#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wo0 s VAL 8 N 0.00 0.46 0.12 2.03 0.11 -0.13 -4.86 120.40 118.12 2wo0 s VAL 8 Ca 0.00 -1.43 -0.31 0.00 -2.93 0.00 0.00 61.98 57.31 2wo0 s VAL 8 Cb 0.00 -1.03 -0.08 0.00 -1.53 0.00 0.00 36.38 33.75 2wo0 s VAL 8 CO 0.00 -0.66 1.36 -2.16 -3.33 0.00 0.00 175.10 170.31 2wo0 s PRO 9 N -2.64 4.34 0.03 1.54 0.04 -1.26 -1.41 135.00 135.65 2wo0 s PRO 9 Ca -0.02 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2wo0 s PRO 9 Cb -0.02 -3.25 -0.17 0.00 0.04 0.00 0.00 34.50 31.09 2wo0 s PRO 9 CO -0.03 -0.40 1.45 1.98 0.04 0.00 0.00 177.00 180.04 2wo0 h MET 10 N 6.61 -0.25 -0.28 4.56 4.05 -0.72 -2.69 114.93 126.21 2wo0 h MET 10 Ca -0.42 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.02 2wo0 h MET 10 Cb 1.21 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 32.05 2wo0 h MET 10 CO 0.85 0.01 0.17 -0.44 0.23 0.00 0.00 176.91 177.73 2wo0 h ASP 11 N -0.48 0.29 -0.86 1.39 3.32 -1.93 -1.50 116.42 116.64 2wo0 h ASP 11 Ca -0.03 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2wo0 h ASP 11 Cb 0.37 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2wo0 h ASP 11 CO 0.04 0.21 0.48 0.50 -1.72 0.00 0.00 179.24 178.75 2wo0 h LYS 12 N 0.36 1.21 0.30 3.56 3.64 -1.96 -1.20 116.57 122.48 2wo0 h LYS 12 Ca 0.11 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2wo0 h LYS 12 Cb -0.02 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2wo0 h LYS 12 CO -0.04 0.88 -0.14 1.15 -2.27 0.00 0.00 179.45 179.03 2wo0 h THR 13 N 1.21 0.51 -0.99 1.00 2.02 -1.34 -1.90 112.91 113.41 2wo0 h THR 13 Ca 0.31 -0.81 0.23 0.00 0.77 0.00 0.00 66.41 66.90 2wo0 h THR 13 Cb 0.02 0.81 -0.12 0.00 -1.74 0.00 0.00 68.15 67.13 2wo0 h THR 13 CO -0.05 0.12 0.58 -0.07 0.37 0.00 0.00 175.52 176.47 2wo0 h LEU 14 N -0.95 0.67 0.03 2.58 -0.00 -1.30 -0.51 115.31 115.83 2wo0 h LEU 14 Ca -0.04 0.13 -0.24 0.00 -0.00 0.00 0.00 57.88 57.73 2wo0 h LEU 14 Cb 0.50 0.02 0.02 0.00 -0.00 0.00 0.00 40.66 41.20 2wo0 h LEU 14 CO 0.07 0.14 -0.95 0.11 -0.00 0.00 0.00 178.44 177.80 2wo0 h LYS 15 N 0.61 0.59 -0.61 1.13 1.57 -1.22 -1.38 116.57 117.26 2wo0 h LYS 15 Ca 0.62 -0.68 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 2wo0 h LYS 15 Cb 1.12 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.59 2wo0 h LYS 15 CO -0.46 1.28 0.41 0.93 -0.57 0.00 0.00 179.45 181.04 2wo0 h GLU 16 N 0.19 0.38 0.00 3.15 5.08 -1.07 -1.08 114.58 121.22 2wo0 h GLU 16 Ca -0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2wo0 h GLU 16 Cb 1.64 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2wo0 h GLU 16 CO 0.19 0.25 0.00 0.35 -1.00 0.00 0.00 179.01 178.80 2wo0 h PHE 17 N 0.39 0.00 0.00 4.33 3.57 -0.68 -3.47 116.94 121.08 2wo0 h PHE 17 Ca 0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2wo0 h PHE 17 Cb 0.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2wo0 h PHE 17 CO -0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 2wo0 n GLY 18 N 0.58 0.66 3.86 2.40 0.00 -0.41 -5.08 105.19 107.21 2wo0 n GLY 18 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2wo0 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wo0 s ALA 19 N -2.00 3.16 -0.23 4.61 0.00 -0.59 -4.88 121.76 121.83 2wo0 s ALA 19 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.85 2wo0 s ALA 19 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 2wo0 s ALA 19 CO 0.00 -0.32 0.13 0.34 0.00 0.00 0.00 175.76 175.91 2wo0 s ASP 20 N -3.45 5.85 -0.21 0.00 2.15 0.58 -4.40 116.67 117.18 2wo0 s ASP 20 Ca 0.55 0.04 -0.07 0.00 0.43 0.00 0.00 52.55 53.51 2wo0 s ASP 20 Cb -0.10 -2.05 -0.03 0.00 -0.30 0.00 0.00 42.92 40.44 2wo0 s ASP 20 CO 0.38 0.06 0.05 -0.69 -0.17 0.00 0.00 175.17 174.81 2wo0 s VAL 21 N 1.05 4.45 -0.13 1.11 1.01 -1.26 -1.92 120.40 124.72 2wo0 s VAL 21 Ca 0.06 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2wo0 s VAL 21 Cb -0.14 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2wo0 s VAL 21 CO 0.04 0.41 -0.21 -1.10 0.00 0.00 0.00 175.10 174.24 2wo0 s GLN 22 N 0.93 3.08 -0.15 2.72 -0.21 -0.41 -5.00 119.66 120.62 2wo0 s GLN 22 Ca 0.03 -0.84 -0.07 0.00 0.02 0.00 0.00 55.36 54.50 2wo0 s GLN 22 Cb -0.14 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 2wo0 s GLN 22 CO 0.03 0.07 0.09 -0.46 -2.12 0.00 0.00 175.29 172.90 2wo0 s TRP 23 N 0.61 3.37 -0.25 0.91 -0.11 -1.26 -0.81 118.94 121.40 2wo0 s TRP 23 Ca -0.11 0.28 0.02 0.00 1.22 0.00 0.00 56.10 57.51 2wo0 s TRP 23 Cb -0.16 -2.01 0.06 0.00 -1.50 0.00 0.00 33.47 29.85 2wo0 s TRP 23 CO 0.03 0.40 -0.11 0.34 -4.62 0.00 0.00 176.95 172.99 2wo0 s ASP 24 N -0.24 4.25 0.32 5.86 -1.08 0.03 -4.98 116.67 120.84 2wo0 s ASP 24 Ca 0.09 -1.31 0.16 0.00 -0.52 0.00 0.00 52.55 50.98 2wo0 s ASP 24 Cb -0.12 -1.48 0.43 0.00 -1.46 0.00 0.00 42.92 40.29 2wo0 s ASP 24 CO 0.01 -0.18 1.62 -0.78 0.52 0.00 0.00 175.17 176.35 2wo0 h ASP 25 N 7.81 0.00 -0.51 -0.34 3.58 -1.95 0.12 116.42 125.12 2wo0 h ASP 25 Ca -0.21 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.14 2wo0 h ASP 25 Cb 1.05 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 2wo0 h ASP 25 CO 0.46 0.47 -0.10 0.22 -2.88 0.00 0.00 179.24 177.42 2wo0 h TYR 26 N 0.00 1.09 -0.03 0.28 3.20 -1.96 -3.00 116.97 116.56 2wo0 h TYR 26 Ca -0.00 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2wo0 h TYR 26 Cb 1.10 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2wo0 h TYR 26 CO 0.00 1.02 -0.09 0.00 -1.64 0.00 0.00 178.16 177.45 2wo0 n ALA 27 N -2.48 2.67 -3.91 1.82 0.00 -1.17 -4.95 120.51 112.49 2wo0 n ALA 27 Ca 0.01 -0.67 -0.28 0.00 0.00 0.00 0.00 53.44 52.50 2wo0 n ALA 27 Cb 0.39 -0.78 0.01 0.00 0.00 0.00 0.00 19.45 19.07 2wo0 n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wo0 n GLN 28 N 1.04 -4.63 -4.69 0.00 1.13 0.27 -4.94 117.38 105.56 2wo0 n GLN 28 Ca 0.13 0.54 -0.25 0.00 -1.94 0.00 0.00 57.00 55.47 2wo0 n GLN 28 Cb 0.55 -5.17 -0.16 0.00 0.11 0.00 0.00 30.24 25.57 2wo0 n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2wo0 s LEU 29 N -7.06 1.75 -0.03 1.08 2.96 -0.37 -4.28 118.68 112.74 2wo0 s LEU 29 Ca 0.37 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 53.79 2wo0 s LEU 29 Cb -0.19 -0.90 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 2wo0 s LEU 29 CO 0.85 0.07 0.43 -0.36 -1.32 0.00 0.00 176.35 176.02 2wo0 s PHE 30 N 0.49 3.68 -0.16 5.38 0.08 -0.58 -0.79 117.98 126.08 2wo0 s PHE 30 Ca -0.13 0.98 0.01 0.00 0.12 0.00 0.00 56.93 57.92 2wo0 s PHE 30 Cb -0.15 -2.37 0.01 0.00 -0.57 0.00 0.00 43.02 39.94 2wo0 s PHE 30 CO 0.04 0.52 -0.19 0.99 -0.10 0.00 0.00 175.22 176.47 2wo0 s THR 31 N -0.64 2.21 -0.13 0.64 2.01 0.01 -1.81 115.64 117.92 2wo0 s THR 31 Ca 0.24 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.34 2wo0 s THR 31 Cb -0.16 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 2wo0 s THR 31 CO 0.13 0.54 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.67 2wo0 s LEU 32 N 1.02 2.49 -0.02 4.42 1.02 0.11 -1.29 118.68 126.43 2wo0 s LEU 32 Ca -0.02 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.74 2wo0 s LEU 32 Cb -0.14 -1.55 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 2wo0 s LEU 32 CO -0.06 0.14 -0.14 -0.63 0.02 0.00 0.00 176.35 175.68 2wo0 s ILE 33 N 0.50 1.10 -0.30 -0.59 1.01 -0.81 0.44 121.20 122.55 2wo0 s ILE 33 Ca -0.11 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 2wo0 s ILE 33 Cb -0.16 -0.93 0.17 0.00 0.01 0.00 0.00 42.46 41.55 2wo0 s ILE 33 CO 0.05 0.31 0.82 -0.75 0.00 0.00 0.00 174.94 175.37 2wo0 s LYS 34 N -0.21 0.41 4.45 2.79 2.20 -0.55 -0.31 119.74 128.52 2wo0 s LYS 34 Ca 0.03 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 2wo0 s LYS 34 Cb -0.07 0.52 0.00 0.00 -1.51 0.00 0.00 37.83 36.78 2wo0 s LYS 34 CO -0.00 -0.28 0.00 -0.25 -0.36 0.00 0.00 175.35 174.46 2wo0 n ASP 35 N 5.30 0.00 0.00 1.43 8.00 -1.26 -1.06 116.55 128.96 2wo0 n ASP 35 Ca -0.07 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.56 2wo0 n ASP 35 Cb 0.52 0.00 0.69 0.00 -0.02 0.00 0.00 41.12 42.30 2wo0 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wo0 n GLY 36 N 0.00 -1.17 3.71 0.44 0.00 -1.26 -4.81 105.19 102.10 2wo0 n GLY 36 Ca 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 2wo0 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wo0 s ALA 37 N -2.54 3.53 -0.28 4.61 0.00 -0.22 -4.44 121.76 122.41 2wo0 s ALA 37 Ca 0.26 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.88 2wo0 s ALA 37 Cb 0.18 -2.58 0.08 0.00 0.00 0.00 0.00 23.12 20.81 2wo0 s ALA 37 CO 0.41 -0.06 0.01 -0.47 0.00 0.00 0.00 175.76 175.65 2wo0 s TYR 38 N 0.79 2.57 -0.12 0.00 6.14 -1.26 -1.48 117.35 123.99 2wo0 s TYR 38 Ca 0.21 -2.07 -0.02 0.00 0.64 0.00 0.00 57.07 55.83 2wo0 s TYR 38 Cb -0.14 -1.96 -0.03 0.00 0.42 0.00 0.00 41.96 40.24 2wo0 s TYR 38 CO 0.08 -0.85 -0.04 0.08 0.64 0.00 0.00 175.55 175.46 2wo0 s VAL 39 N 1.33 3.89 -0.15 3.14 1.01 0.17 -1.30 120.40 128.48 2wo0 s VAL 39 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2wo0 s VAL 39 Cb -0.18 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2wo0 s VAL 39 CO -0.11 0.54 -0.18 -0.54 0.00 0.00 0.00 175.10 174.80 2wo0 s LYS 40 N -0.13 3.12 -0.06 2.72 1.02 0.22 -0.71 119.74 125.92 2wo0 s LYS 40 Ca 0.03 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.18 2wo0 s LYS 40 Cb -0.13 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 2wo0 s LYS 40 CO 0.03 -0.03 0.14 0.54 -0.92 0.00 0.00 175.35 175.10 2wo0 s VAL 41 N 0.89 -0.02 -0.03 3.17 0.11 -0.75 -0.01 120.40 123.75 2wo0 s VAL 41 Ca -0.04 0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2wo0 s VAL 41 Cb -0.15 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2wo0 s VAL 41 CO -0.02 0.03 0.07 -0.54 -3.33 0.00 0.00 175.10 171.31 2wo0 s LYS 42 N 0.58 3.09 0.26 1.54 1.02 -1.26 -1.53 119.74 123.44 2wo0 s LYS 42 Ca -0.04 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 2wo0 s LYS 42 Cb -0.06 -2.88 -0.13 0.00 -0.52 0.00 0.00 37.83 34.24 2wo0 s LYS 42 CO -0.03 0.67 1.32 -2.30 -0.92 0.00 0.00 175.35 174.10 2wo0 n PRO 43 N 1.44 1.92 -0.61 -1.68 -0.02 -1.26 -2.16 135.00 132.63 2wo0 n PRO 43 Ca -0.15 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2wo0 n PRO 43 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2wo0 n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wo0 n GLY 44 N 1.75 1.11 3.80 -1.23 0.00 0.09 -4.96 105.19 105.75 2wo0 n GLY 44 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2wo0 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wo0 s ALA 45 N -2.91 2.82 -0.82 4.61 0.00 -0.92 -4.94 121.76 119.59 2wo0 s ALA 45 Ca 0.00 0.52 0.25 0.00 0.00 0.00 0.00 51.96 52.72 2wo0 s ALA 45 Cb 0.00 -3.25 0.44 0.00 0.00 0.00 0.00 23.12 20.31 2wo0 s ALA 45 CO 0.00 -0.53 1.37 1.04 0.00 0.00 0.00 175.76 177.64 2wo0 n GLN 46 N -1.43 0.14 -4.27 0.00 6.02 -1.26 -4.47 117.38 112.11 2wo0 n GLN 46 Ca 0.09 0.04 -0.15 0.00 -0.01 0.00 0.00 57.00 56.97 2wo0 n GLN 46 Cb 0.53 -1.58 -0.10 0.00 1.02 0.00 0.00 30.24 30.10 2wo0 n GLN 46 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2wo0 s THR 47 N -3.08 0.58 0.34 5.09 -4.23 -1.26 -0.50 115.64 112.57 2wo0 s THR 47 Ca 0.09 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.65 2wo0 s THR 47 Cb 0.16 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 2wo0 s THR 47 CO 0.71 -0.22 0.17 0.00 -0.54 0.00 0.00 174.62 174.73 2wo0 s ALA 48 N -3.74 2.26 -0.07 3.99 0.00 -0.05 -4.62 121.76 119.54 2wo0 s ALA 48 Ca 0.31 -1.65 0.05 0.00 0.00 0.00 0.00 51.96 50.67 2wo0 s ALA 48 Cb 0.07 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.25 2wo0 s ALA 48 CO 0.09 -0.48 -0.24 0.42 0.00 0.00 0.00 175.76 175.55 2wo0 s ILE 49 N -3.44 2.11 -0.14 0.00 -1.09 0.98 -0.99 121.20 118.63 2wo0 s ILE 49 Ca 0.33 -1.04 -0.00 0.00 -2.23 0.00 0.00 60.65 57.71 2wo0 s ILE 49 Cb 0.04 -1.77 0.03 0.00 -1.58 0.00 0.00 42.46 39.17 2wo0 s ILE 49 CO 0.18 0.57 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.68 2wo0 s VAL 50 N -0.02 1.19 -1.32 2.92 1.01 0.42 -0.61 120.40 124.00 2wo0 s VAL 50 Ca -0.08 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 2wo0 s VAL 50 Cb -0.15 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.03 2wo0 s VAL 50 CO 0.05 0.32 0.47 0.59 0.00 0.00 0.00 175.10 176.53 2wo0 n ASN 51 N 4.88 -2.47 0.00 3.32 3.02 -0.42 -0.19 115.26 123.40 2wo0 n ASN 51 Ca -0.13 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 2wo0 n ASN 51 Cb 0.49 -1.71 0.00 0.00 -0.61 0.00 0.00 39.78 37.95 2wo0 n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wo0 n GLY 52 N -2.24 2.76 3.42 7.41 0.00 -1.20 -4.63 105.19 110.71 2wo0 n GLY 52 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2wo0 n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wo0 s GLN 53 N -0.00 2.88 0.37 1.61 -1.52 0.73 -5.06 119.66 118.67 2wo0 s GLN 53 Ca 0.00 -0.71 -0.28 0.00 -1.95 0.00 0.00 55.36 52.42 2wo0 s GLN 53 Cb 0.00 -2.47 -0.11 0.00 -0.22 0.00 0.00 33.01 30.21 2wo0 s GLN 53 CO 0.00 0.43 1.47 -2.30 -0.25 0.00 0.00 175.29 174.64 2wo0 n PRO 54 N 2.87 2.61 -3.99 2.91 -0.02 -1.26 -0.43 135.00 137.68 2wo0 n PRO 54 Ca -0.18 0.91 -0.22 0.00 -2.02 0.00 0.00 63.50 62.00 2wo0 n PRO 54 Cb 0.52 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.21 2wo0 n PRO 54 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wo0 s LEU 55 N -1.87 1.04 0.16 2.45 2.96 -0.16 -4.86 118.68 118.39 2wo0 s LEU 55 Ca 0.54 -0.13 -0.31 0.00 -0.22 0.00 0.00 54.13 54.01 2wo0 s LEU 55 Cb -0.49 -0.49 -0.09 0.00 0.50 0.00 0.00 46.19 45.63 2wo0 s LEU 55 CO 0.63 -0.11 1.40 0.00 -1.32 0.00 0.00 176.35 176.94 2wo0 s ALA 56 N 1.39 3.60 -0.05 5.97 0.00 -1.26 -0.87 121.76 130.54 2wo0 s ALA 56 Ca -0.03 1.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 2wo0 s ALA 56 Cb -0.13 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2wo0 s ALA 56 CO -0.03 -0.63 0.33 -0.51 0.00 0.00 0.00 175.76 174.93 2wo0 s LEU 57 N 0.60 4.42 0.01 0.00 1.43 0.34 -4.92 118.68 120.57 2wo0 s LEU 57 Ca 0.62 0.78 -0.25 0.00 -1.03 0.00 0.00 54.13 54.26 2wo0 s LEU 57 Cb -0.38 -2.44 -0.18 0.00 0.03 0.00 0.00 46.19 43.22 2wo0 s LEU 57 CO 0.34 0.30 1.38 -0.61 0.23 0.00 0.00 176.35 177.99 2wo0 h GLN 58 N 5.11 -0.10 -4.54 1.70 4.15 -1.95 -3.43 115.11 116.05 2wo0 h GLN 58 Ca -0.51 0.01 -0.60 0.00 0.77 0.00 0.00 58.65 58.32 2wo0 h GLN 58 Cb 1.21 0.02 -0.37 0.00 0.21 0.00 0.00 27.48 28.56 2wo0 h GLN 58 CO 0.63 0.23 -0.82 0.08 -1.93 0.00 0.00 178.83 177.03 2wo0 s VAL 59 N -4.84 1.53 0.99 2.39 1.01 -1.26 -5.13 120.40 115.08 2wo0 s VAL 59 Ca -0.15 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 2wo0 s VAL 59 Cb 0.03 -1.56 0.17 0.00 0.00 0.00 0.00 36.38 35.02 2wo0 s VAL 59 CO 0.64 0.27 1.03 -2.65 0.00 0.00 0.00 175.10 174.39 2wo0 n PRO 60 N 4.75 -0.96 -2.69 2.72 -0.02 -1.26 -4.65 135.00 132.89 2wo0 n PRO 60 Ca -0.15 -0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 60.69 2wo0 n PRO 60 Cb 0.48 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2wo0 n PRO 60 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wo0 s VAL 61 N -2.56 4.37 -0.14 -1.45 1.01 -1.26 -4.72 120.40 115.65 2wo0 s VAL 61 Ca 0.66 1.98 -0.00 0.00 0.00 0.00 0.00 61.98 64.62 2wo0 s VAL 61 Cb -0.23 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2wo0 s VAL 61 CO 0.61 0.31 -0.13 0.68 0.00 0.00 0.00 175.10 176.56 2wo0 s VAL 62 N -0.04 2.95 -0.61 2.92 -7.23 -0.16 -0.73 120.40 117.50 2wo0 s VAL 62 Ca 0.48 -0.69 -0.28 0.00 -1.81 0.00 0.00 61.98 59.68 2wo0 s VAL 62 Cb -0.25 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.47 2wo0 s VAL 62 CO 0.31 0.52 1.33 -0.04 -0.31 0.00 0.00 175.10 176.90 2wo0 s MET 63 N 0.55 3.32 -0.67 4.82 -1.94 -1.26 0.70 119.30 124.82 2wo0 s MET 63 Ca -0.08 0.24 -0.03 0.00 -1.71 0.00 0.00 55.69 54.10 2wo0 s MET 63 Cb -0.16 -4.11 0.17 0.00 2.01 0.00 0.00 34.83 32.74 2wo0 s MET 63 CO 0.04 -1.93 0.50 0.21 -0.01 0.00 0.00 175.02 173.82 2wo0 s LYS 64 N 5.44 2.70 0.00 2.03 2.20 0.89 -4.74 119.74 128.27 2wo0 s LYS 64 Ca 0.46 -2.66 0.00 0.00 -0.36 0.00 0.00 55.97 53.41 2wo0 s LYS 64 Cb -0.09 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2wo0 s LYS 64 CO 0.23 -1.19 0.00 -3.47 -0.36 0.00 0.00 175.35 170.55 2wo0 n ASP 65 N 3.29 -1.87 0.00 1.43 2.03 -1.26 -3.78 116.55 116.39 2wo0 n ASP 65 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2wo0 n ASP 65 Cb 0.38 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 2wo0 n ASP 65 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2wo0 n ASN 66 N -0.99 -2.56 -4.39 1.67 4.13 -1.26 -4.94 115.26 106.93 2wo0 n ASN 66 Ca 0.00 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.06 2wo0 n ASN 66 Cb 0.47 -2.84 -0.10 0.00 -1.54 0.00 0.00 39.78 35.76 2wo0 n ASN 66 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2wo0 s LYS 67 N -1.39 1.44 0.01 3.52 -2.85 -1.25 -5.14 119.74 114.09 2wo0 s LYS 67 Ca 0.00 -1.67 0.03 0.00 -1.00 0.00 0.00 55.97 53.33 2wo0 s LYS 67 Cb 0.00 -1.22 -0.03 0.00 -2.06 0.00 0.00 37.83 34.51 2wo0 s LYS 67 CO 0.00 0.16 -0.05 0.00 0.10 0.00 0.00 175.35 175.56 2wo0 s ALA 68 N -2.92 3.08 0.11 0.59 0.00 -1.26 -0.07 121.76 121.29 2wo0 s ALA 68 Ca 0.25 -1.03 0.10 0.00 0.00 0.00 0.00 51.96 51.29 2wo0 s ALA 68 Cb -0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2wo0 s ALA 68 CO 0.09 0.63 -0.24 -1.58 0.00 0.00 0.00 175.76 174.66 2wo0 s TRP 69 N -1.05 2.37 0.12 0.00 0.52 0.22 0.02 118.94 121.15 2wo0 s TRP 69 Ca 0.18 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.98 2wo0 s TRP 69 Cb -0.11 -1.30 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 2wo0 s TRP 69 CO 0.09 0.31 -0.08 0.14 0.02 0.00 0.00 176.95 177.43 2wo0 s VAL 70 N -1.03 0.88 0.70 4.03 -7.23 -0.50 -0.99 120.40 116.26 2wo0 s VAL 70 Ca 0.15 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.19 2wo0 s VAL 70 Cb -0.10 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.13 2wo0 s VAL 70 CO 0.06 -0.80 1.12 -0.24 -0.31 0.00 0.00 175.10 174.93 2wo0 n SER 71 N -0.05 1.17 0.08 4.85 2.88 -1.26 -0.96 113.62 120.33 2wo0 n SER 71 Ca -0.12 0.73 0.11 0.00 -1.33 0.00 0.00 58.87 58.26 2wo0 n SER 71 Cb 0.60 -1.48 0.44 0.00 -0.75 0.00 0.00 64.21 63.02 2wo0 n SER 71 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wo0 n ASP 72 N -1.92 0.43 -0.02 -3.46 5.75 -1.26 -2.34 116.55 113.74 2wo0 n ASP 72 Ca 0.14 0.59 -0.03 0.00 -0.01 0.00 0.00 54.79 55.48 2wo0 n ASP 72 Cb 0.49 -0.69 -0.12 0.00 -1.03 0.00 0.00 41.12 39.76 2wo0 n ASP 72 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2wo0 n THR 73 N -1.96 1.21 -0.14 2.12 -2.24 -1.26 -4.68 114.28 107.32 2wo0 n THR 73 Ca 0.03 -0.74 -0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2wo0 n THR 73 Cb 0.24 -0.65 0.02 0.00 -2.10 0.00 0.00 70.33 67.83 2wo0 n THR 73 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2wo0 n PHE 74 N -2.82 0.02 -0.18 4.78 7.35 -0.99 -0.11 117.46 125.51 2wo0 n PHE 74 Ca -0.17 0.45 -0.04 0.00 -0.76 0.00 0.00 57.45 56.94 2wo0 n PHE 74 Cb 0.94 -0.64 0.06 0.00 0.35 0.00 0.00 39.48 40.19 2wo0 n PHE 74 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2wo0 h ILE 75 N 0.00 0.95 0.03 -2.13 2.04 -1.83 0.25 117.51 116.82 2wo0 h ILE 75 Ca 0.13 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2wo0 h ILE 75 Cb 0.22 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2wo0 h ILE 75 CO -0.36 0.10 -0.02 -1.13 0.00 0.00 0.00 178.15 176.74 2wo0 h ASN 76 N 0.52 -0.04 -0.83 1.72 -0.73 -0.86 -0.56 115.58 114.81 2wo0 h ASN 76 Ca 0.24 -0.55 0.13 0.00 1.87 0.00 0.00 56.30 58.00 2wo0 h ASN 76 Cb 0.15 0.01 -0.14 0.00 0.27 0.00 0.00 38.32 38.61 2wo0 h ASN 76 CO -0.17 0.54 -0.36 0.44 -0.37 0.00 0.00 177.43 177.51 2wo0 h ASP 77 N -0.64 -1.31 0.00 1.15 5.19 -0.93 -2.08 116.42 117.80 2wo0 h ASP 77 Ca -0.00 0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.68 2wo0 h ASP 77 Cb 0.58 0.68 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 2wo0 h ASP 77 CO 0.01 -0.30 -0.14 0.58 -3.12 0.00 0.00 179.24 176.27 2wo0 h VAL 78 N -0.07 0.19 -0.12 -1.35 2.07 -0.46 -2.99 116.25 113.53 2wo0 h VAL 78 Ca 0.30 -1.16 -0.16 0.00 0.82 0.00 0.00 66.70 66.50 2wo0 h VAL 78 Cb 0.58 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2wo0 h VAL 78 CO -0.86 0.06 -0.61 -0.26 0.02 0.00 0.00 177.57 175.92 2wo0 h PHE 79 N -1.00 0.54 -0.47 1.57 0.04 -1.19 -3.11 116.94 113.32 2wo0 h PHE 79 Ca -0.01 -0.21 -0.02 0.00 2.80 0.00 0.00 57.97 60.53 2wo0 h PHE 79 Cb 0.23 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 2wo0 h PHE 79 CO -0.02 0.92 0.02 1.04 -0.60 0.00 0.00 178.31 179.68 2wo0 n GLN 80 N -3.90 4.08 0.30 1.51 6.02 -0.79 -4.51 117.38 120.08 2wo0 n GLN 80 Ca -0.03 -3.05 0.18 0.00 -0.01 0.00 0.00 57.00 54.09 2wo0 n GLN 80 Cb 0.64 -2.11 0.87 0.00 1.02 0.00 0.00 30.24 30.66 2wo0 n GLN 80 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2wo0 h SER 81 N 3.08 0.00 0.00 1.08 4.64 -1.40 -3.47 113.55 117.48 2wo0 h SER 81 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2wo0 h SER 81 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 2wo0 h SER 81 CO 0.42 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 2wo0 n GLY 82 N -0.46 0.51 0.07 -0.77 0.00 -1.26 -4.91 105.19 98.38 2wo0 n GLY 82 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2wo0 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wo0 n LEU 83 N 0.00 0.65 -4.50 0.99 4.77 -1.26 -4.46 117.00 113.19 2wo0 n LEU 83 Ca 0.00 0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 55.98 2wo0 n LEU 83 Cb 0.00 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.72 2wo0 n LEU 83 CO 0.00 -0.10 0.27 -0.62 -1.33 0.00 0.00 177.39 175.61 2wo0 s ASP 84 N -4.14 6.27 0.00 -1.43 2.15 -1.26 -4.68 116.67 113.58 2wo0 s ASP 84 Ca 0.10 -0.48 0.23 0.00 0.43 0.00 0.00 52.55 52.83 2wo0 s ASP 84 Cb 0.14 -2.28 0.55 0.00 -0.30 0.00 0.00 42.92 41.03 2wo0 s ASP 84 CO 0.63 -0.70 1.48 0.00 -0.17 0.00 0.00 175.17 176.41 2wo0 n GLN 85 N 6.00 2.63 -0.30 4.34 6.02 -1.26 -4.38 117.38 130.43 2wo0 n GLN 85 Ca -0.04 -2.50 0.12 0.00 -0.01 0.00 0.00 57.00 54.58 2wo0 n GLN 85 Cb 0.48 -1.55 0.27 0.00 1.02 0.00 0.00 30.24 30.46 2wo0 n GLN 85 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2wo0 h THR 86 N 4.42 0.27 -3.41 5.09 2.02 -1.89 -3.40 112.91 116.01 2wo0 h THR 86 Ca 0.00 -0.05 -0.66 0.00 0.77 0.00 0.00 66.41 66.47 2wo0 h THR 86 Cb 0.99 0.10 -0.27 0.00 -1.74 0.00 0.00 68.15 67.23 2wo0 h THR 86 CO 0.00 0.03 -0.78 -0.36 0.37 0.00 0.00 175.52 174.78 2wo0 s PHE 87 N -5.97 2.77 0.29 3.16 0.40 -1.26 0.40 117.98 117.76 2wo0 s PHE 87 Ca -0.12 -0.64 0.11 0.00 -0.60 0.00 0.00 56.93 55.68 2wo0 s PHE 87 Cb 0.26 -1.80 -0.05 0.00 0.51 0.00 0.00 43.02 41.93 2wo0 s PHE 87 CO 0.77 -0.19 -0.16 -0.65 0.70 0.00 0.00 175.22 175.68 2wo0 s GLN 88 N 0.22 1.66 0.34 0.44 -1.52 -0.65 -4.96 119.66 115.20 2wo0 s GLN 88 Ca -0.09 -1.79 -0.27 0.00 -1.95 0.00 0.00 55.36 51.26 2wo0 s GLN 88 Cb -0.16 -1.65 -0.09 0.00 -0.22 0.00 0.00 33.01 30.89 2wo0 s GLN 88 CO 0.05 0.26 1.15 0.14 -0.25 0.00 0.00 175.29 176.64 2wo0 s VAL 89 N -2.61 3.28 -0.49 1.09 -7.23 -1.26 -3.23 120.40 109.95 2wo0 s VAL 89 Ca 0.30 1.17 -0.16 0.00 -1.81 0.00 0.00 61.98 61.48 2wo0 s VAL 89 Cb -0.02 -3.70 0.08 0.00 0.56 0.00 0.00 36.38 33.30 2wo0 s VAL 89 CO 0.14 0.19 0.42 -0.70 -0.31 0.00 0.00 175.10 174.85 2wo0 s GLU 90 N -1.92 2.99 0.14 4.82 2.12 -1.26 -4.74 118.70 120.84 2wo0 s GLU 90 Ca 0.51 -1.40 0.04 0.00 0.36 0.00 0.00 54.97 54.49 2wo0 s GLU 90 Cb -0.31 -4.16 -0.13 0.00 0.26 0.00 0.00 34.13 29.78 2wo0 s GLU 90 CO 0.40 -1.09 1.31 0.87 -0.54 0.00 0.00 175.26 176.21 2wo0 h LYS 91 N 8.79 0.09 -4.54 4.30 1.57 -1.98 -3.40 116.57 121.39 2wo0 h LYS 91 Ca -0.29 -0.12 -0.64 0.00 -1.87 0.00 0.00 60.65 57.73 2wo0 h LYS 91 Cb 1.11 0.04 -0.39 0.00 0.08 0.00 0.00 32.23 33.07 2wo0 h LYS 91 CO 0.91 0.99 -0.76 1.03 -0.57 0.00 0.00 179.45 181.05 2wo0 s ARG 92 N -2.88 1.64 0.00 3.15 0.52 -1.26 -5.09 118.95 115.03 2wo0 s ARG 92 Ca -0.01 -1.43 -0.30 0.00 -0.52 0.00 0.00 55.73 53.47 2wo0 s ARG 92 Cb 0.10 -2.84 -0.08 0.00 0.52 0.00 0.00 34.95 32.65 2wo0 s ARG 92 CO 0.83 -0.76 1.84 -1.25 0.02 0.00 0.00 175.30 175.97 2wo0 s PRO 93 N 1.15 4.16 0.25 3.54 0.04 -1.26 -4.96 135.00 137.92 2wo0 s PRO 93 Ca 0.01 2.44 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 2wo0 s PRO 93 Cb -0.19 -4.07 -0.14 0.00 0.04 0.00 0.00 34.50 30.14 2wo0 s PRO 93 CO -0.09 -0.91 1.09 1.58 0.04 0.00 0.00 177.00 178.72 2wo0 n HIS 94 N 7.30 1.36 0.29 0.56 -0.00 -1.26 -4.88 115.22 118.59 2wo0 n HIS 94 Ca 0.19 0.67 0.18 0.00 0.46 0.00 0.00 57.72 59.22 2wo0 n HIS 94 Cb 0.42 -2.28 0.83 0.00 -0.12 0.00 0.00 29.99 28.84 2wo0 n HIS 94 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2wo0 h PRO 95 N 2.57 0.00 -0.01 1.57 0.13 -1.95 -2.16 132.00 132.14 2wo0 h PRO 95 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2wo0 h PRO 95 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2wo0 h PRO 95 CO 0.65 0.04 -0.07 1.28 -0.23 0.00 0.00 178.00 179.66 2wo0 n LEU 96 N -3.20 1.43 -4.59 1.56 4.77 -1.26 -4.76 117.00 110.95 2wo0 n LEU 96 Ca -0.01 -0.46 -0.56 0.00 -0.03 0.00 0.00 56.01 54.95 2wo0 n LEU 96 Cb 0.24 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 2wo0 n LEU 96 CO 0.26 0.24 0.88 0.59 -1.33 0.00 0.00 177.39 178.03 2wo0 n ASN 97 N 0.00 1.19 -4.67 -1.43 4.13 -0.82 -4.89 115.26 108.79 2wo0 n ASN 97 Ca 0.17 1.13 -0.31 0.00 1.68 0.00 0.00 54.58 57.25 2wo0 n ASN 97 Cb 0.36 -1.07 0.17 0.00 -1.54 0.00 0.00 39.78 37.70 2wo0 n ASN 97 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wo0 n ALA 98 N 2.73 -0.85 -1.67 5.41 0.00 -1.26 -4.89 120.51 119.97 2wo0 n ALA 98 Ca 0.21 -0.56 -0.50 0.00 0.00 0.00 0.00 53.44 52.59 2wo0 n ALA 98 Cb 0.13 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 2wo0 n ALA 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wo0 n LEU 99 N -4.24 2.92 -4.77 0.00 4.77 -1.26 -4.98 117.00 109.45 2wo0 n LEU 99 Ca 0.12 1.04 -0.29 0.00 -0.03 0.00 0.00 56.01 56.85 2wo0 n LEU 99 Cb 0.52 -1.33 0.14 0.00 -2.33 0.00 0.00 43.42 40.42 2wo0 n LEU 99 CO 0.49 -0.32 0.70 0.42 -1.33 0.00 0.00 177.39 177.35 2wo0 s THR 100 N 2.55 2.03 0.29 -5.08 -4.23 -1.26 -4.77 115.64 105.17 2wo0 s THR 100 Ca 0.88 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.43 2wo0 s THR 100 Cb -0.79 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 70.61 2wo0 s THR 100 CO 0.49 -0.01 1.76 0.00 -0.54 0.00 0.00 174.62 176.32 2wo0 h ALA 101 N -1.54 1.49 -0.26 3.99 0.00 -1.94 0.54 119.26 121.54 2wo0 h ALA 101 Ca -0.51 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2wo0 h ALA 101 Cb 1.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2wo0 h ALA 101 CO 0.61 -0.10 -0.20 -0.44 0.00 0.00 0.00 179.25 179.12 2wo0 h ASP 102 N 0.66 0.62 -0.72 0.00 3.32 -1.99 -1.85 116.42 116.46 2wo0 h ASP 102 Ca 0.53 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2wo0 h ASP 102 Cb 0.83 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 2wo0 h ASP 102 CO -0.39 0.94 0.48 -0.33 -1.72 0.00 0.00 179.24 178.21 2wo0 h GLU 103 N 0.31 0.92 0.15 3.56 5.08 -1.78 0.25 114.58 123.07 2wo0 h GLU 103 Ca 0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wo0 h GLU 103 Cb 0.74 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2wo0 h GLU 103 CO 0.05 0.61 -0.07 0.82 -1.00 0.00 0.00 179.01 179.42 2wo0 h ILE 104 N 0.95 0.91 -0.77 3.13 2.04 -0.57 -0.36 117.51 122.83 2wo0 h ILE 104 Ca 0.27 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2wo0 h ILE 104 Cb -0.06 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2wo0 h ILE 104 CO -0.07 0.06 0.49 0.11 0.00 0.00 0.00 178.15 178.75 2wo0 h LYS 105 N -0.33 0.93 -0.17 2.37 1.57 -1.05 -1.47 116.57 118.41 2wo0 h LYS 105 Ca -0.02 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2wo0 h LYS 105 Cb 0.26 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2wo0 h LYS 105 CO 0.03 0.61 0.07 0.37 -0.57 0.00 0.00 179.45 179.97 2wo0 h GLN 106 N 0.95 0.16 -0.92 3.15 4.15 -0.32 -1.88 115.11 120.40 2wo0 h GLN 106 Ca 0.31 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.75 2wo0 h GLN 106 Cb 0.02 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.62 2wo0 h GLN 106 CO -0.11 0.10 0.60 0.00 -1.93 0.00 0.00 178.83 177.49 2wo0 h ALA 107 N 1.09 1.40 -0.58 3.38 0.00 -0.73 -0.80 119.26 123.02 2wo0 h ALA 107 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2wo0 h ALA 107 Cb 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2wo0 h ALA 107 CO -0.06 0.52 -0.03 0.28 0.00 0.00 0.00 179.25 179.95 2wo0 h VAL 108 N 1.17 1.27 0.17 0.00 2.07 -0.97 -2.52 116.25 117.44 2wo0 h VAL 108 Ca 0.36 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2wo0 h VAL 108 Cb -0.02 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2wo0 h VAL 108 CO -0.10 0.43 -0.08 -0.33 0.02 0.00 0.00 177.57 177.50 2wo0 h GLU 109 N 0.94 -0.22 -0.29 1.57 5.08 -0.77 0.17 114.58 121.06 2wo0 h GLU 109 Ca 0.16 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 2wo0 h GLU 109 Cb 0.60 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 2wo0 h GLU 109 CO 0.04 -0.10 -0.11 0.82 -1.00 0.00 0.00 179.01 178.65 2wo0 h ILE 110 N -0.28 0.62 0.00 3.13 2.04 -0.96 0.53 117.51 122.59 2wo0 h ILE 110 Ca -0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2wo0 h ILE 110 Cb 0.22 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2wo0 h ILE 110 CO 0.04 0.00 -0.30 -0.37 0.00 0.00 0.00 178.15 177.51 2wo0 h VAL 111 N -0.06 0.80 0.00 1.67 -1.51 -1.38 -2.56 116.25 113.21 2wo0 h VAL 111 Ca 0.15 -1.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 2wo0 h VAL 111 Cb 0.28 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2wo0 h VAL 111 CO -0.33 0.30 0.00 0.11 -1.23 0.00 0.00 177.57 176.41 2wo0 h LYS 112 N 0.00 0.00 0.00 5.19 1.57 0.14 -2.92 116.57 120.55 2wo0 h LYS 112 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wo0 h LYS 112 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2wo0 h LYS 112 CO 0.04 0.00 -0.73 0.00 -0.57 0.00 0.00 179.45 178.19 2wo0 h ALA 113 N 2.23 0.63 -2.77 3.86 0.00 -0.71 -3.46 119.26 119.02 2wo0 h ALA 113 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2wo0 h ALA 113 Cb 0.45 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.37 2wo0 h ALA 113 CO 0.00 0.00 0.44 0.45 0.00 0.00 0.00 179.25 180.14 2wo0 s SER 114 N -5.46 4.79 0.36 0.00 0.15 -1.10 -4.91 113.70 107.52 2wo0 s SER 114 Ca 0.02 2.36 0.25 0.00 0.70 0.00 0.00 55.95 59.28 2wo0 s SER 114 Cb 0.09 -2.59 0.60 0.00 -1.71 0.00 0.00 66.02 62.40 2wo0 s SER 114 CO 0.75 -1.86 1.70 0.00 1.20 0.00 0.00 173.24 175.03 2wo0 h ALA 115 N 0.37 1.00 0.00 5.45 0.00 -1.89 -3.00 119.26 121.19 2wo0 h ALA 115 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2wo0 h ALA 115 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wo0 h ALA 115 CO 0.53 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.53 2wo0 n ASP 116 N -2.78 0.02 -4.59 0.00 8.00 -1.26 -4.72 116.55 111.22 2wo0 n ASP 116 Ca 0.04 0.50 -0.43 0.00 0.71 0.00 0.00 54.79 55.62 2wo0 n ASP 116 Cb 0.47 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 2wo0 n ASP 116 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wo0 s PHE 117 N -3.00 2.10 0.08 1.24 2.19 -1.14 -4.99 117.98 114.45 2wo0 s PHE 117 Ca 0.12 0.64 -0.21 0.00 0.33 0.00 0.00 56.93 57.81 2wo0 s PHE 117 Cb 0.16 -4.23 -0.07 0.00 -1.31 0.00 0.00 43.02 37.57 2wo0 s PHE 117 CO 0.46 -2.40 0.62 0.15 1.83 0.00 0.00 175.22 175.87 2wo0 s LYS 118 N 5.43 4.30 0.19 10.12 -0.14 -1.26 -5.00 119.74 133.37 2wo0 s LYS 118 Ca 0.68 0.82 -0.26 0.00 -1.36 0.00 0.00 55.97 55.86 2wo0 s LYS 118 Cb -0.17 -3.26 0.05 0.00 -1.68 0.00 0.00 37.83 32.76 2wo0 s LYS 118 CO 0.32 0.57 1.54 -2.30 -0.76 0.00 0.00 175.35 174.72 2wo0 n PRO 119 N 1.89 -0.36 -0.50 -1.68 -0.02 -1.26 -1.11 135.00 131.96 2wo0 n PRO 119 Ca -0.09 1.52 0.03 0.00 -2.02 0.00 0.00 63.50 62.94 2wo0 n PRO 119 Cb 0.50 -2.24 0.21 0.00 -0.02 0.00 0.00 33.50 31.96 2wo0 n PRO 119 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wo0 n ASN 120 N -5.33 3.58 -4.58 2.55 5.03 -1.26 -4.94 115.26 110.32 2wo0 n ASN 120 Ca 0.05 -2.53 -0.48 0.00 0.87 0.00 0.00 54.58 52.48 2wo0 n ASN 120 Cb 0.31 -0.61 -0.04 0.00 -1.02 0.00 0.00 39.78 38.43 2wo0 n ASN 120 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2wo0 n THR 121 N 0.29 1.00 -3.80 3.41 -1.04 -0.27 -4.77 114.28 109.11 2wo0 n THR 121 Ca 0.16 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.05 61.70 2wo0 n THR 121 Cb 0.79 -0.85 -0.04 0.00 -1.82 0.00 0.00 70.33 68.41 2wo0 n THR 121 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2wo0 s ARG 122 N -0.49 2.39 -0.35 -2.82 0.52 0.22 -4.94 118.95 113.48 2wo0 s ARG 122 Ca 0.72 -1.70 -0.01 0.00 -0.52 0.00 0.00 55.73 54.22 2wo0 s ARG 122 Cb -0.84 -2.20 0.08 0.00 0.52 0.00 0.00 34.95 32.51 2wo0 s ARG 122 CO 0.53 -0.21 0.09 -0.06 0.02 0.00 0.00 175.30 175.67 2wo0 s PHE 123 N -2.55 3.50 0.18 -0.53 0.40 0.28 -0.88 117.98 118.38 2wo0 s PHE 123 Ca 0.44 -2.34 -0.05 0.00 -0.60 0.00 0.00 56.93 54.38 2wo0 s PHE 123 Cb -0.00 -2.72 0.08 0.00 0.51 0.00 0.00 43.02 40.89 2wo0 s PHE 123 CO 0.25 -0.91 1.50 1.79 0.70 0.00 0.00 175.22 178.56 2wo0 h THR 124 N 6.47 1.30 -2.11 0.64 1.35 -1.52 -3.37 112.91 115.67 2wo0 h THR 124 Ca -0.14 -1.71 0.01 0.00 -0.55 0.00 0.00 66.41 64.01 2wo0 h THR 124 Cb 1.05 1.66 -0.22 0.00 -1.73 0.00 0.00 68.15 68.91 2wo0 h THR 124 CO 0.59 0.54 -0.08 -0.70 -0.25 0.00 0.00 175.52 175.63 2wo0 s GLU 125 N -4.11 0.62 -0.36 4.72 2.12 -1.11 -4.95 118.70 115.62 2wo0 s GLU 125 Ca -0.08 1.22 0.02 0.00 0.36 0.00 0.00 54.97 56.49 2wo0 s GLU 125 Cb 0.11 0.31 0.10 0.00 0.26 0.00 0.00 34.13 34.92 2wo0 s GLU 125 CO 0.85 -0.17 0.09 0.42 -0.54 0.00 0.00 175.26 175.92 2wo0 s ILE 126 N 1.97 2.55 0.07 -3.70 1.01 -1.26 -0.85 121.20 120.99 2wo0 s ILE 126 Ca -0.09 -2.29 0.04 0.00 0.00 0.00 0.00 60.65 58.32 2wo0 s ILE 126 Cb -0.08 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 2wo0 s ILE 126 CO -0.18 -0.63 -0.12 -0.44 0.00 0.00 0.00 174.94 173.56 2wo0 s SER 127 N 1.12 1.49 0.11 3.58 0.01 -0.37 -4.72 113.70 114.93 2wo0 s SER 127 Ca 0.10 -0.64 -0.35 0.00 1.31 0.00 0.00 55.95 56.38 2wo0 s SER 127 Cb -0.20 -0.03 -0.17 0.00 0.21 0.00 0.00 66.02 65.84 2wo0 s SER 127 CO -0.07 -0.13 1.19 -0.11 0.41 0.00 0.00 173.24 174.53 2wo0 n LEU 128 N 1.19 1.21 -4.42 2.44 7.94 -1.26 -0.04 117.00 124.07 2wo0 n LEU 128 Ca -0.21 1.14 -0.44 0.00 -1.11 0.00 0.00 56.01 55.39 2wo0 n LEU 128 Cb 0.55 -1.15 -0.05 0.00 0.53 0.00 0.00 43.42 43.30 2wo0 n LEU 128 CO 0.22 -1.37 0.48 -0.22 -1.11 0.00 0.00 177.39 175.39 2wo0 s LEU 129 N 0.60 4.98 0.34 -1.96 2.96 -0.23 -4.56 118.68 120.81 2wo0 s LEU 129 Ca 0.80 -1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.30 2wo0 s LEU 129 Cb -0.96 -2.41 -0.10 0.00 0.50 0.00 0.00 46.19 43.23 2wo0 s LEU 129 CO 0.51 -1.12 1.31 -2.16 -1.32 0.00 0.00 176.35 173.57 2wo0 s PRO 130 N 3.02 4.34 1.18 0.98 0.04 -1.26 -4.47 135.00 138.83 2wo0 s PRO 130 Ca 0.16 2.21 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 2wo0 s PRO 130 Cb -0.20 -3.06 0.21 0.00 0.04 0.00 0.00 34.50 31.49 2wo0 s PRO 130 CO 0.10 -0.20 0.46 -2.30 0.04 0.00 0.00 177.00 175.10 2wo0 n PRO 131 N 0.76 -2.32 -2.77 0.56 -0.02 -1.26 -4.95 135.00 125.00 2wo0 n PRO 131 Ca 0.00 -0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 60.50 2wo0 n PRO 131 Cb 0.42 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 31.97 2wo0 n PRO 131 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2wo0 s ASP 132 N -2.14 6.76 0.24 2.55 1.47 -1.26 -4.86 116.67 119.43 2wo0 s ASP 132 Ca 0.61 1.50 -0.07 0.00 1.18 0.00 0.00 52.55 55.77 2wo0 s ASP 132 Cb -0.17 -2.47 0.42 0.00 -0.34 0.00 0.00 42.92 40.36 2wo0 s ASP 132 CO 0.64 -0.40 1.67 0.50 0.68 0.00 0.00 175.17 178.26 2wo0 h LYS 133 N 1.61 0.21 -0.47 2.11 3.64 -2.00 -1.52 116.57 120.16 2wo0 h LYS 133 Ca -0.48 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.77 2wo0 h LYS 133 Cb 1.18 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2wo0 h LYS 133 CO 0.62 0.14 -0.19 1.49 -2.27 0.00 0.00 179.45 179.24 2wo0 h GLU 134 N 0.21 0.95 -0.62 1.90 4.81 -1.99 -0.46 114.58 119.39 2wo0 h GLU 134 Ca 0.39 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2wo0 h GLU 134 Cb 0.66 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 2wo0 h GLU 134 CO -0.53 1.06 0.36 0.00 -0.73 0.00 0.00 179.01 179.18 2wo0 h ALA 135 N 0.86 0.81 -0.24 2.92 0.00 -1.68 0.28 119.26 122.22 2wo0 h ALA 135 Ca 0.11 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2wo0 h ALA 135 Cb 0.76 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2wo0 h ALA 135 CO 0.06 0.08 -0.07 0.28 0.00 0.00 0.00 179.25 179.60 2wo0 h VAL 136 N 0.70 1.29 -0.75 0.00 2.07 -0.85 -0.04 116.25 118.67 2wo0 h VAL 136 Ca 0.26 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.74 2wo0 h VAL 136 Cb 0.08 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 2wo0 h VAL 136 CO -0.13 0.34 0.46 -0.50 0.02 0.00 0.00 177.57 177.75 2wo0 h TRP 137 N 0.20 0.85 -0.88 1.57 -0.00 -0.84 -1.59 115.95 115.25 2wo0 h TRP 137 Ca 0.06 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 59.01 2wo0 h TRP 137 Cb 0.54 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.16 29.37 2wo0 h TRP 137 CO 0.05 0.44 0.57 0.00 -0.00 0.00 0.00 178.44 179.51 2wo0 h ALA 138 N 1.35 1.17 -0.12 1.49 0.00 0.01 -0.51 119.26 122.65 2wo0 h ALA 138 Ca 0.32 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2wo0 h ALA 138 Cb 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2wo0 h ALA 138 CO -0.15 0.41 -0.03 0.35 0.00 0.00 0.00 179.25 179.83 2wo0 h PHE 139 N 1.10 -0.07 0.00 0.00 3.04 -0.34 0.17 116.94 120.84 2wo0 h PHE 139 Ca 0.36 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.24 2wo0 h PHE 139 Cb 0.02 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 2wo0 h PHE 139 CO -0.02 -0.05 -0.35 0.00 -2.02 0.00 0.00 178.31 175.87 2wo0 h ALA 140 N 1.11 1.15 0.00 2.41 0.00 -0.59 0.73 119.26 124.08 2wo0 h ALA 140 Ca 0.06 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.39 2wo0 h ALA 140 Cb 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2wo0 h ALA 140 CO -0.12 0.43 -1.99 1.28 0.00 0.00 0.00 179.25 178.85 2wo0 n LEU 141 N -3.72 1.84 -0.07 0.00 4.77 -0.27 -4.61 117.00 114.93 2wo0 n LEU 141 Ca -0.01 -0.06 0.04 0.00 -0.03 0.00 0.00 56.01 55.95 2wo0 n LEU 141 Cb 0.44 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2wo0 n LEU 141 CO 0.37 0.62 0.06 -0.62 -1.33 0.00 0.00 177.39 176.49 2wo0 n GLU 142 N -2.83 3.61 -1.22 3.23 4.71 0.50 -5.00 120.64 123.66 2wo0 n GLU 142 Ca -0.28 -0.20 -0.07 0.00 -0.01 0.00 0.00 57.16 56.60 2wo0 n GLU 142 Cb 0.88 -0.93 -0.03 0.00 -1.01 0.00 0.00 31.44 30.35 2wo0 n GLU 142 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2wo0 n ASN 143 N -0.86 -4.58 -4.68 1.62 3.02 0.25 -4.95 115.26 105.09 2wo0 n ASN 143 Ca 0.02 0.19 -0.46 0.00 -0.03 0.00 0.00 54.58 54.30 2wo0 n ASN 143 Cb 0.14 -2.74 -0.04 0.00 -0.61 0.00 0.00 39.78 36.54 2wo0 n ASN 143 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wo0 n LYS 144 N -1.89 2.28 -1.76 3.52 5.02 -1.16 -4.87 118.16 119.30 2wo0 n LYS 144 Ca -0.07 0.83 -0.40 0.00 -2.02 0.00 0.00 58.31 56.64 2wo0 n LYS 144 Cb 0.36 -2.64 0.02 0.00 -0.02 0.00 0.00 35.03 32.75 2wo0 n LYS 144 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wo0 n PRO 145 N 4.55 2.29 -2.98 1.97 -0.02 -1.26 -3.88 135.00 135.66 2wo0 n PRO 145 Ca 0.18 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 62.07 2wo0 n PRO 145 Cb 0.30 -2.63 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 2wo0 n PRO 145 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wo0 s VAL 146 N -1.18 4.92 -1.17 -1.45 1.01 -1.26 -4.96 120.40 116.30 2wo0 s VAL 146 Ca 0.60 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.95 2wo0 s VAL 146 Cb -0.45 -4.05 0.23 0.00 0.00 0.00 0.00 36.38 32.11 2wo0 s VAL 146 CO 0.58 0.02 1.83 0.47 0.00 0.00 0.00 175.10 178.00 2wo0 n ASP 147 N 5.45 6.50 -3.73 3.32 9.92 -1.26 -4.89 116.55 131.86 2wo0 n ASP 147 Ca 0.02 -3.33 -0.14 0.00 -0.53 0.00 0.00 54.79 50.82 2wo0 n ASP 147 Cb 0.49 -1.33 -0.14 0.00 -0.64 0.00 0.00 41.12 39.50 2wo0 n ASP 147 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2wo0 s GLN 148 N -1.85 0.12 0.48 -1.24 -0.21 -1.26 -5.13 119.66 110.57 2wo0 s GLN 148 Ca 0.39 0.45 -0.22 0.00 0.02 0.00 0.00 55.36 55.99 2wo0 s GLN 148 Cb 0.11 -0.17 -0.09 0.00 1.00 0.00 0.00 33.01 33.87 2wo0 s GLN 148 CO -0.00 -0.18 1.00 -0.35 -2.12 0.00 0.00 175.29 173.63 2wo0 n PRO 149 N 4.37 1.24 -1.75 2.91 -0.04 -1.26 -4.90 135.00 135.57 2wo0 n PRO 149 Ca -0.23 0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 63.26 2wo0 n PRO 149 Cb 0.52 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 2wo0 n PRO 149 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wo0 s ARG 150 N -2.25 4.13 0.23 0.54 1.81 -1.26 -4.93 118.95 117.23 2wo0 s ARG 150 Ca 0.67 2.58 0.09 0.00 -1.72 0.00 0.00 55.73 57.35 2wo0 s ARG 150 Cb -0.51 -3.11 -0.05 0.00 -0.45 0.00 0.00 34.95 30.84 2wo0 s ARG 150 CO 0.54 -0.74 -0.15 0.15 -0.68 0.00 0.00 175.30 174.41 2wo0 s LYS 151 N 1.26 1.43 0.01 3.54 1.02 -1.26 -0.74 119.74 124.99 2wo0 s LYS 151 Ca 0.75 -1.65 0.03 0.00 0.02 0.00 0.00 55.97 55.12 2wo0 s LYS 151 Cb -0.49 -1.29 -0.01 0.00 -0.52 0.00 0.00 37.83 35.52 2wo0 s LYS 151 CO 0.32 0.22 -0.09 0.00 -0.92 0.00 0.00 175.35 174.88 2wo0 s ALA 152 N -2.86 0.73 -0.17 5.17 0.00 -0.47 -1.07 121.76 123.10 2wo0 s ALA 152 Ca 0.25 -0.47 -0.24 0.00 0.00 0.00 0.00 51.96 51.50 2wo0 s ALA 152 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2wo0 s ALA 152 CO 0.09 0.15 0.79 -0.51 0.00 0.00 0.00 175.76 176.28 2wo0 s ASP 153 N -0.49 6.91 -0.30 0.00 1.01 0.94 -1.72 116.67 123.02 2wo0 s ASP 153 Ca 0.01 1.11 -0.02 0.00 0.71 0.00 0.00 52.55 54.36 2wo0 s ASP 153 Cb -0.05 -2.43 0.05 0.00 1.01 0.00 0.00 42.92 41.50 2wo0 s ASP 153 CO -0.00 -0.36 0.00 -0.69 0.21 0.00 0.00 175.17 174.33 2wo0 s VAL 154 N 2.04 3.04 -0.19 -1.27 1.01 0.12 -1.24 120.40 123.91 2wo0 s VAL 154 Ca 0.36 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 2wo0 s VAL 154 Cb -0.16 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2wo0 s VAL 154 CO 0.12 -0.09 -0.02 -0.63 0.00 0.00 0.00 175.10 174.48 2wo0 s ILE 155 N 1.27 3.79 0.11 2.22 1.01 -0.03 0.44 121.20 130.00 2wo0 s ILE 155 Ca -0.05 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.32 2wo0 s ILE 155 Cb -0.20 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2wo0 s ILE 155 CO -0.01 0.45 -0.21 -0.04 0.00 0.00 0.00 174.94 175.13 2wo0 s MET 156 N 0.91 1.70 -0.33 2.79 -1.94 0.14 -1.44 119.30 121.14 2wo0 s MET 156 Ca 0.00 -1.21 0.03 0.00 -1.71 0.00 0.00 55.69 52.80 2wo0 s MET 156 Cb -0.14 -2.06 0.10 0.00 2.01 0.00 0.00 34.83 34.73 2wo0 s MET 156 CO 0.02 0.48 0.05 -1.17 -0.01 0.00 0.00 175.02 174.38 2wo0 s LEU 157 N -2.05 4.18 -0.71 -0.03 2.96 -0.05 -1.14 118.68 121.83 2wo0 s LEU 157 Ca 0.17 -1.99 -0.18 0.00 -0.22 0.00 0.00 54.13 51.91 2wo0 s LEU 157 Cb -0.10 -1.48 0.14 0.00 0.50 0.00 0.00 46.19 45.24 2wo0 s LEU 157 CO 0.08 -0.37 0.79 -0.62 -1.32 0.00 0.00 176.35 174.91 2wo0 s ASP 158 N 1.05 6.40 0.00 3.68 2.15 0.54 -0.61 116.67 129.88 2wo0 s ASP 158 Ca 0.09 -1.85 0.00 0.00 0.43 0.00 0.00 52.55 51.22 2wo0 s ASP 158 Cb -0.19 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2wo0 s ASP 158 CO -0.11 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.53 2wo0 n GLY 159 N 5.03 1.13 0.00 2.66 0.00 -1.26 -1.01 105.19 111.73 2wo0 n GLY 159 Ca 0.02 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2wo0 n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wo0 n LYS 160 N 0.00 1.15 -3.79 1.61 2.85 -1.26 -4.97 118.16 113.74 2wo0 n LYS 160 Ca 0.00 -0.87 -0.35 0.00 -1.05 0.00 0.00 58.31 56.04 2wo0 n LYS 160 Cb 0.00 -0.75 -0.08 0.00 -0.65 0.00 0.00 35.03 33.55 2wo0 n LYS 160 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2wo0 s HIS 161 N -0.41 3.43 -0.04 5.58 3.76 -0.18 -4.54 115.29 122.89 2wo0 s HIS 161 Ca 0.00 0.35 -0.17 0.00 -0.15 0.00 0.00 55.06 55.09 2wo0 s HIS 161 Cb 0.00 -2.11 -0.05 0.00 1.11 0.00 0.00 32.58 31.53 2wo0 s HIS 161 CO 0.00 0.37 0.47 0.42 -0.85 0.00 0.00 174.74 175.16 2wo0 s ILE 162 N 0.07 5.04 -0.04 0.60 -1.09 -1.26 -0.34 121.20 124.18 2wo0 s ILE 162 Ca 0.09 0.97 0.01 0.00 -2.23 0.00 0.00 60.65 59.49 2wo0 s ILE 162 Cb -0.11 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 36.99 2wo0 s ILE 162 CO -0.01 0.46 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.51 2wo0 s ILE 163 N -0.33 0.37 -0.23 2.92 1.01 -0.30 -0.14 121.20 124.51 2wo0 s ILE 163 Ca 0.26 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.80 2wo0 s ILE 163 Cb -0.17 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 2wo0 s ILE 163 CO 0.13 0.20 0.14 -1.61 0.00 0.00 0.00 174.94 173.80 2wo0 s GLU 164 N 1.07 4.05 0.22 2.79 2.02 0.20 -0.68 118.70 128.37 2wo0 s GLU 164 Ca -0.09 -0.29 0.11 0.00 0.02 0.00 0.00 54.97 54.72 2wo0 s GLU 164 Cb -0.14 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 2wo0 s GLU 164 CO -0.01 0.09 -0.15 0.00 0.02 0.00 0.00 175.26 175.21 2wo0 s ALA 165 N 0.95 2.82 -0.05 5.21 0.00 0.17 0.43 121.76 131.28 2wo0 s ALA 165 Ca 0.07 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.41 2wo0 s ALA 165 Cb -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2wo0 s ALA 165 CO 0.03 0.37 -0.16 0.08 0.00 0.00 0.00 175.76 176.09 2wo0 s VAL 166 N -2.01 1.36 0.07 0.00 1.01 -0.49 0.16 120.40 120.49 2wo0 s VAL 166 Ca 0.26 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2wo0 s VAL 166 Cb -0.07 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2wo0 s VAL 166 CO 0.14 0.40 -0.22 0.68 0.00 0.00 0.00 175.10 176.10 2wo0 s VAL 167 N 0.20 1.83 -0.44 2.92 -7.23 -0.70 -0.61 120.40 116.37 2wo0 s VAL 167 Ca -0.07 -1.39 -0.15 0.00 -1.81 0.00 0.00 61.98 58.56 2wo0 s VAL 167 Cb -0.13 -1.61 0.05 0.00 0.56 0.00 0.00 36.38 35.26 2wo0 s VAL 167 CO 0.03 0.14 0.34 -0.62 -0.31 0.00 0.00 175.10 174.68 2wo0 s ASP 168 N -1.50 6.10 0.18 4.85 -1.08 0.10 -1.37 116.67 123.95 2wo0 s ASP 168 Ca 0.09 -1.13 0.00 0.00 -0.52 0.00 0.00 52.55 50.99 2wo0 s ASP 168 Cb -0.09 -2.16 0.05 0.00 -1.46 0.00 0.00 42.92 39.26 2wo0 s ASP 168 CO 0.03 -0.55 1.42 -0.07 0.52 0.00 0.00 175.17 176.52 2wo0 h LEU 169 N 8.68 0.38 -0.27 -1.34 3.38 -1.22 0.15 115.31 125.07 2wo0 h LEU 169 Ca -0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 2wo0 h LEU 169 Cb 1.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2wo0 h LEU 169 CO 0.80 1.02 0.15 -0.61 0.09 0.00 0.00 178.44 179.89 2wo0 h GLN 170 N 0.20 0.38 -0.38 1.13 4.15 -1.92 -3.17 115.11 115.50 2wo0 h GLN 170 Ca -0.04 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.34 2wo0 h GLN 170 Cb 1.37 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2wo0 h GLN 170 CO 0.13 0.34 0.00 0.09 -1.93 0.00 0.00 178.83 177.45 2wo0 n ASN 171 N -4.83 3.33 -3.03 -0.69 3.02 -1.21 -4.96 115.26 106.88 2wo0 n ASN 171 Ca -0.02 -1.97 -0.20 0.00 -0.03 0.00 0.00 54.58 52.35 2wo0 n ASN 171 Cb 0.08 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2wo0 n ASN 171 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wo0 n ASN 172 N 1.40 -4.30 -4.40 6.41 5.15 0.46 -4.97 115.26 115.02 2wo0 n ASN 172 Ca 0.19 -0.21 -0.22 0.00 -0.60 0.00 0.00 54.58 53.74 2wo0 n ASN 172 Cb 0.58 -3.55 -0.10 0.00 -0.53 0.00 0.00 39.78 36.18 2wo0 n ASN 172 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2wo0 s LYS 173 N -5.67 1.48 -0.22 1.20 -2.85 -0.79 -4.94 119.74 107.95 2wo0 s LYS 173 Ca 0.27 -1.62 -0.23 0.00 -1.00 0.00 0.00 55.97 53.38 2wo0 s LYS 173 Cb -0.14 -1.50 -0.01 0.00 -2.06 0.00 0.00 37.83 34.12 2wo0 s LYS 173 CO 0.33 0.28 0.75 -1.17 0.10 0.00 0.00 175.35 175.64 2wo0 s LEU 174 N -3.21 4.11 0.04 2.77 2.96 -1.26 0.01 118.68 124.09 2wo0 s LEU 174 Ca 0.24 0.95 0.17 0.00 -0.22 0.00 0.00 54.13 55.27 2wo0 s LEU 174 Cb -0.04 -3.07 -0.15 0.00 0.50 0.00 0.00 46.19 43.43 2wo0 s LEU 174 CO 0.10 -0.41 0.76 0.18 -1.32 0.00 0.00 176.35 175.66 2wo0 n LEU 175 N 5.60 0.76 -3.58 -0.68 4.77 0.22 -4.94 117.00 119.17 2wo0 n LEU 175 Ca 0.03 0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 56.28 2wo0 n LEU 175 Cb 0.48 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2wo0 n LEU 175 CO 0.46 0.16 0.92 -0.94 -1.33 0.00 0.00 177.39 176.66 2wo0 s SER 176 N -5.70 -0.21 -0.39 -1.43 1.04 -1.06 -4.93 113.70 101.03 2wo0 s SER 176 Ca -0.04 0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.47 2wo0 s SER 176 Cb 0.09 0.21 0.16 0.00 0.10 0.00 0.00 66.02 66.57 2wo0 s SER 176 CO 0.82 -0.32 0.35 0.86 0.98 0.00 0.00 173.24 175.93 2wo0 s TRP 177 N -2.34 0.27 -0.33 5.02 -0.11 -1.26 -1.39 118.94 118.80 2wo0 s TRP 177 Ca 0.07 -1.47 -0.10 0.00 1.22 0.00 0.00 56.10 55.81 2wo0 s TRP 177 Cb -0.01 -0.62 -0.00 0.00 -1.50 0.00 0.00 33.47 31.33 2wo0 s TRP 177 CO -0.05 -0.92 0.18 -0.65 -4.62 0.00 0.00 176.95 170.89 2wo0 s GLN 178 N 0.86 3.30 0.49 5.86 -1.52 0.17 -4.93 119.66 123.88 2wo0 s GLN 178 Ca 0.23 -0.75 -0.22 0.00 -1.95 0.00 0.00 55.36 52.67 2wo0 s GLN 178 Cb -0.10 -3.64 -0.07 0.00 -0.22 0.00 0.00 33.01 28.98 2wo0 s GLN 178 CO -0.07 -0.46 1.18 -2.14 -0.25 0.00 0.00 175.29 173.55 2wo0 s PRO 179 N 1.63 3.58 -0.30 2.91 0.02 -1.26 0.58 135.00 142.16 2wo0 s PRO 179 Ca 0.05 1.80 -0.03 0.00 0.02 0.00 0.00 61.00 62.83 2wo0 s PRO 179 Cb -0.17 -2.29 0.04 0.00 0.02 0.00 0.00 34.50 32.09 2wo0 s PRO 179 CO 0.07 -0.71 0.01 0.42 -0.33 0.00 0.00 177.00 176.46 2wo0 s ILE 180 N -1.56 3.21 -0.09 2.83 -1.09 0.80 -4.84 121.20 120.47 2wo0 s ILE 180 Ca 0.67 -1.19 -0.32 0.00 -2.23 0.00 0.00 60.65 57.58 2wo0 s ILE 180 Cb -0.29 -2.77 -0.10 0.00 -1.58 0.00 0.00 42.46 37.72 2wo0 s ILE 180 CO 0.35 -0.03 1.97 1.17 -1.23 0.00 0.00 174.94 177.17 2wo0 n LYS 181 N 4.69 2.27 -0.09 2.79 3.00 -1.26 -3.32 118.16 126.24 2wo0 n LYS 181 Ca -0.14 0.81 0.00 0.00 -0.00 0.00 0.00 58.31 58.98 2wo0 n LYS 181 Cb 0.45 -2.81 0.00 0.00 0.00 0.00 0.00 35.03 32.67 2wo0 n LYS 181 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2wo0 n ASP 182 N 7.73 0.00 -4.76 3.14 8.00 -1.26 -4.99 116.55 124.41 2wo0 n ASP 182 Ca 0.24 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.33 2wo0 n ASP 182 Cb 0.34 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 2wo0 n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wo0 s ALA 183 N -2.76 3.50 -0.01 2.24 0.00 -1.21 -5.02 121.76 118.50 2wo0 s ALA 183 Ca 0.00 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 2wo0 s ALA 183 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2wo0 s ALA 183 CO 0.00 -0.58 0.19 -1.01 0.00 0.00 0.00 175.76 174.36 2wo0 s HIS 184 N -0.93 3.55 0.62 0.00 3.76 -1.26 -4.37 115.29 116.66 2wo0 s HIS 184 Ca 0.50 0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 55.65 2wo0 s HIS 184 Cb -0.39 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 2wo0 s HIS 184 CO 0.49 0.64 1.03 0.20 -0.85 0.00 0.00 174.74 176.26 2wo0 s GLY 185 N -1.96 1.70 1.12 -2.22 0.00 -1.26 -4.57 107.32 100.12 2wo0 s GLY 185 Ca 0.28 -0.04 -0.17 0.00 0.00 0.00 0.00 44.72 44.78 2wo0 s GLY 185 CO 0.19 0.23 1.15 -3.16 0.00 0.00 0.00 173.10 171.51 2wo0 s MET 186 N -5.06 -0.56 0.05 2.90 0.23 -1.26 -4.88 119.30 110.71 2wo0 s MET 186 Ca 0.56 -0.04 -0.27 0.00 -1.03 0.00 0.00 55.69 54.90 2wo0 s MET 186 Cb -0.11 -1.67 -0.05 0.00 -1.53 0.00 0.00 34.83 31.47 2wo0 s MET 186 CO 0.52 -3.28 0.86 0.08 -2.03 0.00 0.00 175.02 171.18 2wo0 s VAL 187 N -3.18 4.71 0.30 5.16 1.01 -0.04 -5.02 120.40 123.34 2wo0 s VAL 187 Ca 0.70 1.83 0.08 0.00 0.00 0.00 0.00 61.98 64.60 2wo0 s VAL 187 Cb -0.10 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2wo0 s VAL 187 CO 0.55 0.30 0.13 -0.76 0.00 0.00 0.00 175.10 175.33 2wo0 s LEU 188 N 0.23 3.40 0.19 3.92 1.43 -1.26 -4.64 118.68 121.95 2wo0 s LEU 188 Ca 0.44 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.74 2wo0 s LEU 188 Cb -0.21 -1.93 0.13 0.00 0.03 0.00 0.00 46.19 44.21 2wo0 s LEU 188 CO 0.26 -0.16 1.59 0.25 0.23 0.00 0.00 176.35 178.51 2wo0 h LEU 189 N 1.59 -1.11 -0.56 1.79 5.85 -1.97 0.19 115.31 121.09 2wo0 h LEU 189 Ca -0.45 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2wo0 h LEU 189 Cb 1.25 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.83 2wo0 h LEU 189 CO 0.61 -0.30 0.00 -0.90 -0.34 0.00 0.00 178.44 177.51 2wo0 n ASP 190 N -5.43 0.34 -0.03 1.25 5.75 -1.26 -1.12 116.55 116.05 2wo0 n ASP 190 Ca 0.04 0.61 -0.05 0.00 -0.01 0.00 0.00 54.79 55.39 2wo0 n ASP 190 Cb 0.35 -0.67 0.17 0.00 -1.03 0.00 0.00 41.12 39.93 2wo0 n ASP 190 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2wo0 h ASP 191 N 0.00 0.60 -0.98 -1.12 3.32 -1.02 -2.59 116.42 114.63 2wo0 h ASP 191 Ca 0.00 -0.20 0.16 0.00 0.02 0.00 0.00 57.03 57.01 2wo0 h ASP 191 Cb 0.17 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 2wo0 h ASP 191 CO 0.00 0.81 0.61 -0.26 -1.72 0.00 0.00 179.24 178.69 2wo0 h PHE 192 N 0.53 1.02 0.17 4.55 -1.00 -1.21 -1.24 116.94 119.76 2wo0 h PHE 192 Ca 0.08 0.03 -0.28 0.00 2.81 0.00 0.00 57.97 60.61 2wo0 h PHE 192 Cb 0.66 -0.32 0.01 0.00 3.61 0.00 0.00 35.95 39.92 2wo0 h PHE 192 CO 0.03 0.31 -1.32 0.00 -1.61 0.00 0.00 178.31 175.71 2wo0 h ALA 193 N 1.60 0.03 -0.14 2.45 0.00 -1.64 -2.64 119.26 118.92 2wo0 h ALA 193 Ca 0.53 -0.94 0.02 0.00 0.00 0.00 0.00 54.91 54.51 2wo0 h ALA 193 Cb 0.77 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2wo0 h ALA 193 CO -0.30 0.71 -0.21 0.77 0.00 0.00 0.00 179.25 180.22 2wo0 h SER 194 N -0.16 -0.68 -0.87 0.00 0.02 -1.29 0.82 113.55 111.39 2wo0 h SER 194 Ca -0.26 0.09 0.14 0.00 -0.84 0.00 0.00 61.79 60.92 2wo0 h SER 194 Cb 1.87 0.28 -0.14 0.00 0.14 0.00 0.00 62.40 64.55 2wo0 h SER 194 CO 0.15 -0.15 -0.32 0.52 -1.14 0.00 0.00 176.83 175.89 2wo0 n VAL 195 N -3.68 -0.44 -0.10 2.27 0.31 -0.48 0.37 118.33 116.57 2wo0 n VAL 195 Ca -0.01 2.04 -0.09 0.00 -0.01 0.00 0.00 64.34 66.26 2wo0 n VAL 195 Cb 0.13 -2.71 -0.02 0.00 -0.91 0.00 0.00 33.84 30.33 2wo0 n VAL 195 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2wo0 h GLN 196 N 0.00 0.45 0.65 5.55 5.75 -0.69 -0.05 115.11 126.76 2wo0 h GLN 196 Ca 0.32 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.73 2wo0 h GLN 196 Cb 0.54 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.01 2wo0 h GLN 196 CO -0.87 0.40 -0.31 -0.91 -2.65 0.00 0.00 178.83 174.48 2wo0 h ASN 197 N 0.39 -0.74 -0.90 -0.69 -0.26 0.44 -0.34 115.58 113.48 2wo0 h ASN 197 Ca 0.11 -0.01 0.25 0.00 -0.56 0.00 0.00 56.30 56.09 2wo0 h ASN 197 Cb 0.08 0.19 -0.15 0.00 -1.06 0.00 0.00 38.32 37.38 2wo0 h ASN 197 CO -0.02 -0.43 0.17 0.40 -1.06 0.00 0.00 177.43 176.50 2wo0 h ILE 198 N -1.03 0.21 0.24 2.81 2.04 -0.06 0.19 117.51 121.91 2wo0 h ILE 198 Ca -0.09 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2wo0 h ILE 198 Cb 0.71 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2wo0 h ILE 198 CO 0.15 0.02 -0.11 0.40 0.00 0.00 0.00 178.15 178.61 2wo0 h ILE 199 N 0.13 0.83 -1.34 -0.67 5.03 -0.71 -2.74 117.51 118.03 2wo0 h ILE 199 Ca 0.57 -0.56 0.39 0.00 -0.12 0.00 0.00 64.86 65.14 2wo0 h ILE 199 Cb 1.18 1.15 -0.06 0.00 -3.03 0.00 0.00 36.82 36.06 2wo0 h ILE 199 CO -0.74 0.12 0.96 0.78 -0.68 0.00 0.00 178.15 178.59 2wo0 h ASN 200 N -0.61 0.03 -0.73 1.72 2.35 0.83 -0.27 115.58 118.89 2wo0 h ASN 200 Ca -0.03 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2wo0 h ASN 200 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2wo0 h ASN 200 CO 0.05 -0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.42 2wo0 n ASN 201 N -4.16 3.95 -4.36 5.81 3.02 0.44 -4.85 115.26 115.10 2wo0 n ASN 201 Ca 0.30 -2.01 -0.45 0.00 -0.03 0.00 0.00 54.58 52.39 2wo0 n ASN 201 Cb 1.39 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 40.00 2wo0 n ASN 201 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2wo0 s SER 202 N -1.00 6.14 0.17 6.41 0.15 -0.11 -4.92 113.70 120.54 2wo0 s SER 202 Ca 0.49 -1.46 -0.27 0.00 0.70 0.00 0.00 55.95 55.42 2wo0 s SER 202 Cb 0.26 -2.18 0.02 0.00 -1.71 0.00 0.00 66.02 62.41 2wo0 s SER 202 CO 0.33 -0.70 1.56 1.05 1.20 0.00 0.00 173.24 176.68 2wo0 h GLU 203 N 8.78 -0.17 -0.65 5.44 9.09 -1.88 0.22 114.58 135.40 2wo0 h GLU 203 Ca -0.29 0.01 0.14 0.00 0.05 0.00 0.00 59.36 59.27 2wo0 h GLU 203 Cb 1.11 0.04 -0.11 0.00 -1.65 0.00 0.00 28.75 28.13 2wo0 h GLU 203 CO 0.92 -0.12 -0.03 1.49 0.05 0.00 0.00 179.01 181.32 2wo0 h GLU 204 N -0.18 0.09 -0.16 1.06 4.81 -1.96 0.10 114.58 118.34 2wo0 h GLU 204 Ca 0.18 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2wo0 h GLU 204 Cb 0.54 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2wo0 h GLU 204 CO -0.76 0.06 -0.14 0.35 -0.73 0.00 0.00 179.01 177.79 2wo0 h PHE 205 N 0.09 0.45 -0.91 0.92 3.04 -1.63 0.76 116.94 119.66 2wo0 h PHE 205 Ca 0.34 -0.13 0.20 0.00 3.98 0.00 0.00 57.97 62.36 2wo0 h PHE 205 Cb 0.55 -0.10 -0.07 0.00 2.56 0.00 0.00 35.95 38.89 2wo0 h PHE 205 CO -0.40 0.74 0.60 0.00 -2.02 0.00 0.00 178.31 177.23 2wo0 h ALA 206 N 0.63 2.16 -0.02 2.41 0.00 0.48 0.49 119.26 125.42 2wo0 h ALA 206 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2wo0 h ALA 206 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wo0 h ALA 206 CO 0.04 -0.45 -0.09 0.00 0.00 0.00 0.00 179.25 178.74 2wo0 h ALA 207 N 1.61 0.03 -0.95 0.00 0.00 -0.35 -2.00 119.26 117.61 2wo0 h ALA 207 Ca 0.48 -0.37 0.15 0.00 0.00 0.00 0.00 54.91 55.16 2wo0 h ALA 207 Cb 1.14 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2wo0 h ALA 207 CO -0.19 -0.06 0.56 0.00 0.00 0.00 0.00 179.25 179.56 2wo0 h ALA 208 N 0.34 1.47 -0.18 0.00 0.00 -0.02 -2.65 119.26 118.22 2wo0 h ALA 208 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2wo0 h ALA 208 Cb 0.77 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2wo0 h ALA 208 CO 0.02 0.05 -0.12 0.28 0.00 0.00 0.00 179.25 179.48 2wo0 h VAL 209 N 0.81 1.32 -1.00 0.00 2.07 -0.89 -3.03 116.25 115.53 2wo0 h VAL 209 Ca 0.51 -1.21 0.13 0.00 0.82 0.00 0.00 66.70 66.95 2wo0 h VAL 209 Cb 0.65 1.73 -0.09 0.00 -1.52 0.00 0.00 31.29 32.06 2wo0 h VAL 209 CO -0.33 0.36 0.62 0.50 0.02 0.00 0.00 177.57 178.75 2wo0 h LYS 210 N 0.06 0.92 -0.54 1.57 3.64 -1.09 0.12 116.57 121.25 2wo0 h LYS 210 Ca 0.04 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2wo0 h LYS 210 Cb 0.62 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.16 2wo0 h LYS 210 CO 0.03 0.61 -0.42 0.87 -2.27 0.00 0.00 179.45 178.27 2wo0 h LYS 211 N 0.95 -0.12 -0.32 1.90 6.56 -1.35 -1.52 116.57 122.67 2wo0 h LYS 211 Ca 0.51 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.10 2wo0 h LYS 211 Cb 0.55 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 2wo0 h LYS 211 CO -0.28 -0.08 0.00 0.54 -2.06 0.00 0.00 179.45 177.56 2wo0 n ARG 212 N -4.63 0.36 -0.69 3.15 1.74 0.41 -4.69 116.66 112.32 2wo0 n ARG 212 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wo0 n ARG 212 Cb 0.21 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2wo0 n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wo0 n GLY 213 N 0.26 0.65 3.62 -0.13 0.00 -0.57 -4.56 105.19 104.46 2wo0 n GLY 213 Ca 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2wo0 n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wo0 s ILE 214 N -2.00 5.02 0.03 -0.61 1.09 -1.23 -4.98 121.20 118.53 2wo0 s ILE 214 Ca 0.00 0.95 -0.13 0.00 -1.10 0.00 0.00 60.65 60.38 2wo0 s ILE 214 Cb 0.00 -3.89 -0.34 0.00 -1.06 0.00 0.00 42.46 37.17 2wo0 s ILE 214 CO 0.00 0.03 0.99 0.71 -0.10 0.00 0.00 174.94 176.57 2wo0 h THR 215 N 5.43 1.28 -3.75 2.92 1.35 -1.91 -3.37 112.91 114.86 2wo0 h THR 215 Ca -0.28 -2.75 -0.68 0.00 -0.55 0.00 0.00 66.41 62.15 2wo0 h THR 215 Cb 1.13 2.99 -0.33 0.00 -1.73 0.00 0.00 68.15 70.21 2wo0 h THR 215 CO 0.75 0.83 -0.72 -0.62 -0.25 0.00 0.00 175.52 175.51 2wo0 s ASP 216 N -7.46 4.76 0.00 5.36 -1.08 -1.26 -4.99 116.67 112.00 2wo0 s ASP 216 Ca -0.09 -1.23 0.21 0.00 -0.52 0.00 0.00 52.55 50.92 2wo0 s ASP 216 Cb 0.05 -1.69 1.05 0.00 -1.46 0.00 0.00 42.92 40.87 2wo0 s ASP 216 CO 0.93 -0.23 1.66 0.00 0.52 0.00 0.00 175.17 178.04 2wo0 n ALA 217 N 4.61 2.09 1.47 3.66 0.00 -1.26 -2.55 120.51 128.52 2wo0 n ALA 217 Ca -0.14 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.34 2wo0 n ALA 217 Cb 0.44 -1.34 0.55 0.00 0.00 0.00 0.00 19.45 19.10 2wo0 n ALA 217 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wo0 n LYS 218 N -1.29 1.17 -0.68 0.00 5.02 -1.26 -3.36 118.16 117.75 2wo0 n LYS 218 Ca 0.10 -0.58 0.09 0.00 -2.02 0.00 0.00 58.31 55.90 2wo0 n LYS 218 Cb 0.17 -1.49 0.37 0.00 -0.02 0.00 0.00 35.03 34.06 2wo0 n LYS 218 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wo0 n LYS 219 N -0.41 3.99 -3.78 1.97 5.02 -1.06 -4.92 118.16 118.97 2wo0 n LYS 219 Ca 0.17 -2.95 -0.36 0.00 -2.02 0.00 0.00 58.31 53.15 2wo0 n LYS 219 Cb 0.31 -1.98 -0.10 0.00 -0.02 0.00 0.00 35.03 33.24 2wo0 n LYS 219 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wo0 s VAL 220 N -2.03 5.02 -0.19 -0.18 1.01 -1.21 0.41 120.40 123.23 2wo0 s VAL 220 Ca 0.52 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 2wo0 s VAL 220 Cb 0.35 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2wo0 s VAL 220 CO 0.23 0.37 0.04 -0.63 0.00 0.00 0.00 175.10 175.12 2wo0 s ILE 221 N 0.97 4.47 0.33 2.22 -1.09 0.23 -4.93 121.20 123.40 2wo0 s ILE 221 Ca 0.06 -0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.30 2wo0 s ILE 221 Cb -0.14 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.69 2wo0 s ILE 221 CO 0.03 0.45 0.58 0.42 -1.23 0.00 0.00 174.94 175.20 2wo0 s THR 222 N 0.58 5.03 -0.04 2.92 -4.23 -1.26 -1.32 115.64 117.33 2wo0 s THR 222 Ca 0.02 -0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 2wo0 s THR 222 Cb -0.13 -3.79 0.03 0.00 1.34 0.00 0.00 72.50 69.95 2wo0 s THR 222 CO 0.02 -0.47 0.06 0.28 -0.54 0.00 0.00 174.62 173.97 2wo0 s THR 223 N -2.25 -0.09 -0.10 3.99 -1.32 -0.48 -4.97 115.64 110.43 2wo0 s THR 223 Ca 0.43 0.29 -0.20 0.00 -1.21 0.00 0.00 61.69 61.00 2wo0 s THR 223 Cb -0.10 -0.14 -0.04 0.00 -1.51 0.00 0.00 72.50 70.71 2wo0 s THR 223 CO 0.34 0.12 0.57 -2.16 -2.21 0.00 0.00 174.62 171.28 2wo0 s PRO 224 N 1.52 4.38 -0.00 7.08 0.04 -1.26 -1.68 135.00 145.07 2wo0 s PRO 224 Ca -0.04 0.62 0.05 0.00 0.04 0.00 0.00 61.00 61.68 2wo0 s PRO 224 Cb -0.12 -3.44 -0.01 0.00 0.04 0.00 0.00 34.50 30.96 2wo0 s PRO 224 CO -0.04 0.11 -0.16 -0.51 0.04 0.00 0.00 177.00 176.44 2wo0 s LEU 225 N 0.73 2.05 0.60 -3.56 1.43 0.82 -4.95 118.68 115.81 2wo0 s LEU 225 Ca 0.31 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.91 2wo0 s LEU 225 Cb -0.16 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 2wo0 s LEU 225 CO 0.13 0.18 1.11 0.42 0.23 0.00 0.00 176.35 178.43 2wo0 s THR 226 N -0.46 3.25 -1.60 5.49 -4.23 -1.26 -0.24 115.64 116.59 2wo0 s THR 226 Ca 0.06 0.67 0.21 0.00 -1.18 0.00 0.00 61.69 61.45 2wo0 s THR 226 Cb -0.07 -3.21 -0.08 0.00 1.34 0.00 0.00 72.50 70.49 2wo0 s THR 226 CO -0.00 -0.27 0.98 1.33 -0.54 0.00 0.00 174.62 176.11 2wo0 n VAL 227 N -1.86 0.00 -4.21 2.29 0.24 -1.26 -4.75 118.33 108.77 2wo0 n VAL 227 Ca 0.11 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2wo0 n VAL 227 Cb 0.52 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 2wo0 n VAL 227 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wo0 n GLY 228 N 1.41 -0.39 3.09 7.63 0.00 -1.26 -4.85 105.19 110.82 2wo0 n GLY 228 Ca 0.07 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 2wo0 n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wo0 s TYR 229 N 0.00 -0.34 -0.03 1.61 5.04 -1.26 -4.23 117.35 118.14 2wo0 s TYR 229 Ca 0.00 0.81 0.22 0.00 -2.44 0.00 0.00 57.07 55.66 2wo0 s TYR 229 Cb 0.00 0.08 0.40 0.00 0.35 0.00 0.00 41.96 42.79 2wo0 s TYR 229 CO 0.00 -0.22 1.17 1.19 -1.34 0.00 0.00 175.55 176.34 2wo0 n PHE 230 N 3.96 0.00 -3.35 4.97 3.01 -1.26 -4.74 117.46 120.04 2wo0 n PHE 230 Ca -0.22 -0.60 -0.24 0.00 1.01 0.00 0.00 57.45 57.39 2wo0 n PHE 230 Cb 0.54 -0.16 0.02 0.00 -0.01 0.00 0.00 39.48 39.88 2wo0 n PHE 230 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2wo0 n ASP 231 N 0.24 -4.88 0.00 4.37 2.03 -1.26 -1.03 116.55 116.02 2wo0 n ASP 231 Ca 0.07 -0.43 0.00 0.00 0.52 0.00 0.00 54.79 54.96 2wo0 n ASP 231 Cb 1.06 -3.96 0.00 0.00 -0.72 0.00 0.00 41.12 37.50 2wo0 n ASP 231 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wo0 n GLY 232 N -1.43 3.10 0.30 0.27 0.00 -1.26 -4.92 105.19 101.26 2wo0 n GLY 232 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.13 2wo0 n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wo0 h LYS 233 N 1.32 0.00 -0.00 1.61 1.79 -1.47 0.65 116.57 120.46 2wo0 h LYS 233 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2wo0 h LYS 233 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2wo0 h LYS 233 CO 0.00 0.00 -0.55 -0.40 -1.08 0.00 0.00 179.45 177.42 2wo0 n ASP 234 N -2.75 0.83 -0.09 0.86 5.75 -1.26 -4.93 116.55 114.95 2wo0 n ASP 234 Ca -0.02 -0.63 -0.01 0.00 -0.01 0.00 0.00 54.79 54.12 2wo0 n ASP 234 Cb 0.33 0.40 -0.00 0.00 -1.03 0.00 0.00 41.12 40.81 2wo0 n ASP 234 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wo0 n GLY 235 N 1.46 0.44 3.44 6.12 0.00 0.23 -5.02 105.19 111.86 2wo0 n GLY 235 Ca 0.07 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 2wo0 n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wo0 s LEU 236 N -0.27 3.23 0.41 0.99 1.43 -1.26 -5.08 118.68 118.13 2wo0 s LEU 236 Ca 0.00 -0.21 -0.26 0.00 -1.03 0.00 0.00 54.13 52.62 2wo0 s LEU 236 Cb 0.00 -1.82 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 2wo0 s LEU 236 CO 0.00 0.06 1.32 -0.75 0.23 0.00 0.00 176.35 177.20 2wo0 s LYS 237 N 1.04 3.96 0.15 1.70 2.20 -1.26 -4.70 119.74 122.83 2wo0 s LYS 237 Ca 0.02 2.19 -0.03 0.00 -0.36 0.00 0.00 55.97 57.79 2wo0 s LYS 237 Cb -0.14 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 2wo0 s LYS 237 CO 0.02 -0.51 1.36 0.37 -0.36 0.00 0.00 175.35 176.23 2wo0 h GLN 238 N 2.68 0.39 -0.09 4.03 5.75 -2.01 -3.27 115.11 122.58 2wo0 h GLN 238 Ca -0.50 -0.37 0.00 0.00 -0.15 0.00 0.00 58.65 57.63 2wo0 h GLN 238 Cb 1.25 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.89 2wo0 h GLN 238 CO 0.63 1.04 0.00 -0.40 -2.65 0.00 0.00 178.83 177.44 2wo0 n ASP 239 N -3.77 1.36 -4.84 -0.69 5.75 -1.26 -4.88 116.55 108.22 2wo0 n ASP 239 Ca -0.05 -1.57 -0.38 0.00 -0.01 0.00 0.00 54.79 52.78 2wo0 n ASP 239 Cb 0.78 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.76 2wo0 n ASP 239 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wo0 s ALA 240 N -1.89 3.70 -0.33 2.12 0.00 -1.24 -5.04 121.76 119.08 2wo0 s ALA 240 Ca 0.35 -0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.80 2wo0 s ALA 240 Cb 0.18 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.95 2wo0 s ALA 240 CO 0.29 0.49 0.94 0.50 0.00 0.00 0.00 175.76 177.99 2wo0 s ARG 241 N -1.20 3.96 0.12 0.00 3.52 -1.26 -4.99 118.95 119.09 2wo0 s ARG 241 Ca 0.25 0.77 0.04 0.00 -0.13 0.00 0.00 55.73 56.66 2wo0 s ARG 241 Cb -0.16 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.43 2wo0 s ARG 241 CO 0.14 -0.86 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.15 2wo0 s LEU 242 N 3.40 2.44 -0.03 -0.88 1.43 -1.26 -1.26 118.68 122.51 2wo0 s LEU 242 Ca 0.39 -0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 52.48 2wo0 s LEU 242 Cb -0.13 -0.38 0.03 0.00 0.03 0.00 0.00 46.19 45.74 2wo0 s LEU 242 CO 0.16 -0.25 0.32 -0.76 0.23 0.00 0.00 176.35 176.04 2wo0 s LEU 243 N -2.66 0.81 0.01 1.79 1.43 -0.94 -4.66 118.68 114.46 2wo0 s LEU 243 Ca 0.10 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2wo0 s LEU 243 Cb -0.02 1.26 -0.04 0.00 0.03 0.00 0.00 46.19 47.43 2wo0 s LEU 243 CO 0.01 -0.39 0.09 -0.54 0.23 0.00 0.00 176.35 175.75 2wo0 s LYS 244 N -1.07 3.08 -0.18 1.70 1.02 0.67 -0.99 119.74 123.96 2wo0 s LYS 244 Ca -0.11 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.38 2wo0 s LYS 244 Cb -0.05 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 2wo0 s LYS 244 CO 0.04 0.64 -0.14 0.08 -0.92 0.00 0.00 175.35 175.05 2wo0 s VAL 245 N -1.23 2.66 0.10 3.17 1.01 0.16 -0.13 120.40 126.15 2wo0 s VAL 245 Ca 0.24 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 2wo0 s VAL 245 Cb -0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2wo0 s VAL 245 CO 0.15 0.50 0.27 -0.63 0.00 0.00 0.00 175.10 175.40 2wo0 s ILE 246 N 1.13 5.31 0.14 2.22 -1.09 -0.68 -2.81 121.20 125.42 2wo0 s ILE 246 Ca 0.01 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.22 2wo0 s ILE 246 Cb -0.14 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2wo0 s ILE 246 CO -0.05 0.08 -0.16 -0.44 -1.23 0.00 0.00 174.94 173.14 2wo0 s SER 247 N -2.57 2.35 0.09 3.58 0.01 -1.26 -1.38 113.70 114.52 2wo0 s SER 247 Ca 0.37 -0.84 -0.03 0.00 1.31 0.00 0.00 55.95 56.77 2wo0 s SER 247 Cb -0.13 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 2wo0 s SER 247 CO 0.27 -0.09 0.05 -0.31 0.41 0.00 0.00 173.24 173.57 2wo0 s TYR 248 N -2.10 0.56 -0.31 2.43 1.51 -0.43 -2.07 117.35 116.95 2wo0 s TYR 248 Ca 0.12 -1.03 -0.10 0.00 -1.01 0.00 0.00 57.07 55.05 2wo0 s TYR 248 Cb -0.05 -0.35 -0.01 0.00 -0.11 0.00 0.00 41.96 41.44 2wo0 s TYR 248 CO 0.05 -0.47 0.15 -1.17 -1.11 0.00 0.00 175.55 173.00 2wo0 s LEU 249 N -2.95 4.08 -0.19 -1.29 2.96 0.76 0.75 118.68 122.80 2wo0 s LEU 249 Ca 0.12 -0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 53.28 2wo0 s LEU 249 Cb 0.07 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2wo0 s LEU 249 CO -0.06 -0.17 1.52 -0.62 -1.32 0.00 0.00 176.35 175.70 2wo0 s ASP 250 N 1.63 6.58 -0.08 3.68 2.15 0.16 -4.67 116.67 126.12 2wo0 s ASP 250 Ca 0.05 1.71 0.12 0.00 0.43 0.00 0.00 52.55 54.86 2wo0 s ASP 250 Cb -0.17 -2.53 0.31 0.00 -0.30 0.00 0.00 42.92 40.22 2wo0 s ASP 250 CO 0.07 -1.08 1.23 1.33 -0.17 0.00 0.00 175.17 176.55 2wo0 n VAL 251 N 6.00 1.58 -0.74 1.11 0.24 -1.26 -4.90 118.33 120.37 2wo0 n VAL 251 Ca 0.17 -1.54 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 2wo0 n VAL 251 Cb 0.45 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 2wo0 n VAL 251 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wo0 n GLY 252 N -0.44 0.65 0.59 7.63 0.00 -1.26 -4.91 105.19 107.45 2wo0 n GLY 252 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2wo0 n GLY 252 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wo0 n ASP 253 N 0.00 1.94 0.00 1.61 5.68 -1.26 -4.91 116.55 119.61 2wo0 n ASP 253 Ca 0.00 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 2wo0 n ASP 253 Cb 0.00 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2wo0 n ASP 253 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wo0 n GLY 254 N 1.29 0.51 2.20 6.12 0.00 -1.26 -4.15 105.19 109.89 2wo0 n GLY 254 Ca 0.15 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2wo0 n GLY 254 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wo0 n ASN 255 N 0.25 0.20 0.32 1.61 5.15 -1.26 -4.91 115.26 116.61 2wo0 n ASN 255 Ca 0.00 -2.73 0.19 0.00 -0.60 0.00 0.00 54.58 51.44 2wo0 n ASN 255 Cb 0.00 -0.61 1.07 0.00 -0.53 0.00 0.00 39.78 39.71 2wo0 n ASN 255 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2wo0 h TYR 256 N 3.90 0.00 0.00 1.20 -0.00 -1.93 0.20 116.97 120.35 2wo0 h TYR 256 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.80 2wo0 h TYR 256 Cb 0.89 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.62 2wo0 h TYR 256 CO 0.37 0.00 -0.01 -1.49 -0.00 0.00 0.00 178.16 177.04 2wo0 h TRP 257 N 0.00 0.00 -0.07 0.10 4.06 -1.91 -0.08 115.95 118.04 2wo0 h TRP 257 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wo0 h TRP 257 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 2wo0 h TRP 257 CO 0.00 0.01 0.00 0.00 -3.56 0.00 0.00 178.44 174.89 2wo0 n ALA 258 N -2.18 2.58 -3.25 1.49 0.00 0.06 -4.34 120.51 114.87 2wo0 n ALA 258 Ca -0.03 -0.35 -0.25 0.00 0.00 0.00 0.00 53.44 52.82 2wo0 n ALA 258 Cb 0.10 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.26 2wo0 n ALA 258 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wo0 n HIS 259 N -0.20 0.87 -2.42 0.00 8.25 -0.04 -4.74 115.22 116.93 2wo0 n HIS 259 Ca 0.17 -3.75 -0.34 0.00 -0.26 0.00 0.00 57.72 53.55 2wo0 n HIS 259 Cb 0.23 -0.41 -0.02 0.00 1.12 0.00 0.00 29.99 30.90 2wo0 n HIS 259 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wo0 s PRO 260 N -1.66 3.69 -0.63 -0.41 0.04 -1.26 -0.17 135.00 134.59 2wo0 s PRO 260 Ca 0.37 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.64 2wo0 s PRO 260 Cb 0.18 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.80 2wo0 s PRO 260 CO -0.08 -0.52 0.51 0.42 0.04 0.00 0.00 177.00 177.37 2wo0 s ILE 261 N -2.11 4.55 0.42 0.56 1.01 -0.88 -4.33 121.20 120.42 2wo0 s ILE 261 Ca 0.66 -2.35 -0.24 0.00 0.00 0.00 0.00 60.65 58.72 2wo0 s ILE 261 Cb -0.16 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 2wo0 s ILE 261 CO 0.24 -0.89 1.12 -0.70 0.00 0.00 0.00 174.94 174.71 2wo0 s GLU 262 N 0.56 3.99 -0.41 2.79 2.56 -1.26 -3.45 118.70 123.48 2wo0 s GLU 262 Ca 0.13 1.69 0.00 0.00 0.00 0.00 0.00 54.97 56.79 2wo0 s GLU 262 Cb -0.20 -2.53 0.00 0.00 2.00 0.00 0.00 34.13 33.40 2wo0 s GLU 262 CO -0.04 -0.33 0.00 0.09 -0.56 0.00 0.00 175.26 174.42 2wo0 n ASN 263 N -0.17 -4.13 -4.22 -1.70 3.02 -1.26 -4.56 115.26 102.24 2wo0 n ASN 263 Ca 0.06 0.10 -0.36 0.00 -0.03 0.00 0.00 54.58 54.34 2wo0 n ASN 263 Cb 0.48 -1.98 -0.13 0.00 -0.61 0.00 0.00 39.78 37.54 2wo0 n ASN 263 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wo0 s LEU 264 N -0.89 3.97 -0.07 3.41 2.96 -1.22 -1.10 118.68 125.73 2wo0 s LEU 264 Ca 0.00 -1.16 0.05 0.00 -0.22 0.00 0.00 54.13 52.79 2wo0 s LEU 264 Cb 0.00 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 2wo0 s LEU 264 CO 0.00 -0.27 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.86 2wo0 s VAL 265 N 1.32 1.85 -0.01 1.68 1.01 -0.74 -4.44 120.40 121.07 2wo0 s VAL 265 Ca -0.03 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2wo0 s VAL 265 Cb -0.19 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2wo0 s VAL 265 CO 0.00 0.52 -0.09 0.00 0.00 0.00 0.00 175.10 175.53 2wo0 s ALA 266 N 0.16 2.91 -0.18 5.51 0.00 -1.12 -0.85 121.76 128.20 2wo0 s ALA 266 Ca -0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 2wo0 s ALA 266 Cb -0.15 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 2wo0 s ALA 266 CO 0.06 0.59 -0.02 0.08 0.00 0.00 0.00 175.76 176.47 2wo0 s VAL 267 N -0.92 3.85 -0.13 0.00 1.01 0.29 -0.66 120.40 123.83 2wo0 s VAL 267 Ca 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2wo0 s VAL 267 Cb -0.11 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 2wo0 s VAL 267 CO 0.05 0.46 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 2wo0 s VAL 268 N 0.76 3.43 -0.29 2.92 1.01 -0.17 0.32 120.40 128.37 2wo0 s VAL 268 Ca -0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 2wo0 s VAL 268 Cb -0.14 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2wo0 s VAL 268 CO 0.02 0.52 0.34 -0.62 0.00 0.00 0.00 175.10 175.36 2wo0 s ASP 269 N 0.21 6.19 0.45 3.32 -1.08 -0.43 -2.20 116.67 123.13 2wo0 s ASP 269 Ca -0.06 0.07 0.24 0.00 -0.52 0.00 0.00 52.55 52.29 2wo0 s ASP 269 Cb -0.15 -2.19 0.49 0.00 -1.46 0.00 0.00 42.92 39.61 2wo0 s ASP 269 CO 0.04 -0.21 1.66 -0.07 0.52 0.00 0.00 175.17 177.11 2wo0 h LEU 270 N 8.62 0.00 0.17 -1.34 3.38 -1.49 -0.62 115.31 124.03 2wo0 h LEU 270 Ca -0.32 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.33 2wo0 h LEU 270 Cb 1.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.92 2wo0 h LEU 270 CO 0.64 0.01 -1.55 -0.33 0.09 0.00 0.00 178.44 177.30 2wo0 h GLU 271 N 0.00 0.35 0.00 1.13 4.39 -1.94 -3.26 114.58 115.25 2wo0 h GLU 271 Ca -0.00 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 59.09 2wo0 h GLU 271 Cb 0.93 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2wo0 h GLU 271 CO 0.00 1.25 0.00 1.96 -1.16 0.00 0.00 179.01 181.06 2wo0 h GLN 272 N 0.10 0.00 -6.09 2.33 4.20 -1.93 -3.48 115.11 110.24 2wo0 h GLN 272 Ca -0.26 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.12 2wo0 h GLN 272 Cb 2.07 0.00 0.05 0.00 0.30 0.00 0.00 27.48 29.90 2wo0 h GLN 272 CO 0.20 0.00 -0.73 1.63 -0.67 0.00 0.00 178.83 179.26 2wo0 n LYS 273 N -2.69 -1.36 -3.57 1.46 5.02 -0.28 -5.03 118.16 111.71 2wo0 n LYS 273 Ca 0.04 0.81 -0.07 0.00 -2.02 0.00 0.00 58.31 57.07 2wo0 n LYS 273 Cb 0.43 -4.20 -0.02 0.00 -0.02 0.00 0.00 35.03 31.23 2wo0 n LYS 273 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wo0 s LYS 274 N -4.90 0.95 0.12 1.97 -2.85 -0.96 -5.00 119.74 109.07 2wo0 s LYS 274 Ca 0.24 -0.41 -0.31 0.00 -1.00 0.00 0.00 55.97 54.49 2wo0 s LYS 274 Cb -0.08 0.40 -0.09 0.00 -2.06 0.00 0.00 37.83 36.00 2wo0 s LYS 274 CO 0.84 -0.42 1.56 0.42 0.10 0.00 0.00 175.35 177.84 2wo0 s ILE 275 N -3.21 2.93 -0.38 3.79 1.01 -1.26 -1.31 121.20 122.77 2wo0 s ILE 275 Ca 0.07 0.58 0.06 0.00 0.00 0.00 0.00 60.65 61.36 2wo0 s ILE 275 Cb -0.01 -3.37 0.17 0.00 0.01 0.00 0.00 42.46 39.26 2wo0 s ILE 275 CO -0.06 0.03 1.13 1.33 0.00 0.00 0.00 174.94 177.37 2wo0 n VAL 276 N 4.25 1.13 0.00 2.92 0.24 0.15 -4.92 118.33 122.10 2wo0 n VAL 276 Ca 0.14 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 2wo0 n VAL 276 Cb 0.40 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 2wo0 n VAL 276 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2wo0 n LYS 277 N -0.17 0.00 -4.66 7.34 4.81 -1.23 -4.96 118.16 119.29 2wo0 n LYS 277 Ca 0.07 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.18 2wo0 n LYS 277 Cb 0.38 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.27 2wo0 n LYS 277 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wo0 s ILE 278 N -0.19 2.30 -0.12 3.15 1.01 -1.26 -0.55 121.20 125.55 2wo0 s ILE 278 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 2wo0 s ILE 278 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 2wo0 s ILE 278 CO 0.00 0.54 0.05 -1.61 0.00 0.00 0.00 174.94 173.92 2wo0 s GLU 279 N 0.77 3.34 -0.02 2.79 2.02 -0.03 -5.02 118.70 122.56 2wo0 s GLU 279 Ca -0.07 -0.32 0.01 0.00 0.02 0.00 0.00 54.97 54.60 2wo0 s GLU 279 Cb -0.16 -2.99 0.02 0.00 0.10 0.00 0.00 34.13 31.10 2wo0 s GLU 279 CO -0.00 0.62 -0.01 -1.21 0.02 0.00 0.00 175.26 174.68 2wo0 s GLU 280 N -0.62 0.24 0.06 1.61 2.02 -1.26 -1.79 118.70 118.96 2wo0 s GLU 280 Ca 0.11 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.13 2wo0 s GLU 280 Cb -0.12 -0.36 -0.00 0.00 0.10 0.00 0.00 34.13 33.75 2wo0 s GLU 280 CO 0.02 -0.08 0.01 0.41 0.02 0.00 0.00 175.26 175.64 2wo0 n GLY 281 N 3.77 4.07 3.56 -1.39 0.00 -0.26 -5.04 105.19 109.92 2wo0 n GLY 281 Ca -0.22 -2.12 -0.50 0.00 0.00 0.00 0.00 46.02 43.18 2wo0 n GLY 281 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wo0 n PRO 282 N -0.14 0.99 -2.07 1.61 -0.02 -1.26 -4.88 135.00 129.23 2wo0 n PRO 282 Ca -0.02 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 2wo0 n PRO 282 Cb 0.08 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 2wo0 n PRO 282 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wo0 s VAL 283 N -0.19 3.25 -0.16 -1.45 1.01 -1.26 -4.74 120.40 116.86 2wo0 s VAL 283 Ca 0.75 0.77 0.01 0.00 0.00 0.00 0.00 61.98 63.51 2wo0 s VAL 283 Cb -0.90 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.01 2wo0 s VAL 283 CO 0.53 0.02 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 2wo0 s VAL 284 N 2.05 1.93 0.21 2.92 1.01 -1.26 -5.10 120.40 122.16 2wo0 s VAL 284 Ca 0.68 -0.87 -0.32 0.00 0.00 0.00 0.00 61.98 61.47 2wo0 s VAL 284 Cb -0.37 -1.74 -0.13 0.00 0.00 0.00 0.00 36.38 34.14 2wo0 s VAL 284 CO 0.30 0.52 1.55 -2.65 0.00 0.00 0.00 175.10 174.82 2wo0 n PRO 285 N 4.48 2.27 -1.82 2.72 -0.02 -1.26 -4.56 135.00 136.81 2wo0 n PRO 285 Ca -0.20 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 2wo0 n PRO 285 Cb 0.50 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 2wo0 n PRO 285 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wo0 s VAL 286 N 0.53 2.28 0.24 -1.45 1.01 -1.26 -4.80 120.40 116.95 2wo0 s VAL 286 Ca 0.73 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 2wo0 s VAL 286 Cb -0.62 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 2wo0 s VAL 286 CO 0.42 0.02 1.29 -2.84 0.00 0.00 0.00 175.10 173.98 2wo0 s PRO 287 N 1.01 4.41 -0.10 2.72 0.02 -1.26 -4.91 135.00 136.88 2wo0 s PRO 287 Ca 0.72 2.06 0.09 0.00 0.02 0.00 0.00 61.00 63.89 2wo0 s PRO 287 Cb -0.47 -3.17 -0.12 0.00 0.02 0.00 0.00 34.50 30.76 2wo0 s PRO 287 CO 0.33 -0.19 0.03 -1.33 -0.33 0.00 0.00 177.00 175.51 2wo0 n MET 288 N 2.07 2.29 -1.66 5.54 2.81 -1.26 -4.55 117.12 122.36 2wo0 n MET 288 Ca 0.04 -0.00 -0.51 0.00 -1.81 0.00 0.00 57.70 55.42 2wo0 n MET 288 Cb 0.43 -1.26 -0.05 0.00 -0.71 0.00 0.00 33.22 31.63 2wo0 n MET 288 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2wo0 n THR 289 N -2.39 0.21 -1.65 2.03 -1.04 -1.26 -4.86 114.28 105.32 2wo0 n THR 289 Ca -0.17 -0.04 -0.54 0.00 -2.04 0.00 0.00 64.05 61.27 2wo0 n THR 289 Cb 0.82 -1.35 -0.06 0.00 -1.82 0.00 0.00 70.33 67.92 2wo0 n THR 289 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wo0 n ALA 290 N 4.37 -0.41 -3.20 2.41 0.00 -1.26 -4.93 120.51 117.49 2wo0 n ALA 290 Ca 0.21 0.45 -0.23 0.00 0.00 0.00 0.00 53.44 53.87 2wo0 n ALA 290 Cb 0.23 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 2wo0 n ALA 290 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wo0 n ARG 291 N 3.94 1.12 -1.65 0.00 5.12 -1.26 -5.12 116.66 118.81 2wo0 n ARG 291 Ca 0.22 -3.51 -0.30 0.00 -1.93 0.00 0.00 57.85 52.32 2wo0 n ARG 291 Cb 0.18 -1.52 0.06 0.00 -1.16 0.00 0.00 32.46 30.02 2wo0 n ARG 291 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2wo0 s PRO 292 N -1.80 2.60 0.00 5.56 0.04 -1.26 -4.76 135.00 135.38 2wo0 s PRO 292 Ca 0.38 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2wo0 s PRO 292 Cb 0.22 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2wo0 s PRO 292 CO -0.09 -1.27 0.49 1.97 0.04 0.00 0.00 177.00 178.14 2wo0 n PHE 293 N -3.21 0.00 0.31 0.56 1.16 -1.26 -4.78 117.46 110.24 2wo0 n PHE 293 Ca 0.07 -0.12 0.09 0.00 -1.87 0.00 0.00 57.45 55.62 2wo0 n PHE 293 Cb 0.55 -0.01 0.25 0.00 -1.61 0.00 0.00 39.48 38.67 2wo0 n PHE 293 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2wo0 n ASP 294 N -0.12 2.94 0.00 5.98 5.68 -1.26 -4.92 116.55 124.84 2wo0 n ASP 294 Ca 0.00 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 2wo0 n ASP 294 Cb 0.26 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 2wo0 n ASP 294 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wo0 n GLY 295 N 1.38 1.44 0.35 6.12 0.00 -1.26 -4.90 105.19 108.32 2wo0 n GLY 295 Ca 0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.38 2wo0 n GLY 295 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wo0 h ARG 296 N 3.15 0.00 0.00 1.61 0.11 -1.94 0.65 114.38 117.97 2wo0 h ARG 296 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wo0 h ARG 296 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2wo0 h ARG 296 CO 0.00 0.00 -0.38 -0.40 0.10 0.00 0.00 179.97 179.29 2wo0 n ASP 297 N -3.31 1.87 -4.05 0.08 5.75 -1.26 -5.04 116.55 110.58 2wo0 n ASP 297 Ca 0.01 -3.71 -0.08 0.00 -0.01 0.00 0.00 54.79 51.01 2wo0 n ASP 297 Cb 0.42 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.91 2wo0 n ASP 297 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2wo0 s ARG 298 N -3.15 0.57 -0.22 0.11 1.81 0.22 -5.13 118.95 113.17 2wo0 s ARG 298 Ca 0.37 -1.08 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 2wo0 s ARG 298 Cb 0.35 0.20 0.06 0.00 -0.45 0.00 0.00 34.95 35.10 2wo0 s ARG 298 CO -0.05 -0.11 -0.05 0.08 -0.68 0.00 0.00 175.30 174.50 2wo0 s VAL 299 N -3.44 1.35 0.62 3.52 1.01 -1.26 -4.96 120.40 117.24 2wo0 s VAL 299 Ca 0.02 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 2wo0 s VAL 299 Cb 0.04 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2wo0 s VAL 299 CO -0.08 -0.06 1.27 0.00 0.00 0.00 0.00 175.10 176.23 2wo0 s ALA 300 N 1.49 2.45 0.34 5.51 0.00 -1.26 -4.98 121.76 125.31 2wo0 s ALA 300 Ca -0.04 1.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.99 2wo0 s ALA 300 Cb -0.18 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 2wo0 s ALA 300 CO -0.07 -1.44 0.67 -1.25 0.00 0.00 0.00 175.76 173.67 2wo0 s PRO 301 N -3.34 3.74 0.17 0.00 0.04 -1.26 -5.01 135.00 129.33 2wo0 s PRO 301 Ca 0.80 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 2wo0 s PRO 301 Cb -0.35 -2.51 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 2wo0 s PRO 301 CO 0.38 0.10 1.25 0.00 0.04 0.00 0.00 177.00 178.77 2wo0 s ALA 302 N -2.19 3.47 0.05 8.56 0.00 -1.26 -5.02 121.76 125.36 2wo0 s ALA 302 Ca 0.48 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.52 2wo0 s ALA 302 Cb -0.11 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2wo0 s ALA 302 CO 0.29 -0.46 -0.21 0.08 0.00 0.00 0.00 175.76 175.47 2wo0 s VAL 303 N 0.25 1.66 0.44 0.00 1.01 -1.26 -5.13 120.40 117.37 2wo0 s VAL 303 Ca 0.56 -1.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 2wo0 s VAL 303 Cb -0.34 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 2wo0 s VAL 303 CO 0.36 0.19 1.08 -0.54 0.00 0.00 0.00 175.10 176.19 2wo0 s LYS 304 N -1.20 3.92 0.68 2.72 -0.14 -1.26 -5.01 119.74 119.44 2wo0 s LYS 304 Ca 0.07 1.55 -0.16 0.00 -1.36 0.00 0.00 55.97 56.07 2wo0 s LYS 304 Cb -0.09 -2.37 0.01 0.00 -1.68 0.00 0.00 37.83 33.70 2wo0 s LYS 304 CO 0.02 -0.36 1.21 -1.25 -0.76 0.00 0.00 175.35 174.21 2wo0 s PRO 305 N -2.77 2.46 -0.02 -1.68 0.04 -1.26 -5.06 135.00 126.72 2wo0 s PRO 305 Ca 0.62 1.78 -0.00 0.00 0.04 0.00 0.00 61.00 63.44 2wo0 s PRO 305 Cb -0.23 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2wo0 s PRO 305 CO 0.28 -1.59 0.04 1.41 0.04 0.00 0.00 177.00 177.17 2wo0 s MET 306 N -3.71 -0.01 0.02 4.56 1.75 -1.26 -5.16 119.30 115.49 2wo0 s MET 306 Ca 0.76 0.15 0.03 0.00 -1.25 0.00 0.00 55.69 55.37 2wo0 s MET 306 Cb -0.30 -0.16 -0.02 0.00 2.84 0.00 0.00 34.83 37.20 2wo0 s MET 306 CO 0.41 -0.11 -0.09 -0.65 -0.65 0.00 0.00 175.02 173.93 2wo0 s GLN 307 N 0.73 0.61 -0.26 4.11 -0.21 -1.26 -5.01 119.66 118.37 2wo0 s GLN 307 Ca -0.06 -0.53 -0.04 0.00 0.02 0.00 0.00 55.36 54.74 2wo0 s GLN 307 Cb -0.09 -0.52 0.01 0.00 1.00 0.00 0.00 33.01 33.41 2wo0 s GLN 307 CO -0.02 0.13 0.00 0.42 -2.12 0.00 0.00 175.29 173.70 2wo0 s ILE 308 N -0.74 3.50 0.04 1.08 1.01 -1.26 -5.10 121.20 119.73 2wo0 s ILE 308 Ca -0.02 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.02 2wo0 s ILE 308 Cb -0.06 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2wo0 s ILE 308 CO 0.00 0.22 -0.26 0.27 0.00 0.00 0.00 174.94 175.17 2wo0 s ILE 309 N 1.45 2.13 -0.52 2.92 -4.36 -1.26 -3.89 121.20 117.66 2wo0 s ILE 309 Ca 0.03 -1.37 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 2wo0 s ILE 309 Cb -0.16 -1.82 0.16 0.00 1.25 0.00 0.00 42.46 41.89 2wo0 s ILE 309 CO -0.01 0.38 0.36 -1.61 0.24 0.00 0.00 174.94 174.31 2wo0 s GLU 310 N -1.19 1.56 0.39 0.37 2.02 -1.26 -4.98 118.70 115.61 2wo0 s GLU 310 Ca 0.12 -2.51 0.28 0.00 0.02 0.00 0.00 54.97 52.88 2wo0 s GLU 310 Cb -0.10 -2.38 1.26 0.00 0.10 0.00 0.00 34.13 33.01 2wo0 s GLU 310 CO 0.02 -1.29 1.85 -1.00 0.02 0.00 0.00 175.26 174.86 2wo0 h PRO 311 N 5.87 0.00 -0.33 0.39 0.13 -1.97 -1.32 132.00 134.77 2wo0 h PRO 311 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2wo0 h PRO 311 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2wo0 h PRO 311 CO 0.52 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.68 2wo0 n GLU 312 N -2.58 3.04 0.00 0.86 1.02 -1.26 -3.20 120.64 118.52 2wo0 n GLU 312 Ca 0.01 -2.57 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 2wo0 n GLU 312 Cb 0.21 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 2wo0 n GLU 312 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wo0 n GLY 313 N 0.03 -2.39 3.95 0.62 0.00 -0.50 -4.81 105.19 102.08 2wo0 n GLY 313 Ca 0.18 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 2wo0 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wo0 s LYS 314 N -0.35 3.48 0.07 1.61 -0.14 -1.26 -4.83 119.74 118.32 2wo0 s LYS 314 Ca 0.00 -0.39 0.26 0.00 -1.36 0.00 0.00 55.97 54.48 2wo0 s LYS 314 Cb 0.00 -2.69 0.70 0.00 -1.68 0.00 0.00 37.83 34.16 2wo0 s LYS 314 CO 0.00 0.19 1.58 0.09 -0.76 0.00 0.00 175.35 176.45 2wo0 n ASN 315 N -1.73 0.48 -4.95 2.83 3.02 -1.26 -4.89 115.26 108.77 2wo0 n ASN 315 Ca -0.05 0.19 -0.23 0.00 -0.03 0.00 0.00 54.58 54.45 2wo0 n ASN 315 Cb 0.56 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 2wo0 n ASN 315 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2wo0 s TYR 316 N -3.06 3.40 -0.04 3.10 1.13 -1.26 -4.42 117.35 116.19 2wo0 s TYR 316 Ca 0.10 0.25 0.01 0.00 -1.41 0.00 0.00 57.07 56.03 2wo0 s TYR 316 Cb 0.16 -1.98 0.02 0.00 -1.10 0.00 0.00 41.96 39.06 2wo0 s TYR 316 CO 0.64 0.02 -0.05 0.99 -2.51 0.00 0.00 175.55 174.64 2wo0 s THR 317 N -2.34 0.57 -0.25 -3.49 2.01 0.19 -4.68 115.64 107.65 2wo0 s THR 317 Ca 0.42 -0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 2wo0 s THR 317 Cb -0.10 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.83 2wo0 s THR 317 CO 0.36 0.23 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.87 2wo0 s ILE 318 N 0.85 3.46 -0.29 1.82 1.01 0.16 -0.73 121.20 127.48 2wo0 s ILE 318 Ca -0.12 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2wo0 s ILE 318 Cb -0.14 -2.67 0.07 0.00 0.01 0.00 0.00 42.46 39.72 2wo0 s ILE 318 CO 0.01 0.29 -0.04 -0.89 0.00 0.00 0.00 174.94 174.30 2wo0 s THR 319 N 1.46 2.47 0.00 2.92 2.01 0.71 -1.63 115.64 123.57 2wo0 s THR 319 Ca 0.04 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 60.33 2wo0 s THR 319 Cb -0.15 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.84 2wo0 s THR 319 CO -0.02 -0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 2wo0 n GLY 320 N 4.46 1.34 0.29 4.40 0.00 -1.20 -0.60 105.19 113.88 2wo0 n GLY 320 Ca -0.10 0.52 0.03 0.00 0.00 0.00 0.00 46.02 46.47 2wo0 n GLY 320 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wo0 n ASP 321 N 8.48 1.73 -4.76 1.61 8.00 -1.26 -5.00 116.55 125.36 2wo0 n ASP 321 Ca 0.00 -1.41 -0.40 0.00 0.71 0.00 0.00 54.79 53.69 2wo0 n ASP 321 Cb 0.00 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 2wo0 n ASP 321 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wo0 s MET 322 N -0.63 4.64 -0.09 -1.24 -1.94 0.23 -1.29 119.30 118.98 2wo0 s MET 322 Ca 0.09 1.25 0.04 0.00 -1.71 0.00 0.00 55.69 55.36 2wo0 s MET 322 Cb 0.06 -3.29 -0.00 0.00 2.01 0.00 0.00 34.83 33.61 2wo0 s MET 322 CO 0.09 0.49 -0.23 0.42 -0.01 0.00 0.00 175.02 175.78 2wo0 s ILE 323 N -0.92 1.95 -0.04 2.53 1.01 0.41 -0.21 121.20 125.93 2wo0 s ILE 323 Ca 0.38 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 60.13 2wo0 s ILE 323 Cb -0.23 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 2wo0 s ILE 323 CO 0.28 0.54 -0.23 -2.28 0.00 0.00 0.00 174.94 173.24 2wo0 s HIS 324 N 0.26 2.46 -0.30 3.97 5.65 0.09 -1.32 115.29 126.10 2wo0 s HIS 324 Ca -0.15 -0.50 -0.07 0.00 0.25 0.00 0.00 55.06 54.59 2wo0 s HIS 324 Cb -0.17 -1.57 0.16 0.00 -1.18 0.00 0.00 32.58 29.82 2wo0 s HIS 324 CO 0.07 -0.07 0.71 -0.46 -0.65 0.00 0.00 174.74 174.34 2wo0 s TRP 325 N -0.43 -1.30 0.00 3.88 -0.00 -0.57 -0.64 118.94 119.88 2wo0 s TRP 325 Ca 0.05 1.81 0.00 0.00 -0.00 0.00 0.00 56.10 57.96 2wo0 s TRP 325 Cb -0.12 0.62 0.00 0.00 -0.00 0.00 0.00 33.47 33.97 2wo0 s TRP 325 CO 0.01 -0.68 0.00 0.54 -0.00 0.00 0.00 176.95 176.82 2wo0 n ARG 326 N 5.38 0.00 -0.00 5.86 5.12 -1.26 0.16 116.66 131.93 2wo0 n ARG 326 Ca -0.07 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.00 2wo0 n ARG 326 Cb 0.51 0.00 0.79 0.00 -1.16 0.00 0.00 32.46 32.60 2wo0 n ARG 326 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2wo0 n ASN 327 N 2.94 0.50 -4.82 0.55 3.02 -1.26 -4.86 115.26 111.33 2wo0 n ASN 327 Ca 0.00 -1.18 -0.38 0.00 -0.03 0.00 0.00 54.58 52.99 2wo0 n ASN 327 Cb 0.00 -0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 2wo0 n ASN 327 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2wo0 s TRP 328 N -2.00 3.76 -0.02 3.10 0.52 0.12 -0.32 118.94 124.10 2wo0 s TRP 328 Ca 0.44 1.16 0.03 0.00 0.02 0.00 0.00 56.10 57.75 2wo0 s TRP 328 Cb 0.21 -2.41 -0.00 0.00 -1.15 0.00 0.00 33.47 30.12 2wo0 s TRP 328 CO 0.35 0.59 -0.12 -0.51 0.02 0.00 0.00 176.95 177.28 2wo0 s ASP 329 N -1.17 1.49 0.15 2.95 1.11 -0.90 -1.50 116.67 118.79 2wo0 s ASP 329 Ca 0.28 -0.23 -0.25 0.00 0.18 0.00 0.00 52.55 52.53 2wo0 s ASP 329 Cb -0.18 -0.33 0.06 0.00 1.07 0.00 0.00 42.92 43.55 2wo0 s ASP 329 CO 0.17 0.11 0.97 0.72 1.18 0.00 0.00 175.17 178.33 2wo0 s PHE 330 N 0.00 -0.12 -0.07 4.23 -0.71 -0.44 -1.57 117.98 119.31 2wo0 s PHE 330 Ca -0.01 -0.19 0.05 0.00 -1.04 0.00 0.00 56.93 55.74 2wo0 s PHE 330 Cb -0.08 0.64 -0.00 0.00 -1.21 0.00 0.00 43.02 42.37 2wo0 s PHE 330 CO 0.00 -0.83 -0.22 -1.58 -1.34 0.00 0.00 175.22 171.26 2wo0 s HIS 331 N -3.21 2.22 -0.21 3.49 5.65 -0.20 0.15 115.29 123.19 2wo0 s HIS 331 Ca 0.13 -0.75 0.02 0.00 0.25 0.00 0.00 55.06 54.70 2wo0 s HIS 331 Cb -0.01 -1.48 0.04 0.00 -1.18 0.00 0.00 32.58 29.94 2wo0 s HIS 331 CO 0.02 -0.27 -0.13 -1.17 -0.65 0.00 0.00 174.74 172.54 2wo0 s LEU 332 N 0.10 2.57 0.38 8.88 2.96 -0.41 -0.66 118.68 132.51 2wo0 s LEU 332 Ca -0.09 -0.97 0.04 0.00 -0.22 0.00 0.00 54.13 52.89 2wo0 s LEU 332 Cb -0.15 -1.39 -0.06 0.00 0.50 0.00 0.00 46.19 45.10 2wo0 s LEU 332 CO 0.05 -0.12 0.05 -0.94 -1.32 0.00 0.00 176.35 174.07 2wo0 s SER 333 N 1.28 3.06 -0.05 3.68 1.04 -0.45 -4.81 113.70 117.46 2wo0 s SER 333 Ca -0.02 -1.46 0.04 0.00 0.48 0.00 0.00 55.95 55.00 2wo0 s SER 333 Cb -0.16 0.00 -0.00 0.00 0.10 0.00 0.00 66.02 65.96 2wo0 s SER 333 CO -0.09 -0.65 -0.18 -0.32 0.98 0.00 0.00 173.24 172.98 2wo0 s MET 334 N -3.81 1.98 -0.05 4.02 1.75 -1.26 -0.79 119.30 121.14 2wo0 s MET 334 Ca 0.30 -0.66 0.05 0.00 -1.25 0.00 0.00 55.69 54.13 2wo0 s MET 334 Cb 0.07 -1.69 -0.02 0.00 2.84 0.00 0.00 34.83 36.03 2wo0 s MET 334 CO 0.14 0.24 -0.19 1.21 -0.65 0.00 0.00 175.02 175.78 2wo0 s ASN 335 N 0.07 3.65 0.50 1.11 3.84 0.13 -4.93 114.94 119.32 2wo0 s ASN 335 Ca -0.06 -0.32 0.21 0.00 0.21 0.00 0.00 52.86 52.91 2wo0 s ASN 335 Cb -0.13 -0.81 1.30 0.00 -0.55 0.00 0.00 41.25 41.06 2wo0 s ASN 335 CO 0.03 0.31 2.07 0.77 -2.79 0.00 0.00 177.10 177.48 2wo0 h SER 336 N 5.63 0.00 0.00 -4.21 4.64 -1.91 0.69 113.55 118.39 2wo0 h SER 336 Ca -0.41 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 2wo0 h SER 336 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2wo0 h SER 336 CO 0.50 0.13 -0.59 -0.09 -0.87 0.00 0.00 176.83 175.90 2wo0 h ARG 337 N 0.00 0.00 -0.01 4.77 2.43 -1.89 0.05 114.38 119.72 2wo0 h ARG 337 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wo0 h ARG 337 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2wo0 h ARG 337 CO 0.02 0.60 -0.17 1.33 -1.51 0.00 0.00 179.97 180.24 2wo0 n VAL 338 N -4.57 0.00 -2.61 0.20 0.24 -1.23 -1.56 118.33 108.81 2wo0 n VAL 338 Ca -0.16 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 2wo0 n VAL 338 Cb 0.43 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 2wo0 n VAL 338 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wo0 n GLY 339 N 0.87 0.43 3.80 7.63 0.00 0.23 -4.53 105.19 113.63 2wo0 n GLY 339 Ca 0.05 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 2wo0 n GLY 339 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wo0 s PRO 340 N 0.00 4.18 -0.04 1.61 0.04 -1.26 -0.69 135.00 138.83 2wo0 s PRO 340 Ca 0.00 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.34 2wo0 s PRO 340 Cb 0.00 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2wo0 s PRO 340 CO 0.00 -0.09 -0.14 -1.64 0.04 0.00 0.00 177.00 175.18 2wo0 s MET 341 N -2.92 1.51 -0.22 4.56 -1.94 0.03 -4.30 119.30 116.03 2wo0 s MET 341 Ca 0.61 -0.47 -0.04 0.00 -1.71 0.00 0.00 55.69 54.07 2wo0 s MET 341 Cb -0.14 -1.32 -0.01 0.00 2.01 0.00 0.00 34.83 35.37 2wo0 s MET 341 CO 0.18 0.16 -0.03 0.42 -0.01 0.00 0.00 175.02 175.74 2wo0 s ILE 342 N 0.22 3.54 0.13 2.53 -1.09 -0.30 -1.34 121.20 124.89 2wo0 s ILE 342 Ca -0.06 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 57.96 2wo0 s ILE 342 Cb -0.12 -2.61 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 2wo0 s ILE 342 CO 0.02 0.42 -0.09 -0.44 -1.23 0.00 0.00 174.94 173.61 2wo0 s SER 343 N 1.42 1.59 -1.41 3.58 0.01 0.17 -0.54 113.70 118.52 2wo0 s SER 343 Ca 0.05 -0.99 -0.07 0.00 1.31 0.00 0.00 55.95 56.25 2wo0 s SER 343 Cb -0.14 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.11 2wo0 s SER 343 CO -0.02 -0.36 0.33 0.35 0.41 0.00 0.00 173.24 173.96 2wo0 n THR 344 N -0.06 -2.50 -2.74 1.44 -2.24 0.87 -1.03 114.28 108.02 2wo0 n THR 344 Ca -0.11 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 60.68 2wo0 n THR 344 Cb 0.60 -2.13 -0.03 0.00 -2.10 0.00 0.00 70.33 66.67 2wo0 n THR 344 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wo0 s VAL 345 N -4.01 4.68 0.16 2.28 1.01 0.12 -4.25 120.40 120.38 2wo0 s VAL 345 Ca 0.12 1.72 0.07 0.00 0.00 0.00 0.00 61.98 63.90 2wo0 s VAL 345 Cb -0.06 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2wo0 s VAL 345 CO 0.94 -0.26 -0.15 0.42 0.00 0.00 0.00 175.10 176.05 2wo0 s THR 346 N 3.23 1.57 -0.21 3.92 -4.23 -0.61 -1.15 115.64 118.15 2wo0 s THR 346 Ca 0.41 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 58.97 2wo0 s THR 346 Cb -0.14 -1.77 -0.01 0.00 1.34 0.00 0.00 72.50 71.92 2wo0 s THR 346 CO 0.10 -0.45 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.21 2wo0 s TYR 347 N -2.38 2.94 -0.80 3.99 6.14 0.12 -2.12 117.35 125.24 2wo0 s TYR 347 Ca 0.15 -0.96 -0.26 0.00 0.64 0.00 0.00 57.07 56.64 2wo0 s TYR 347 Cb -0.04 -2.08 0.02 0.00 0.42 0.00 0.00 41.96 40.29 2wo0 s TYR 347 CO 0.05 -0.54 1.43 1.21 0.64 0.00 0.00 175.55 178.34 2wo0 s ASN 348 N 1.41 6.08 -0.67 4.32 3.84 0.56 -0.99 114.94 129.49 2wo0 s ASN 348 Ca 0.05 -0.61 -0.25 0.00 0.21 0.00 0.00 52.86 52.26 2wo0 s ASN 348 Cb -0.14 -2.56 0.05 0.00 -0.55 0.00 0.00 41.25 38.05 2wo0 s ASN 348 CO -0.03 -1.87 1.08 -0.62 -2.79 0.00 0.00 177.10 172.86 2wo0 s ASP 349 N 4.82 6.21 -1.74 -4.21 -1.08 0.96 -4.42 116.67 117.20 2wo0 s ASP 349 Ca 0.44 -0.66 -0.18 0.00 -0.52 0.00 0.00 52.55 51.62 2wo0 s ASP 349 Cb -0.07 -2.48 0.17 0.00 -1.46 0.00 0.00 42.92 39.09 2wo0 s ASP 349 CO 0.09 -1.55 0.68 -3.20 0.52 0.00 0.00 175.17 171.71 2wo0 n ASN 350 N 8.28 -2.53 0.00 -0.34 5.15 -1.26 -1.39 115.26 123.17 2wo0 n ASN 350 Ca -0.00 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.88 2wo0 n ASN 350 Cb 0.47 -2.37 0.00 0.00 -0.53 0.00 0.00 39.78 37.35 2wo0 n ASN 350 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wo0 n GLY 351 N -1.38 1.78 3.21 8.20 0.00 -1.26 -5.08 105.19 110.66 2wo0 n GLY 351 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2wo0 n GLY 351 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wo0 s THR 352 N -2.21 2.15 -0.24 2.61 2.01 -0.49 -5.08 115.64 114.40 2wo0 s THR 352 Ca 0.00 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 2wo0 s THR 352 Cb 0.00 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.67 2wo0 s THR 352 CO 0.00 0.55 1.02 -0.54 -0.69 0.00 0.00 174.62 174.96 2wo0 s LYS 353 N 0.58 4.23 -0.14 4.92 1.02 -1.26 -0.03 119.74 129.06 2wo0 s LYS 353 Ca -0.12 1.29 -0.04 0.00 0.02 0.00 0.00 55.97 57.11 2wo0 s LYS 353 Cb -0.17 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 2wo0 s LYS 353 CO 0.03 -0.65 0.02 1.03 -0.92 0.00 0.00 175.35 174.86 2wo0 s ARG 354 N 3.21 3.52 0.46 1.68 0.52 -0.17 -4.90 118.95 123.27 2wo0 s ARG 354 Ca 0.43 -0.41 -0.24 0.00 -0.52 0.00 0.00 55.73 55.00 2wo0 s ARG 354 Cb -0.15 -2.98 -0.07 0.00 0.52 0.00 0.00 34.95 32.27 2wo0 s ARG 354 CO 0.07 0.44 1.27 0.15 0.02 0.00 0.00 175.30 177.25 2wo0 s LYS 355 N -0.13 3.69 0.19 3.54 1.02 -1.26 -0.70 119.74 126.09 2wo0 s LYS 355 Ca 0.05 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.08 2wo0 s LYS 355 Cb -0.12 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2wo0 s LYS 355 CO 0.02 -0.68 0.00 0.28 -0.92 0.00 0.00 175.35 174.05 2wo0 n VAL 356 N -0.36 0.65 -3.95 3.17 0.31 -0.30 -1.01 118.33 116.83 2wo0 n VAL 356 Ca 0.07 0.22 -0.24 0.00 -0.01 0.00 0.00 64.34 64.37 2wo0 n VAL 356 Cb 0.45 -1.08 -0.17 0.00 -0.91 0.00 0.00 33.84 32.13 2wo0 n VAL 356 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2wo0 s MET 357 N -2.00 1.06 0.01 5.55 -2.45 -1.04 -1.65 119.30 118.79 2wo0 s MET 357 Ca 0.00 -0.10 -0.22 0.00 -1.25 0.00 0.00 55.69 54.12 2wo0 s MET 357 Cb 0.00 -1.20 -0.12 0.00 1.25 0.00 0.00 34.83 34.76 2wo0 s MET 357 CO 0.00 -0.23 1.03 -0.92 1.05 0.00 0.00 175.02 175.96 2wo0 h TYR 358 N 7.96 -0.74 -3.64 4.11 3.20 -1.37 0.38 116.97 126.88 2wo0 h TYR 358 Ca -0.27 -0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.30 2wo0 h TYR 358 Cb 1.14 0.25 -0.31 0.00 1.54 0.00 0.00 36.73 39.34 2wo0 h TYR 358 CO 0.48 -0.46 -0.73 -1.21 -1.64 0.00 0.00 178.16 174.60 2wo0 s GLU 359 N -4.29 0.07 0.03 1.82 2.02 -1.16 -0.09 118.70 117.11 2wo0 s GLU 359 Ca -0.12 0.06 0.05 0.00 0.02 0.00 0.00 54.97 54.98 2wo0 s GLU 359 Cb 0.01 -0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.03 2wo0 s GLU 359 CO 0.35 -0.07 -0.14 0.20 0.02 0.00 0.00 175.26 175.62 2wo0 s GLY 360 N 0.52 0.77 0.04 -1.39 0.00 0.30 -0.80 107.32 106.76 2wo0 s GLY 360 Ca -0.05 -0.79 -0.28 0.00 0.00 0.00 0.00 44.72 43.60 2wo0 s GLY 360 CO -0.01 -0.76 1.01 -1.35 0.00 0.00 0.00 173.10 171.99 2wo0 s SER 361 N -1.03 -0.22 0.20 1.64 1.04 -0.62 -1.15 113.70 113.56 2wo0 s SER 361 Ca 0.02 -0.19 -0.32 0.00 0.48 0.00 0.00 55.95 55.94 2wo0 s SER 361 Cb -0.07 0.37 -0.15 0.00 0.10 0.00 0.00 66.02 66.27 2wo0 s SER 361 CO 0.01 -0.65 1.21 -0.11 0.98 0.00 0.00 173.24 174.68 2wo0 n LEU 362 N -0.36 1.93 -0.08 2.42 7.94 -1.26 -1.29 117.00 126.30 2wo0 n LEU 362 Ca -0.07 1.14 -0.11 0.00 -1.11 0.00 0.00 56.01 55.87 2wo0 n LEU 362 Cb 0.61 -1.27 -0.05 0.00 0.53 0.00 0.00 43.42 43.24 2wo0 n LEU 362 CO 0.12 -1.11 -0.39 1.23 -1.11 0.00 0.00 177.39 176.13 2wo0 h GLY 363 N 3.46 0.00 -3.13 -3.96 0.00 -0.33 -3.42 103.07 95.69 2wo0 h GLY 363 Ca -0.43 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.08 2wo0 h GLY 363 CO 0.71 0.00 0.61 -0.32 0.00 0.00 0.00 176.54 177.53 2wo0 s GLY 364 N -4.43 -0.37 0.20 4.60 0.00 -0.96 -4.38 107.32 101.98 2wo0 s GLY 364 Ca -0.19 0.90 -0.02 0.00 0.00 0.00 0.00 44.72 45.40 2wo0 s GLY 364 CO 0.35 0.27 0.16 -3.16 0.00 0.00 0.00 173.10 170.72 2wo0 s MET 365 N -2.91 1.21 -0.19 2.90 0.23 -1.26 -0.69 119.30 118.59 2wo0 s MET 365 Ca 0.09 -1.57 -0.18 0.00 -1.03 0.00 0.00 55.69 53.01 2wo0 s MET 365 Cb -0.00 0.29 0.05 0.00 -1.53 0.00 0.00 34.83 33.64 2wo0 s MET 365 CO -0.05 -0.40 0.52 -1.50 -2.03 0.00 0.00 175.02 171.55 2wo0 s ILE 366 N -4.13 -0.00 -0.46 3.16 2.07 -0.23 -3.72 121.20 117.88 2wo0 s ILE 366 Ca 0.36 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.63 2wo0 s ILE 366 Cb 0.06 -0.72 0.13 0.00 0.13 0.00 0.00 42.46 42.06 2wo0 s ILE 366 CO 0.11 0.00 0.22 -0.69 -1.91 0.00 0.00 174.94 172.67 2wo0 s VAL 367 N 0.34 2.14 -0.01 4.00 1.01 0.33 -1.24 120.40 126.97 2wo0 s VAL 367 Ca -0.01 -2.89 -0.12 0.00 0.00 0.00 0.00 61.98 58.96 2wo0 s VAL 367 Cb -0.04 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 2wo0 s VAL 367 CO -0.00 -0.79 0.35 -2.16 0.00 0.00 0.00 175.10 172.49 2wo0 s PRO 368 N 0.13 3.77 0.24 2.72 0.04 -1.24 -1.88 135.00 138.78 2wo0 s PRO 368 Ca 0.16 0.23 0.07 0.00 0.04 0.00 0.00 61.00 61.50 2wo0 s PRO 368 Cb -0.24 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2wo0 s PRO 368 CO -0.02 0.68 0.13 0.71 0.04 0.00 0.00 177.00 178.54 2wo0 s TYR 369 N -1.15 3.00 -0.22 0.56 1.51 -1.13 -1.91 117.35 118.01 2wo0 s TYR 369 Ca 0.24 -0.13 0.15 0.00 -1.01 0.00 0.00 57.07 56.32 2wo0 s TYR 369 Cb -0.15 -1.36 0.56 0.00 -0.11 0.00 0.00 41.96 40.90 2wo0 s TYR 369 CO 0.13 0.54 1.49 0.41 -1.11 0.00 0.00 175.55 177.01 2wo0 n GLY 370 N -0.94 4.10 3.22 0.71 0.00 -0.73 -4.96 105.19 106.60 2wo0 n GLY 370 Ca -0.08 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 2wo0 n GLY 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wo0 s ASP 371 N -1.89 3.25 0.00 1.61 -1.08 -1.26 -4.96 116.67 112.34 2wo0 s ASP 371 Ca 0.45 -0.54 0.27 0.00 -0.52 0.00 0.00 52.55 52.20 2wo0 s ASP 371 Cb 0.37 -1.46 0.82 0.00 -1.46 0.00 0.00 42.92 41.19 2wo0 s ASP 371 CO 0.08 0.12 1.62 -0.81 0.52 0.00 0.00 175.17 176.71 2wo0 n PRO 372 N 3.77 0.17 -0.28 4.34 -0.04 -1.26 -2.48 135.00 139.22 2wo0 n PRO 372 Ca -0.19 -0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 62.89 2wo0 n PRO 372 Cb 0.52 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.77 2wo0 n PRO 372 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wo0 n ASP 373 N -1.35 -3.68 -0.04 3.54 9.92 -1.26 -4.24 116.55 119.44 2wo0 n ASP 373 Ca 0.08 -0.72 -0.08 0.00 -0.53 0.00 0.00 54.79 53.54 2wo0 n ASP 373 Cb 0.33 -1.06 0.09 0.00 -0.64 0.00 0.00 41.12 39.84 2wo0 n ASP 373 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2wo0 h ILE 374 N -3.45 1.29 0.00 0.53 6.09 -1.96 -1.95 117.51 118.06 2wo0 h ILE 374 Ca -0.45 -1.52 0.00 0.00 -1.37 0.00 0.00 64.86 61.52 2wo0 h ILE 374 Cb 1.33 1.47 0.00 0.00 0.47 0.00 0.00 36.82 40.09 2wo0 h ILE 374 CO 0.30 0.49 0.00 0.61 -3.07 0.00 0.00 178.15 176.48 2wo0 n GLY 375 N -0.04 -0.91 0.00 8.18 0.00 -1.26 -4.43 105.19 106.73 2wo0 n GLY 375 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2wo0 n GLY 375 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wo0 n TRP 376 N -1.05 0.00 0.21 1.61 7.02 -1.02 -4.79 117.44 119.41 2wo0 n TRP 376 Ca 0.19 0.00 0.18 0.00 -1.02 0.00 0.00 57.50 56.85 2wo0 n TRP 376 Cb 0.11 0.00 0.84 0.00 -2.42 0.00 0.00 31.31 29.84 2wo0 n TRP 376 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2wo0 h TYR 377 N 0.00 0.00 0.00 -5.99 -0.00 -1.04 0.11 116.97 110.05 2wo0 h TYR 377 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2wo0 h TYR 377 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.89 2wo0 h TYR 377 CO 0.00 0.00 -1.43 1.97 -0.00 0.00 0.00 178.16 178.70 2wo0 n PHE 378 N -3.70 0.00 -1.68 0.10 -1.74 -1.26 -4.98 117.46 104.21 2wo0 n PHE 378 Ca 0.02 0.00 -0.46 0.00 -0.56 0.00 0.00 57.45 56.45 2wo0 n PHE 378 Cb 0.35 -0.23 -0.04 0.00 1.52 0.00 0.00 39.48 41.07 2wo0 n PHE 378 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 2wo0 n LYS 379 N -1.84 2.42 -3.15 3.97 4.81 0.36 -4.69 118.16 120.05 2wo0 n LYS 379 Ca -0.00 0.88 0.05 0.00 -0.87 0.00 0.00 58.31 58.38 2wo0 n LYS 379 Cb 0.42 -2.76 -0.00 0.00 0.02 0.00 0.00 35.03 32.71 2wo0 n LYS 379 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wo0 s ALA 380 N 3.69 -3.61 -0.20 3.14 0.00 -1.26 -2.85 121.76 120.68 2wo0 s ALA 380 Ca 0.89 1.32 -0.28 0.00 0.00 0.00 0.00 51.96 53.90 2wo0 s ALA 380 Cb -0.60 -2.72 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2wo0 s ALA 380 CO 0.46 -1.94 0.96 0.71 0.00 0.00 0.00 175.76 175.95 2wo0 s TYR 381 N 2.93 3.39 -1.03 0.00 1.51 -0.79 -4.84 117.35 118.51 2wo0 s TYR 381 Ca 0.20 1.40 -0.11 0.00 -1.01 0.00 0.00 57.07 57.55 2wo0 s TYR 381 Cb -0.05 -3.17 0.24 0.00 -0.11 0.00 0.00 41.96 38.87 2wo0 s TYR 381 CO -0.22 -0.37 1.05 -0.51 -1.11 0.00 0.00 175.55 174.39 2wo0 s LEU 382 N 2.71 6.27 0.18 -1.29 1.43 -1.26 -0.51 118.68 126.20 2wo0 s LEU 382 Ca 0.42 -3.21 -0.13 0.00 -1.03 0.00 0.00 54.13 50.18 2wo0 s LEU 382 Cb -0.16 -2.24 0.12 0.00 0.03 0.00 0.00 46.19 43.95 2wo0 s LEU 382 CO 0.10 -0.45 1.79 0.44 0.23 0.00 0.00 176.35 178.45 2wo0 h ASP 383 N 7.13 0.36 0.18 2.29 3.32 -1.93 0.57 116.42 128.34 2wo0 h ASP 383 Ca 0.17 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2wo0 h ASP 383 Cb 0.93 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2wo0 h ASP 383 CO 0.97 0.25 -0.08 0.77 -1.72 0.00 0.00 179.24 179.42 2wo0 h SER 384 N 0.49 -0.20 -0.86 6.45 4.64 -1.82 -1.89 113.55 120.36 2wo0 h SER 384 Ca 0.21 -0.15 0.04 0.00 -0.47 0.00 0.00 61.79 61.42 2wo0 h SER 384 Cb 0.12 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 2wo0 h SER 384 CO -0.15 0.33 0.57 1.23 -0.87 0.00 0.00 176.83 177.93 2wo0 h GLY 385 N -1.02 1.23 0.42 -0.77 0.00 -1.79 0.16 103.07 101.29 2wo0 h GLY 385 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2wo0 h GLY 385 CO 0.04 0.36 -1.47 1.22 0.00 0.00 0.00 176.54 176.70 2wo0 n ASP 386 N -4.45 0.42 0.00 0.19 8.00 0.20 -4.67 116.55 116.25 2wo0 n ASP 386 Ca 0.11 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2wo0 n ASP 386 Cb 0.11 1.25 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 2wo0 n ASP 386 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wo0 n TYR 387 N -2.30 0.00 -1.24 1.24 4.02 -0.75 -0.86 117.16 117.27 2wo0 n TYR 387 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2wo0 n TYR 387 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 2wo0 n TYR 387 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wo0 n GLY 388 N 1.77 -0.96 0.21 2.72 0.00 0.56 -4.82 105.19 104.67 2wo0 n GLY 388 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 2wo0 n GLY 388 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2wo0 h MET 389 N 0.00 0.26 0.15 1.61 2.86 -1.32 -2.00 114.93 116.49 2wo0 h MET 389 Ca 0.00 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2wo0 h MET 389 Cb 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2wo0 h MET 389 CO 0.00 0.59 -0.07 0.78 1.06 0.00 0.00 176.91 179.27 2wo0 h GLY 390 N 1.13 -0.21 0.03 8.32 0.00 -1.08 -2.25 103.07 109.00 2wo0 h GLY 390 Ca 0.03 0.08 0.17 0.00 0.00 0.00 0.00 47.33 47.61 2wo0 h GLY 390 CO 0.06 -0.08 0.35 -0.84 0.00 0.00 0.00 176.54 176.03 2wo0 h THR 391 N -0.30 0.60 -0.64 4.70 2.02 -0.86 -0.82 112.91 117.61 2wo0 h THR 391 Ca -0.02 -0.16 -0.26 0.00 0.77 0.00 0.00 66.41 66.75 2wo0 h THR 391 Cb 0.24 0.10 -0.15 0.00 -1.74 0.00 0.00 68.15 66.59 2wo0 h THR 391 CO 0.03 0.08 0.33 0.18 0.37 0.00 0.00 175.52 176.51 2wo0 n LEU 392 N -5.00 5.40 -4.64 2.58 4.77 -0.77 -4.94 117.00 114.39 2wo0 n LEU 392 Ca 0.18 -2.83 -0.47 0.00 -0.03 0.00 0.00 56.01 52.86 2wo0 n LEU 392 Cb 0.50 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 2wo0 n LEU 392 CO 0.16 0.78 1.03 0.41 -1.33 0.00 0.00 177.39 178.44 2wo0 n THR 393 N -0.33 0.38 -3.49 -5.08 -1.04 -0.31 -1.86 114.28 102.54 2wo0 n THR 393 Ca 0.37 -0.10 -0.40 0.00 -2.04 0.00 0.00 64.05 61.88 2wo0 n THR 393 Cb 1.24 -1.29 -0.10 0.00 -1.82 0.00 0.00 70.33 68.36 2wo0 n THR 393 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2wo0 s SER 394 N 0.53 6.11 0.11 8.00 0.01 0.18 -4.86 113.70 123.78 2wo0 s SER 394 Ca 0.76 -0.23 -0.36 0.00 1.31 0.00 0.00 55.95 57.43 2wo0 s SER 394 Cb -0.75 -2.16 -0.17 0.00 0.21 0.00 0.00 66.02 63.16 2wo0 s SER 394 CO 0.45 -0.23 1.24 -2.65 0.41 0.00 0.00 173.24 172.46 2wo0 n PRO 395 N 5.20 1.02 -1.91 12.44 -0.02 -1.26 -4.54 135.00 145.93 2wo0 n PRO 395 Ca -0.11 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 2wo0 n PRO 395 Cb 0.50 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 2wo0 n PRO 395 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wo0 s ILE 396 N 0.20 2.48 -0.70 4.25 1.01 0.72 -4.95 121.20 124.22 2wo0 s ILE 396 Ca 0.81 0.36 -0.25 0.00 0.00 0.00 0.00 60.65 61.57 2wo0 s ILE 396 Cb -0.95 -3.23 0.05 0.00 0.01 0.00 0.00 42.46 38.33 2wo0 s ILE 396 CO 0.50 0.04 1.15 0.00 0.00 0.00 0.00 174.94 176.62 2wo0 s ALA 397 N 0.70 2.91 0.16 9.38 0.00 -1.26 -4.91 121.76 128.74 2wo0 s ALA 397 Ca 0.67 -1.53 -0.32 0.00 0.00 0.00 0.00 51.96 50.78 2wo0 s ALA 397 Cb -0.45 -4.08 -0.17 0.00 0.00 0.00 0.00 23.12 18.42 2wo0 s ALA 397 CO 0.37 -3.05 0.92 -2.13 0.00 0.00 0.00 175.76 171.87 2wo0 n ARG 398 N 8.65 0.58 0.00 0.00 0.63 -1.26 -0.62 116.66 124.64 2wo0 n ARG 398 Ca 0.01 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 2wo0 n ARG 398 Cb 0.48 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.86 2wo0 n ARG 398 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wo0 n GLY 399 N 1.81 2.98 0.69 5.14 0.00 -0.84 -4.70 105.19 110.27 2wo0 n GLY 399 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2wo0 n GLY 399 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wo0 n LYS 400 N -1.52 0.21 0.23 1.61 5.02 0.21 -4.50 118.16 119.41 2wo0 n LYS 400 Ca 0.00 0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.50 2wo0 n LYS 400 Cb 0.00 -0.86 0.33 0.00 -0.02 0.00 0.00 35.03 34.49 2wo0 n LYS 400 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2wo0 h ASP 401 N -0.37 0.00 -5.00 4.39 3.32 -1.68 -3.45 116.42 113.64 2wo0 h ASP 401 Ca -0.19 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.71 2wo0 h ASP 401 Cb 1.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.35 2wo0 h ASP 401 CO -0.12 0.09 -0.53 0.00 -1.72 0.00 0.00 179.24 176.97 2wo0 s ALA 402 N -3.36 -0.21 1.01 3.45 0.00 -1.26 -4.97 121.76 116.42 2wo0 s ALA 402 Ca 0.04 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 2wo0 s ALA 402 Cb 0.07 0.14 0.11 0.00 0.00 0.00 0.00 23.12 23.44 2wo0 s ALA 402 CO 0.64 -0.22 0.54 -0.35 0.00 0.00 0.00 175.76 176.37 2wo0 n PRO 403 N 1.36 -0.90 0.00 0.00 -0.04 -1.26 -1.98 135.00 132.18 2wo0 n PRO 403 Ca -0.22 -0.22 0.14 0.00 -0.04 0.00 0.00 63.50 63.15 2wo0 n PRO 403 Cb 0.56 -1.96 0.80 0.00 -0.04 0.00 0.00 33.50 32.85 2wo0 n PRO 403 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wo0 n SER 404 N -2.44 0.00 -1.03 3.54 3.41 -1.26 -2.51 113.62 113.33 2wo0 n SER 404 Ca 0.06 -0.72 0.08 0.00 -0.26 0.00 0.00 58.87 58.03 2wo0 n SER 404 Cb 0.55 -0.06 0.25 0.00 -0.26 0.00 0.00 64.21 64.70 2wo0 n SER 404 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wo0 n ASN 405 N -1.06 3.84 -4.77 4.04 6.94 -1.25 -4.81 115.26 118.19 2wo0 n ASN 405 Ca 0.19 -2.47 -0.30 0.00 -0.02 0.00 0.00 54.58 51.99 2wo0 n ASN 405 Cb 0.12 -0.44 0.11 0.00 -2.36 0.00 0.00 39.78 37.21 2wo0 n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wo0 s ALA 406 N -1.86 1.92 -0.09 -2.53 0.00 -1.04 -4.73 121.76 113.44 2wo0 s ALA 406 Ca 0.38 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.15 2wo0 s ALA 406 Cb 0.26 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2wo0 s ALA 406 CO 0.16 -2.03 -0.18 0.08 0.00 0.00 0.00 175.76 173.79 2wo0 s VAL 407 N -3.10 2.62 -0.16 0.00 1.01 0.20 -4.43 120.40 116.53 2wo0 s VAL 407 Ca 0.62 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 2wo0 s VAL 407 Cb -0.16 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2wo0 s VAL 407 CO 0.55 0.55 -0.03 -0.76 0.00 0.00 0.00 175.10 175.42 2wo0 s LEU 408 N 0.03 3.28 0.06 3.92 1.43 -1.26 -0.77 118.68 125.37 2wo0 s LEU 408 Ca -0.07 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2wo0 s LEU 408 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2wo0 s LEU 408 CO 0.05 0.16 0.19 -0.76 0.23 0.00 0.00 176.35 176.22 2wo0 s LEU 409 N 0.44 4.27 0.07 1.79 1.43 0.12 -4.76 118.68 122.04 2wo0 s LEU 409 Ca -0.03 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2wo0 s LEU 409 Cb -0.14 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 2wo0 s LEU 409 CO 0.03 0.17 0.27 0.20 0.23 0.00 0.00 176.35 177.25 2wo0 s ASN 410 N -2.48 6.42 0.00 2.29 0.01 -1.26 0.11 114.94 120.03 2wo0 s ASN 410 Ca 0.34 0.42 -0.05 0.00 -0.71 0.00 0.00 52.86 52.86 2wo0 s ASN 410 Cb -0.13 -2.02 -0.00 0.00 0.41 0.00 0.00 41.25 39.50 2wo0 s ASN 410 CO 0.27 0.15 0.09 -1.61 -1.51 0.00 0.00 177.10 174.49 2wo0 s GLU 411 N -2.40 0.38 -0.04 -0.60 0.41 -0.65 -4.91 118.70 110.88 2wo0 s GLU 411 Ca 0.35 -0.36 0.07 0.00 -0.41 0.00 0.00 54.97 54.62 2wo0 s GLU 411 Cb -0.13 0.15 -0.02 0.00 -1.78 0.00 0.00 34.13 32.36 2wo0 s GLU 411 CO 0.24 -0.08 -0.25 0.99 -0.49 0.00 0.00 175.26 175.67 2wo0 s THR 412 N -1.17 2.06 0.34 3.63 2.01 -1.26 -0.26 115.64 121.00 2wo0 s THR 412 Ca -0.13 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 60.78 2wo0 s THR 412 Cb -0.07 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 2wo0 s THR 412 CO 0.01 0.58 0.45 0.27 -0.69 0.00 0.00 174.62 175.23 2wo0 s ILE 413 N -0.39 0.00 -0.12 1.82 -4.36 -0.92 -4.91 121.20 112.32 2wo0 s ILE 413 Ca 0.03 -1.65 -0.07 0.00 -0.26 0.00 0.00 60.65 58.70 2wo0 s ILE 413 Cb -0.12 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 2wo0 s ILE 413 CO 0.01 0.00 0.14 0.00 0.24 0.00 0.00 174.94 175.34 2wo0 s ALA 414 N -3.09 3.87 1.01 2.27 0.00 -1.26 0.28 121.76 124.84 2wo0 s ALA 414 Ca 0.32 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 2wo0 s ALA 414 Cb -0.00 -1.99 0.16 0.00 0.00 0.00 0.00 23.12 21.29 2wo0 s ALA 414 CO 0.21 0.59 0.90 -0.40 0.00 0.00 0.00 175.76 177.07 2wo0 n ASP 415 N 2.06 -0.07 0.16 0.00 5.68 0.16 -4.86 116.55 119.68 2wo0 n ASP 415 Ca -0.20 -1.30 0.13 0.00 -0.50 0.00 0.00 54.79 52.92 2wo0 n ASP 415 Cb 0.55 -0.70 0.49 0.00 -1.14 0.00 0.00 41.12 40.32 2wo0 n ASP 415 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2wo0 h TYR 416 N -1.59 0.00 -0.08 2.11 -0.00 -1.89 -1.18 116.97 114.34 2wo0 h TYR 416 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.43 2wo0 h TYR 416 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.55 2wo0 h TYR 416 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 2wo0 n THR 417 N -2.49 0.08 -0.39 -0.90 -2.24 -1.26 0.10 114.28 107.18 2wo0 n THR 417 Ca 0.03 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2wo0 n THR 417 Cb 0.31 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2wo0 n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wo0 n GLY 418 N 1.24 0.75 3.81 3.38 0.00 -0.45 -4.90 105.19 109.02 2wo0 n GLY 418 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2wo0 n GLY 418 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wo0 s VAL 419 N -2.36 4.99 0.64 1.61 1.01 -1.26 -4.61 120.40 120.42 2wo0 s VAL 419 Ca 0.00 0.95 -0.18 0.00 0.00 0.00 0.00 61.98 62.75 2wo0 s VAL 419 Cb 0.00 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2wo0 s VAL 419 CO 0.00 0.53 1.29 -2.84 0.00 0.00 0.00 175.10 174.07 2wo0 s PRO 420 N -0.76 2.59 -0.13 2.72 0.02 -1.26 -0.66 135.00 137.52 2wo0 s PRO 420 Ca 0.25 2.05 -0.04 0.00 0.02 0.00 0.00 61.00 63.29 2wo0 s PRO 420 Cb -0.17 -1.85 0.06 0.00 0.02 0.00 0.00 34.50 32.56 2wo0 s PRO 420 CO 0.14 -1.57 0.15 1.41 -0.33 0.00 0.00 177.00 176.80 2wo0 s MET 421 N -3.37 0.06 -0.38 5.54 1.75 0.14 -4.78 119.30 118.26 2wo0 s MET 421 Ca 0.82 0.31 -0.20 0.00 -1.25 0.00 0.00 55.69 55.37 2wo0 s MET 421 Cb -0.37 -0.88 0.01 0.00 2.84 0.00 0.00 34.83 36.42 2wo0 s MET 421 CO 0.39 -0.48 0.62 -2.00 -0.65 0.00 0.00 175.02 172.90 2wo0 s GLU 422 N 2.25 3.57 -0.45 4.11 2.12 -1.26 -2.15 118.70 126.88 2wo0 s GLU 422 Ca 0.04 -0.09 -0.24 0.00 0.36 0.00 0.00 54.97 55.04 2wo0 s GLU 422 Cb -0.14 -3.85 0.03 0.00 0.26 0.00 0.00 34.13 30.43 2wo0 s GLU 422 CO -0.08 -0.79 0.86 0.42 -0.54 0.00 0.00 175.26 175.13 2wo0 s ILE 423 N 2.69 4.56 0.33 -3.70 1.01 0.64 -4.94 121.20 121.79 2wo0 s ILE 423 Ca 0.23 0.64 -0.28 0.00 0.00 0.00 0.00 60.65 61.25 2wo0 s ILE 423 Cb -0.15 -4.37 -0.09 0.00 0.01 0.00 0.00 42.46 37.86 2wo0 s ILE 423 CO 0.16 -0.75 1.14 -2.16 0.00 0.00 0.00 174.94 173.33 2wo0 s PRO 424 N 3.52 4.41 -1.49 2.79 0.04 -1.26 -1.64 135.00 141.37 2wo0 s PRO 424 Ca 0.34 1.85 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 2wo0 s PRO 424 Cb -0.11 -2.99 0.06 0.00 0.04 0.00 0.00 34.50 31.50 2wo0 s PRO 424 CO 0.24 -0.01 0.63 0.54 0.04 0.00 0.00 177.00 178.44 2wo0 n ARG 425 N 0.74 -3.78 0.14 4.56 1.74 -0.99 -4.40 116.66 114.67 2wo0 n ARG 425 Ca 0.01 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2wo0 n ARG 425 Cb 0.45 -4.89 0.18 0.00 -1.02 0.00 0.00 32.46 27.18 2wo0 n ARG 425 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wo0 h ALA 426 N 0.88 0.91 -3.56 7.54 0.00 -0.38 0.21 119.26 124.86 2wo0 h ALA 426 Ca -0.61 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 53.55 2wo0 h ALA 426 Cb 1.38 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.80 2wo0 h ALA 426 CO 0.67 0.74 -0.68 0.42 0.00 0.00 0.00 179.25 180.39 2wo0 s ILE 427 N -3.50 0.01 -0.08 0.00 1.01 -1.20 -4.44 121.20 113.01 2wo0 s ILE 427 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 2wo0 s ILE 427 Cb 0.12 -0.08 -0.03 0.00 0.01 0.00 0.00 42.46 42.47 2wo0 s ILE 427 CO 0.75 -0.07 -0.04 0.00 0.00 0.00 0.00 174.94 175.58 2wo0 s ALA 428 N -0.19 3.08 -0.13 9.38 0.00 0.40 0.12 121.76 134.43 2wo0 s ALA 428 Ca -0.02 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.10 2wo0 s ALA 428 Cb -0.02 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2wo0 s ALA 428 CO -0.00 0.56 -0.21 0.08 0.00 0.00 0.00 175.76 176.19 2wo0 s VAL 429 N -0.79 2.23 -0.06 0.00 1.01 0.05 -0.37 120.40 122.47 2wo0 s VAL 429 Ca 0.12 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 2wo0 s VAL 429 Cb -0.11 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.43 2wo0 s VAL 429 CO 0.02 0.55 0.53 0.72 0.00 0.00 0.00 175.10 176.91 2wo0 s PHE 430 N 0.59 -0.48 0.15 5.22 -0.71 -0.31 -0.62 117.98 121.82 2wo0 s PHE 430 Ca -0.12 0.86 -0.00 0.00 -1.04 0.00 0.00 56.93 56.63 2wo0 s PHE 430 Cb -0.16 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.87 2wo0 s PHE 430 CO 0.03 -0.49 0.32 -2.00 -1.34 0.00 0.00 175.22 171.74 2wo0 s GLU 431 N -1.05 3.49 -0.10 1.99 2.12 -1.26 0.66 118.70 124.56 2wo0 s GLU 431 Ca -0.11 -0.40 -0.18 0.00 0.36 0.00 0.00 54.97 54.65 2wo0 s GLU 431 Cb -0.02 -2.92 0.04 0.00 0.26 0.00 0.00 34.13 31.49 2wo0 s GLU 431 CO 0.07 0.49 0.44 -0.98 -0.54 0.00 0.00 175.26 174.73 2wo0 s ARG 432 N -3.03 0.66 0.15 4.30 1.70 -0.22 -4.95 118.95 117.55 2wo0 s ARG 432 Ca 0.37 0.29 -0.31 0.00 -0.47 0.00 0.00 55.73 55.61 2wo0 s ARG 432 Cb -0.12 0.31 -0.08 0.00 -0.57 0.00 0.00 34.95 34.49 2wo0 s ARG 432 CO 0.28 -0.14 1.38 -0.47 -1.08 0.00 0.00 175.30 175.27 2wo0 s TYR 433 N -0.51 3.22 -0.34 5.89 5.04 -1.26 -1.38 117.35 128.01 2wo0 s TYR 433 Ca -0.06 1.00 0.12 0.00 -2.44 0.00 0.00 57.07 55.68 2wo0 s TYR 433 Cb -0.03 -3.69 0.45 0.00 0.35 0.00 0.00 41.96 39.04 2wo0 s TYR 433 CO 0.03 -2.34 1.09 0.00 -1.34 0.00 0.00 175.55 172.99 2wo0 n ALA 434 N 3.55 4.25 0.00 3.97 0.00 -0.03 -4.91 120.51 127.34 2wo0 n ALA 434 Ca 0.10 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.89 2wo0 n ALA 434 Cb 0.42 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2wo0 n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wo0 n GLY 435 N -0.46 -2.14 3.73 0.00 0.00 -1.26 -4.68 105.19 100.37 2wo0 n GLY 435 Ca 0.28 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 2wo0 n GLY 435 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wo0 s PRO 436 N -0.17 4.61 0.22 1.61 0.04 -1.26 -0.58 135.00 139.45 2wo0 s PRO 436 Ca 0.00 1.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.55 2wo0 s PRO 436 Cb 0.00 -3.36 0.19 0.00 0.04 0.00 0.00 34.50 31.37 2wo0 s PRO 436 CO 0.00 0.06 1.65 1.49 0.04 0.00 0.00 177.00 180.24 2wo0 h GLU 437 N 5.87 0.82 -2.08 4.56 4.57 0.15 -3.41 114.58 125.05 2wo0 h GLU 437 Ca -0.43 -0.30 0.03 0.00 -1.18 0.00 0.00 59.36 57.48 2wo0 h GLU 437 Cb 1.21 -0.05 -0.18 0.00 -0.16 0.00 0.00 28.75 29.57 2wo0 h GLU 437 CO 0.74 0.92 0.38 1.52 -1.18 0.00 0.00 179.01 181.39 2wo0 s TYR 438 N -4.72 -0.47 -0.12 0.92 -0.85 -1.22 -4.93 117.35 105.95 2wo0 s TYR 438 Ca -0.10 0.62 -0.11 0.00 -0.52 0.00 0.00 57.07 56.97 2wo0 s TYR 438 Cb 0.13 0.48 0.03 0.00 0.38 0.00 0.00 41.96 42.98 2wo0 s TYR 438 CO 0.83 -0.54 0.32 0.21 -1.52 0.00 0.00 175.55 174.85 2wo0 s LYS 439 N -2.03 0.36 -0.03 -3.49 2.20 -1.26 -2.33 119.74 113.16 2wo0 s LYS 439 Ca -0.02 0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 56.05 2wo0 s LYS 439 Cb -0.01 0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.49 2wo0 s LYS 439 CO -0.01 -0.06 0.06 -1.58 -0.36 0.00 0.00 175.35 173.40 2wo0 s HIS 440 N 0.34 0.02 -0.68 4.03 2.46 -0.61 -5.03 115.29 115.81 2wo0 s HIS 440 Ca -0.01 0.23 -0.07 0.00 0.47 0.00 0.00 55.06 55.68 2wo0 s HIS 440 Cb -0.03 -0.32 0.18 0.00 -0.13 0.00 0.00 32.58 32.27 2wo0 s HIS 440 CO -0.01 -0.14 0.54 -1.14 -2.47 0.00 0.00 174.74 171.52 2wo0 s GLN 441 N 1.58 2.91 0.30 2.88 2.00 -1.26 -1.93 119.66 126.14 2wo0 s GLN 441 Ca -0.03 -2.47 -0.29 0.00 -2.00 0.00 0.00 55.36 50.57 2wo0 s GLN 441 Cb -0.12 -3.98 -0.10 0.00 0.80 0.00 0.00 33.01 29.61 2wo0 s GLN 441 CO -0.03 -1.21 1.26 -2.00 -0.50 0.00 0.00 175.29 172.80 2wo0 s GLU 442 N 0.09 4.43 0.28 1.67 2.56 -1.26 -4.91 118.70 121.56 2wo0 s GLU 442 Ca 0.17 2.10 -0.29 0.00 0.00 0.00 0.00 54.97 56.94 2wo0 s GLU 442 Cb -0.17 -3.12 -0.14 0.00 2.00 0.00 0.00 34.13 32.71 2wo0 s GLU 442 CO -0.05 -0.10 1.17 -0.12 -0.56 0.00 0.00 175.26 175.60 2wo0 n MET 443 N 1.15 1.67 -1.07 4.30 0.00 -1.26 -1.00 117.12 120.91 2wo0 n MET 443 Ca 0.01 0.59 -0.02 0.00 -0.00 0.00 0.00 57.70 58.27 2wo0 n MET 443 Cb 0.43 -2.08 -0.01 0.00 0.00 0.00 0.00 33.22 31.56 2wo0 n MET 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wo0 n GLY 444 N 1.34 0.22 3.42 -5.12 0.00 -1.26 -4.95 105.19 98.85 2wo0 n GLY 444 Ca 0.09 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2wo0 n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wo0 s GLN 445 N -2.15 1.54 0.33 1.61 -1.52 -0.17 -5.11 119.66 114.19 2wo0 s GLN 445 Ca 0.00 -1.68 -0.29 0.00 -1.95 0.00 0.00 55.36 51.44 2wo0 s GLN 445 Cb 0.00 -1.58 -0.11 0.00 -0.22 0.00 0.00 33.01 31.10 2wo0 s GLN 445 CO 0.00 0.29 1.56 -2.30 -0.25 0.00 0.00 175.29 174.59 2wo0 n PRO 446 N -0.41 2.71 -0.89 2.91 -0.02 -1.26 -4.59 135.00 133.45 2wo0 n PRO 446 Ca -0.07 0.96 -0.32 0.00 -2.02 0.00 0.00 63.50 62.05 2wo0 n PRO 446 Cb 0.60 -2.72 0.15 0.00 -0.02 0.00 0.00 33.50 31.50 2wo0 n PRO 446 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2wo0 s ASN 447 N 0.22 3.31 -0.08 2.55 2.47 -1.26 -4.62 114.94 117.53 2wo0 s ASN 447 Ca 0.59 2.20 -0.00 0.00 0.42 0.00 0.00 52.86 56.06 2wo0 s ASN 447 Cb -0.48 -2.57 0.02 0.00 -1.45 0.00 0.00 41.25 36.77 2wo0 s ASN 447 CO 0.55 -2.85 -0.04 -0.69 -3.72 0.00 0.00 177.10 170.36 2wo0 s VAL 448 N -2.54 0.64 -0.07 -5.21 1.01 -0.81 -5.03 120.40 108.39 2wo0 s VAL 448 Ca 0.68 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.51 2wo0 s VAL 448 Cb -0.24 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2wo0 s VAL 448 CO 0.55 0.29 0.19 -0.44 0.00 0.00 0.00 175.10 175.70 2wo0 s SER 449 N 1.61 -0.20 0.07 3.32 0.01 -1.26 -1.58 113.70 115.67 2wo0 s SER 449 Ca 0.01 0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.70 2wo0 s SER 449 Cb -0.13 0.39 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 2wo0 s SER 449 CO -0.05 -0.08 -0.15 0.42 0.41 0.00 0.00 173.24 173.79 2wo0 s THR 450 N 0.06 1.21 0.31 1.44 -4.23 -0.98 -5.01 115.64 108.43 2wo0 s THR 450 Ca -0.00 -1.25 -0.29 0.00 -1.18 0.00 0.00 61.69 58.96 2wo0 s THR 450 Cb -0.02 -1.13 -0.10 0.00 1.34 0.00 0.00 72.50 72.59 2wo0 s THR 450 CO 0.00 -0.13 1.24 -1.61 -0.54 0.00 0.00 174.62 173.58 2wo0 s GLU 451 N -1.58 4.45 -0.03 3.99 2.02 -1.26 0.16 118.70 126.45 2wo0 s GLU 451 Ca 0.00 2.07 -0.21 0.00 0.02 0.00 0.00 54.97 56.86 2wo0 s GLU 451 Cb -0.09 -3.11 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 2wo0 s GLU 451 CO 0.02 -0.06 0.62 0.50 0.02 0.00 0.00 175.26 176.36 2wo0 s ARG 452 N -1.61 4.36 0.11 1.61 3.52 0.25 -4.11 118.95 123.09 2wo0 s ARG 452 Ca 0.48 0.75 0.10 0.00 -0.13 0.00 0.00 55.73 56.93 2wo0 s ARG 452 Cb -0.37 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 2wo0 s ARG 452 CO 0.48 0.25 -0.22 1.03 -0.81 0.00 0.00 175.30 176.03 2wo0 s ARG 453 N 0.20 1.64 0.06 5.12 1.81 -1.26 -0.85 118.95 125.66 2wo0 s ARG 453 Ca 0.33 -1.24 0.05 0.00 -1.72 0.00 0.00 55.73 53.15 2wo0 s ARG 453 Cb -0.18 -2.02 -0.03 0.00 -0.45 0.00 0.00 34.95 32.28 2wo0 s ARG 453 CO 0.17 0.47 -0.14 -1.21 -0.68 0.00 0.00 175.30 173.91 2wo0 s GLU 454 N -2.02 0.87 -0.19 3.54 2.02 -0.48 -3.51 118.70 118.93 2wo0 s GLU 454 Ca 0.16 -0.88 -0.08 0.00 0.02 0.00 0.00 54.97 54.18 2wo0 s GLU 454 Cb -0.10 -0.88 -0.04 0.00 0.10 0.00 0.00 34.13 33.20 2wo0 s GLU 454 CO 0.08 0.20 0.08 -1.17 0.02 0.00 0.00 175.26 174.47 2wo0 s LEU 455 N -1.51 3.88 -0.03 1.80 2.96 -0.77 -1.06 118.68 123.94 2wo0 s LEU 455 Ca -0.00 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.07 2wo0 s LEU 455 Cb -0.09 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 2wo0 s LEU 455 CO 0.02 0.16 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.28 2wo0 s VAL 456 N 0.46 2.17 -0.28 1.68 1.01 0.21 -0.47 120.40 125.17 2wo0 s VAL 456 Ca 0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 2wo0 s VAL 456 Cb -0.12 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.51 2wo0 s VAL 456 CO 0.00 0.58 0.03 -0.69 0.00 0.00 0.00 175.10 175.02 2wo0 s VAL 457 N -0.50 3.57 -0.14 2.92 1.01 0.14 -1.16 120.40 126.25 2wo0 s VAL 457 Ca 0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2wo0 s VAL 457 Cb -0.11 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2wo0 s VAL 457 CO 0.00 0.10 -0.06 -0.60 0.00 0.00 0.00 175.10 174.53 2wo0 s ARG 458 N 1.43 3.47 -0.02 2.72 3.52 0.50 -0.70 118.95 129.87 2wo0 s ARG 458 Ca 0.01 -0.56 0.01 0.00 -0.13 0.00 0.00 55.73 55.06 2wo0 s ARG 458 Cb -0.17 -2.80 0.01 0.00 -1.56 0.00 0.00 34.95 30.43 2wo0 s ARG 458 CO 0.00 0.30 -0.03 -0.46 -0.81 0.00 0.00 175.30 174.30 2wo0 s TRP 459 N 0.18 0.44 -0.11 5.12 -0.00 0.16 -0.45 118.94 124.27 2wo0 s TRP 459 Ca -0.03 -0.08 0.03 0.00 -0.00 0.00 0.00 56.10 56.02 2wo0 s TRP 459 Cb -0.14 -0.38 -0.00 0.00 -0.00 0.00 0.00 33.47 32.95 2wo0 s TRP 459 CO 0.03 -0.08 -0.22 0.42 -0.00 0.00 0.00 176.95 177.11 2wo0 s ILE 460 N 0.44 2.22 0.05 5.86 1.01 -1.26 -0.08 121.20 129.43 2wo0 s ILE 460 Ca -0.05 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.72 2wo0 s ILE 460 Cb -0.08 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 2wo0 s ILE 460 CO -0.01 0.55 -0.19 -0.55 0.00 0.00 0.00 174.94 174.74 2wo0 s SER 461 N 0.46 2.28 -0.13 3.58 0.15 -0.60 0.52 113.70 119.95 2wo0 s SER 461 Ca -0.15 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 55.99 2wo0 s SER 461 Cb -0.17 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 63.98 2wo0 s SER 461 CO 0.06 0.12 -0.15 -0.89 1.20 0.00 0.00 173.24 173.58 2wo0 s THR 462 N -0.85 1.57 -0.20 6.45 2.01 -0.78 -0.29 115.64 123.55 2wo0 s THR 462 Ca 0.06 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.40 2wo0 s THR 462 Cb -0.09 -1.46 0.05 0.00 0.01 0.00 0.00 72.50 71.02 2wo0 s THR 462 CO 0.02 0.46 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.67 2wo0 s VAL 463 N 1.27 1.24 0.00 3.82 1.01 -1.26 -4.84 120.40 121.64 2wo0 s VAL 463 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2wo0 s VAL 463 Cb -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2wo0 s VAL 463 CO -0.07 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.66 2wo0 n GLY 464 N 4.81 3.81 1.34 4.51 0.00 -1.26 -4.80 105.19 113.60 2wo0 n GLY 464 Ca -0.12 0.21 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 2wo0 n GLY 464 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wo0 n ASN 465 N 9.42 3.15 -3.64 1.61 6.94 -1.26 -5.02 115.26 126.45 2wo0 n ASN 465 Ca 0.00 -2.53 -0.08 0.00 -0.02 0.00 0.00 54.58 51.95 2wo0 n ASN 465 Cb 0.00 -0.61 -0.07 0.00 -2.36 0.00 0.00 39.78 36.74 2wo0 n ASN 465 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2wo0 s ASP 467 N 0.04 -0.59 -0.03 0.53 1.11 0.18 -0.90 116.67 117.00 2wo0 s ASP 467 Ca 0.21 1.06 0.07 0.00 0.18 0.00 0.00 52.55 54.07 2wo0 s ASP 467 Cb 0.17 1.14 -0.02 0.00 1.07 0.00 0.00 42.92 45.29 2wo0 s ASP 467 CO 0.05 -0.18 -0.24 -0.31 1.18 0.00 0.00 175.17 175.67 2wo0 s TYR 468 N 0.72 2.19 -0.12 4.23 2.02 0.60 -1.38 117.35 125.61 2wo0 s TYR 468 Ca -0.02 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2wo0 s TYR 468 Cb -0.05 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 2wo0 s TYR 468 CO -0.09 -0.07 -0.07 0.42 -1.57 0.00 0.00 175.55 174.17 2wo0 s ILE 469 N -0.49 3.60 -0.07 2.71 1.01 0.44 -1.56 121.20 126.85 2wo0 s ILE 469 Ca 0.07 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2wo0 s ILE 469 Cb -0.10 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 2wo0 s ILE 469 CO -0.00 0.54 -0.20 -0.36 0.00 0.00 0.00 174.94 174.91 2wo0 s PHE 470 N -0.04 2.12 -0.16 3.97 0.40 0.88 0.06 117.98 125.21 2wo0 s PHE 470 Ca -0.00 -0.75 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 2wo0 s PHE 470 Cb -0.13 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 41.98 2wo0 s PHE 470 CO 0.03 -0.29 -0.19 -0.51 0.70 0.00 0.00 175.22 174.97 2wo0 s ASP 471 N 0.22 3.32 -0.23 1.36 1.01 -0.61 -0.67 116.67 121.08 2wo0 s ASP 471 Ca -0.11 -0.58 -0.07 0.00 0.71 0.00 0.00 52.55 52.50 2wo0 s ASP 471 Cb -0.15 -1.50 -0.03 0.00 1.01 0.00 0.00 42.92 42.24 2wo0 s ASP 471 CO 0.05 0.05 0.06 0.26 0.21 0.00 0.00 175.17 175.80 2wo0 s TRP 472 N 1.03 3.12 -0.21 4.23 0.52 0.13 -1.57 118.94 126.20 2wo0 s TRP 472 Ca -0.01 -0.26 0.01 0.00 0.02 0.00 0.00 56.10 55.85 2wo0 s TRP 472 Cb -0.14 -2.18 0.04 0.00 -1.15 0.00 0.00 33.47 30.04 2wo0 s TRP 472 CO -0.06 -0.19 -0.10 0.42 0.02 0.00 0.00 176.95 177.04 2wo0 s ILE 473 N 1.20 1.70 -0.29 2.03 1.01 -0.46 0.27 121.20 126.66 2wo0 s ILE 473 Ca 0.04 -1.08 -0.14 0.00 0.00 0.00 0.00 60.65 59.48 2wo0 s ILE 473 Cb -0.14 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2wo0 s ILE 473 CO 0.03 0.15 0.33 -0.36 0.00 0.00 0.00 174.94 175.09 2wo0 s PHE 474 N 1.37 3.23 0.22 3.97 0.40 0.38 -1.16 117.98 126.39 2wo0 s PHE 474 Ca -0.02 0.25 -0.23 0.00 -0.60 0.00 0.00 56.93 56.33 2wo0 s PHE 474 Cb -0.17 -2.56 -0.09 0.00 0.51 0.00 0.00 43.02 40.72 2wo0 s PHE 474 CO -0.08 -0.26 0.79 -1.01 0.70 0.00 0.00 175.22 175.36 2wo0 s HIS 475 N 1.99 3.76 0.36 0.36 3.76 0.78 -1.84 115.29 124.45 2wo0 s HIS 475 Ca 0.13 1.57 0.12 0.00 -0.15 0.00 0.00 55.06 56.73 2wo0 s HIS 475 Cb -0.16 -2.74 0.94 0.00 1.11 0.00 0.00 32.58 31.72 2wo0 s HIS 475 CO 0.11 0.38 1.79 0.93 -0.85 0.00 0.00 174.74 177.09 2wo0 h GLU 476 N 3.69 0.55 0.00 1.40 5.08 -1.86 -1.55 114.58 121.89 2wo0 h GLU 476 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2wo0 h GLU 476 Cb 1.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2wo0 h GLU 476 CO 0.65 0.36 0.00 0.27 -1.00 0.00 0.00 179.01 179.30 2wo0 n ASN 477 N -4.68 0.00 0.00 1.42 0.23 -1.26 -4.85 115.26 106.12 2wo0 n ASN 477 Ca 0.23 -1.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 2wo0 n ASN 477 Cb 0.70 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.40 2wo0 n ASN 477 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wo0 n GLY 478 N 0.88 2.32 3.79 4.83 0.00 -0.58 -4.74 105.19 111.69 2wo0 n GLY 478 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2wo0 n GLY 478 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wo0 s THR 479 N -2.40 3.60 -0.15 2.61 2.01 -1.26 -4.42 115.64 115.62 2wo0 s THR 479 Ca 0.00 0.90 -0.00 0.00 0.31 0.00 0.00 61.69 62.90 2wo0 s THR 479 Cb 0.00 -3.36 0.04 0.00 0.01 0.00 0.00 72.50 69.18 2wo0 s THR 479 CO 0.00 -0.31 -0.07 -0.63 -0.69 0.00 0.00 174.62 172.93 2wo0 s ILE 480 N -2.10 1.14 0.25 1.82 1.01 -0.51 -0.16 121.20 122.66 2wo0 s ILE 480 Ca 0.67 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 2wo0 s ILE 480 Cb -0.18 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 2wo0 s ILE 480 CO 0.28 0.23 0.48 -0.83 0.00 0.00 0.00 174.94 175.10 2wo0 s GLY 481 N 1.64 1.80 -0.08 6.18 0.00 -0.31 -0.71 107.32 115.84 2wo0 s GLY 481 Ca 0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 44.72 44.02 2wo0 s GLY 481 CO -0.08 -0.62 0.04 -0.42 0.00 0.00 0.00 173.10 172.02 2wo0 s ILE 482 N -2.00 0.14 0.03 0.90 1.01 -0.76 -1.36 121.20 119.16 2wo0 s ILE 482 Ca 0.41 0.14 0.06 0.00 0.00 0.00 0.00 60.65 61.27 2wo0 s ILE 482 Cb -0.11 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 2wo0 s ILE 482 CO 0.30 0.11 -0.17 -1.81 0.00 0.00 0.00 174.94 173.37 2wo0 s ASP 483 N 2.06 3.86 -0.10 3.58 1.11 -0.61 -1.33 116.67 125.25 2wo0 s ASP 483 Ca 0.04 -0.38 0.03 0.00 0.18 0.00 0.00 52.55 52.42 2wo0 s ASP 483 Cb -0.13 -0.66 0.01 0.00 1.07 0.00 0.00 42.92 43.20 2wo0 s ASP 483 CO -0.05 0.27 -0.19 0.00 1.18 0.00 0.00 175.17 176.38 2wo0 s ALA 484 N -0.90 1.83 0.04 5.23 0.00 -0.92 -1.58 121.76 125.46 2wo0 s ALA 484 Ca 0.14 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.38 2wo0 s ALA 484 Cb -0.11 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2wo0 s ALA 484 CO 0.05 0.13 -0.10 0.20 0.00 0.00 0.00 175.76 176.04 2wo0 s GLY 485 N 0.61 1.73 -0.07 0.00 0.00 0.11 -1.55 107.32 108.15 2wo0 s GLY 485 Ca -0.14 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.48 2wo0 s GLY 485 CO 0.04 -1.03 -0.15 0.00 0.00 0.00 0.00 173.10 171.96 2wo0 s ALA 486 N -1.05 1.50 0.00 3.20 0.00 -0.30 -0.42 121.76 124.69 2wo0 s ALA 486 Ca 0.18 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2wo0 s ALA 486 Cb -0.11 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.38 2wo0 s ALA 486 CO 0.09 0.16 0.00 -2.37 0.00 0.00 0.00 175.76 173.64 2wo0 n THR 487 N 3.74 0.00 -0.22 0.00 5.66 -0.48 -1.13 114.28 121.84 2wo0 n THR 487 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2wo0 n THR 487 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2wo0 n THR 487 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wo0 n GLY 488 N 0.00 0.38 3.21 1.09 0.00 -1.24 -0.65 105.19 107.98 2wo0 n GLY 488 Ca 0.00 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 2wo0 n GLY 488 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wo0 s ILE 489 N 0.00 2.13 0.40 -0.61 -1.09 -0.08 0.62 121.20 122.57 2wo0 s ILE 489 Ca 0.00 -0.98 -0.25 0.00 -2.23 0.00 0.00 60.65 57.19 2wo0 s ILE 489 Cb 0.00 -1.83 -0.08 0.00 -1.58 0.00 0.00 42.46 38.96 2wo0 s ILE 489 CO 0.00 0.55 1.20 -1.61 -1.23 0.00 0.00 174.94 173.85 2wo0 s GLU 490 N 0.58 4.02 -0.25 2.79 2.02 -1.26 -4.69 118.70 121.91 2wo0 s GLU 490 Ca -0.13 1.91 -0.29 0.00 0.02 0.00 0.00 54.97 56.48 2wo0 s GLU 490 Cb -0.17 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.36 2wo0 s GLU 490 CO 0.04 -0.37 1.58 0.00 0.02 0.00 0.00 175.26 176.53 2wo0 s ALA 491 N -1.38 3.24 0.25 5.21 0.00 -1.26 -4.93 121.76 122.89 2wo0 s ALA 491 Ca 0.57 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.99 2wo0 s ALA 491 Cb -0.32 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 18.90 2wo0 s ALA 491 CO 0.41 -2.00 0.08 0.14 0.00 0.00 0.00 175.76 174.38 2wo0 s VAL 492 N 5.24 3.87 -0.15 0.00 -7.23 -1.26 -3.71 120.40 117.16 2wo0 s VAL 492 Ca 0.70 -1.67 -0.03 0.00 -1.81 0.00 0.00 61.98 59.17 2wo0 s VAL 492 Cb -0.23 -3.07 -0.02 0.00 0.56 0.00 0.00 36.38 33.62 2wo0 s VAL 492 CO 0.29 -0.34 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.92 2wo0 s LYS 493 N -3.68 3.59 0.09 4.82 2.20 0.49 -4.87 119.74 122.38 2wo0 s LYS 493 Ca 0.32 -0.57 -0.31 0.00 -0.36 0.00 0.00 55.97 55.05 2wo0 s LYS 493 Cb -0.07 -2.84 -0.07 0.00 -1.51 0.00 0.00 37.83 33.34 2wo0 s LYS 493 CO 0.22 0.22 1.29 0.20 -0.36 0.00 0.00 175.35 176.92 2wo0 s GLY 494 N 0.38 2.21 0.10 5.54 0.00 -1.26 -1.85 107.32 112.45 2wo0 s GLY 494 Ca -0.06 0.99 0.01 0.00 0.00 0.00 0.00 44.72 45.66 2wo0 s GLY 494 CO 0.04 2.18 -0.03 -1.34 0.00 0.00 0.00 173.10 173.95 2wo0 s VAL 495 N 1.01 0.48 0.22 1.40 -7.23 -0.54 -4.83 120.40 110.91 2wo0 s VAL 495 Ca 0.61 -1.91 0.06 0.00 -1.81 0.00 0.00 61.98 58.93 2wo0 s VAL 495 Cb -0.33 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.76 2wo0 s VAL 495 CO 0.30 -0.78 1.50 0.11 -0.31 0.00 0.00 175.10 175.91 2wo0 h LYS 496 N 2.96 0.14 -6.75 4.82 1.57 -1.91 -3.39 116.57 114.01 2wo0 h LYS 496 Ca -0.35 -0.12 -0.52 0.00 -1.87 0.00 0.00 60.65 57.78 2wo0 h LYS 496 Cb 1.17 0.03 0.04 0.00 0.08 0.00 0.00 32.23 33.55 2wo0 h LYS 496 CO 0.64 0.80 0.64 0.00 -0.57 0.00 0.00 179.45 180.96 2wo0 s ALA 497 N -3.47 3.52 -0.23 3.86 0.00 -1.26 -4.78 121.76 119.39 2wo0 s ALA 497 Ca -0.03 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.15 2wo0 s ALA 497 Cb 0.11 -3.47 -0.19 0.00 0.00 0.00 0.00 23.12 19.57 2wo0 s ALA 497 CO 0.80 -0.55 -0.12 1.63 0.00 0.00 0.00 175.76 177.52 2wo0 n LYS 498 N 2.00 0.69 -4.27 0.00 5.02 -1.26 -0.97 118.16 119.37 2wo0 n LYS 498 Ca 0.04 0.09 -0.16 0.00 -2.02 0.00 0.00 58.31 56.26 2wo0 n LYS 498 Cb 0.42 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 2wo0 n LYS 498 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wo0 s THR 499 N -2.49 0.23 -1.02 -0.18 -4.23 -1.26 -4.29 115.64 102.40 2wo0 s THR 499 Ca -0.25 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.34 2wo0 s THR 499 Cb 0.08 -2.54 0.07 0.00 1.34 0.00 0.00 72.50 71.45 2wo0 s THR 499 CO 0.65 0.00 1.26 0.23 -0.54 0.00 0.00 174.62 176.22 2wo0 n MET 500 N -0.44 0.01 0.08 3.99 2.81 -1.26 -1.74 117.12 120.57 2wo0 n MET 500 Ca 0.02 0.35 -0.04 0.00 -1.81 0.00 0.00 57.70 56.22 2wo0 n MET 500 Cb 0.65 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.59 2wo0 n MET 500 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2wo0 h HIS 501 N 0.00 0.00 -4.23 2.03 3.86 -1.99 -3.45 115.15 111.36 2wo0 h HIS 501 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2wo0 h HIS 501 Cb 0.14 0.00 0.18 0.00 1.06 0.00 0.00 27.41 28.79 2wo0 h HIS 501 CO 0.00 0.85 0.31 -0.51 0.86 0.00 0.00 177.93 179.43 2wo0 s ASP 502 N -6.64 3.49 0.13 2.45 1.01 -0.71 -4.92 116.67 111.47 2wo0 s ASP 502 Ca 0.02 2.27 -0.16 0.00 0.71 0.00 0.00 52.55 55.39 2wo0 s ASP 502 Cb 0.09 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 2wo0 s ASP 502 CO 0.80 -2.73 1.62 -0.33 0.21 0.00 0.00 175.17 174.74 2wo0 h GLU 503 N -1.17 0.63 0.00 8.23 5.08 -1.91 -2.23 114.58 123.21 2wo0 h GLU 503 Ca -0.45 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2wo0 h GLU 503 Cb 1.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2wo0 h GLU 503 CO 0.45 0.66 0.00 0.25 -1.00 0.00 0.00 179.01 179.38 2wo0 n THR 504 N -4.56 0.95 -0.29 1.13 -2.24 -1.26 -4.12 114.28 103.89 2wo0 n THR 504 Ca -0.01 0.27 0.10 0.00 -2.27 0.00 0.00 64.05 62.15 2wo0 n THR 504 Cb 0.21 -1.14 0.25 0.00 -2.10 0.00 0.00 70.33 67.54 2wo0 n THR 504 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wo0 h ALA 505 N 2.33 1.11 -0.22 6.98 0.00 -1.68 0.24 119.26 128.02 2wo0 h ALA 505 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2wo0 h ALA 505 Cb 0.29 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2wo0 h ALA 505 CO 0.00 -0.45 -0.41 -0.22 0.00 0.00 0.00 179.25 178.17 2wo0 h LYS 506 N 0.17 0.66 -0.49 0.00 3.64 -1.80 -0.24 116.57 118.50 2wo0 h LYS 506 Ca 0.51 -0.42 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 2wo0 h LYS 506 Cb 0.98 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2wo0 h LYS 506 CO -0.67 1.04 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.01 2wo0 h ASP 507 N 0.36 0.88 -0.01 4.20 3.32 -1.64 -2.67 116.42 120.86 2wo0 h ASP 507 Ca 0.01 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2wo0 h ASP 507 Cb 1.01 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 2wo0 h ASP 507 CO 0.09 1.00 0.01 0.44 -1.72 0.00 0.00 179.24 179.06 2wo0 h ASP 508 N 0.80 0.00 -0.23 6.45 3.32 -0.09 -2.47 116.42 124.20 2wo0 h ASP 508 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2wo0 h ASP 508 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2wo0 h ASP 508 CO 0.04 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.91 2wo0 n THR 509 N -4.09 1.62 0.20 0.35 -2.24 -0.14 -4.57 114.28 105.41 2wo0 n THR 509 Ca -0.03 -1.50 0.06 0.00 -2.27 0.00 0.00 64.05 60.31 2wo0 n THR 509 Cb 0.09 0.11 0.55 0.00 -2.10 0.00 0.00 70.33 68.99 2wo0 n THR 509 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2wo0 h ARG 510 N 1.46 0.10 -0.01 -0.78 2.43 -1.12 -2.92 114.38 113.54 2wo0 h ARG 510 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2wo0 h ARG 510 Cb 1.02 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2wo0 h ARG 510 CO 0.09 0.13 0.00 0.66 -1.51 0.00 0.00 179.97 179.34 2wo0 n TYR 511 N -4.45 0.03 0.00 2.20 4.01 -1.26 -5.07 117.16 112.61 2wo0 n TYR 511 Ca -0.02 -0.72 0.00 0.00 -0.16 0.00 0.00 57.90 57.01 2wo0 n TYR 511 Cb 0.14 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2wo0 n TYR 511 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wo0 n GLY 512 N -0.87 1.23 3.75 2.72 0.00 -1.11 -1.40 105.19 109.51 2wo0 n GLY 512 Ca 0.07 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2wo0 n GLY 512 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wo0 s THR 513 N -2.00 4.28 -0.42 2.61 2.01 -1.24 -4.23 115.64 116.65 2wo0 s THR 513 Ca 0.00 2.00 -0.28 0.00 0.31 0.00 0.00 61.69 63.71 2wo0 s THR 513 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.23 2wo0 s THR 513 CO 0.00 0.44 1.54 -0.22 -0.69 0.00 0.00 174.62 175.69 2wo0 s LEU 514 N -0.77 3.53 -0.04 4.42 2.96 -1.26 -1.42 118.68 126.09 2wo0 s LEU 514 Ca 0.42 0.86 0.15 0.00 -0.22 0.00 0.00 54.13 55.34 2wo0 s LEU 514 Cb -0.24 -3.42 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 2wo0 s LEU 514 CO 0.30 -1.59 0.29 2.30 -1.32 0.00 0.00 176.35 176.33 2wo0 n ILE 515 N 7.15 0.16 -4.12 6.68 -5.35 -0.32 -4.84 119.36 118.73 2wo0 n ILE 515 Ca 0.18 -0.39 -0.11 0.00 -0.27 0.00 0.00 62.75 62.15 2wo0 n ILE 515 Cb 0.48 0.02 -0.08 0.00 -1.74 0.00 0.00 39.64 38.32 2wo0 n ILE 515 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wo0 s ASP 516 N -3.93 0.17 0.01 7.28 -1.08 -1.04 -4.61 116.67 113.46 2wo0 s ASP 516 Ca -0.06 -1.23 -0.34 0.00 -0.52 0.00 0.00 52.55 50.39 2wo0 s ASP 516 Cb 0.09 0.48 -0.13 0.00 -1.46 0.00 0.00 42.92 41.90 2wo0 s ASP 516 CO 0.63 -0.99 1.72 1.41 0.52 0.00 0.00 175.17 178.46 2wo0 n HIS 517 N -0.35 2.25 -1.06 -5.34 8.25 -1.26 -1.36 115.22 116.35 2wo0 n HIS 517 Ca 0.01 0.17 -0.02 0.00 -0.26 0.00 0.00 57.72 57.61 2wo0 n HIS 517 Cb 0.64 -2.59 -0.01 0.00 1.12 0.00 0.00 29.99 29.15 2wo0 n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wo0 n ASN 518 N 5.04 -4.75 -3.88 0.41 4.13 -0.14 -4.94 115.26 111.13 2wo0 n ASN 518 Ca 0.20 0.05 -0.24 0.00 1.68 0.00 0.00 54.58 56.27 2wo0 n ASN 518 Cb 0.28 -2.43 -0.17 0.00 -1.54 0.00 0.00 39.78 35.92 2wo0 n ASN 518 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wo0 s ILE 519 N -1.58 0.75 -0.14 2.41 1.01 -0.47 -1.47 121.20 121.72 2wo0 s ILE 519 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2wo0 s ILE 519 Cb 0.00 -0.80 -0.00 0.00 0.01 0.00 0.00 42.46 41.67 2wo0 s ILE 519 CO 0.00 0.31 -0.16 -0.69 0.00 0.00 0.00 174.94 174.39 2wo0 s VAL 520 N 1.48 2.62 -0.94 2.92 1.01 -0.77 -1.17 120.40 125.55 2wo0 s VAL 520 Ca -0.01 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 2wo0 s VAL 520 Cb -0.13 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2wo0 s VAL 520 CO -0.04 0.52 1.55 -0.83 0.00 0.00 0.00 175.10 176.31 2wo0 s GLY 521 N 0.67 0.92 0.22 4.51 0.00 -0.51 -0.38 107.32 112.75 2wo0 s GLY 521 Ca -0.08 -1.89 -0.32 0.00 0.00 0.00 0.00 44.72 42.43 2wo0 s GLY 521 CO 0.02 2.89 1.39 2.41 0.00 0.00 0.00 173.10 179.82 2wo0 n THR 522 N 7.05 0.86 -2.08 0.90 -1.04 -1.24 -3.66 114.28 115.06 2wo0 n THR 522 Ca 0.30 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.05 61.69 2wo0 n THR 522 Cb 0.50 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.60 2wo0 n THR 522 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2wo0 s THR 523 N 0.01 2.66 0.11 12.58 2.01 -0.49 -4.90 115.64 127.61 2wo0 s THR 523 Ca 0.70 0.63 -0.03 0.00 0.31 0.00 0.00 61.69 63.30 2wo0 s THR 523 Cb -0.68 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 68.45 2wo0 s THR 523 CO 0.49 0.13 0.19 0.00 -0.69 0.00 0.00 174.62 174.74 2wo0 n HIS 524 N 0.50 -1.16 -4.43 4.92 1.44 -1.18 -1.76 115.22 113.55 2wo0 n HIS 524 Ca 0.02 -0.57 -0.21 0.00 -2.01 0.00 0.00 57.72 54.95 2wo0 n HIS 524 Cb 0.42 0.22 -0.10 0.00 0.12 0.00 0.00 29.99 30.66 2wo0 n HIS 524 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2wo0 s GLN 525 N -2.09 1.54 -0.16 -1.40 -0.21 -0.80 -0.54 119.66 115.99 2wo0 s GLN 525 Ca 0.06 -1.75 0.01 0.00 0.02 0.00 0.00 55.36 53.69 2wo0 s GLN 525 Cb -0.01 -1.30 0.02 0.00 1.00 0.00 0.00 33.01 32.72 2wo0 s GLN 525 CO 0.04 0.13 -0.16 -1.01 -2.12 0.00 0.00 175.29 172.17 2wo0 s HIS 526 N -2.88 2.43 -0.22 0.91 3.76 -0.59 -3.72 115.29 114.99 2wo0 s HIS 526 Ca 0.28 -1.41 -0.01 0.00 -0.15 0.00 0.00 55.06 53.77 2wo0 s HIS 526 Cb 0.01 -1.73 0.06 0.00 1.11 0.00 0.00 32.58 32.03 2wo0 s HIS 526 CO 0.12 -0.73 -0.02 0.42 -0.85 0.00 0.00 174.74 173.68 2wo0 s ILE 527 N 1.40 1.10 -0.02 0.60 1.01 -0.38 -0.53 121.20 124.39 2wo0 s ILE 527 Ca 0.05 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 2wo0 s ILE 527 Cb -0.13 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 2wo0 s ILE 527 CO -0.12 -0.14 0.06 -0.31 0.00 0.00 0.00 174.94 174.43 2wo0 s TYR 528 N 1.59 3.26 -0.07 3.97 2.02 -0.05 -1.07 117.35 127.01 2wo0 s TYR 528 Ca -0.04 0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.88 2wo0 s TYR 528 Cb -0.18 -1.75 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2wo0 s TYR 528 CO -0.07 0.54 -0.09 1.21 -1.57 0.00 0.00 175.55 175.57 2wo0 s ASN 529 N -1.56 1.67 -0.20 2.29 3.84 0.14 -1.51 114.94 119.60 2wo0 s ASN 529 Ca 0.21 -0.26 -0.06 0.00 0.21 0.00 0.00 52.86 52.96 2wo0 s ASN 529 Cb -0.12 -0.74 -0.03 0.00 -0.55 0.00 0.00 41.25 39.81 2wo0 s ASN 529 CO 0.11 -0.02 0.03 -0.36 -2.79 0.00 0.00 177.10 174.07 2wo0 s PHE 530 N 0.94 3.10 -0.32 0.43 0.08 -0.02 0.42 117.98 122.61 2wo0 s PHE 530 Ca -0.10 -0.28 -0.19 0.00 0.12 0.00 0.00 56.93 56.48 2wo0 s PHE 530 Cb -0.15 -2.10 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 2wo0 s PHE 530 CO 0.01 -0.13 0.57 0.50 -0.10 0.00 0.00 175.22 176.07 2wo0 s ARG 531 N 0.89 3.79 -0.39 0.44 3.52 -0.41 -0.80 118.95 125.98 2wo0 s ARG 531 Ca 0.02 0.10 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 2wo0 s ARG 531 Cb -0.14 -3.76 0.12 0.00 -1.56 0.00 0.00 34.95 29.61 2wo0 s ARG 531 CO 0.02 -0.60 0.19 -0.51 -0.81 0.00 0.00 175.30 173.59 2wo0 s LEU 532 N 2.52 2.63 -0.83 -0.88 1.43 0.16 -1.58 118.68 122.12 2wo0 s LEU 532 Ca 0.22 -2.31 -0.25 0.00 -1.03 0.00 0.00 54.13 50.76 2wo0 s LEU 532 Cb -0.15 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.08 2wo0 s LEU 532 CO 0.13 -0.32 1.59 -0.62 0.23 0.00 0.00 176.35 177.36 2wo0 s ASP 533 N 0.76 5.86 -0.11 2.29 -1.08 0.02 -0.18 116.67 124.23 2wo0 s ASP 533 Ca 0.15 -0.63 -0.10 0.00 -0.52 0.00 0.00 52.55 51.45 2wo0 s ASP 533 Cb -0.22 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.64 2wo0 s ASP 533 CO -0.07 -2.05 0.23 -0.76 0.52 0.00 0.00 175.17 173.04 2wo0 s LEU 534 N 7.12 4.36 -0.57 -1.34 1.43 -1.26 -1.01 118.68 127.41 2wo0 s LEU 534 Ca 0.52 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 2wo0 s LEU 534 Cb -0.06 -2.24 0.14 0.00 0.03 0.00 0.00 46.19 44.06 2wo0 s LEU 534 CO 0.06 0.30 0.34 -1.81 0.23 0.00 0.00 176.35 175.47 2wo0 s ASP 535 N -0.59 4.65 -0.44 2.29 1.01 -0.66 -4.58 116.67 118.35 2wo0 s ASP 535 Ca 0.16 -3.06 -0.27 0.00 0.71 0.00 0.00 52.55 50.09 2wo0 s ASP 535 Cb -0.13 -1.71 -0.03 0.00 1.01 0.00 0.00 42.92 42.06 2wo0 s ASP 535 CO 0.05 -0.26 1.93 -0.69 0.21 0.00 0.00 175.17 176.41 2wo0 s VAL 536 N -0.35 3.34 -1.35 -1.27 1.01 -1.25 -2.70 120.40 117.82 2wo0 s VAL 536 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2wo0 s VAL 536 Cb -0.22 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2wo0 s VAL 536 CO -0.02 -0.51 0.00 -0.67 0.00 0.00 0.00 175.10 173.90 2wo0 n ASP 537 N 11.97 -4.15 0.00 3.32 -0.08 -0.18 -4.62 116.55 122.80 2wo0 n ASP 537 Ca 0.24 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 2wo0 n ASP 537 Cb 0.50 -3.63 0.00 0.00 2.34 0.00 0.00 41.12 40.33 2wo0 n ASP 537 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wo0 n GLY 538 N -0.62 3.74 0.15 0.27 0.00 -1.10 -4.78 105.19 102.85 2wo0 n GLY 538 Ca -0.16 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.30 2wo0 n GLY 538 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2wo0 h GLU 539 N 0.00 0.00 -6.24 1.61 9.09 -1.82 -3.40 114.58 113.82 2wo0 h GLU 539 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.85 2wo0 h GLU 539 Cb 0.00 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.01 2wo0 h GLU 539 CO 0.00 0.00 1.15 -0.80 0.05 0.00 0.00 179.01 179.41 2wo0 s ASN 540 N -5.34 6.25 0.32 3.06 0.01 -1.26 -3.31 114.94 114.68 2wo0 s ASN 540 Ca 0.06 -0.75 0.04 0.00 -0.71 0.00 0.00 52.86 51.50 2wo0 s ASN 540 Cb 0.09 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 39.13 2wo0 s ASN 540 CO 0.69 -1.73 0.04 0.20 -1.51 0.00 0.00 177.10 174.79 2wo0 s ASN 541 N 4.05 2.49 0.05 -1.22 0.02 0.08 -4.34 114.94 116.08 2wo0 s ASN 541 Ca 0.37 -1.35 -0.03 0.00 -1.02 0.00 0.00 52.86 50.83 2wo0 s ASN 541 Cb -0.06 -0.11 -0.03 0.00 0.02 0.00 0.00 41.25 41.07 2wo0 s ASN 541 CO 0.08 -0.57 0.02 -0.44 0.02 0.00 0.00 177.10 176.21 2wo0 s SER 542 N -3.49 0.35 -0.21 -1.22 0.01 -0.07 -0.87 113.70 108.19 2wo0 s SER 542 Ca 0.35 -0.80 -0.12 0.00 1.31 0.00 0.00 55.95 56.70 2wo0 s SER 542 Cb 0.08 0.21 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 2wo0 s SER 542 CO 0.15 -0.55 0.23 -0.22 0.41 0.00 0.00 173.24 173.26 2wo0 s LEU 543 N -2.54 4.16 -0.06 2.44 2.96 -1.26 -0.08 118.68 124.29 2wo0 s LEU 543 Ca 0.01 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 2wo0 s LEU 543 Cb 0.03 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.50 2wo0 s LEU 543 CO -0.08 0.06 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.17 2wo0 s VAL 544 N 0.93 1.34 -0.03 1.68 1.01 0.21 -0.66 120.40 124.88 2wo0 s VAL 544 Ca 0.11 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 2wo0 s VAL 544 Cb -0.13 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2wo0 s VAL 544 CO 0.04 0.40 0.31 0.00 0.00 0.00 0.00 175.10 175.85 2wo0 s ALA 545 N 0.40 3.77 -0.23 5.51 0.00 0.08 -0.38 121.76 130.91 2wo0 s ALA 545 Ca -0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 2wo0 s ALA 545 Cb -0.14 -2.21 0.07 0.00 0.00 0.00 0.00 23.12 20.84 2wo0 s ALA 545 CO 0.04 0.55 0.06 -1.64 0.00 0.00 0.00 175.76 174.77 2wo0 s MET 546 N -1.23 0.62 -0.36 0.00 -1.94 -0.22 -2.02 119.30 114.14 2wo0 s MET 546 Ca 0.23 -0.56 -0.10 0.00 -1.71 0.00 0.00 55.69 53.54 2wo0 s MET 546 Cb -0.15 -2.00 0.02 0.00 2.01 0.00 0.00 34.83 34.72 2wo0 s MET 546 CO 0.11 -0.75 0.19 -0.51 -0.01 0.00 0.00 175.02 174.06 2wo0 s ASP 547 N 1.83 5.68 0.22 3.03 1.01 0.04 -1.18 116.67 127.30 2wo0 s ASP 547 Ca 0.02 -0.91 -0.30 0.00 0.71 0.00 0.00 52.55 52.06 2wo0 s ASP 547 Cb -0.17 -2.01 -0.10 0.00 1.01 0.00 0.00 42.92 41.65 2wo0 s ASP 547 CO -0.14 -0.35 1.45 -2.84 0.21 0.00 0.00 175.17 173.50 2wo0 s PRO 548 N 1.56 4.27 0.06 8.23 0.02 -1.26 0.87 135.00 148.75 2wo0 s PRO 548 Ca 0.02 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 2wo0 s PRO 548 Cb -0.19 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 2wo0 s PRO 548 CO 0.06 -0.44 -0.03 0.14 -0.33 0.00 0.00 177.00 176.41 2wo0 s VAL 549 N 0.26 0.29 -0.33 3.83 -7.23 0.91 -4.86 120.40 113.27 2wo0 s VAL 549 Ca 0.61 -1.84 -0.16 0.00 -1.81 0.00 0.00 61.98 58.79 2wo0 s VAL 549 Cb -0.41 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2wo0 s VAL 549 CO 0.40 -0.94 0.39 -0.69 -0.31 0.00 0.00 175.10 173.95 2wo0 s VAL 550 N -3.88 5.14 0.26 1.32 1.01 -1.26 0.04 120.40 123.03 2wo0 s VAL 550 Ca 0.09 0.20 0.11 0.00 0.00 0.00 0.00 61.98 62.38 2wo0 s VAL 550 Cb 0.08 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2wo0 s VAL 550 CO -0.08 -0.06 -0.14 -0.54 0.00 0.00 0.00 175.10 174.28 2wo0 s LYS 551 N 2.09 1.87 0.39 2.72 -0.14 -0.30 -4.92 119.74 121.45 2wo0 s LYS 551 Ca 0.14 -1.60 -0.27 0.00 -1.36 0.00 0.00 55.97 52.88 2wo0 s LYS 551 Cb -0.16 -1.92 -0.09 0.00 -1.68 0.00 0.00 37.83 33.97 2wo0 s LYS 551 CO 0.12 0.36 1.30 -2.14 -0.76 0.00 0.00 175.35 174.23 2wo0 s PRO 552 N -3.41 4.06 0.10 -1.68 0.02 -1.26 0.15 135.00 132.97 2wo0 s PRO 552 Ca 0.29 2.17 -0.31 0.00 0.02 0.00 0.00 61.00 63.17 2wo0 s PRO 552 Cb -0.06 -2.83 -0.07 0.00 0.02 0.00 0.00 34.50 31.56 2wo0 s PRO 552 CO 0.16 -0.42 1.30 1.21 -0.33 0.00 0.00 177.00 178.91 2wo0 s ASN 553 N -0.68 6.95 0.00 2.53 2.47 0.12 -4.61 114.94 121.71 2wo0 s ASN 553 Ca 0.55 2.19 0.05 0.00 0.42 0.00 0.00 52.86 56.08 2wo0 s ASN 553 Cb -0.38 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 36.79 2wo0 s ASN 553 CO 0.50 -0.56 0.30 0.35 -3.72 0.00 0.00 177.10 173.97 2wo0 n THR 554 N 3.83 0.00 0.82 -5.21 -2.24 -1.26 -4.68 114.28 105.54 2wo0 n THR 554 Ca 0.10 -0.39 0.12 0.00 -2.27 0.00 0.00 64.05 61.61 2wo0 n THR 554 Cb 0.44 1.02 0.25 0.00 -2.10 0.00 0.00 70.33 69.94 2wo0 n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wo0 n ALA 555 N -0.90 2.47 0.00 6.98 0.00 -1.26 -5.06 120.51 122.74 2wo0 n ALA 555 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2wo0 n ALA 555 Cb 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2wo0 n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wo0 n GLY 556 N 1.35 0.51 0.80 0.00 0.00 -1.26 -5.13 105.19 101.46 2wo0 n GLY 556 Ca 0.17 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2wo0 n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wo0 n GLY 557 N 0.54 -2.99 0.23 -0.02 0.00 -1.26 -4.68 105.19 97.01 2wo0 n GLY 557 Ca 0.00 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.36 2wo0 n GLY 557 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wo0 h PRO 558 N 0.00 0.00 -6.61 1.61 0.11 -2.03 -3.44 132.00 121.64 2wo0 h PRO 558 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 2wo0 h PRO 558 Cb 0.00 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.15 2wo0 h PRO 558 CO 0.00 0.00 0.78 1.03 -0.21 0.00 0.00 178.00 179.60 2wo0 s ARG 559 N -3.33 4.28 0.24 1.05 1.81 -1.26 -4.92 118.95 116.82 2wo0 s ARG 559 Ca 0.06 2.21 0.23 0.00 -1.72 0.00 0.00 55.73 56.50 2wo0 s ARG 559 Cb 0.07 -3.19 0.11 0.00 -0.45 0.00 0.00 34.95 31.48 2wo0 s ARG 559 CO 0.63 -0.48 1.18 1.79 -0.68 0.00 0.00 175.30 177.74 2wo0 h THR 560 N 4.01 0.00 -4.09 0.02 1.35 -1.93 -3.41 112.91 108.86 2wo0 h THR 560 Ca -0.43 -0.94 -0.24 0.00 -0.55 0.00 0.00 66.41 64.25 2wo0 h THR 560 Cb 1.21 1.54 -0.15 0.00 -1.73 0.00 0.00 68.15 69.02 2wo0 h THR 560 CO 0.86 0.00 -0.65 -0.94 -0.25 0.00 0.00 175.52 174.54 2wo0 s SER 561 N -5.39 0.77 0.20 5.36 1.04 -1.26 -0.70 113.70 113.71 2wo0 s SER 561 Ca 0.02 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.24 2wo0 s SER 561 Cb 0.09 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2wo0 s SER 561 CO 0.76 -0.66 0.13 0.42 0.98 0.00 0.00 173.24 174.87 2wo0 s THR 562 N -3.86 0.01 -0.35 2.02 -4.23 0.40 -4.57 115.64 105.07 2wo0 s THR 562 Ca 0.25 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.68 2wo0 s THR 562 Cb 0.07 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.47 2wo0 s THR 562 CO 0.03 -0.03 0.15 -0.04 -0.54 0.00 0.00 174.62 174.19 2wo0 s MET 563 N -4.15 2.83 0.39 3.99 -1.94 -1.26 -1.15 119.30 118.01 2wo0 s MET 563 Ca 0.38 -1.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.32 2wo0 s MET 563 Cb 0.07 -3.58 -0.01 0.00 2.01 0.00 0.00 34.83 33.33 2wo0 s MET 563 CO 0.11 -0.63 0.05 1.04 -0.01 0.00 0.00 175.02 175.58 2wo0 n GLN 564 N 4.92 0.84 -4.52 2.03 6.02 0.11 -4.96 117.38 121.82 2wo0 n GLN 564 Ca -0.13 -3.01 -0.24 0.00 -0.01 0.00 0.00 57.00 53.61 2wo0 n GLN 564 Cb 0.46 1.12 -0.16 0.00 1.02 0.00 0.00 30.24 32.68 2wo0 n GLN 564 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wo0 s VAL 565 N -2.65 1.03 -0.45 5.09 1.01 -1.26 -0.06 120.40 123.11 2wo0 s VAL 565 Ca 0.07 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 2wo0 s VAL 565 Cb 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.46 2wo0 s VAL 565 CO 0.05 0.33 0.77 0.20 0.00 0.00 0.00 175.10 176.45 2wo0 s ASN 566 N 0.68 6.41 -0.10 3.32 -0.87 0.25 -4.88 114.94 119.75 2wo0 s ASN 566 Ca -0.14 -0.12 -0.03 0.00 -1.57 0.00 0.00 52.86 51.01 2wo0 s ASN 566 Cb -0.15 -2.38 -0.03 0.00 -0.02 0.00 0.00 41.25 38.66 2wo0 s ASN 566 CO 0.03 -0.90 0.01 -1.58 -2.57 0.00 0.00 177.10 172.10 2wo0 s GLN 567 N 3.24 3.18 -0.05 -0.60 0.74 -1.26 -0.78 119.66 124.14 2wo0 s GLN 567 Ca 0.29 -0.39 -0.29 0.00 0.05 0.00 0.00 55.36 55.02 2wo0 s GLN 567 Cb -0.12 -2.87 0.09 0.00 1.10 0.00 0.00 33.01 31.21 2wo0 s GLN 567 CO 0.22 0.62 0.81 1.52 -0.55 0.00 0.00 175.29 177.91 2wo0 s TYR 568 N -0.65 -0.49 0.41 1.67 1.13 -0.86 -5.01 117.35 113.56 2wo0 s TYR 568 Ca 0.11 0.68 -0.20 0.00 -1.41 0.00 0.00 57.07 56.24 2wo0 s TYR 568 Cb -0.12 0.47 -0.11 0.00 -1.10 0.00 0.00 41.96 41.11 2wo0 s TYR 568 CO 0.02 -0.55 0.92 -0.80 -2.51 0.00 0.00 175.55 172.63 2wo0 s ASN 569 N -1.64 6.93 -0.39 -0.18 -0.87 -1.26 -0.74 114.94 116.79 2wo0 s ASN 569 Ca -0.03 1.64 -0.08 0.00 -1.57 0.00 0.00 52.86 52.81 2wo0 s ASN 569 Cb -0.00 -2.52 0.06 0.00 -0.02 0.00 0.00 41.25 38.77 2wo0 s ASN 569 CO 0.00 -0.33 0.21 -0.63 -2.57 0.00 0.00 177.10 173.78 2wo0 s ILE 570 N -2.13 4.08 -0.12 0.60 1.01 0.17 -4.87 121.20 119.94 2wo0 s ILE 570 Ca 0.60 -1.30 0.16 0.00 0.00 0.00 0.00 60.65 60.11 2wo0 s ILE 570 Cb -0.10 -3.44 0.08 0.00 0.01 0.00 0.00 42.46 39.01 2wo0 s ILE 570 CO 0.14 -0.39 1.49 1.23 0.00 0.00 0.00 174.94 177.40 2wo0 h GLY 571 N 8.34 0.00 -2.93 6.18 0.00 -1.91 -3.39 103.07 109.35 2wo0 h GLY 571 Ca -0.23 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2wo0 h GLY 571 CO 0.70 0.00 -0.55 0.54 0.00 0.00 0.00 176.54 177.23 2wo0 s ASN 572 N -6.44 0.26 0.47 0.19 2.20 -1.26 1.00 114.94 111.35 2wo0 s ASN 572 Ca 0.03 -1.05 0.12 0.00 -0.94 0.00 0.00 52.86 51.03 2wo0 s ASN 572 Cb 0.08 0.32 1.08 0.00 -2.00 0.00 0.00 41.25 40.73 2wo0 s ASN 572 CO 0.73 -0.75 2.09 -0.33 -2.94 0.00 0.00 177.10 175.91 2wo0 h GLU 573 N 2.82 0.27 0.06 3.55 5.08 -1.29 -1.98 114.58 123.09 2wo0 h GLU 573 Ca -0.34 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 57.75 2wo0 h GLU 573 Cb 1.20 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.40 2wo0 h GLU 573 CO 0.57 0.18 -1.10 1.96 -1.00 0.00 0.00 179.01 179.62 2wo0 h GLN 574 N 0.27 0.43 -0.06 2.33 1.08 -1.86 -2.05 115.11 115.26 2wo0 h GLN 574 Ca 0.10 -0.55 -0.13 0.00 -1.45 0.00 0.00 58.65 56.62 2wo0 h GLN 574 Cb 0.06 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2wo0 h GLN 574 CO -0.02 1.21 -0.57 -0.44 -0.95 0.00 0.00 178.83 178.06 2wo0 h ASP 575 N 0.20 0.19 0.46 1.46 3.32 -1.91 -2.92 116.42 117.22 2wo0 h ASP 575 Ca -0.12 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.78 2wo0 h ASP 575 Cb 1.76 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.25 2wo0 h ASP 575 CO 0.19 0.72 -0.23 0.00 -1.72 0.00 0.00 179.24 178.20 2wo0 h ALA 576 N 1.28 1.29 -0.88 3.45 0.00 -1.04 -3.39 119.26 119.98 2wo0 h ALA 576 Ca -0.00 -0.21 -0.44 0.00 0.00 0.00 0.00 54.91 54.26 2wo0 h ALA 576 Cb 1.04 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 2wo0 h ALA 576 CO 0.08 0.29 1.12 0.00 0.00 0.00 0.00 179.25 180.74 2wo0 s ALA 577 N -4.12 2.16 0.05 0.00 0.00 -0.80 -4.16 121.76 114.90 2wo0 s ALA 577 Ca -0.02 -1.90 -0.05 0.00 0.00 0.00 0.00 51.96 49.99 2wo0 s ALA 577 Cb 0.13 -4.55 -0.02 0.00 0.00 0.00 0.00 23.12 18.68 2wo0 s ALA 577 CO 0.65 -4.27 0.08 1.14 0.00 0.00 0.00 175.76 173.36 2wo0 s GLN 578 N 6.04 0.64 0.51 0.00 -2.07 -0.44 -4.99 119.66 119.34 2wo0 s GLN 578 Ca 0.59 -0.90 -0.23 0.00 -1.82 0.00 0.00 55.36 53.00 2wo0 s GLN 578 Cb -0.03 0.25 -0.06 0.00 -1.09 0.00 0.00 33.01 32.07 2wo0 s GLN 578 CO -0.04 -0.16 1.36 0.15 -1.32 0.00 0.00 175.29 175.28 2wo0 s LYS 579 N -3.14 3.38 -0.22 9.60 -0.14 -1.26 -1.56 119.74 126.40 2wo0 s LYS 579 Ca -0.00 2.24 -0.10 0.00 -1.36 0.00 0.00 55.97 56.74 2wo0 s LYS 579 Cb 0.02 -2.40 -0.05 0.00 -1.68 0.00 0.00 37.83 33.72 2wo0 s LYS 579 CO -0.07 -1.00 0.14 0.12 -0.76 0.00 0.00 175.35 173.78 2wo0 s PHE 580 N -1.30 3.34 -0.38 3.18 5.36 -1.26 -4.82 117.98 122.10 2wo0 s PHE 580 Ca 0.67 0.23 -0.13 0.00 -0.96 0.00 0.00 56.93 56.75 2wo0 s PHE 580 Cb -0.40 -2.22 0.02 0.00 -0.34 0.00 0.00 43.02 40.08 2wo0 s PHE 580 CO 0.49 0.14 0.25 0.34 -1.46 0.00 0.00 175.22 174.98 2wo0 s ASP 581 N 0.78 5.93 0.15 6.13 -1.08 -1.26 -4.94 116.67 122.39 2wo0 s ASP 581 Ca 0.07 -0.85 0.13 0.00 -0.52 0.00 0.00 52.55 51.39 2wo0 s ASP 581 Cb -0.13 -2.10 0.66 0.00 -1.46 0.00 0.00 42.92 39.89 2wo0 s ASP 581 CO 0.02 -0.38 1.41 -0.81 0.52 0.00 0.00 175.17 175.93 2wo0 n PRO 582 N 5.08 0.08 0.07 4.34 -0.04 -1.26 0.12 135.00 143.39 2wo0 n PRO 582 Ca -0.12 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 2wo0 n PRO 582 Cb 0.47 -1.72 0.48 0.00 -0.04 0.00 0.00 33.50 32.69 2wo0 n PRO 582 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wo0 n GLY 583 N -0.98 -1.62 3.88 0.55 0.00 -1.26 -4.90 105.19 100.87 2wo0 n GLY 583 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 2wo0 n GLY 583 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wo0 s THR 584 N -3.07 2.46 0.01 2.61 -4.23 0.32 -4.53 115.64 109.21 2wo0 s THR 584 Ca 0.12 -1.37 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 2wo0 s THR 584 Cb 0.14 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 2wo0 s THR 584 CO 0.56 0.00 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.77 2wo0 s ILE 585 N -2.54 2.25 -0.05 2.99 1.01 -0.33 -4.89 121.20 119.64 2wo0 s ILE 585 Ca 0.46 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.91 2wo0 s ILE 585 Cb -0.03 -1.85 0.02 0.00 0.01 0.00 0.00 42.46 40.62 2wo0 s ILE 585 CO 0.27 0.46 -0.03 -0.13 0.00 0.00 0.00 174.94 175.51 2wo0 s ARG 586 N -0.98 0.77 -0.01 2.79 1.81 -1.26 -1.06 118.95 121.01 2wo0 s ARG 586 Ca 0.11 -0.05 0.06 0.00 -1.72 0.00 0.00 55.73 54.14 2wo0 s ARG 586 Cb -0.10 -0.88 -0.02 0.00 -0.45 0.00 0.00 34.95 33.50 2wo0 s ARG 586 CO 0.01 -0.15 -0.21 -0.51 -0.68 0.00 0.00 175.30 173.77 2wo0 s LEU 587 N 1.21 2.05 -0.46 2.53 1.43 0.48 -0.69 118.68 125.23 2wo0 s LEU 587 Ca -0.06 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 2wo0 s LEU 587 Cb -0.14 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.05 2wo0 s LEU 587 CO -0.02 0.25 0.62 -0.22 0.23 0.00 0.00 176.35 177.21 2wo0 s LEU 588 N -0.51 4.68 0.11 1.79 2.96 -0.74 0.65 118.68 127.61 2wo0 s LEU 588 Ca 0.08 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 2wo0 s LEU 588 Cb -0.08 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 2wo0 s LEU 588 CO -0.01 -0.80 0.11 -0.44 -1.32 0.00 0.00 176.35 173.89 2wo0 s SER 589 N 2.20 5.57 -0.66 3.68 0.01 0.88 -1.80 113.70 123.59 2wo0 s SER 589 Ca 0.19 -0.04 -0.10 0.00 1.31 0.00 0.00 55.95 57.31 2wo0 s SER 589 Cb -0.16 -1.49 0.17 0.00 0.21 0.00 0.00 66.02 64.75 2wo0 s SER 589 CO 0.16 0.13 0.55 0.21 0.41 0.00 0.00 173.24 174.70 2wo0 s ASN 590 N -2.69 6.00 0.00 2.44 3.84 -0.37 -0.89 114.94 123.27 2wo0 s ASN 590 Ca 0.30 -2.50 0.02 0.00 0.21 0.00 0.00 52.86 50.90 2wo0 s ASN 590 Cb -0.11 -2.05 0.12 0.00 -0.55 0.00 0.00 41.25 38.66 2wo0 s ASN 590 CO 0.23 -0.56 0.50 -0.81 -2.79 0.00 0.00 177.10 173.67 2wo0 n PRO 591 N 4.13 0.36 -0.00 0.43 -0.04 -1.26 -1.68 135.00 136.93 2wo0 n PRO 591 Ca 0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.57 2wo0 n PRO 591 Cb 0.42 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.70 2wo0 n PRO 591 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wo0 n ASN 592 N -0.59 1.19 -4.06 3.54 3.02 -1.26 -5.00 115.26 112.10 2wo0 n ASN 592 Ca 0.02 -0.45 -0.15 0.00 -0.03 0.00 0.00 54.58 53.96 2wo0 n ASN 592 Cb 0.01 1.27 -0.12 0.00 -0.61 0.00 0.00 39.78 40.33 2wo0 n ASN 592 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wo0 s LYS 593 N -2.54 0.58 0.02 3.52 1.02 -0.68 -5.11 119.74 116.55 2wo0 s LYS 593 Ca 0.01 -0.64 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 2wo0 s LYS 593 Cb 0.09 -0.45 -0.02 0.00 -0.52 0.00 0.00 37.83 36.93 2wo0 s LYS 593 CO 0.55 0.10 0.01 -1.21 -0.92 0.00 0.00 175.35 173.88 2wo0 s GLU 594 N -1.20 0.42 0.97 1.68 2.02 -1.26 -1.67 118.70 119.66 2wo0 s GLU 594 Ca -0.05 -0.69 -0.15 0.00 0.02 0.00 0.00 54.97 54.10 2wo0 s GLU 594 Cb -0.08 0.16 0.18 0.00 0.10 0.00 0.00 34.13 34.49 2wo0 s GLU 594 CO 0.01 -0.08 1.20 0.54 0.02 0.00 0.00 175.26 176.94 2wo0 s ASN 595 N -1.78 3.05 0.47 -0.19 4.22 0.71 -4.80 114.94 116.62 2wo0 s ASN 595 Ca -0.11 0.66 0.08 0.00 -2.14 0.00 0.00 52.86 51.36 2wo0 s ASN 595 Cb -0.06 -1.00 0.45 0.00 1.28 0.00 0.00 41.25 41.93 2wo0 s ASN 595 CO -0.03 -2.81 1.15 -0.09 -2.04 0.00 0.00 177.10 173.28 2wo0 h ARG 596 N -1.68 0.00 -0.22 3.55 2.43 -1.89 0.71 114.38 117.28 2wo0 h ARG 596 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2wo0 h ARG 596 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2wo0 h ARG 596 CO 0.50 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.63 2wo0 n MET 597 N -2.21 1.98 -0.97 0.20 2.81 -1.26 -4.94 117.12 112.73 2wo0 n MET 597 Ca -0.01 -1.88 0.00 0.00 -1.81 0.00 0.00 57.70 54.01 2wo0 n MET 597 Cb 0.65 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 2wo0 n MET 597 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wo0 n GLY 598 N 1.07 0.43 3.83 3.03 0.00 0.24 -5.05 105.19 108.75 2wo0 n GLY 598 Ca 0.14 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 2wo0 n GLY 598 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wo0 s ASN 599 N -2.67 6.78 0.28 1.61 0.01 -1.26 -4.85 114.94 114.85 2wo0 s ASN 599 Ca 0.00 0.93 -0.30 0.00 -0.71 0.00 0.00 52.86 52.78 2wo0 s ASN 599 Cb 0.00 -2.25 -0.12 0.00 0.41 0.00 0.00 41.25 39.29 2wo0 s ASN 599 CO 0.00 0.30 1.51 -2.65 -1.51 0.00 0.00 177.10 174.74 2wo0 n PRO 600 N 2.01 2.44 -2.00 -0.60 -0.02 -1.26 -0.21 135.00 135.37 2wo0 n PRO 600 Ca -0.14 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 2wo0 n PRO 600 Cb 0.52 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 2wo0 n PRO 600 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wo0 s VAL 601 N -0.15 2.66 0.22 -1.45 -7.23 -0.67 -4.70 120.40 109.08 2wo0 s VAL 601 Ca 0.64 0.53 -0.07 0.00 -1.81 0.00 0.00 61.98 61.28 2wo0 s VAL 601 Cb -0.55 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.03 2wo0 s VAL 601 CO 0.50 0.08 0.30 -0.44 -0.31 0.00 0.00 175.10 175.24 2wo0 s SER 602 N 0.53 0.04 -0.08 4.85 0.01 -0.77 -1.23 113.70 117.05 2wo0 s SER 602 Ca 0.62 -1.16 0.03 0.00 1.31 0.00 0.00 55.95 56.74 2wo0 s SER 602 Cb -0.42 0.48 0.01 0.00 0.21 0.00 0.00 66.02 66.30 2wo0 s SER 602 CO 0.41 -0.99 -0.18 -0.31 0.41 0.00 0.00 173.24 172.58 2wo0 s TYR 603 N -4.08 1.93 0.11 2.43 1.51 -0.75 0.43 117.35 118.92 2wo0 s TYR 603 Ca 0.31 -0.73 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 2wo0 s TYR 603 Cb 0.03 -1.33 -0.06 0.00 -0.11 0.00 0.00 41.96 40.49 2wo0 s TYR 603 CO 0.11 -0.31 1.01 -1.14 -1.11 0.00 0.00 175.55 174.10 2wo0 s GLN 604 N 0.44 4.64 -0.22 -0.62 0.74 0.17 -1.80 119.66 123.02 2wo0 s GLN 604 Ca -0.15 1.52 -0.05 0.00 0.05 0.00 0.00 55.36 56.73 2wo0 s GLN 604 Cb -0.16 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.56 2wo0 s GLN 604 CO 0.06 0.12 0.00 0.42 -0.55 0.00 0.00 175.29 175.34 2wo0 s ILE 605 N 0.16 3.86 -0.52 -2.34 1.01 0.14 -0.97 121.20 122.54 2wo0 s ILE 605 Ca 0.49 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.84 2wo0 s ILE 605 Cb -0.25 -2.76 0.15 0.00 0.01 0.00 0.00 42.46 39.61 2wo0 s ILE 605 CO 0.31 0.41 0.32 -0.63 0.00 0.00 0.00 174.94 175.34 2wo0 s ILE 606 N 1.26 1.87 0.51 2.92 1.01 0.22 -4.45 121.20 124.55 2wo0 s ILE 606 Ca 0.04 -3.14 0.24 0.00 0.00 0.00 0.00 60.65 57.79 2wo0 s ILE 606 Cb -0.15 -2.28 0.30 0.00 0.01 0.00 0.00 42.46 40.34 2wo0 s ILE 606 CO 0.01 -0.95 2.15 -0.65 0.00 0.00 0.00 174.94 175.50 2wo0 h PRO 607 N 6.22 0.00 -3.57 2.79 0.11 -1.89 -1.52 132.00 134.14 2wo0 h PRO 607 Ca 0.05 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.55 2wo0 h PRO 607 Cb 0.88 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.58 2wo0 h PRO 607 CO 0.57 0.06 -0.74 -0.47 -0.21 0.00 0.00 178.00 177.20 2wo0 s TYR 608 N -4.61 2.15 -0.70 0.65 5.04 -1.26 -4.57 117.35 114.06 2wo0 s TYR 608 Ca -0.04 -2.17 0.16 0.00 -2.44 0.00 0.00 57.07 52.57 2wo0 s TYR 608 Cb 0.15 -1.99 0.64 0.00 0.35 0.00 0.00 41.96 41.12 2wo0 s TYR 608 CO 0.60 -0.86 1.56 0.00 -1.34 0.00 0.00 175.55 175.51 2wo0 n ALA 609 N 4.33 3.10 0.00 3.97 0.00 0.15 -4.90 120.51 127.16 2wo0 n ALA 609 Ca 0.02 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.68 2wo0 n ALA 609 Cb 0.40 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2wo0 n ALA 609 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wo0 n GLY 610 N 0.55 3.04 3.57 0.00 0.00 -1.22 -4.77 105.19 106.36 2wo0 n GLY 610 Ca 0.23 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 2wo0 n GLY 610 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wo0 s GLY 611 N 0.00 -0.30 0.00 -0.02 0.00 -1.26 -0.75 107.32 104.99 2wo0 s GLY 611 Ca 0.00 1.62 0.22 0.00 0.00 0.00 0.00 44.72 46.56 2wo0 s GLY 611 CO 0.00 0.61 0.99 -1.30 0.00 0.00 0.00 173.10 173.40 2wo0 n THR 612 N 0.05 0.00 -4.10 0.90 -2.24 0.82 -4.90 114.28 104.81 2wo0 n THR 612 Ca -0.04 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 2wo0 n THR 612 Cb 0.59 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.78 2wo0 n THR 612 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2wo0 s HIS 613 N -2.85 2.85 0.65 4.78 4.02 -1.26 -4.94 115.29 118.54 2wo0 s HIS 613 Ca 0.11 -0.25 -0.18 0.00 1.02 0.00 0.00 55.06 55.76 2wo0 s HIS 613 Cb 0.17 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.58 30.22 2wo0 s HIS 613 CO 0.78 0.43 1.23 -2.30 1.02 0.00 0.00 174.74 175.90 2wo0 n PRO 614 N -1.14 1.03 -3.62 8.40 -0.02 -1.26 -4.86 135.00 133.54 2wo0 n PRO 614 Ca -0.05 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.46 2wo0 n PRO 614 Cb 0.59 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 2wo0 n PRO 614 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wo0 s VAL 615 N -1.44 5.19 -0.18 -1.45 1.01 -1.26 -0.96 120.40 121.31 2wo0 s VAL 615 Ca 0.81 0.63 -0.24 0.00 0.00 0.00 0.00 61.98 63.19 2wo0 s VAL 615 Cb -0.38 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2wo0 s VAL 615 CO 0.42 0.58 0.76 0.00 0.00 0.00 0.00 175.10 176.85 2wo0 s ALA 616 N -0.98 3.52 -1.25 5.51 0.00 -0.77 -4.53 121.76 123.26 2wo0 s ALA 616 Ca 0.21 -0.07 0.24 0.00 0.00 0.00 0.00 51.96 52.34 2wo0 s ALA 616 Cb -0.15 -3.13 0.36 0.00 0.00 0.00 0.00 23.12 20.20 2wo0 s ALA 616 CO 0.10 -0.60 1.31 0.36 0.00 0.00 0.00 175.76 176.93 2wo0 n LYS 617 N 5.12 0.28 -3.52 0.00 2.85 -1.26 -4.54 118.16 117.09 2wo0 n LYS 617 Ca 0.02 -0.19 -0.00 0.00 -1.05 0.00 0.00 58.31 57.09 2wo0 n LYS 617 Cb 0.49 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.39 2wo0 n LYS 617 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wo0 n GLY 618 N 1.46 0.53 3.74 2.58 0.00 -1.26 -4.84 105.19 107.40 2wo0 n GLY 618 Ca 0.07 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 2wo0 n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wo0 s ALA 619 N -1.84 3.50 -1.45 4.61 0.00 -1.15 -4.90 121.76 120.53 2wo0 s ALA 619 Ca 0.21 1.09 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 2wo0 s ALA 619 Cb -0.02 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.67 2wo0 s ALA 619 CO 0.02 -0.51 2.57 1.04 0.00 0.00 0.00 175.76 178.89 2wo0 n GLN 620 N 2.35 4.08 -3.81 0.00 1.13 -1.26 -4.84 117.38 115.04 2wo0 n GLN 620 Ca 0.05 -2.92 -0.13 0.00 -1.94 0.00 0.00 57.00 52.07 2wo0 n GLN 620 Cb 0.43 -2.76 -0.13 0.00 0.11 0.00 0.00 30.24 27.89 2wo0 n GLN 620 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2wo0 s PHE 621 N 0.53 -0.13 0.32 1.08 0.40 -1.26 -5.02 117.98 113.90 2wo0 s PHE 621 Ca 0.59 0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 56.98 2wo0 s PHE 621 Cb 0.17 0.00 -0.13 0.00 0.51 0.00 0.00 43.02 43.58 2wo0 s PHE 621 CO -0.07 -0.09 1.31 0.00 0.70 0.00 0.00 175.22 177.06 2wo0 n ALA 622 N 3.36 1.24 0.00 5.36 0.00 -1.26 -4.86 120.51 124.35 2wo0 n ALA 622 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2wo0 n ALA 622 Cb 0.57 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2wo0 n ALA 622 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wo0 n PRO 623 N 0.83 0.00 -0.25 0.00 -0.04 -1.26 -1.03 135.00 133.25 2wo0 n PRO 623 Ca 0.06 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 64.01 2wo0 n PRO 623 Cb 0.35 -1.58 0.24 0.00 -0.04 0.00 0.00 33.50 32.47 2wo0 n PRO 623 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wo0 n ASP 624 N -1.38 3.47 -4.74 3.54 5.75 -1.26 -4.62 116.55 117.30 2wo0 n ASP 624 Ca 0.00 -1.97 -0.41 0.00 -0.01 0.00 0.00 54.79 52.40 2wo0 n ASP 624 Cb 0.08 -0.34 -0.04 0.00 -1.03 0.00 0.00 41.12 39.79 2wo0 n ASP 624 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wo0 s GLU 625 N -1.13 4.64 0.25 0.11 0.41 -0.19 -4.95 118.70 117.83 2wo0 s GLU 625 Ca 0.38 1.66 -0.04 0.00 -0.41 0.00 0.00 54.97 56.57 2wo0 s GLU 625 Cb 0.21 -3.28 0.45 0.00 -1.78 0.00 0.00 34.13 29.72 2wo0 s GLU 625 CO 0.28 0.16 1.76 -1.49 -0.49 0.00 0.00 175.26 175.47 2wo0 h TRP 626 N 4.94 0.67 -0.31 1.61 4.06 -1.89 -1.19 115.95 123.84 2wo0 h TRP 626 Ca -0.44 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.52 2wo0 h TRP 626 Cb 1.21 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 29.17 2wo0 h TRP 626 CO 0.62 0.18 0.10 0.97 -3.56 0.00 0.00 178.44 176.75 2wo0 h ILE 627 N 0.58 1.14 -0.47 1.49 2.10 -1.93 0.10 117.51 120.53 2wo0 h ILE 627 Ca 0.42 -0.46 -0.09 0.00 1.08 0.00 0.00 64.86 65.80 2wo0 h ILE 627 Cb 0.55 0.80 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 2wo0 h ILE 627 CO -0.34 0.17 -0.07 0.22 -1.08 0.00 0.00 178.15 177.05 2wo0 h TYR 628 N 0.44 0.91 -0.26 2.19 5.03 -1.56 -2.24 116.97 121.48 2wo0 h TYR 628 Ca 0.11 -0.16 -0.15 0.00 2.58 0.00 0.00 58.73 61.11 2wo0 h TYR 628 Cb 0.14 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.18 2wo0 h TYR 628 CO 0.00 0.87 -0.42 1.25 -1.32 0.00 0.00 178.16 178.54 2wo0 h HIS 629 N 0.76 0.92 -0.05 -3.82 2.76 -0.38 -3.25 115.15 112.08 2wo0 h HIS 629 Ca 0.13 -0.32 -0.11 0.00 -2.20 0.00 0.00 60.37 57.88 2wo0 h HIS 629 Cb 0.56 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 2wo0 h HIS 629 CO 0.03 1.10 -0.47 0.00 -1.30 0.00 0.00 177.93 177.29 2wo0 h ARG 630 N 0.47 0.12 -2.16 5.26 3.08 -0.77 -3.38 114.38 117.00 2wo0 h ARG 630 Ca 0.02 -0.06 -0.58 0.00 0.07 0.00 0.00 59.98 59.43 2wo0 h ARG 630 Cb 1.02 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.66 2wo0 h ARG 630 CO 0.10 0.57 -0.77 1.28 -1.07 0.00 0.00 179.97 180.07 2wo0 n LEU 631 N -3.98 2.91 -0.04 3.04 4.77 -0.85 -3.96 117.00 118.89 2wo0 n LEU 631 Ca -0.02 -5.31 0.24 0.00 -0.03 0.00 0.00 56.01 50.90 2wo0 n LEU 631 Cb 0.50 -0.23 0.67 0.00 -2.33 0.00 0.00 43.42 42.03 2wo0 n LEU 631 CO 0.41 2.16 1.22 0.28 -1.33 0.00 0.00 177.39 180.13 2wo0 h SER 632 N 3.71 0.00 0.74 -1.43 0.02 -1.74 -2.81 113.55 112.04 2wo0 h SER 632 Ca 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2wo0 h SER 632 Cb 0.70 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 2wo0 h SER 632 CO 0.72 0.00 -0.07 2.19 -1.14 0.00 0.00 176.83 178.54 2wo0 h PHE 633 N 0.00 0.00 0.00 3.45 -5.15 -1.91 -1.89 116.94 111.44 2wo0 h PHE 633 Ca 0.32 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.08 2wo0 h PHE 633 Cb 1.71 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.88 2wo0 h PHE 633 CO 0.00 0.07 -0.02 0.52 -2.00 0.00 0.00 178.31 176.88 2wo0 h MET 634 N 0.00 0.00 -0.21 6.09 0.00 -1.89 -3.27 114.93 115.66 2wo0 h MET 634 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.70 2wo0 h MET 634 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.06 2wo0 h MET 634 CO 0.01 0.02 0.00 -3.47 0.00 0.00 0.00 176.91 173.47 2wo0 n ASP 635 N -3.25 2.72 -3.91 1.22 2.03 -0.71 -2.92 116.55 111.73 2wo0 n ASP 635 Ca -0.02 -2.19 -0.11 0.00 0.52 0.00 0.00 54.79 52.99 2wo0 n ASP 635 Cb 0.14 -0.21 -0.13 0.00 -0.72 0.00 0.00 41.12 40.20 2wo0 n ASP 635 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wo0 s LYS 636 N -1.33 0.13 0.12 -0.67 -0.14 -1.23 -4.76 119.74 111.86 2wo0 s LYS 636 Ca 0.19 -0.21 0.22 0.00 -1.36 0.00 0.00 55.97 54.81 2wo0 s LYS 636 Cb 0.12 -0.00 -0.11 0.00 -1.68 0.00 0.00 37.83 36.16 2wo0 s LYS 636 CO 0.09 -0.01 0.85 1.04 -0.76 0.00 0.00 175.35 176.57 2wo0 n GLN 637 N 2.60 0.62 -4.70 1.68 3.00 -0.95 -4.46 117.38 115.17 2wo0 n GLN 637 Ca -0.16 0.04 -0.24 0.00 -0.01 0.00 0.00 57.00 56.63 2wo0 n GLN 637 Cb 0.58 -1.74 -0.16 0.00 0.00 0.00 0.00 30.24 28.93 2wo0 n GLN 637 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2wo0 s LEU 638 N -5.15 1.92 0.03 1.08 2.96 -0.60 -0.35 118.68 118.57 2wo0 s LEU 638 Ca -0.03 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2wo0 s LEU 638 Cb 0.11 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 2wo0 s LEU 638 CO 0.83 0.15 -0.05 0.26 -1.32 0.00 0.00 176.35 176.21 2wo0 s TRP 639 N -0.06 0.43 -0.04 5.38 0.52 -0.27 -1.33 118.94 123.58 2wo0 s TRP 639 Ca -0.00 -0.53 -0.01 0.00 0.02 0.00 0.00 56.10 55.58 2wo0 s TRP 639 Cb -0.09 -0.28 0.03 0.00 -1.15 0.00 0.00 33.47 31.98 2wo0 s TRP 639 CO 0.01 -0.15 0.08 0.08 0.02 0.00 0.00 176.95 176.99 2wo0 s VAL 640 N -1.48 -0.09 0.24 4.03 1.01 -1.26 -0.19 120.40 122.67 2wo0 s VAL 640 Ca -0.13 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2wo0 s VAL 640 Cb -0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2wo0 s VAL 640 CO -0.01 0.11 -0.02 0.42 0.00 0.00 0.00 175.10 175.60 2wo0 s THR 641 N 1.42 1.19 0.23 3.92 -4.23 -0.76 -4.58 115.64 112.82 2wo0 s THR 641 Ca -0.05 -2.06 -0.30 0.00 -1.18 0.00 0.00 61.69 58.10 2wo0 s THR 641 Cb -0.12 -2.34 -0.09 0.00 1.34 0.00 0.00 72.50 71.29 2wo0 s THR 641 CO -0.04 -0.34 1.12 -0.13 -0.54 0.00 0.00 174.62 174.69 2wo0 s ARG 642 N -3.82 4.60 -0.30 3.99 0.52 -1.26 -1.12 118.95 121.55 2wo0 s ARG 642 Ca 0.28 1.79 -0.41 0.00 -0.52 0.00 0.00 55.73 56.87 2wo0 s ARG 642 Cb 0.05 -3.23 -0.16 0.00 0.52 0.00 0.00 34.95 32.13 2wo0 s ARG 642 CO 0.09 0.11 1.70 0.98 0.02 0.00 0.00 175.30 178.20 2wo0 n TYR 643 N 1.82 1.98 -3.74 -0.53 9.36 0.21 -4.80 117.16 121.46 2wo0 n TYR 643 Ca 0.01 0.64 -0.16 0.00 3.32 0.00 0.00 57.90 61.71 2wo0 n TYR 643 Cb 0.45 -2.42 -0.16 0.00 -0.63 0.00 0.00 39.34 36.58 2wo0 n TYR 643 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2wo0 s HIS 644 N 3.32 0.00 0.39 2.98 5.65 -1.26 -5.04 115.29 121.33 2wo0 s HIS 644 Ca 0.99 0.23 0.39 0.00 0.25 0.00 0.00 55.06 56.92 2wo0 s HIS 644 Cb -1.13 -0.28 1.93 0.00 -1.18 0.00 0.00 32.58 31.91 2wo0 s HIS 644 CO 0.67 -0.13 2.19 -1.00 -0.65 0.00 0.00 174.74 175.82 2wo0 h PRO 645 N 7.63 0.00 -0.64 2.88 0.13 -2.04 -1.67 132.00 138.28 2wo0 h PRO 645 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2wo0 h PRO 645 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2wo0 h PRO 645 CO 0.38 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.56 2wo0 n GLY 646 N -0.56 2.37 3.04 1.56 0.00 -1.26 -4.78 105.19 105.57 2wo0 n GLY 646 Ca -0.01 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2wo0 n GLY 646 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wo0 s GLU 647 N -1.79 1.61 0.00 1.61 2.02 -0.63 -4.88 118.70 116.65 2wo0 s GLU 647 Ca 0.45 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 53.53 2wo0 s GLU 647 Cb 0.29 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 31.22 2wo0 s GLU 647 CO 0.22 -0.98 0.00 0.54 0.02 0.00 0.00 175.26 175.06 2wo0 n ARG 648 N 4.26 3.33 -4.14 1.61 1.74 -1.26 -4.84 116.66 117.35 2wo0 n ARG 648 Ca 0.03 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 2wo0 n ARG 648 Cb 0.41 -0.41 -0.17 0.00 -1.02 0.00 0.00 32.46 31.28 2wo0 n ARG 648 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wo0 s PHE 649 N -0.65 1.92 0.41 -1.55 0.08 -1.26 -4.76 117.98 112.17 2wo0 s PHE 649 Ca 0.00 -0.99 0.33 0.00 0.12 0.00 0.00 56.93 56.39 2wo0 s PHE 649 Cb 0.00 -1.44 1.70 0.00 -0.57 0.00 0.00 43.02 42.71 2wo0 s PHE 649 CO 0.00 -0.56 2.14 -1.00 -0.10 0.00 0.00 175.22 175.70 2wo0 h PRO 650 N 7.85 0.00 -0.06 0.24 0.13 -1.93 -1.10 132.00 137.14 2wo0 h PRO 650 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2wo0 h PRO 650 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2wo0 h PRO 650 CO 0.49 0.06 0.00 -0.85 -0.23 0.00 0.00 178.00 177.47 2wo0 n GLU 651 N -3.38 1.90 0.00 0.86 0.00 -1.26 -1.19 120.64 117.57 2wo0 n GLU 651 Ca -0.02 -1.77 0.00 0.00 0.00 0.00 0.00 57.16 55.37 2wo0 n GLU 651 Cb 0.21 -1.40 0.00 0.00 0.00 0.00 0.00 31.44 30.25 2wo0 n GLU 651 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wo0 n GLY 652 N 1.17 0.97 0.21 -1.84 0.00 -0.42 -4.30 105.19 100.99 2wo0 n GLY 652 Ca 0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 2wo0 n GLY 652 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wo0 h LYS 653 N 0.00 0.44 -2.41 1.61 3.64 -1.82 -3.34 116.57 114.69 2wo0 h LYS 653 Ca 0.00 -0.03 -0.60 0.00 -1.27 0.00 0.00 60.65 58.75 2wo0 h LYS 653 Cb 0.00 -0.10 -0.42 0.00 -0.41 0.00 0.00 32.23 31.30 2wo0 h LYS 653 CO 0.00 0.29 -0.65 0.66 -2.27 0.00 0.00 179.45 177.48 2wo0 n TYR 654 N -4.93 3.00 1.82 1.91 4.01 -1.26 -4.93 117.16 116.78 2wo0 n TYR 654 Ca 0.06 -4.11 0.11 0.00 -0.16 0.00 0.00 57.90 53.80 2wo0 n TYR 654 Cb 0.18 -0.53 0.59 0.00 -0.31 0.00 0.00 39.34 39.28 2wo0 n TYR 654 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2wo0 n PRO 655 N 1.26 1.18 -2.47 -0.72 -0.04 -1.26 -4.34 135.00 128.61 2wo0 n PRO 655 Ca 0.27 -0.27 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2wo0 n PRO 655 Cb 0.41 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 2wo0 n PRO 655 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wo0 s ASN 656 N -1.69 7.00 -1.23 3.54 2.47 -1.26 -3.16 114.94 120.60 2wo0 s ASN 656 Ca 0.33 1.67 0.00 0.00 0.42 0.00 0.00 52.86 55.29 2wo0 s ASN 656 Cb 0.16 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 2wo0 s ASN 656 CO 0.26 -0.69 0.00 0.54 -3.72 0.00 0.00 177.10 173.49 2wo0 n ARG 657 N 6.17 -1.51 -1.18 0.43 1.74 -1.26 -4.35 116.66 116.69 2wo0 n ARG 657 Ca 0.13 0.69 -0.36 0.00 -0.77 0.00 0.00 57.85 57.54 2wo0 n ARG 657 Cb 0.45 -5.01 0.07 0.00 -1.02 0.00 0.00 32.46 26.96 2wo0 n ARG 657 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wo0 n SER 658 N -0.75 -1.57 -0.00 0.55 3.41 -1.19 -4.76 113.62 109.31 2wo0 n SER 658 Ca -0.13 0.54 0.03 0.00 -0.26 0.00 0.00 58.87 59.05 2wo0 n SER 658 Cb 0.45 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.17 2wo0 n SER 658 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wo0 n THR 659 N -2.55 0.00 -4.13 6.66 -2.24 -1.26 -4.59 114.28 106.18 2wo0 n THR 659 Ca 0.09 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.66 2wo0 n THR 659 Cb 0.51 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.10 2wo0 n THR 659 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wo0 n HIS 660 N -1.69 0.01 -3.26 4.78 1.44 -1.26 -4.90 115.22 110.34 2wo0 n HIS 660 Ca -0.01 -0.69 -0.43 0.00 -2.01 0.00 0.00 57.72 54.58 2wo0 n HIS 660 Cb 0.15 0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.19 2wo0 n HIS 660 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2wo0 s ASP 661 N -1.65 6.24 0.00 4.39 -1.08 -1.25 -4.76 116.67 118.55 2wo0 s ASP 661 Ca 0.06 -0.51 0.24 0.00 -0.52 0.00 0.00 52.55 51.81 2wo0 s ASP 661 Cb 0.00 -2.25 0.23 0.00 -1.46 0.00 0.00 42.92 39.44 2wo0 s ASP 661 CO 0.04 -0.62 1.27 0.35 0.52 0.00 0.00 175.17 176.73 2wo0 n THR 662 N 5.55 0.08 0.00 1.71 -2.24 -1.26 -3.58 114.28 114.54 2wo0 n THR 662 Ca -0.06 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2wo0 n THR 662 Cb 0.48 1.41 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 2wo0 n THR 662 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wo0 n GLY 663 N 1.36 1.07 0.33 3.38 0.00 -1.26 -4.38 105.19 105.69 2wo0 n GLY 663 Ca 0.15 -0.75 0.16 0.00 0.00 0.00 0.00 46.02 45.58 2wo0 n GLY 663 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wo0 h LEU 664 N 0.00 0.00 -0.23 0.99 3.38 -1.31 0.17 115.31 118.30 2wo0 h LEU 664 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2wo0 h LEU 664 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2wo0 h LEU 664 CO 0.00 0.00 0.06 1.23 0.09 0.00 0.00 178.44 179.82 2wo0 h GLY 665 N 0.00 0.27 1.51 0.83 0.00 -1.84 -2.78 103.07 101.07 2wo0 h GLY 665 Ca 0.08 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 2wo0 h GLY 665 CO -0.00 0.01 -0.46 -1.61 0.00 0.00 0.00 176.54 174.48 2wo0 h GLN 666 N 0.16 0.53 0.00 4.80 4.15 -0.79 -1.86 115.11 122.10 2wo0 h GLN 666 Ca 0.10 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 2wo0 h GLN 666 Cb 0.09 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 2wo0 h GLN 666 CO -0.12 0.88 -0.00 1.88 -1.93 0.00 0.00 178.83 179.53 2wo0 h TYR 667 N 0.43 0.00 -0.01 3.99 0.05 -0.99 -2.61 116.97 117.82 2wo0 h TYR 667 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2wo0 h TYR 667 Cb 0.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.71 2wo0 h TYR 667 CO 0.04 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 176.02 2wo0 n SER 668 N -3.10 1.26 -0.24 3.88 3.41 -1.06 -4.71 113.62 113.05 2wo0 n SER 668 Ca 0.00 -1.14 0.09 0.00 -0.26 0.00 0.00 58.87 57.56 2wo0 n SER 668 Cb 0.29 -0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.41 2wo0 n SER 668 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2wo0 n LYS 669 N 0.16 -0.06 -0.32 4.33 4.81 -0.70 -0.91 118.16 125.46 2wo0 n LYS 669 Ca 0.02 1.04 0.09 0.00 -0.87 0.00 0.00 58.31 58.59 2wo0 n LYS 669 Cb 0.08 -1.63 0.25 0.00 0.02 0.00 0.00 35.03 33.75 2wo0 n LYS 669 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wo0 n ASP 670 N -4.98 3.14 -3.96 3.14 8.00 -1.26 -4.98 116.55 115.64 2wo0 n ASP 670 Ca 0.15 -2.07 -0.41 0.00 0.71 0.00 0.00 54.79 53.17 2wo0 n ASP 670 Cb 0.48 -0.40 0.02 0.00 -0.02 0.00 0.00 41.12 41.20 2wo0 n ASP 670 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2wo0 n ASN 671 N 1.06 -4.48 -4.90 -2.24 5.15 -0.09 -4.92 115.26 104.83 2wo0 n ASN 671 Ca 0.19 -1.20 -0.29 0.00 -0.60 0.00 0.00 54.58 52.68 2wo0 n ASN 671 Cb 0.52 -1.97 0.07 0.00 -0.53 0.00 0.00 39.78 37.88 2wo0 n ASN 671 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2wo0 s GLU 672 N -6.80 2.30 0.28 1.20 2.02 -1.26 -4.54 118.70 111.90 2wo0 s GLU 672 Ca 0.41 0.19 -0.29 0.00 0.02 0.00 0.00 54.97 55.30 2wo0 s GLU 672 Cb -0.21 -2.00 -0.10 0.00 0.10 0.00 0.00 34.13 31.92 2wo0 s GLU 672 CO 0.94 -1.36 1.22 0.45 0.02 0.00 0.00 175.26 176.53 2wo0 s SER 673 N -4.49 7.00 -0.27 -0.19 0.15 -1.26 -0.97 113.70 113.67 2wo0 s SER 673 Ca 0.60 2.46 0.09 0.00 0.70 0.00 0.00 55.95 59.80 2wo0 s SER 673 Cb -0.11 -2.63 0.47 0.00 -1.71 0.00 0.00 66.02 62.04 2wo0 s SER 673 CO 0.49 -0.37 1.36 0.18 1.20 0.00 0.00 173.24 176.10 2wo0 n LEU 674 N 1.32 3.69 -4.61 3.45 4.77 0.28 -4.83 117.00 121.07 2wo0 n LEU 674 Ca 0.01 -3.93 -0.39 0.00 -0.03 0.00 0.00 56.01 51.66 2wo0 n LEU 674 Cb 0.43 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 2wo0 n LEU 674 CO 0.57 1.40 0.09 -0.62 -1.33 0.00 0.00 177.39 177.50 2wo0 s ASP 675 N -2.90 6.27 -1.18 -1.43 2.15 -1.25 -4.22 116.67 114.11 2wo0 s ASP 675 Ca 0.43 0.31 -0.31 0.00 0.43 0.00 0.00 52.55 53.40 2wo0 s ASP 675 Cb 0.40 -2.22 0.04 0.00 -0.30 0.00 0.00 42.92 40.83 2wo0 s ASP 675 CO -0.03 -0.20 0.69 -3.20 -0.17 0.00 0.00 175.17 172.27 2wo0 n ASN 676 N 5.36 -4.33 -3.47 -0.34 5.15 -0.46 -4.94 115.26 112.22 2wo0 n ASN 676 Ca -0.08 -1.25 -0.13 0.00 -0.60 0.00 0.00 54.58 52.52 2wo0 n ASN 676 Cb 0.51 -1.86 -0.04 0.00 -0.53 0.00 0.00 39.78 37.86 2wo0 n ASN 676 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2wo0 s THR 677 N -3.48 0.00 -0.35 -0.44 -1.32 -0.05 -4.52 115.64 105.47 2wo0 s THR 677 Ca 0.46 -1.54 -0.29 0.00 -1.21 0.00 0.00 61.69 59.12 2wo0 s THR 677 Cb -0.25 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 2wo0 s THR 677 CO 0.96 0.00 1.38 -0.62 -2.21 0.00 0.00 174.62 174.13 2wo0 s ASP 678 N -3.17 6.48 0.27 8.08 -1.08 -1.21 -0.74 116.67 125.30 2wo0 s ASP 678 Ca 0.28 1.04 0.08 0.00 -0.52 0.00 0.00 52.55 53.43 2wo0 s ASP 678 Cb -0.00 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 2wo0 s ASP 678 CO 0.16 -1.28 0.15 0.00 0.52 0.00 0.00 175.17 174.73 2wo0 s ALA 679 N 4.98 3.50 -0.08 3.66 0.00 -1.26 -0.62 121.76 131.94 2wo0 s ALA 679 Ca 0.60 -1.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 2wo0 s ALA 679 Cb -0.16 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 21.86 2wo0 s ALA 679 CO 0.28 0.22 -0.04 0.08 0.00 0.00 0.00 175.76 176.31 2wo0 s VAL 680 N -2.21 0.68 -0.11 0.00 1.01 -0.27 -4.03 120.40 115.47 2wo0 s VAL 680 Ca 0.33 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 2wo0 s VAL 680 Cb -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2wo0 s VAL 680 CO 0.24 0.30 0.20 -0.69 0.00 0.00 0.00 175.10 175.15 2wo0 s VAL 681 N 1.61 5.39 -0.14 2.92 1.01 0.75 -1.83 120.40 130.11 2wo0 s VAL 681 Ca 0.01 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.35 2wo0 s VAL 681 Cb -0.13 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2wo0 s VAL 681 CO -0.05 0.58 -0.15 0.26 0.00 0.00 0.00 175.10 175.74 2wo0 s TRP 682 N -0.82 2.17 -0.24 5.22 0.52 0.74 0.40 118.94 126.93 2wo0 s TRP 682 Ca 0.16 -1.16 -0.08 0.00 0.02 0.00 0.00 56.10 55.04 2wo0 s TRP 682 Cb -0.13 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 2wo0 s TRP 682 CO 0.05 -0.62 0.09 -1.64 0.02 0.00 0.00 176.95 174.85 2wo0 s MET 683 N 1.29 3.78 -0.22 4.98 -1.94 0.02 -1.11 119.30 126.10 2wo0 s MET 683 Ca 0.01 -0.42 -0.08 0.00 -1.71 0.00 0.00 55.69 53.49 2wo0 s MET 683 Cb -0.14 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 2wo0 s MET 683 CO -0.08 -0.07 0.08 0.99 -0.01 0.00 0.00 175.02 175.93 2wo0 s THR 684 N 1.33 4.68 0.03 2.05 2.01 0.52 -0.84 115.64 125.41 2wo0 s THR 684 Ca 0.05 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2wo0 s THR 684 Cb -0.15 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 2wo0 s THR 684 CO 0.04 0.38 -0.07 0.28 -0.69 0.00 0.00 174.62 174.56 2wo0 s THR 685 N 1.04 0.54 0.18 -0.82 -1.32 -0.57 -4.44 115.64 110.24 2wo0 s THR 685 Ca 0.05 -0.83 -0.17 0.00 -1.21 0.00 0.00 61.69 59.52 2wo0 s THR 685 Cb -0.14 -0.56 0.03 0.00 -1.51 0.00 0.00 72.50 70.33 2wo0 s THR 685 CO 0.03 -0.22 0.50 -0.83 -2.21 0.00 0.00 174.62 171.89 2wo0 s GLY 686 N -1.14 -0.16 0.24 6.08 0.00 -1.26 -0.87 107.32 110.21 2wo0 s GLY 686 Ca -0.06 -0.14 0.11 0.00 0.00 0.00 0.00 44.72 44.63 2wo0 s GLY 686 CO 0.00 -0.25 -0.19 -0.51 0.00 0.00 0.00 173.10 172.15 2wo0 s THR 687 N -3.85 2.25 -0.28 0.90 -4.23 0.31 -1.85 115.64 108.89 2wo0 s THR 687 Ca 0.07 -2.27 -0.06 0.00 -1.18 0.00 0.00 61.69 58.25 2wo0 s THR 687 Cb -0.00 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.66 2wo0 s THR 687 CO -0.06 -0.40 0.05 -0.89 -0.54 0.00 0.00 174.62 172.78 2wo0 s THR 688 N -2.45 3.75 -0.45 3.99 2.01 -0.14 -1.54 115.64 120.81 2wo0 s THR 688 Ca 0.26 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.40 2wo0 s THR 688 Cb -0.05 -2.90 0.05 0.00 0.01 0.00 0.00 72.50 69.62 2wo0 s THR 688 CO 0.12 0.14 0.36 -2.28 -0.69 0.00 0.00 174.62 172.27 2wo0 s HIS 689 N 1.47 3.24 -0.26 4.92 5.04 0.30 -4.08 115.29 125.92 2wo0 s HIS 689 Ca 0.03 -0.79 -0.10 0.00 -1.54 0.00 0.00 55.06 52.65 2wo0 s HIS 689 Cb -0.17 -2.95 -0.05 0.00 0.04 0.00 0.00 32.58 29.45 2wo0 s HIS 689 CO 0.01 -0.72 0.16 0.08 -2.34 0.00 0.00 174.74 171.93 2wo0 s VAL 690 N 1.67 5.21 0.76 0.89 1.01 -1.26 -3.12 120.40 125.55 2wo0 s VAL 690 Ca 0.05 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 2wo0 s VAL 690 Cb -0.22 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.75 2wo0 s VAL 690 CO 0.08 0.30 1.08 0.00 0.00 0.00 0.00 175.10 176.56 2wo0 s ALA 691 N 1.43 2.37 0.26 5.51 0.00 -1.26 -5.03 121.76 125.04 2wo0 s ALA 691 Ca 0.07 0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.03 2wo0 s ALA 691 Cb -0.15 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2wo0 s ALA 691 CO 0.07 -1.59 0.43 -0.98 0.00 0.00 0.00 175.76 173.70 2wo0 s ARG 692 N -5.00 1.56 0.27 0.00 1.70 -1.26 -4.68 118.95 111.54 2wo0 s ARG 692 Ca 0.60 -1.38 0.11 0.00 -0.47 0.00 0.00 55.73 54.59 2wo0 s ARG 692 Cb -0.16 0.44 0.34 0.00 -0.57 0.00 0.00 34.95 35.01 2wo0 s ARG 692 CO 0.55 -0.63 1.60 0.00 -1.08 0.00 0.00 175.30 175.74 2wo0 h ALA 693 N 2.29 0.92 0.00 7.88 0.00 -1.88 -1.36 119.26 127.10 2wo0 h ALA 693 Ca -0.28 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2wo0 h ALA 693 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2wo0 h ALA 693 CO 0.39 0.77 0.18 0.39 0.00 0.00 0.00 179.25 180.98 2wo0 n GLU 694 N -3.72 0.10 -0.45 0.00 4.71 -1.26 -1.44 120.64 118.57 2wo0 n GLU 694 Ca -0.01 0.57 0.09 0.00 -0.01 0.00 0.00 57.16 57.80 2wo0 n GLU 694 Cb 0.63 -1.99 0.29 0.00 -1.01 0.00 0.00 31.44 29.36 2wo0 n GLU 694 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wo0 n GLU 695 N -2.04 3.29 -4.26 3.49 1.02 -0.51 -4.60 120.64 117.02 2wo0 n GLU 695 Ca -0.01 -2.66 -0.20 0.00 -0.02 0.00 0.00 57.16 54.27 2wo0 n GLU 695 Cb 0.20 -1.69 -0.16 0.00 -0.02 0.00 0.00 31.44 29.77 2wo0 n GLU 695 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2wo0 s TRP 696 N -1.66 0.83 -1.75 -0.32 -0.11 -0.52 -3.15 118.94 112.26 2wo0 s TRP 696 Ca 0.43 -0.23 0.29 0.00 1.22 0.00 0.00 56.10 57.81 2wo0 s TRP 696 Cb 0.27 -0.67 1.30 0.00 -1.50 0.00 0.00 33.47 32.87 2wo0 s TRP 696 CO 0.22 -0.16 1.90 -0.35 -4.62 0.00 0.00 176.95 173.94 2wo0 n PRO 697 N 3.74 0.79 -3.90 5.86 -0.04 -1.26 -5.01 135.00 135.18 2wo0 n PRO 697 Ca -0.23 -0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 62.84 2wo0 n PRO 697 Cb 0.52 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 2wo0 n PRO 697 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2wo0 s ILE 698 N -2.38 0.06 -0.32 0.52 2.07 -1.22 -4.67 121.20 115.25 2wo0 s ILE 698 Ca 0.32 -0.01 -0.17 0.00 -1.41 0.00 0.00 60.65 59.38 2wo0 s ILE 698 Cb 0.20 -0.07 -0.01 0.00 0.13 0.00 0.00 42.46 42.71 2wo0 s ILE 698 CO 0.45 0.03 0.45 -0.32 -1.91 0.00 0.00 174.94 173.64 2wo0 s MET 699 N 0.11 3.75 0.17 3.50 -2.45 0.20 -4.54 119.30 120.05 2wo0 s MET 699 Ca -0.01 -0.11 -0.33 0.00 -1.25 0.00 0.00 55.69 53.99 2wo0 s MET 699 Cb -0.02 -3.76 -0.16 0.00 1.25 0.00 0.00 34.83 32.15 2wo0 s MET 699 CO -0.00 -0.51 1.18 -2.30 1.05 0.00 0.00 175.02 174.44 2wo0 n PRO 700 N 5.56 1.19 -1.72 4.11 -0.02 -1.26 -3.60 135.00 139.26 2wo0 n PRO 700 Ca -0.06 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 2wo0 n PRO 700 Cb 0.49 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 2wo0 n PRO 700 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2wo0 n THR 701 N 1.58 0.69 -5.13 3.45 -1.04 -1.26 -4.79 114.28 107.78 2wo0 n THR 701 Ca 0.15 -0.17 -0.32 0.00 -2.04 0.00 0.00 64.05 61.67 2wo0 n THR 701 Cb 0.24 -1.83 -0.15 0.00 -1.82 0.00 0.00 70.33 66.78 2wo0 n THR 701 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wo0 s GLU 702 N 0.01 2.33 0.04 -2.82 0.41 -0.29 -4.89 118.70 113.50 2wo0 s GLU 702 Ca 0.69 -0.83 0.08 0.00 -0.41 0.00 0.00 54.97 54.50 2wo0 s GLU 702 Cb -0.55 -2.20 -0.03 0.00 -1.78 0.00 0.00 34.13 29.58 2wo0 s GLU 702 CO 0.44 0.56 -0.24 -1.58 -0.49 0.00 0.00 175.26 173.96 2wo0 s TRP 703 N -0.60 2.40 0.20 1.61 0.52 -1.26 -1.15 118.94 120.66 2wo0 s TRP 703 Ca 0.09 -0.36 0.10 0.00 0.02 0.00 0.00 56.10 55.95 2wo0 s TRP 703 Cb -0.11 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 2wo0 s TRP 703 CO 0.00 0.16 -0.15 0.14 0.02 0.00 0.00 176.95 177.12 2wo0 s VAL 704 N -0.83 2.86 -0.02 4.03 -7.23 -0.59 -0.13 120.40 118.49 2wo0 s VAL 704 Ca 0.12 -1.87 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2wo0 s VAL 704 Cb -0.10 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 2wo0 s VAL 704 CO 0.03 -0.15 -0.12 -1.00 -0.31 0.00 0.00 175.10 173.54 2wo0 s HIS 705 N -1.80 1.15 0.26 2.82 0.09 0.07 -2.17 115.29 115.71 2wo0 s HIS 705 Ca 0.24 -0.25 0.02 0.00 -0.00 0.00 0.00 55.06 55.07 2wo0 s HIS 705 Cb -0.08 -0.77 -0.05 0.00 -0.00 0.00 0.00 32.58 31.68 2wo0 s HIS 705 CO 0.14 -0.06 0.08 0.95 -0.00 0.00 0.00 174.74 175.85 2wo0 s THR 706 N -0.12 0.66 -0.22 1.30 -4.23 -0.44 0.31 115.64 112.89 2wo0 s THR 706 Ca 0.02 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.29 2wo0 s THR 706 Cb -0.07 -2.60 0.06 0.00 1.34 0.00 0.00 72.50 71.24 2wo0 s THR 706 CO 0.00 -0.06 0.66 -0.22 -0.54 0.00 0.00 174.62 174.47 2wo0 s LEU 707 N -3.32 -0.54 -0.20 4.79 2.96 -0.57 -1.82 118.68 119.98 2wo0 s LEU 707 Ca 0.36 1.24 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 2wo0 s LEU 707 Cb 0.08 2.30 0.04 0.00 0.50 0.00 0.00 46.19 49.11 2wo0 s LEU 707 CO 0.13 -0.28 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.02 2wo0 s LEU 708 N 0.13 2.22 -0.07 -0.68 1.43 0.11 -0.61 118.68 121.22 2wo0 s LEU 708 Ca -0.02 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.25 2wo0 s LEU 708 Cb -0.04 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 2wo0 s LEU 708 CO 0.02 -0.15 -0.17 -0.54 0.23 0.00 0.00 176.35 175.74 2wo0 s LYS 709 N 1.42 2.71 0.39 1.70 1.02 -0.14 -1.42 119.74 125.41 2wo0 s LYS 709 Ca -0.01 -0.75 -0.27 0.00 0.02 0.00 0.00 55.97 54.96 2wo0 s LYS 709 Cb -0.16 -2.37 -0.10 0.00 -0.52 0.00 0.00 37.83 34.68 2wo0 s LYS 709 CO -0.08 0.47 1.40 -1.25 -0.92 0.00 0.00 175.35 174.97 2wo0 s PRO 710 N -0.34 4.03 -0.38 -1.68 0.04 -1.26 0.42 135.00 135.83 2wo0 s PRO 710 Ca 0.03 2.38 0.02 0.00 0.04 0.00 0.00 61.00 63.46 2wo0 s PRO 710 Cb -0.13 -2.87 0.11 0.00 0.04 0.00 0.00 34.50 31.66 2wo0 s PRO 710 CO 0.02 -0.52 0.15 -0.46 0.04 0.00 0.00 177.00 176.23 2wo0 s TRP 711 N -1.17 2.41 -1.68 0.56 -0.11 0.17 -4.70 118.94 114.42 2wo0 s TRP 711 Ca 0.55 -2.40 0.00 0.00 1.22 0.00 0.00 56.10 55.47 2wo0 s TRP 711 Cb -0.43 -2.16 0.00 0.00 -1.50 0.00 0.00 33.47 29.38 2wo0 s TRP 711 CO 0.57 -0.85 0.00 0.09 -4.62 0.00 0.00 176.95 172.14 2wo0 n ASN 712 N 4.12 -5.14 0.11 5.86 3.02 -1.26 -1.84 115.26 120.11 2wo0 n ASN 712 Ca 0.03 0.20 -0.04 0.00 -0.03 0.00 0.00 54.58 54.74 2wo0 n ASN 712 Cb 0.39 -4.21 0.05 0.00 -0.61 0.00 0.00 39.78 35.40 2wo0 n ASN 712 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2wo0 h PHE 713 N 0.00 0.01 -1.30 3.10 3.57 -1.84 -3.33 116.94 117.14 2wo0 h PHE 713 Ca -0.39 -0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.52 2wo0 h PHE 713 Cb 1.23 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.88 2wo0 h PHE 713 CO 0.48 0.78 -0.48 -0.06 -2.23 0.00 0.00 178.31 176.80 2wo0 s PHE 714 N -3.25 2.37 -2.98 0.41 0.08 -1.26 -4.86 117.98 108.49 2wo0 s PHE 714 Ca -0.00 -0.68 0.24 0.00 0.12 0.00 0.00 56.93 56.61 2wo0 s PHE 714 Cb 0.12 -1.90 0.23 0.00 -0.57 0.00 0.00 43.02 40.89 2wo0 s PHE 714 CO 0.79 0.12 1.28 -0.25 -0.10 0.00 0.00 175.22 177.06 2wo0 n ASP 715 N -1.29 2.95 0.00 1.36 8.00 -1.26 -4.82 116.55 121.48 2wo0 n ASP 715 Ca -0.04 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.48 2wo0 n ASP 715 Cb 0.65 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2wo0 n ASP 715 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2wo0 n GLU 716 N 1.31 0.00 -0.76 -1.24 0.28 -1.26 -4.96 120.64 114.01 2wo0 n GLU 716 Ca 0.14 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.81 2wo0 n GLU 716 Cb 0.59 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.40 2wo0 n GLU 716 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2wo0 n THR 717 N -0.10 0.00 0.98 3.84 -1.04 -1.26 -4.81 114.28 111.89 2wo0 n THR 717 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 2wo0 n THR 717 Cb 0.00 -0.26 0.60 0.00 -1.82 0.00 0.00 70.33 68.85 2wo0 n THR 717 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wo0 n PRO 718 N 3.26 0.01 0.00 -2.82 -0.02 -1.26 -3.23 135.00 130.94 2wo0 n PRO 718 Ca 0.24 0.02 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 2wo0 n PRO 718 Cb -0.03 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 2wo0 n PRO 718 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wo0 n THR 719 N -1.49 0.00 0.05 3.45 -2.24 -1.26 -4.32 114.28 108.47 2wo0 n THR 719 Ca 0.07 -0.14 0.21 0.00 -2.27 0.00 0.00 64.05 61.92 2wo0 n THR 719 Cb 0.33 1.08 0.73 0.00 -2.10 0.00 0.00 70.33 70.36 2wo0 n THR 719 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wo0 h LEU 720 N 1.35 0.00 0.00 3.22 3.38 -1.94 -3.48 115.31 117.85 2wo0 h LEU 720 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wo0 h LEU 720 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2wo0 h LEU 720 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2wo0 n GLY 721 N -1.52 1.75 3.78 0.83 0.00 -1.26 -5.02 105.19 103.74 2wo0 n GLY 721 Ca 0.09 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 2wo0 n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wo0 s ALA 722 N -2.44 2.42 0.51 4.61 0.00 -1.26 -5.05 121.76 120.55 2wo0 s ALA 722 Ca 0.00 0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.15 2wo0 s ALA 722 Cb 0.00 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 2wo0 s ALA 722 CO 0.00 -1.44 1.00 -0.51 0.00 0.00 0.00 175.76 174.81 2wo0 s LEU 723 N -5.36 3.68 0.00 0.00 1.43 -1.26 -4.98 118.68 112.18 2wo0 s LEU 723 Ca 0.63 1.70 0.28 0.00 -1.03 0.00 0.00 54.13 55.71 2wo0 s LEU 723 Cb -0.18 -4.53 1.65 0.00 0.03 0.00 0.00 46.19 43.16 2wo0 s LEU 723 CO 0.49 -0.71 2.00 0.29 0.23 0.00 0.00 176.35 178.65 2wo0 n LYS 724 N -1.44 0.84 0.00 1.70 5.02 -1.26 -5.28 118.16 117.74 2wo0 n LYS 724 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2wo0 n LYS 724 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2wo0 n LYS 724 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05