 0.00 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 52.51 2wof s ALA 722 Cb 0.00 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 2wof s ALA 722 CO 0.00 -1.02 1.20 -0.51 0.00 0.00 0.00 175.76 175.43 2wof s LEU 723 N -4.15 4.23 0.08 0.00 1.43 -1.26 -4.94 118.68 114.06 2wof s LEU 723 Ca 0.73 2.42 0.12 0.00 -1.03 0.00 0.00 54.13 56.36 2wof s LEU 723 Cb -0.25 -3.95 0.53 0.00 0.03 0.00 0.00 46.19 42.55 2wof s LEU 723 CO 0.32 -0.67 1.37 0.29 0.23 0.00 0.00 176.35 177.89 2wof n LYS 724 N 0.20 0.05 0.00 1.70 5.02 -1.26 -5.29 118.16 118.57 2wof n LYS 724 Ca 0.04 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 2wof n LYS 724 Cb 0.46 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2wof n LYS 724 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05