#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dya s ILE 2 N 0.00 1.23 0.27 4.25 1.01 -1.26 -4.12 121.20 122.58 3dya s ILE 2 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 3dya s ILE 2 Cb 0.00 -1.19 -0.13 0.00 0.01 0.00 0.00 42.46 41.15 3dya s ILE 2 CO 0.00 0.40 1.30 -0.24 0.00 0.00 0.00 174.94 176.39 3dya n SER 3 N 4.68 2.44 0.00 3.58 2.88 -0.16 -4.75 113.62 122.29 3dya n SER 3 Ca -0.16 1.17 0.10 0.00 -1.33 0.00 0.00 58.87 58.65 3dya n SER 3 Cb 0.50 -1.41 0.45 0.00 -0.75 0.00 0.00 64.21 63.00 3dya n SER 3 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3dya n PRO 4 N 1.36 0.10 -1.51 -1.46 -0.04 -1.26 -4.50 135.00 127.69 3dya n PRO 4 Ca 0.09 0.14 -0.45 0.00 -0.04 0.00 0.00 63.50 63.24 3dya n PRO 4 Cb 0.32 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 3dya n PRO 4 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3dya n ILE 5 N -1.43 1.96 -0.81 0.52 0.00 -1.26 -4.90 119.36 113.44 3dya n ILE 5 Ca 0.06 -0.50 -0.32 0.00 0.00 0.00 0.00 62.75 62.00 3dya n ILE 5 Cb 0.21 -0.63 0.16 0.00 0.00 0.00 0.00 39.64 39.38 3dya n ILE 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3dya s GLU 6 N -1.41 1.18 0.49 9.51 -1.05 -1.26 -4.85 118.70 121.32 3dya s GLU 6 Ca 0.61 1.60 -0.05 0.00 -0.15 0.00 0.00 54.97 56.98 3dya s GLU 6 Cb -0.75 -1.74 -0.03 0.00 -0.44 0.00 0.00 34.13 31.17 3dya s GLU 6 CO 0.58 -2.52 0.80 0.95 0.95 0.00 0.00 175.26 176.02 3dya s THR 7 N -2.53 4.76 -0.23 1.83 -4.23 -1.26 -5.00 115.64 108.99 3dya s THR 7 Ca 0.68 0.18 -0.17 0.00 -1.18 0.00 0.00 61.69 61.21 3dya s THR 7 Cb -0.24 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.75 3dya s THR 7 CO 0.56 -0.81 0.44 -0.69 -0.54 0.00 0.00 174.62 173.58 3dya s VAL 8 N -2.77 5.15 0.28 2.29 1.01 -1.26 -5.00 120.40 120.09 3dya s VAL 8 Ca 0.48 0.76 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 3dya s VAL 8 Cb -0.10 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 3dya s VAL 8 CO 0.45 0.18 1.31 -2.16 0.00 0.00 0.00 175.10 174.88 3dya s PRO 9 N 1.76 4.38 -0.01 2.72 0.04 -1.26 -4.26 135.00 138.36 3dya s PRO 9 Ca 0.20 2.15 0.01 0.00 0.04 0.00 0.00 61.00 63.39 3dya s PRO 9 Cb -0.15 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.28 3dya s PRO 9 CO 0.09 -0.20 -0.02 0.08 0.04 0.00 0.00 177.00 176.99 3dya s VAL 10 N -0.64 0.20 0.23 -0.36 1.01 -1.26 -5.10 120.40 114.49 3dya s VAL 10 Ca 0.52 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.58 3dya s VAL 10 Cb -0.38 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 3dya s VAL 10 CO 0.46 0.10 -0.21 -0.54 0.00 0.00 0.00 175.10 174.91 3dya s LYS 11 N 0.39 1.56 0.78 2.72 1.02 -1.26 -4.72 119.74 120.24 3dya s LYS 11 Ca -0.04 -1.64 -0.12 0.00 0.02 0.00 0.00 55.97 54.20 3dya s LYS 11 Cb -0.06 -1.72 0.06 0.00 -0.52 0.00 0.00 37.83 35.59 3dya s LYS 11 CO -0.01 0.34 1.14 -0.51 -0.92 0.00 0.00 175.35 175.40 3dya s LEU 12 N -3.11 2.61 0.36 3.17 1.43 -1.26 -1.54 118.68 120.33 3dya s LEU 12 Ca 0.25 0.96 -0.27 0.00 -1.03 0.00 0.00 54.13 54.03 3dya s LEU 12 Cb -0.06 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 3dya s LEU 12 CO 0.12 -1.76 1.19 -0.54 0.23 0.00 0.00 176.35 175.58 3dya s LYS 13 N -5.45 4.27 0.20 1.70 1.02 -0.03 -4.50 119.74 116.95 3dya s LYS 13 Ca 0.61 1.92 -0.04 0.00 0.02 0.00 0.00 55.97 58.48 3dya s LYS 13 Cb -0.12 -2.89 0.35 0.00 -0.52 0.00 0.00 37.83 34.66 3dya s LYS 13 CO 0.51 -0.16 1.07 -2.30 -0.92 0.00 0.00 175.35 173.55 3dya n PRO 14 N 0.51 -0.06 -0.61 -1.68 -0.02 -1.26 -0.44 135.00 131.44 3dya n PRO 14 Ca 0.02 1.06 0.07 0.00 -2.02 0.00 0.00 63.50 62.64 3dya n PRO 14 Cb 0.45 -1.61 0.32 0.00 -0.02 0.00 0.00 33.50 32.64 3dya n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dya n GLY 15 N -1.42 2.46 3.28 -1.23 0.00 -1.26 -4.97 105.19 102.05 3dya n GLY 15 Ca 0.12 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 3dya n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dya s MET 16 N -2.03 2.26 0.47 1.61 -1.94 0.42 -5.13 119.30 114.96 3dya s MET 16 Ca 0.44 -0.90 0.00 0.00 -1.71 0.00 0.00 55.69 53.53 3dya s MET 16 Cb 0.30 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 35.10 3dya s MET 16 CO 0.18 0.47 0.70 0.34 -0.01 0.00 0.00 175.02 176.70 3dya s ASP 17 N -0.40 5.73 0.99 3.03 2.15 -1.26 -4.65 116.67 122.26 3dya s ASP 17 Ca 0.04 0.25 -0.12 0.00 0.43 0.00 0.00 52.55 53.15 3dya s ASP 17 Cb -0.11 -1.42 0.19 0.00 -0.30 0.00 0.00 42.92 41.27 3dya s ASP 17 CO 0.01 -0.79 1.08 -0.83 -0.17 0.00 0.00 175.17 174.47 3dya s GLY 18 N -4.26 1.59 0.36 2.66 0.00 -1.26 -4.98 107.32 101.43 3dya s GLY 18 Ca 0.50 -0.13 -0.26 0.00 0.00 0.00 0.00 44.72 44.84 3dya s GLY 18 CO 0.38 0.45 1.07 2.56 0.00 0.00 0.00 173.10 177.56 3dya s PRO 19 N -4.82 4.32 -0.52 2.90 0.04 -1.26 -4.96 135.00 130.70 3dya s PRO 19 Ca 0.65 1.63 0.06 0.00 0.04 0.00 0.00 61.00 63.39 3dya s PRO 19 Cb -0.20 -2.77 0.23 0.00 0.04 0.00 0.00 34.50 31.80 3dya s PRO 19 CO 0.59 -0.03 0.58 1.63 0.04 0.00 0.00 177.00 179.80 3dya n LYS 20 N 0.37 1.41 -4.03 4.56 4.76 -1.24 -0.98 118.16 123.01 3dya n LYS 20 Ca 0.03 -3.87 -0.36 0.00 -2.87 0.00 0.00 58.31 51.24 3dya n LYS 20 Cb 0.48 -1.76 -0.07 0.00 -1.84 0.00 0.00 35.03 31.83 3dya n LYS 20 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3dya s VAL 21 N -1.52 5.10 -0.11 -0.18 1.01 -0.04 -4.84 120.40 119.82 3dya s VAL 21 Ca 0.35 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.15 3dya s VAL 21 Cb 0.12 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3dya s VAL 21 CO -0.09 0.59 0.72 -0.75 0.00 0.00 0.00 175.10 175.57 3dya s LYS 22 N -0.80 4.37 -0.15 2.72 2.20 -1.26 -4.18 119.74 122.65 3dya s LYS 22 Ca 0.13 0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 56.32 3dya s LYS 22 Cb -0.12 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 3dya s LYS 22 CO 0.03 -0.07 1.56 -1.14 -0.36 0.00 0.00 175.35 175.36 3dya s GLN 23 N 1.28 4.02 0.25 4.03 2.00 -1.26 -4.82 119.66 125.15 3dya s GLN 23 Ca 0.36 1.84 -0.30 0.00 -2.00 0.00 0.00 55.36 55.27 3dya s GLN 23 Cb -0.17 -3.96 -0.10 0.00 0.80 0.00 0.00 33.01 29.58 3dya s GLN 23 CO 0.16 -1.02 1.35 -0.46 -0.50 0.00 0.00 175.29 174.81 3dya s TRP 24 N 4.44 3.14 0.42 1.67 -0.11 -1.26 -4.99 118.94 122.26 3dya s TRP 24 Ca 0.69 1.21 -0.26 0.00 1.22 0.00 0.00 56.10 58.96 3dya s TRP 24 Cb -0.27 -3.68 -0.09 0.00 -1.50 0.00 0.00 33.47 27.93 3dya s TRP 24 CO 0.26 -2.10 1.39 -2.14 -4.62 0.00 0.00 176.95 169.74 3dya s PRO 25 N -0.63 3.84 0.18 5.86 0.02 -1.26 -4.93 135.00 138.08 3dya s PRO 25 Ca 0.55 2.35 0.11 0.00 0.02 0.00 0.00 61.00 64.04 3dya s PRO 25 Cb -0.39 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 3dya s PRO 25 CO 0.43 -0.67 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.70 3dya s LEU 26 N -2.53 2.50 0.64 -5.54 1.43 -1.26 -5.08 118.68 108.84 3dya s LEU 26 Ca 0.58 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 3dya s LEU 26 Cb -0.42 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 3dya s LEU 26 CO 0.55 0.13 0.68 1.07 0.23 0.00 0.00 176.35 179.01 3dya n THR 27 N 0.33 2.56 -0.32 5.49 5.66 -1.26 -4.71 114.28 122.03 3dya n THR 27 Ca -0.13 -0.45 -0.03 0.00 -3.05 0.00 0.00 64.05 60.39 3dya n THR 27 Cb 0.55 -0.86 0.10 0.00 -1.55 0.00 0.00 70.33 68.57 3dya n THR 27 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 3dya h GLU 28 N 0.04 1.10 -0.60 1.09 5.08 -1.99 -1.64 114.58 117.66 3dya h GLU 28 Ca -0.46 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 3dya h GLU 28 Cb 1.37 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3dya h GLU 28 CO 0.46 0.73 0.20 0.93 -1.00 0.00 0.00 179.01 180.34 3dya h GLU 29 N 1.13 0.92 -0.30 2.33 5.08 -1.99 -1.16 114.58 120.59 3dya h GLU 29 Ca 0.33 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3dya h GLU 29 Cb -0.08 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3dya h GLU 29 CO -0.09 0.81 0.05 0.87 -1.00 0.00 0.00 179.01 179.65 3dya h LYS 30 N 0.84 0.49 -0.68 2.33 1.57 -1.88 -0.47 116.57 118.77 3dya h LYS 30 Ca 0.19 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3dya h LYS 30 Cb 0.26 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 3dya h LYS 30 CO -0.01 0.59 0.39 0.82 -0.57 0.00 0.00 179.45 180.67 3dya h ILE 31 N 0.32 1.01 -0.18 1.86 2.04 -1.08 -0.40 117.51 121.08 3dya h ILE 31 Ca 0.09 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3dya h ILE 31 Cb 0.33 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3dya h ILE 31 CO 0.00 0.13 -0.00 0.50 0.00 0.00 0.00 178.15 178.78 3dya h LYS 32 N 0.74 0.31 -0.44 2.37 3.64 -1.07 -0.62 116.57 121.50 3dya h LYS 32 Ca 0.29 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 3dya h LYS 32 Cb 0.14 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 3dya h LYS 32 CO -0.16 0.53 0.21 0.00 -2.27 0.00 0.00 179.45 177.76 3dya h ALA 33 N 0.77 0.55 -0.41 5.00 0.00 -0.79 -1.33 119.26 123.04 3dya h ALA 33 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dya h ALA 33 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3dya h ALA 33 CO 0.01 -0.15 0.23 -0.07 0.00 0.00 0.00 179.25 179.27 3dya h LEU 34 N 0.42 0.50 -0.45 0.00 3.38 -0.93 0.21 115.31 118.45 3dya h LEU 34 Ca 0.19 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3dya h LEU 34 Cb 0.11 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3dya h LEU 34 CO -0.14 0.44 0.22 0.58 0.09 0.00 0.00 178.44 179.62 3dya h VAL 35 N 0.53 0.96 -0.23 1.22 2.07 -0.70 0.28 116.25 120.38 3dya h VAL 35 Ca 0.15 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3dya h VAL 35 Cb 0.04 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3dya h VAL 35 CO -0.02 0.08 0.09 -0.08 0.02 0.00 0.00 177.57 177.65 3dya h GLU 36 N 0.44 0.34 -0.43 1.57 4.81 -1.03 -0.57 114.58 119.72 3dya h GLU 36 Ca 0.20 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3dya h GLU 36 Cb 0.11 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3dya h GLU 36 CO -0.14 0.40 0.23 0.82 -0.73 0.00 0.00 179.01 179.58 3dya h ILE 37 N 0.21 0.99 -0.24 2.32 2.04 -0.47 -2.87 117.51 119.50 3dya h ILE 37 Ca 0.08 -0.16 -0.15 0.00 1.00 0.00 0.00 64.86 65.63 3dya h ILE 37 Cb 0.19 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3dya h ILE 37 CO -0.01 0.08 -0.46 0.00 0.00 0.00 0.00 178.15 177.77 3dya h THR 39 N 0.50 0.89 -0.58 0.00 2.02 -1.07 0.20 112.91 114.87 3dya h THR 39 Ca 0.03 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 3dya h THR 39 Cb 1.00 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3dya h THR 39 CO 0.09 0.03 0.20 -0.08 0.37 0.00 0.00 175.52 176.14 3dya h GLU 40 N 0.19 0.89 -0.48 6.66 4.81 -1.38 -2.01 114.58 123.25 3dya h GLU 40 Ca 0.13 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3dya h GLU 40 Cb 0.12 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3dya h GLU 40 CO -0.16 0.79 0.16 0.52 -0.73 0.00 0.00 179.01 179.59 3dya h MET 41 N 0.81 0.74 -0.86 1.92 2.86 -1.24 -2.85 114.93 116.32 3dya h MET 41 Ca 0.19 -0.15 0.11 0.00 -2.06 0.00 0.00 59.70 57.79 3dya h MET 41 Cb 0.25 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.72 3dya h MET 41 CO -0.01 0.69 0.49 1.49 1.06 0.00 0.00 176.91 180.63 3dya h GLU 42 N 0.64 0.76 0.00 1.72 4.81 -0.40 -1.48 114.58 120.62 3dya h GLU 42 Ca 0.16 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3dya h GLU 42 Cb 0.25 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3dya h GLU 42 CO -0.01 0.50 0.00 1.63 -0.73 0.00 0.00 179.01 180.40 3dya n LYS 43 N -4.76 0.17 0.00 1.92 5.02 -0.77 -2.46 118.16 117.28 3dya n LYS 43 Ca 0.15 0.32 0.11 0.00 -2.02 0.00 0.00 58.31 56.87 3dya n LYS 43 Cb 0.33 -1.77 0.06 0.00 -0.02 0.00 0.00 35.03 33.63 3dya n LYS 43 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3dya n GLU 44 N -2.08 1.91 -0.05 1.97 1.02 -0.61 -4.97 120.64 117.83 3dya n GLU 44 Ca 0.04 -1.58 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 3dya n GLU 44 Cb 0.28 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3dya n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dya n GLY 45 N 1.36 0.79 0.21 0.62 0.00 -0.99 -4.90 105.19 102.27 3dya n GLY 45 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3dya n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dya h LYS 46 N 3.62 0.65 -5.53 1.61 1.79 -1.65 -3.41 116.57 113.65 3dya h LYS 46 Ca 0.00 -0.06 -0.47 0.00 -2.18 0.00 0.00 60.65 57.94 3dya h LYS 46 Cb 0.00 -0.14 -0.14 0.00 -1.58 0.00 0.00 32.23 30.37 3dya h LYS 46 CO 0.00 0.48 -0.71 0.96 -1.08 0.00 0.00 179.45 179.10 3dya s ILE 47 N -5.98 1.68 -0.01 1.86 -4.36 -1.24 0.47 121.20 113.62 3dya s ILE 47 Ca -0.13 -2.17 0.00 0.00 -0.26 0.00 0.00 60.65 58.09 3dya s ILE 47 Cb 0.12 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.61 3dya s ILE 47 CO 0.74 -0.46 0.01 -0.44 0.24 0.00 0.00 174.94 175.04 3dya s SER 48 N -3.37 0.03 0.33 4.36 0.01 -0.35 -4.29 113.70 110.42 3dya s SER 48 Ca 0.26 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.25 3dya s SER 48 Cb 0.01 -0.03 -0.11 0.00 0.21 0.00 0.00 66.02 66.11 3dya s SER 48 CO 0.09 -0.05 1.40 -0.54 0.41 0.00 0.00 173.24 174.55 3dya s LYS 49 N 0.43 4.25 0.19 12.44 1.02 -1.26 -1.33 119.74 135.48 3dya s LYS 49 Ca -0.04 2.36 0.08 0.00 0.02 0.00 0.00 55.97 58.39 3dya s LYS 49 Cb -0.05 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 3dya s LYS 49 CO -0.01 -0.35 -0.16 0.96 -0.92 0.00 0.00 175.35 174.87 3dya s ILE 50 N -0.88 1.76 1.30 2.17 -4.36 -0.79 -4.90 121.20 115.50 3dya s ILE 50 Ca 0.53 -2.08 -0.22 0.00 -0.26 0.00 0.00 60.65 58.62 3dya s ILE 50 Cb -0.43 -1.94 0.33 0.00 1.25 0.00 0.00 42.46 41.67 3dya s ILE 50 CO 0.54 -0.48 1.07 -0.83 0.24 0.00 0.00 174.94 175.48 3dya s GLY 51 N -3.04 1.54 0.27 6.27 0.00 -1.26 -4.69 107.32 106.42 3dya s GLY 51 Ca 0.19 -1.06 0.23 0.00 0.00 0.00 0.00 44.72 44.08 3dya s GLY 51 CO 0.07 -0.08 1.30 -0.56 0.00 0.00 0.00 173.10 173.82 3dya h PRO 52 N -2.94 0.00 -0.86 2.90 0.13 -2.01 -3.32 132.00 125.90 3dya h PRO 52 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 3dya h PRO 52 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 3dya h PRO 52 CO 0.27 0.00 0.52 1.05 -0.23 0.00 0.00 178.00 179.60 3dya h GLU 53 N 0.00 1.17 -6.14 0.86 4.11 -2.04 -3.42 114.58 109.12 3dya h GLU 53 Ca 0.00 -0.11 -0.63 0.00 0.07 0.00 0.00 59.36 58.69 3dya h GLU 53 Cb 0.96 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.97 3dya h GLU 53 CO 0.00 0.83 1.24 -1.71 0.07 0.00 0.00 179.01 179.43 3dya n ASN 54 N -4.42 3.00 -0.25 3.06 2.85 -1.25 -4.87 115.26 113.39 3dya n ASN 54 Ca 0.09 0.71 0.13 0.00 -0.11 0.00 0.00 54.58 55.40 3dya n ASN 54 Cb 0.06 -1.36 0.46 0.00 1.24 0.00 0.00 39.78 40.18 3dya n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3dya n PRO 55 N 7.34 0.95 -3.45 1.20 -0.04 -1.26 -4.96 135.00 134.77 3dya n PRO 55 Ca 0.29 -0.51 -0.32 0.00 -0.04 0.00 0.00 63.50 62.92 3dya n PRO 55 Cb 0.29 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 3dya n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dya s TYR 56 N -2.40 3.44 -0.06 0.54 2.02 -1.26 -4.75 117.35 114.88 3dya s TYR 56 Ca 0.28 0.84 -0.19 0.00 -0.37 0.00 0.00 57.07 57.63 3dya s TYR 56 Cb 0.20 -2.23 0.04 0.00 -0.40 0.00 0.00 41.96 39.57 3dya s TYR 56 CO 0.48 0.30 0.42 1.21 -1.57 0.00 0.00 175.55 176.39 3dya s ASN 57 N -2.33 -0.36 -0.03 2.29 2.47 -0.16 -4.62 114.94 112.20 3dya s ASN 57 Ca 0.46 0.41 0.02 0.00 0.42 0.00 0.00 52.86 54.18 3dya s ASN 57 Cb -0.11 0.50 0.00 0.00 -1.45 0.00 0.00 41.25 40.19 3dya s ASN 57 CO 0.21 -0.42 -0.09 -0.89 -3.72 0.00 0.00 177.10 172.20 3dya s THR 58 N -0.94 0.80 0.32 -5.21 2.01 -0.01 -0.86 115.64 111.76 3dya s THR 58 Ca -0.10 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 3dya s THR 58 Cb -0.04 -0.71 -0.12 0.00 0.01 0.00 0.00 72.50 71.64 3dya s THR 58 CO 0.05 0.25 1.31 -2.65 -0.69 0.00 0.00 174.62 172.89 3dya n PRO 59 N 3.32 2.11 -4.46 4.92 -0.02 -1.26 -4.30 135.00 135.30 3dya n PRO 59 Ca -0.18 0.74 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 3dya n PRO 59 Cb 0.54 -2.33 -0.12 0.00 -0.02 0.00 0.00 33.50 31.57 3dya n PRO 59 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3dya s VAL 60 N -0.91 2.78 0.16 -1.45 -7.23 -1.26 -2.07 120.40 110.41 3dya s VAL 60 Ca 0.58 -1.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 3dya s VAL 60 Cb -0.58 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 3dya s VAL 60 CO 0.60 0.20 0.02 0.12 -0.31 0.00 0.00 175.10 175.73 3dya s PHE 61 N -1.05 1.10 -0.02 2.82 5.99 0.66 -4.95 117.98 122.54 3dya s PHE 61 Ca 0.16 -1.09 0.02 0.00 0.00 0.00 0.00 56.93 56.03 3dya s PHE 61 Cb -0.10 -0.63 0.00 0.00 0.00 0.00 0.00 43.02 42.29 3dya s PHE 61 CO 0.08 -0.31 -0.07 0.00 -0.00 0.00 0.00 175.22 174.92 3dya s ALA 62 N -3.78 0.67 0.02 11.12 0.00 -1.26 -0.91 121.76 127.61 3dya s ALA 62 Ca 0.24 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.94 3dya s ALA 62 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3dya s ALA 62 CO 0.03 0.12 -0.05 -1.50 0.00 0.00 0.00 175.76 174.36 3dya s ILE 63 N 0.09 0.36 1.26 0.00 2.07 -0.53 -4.97 121.20 119.48 3dya s ILE 63 Ca -0.01 -0.67 -0.20 0.00 -1.41 0.00 0.00 60.65 58.36 3dya s ILE 63 Cb -0.06 -0.40 0.31 0.00 0.13 0.00 0.00 42.46 42.44 3dya s ILE 63 CO -0.00 -0.21 1.06 -0.54 -1.91 0.00 0.00 174.94 173.34 3dya s LYS 64 N -0.95 -1.68 0.00 3.50 -0.14 -1.26 0.14 119.74 119.35 3dya s LYS 64 Ca -0.06 -0.02 0.00 0.00 -1.36 0.00 0.00 55.97 54.53 3dya s LYS 64 Cb -0.06 -1.54 0.00 0.00 -1.68 0.00 0.00 37.83 34.55 3dya s LYS 64 CO -0.00 -4.02 0.45 0.25 -0.76 0.00 0.00 175.35 171.27 3dya n THR 69 N -4.99 0.00 -2.79 2.17 -2.24 -1.26 -4.94 114.28 100.23 3dya n THR 69 Ca 0.13 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.54 3dya n THR 69 Cb 0.60 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 3dya n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dya s LYS 70 N -1.74 4.55 0.10 -0.78 1.02 -1.26 -5.07 119.74 116.56 3dya s LYS 70 Ca 0.00 1.31 -0.09 0.00 0.02 0.00 0.00 55.97 57.21 3dya s LYS 70 Cb 0.00 -2.75 -0.06 0.00 -0.52 0.00 0.00 37.83 34.50 3dya s LYS 70 CO 0.00 0.26 0.40 -1.58 -0.92 0.00 0.00 175.35 173.51 3dya s TRP 71 N -1.66 3.55 -0.00 3.18 0.52 -1.26 -5.01 118.94 118.26 3dya s TRP 71 Ca 0.51 0.74 0.07 0.00 0.02 0.00 0.00 56.10 57.45 3dya s TRP 71 Cb -0.18 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 29.99 3dya s TRP 71 CO 0.23 0.49 -0.23 1.03 0.02 0.00 0.00 176.95 178.49 3dya s ARG 72 N -2.09 1.77 -0.19 4.98 0.52 0.12 -4.97 118.95 119.09 3dya s ARG 72 Ca 0.35 -0.87 -0.19 0.00 -0.52 0.00 0.00 55.73 54.50 3dya s ARG 72 Cb -0.13 -1.77 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 3dya s ARG 72 CO 0.19 0.48 0.55 0.21 0.02 0.00 0.00 175.30 176.75 3dya s LYS 73 N -0.71 4.21 -0.24 3.54 2.20 -1.26 -1.46 119.74 126.03 3dya s LYS 73 Ca 0.09 0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 56.13 3dya s LYS 73 Cb -0.09 -3.55 -0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3dya s LYS 73 CO -0.00 -0.14 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.32 3dya s LEU 74 N 1.60 3.11 -0.17 5.43 1.02 -0.09 -4.99 118.68 124.60 3dya s LEU 74 Ca 0.26 -0.48 -0.11 0.00 0.02 0.00 0.00 54.13 53.81 3dya s LEU 74 Cb -0.16 -1.76 -0.05 0.00 0.02 0.00 0.00 46.19 44.24 3dya s LEU 74 CO 0.10 -0.06 0.21 -0.69 0.02 0.00 0.00 176.35 175.93 3dya s VAL 75 N 1.47 5.36 -0.81 -1.59 1.01 -1.26 -0.25 120.40 124.34 3dya s VAL 75 Ca 0.05 0.37 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 3dya s VAL 75 Cb -0.15 -3.54 0.16 0.00 0.00 0.00 0.00 36.38 32.85 3dya s VAL 75 CO -0.02 0.44 0.89 -0.62 0.00 0.00 0.00 175.10 175.80 3dya s ASP 76 N 0.21 6.56 -0.08 3.32 3.68 -0.88 -4.89 116.67 124.59 3dya s ASP 76 Ca 0.13 -2.12 0.08 0.00 2.13 0.00 0.00 52.55 52.77 3dya s ASP 76 Cb -0.12 -2.31 0.37 0.00 -1.45 0.00 0.00 42.92 39.41 3dya s ASP 76 CO 0.02 -0.91 1.15 0.49 0.13 0.00 0.00 175.17 176.05 3dya n PHE 77 N 5.59 0.84 -0.25 -5.34 0.99 -1.26 -4.42 117.46 113.61 3dya n PHE 77 Ca 0.12 -0.31 0.05 0.00 -0.00 0.00 0.00 57.45 57.31 3dya n PHE 77 Cb 0.47 -0.21 0.16 0.00 -1.00 0.00 0.00 39.48 38.90 3dya n PHE 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3dya h ARG 78 N 1.95 0.13 -0.04 -1.08 3.08 -1.90 0.15 114.38 116.67 3dya h ARG 78 Ca 0.00 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3dya h ARG 78 Cb 0.99 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3dya h ARG 78 CO 0.17 0.09 -0.28 0.93 -1.07 0.00 0.00 179.97 179.80 3dya h GLU 79 N 0.13 0.26 -0.58 0.04 4.39 -2.00 -2.14 114.58 114.69 3dya h GLU 79 Ca 0.41 -0.23 0.07 0.00 0.34 0.00 0.00 59.36 59.95 3dya h GLU 79 Cb 0.71 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.35 3dya h GLU 79 CO -0.62 0.89 0.25 1.25 -1.16 0.00 0.00 179.01 179.62 3dya h LEU 80 N -0.29 0.30 -0.70 1.33 5.85 -1.84 -1.95 115.31 118.01 3dya h LEU 80 Ca -0.02 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3dya h LEU 80 Cb 0.95 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 3dya h LEU 80 CO 0.06 0.19 0.40 0.78 -0.34 0.00 0.00 178.44 179.53 3dya h ASN 81 N 0.46 0.59 -0.13 1.25 2.35 -0.65 0.13 115.58 119.58 3dya h ASN 81 Ca 0.28 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3dya h ASN 81 Cb 0.28 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3dya h ASN 81 CO -0.24 0.38 0.08 0.11 -1.65 0.00 0.00 177.43 176.10 3dya h LYS 82 N 0.72 0.19 0.00 0.81 1.57 -1.11 -3.11 116.57 115.64 3dya h LYS 82 Ca 0.31 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3dya h LYS 82 Cb 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3dya h LYS 82 CO -0.19 0.14 -0.78 0.54 -0.57 0.00 0.00 179.45 178.59 3dya n ARG 83 N -4.50 0.20 -3.43 3.15 1.74 0.04 -4.92 116.66 108.92 3dya n ARG 83 Ca -0.01 0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 3dya n ARG 83 Cb 0.09 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 3dya n ARG 83 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3dya s THR 84 N -3.13 4.94 0.99 0.55 -1.32 0.24 -0.85 115.64 117.08 3dya s THR 84 Ca 0.07 0.52 -0.15 0.00 -1.21 0.00 0.00 61.69 60.91 3dya s THR 84 Cb 0.15 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 3dya s THR 84 CO 0.76 0.04 0.02 0.00 -2.21 0.00 0.00 174.62 173.22 3dya n GLN 85 N 0.17 -0.47 -2.70 7.08 10.64 -0.59 -4.59 117.38 126.92 3dya n GLN 85 Ca -0.02 -0.11 -0.33 0.00 -1.83 0.00 0.00 57.00 54.71 3dya n GLN 85 Cb 0.52 -1.63 -0.06 0.00 -0.86 0.00 0.00 30.24 28.21 3dya n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3dya s ASP 86 N -1.75 6.78 0.30 2.61 1.01 -1.26 -4.95 116.67 119.42 3dya s ASP 86 Ca 0.53 1.70 0.11 0.00 0.71 0.00 0.00 52.55 55.59 3dya s ASP 86 Cb -0.17 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 3dya s ASP 86 CO 0.70 -0.47 -0.12 -0.36 0.21 0.00 0.00 175.17 175.13 3dya s PHE 87 N -2.24 2.41 0.53 4.23 0.08 -1.26 -5.09 117.98 116.65 3dya s PHE 87 Ca 0.62 -0.37 -0.21 0.00 0.12 0.00 0.00 56.93 57.10 3dya s PHE 87 Cb -0.10 -1.19 -0.06 0.00 -0.57 0.00 0.00 43.02 41.11 3dya s PHE 87 CO 0.18 0.64 1.19 -0.46 -0.10 0.00 0.00 175.22 176.66 3dya s TRP 88 N -2.51 2.60 0.37 0.36 -0.00 -1.26 -4.97 118.94 113.53 3dya s TRP 88 Ca 0.32 1.51 -0.26 0.00 -0.00 0.00 0.00 56.10 57.66 3dya s TRP 88 Cb -0.03 -3.43 -0.12 0.00 -0.00 0.00 0.00 33.47 29.89 3dya s TRP 88 CO 0.17 -1.90 1.16 -1.91 -0.00 0.00 0.00 176.95 174.46 3dya n GLU 89 N -1.11 1.73 0.16 5.86 4.07 -1.26 -4.91 120.64 125.18 3dya n GLU 89 Ca 0.11 0.61 -0.13 0.00 -0.06 0.00 0.00 57.16 57.68 3dya n GLU 89 Cb 0.49 -2.17 -0.08 0.00 -0.06 0.00 0.00 31.44 29.62 3dya n GLU 89 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3dya h VAL 90 N 2.07 0.72 -3.62 6.31 2.07 -1.95 -3.46 116.25 118.38 3dya h VAL 90 Ca -0.45 -0.55 -0.18 0.00 0.82 0.00 0.00 66.70 66.35 3dya h VAL 90 Cb 1.31 1.00 -0.23 0.00 -1.52 0.00 0.00 31.29 31.85 3dya h VAL 90 CO 0.60 0.11 -0.59 -1.10 0.02 0.00 0.00 177.57 176.61 3dya s GLN 91 N -4.82 0.29 0.48 1.57 -1.52 -1.26 -5.02 119.66 109.37 3dya s GLN 91 Ca -0.14 -0.23 0.29 0.00 -1.95 0.00 0.00 55.36 53.33 3dya s GLN 91 Cb 0.02 0.12 0.99 0.00 -0.22 0.00 0.00 33.01 33.93 3dya s GLN 91 CO 0.56 -0.06 1.84 1.25 -0.25 0.00 0.00 175.29 178.63 3dya h LEU 92 N 5.08 0.00 0.00 2.90 5.85 -2.04 -3.48 115.31 123.62 3dya h LEU 92 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3dya h LEU 92 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3dya h LEU 92 CO 0.42 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.13 3dya n GLY 93 N 0.42 1.13 3.13 3.75 0.00 -1.26 -5.18 105.19 107.19 3dya n GLY 93 Ca 0.02 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 3dya n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dya s ILE 94 N -2.32 1.11 0.33 -0.61 1.01 -1.26 -5.12 121.20 114.34 3dya s ILE 94 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 3dya s ILE 94 Cb 0.00 -0.98 -0.11 0.00 0.01 0.00 0.00 42.46 41.38 3dya s ILE 94 CO 0.00 0.10 1.54 -2.65 0.00 0.00 0.00 174.94 173.93 3dya n PRO 95 N 2.17 2.66 -3.79 2.79 -0.02 -1.26 -5.01 135.00 132.54 3dya n PRO 95 Ca -0.17 0.94 -0.35 0.00 -2.02 0.00 0.00 63.50 61.90 3dya n PRO 95 Cb 0.55 -2.69 -0.08 0.00 -0.02 0.00 0.00 33.50 31.26 3dya n PRO 95 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3dya s HIS 96 N -0.52 3.44 0.34 6.00 2.46 -1.26 -5.02 115.29 120.73 3dya s HIS 96 Ca 0.59 0.35 0.10 0.00 0.47 0.00 0.00 55.06 56.58 3dya s HIS 96 Cb -0.49 -2.10 0.87 0.00 -0.13 0.00 0.00 32.58 30.73 3dya s HIS 96 CO 0.56 0.38 1.78 -1.35 -2.47 0.00 0.00 174.74 173.64 3dya h PRO 97 N 6.27 0.61 -0.06 2.88 0.11 -1.98 0.11 132.00 139.94 3dya h PRO 97 Ca -0.44 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3dya h PRO 97 Cb 1.17 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3dya h PRO 97 CO 0.71 0.40 0.11 0.00 -0.21 0.00 0.00 178.00 179.01 3dya h ALA 98 N 1.65 1.41 -0.00 -0.75 0.00 -1.84 -1.69 119.26 118.04 3dya h ALA 98 Ca 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3dya h ALA 98 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3dya h ALA 98 CO -0.35 -0.14 -0.31 0.41 0.00 0.00 0.00 179.25 178.87 3dya n GLY 99 N -1.25 -1.31 3.73 0.00 0.00 0.03 -3.75 105.19 102.63 3dya n GLY 99 Ca -0.01 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3dya n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dya s LEU 100 N -2.97 4.41 0.08 0.99 1.43 -0.64 -4.76 118.68 117.23 3dya s LEU 100 Ca 0.13 2.15 -0.28 0.00 -1.03 0.00 0.00 54.13 55.11 3dya s LEU 100 Cb 0.18 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 3dya s LEU 100 CO 0.63 -0.43 0.87 -0.54 0.23 0.00 0.00 176.35 177.10 3dya s LYS 101 N 0.40 4.60 0.18 1.70 1.02 -1.26 -0.57 119.74 125.81 3dya s LYS 101 Ca 0.56 1.27 -0.32 0.00 0.02 0.00 0.00 55.97 57.50 3dya s LYS 101 Cb -0.32 -3.37 -0.11 0.00 -0.52 0.00 0.00 37.83 33.51 3dya s LYS 101 CO 0.33 0.26 1.75 0.21 -0.92 0.00 0.00 175.35 176.97 3dya s LYS 102 N -0.06 4.13 0.12 1.68 2.20 -1.26 -4.92 119.74 121.64 3dya s LYS 102 Ca 0.43 2.59 0.07 0.00 -0.36 0.00 0.00 55.97 58.69 3dya s LYS 102 Cb -0.22 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 3dya s LYS 102 CO 0.27 -0.77 -0.05 0.15 -0.36 0.00 0.00 175.35 174.58 3dya s LYS 103 N 1.68 2.29 0.18 4.03 -0.14 -1.26 -5.01 119.74 121.51 3dya s LYS 103 Ca 0.76 -1.02 -0.13 0.00 -1.36 0.00 0.00 55.97 54.23 3dya s LYS 103 Cb -0.48 -2.36 0.11 0.00 -1.68 0.00 0.00 37.83 33.42 3dya s LYS 103 CO 0.33 0.50 1.83 -0.22 -0.76 0.00 0.00 175.35 177.03 3dya h LYS 104 N 3.29 0.68 -3.57 1.68 3.64 -1.80 -3.44 116.57 117.05 3dya h LYS 104 Ca -0.48 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 58.65 3dya h LYS 104 Cb 1.18 -0.15 -0.27 0.00 -0.41 0.00 0.00 32.23 32.57 3dya h LYS 104 CO 0.56 0.45 -0.64 -1.54 -2.27 0.00 0.00 179.45 176.00 3dya s SER 105 N -5.65 -0.07 -0.00 4.20 1.04 -0.72 -5.04 113.70 107.46 3dya s SER 105 Ca -0.13 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.43 3dya s SER 105 Cb 0.13 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3dya s SER 105 CO 0.75 -0.02 0.00 -0.69 0.98 0.00 0.00 173.24 174.26 3dya s VAL 106 N 0.05 -0.00 -0.03 5.02 1.01 -1.26 -0.44 120.40 124.75 3dya s VAL 106 Ca -0.00 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3dya s VAL 106 Cb -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 36.38 36.34 3dya s VAL 106 CO 0.00 0.02 -0.16 -0.89 0.00 0.00 0.00 175.10 174.06 3dya s THR 107 N 0.17 1.34 -0.25 3.92 2.01 0.24 -4.97 115.64 118.10 3dya s THR 107 Ca -0.01 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 3dya s THR 107 Cb -0.02 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 3dya s THR 107 CO -0.00 0.39 0.41 -0.69 -0.69 0.00 0.00 174.62 174.03 3dya s VAL 108 N -0.04 5.16 -0.23 3.82 1.01 -1.26 -0.58 120.40 128.27 3dya s VAL 108 Ca -0.01 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 3dya s VAL 108 Cb -0.10 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.57 3dya s VAL 108 CO 0.01 0.17 -0.09 -0.76 0.00 0.00 0.00 175.10 174.43 3dya s LEU 109 N 1.92 2.98 -0.21 3.92 1.43 -0.51 -4.54 118.68 123.68 3dya s LEU 109 Ca 0.17 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 3dya s LEU 109 Cb -0.15 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3dya s LEU 109 CO 0.09 -0.10 0.24 1.51 0.23 0.00 0.00 176.35 178.33 3dya s ASP 110 N 1.32 6.28 0.13 2.29 -4.77 -1.26 -0.36 116.67 120.29 3dya s ASP 110 Ca 0.01 0.31 -0.31 0.00 -3.30 0.00 0.00 52.55 49.26 3dya s ASP 110 Cb -0.16 -2.15 -0.08 0.00 -1.09 0.00 0.00 42.92 39.44 3dya s ASP 110 CO -0.06 0.05 1.38 -0.69 0.70 0.00 0.00 175.17 176.56 3dya s VAL 111 N 0.89 3.28 0.13 2.11 1.01 0.27 -4.04 120.40 124.04 3dya s VAL 111 Ca 0.12 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 62.75 3dya s VAL 111 Cb -0.13 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 3dya s VAL 111 CO 0.04 0.08 0.89 -0.83 0.00 0.00 0.00 175.10 175.29 3dya s GLY 112 N 1.01 2.98 -1.35 4.51 0.00 -0.64 -4.10 107.32 109.73 3dya s GLY 112 Ca 0.64 0.50 -0.18 0.00 0.00 0.00 0.00 44.72 45.68 3dya s GLY 112 CO 0.31 1.25 0.42 1.22 0.00 0.00 0.00 173.10 176.30 3dya n ASP 113 N 2.34 -2.02 -0.04 1.64 10.43 -1.26 -4.61 116.55 123.04 3dya n ASP 113 Ca -0.01 -1.24 -0.14 0.00 2.57 0.00 0.00 54.79 55.98 3dya n ASP 113 Cb 0.49 -1.95 -0.08 0.00 1.84 0.00 0.00 41.12 41.42 3dya n ASP 113 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3dya h ALA 114 N 1.19 -0.76 -0.63 2.24 0.00 -1.97 -2.20 119.26 117.13 3dya h ALA 114 Ca -0.68 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 3dya h ALA 114 Cb 1.40 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 20.13 3dya h ALA 114 CO 0.59 -1.03 0.12 1.88 0.00 0.00 0.00 179.25 180.82 3dya h TYR 115 N -0.51 1.09 0.00 0.00 0.99 -1.89 -2.69 116.97 113.96 3dya h TYR 115 Ca 0.06 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.64 3dya h TYR 115 Cb 0.65 -0.30 0.00 0.00 1.00 0.00 0.00 36.73 38.08 3dya h TYR 115 CO -0.59 0.93 0.00 1.19 -0.00 0.00 0.00 178.16 179.69 3dya n PHE 116 N -4.28 0.00 -0.33 4.88 3.72 -1.02 -2.58 117.46 117.85 3dya n PHE 116 Ca 0.04 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.51 3dya n PHE 116 Cb 0.27 -0.46 0.31 0.00 -0.94 0.00 0.00 39.48 38.67 3dya n PHE 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3dya n SER 117 N -1.46 4.32 -3.91 4.37 7.64 -0.86 -4.71 113.62 119.01 3dya n SER 117 Ca 0.06 -2.50 -0.20 0.00 1.01 0.00 0.00 58.87 57.23 3dya n SER 117 Cb 0.22 -0.57 -0.16 0.00 -1.01 0.00 0.00 64.21 62.68 3dya n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dya s VAL 118 N -2.02 0.59 0.47 0.44 1.01 -1.07 -0.99 120.40 118.84 3dya s VAL 118 Ca 0.43 -0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 3dya s VAL 118 Cb 0.30 -0.60 -0.08 0.00 0.00 0.00 0.00 36.38 36.00 3dya s VAL 118 CO 0.18 0.23 1.08 -2.16 0.00 0.00 0.00 175.10 174.42 3dya s PRO 119 N 0.79 3.80 -0.04 2.72 0.04 -1.26 -2.24 135.00 138.80 3dya s PRO 119 Ca -0.11 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 3dya s PRO 119 Cb -0.14 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 3dya s PRO 119 CO 0.01 -0.45 0.30 -1.17 0.04 0.00 0.00 177.00 175.72 3dya s LEU 120 N -3.27 4.43 -0.30 -3.56 2.96 -0.05 -4.68 118.68 114.21 3dya s LEU 120 Ca 0.65 0.75 -0.44 0.00 -0.22 0.00 0.00 54.13 54.87 3dya s LEU 120 Cb -0.21 -2.40 -0.19 0.00 0.50 0.00 0.00 46.19 43.89 3dya s LEU 120 CO 0.25 0.35 1.48 -0.67 -1.32 0.00 0.00 176.35 176.44 3dya n ASP 121 N 1.82 1.13 -0.21 3.68 2.03 -1.26 -4.84 116.55 118.90 3dya n ASP 121 Ca -0.16 1.16 0.05 0.00 0.52 0.00 0.00 54.79 56.36 3dya n ASP 121 Cb 0.53 -0.95 0.31 0.00 -0.72 0.00 0.00 41.12 40.29 3dya n ASP 121 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3dya h GLU 122 N 4.84 0.84 0.00 -0.67 5.08 -1.96 -0.62 114.58 122.09 3dya h GLU 122 Ca -0.46 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3dya h GLU 122 Cb 1.37 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3dya h GLU 122 CO 0.88 0.55 0.00 -0.44 -1.00 0.00 0.00 179.01 179.01 3dya h ASP 123 N 0.86 0.00 0.00 1.42 3.45 -1.95 -3.17 116.42 117.03 3dya h ASP 123 Ca 0.32 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.67 3dya h ASP 123 Cb 0.18 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 3dya h ASP 123 CO -0.11 0.00 -2.02 0.33 -1.57 0.00 0.00 179.24 175.87 3dya n PHE 124 N -2.49 0.00 -0.30 4.55 -0.00 -0.28 -4.64 117.46 114.30 3dya n PHE 124 Ca 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.59 3dya n PHE 124 Cb 0.23 -0.60 0.29 0.00 -0.00 0.00 0.00 39.48 39.40 3dya n PHE 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3dya h ARG 125 N 0.00 0.40 -0.86 -4.13 3.08 -1.40 -1.03 114.38 110.44 3dya h ARG 125 Ca -0.17 -0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.08 3dya h ARG 125 Cb 1.31 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.23 3dya h ARG 125 CO 0.01 0.26 0.59 1.57 -1.07 0.00 0.00 179.97 181.34 3dya h LYS 126 N 0.41 0.17 0.00 0.04 2.10 -1.82 0.75 116.57 118.22 3dya h LYS 126 Ca 0.55 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 3dya h LYS 126 Cb 1.02 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 3dya h LYS 126 CO -0.52 0.11 0.00 0.66 -2.00 0.00 0.00 179.45 177.71 3dya n TYR 127 N -4.39 0.72 -0.28 0.07 4.01 -0.39 -3.04 117.16 113.86 3dya n TYR 127 Ca 0.18 0.29 0.06 0.00 -0.16 0.00 0.00 57.90 58.28 3dya n TYR 127 Cb 0.81 -0.97 0.30 0.00 -0.31 0.00 0.00 39.34 39.17 3dya n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3dya n THR 128 N -2.16 1.75 -1.86 -0.72 -2.24 0.26 -4.64 114.28 104.66 3dya n THR 128 Ca 0.02 -0.99 -0.41 0.00 -2.27 0.00 0.00 64.05 60.39 3dya n THR 128 Cb 0.20 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 3dya n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dya s ALA 129 N -2.04 3.71 0.08 6.98 0.00 -1.17 -4.20 121.76 125.11 3dya s ALA 129 Ca 0.41 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3dya s ALA 129 Cb 0.29 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3dya s ALA 129 CO 0.16 -0.90 -0.04 -0.59 0.00 0.00 0.00 175.76 174.39 3dya s PHE 130 N -0.01 0.70 -0.15 0.00 -0.71 -0.45 -0.83 117.98 116.54 3dya s PHE 130 Ca 0.62 -1.01 0.00 0.00 -1.04 0.00 0.00 56.93 55.50 3dya s PHE 130 Cb -0.46 -0.45 0.03 0.00 -1.21 0.00 0.00 43.02 40.93 3dya s PHE 130 CO 0.46 -0.29 -0.11 0.99 -1.34 0.00 0.00 175.22 174.94 3dya s THR 131 N -3.80 1.36 -0.42 -4.49 2.01 -1.26 -1.44 115.64 107.60 3dya s THR 131 Ca 0.10 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 3dya s THR 131 Cb 0.07 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.24 3dya s THR 131 CO -0.07 0.35 1.15 -0.63 -0.69 0.00 0.00 174.62 174.73 3dya s ILE 132 N 1.56 4.26 0.51 1.82 1.01 0.56 -4.72 121.20 126.19 3dya s ILE 132 Ca 0.04 1.34 -0.19 0.00 0.00 0.00 0.00 60.65 61.83 3dya s ILE 132 Cb -0.13 -4.50 -0.07 0.00 0.01 0.00 0.00 42.46 37.76 3dya s ILE 132 CO -0.09 -0.83 1.04 -2.16 0.00 0.00 0.00 174.94 172.90 3dya s PRO 133 N 4.27 3.72 0.73 2.79 0.04 -1.26 -0.91 135.00 144.37 3dya s PRO 133 Ca 0.49 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 3dya s PRO 133 Cb -0.09 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.39 3dya s PRO 133 CO 0.27 -0.49 1.07 -1.54 0.04 0.00 0.00 177.00 176.35 3dya s SER 134 N -2.21 5.14 0.16 6.66 1.04 -1.26 -4.88 113.70 118.34 3dya s SER 134 Ca 0.66 1.45 -0.33 0.00 0.48 0.00 0.00 55.95 58.21 3dya s SER 134 Cb -0.16 -2.28 -0.12 0.00 0.10 0.00 0.00 66.02 63.56 3dya s SER 134 CO 0.24 -1.57 1.70 -0.38 0.98 0.00 0.00 173.24 174.21 3dya n ILE 135 N -3.19 0.11 -2.75 -1.02 5.41 -1.26 -0.25 119.36 116.41 3dya n ILE 135 Ca 0.07 -0.02 -0.15 0.00 1.00 0.00 0.00 62.75 63.65 3dya n ILE 135 Cb 0.55 -1.84 -0.00 0.00 -0.71 0.00 0.00 39.64 37.64 3dya n ILE 135 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3dya n ASN 136 N 4.25 -3.74 -3.19 4.38 3.02 -1.26 -2.77 115.26 115.96 3dya n ASN 136 Ca 0.17 0.02 -0.18 0.00 -0.03 0.00 0.00 54.58 54.56 3dya n ASN 136 Cb 0.33 -3.15 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 3dya n ASN 136 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dya n ASN 137 N -1.96 -1.24 -0.08 6.41 5.03 0.66 -4.84 115.26 119.23 3dya n ASN 137 Ca -0.10 -0.27 -0.12 0.00 0.87 0.00 0.00 54.58 54.97 3dya n ASN 137 Cb 0.58 -1.15 -0.05 0.00 -1.02 0.00 0.00 39.78 38.14 3dya n ASN 137 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 3dya h GLU 138 N -0.36 0.47 -6.17 3.52 4.39 -1.71 -3.46 114.58 111.27 3dya h GLU 138 Ca -0.25 -0.20 -0.57 0.00 0.34 0.00 0.00 59.36 58.68 3dya h GLU 138 Cb 1.06 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.59 3dya h GLU 138 CO 0.37 0.74 -0.66 0.95 -1.16 0.00 0.00 179.01 179.25 3dya s THR 139 N -4.62 3.12 0.12 1.13 -4.23 -1.26 -5.09 115.64 104.81 3dya s THR 139 Ca -0.14 -2.00 -0.35 0.00 -1.18 0.00 0.00 61.69 58.02 3dya s THR 139 Cb 0.07 -2.74 -0.17 0.00 1.34 0.00 0.00 72.50 71.00 3dya s THR 139 CO 0.77 -0.34 1.19 -2.65 -0.54 0.00 0.00 174.62 173.05 3dya n PRO 140 N -0.87 0.98 -1.19 3.99 -0.02 -1.26 -4.05 135.00 132.58 3dya n PRO 140 Ca -0.06 0.35 -0.29 0.00 -2.02 0.00 0.00 63.50 61.49 3dya n PRO 140 Cb 0.60 -1.88 0.18 0.00 -0.02 0.00 0.00 33.50 32.37 3dya n PRO 140 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3dya s GLY 141 N 0.14 1.56 -0.07 -1.23 0.00 -1.26 -4.62 107.32 101.84 3dya s GLY 141 Ca 0.79 -0.44 -0.21 0.00 0.00 0.00 0.00 44.72 44.86 3dya s GLY 141 CO 0.51 0.20 0.60 -0.42 0.00 0.00 0.00 173.10 173.98 3dya s ILE 142 N -3.00 5.07 -0.11 0.90 1.01 -0.09 -4.88 121.20 120.10 3dya s ILE 142 Ca 0.66 1.23 -0.00 0.00 0.00 0.00 0.00 60.65 62.53 3dya s ILE 142 Cb -0.18 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 3dya s ILE 142 CO 0.57 0.31 -0.09 -0.13 0.00 0.00 0.00 174.94 175.61 3dya s ARG 143 N 0.54 3.18 0.14 2.79 1.81 -1.26 -0.32 118.95 125.82 3dya s ARG 143 Ca 0.32 -0.60 0.03 0.00 -1.72 0.00 0.00 55.73 53.76 3dya s ARG 143 Cb -0.17 -2.67 -0.04 0.00 -0.45 0.00 0.00 34.95 31.62 3dya s ARG 143 CO 0.15 0.41 -0.06 0.71 -0.68 0.00 0.00 175.30 175.83 3dya s TYR 144 N -0.12 1.15 0.03 -0.53 1.51 -0.52 -1.88 117.35 116.98 3dya s TYR 144 Ca 0.01 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.19 3dya s TYR 144 Cb -0.13 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 3dya s TYR 144 CO 0.03 -0.06 -0.04 1.14 -1.11 0.00 0.00 175.55 175.51 3dya s GLN 145 N -3.82 0.38 0.33 -0.62 -2.07 -0.44 -1.34 119.66 112.08 3dya s GLN 145 Ca 0.17 -0.71 -0.28 0.00 -1.82 0.00 0.00 55.36 52.73 3dya s GLN 145 Cb 0.04 0.07 -0.09 0.00 -1.09 0.00 0.00 33.01 31.94 3dya s GLN 145 CO 0.00 -0.04 1.17 0.71 -1.32 0.00 0.00 175.29 175.81 3dya s TYR 146 N -1.75 3.29 -1.30 9.60 2.02 -1.26 -1.20 117.35 126.74 3dya s TYR 146 Ca -0.12 1.58 0.15 0.00 -0.37 0.00 0.00 57.07 58.31 3dya s TYR 146 Cb -0.08 -3.41 -0.03 0.00 -0.40 0.00 0.00 41.96 38.05 3dya s TYR 146 CO -0.02 -1.10 0.80 0.09 -1.57 0.00 0.00 175.55 173.75 3dya n ASN 147 N 0.74 1.45 -4.13 2.29 3.02 0.18 -4.72 115.26 114.07 3dya n ASN 147 Ca 0.01 -1.22 -0.20 0.00 -0.03 0.00 0.00 54.58 53.14 3dya n ASN 147 Cb 0.45 0.55 -0.09 0.00 -0.61 0.00 0.00 39.78 40.07 3dya n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dya s VAL 148 N -1.91 0.52 -0.23 2.41 -7.23 -1.22 -0.87 120.40 111.88 3dya s VAL 148 Ca 0.12 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 3dya s VAL 148 Cb 0.12 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 3dya s VAL 148 CO 0.42 0.00 1.78 -0.76 -0.31 0.00 0.00 175.10 176.22 3dya s LEU 149 N -3.41 3.78 0.49 1.32 1.43 -0.95 -4.59 118.68 116.75 3dya s LEU 149 Ca 0.34 1.67 -0.21 0.00 -1.03 0.00 0.00 54.13 54.90 3dya s LEU 149 Cb 0.06 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 3dya s LEU 149 CO 0.16 -1.45 1.10 -2.84 0.23 0.00 0.00 176.35 173.54 3dya s PRO 150 N 5.14 3.69 0.10 1.29 0.02 -1.26 -4.17 135.00 139.81 3dya s PRO 150 Ca 0.79 1.55 -0.31 0.00 0.02 0.00 0.00 61.00 63.05 3dya s PRO 150 Cb -0.27 -2.19 -0.08 0.00 0.02 0.00 0.00 34.50 31.98 3dya s PRO 150 CO 0.32 -0.56 1.54 -1.14 -0.33 0.00 0.00 177.00 176.84 3dya s GLN 151 N -3.04 4.24 0.00 5.54 2.00 -1.26 -2.85 119.66 124.28 3dya s GLN 151 Ca 0.67 2.25 0.00 0.00 -2.00 0.00 0.00 55.36 56.28 3dya s GLN 151 Cb -0.22 -3.38 0.00 0.00 0.80 0.00 0.00 33.01 30.21 3dya s GLN 151 CO 0.26 -0.61 0.00 0.41 -0.50 0.00 0.00 175.29 174.85 3dya n GLY 152 N 3.78 0.74 3.78 2.59 0.00 -1.26 -4.83 105.19 109.98 3dya n GLY 152 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3dya n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dya s TRP 153 N -2.69 3.64 0.38 1.61 -0.00 -1.13 -4.71 118.94 116.04 3dya s TRP 153 Ca 0.00 0.95 0.16 0.00 -0.00 0.00 0.00 56.10 57.21 3dya s TRP 153 Cb 0.00 -2.41 1.04 0.00 -0.00 0.00 0.00 33.47 32.10 3dya s TRP 153 CO 0.00 0.43 1.78 -0.22 -0.00 0.00 0.00 176.95 178.94 3dya h LYS 154 N 5.60 0.44 0.00 5.86 3.64 -1.92 -1.66 116.57 128.53 3dya h LYS 154 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3dya h LYS 154 Cb 1.20 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3dya h LYS 154 CO 0.68 0.29 -0.09 0.78 -2.27 0.00 0.00 179.45 178.84 3dya h GLY 155 N 0.46 0.00 0.92 5.01 0.00 -1.93 -3.40 103.07 104.12 3dya h GLY 155 Ca 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.88 3dya h GLY 155 CO -0.30 0.00 0.13 1.76 0.00 0.00 0.00 176.54 178.13 3dya h SER 156 N 0.00 0.46 -0.71 0.19 0.02 -1.59 -1.70 113.55 110.22 3dya h SER 156 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3dya h SER 156 Cb 0.76 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 3dya h SER 156 CO 0.00 0.51 0.45 -0.65 -1.14 0.00 0.00 176.83 176.00 3dya h PRO 157 N 0.39 0.95 -0.05 3.45 0.11 -1.78 -1.23 132.00 133.84 3dya h PRO 157 Ca 0.11 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 3dya h PRO 157 Cb 0.20 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 3dya h PRO 157 CO -0.01 0.66 -0.08 0.00 -0.21 0.00 0.00 178.00 178.35 3dya h ALA 158 N 1.24 0.08 -0.54 -0.75 0.00 -1.80 -2.27 119.26 115.23 3dya h ALA 158 Ca 0.26 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3dya h ALA 158 Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3dya h ALA 158 CO -0.05 -0.08 0.23 0.82 0.00 0.00 0.00 179.25 180.17 3dya h ILE 159 N -0.33 1.21 -0.04 0.00 2.04 -1.34 -1.14 117.51 117.91 3dya h ILE 159 Ca 0.01 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3dya h ILE 159 Cb 0.63 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3dya h ILE 159 CO 0.02 0.25 -0.20 0.15 0.00 0.00 0.00 178.15 178.37 3dya h PHE 160 N 0.72 -0.52 -0.33 1.37 3.57 -1.28 -0.92 116.94 119.55 3dya h PHE 160 Ca 0.18 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.77 3dya h PHE 160 Cb 0.17 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 3dya h PHE 160 CO 0.00 -0.28 -0.05 0.37 -2.23 0.00 0.00 178.31 176.12 3dya h GLN 161 N -0.30 0.03 0.00 1.11 4.15 -1.00 -1.24 115.11 117.86 3dya h GLN 161 Ca 0.07 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 3dya h GLN 161 Cb 0.40 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 3dya h GLN 161 CO -0.21 0.02 -0.19 0.66 -1.93 0.00 0.00 178.83 177.18 3dya h SER 162 N 0.03 0.00 -0.28 -0.69 4.64 -1.06 -1.69 113.55 114.50 3dya h SER 162 Ca 0.16 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3dya h SER 162 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3dya h SER 162 CO -0.32 0.19 -0.14 0.28 -0.87 0.00 0.00 176.83 175.97 3dya h SER 163 N 0.00 0.61 -0.60 4.97 0.02 -0.20 -2.45 113.55 115.90 3dya h SER 163 Ca -0.00 -0.41 -0.10 0.00 -0.84 0.00 0.00 61.79 60.44 3dya h SER 163 Cb 0.69 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 3dya h SER 163 CO 0.02 0.89 0.00 -0.03 -1.14 0.00 0.00 176.83 176.58 3dya h MET 164 N 0.33 1.07 0.10 3.45 1.85 -0.95 -2.05 114.93 118.73 3dya h MET 164 Ca 0.06 -0.34 0.01 0.00 -0.61 0.00 0.00 59.70 58.82 3dya h MET 164 Cb 0.66 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.57 3dya h MET 164 CO 0.04 1.04 -0.15 1.15 -0.40 0.00 0.00 176.91 178.60 3dya h THR 165 N 0.98 0.67 -0.34 -0.77 2.02 -1.29 0.24 112.91 114.42 3dya h THR 165 Ca 0.17 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.41 3dya h THR 165 Cb 0.56 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3dya h THR 165 CO 0.03 0.00 0.00 0.11 0.37 0.00 0.00 175.52 176.03 3dya h LYS 166 N -0.29 0.10 -0.65 6.66 1.57 -1.35 -0.88 116.57 121.72 3dya h LYS 166 Ca 0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3dya h LYS 166 Cb 0.30 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3dya h LYS 166 CO -0.07 0.06 0.34 0.82 -0.57 0.00 0.00 179.45 180.04 3dya h ILE 167 N 0.10 1.21 0.00 1.86 2.04 -1.10 -2.75 117.51 118.87 3dya h ILE 167 Ca 0.17 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 3dya h ILE 167 Cb 0.22 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3dya h ILE 167 CO -0.27 0.24 -0.44 -0.07 0.00 0.00 0.00 178.15 177.60 3dya h LEU 168 N 0.89 0.00 -0.56 1.44 3.38 -0.18 -3.38 115.31 116.90 3dya h LEU 168 Ca 0.23 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.29 3dya h LEU 168 Cb 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 3dya h LEU 168 CO -0.03 0.44 -0.41 -0.08 0.09 0.00 0.00 178.44 178.45 3dya h GLU 169 N 0.00 -0.22 -0.89 1.13 4.81 -0.85 -0.81 114.58 117.75 3dya h GLU 169 Ca -0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3dya h GLU 169 Cb 0.91 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 3dya h GLU 169 CO 0.06 -0.15 0.57 -1.00 -0.73 0.00 0.00 179.01 177.76 3dya h PRO 170 N -0.23 1.03 -0.17 0.92 0.13 -1.75 -2.31 132.00 129.63 3dya h PRO 170 Ca 0.18 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 3dya h PRO 170 Cb 0.56 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 3dya h PRO 170 CO -0.67 0.68 -0.07 0.35 -0.23 0.00 0.00 178.00 178.06 3dya h PHE 171 N 1.06 0.27 -0.18 1.56 3.04 -1.40 -2.54 116.94 118.75 3dya h PHE 171 Ca 0.37 -0.02 -0.13 0.00 3.98 0.00 0.00 57.97 62.17 3dya h PHE 171 Cb 0.09 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.53 3dya h PHE 171 CO -0.02 0.34 -0.39 0.00 -2.02 0.00 0.00 178.31 176.22 3dya h ARG 172 N 0.25 0.59 -0.90 1.11 3.08 -0.93 -2.49 114.38 115.08 3dya h ARG 172 Ca 0.06 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.74 3dya h ARG 172 Cb 0.30 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 3dya h ARG 172 CO 0.01 1.00 0.59 0.87 -1.07 0.00 0.00 179.97 181.38 3dya h LYS 173 N 0.25 1.15 0.00 0.04 1.57 -1.14 -1.97 116.57 116.47 3dya h LYS 173 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3dya h LYS 173 Cb 0.99 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3dya h LYS 173 CO 0.09 0.76 0.00 1.96 -0.57 0.00 0.00 179.45 181.69 3dya h GLN 174 N 1.19 0.00 -1.95 3.15 1.08 -1.51 -3.37 115.11 113.70 3dya h GLN 174 Ca 0.34 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 57.05 3dya h GLN 174 Cb -0.08 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 26.95 3dya h GLN 174 CO -0.09 0.00 -1.07 0.09 -0.95 0.00 0.00 178.83 176.80 3dya n ASN 175 N -2.70 1.74 0.00 1.46 3.02 -0.80 -4.99 115.26 112.99 3dya n ASN 175 Ca 0.04 -3.14 0.04 0.00 -0.03 0.00 0.00 54.58 51.49 3dya n ASN 175 Cb 0.45 -0.59 0.22 0.00 -0.61 0.00 0.00 39.78 39.24 3dya n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3dya n PRO 176 N 0.12 0.11 -0.15 3.52 -0.04 -0.86 -1.79 135.00 135.91 3dya n PRO 176 Ca 0.25 0.22 0.05 0.00 -0.04 0.00 0.00 63.50 63.98 3dya n PRO 176 Cb 0.62 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.70 3dya n PRO 176 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dya n ASP 177 N -1.31 2.71 -4.73 3.54 5.68 -1.26 -4.93 116.55 116.24 3dya n ASP 177 Ca 0.04 -2.43 -0.38 0.00 -0.50 0.00 0.00 54.79 51.52 3dya n ASP 177 Cb 0.07 -0.26 -0.06 0.00 -1.14 0.00 0.00 41.12 39.73 3dya n ASP 177 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3dya s ILE 178 N -1.75 5.17 -0.18 2.12 -1.09 -0.74 -4.74 121.20 119.99 3dya s ILE 178 Ca 0.21 0.91 -0.19 0.00 -2.23 0.00 0.00 60.65 59.35 3dya s ILE 178 Cb 0.16 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 3dya s ILE 178 CO 0.07 0.36 0.56 -0.69 -1.23 0.00 0.00 174.94 174.01 3dya s VAL 179 N 0.41 5.08 -0.25 2.92 1.01 -0.07 -4.94 120.40 124.56 3dya s VAL 179 Ca 0.25 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.31 3dya s VAL 179 Cb -0.15 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.41 3dya s VAL 179 CO 0.10 0.17 -0.07 -0.63 0.00 0.00 0.00 175.10 174.67 3dya s ILE 180 N 1.58 1.86 -0.17 2.22 1.01 -1.26 -0.90 121.20 125.55 3dya s ILE 180 Ca 0.26 -1.47 -0.22 0.00 0.00 0.00 0.00 60.65 59.22 3dya s ILE 180 Cb -0.16 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 3dya s ILE 180 CO 0.10 -0.09 0.69 -0.31 0.00 0.00 0.00 174.94 175.33 3dya s TYR 181 N 1.23 3.42 -0.17 3.97 2.02 0.07 -4.92 117.35 122.97 3dya s TYR 181 Ca -0.07 1.06 -0.16 0.00 -0.37 0.00 0.00 57.07 57.53 3dya s TYR 181 Cb -0.19 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 3dya s TYR 181 CO -0.06 -0.14 0.40 -0.65 -1.57 0.00 0.00 175.55 173.53 3dya s GLN 182 N 1.78 4.23 -0.25 -0.62 -0.21 -1.26 -0.96 119.66 122.37 3dya s GLN 182 Ca 0.32 0.25 -0.02 0.00 0.02 0.00 0.00 55.36 55.93 3dya s GLN 182 Cb -0.16 -3.49 0.14 0.00 1.00 0.00 0.00 33.01 30.49 3dya s GLN 182 CO 0.12 0.05 0.38 -0.47 -2.12 0.00 0.00 175.29 173.25 3dya s TYR 183 N 1.01 -0.83 0.00 0.91 5.04 -0.97 -5.03 117.35 117.48 3dya s TYR 183 Ca 0.20 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 3dya s TYR 183 Cb -0.14 0.00 0.00 0.00 0.35 0.00 0.00 41.96 42.17 3dya s TYR 183 CO 0.08 -0.74 0.00 -1.33 -1.34 0.00 0.00 175.55 172.22 3dya n MET 184 N 5.36 0.00 -0.03 4.97 2.81 -1.26 -0.68 117.12 128.29 3dya n MET 184 Ca -0.03 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.96 3dya n MET 184 Cb 0.50 0.00 0.51 0.00 -0.71 0.00 0.00 33.22 33.52 3dya n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3dya n ASP 185 N 5.02 0.69 -4.75 7.83 8.00 -1.26 -4.91 116.55 127.16 3dya n ASP 185 Ca 0.00 -1.50 -0.25 0.00 0.71 0.00 0.00 54.79 53.75 3dya n ASP 185 Cb 0.00 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 3dya n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3dya s ASP 186 N -1.63 5.22 -0.05 -2.24 -0.00 0.14 -0.57 116.67 117.54 3dya s ASP 186 Ca 0.31 -0.27 0.01 0.00 -0.00 0.00 0.00 52.55 52.61 3dya s ASP 186 Cb 0.16 -1.26 0.02 0.00 -0.00 0.00 0.00 42.92 41.84 3dya s ASP 186 CO 0.25 0.05 -0.05 -0.22 -0.00 0.00 0.00 175.17 175.21 3dya s LEU 187 N -3.22 1.33 -0.14 1.23 2.96 0.51 -2.28 118.68 119.08 3dya s LEU 187 Ca 0.30 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 3dya s LEU 187 Cb -0.09 -0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.15 3dya s LEU 187 CO 0.22 -0.05 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.67 3dya s TYR 188 N 0.92 2.67 -0.09 5.38 4.12 -0.13 -1.43 117.35 128.79 3dya s TYR 188 Ca -0.11 -1.34 0.02 0.00 0.02 0.00 0.00 57.07 55.66 3dya s TYR 188 Cb -0.14 -1.82 0.01 0.00 -1.52 0.00 0.00 41.96 38.49 3dya s TYR 188 CO 0.00 -0.61 -0.14 0.08 0.02 0.00 0.00 175.55 174.90 3dya s VAL 189 N 0.81 1.37 -0.01 0.71 1.01 0.25 -0.75 120.40 123.79 3dya s VAL 189 Ca -0.07 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3dya s VAL 189 Cb -0.16 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3dya s VAL 189 CO -0.02 0.41 -0.04 -0.83 0.00 0.00 0.00 175.10 174.62 3dya s GLY 190 N 0.86 0.25 0.10 4.51 0.00 -0.08 0.80 107.32 113.76 3dya s GLY 190 Ca -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.43 3dya s GLY 190 CO 0.01 -0.03 0.09 -1.35 0.00 0.00 0.00 173.10 171.81 3dya s SER 191 N 0.10 0.30 -0.31 1.64 1.04 0.42 -0.89 113.70 116.00 3dya s SER 191 Ca -0.01 -0.97 0.11 0.00 0.48 0.00 0.00 55.95 55.56 3dya s SER 191 Cb -0.04 0.29 0.77 0.00 0.10 0.00 0.00 66.02 67.13 3dya s SER 191 CO -0.00 -0.71 1.80 0.47 0.98 0.00 0.00 173.24 175.78 3dya n ASP 192 N -0.03 5.03 -4.84 7.02 8.00 -1.26 -1.75 116.55 128.72 3dya n ASP 192 Ca -0.11 -3.18 -0.32 0.00 0.71 0.00 0.00 54.79 51.90 3dya n ASP 192 Cb 0.62 -0.74 -0.05 0.00 -0.02 0.00 0.00 41.12 40.94 3dya n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dya s LEU 193 N -2.96 3.83 0.71 0.64 1.43 -1.26 -4.85 118.68 116.22 3dya s LEU 193 Ca 0.55 1.47 -0.16 0.00 -1.03 0.00 0.00 54.13 54.96 3dya s LEU 193 Cb 0.44 -4.35 0.03 0.00 0.03 0.00 0.00 46.19 42.34 3dya s LEU 193 CO 0.14 -0.42 1.23 -1.61 0.23 0.00 0.00 176.35 175.92 3dya s GLU 194 N -3.59 2.20 0.21 1.70 8.01 -1.26 -4.55 118.70 121.43 3dya s GLU 194 Ca 0.57 1.86 -0.17 0.00 0.01 0.00 0.00 54.97 57.24 3dya s GLU 194 Cb -0.10 -1.83 0.21 0.00 -4.31 0.00 0.00 34.13 28.10 3dya s GLU 194 CO 0.24 -1.81 1.46 1.51 0.01 0.00 0.00 175.26 176.67 3dya n ILE 195 N -2.53 -0.51 0.02 -1.63 3.06 -1.26 -1.47 119.36 115.04 3dya n ILE 195 Ca 0.14 2.22 -0.06 0.00 -2.50 0.00 0.00 62.75 62.55 3dya n ILE 195 Cb 0.50 -2.91 0.14 0.00 0.54 0.00 0.00 39.64 37.90 3dya n ILE 195 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 3dya h GLY 196 N 0.00 0.50 1.95 4.50 0.00 -1.99 -1.20 103.07 106.83 3dya h GLY 196 Ca 0.32 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3dya h GLY 196 CO -0.93 0.45 -0.23 1.46 0.00 0.00 0.00 176.54 177.28 3dya h GLN 197 N 0.38 0.06 0.04 4.80 4.20 -1.61 -2.70 115.11 120.30 3dya h GLN 197 Ca 0.03 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3dya h GLN 197 Cb 0.87 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.65 3dya h GLN 197 CO 0.07 0.30 -0.02 1.25 -0.67 0.00 0.00 178.83 179.76 3dya h HIS 198 N 0.06 -0.05 -1.24 2.96 2.76 -0.97 -2.18 115.15 116.48 3dya h HIS 198 Ca 0.01 -0.00 0.39 0.00 -2.20 0.00 0.00 60.37 58.57 3dya h HIS 198 Cb 0.45 0.02 -0.12 0.00 1.55 0.00 0.00 27.41 29.31 3dya h HIS 198 CO 0.00 0.45 0.80 0.00 -1.30 0.00 0.00 177.93 177.89 3dya h ARG 199 N -0.97 0.16 0.20 5.26 3.08 -1.30 0.34 114.38 121.15 3dya h ARG 199 Ca -0.01 -0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.72 3dya h ARG 199 Cb 0.53 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.57 3dya h ARG 199 CO 0.01 0.11 -1.42 1.15 -1.07 0.00 0.00 179.97 178.75 3dya h THR 200 N 0.16 1.33 -0.29 2.04 2.02 -1.53 -2.69 112.91 113.96 3dya h THR 200 Ca 0.76 -2.83 -0.08 0.00 0.77 0.00 0.00 66.41 65.03 3dya h THR 200 Cb 2.29 2.97 -0.02 0.00 -1.74 0.00 0.00 68.15 71.66 3dya h THR 200 CO -0.38 0.85 -0.15 0.50 0.37 0.00 0.00 175.52 176.71 3dya h LYS 201 N 0.11 0.49 -0.25 6.66 1.63 -0.23 -2.56 116.57 122.43 3dya h LYS 201 Ca -0.22 -0.15 -0.09 0.00 -0.85 0.00 0.00 60.65 59.35 3dya h LYS 201 Cb 2.09 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.66 3dya h LYS 201 CO 0.24 0.63 -0.18 0.82 -3.45 0.00 0.00 179.45 177.51 3dya h ILE 202 N 0.45 1.31 -0.77 2.00 1.08 -0.49 -2.22 117.51 118.87 3dya h ILE 202 Ca 0.08 -1.31 0.09 0.00 -0.39 0.00 0.00 64.86 63.33 3dya h ILE 202 Cb 0.53 1.60 -0.07 0.00 -3.07 0.00 0.00 36.82 35.81 3dya h ILE 202 CO 0.03 0.41 0.42 -0.33 -0.69 0.00 0.00 178.15 178.00 3dya h GLU 203 N 0.29 0.70 0.00 2.37 3.07 -1.39 0.41 114.58 120.04 3dya h GLU 203 Ca 0.05 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3dya h GLU 203 Cb 0.72 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3dya h GLU 203 CO 0.05 0.46 -0.20 1.05 -1.40 0.00 0.00 179.01 178.97 3dya h GLU 204 N 0.72 0.00 0.22 2.33 4.11 -1.39 0.08 114.58 120.66 3dya h GLU 204 Ca 0.37 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.79 3dya h GLU 204 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3dya h GLU 204 CO -0.25 0.20 -0.11 1.25 0.07 0.00 0.00 179.01 180.17 3dya h LEU 205 N 0.00 -0.25 -0.97 3.06 5.85 -0.72 -0.44 115.31 121.84 3dya h LEU 205 Ca -0.00 -0.27 0.22 0.00 0.84 0.00 0.00 57.88 58.67 3dya h LEU 205 Cb 0.94 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.91 3dya h LEU 205 CO 0.03 0.19 0.55 0.03 -0.34 0.00 0.00 178.44 178.90 3dya h ARG 206 N -0.77 0.57 -0.07 1.25 3.08 -0.10 0.31 114.38 118.65 3dya h ARG 206 Ca -0.03 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3dya h ARG 206 Cb 0.51 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.43 3dya h ARG 206 CO 0.05 0.38 -0.44 1.96 -1.07 0.00 0.00 179.97 180.85 3dya h GLN 207 N 0.58 0.42 -1.00 0.04 1.08 -0.99 0.95 115.11 116.19 3dya h GLN 207 Ca 0.60 -0.36 0.11 0.00 -1.45 0.00 0.00 58.65 57.55 3dya h GLN 207 Cb 1.09 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.52 3dya h GLN 207 CO -0.46 1.00 0.64 1.25 -0.95 0.00 0.00 178.83 180.31 3dya h HIS 208 N -0.04 1.15 -0.16 2.96 2.76 -0.36 -1.04 115.15 120.42 3dya h HIS 208 Ca -0.03 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 3dya h HIS 208 Cb 1.10 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 29.69 3dya h HIS 208 CO 0.13 0.50 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.09 3dya h LEU 209 N 1.04 0.36 -1.74 0.26 3.38 -0.20 -3.15 115.31 115.25 3dya h LEU 209 Ca 0.48 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3dya h LEU 209 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3dya h LEU 209 CO -0.24 0.71 -0.03 0.25 0.09 0.00 0.00 178.44 179.22 3dya h LEU 210 N 0.01 0.11 -2.56 1.67 6.46 -0.30 0.11 115.31 120.81 3dya h LEU 210 Ca 0.03 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3dya h LEU 210 Cb 0.58 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 3dya h LEU 210 CO 0.03 0.16 -0.01 0.03 -0.62 0.00 0.00 178.44 178.03 3dya h ARG 211 N 0.13 0.00 -0.29 1.25 3.08 -1.17 -2.70 114.38 114.68 3dya h ARG 211 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3dya h ARG 211 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3dya h ARG 211 CO 0.00 0.01 0.00 0.91 -1.07 0.00 0.00 179.97 179.83 3dya n TRP 212 N -3.24 0.90 -0.42 3.04 7.02 0.34 -4.80 117.44 120.27 3dya n TRP 212 Ca -0.02 -0.80 0.00 0.00 -1.02 0.00 0.00 57.50 55.65 3dya n TRP 212 Cb 0.13 -0.27 0.00 0.00 -2.42 0.00 0.00 31.31 28.75 3dya n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3dya n GLY 213 N -0.28 0.74 3.32 6.99 0.00 -1.02 -4.11 105.19 110.83 3dya n GLY 213 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3dya n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dya s LEU 214 N 0.00 3.82 0.41 0.99 1.43 -0.98 -4.39 118.68 119.96 3dya s LEU 214 Ca 0.00 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 3dya s LEU 214 Cb 0.00 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3dya s LEU 214 CO 0.00 -0.19 0.66 0.42 0.23 0.00 0.00 176.35 177.46 3dya s THR 215 N 1.47 4.97 0.08 5.49 -4.23 -1.26 -2.75 115.64 119.41 3dya s THR 215 Ca 0.02 -0.18 -0.17 0.00 -1.18 0.00 0.00 61.69 60.18 3dya s THR 215 Cb -0.17 -3.85 0.04 0.00 1.34 0.00 0.00 72.50 69.86 3dya s THR 215 CO 0.02 -0.67 0.40 0.28 -0.54 0.00 0.00 174.62 174.11 3dya s THR 216 N -2.51 0.06 0.30 3.99 -1.32 -1.26 -1.62 115.64 113.27 3dya s THR 216 Ca 0.44 -0.52 -0.29 0.00 -1.21 0.00 0.00 61.69 60.10 3dya s THR 216 Cb -0.10 -1.06 -0.10 0.00 -1.51 0.00 0.00 72.50 69.73 3dya s THR 216 CO 0.40 -0.29 1.18 -2.16 -2.21 0.00 0.00 174.62 171.54 3dya s PRO 217 N -3.12 4.53 0.81 7.08 0.04 -1.26 -4.97 135.00 138.10 3dya s PRO 217 Ca -0.01 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 3dya s PRO 217 Cb 0.01 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 3dya s PRO 217 CO -0.07 0.06 -0.03 -3.47 0.04 0.00 0.00 177.00 173.53 3dya n ASP 218 N 1.08 -3.31 0.34 6.66 -0.08 -1.26 -4.71 116.55 115.27 3dya n ASP 218 Ca -0.01 0.43 0.22 0.00 -1.51 0.00 0.00 54.79 53.92 3dya n ASP 218 Cb 0.44 -1.01 1.15 0.00 2.34 0.00 0.00 41.12 44.04 3dya n ASP 218 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dya h LYS 219 N -0.70 0.00 0.00 -0.67 1.57 -1.96 0.01 116.57 114.82 3dya h LYS 219 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3dya h LYS 219 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 3dya h LYS 219 CO 0.35 0.00 -0.38 0.87 -0.57 0.00 0.00 179.45 179.72 3dya h LYS 220 N 0.00 0.00 0.00 3.15 1.57 -2.03 -3.36 116.57 115.90 3dya h LYS 220 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dya h LYS 220 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3dya h LYS 220 CO 0.00 0.00 -1.19 0.72 -0.57 0.00 0.00 179.45 178.41 3dya n HIS 221 N -2.65 0.00 -1.67 -1.35 8.25 -0.45 -5.00 115.22 112.35 3dya n HIS 221 Ca 0.03 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.05 3dya n HIS 221 Cb 0.50 -0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.42 3dya n HIS 221 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3dya n GLN 222 N -1.68 1.98 -1.67 -0.41 6.02 -0.14 -4.94 117.38 116.54 3dya n GLN 222 Ca -0.01 0.70 -0.37 0.00 -0.01 0.00 0.00 57.00 57.32 3dya n GLN 222 Cb 0.25 -2.30 0.07 0.00 1.02 0.00 0.00 30.24 29.28 3dya n GLN 222 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dya n LYS 223 N 1.43 1.02 -4.30 -1.09 5.02 -1.26 -5.04 118.16 113.94 3dya n LYS 223 Ca 0.09 0.41 -0.32 0.00 -2.02 0.00 0.00 58.31 56.47 3dya n LYS 223 Cb 0.33 -2.50 -0.09 0.00 -0.02 0.00 0.00 35.03 32.74 3dya n LYS 223 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3dya s GLU 224 N -3.40 2.58 0.61 1.97 2.02 -1.26 -4.73 118.70 116.49 3dya s GLU 224 Ca 0.82 -0.75 -0.19 0.00 0.02 0.00 0.00 54.97 54.87 3dya s GLU 224 Cb -0.37 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.29 3dya s GLU 224 CO 0.41 0.58 1.32 -1.25 0.02 0.00 0.00 175.26 176.34 3dya s PRO 225 N -1.76 2.74 0.31 0.39 0.04 -1.26 -4.35 135.00 131.12 3dya s PRO 225 Ca 0.20 2.12 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 3dya s PRO 225 Cb -0.11 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 3dya s PRO 225 CO 0.12 -1.47 1.17 -1.25 0.04 0.00 0.00 177.00 175.61 3dya s PRO 226 N -3.23 4.49 -0.14 0.56 0.04 -1.26 -5.05 135.00 130.40 3dya s PRO 226 Ca 0.79 1.94 -0.24 0.00 0.04 0.00 0.00 61.00 63.53 3dya s PRO 226 Cb -0.38 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 3dya s PRO 226 CO 0.42 0.03 0.78 -0.06 0.04 0.00 0.00 177.00 178.21 3dya s PHE 227 N -1.18 3.46 -0.51 0.56 0.08 -0.63 -4.84 117.98 114.90 3dya s PHE 227 Ca 0.47 1.23 -0.22 0.00 0.12 0.00 0.00 56.93 58.53 3dya s PHE 227 Cb -0.34 -2.94 0.04 0.00 -0.57 0.00 0.00 43.02 39.21 3dya s PHE 227 CO 0.45 -0.15 0.81 -0.51 -0.10 0.00 0.00 175.22 175.71 3dya s LEU 228 N 1.77 4.40 -0.13 -0.37 1.43 -1.26 -0.45 118.68 124.07 3dya s LEU 228 Ca 0.37 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3dya s LEU 228 Cb -0.17 -2.73 0.05 0.00 0.03 0.00 0.00 46.19 43.36 3dya s LEU 228 CO 0.14 -1.05 0.05 0.86 0.23 0.00 0.00 176.35 176.58 3dya s TRP 229 N 3.39 0.53 -1.44 0.29 -0.00 -0.65 -4.91 118.94 116.16 3dya s TRP 229 Ca 0.25 -0.34 -0.09 0.00 -0.00 0.00 0.00 56.10 55.92 3dya s TRP 229 Cb -0.14 -0.78 0.02 0.00 -0.00 0.00 0.00 33.47 32.57 3dya s TRP 229 CO 0.18 -0.44 0.99 -0.12 -0.00 0.00 0.00 176.95 177.55 3dya n MET 230 N 5.18 -6.67 -0.79 5.86 1.56 -1.26 -0.90 117.12 120.10 3dya n MET 230 Ca -0.07 0.80 0.00 0.00 -0.27 0.00 0.00 57.70 58.16 3dya n MET 230 Cb 0.49 -5.77 0.00 0.00 2.15 0.00 0.00 33.22 30.09 3dya n MET 230 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3dya n GLY 231 N -1.81 0.82 3.81 -5.12 0.00 -1.26 -5.04 105.19 96.59 3dya n GLY 231 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 3dya n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dya s TYR 232 N -3.19 2.76 -0.15 1.61 2.02 -0.08 -1.29 117.35 119.02 3dya s TYR 232 Ca 0.00 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 3dya s TYR 232 Cb 0.00 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 3dya s TYR 232 CO 0.00 0.14 -0.18 -1.21 -1.57 0.00 0.00 175.55 172.73 3dya s GLU 233 N -3.98 2.71 -0.42 -0.62 2.02 0.34 -1.63 118.70 117.12 3dya s GLU 233 Ca 0.42 -0.72 -0.06 0.00 0.02 0.00 0.00 54.97 54.62 3dya s GLU 233 Cb -0.03 -2.33 0.10 0.00 0.10 0.00 0.00 34.13 31.97 3dya s GLU 233 CO 0.25 -0.16 0.24 -0.51 0.02 0.00 0.00 175.26 175.10 3dya s LEU 234 N 1.21 5.21 0.45 1.80 1.43 0.40 -1.50 118.68 127.69 3dya s LEU 234 Ca 0.01 -1.76 0.02 0.00 -1.03 0.00 0.00 54.13 51.37 3dya s LEU 234 Cb -0.14 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.17 3dya s LEU 234 CO -0.09 -0.55 0.66 -1.00 0.23 0.00 0.00 176.35 175.60 3dya s HIS 235 N 1.30 3.13 0.47 0.29 3.76 -0.28 -1.61 115.29 122.34 3dya s HIS 235 Ca 0.05 0.11 0.28 0.00 -0.15 0.00 0.00 55.06 55.34 3dya s HIS 235 Cb -0.23 -2.36 1.34 0.00 1.11 0.00 0.00 32.58 32.43 3dya s HIS 235 CO -0.01 -0.41 1.78 -1.35 -0.85 0.00 0.00 174.74 173.89 3dya h PRO 236 N 0.41 0.18 0.00 8.40 0.11 -1.97 -3.26 132.00 135.87 3dya h PRO 236 Ca -0.45 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3dya h PRO 236 Cb 1.26 -0.04 -0.16 0.00 0.11 0.00 0.00 31.00 32.17 3dya h PRO 236 CO 0.55 0.12 -0.62 -0.40 -0.21 0.00 0.00 178.00 177.45 3dya n ASP 237 N -4.42 0.26 -3.73 -2.05 5.68 -1.26 -4.80 116.55 106.22 3dya n ASP 237 Ca 0.26 -1.88 -0.09 0.00 -0.50 0.00 0.00 54.79 52.59 3dya n ASP 237 Cb 1.09 -0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 40.89 3dya n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3dya s LYS 238 N 0.00 1.58 0.04 0.11 -2.85 -1.23 -4.58 119.74 112.81 3dya s LYS 238 Ca 0.13 -0.85 -0.02 0.00 -1.00 0.00 0.00 55.97 54.23 3dya s LYS 238 Cb 0.15 0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 36.47 3dya s LYS 238 CO -0.06 -0.71 -0.00 1.67 0.10 0.00 0.00 175.35 176.35 3dya s TRP 239 N -3.87 0.37 0.32 1.78 1.48 -0.25 -1.13 118.94 117.64 3dya s TRP 239 Ca 0.09 -0.78 -0.06 0.00 -1.06 0.00 0.00 56.10 54.29 3dya s TRP 239 Cb -0.04 -0.27 0.02 0.00 -1.16 0.00 0.00 33.47 32.03 3dya s TRP 239 CO 0.00 -0.32 0.52 -2.37 -4.06 0.00 0.00 176.95 170.73 3dya n THR 240 N 0.72 0.00 -3.28 0.66 5.66 -0.56 0.88 114.28 118.35 3dya n THR 240 Ca -0.18 -1.29 -0.31 0.00 -3.05 0.00 0.00 64.05 59.21 3dya n THR 240 Cb 0.59 0.92 -0.05 0.00 -1.55 0.00 0.00 70.33 70.24 3dya n THR 240 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3dya s VAL 241 N -2.56 4.88 0.78 1.08 -7.23 -1.26 -0.50 120.40 115.58 3dya s VAL 241 Ca 0.21 0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 60.79 3dya s VAL 241 Cb -0.02 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.34 3dya s VAL 241 CO 0.15 -0.18 1.13 -1.10 -0.31 0.00 0.00 175.10 174.79 3dya s GLN 242 N -3.07 2.03 0.18 4.82 -0.21 -0.41 -4.65 119.66 118.34 3dya s GLN 242 Ca 0.49 1.40 -0.33 0.00 0.02 0.00 0.00 55.36 56.94 3dya s GLN 242 Cb -0.11 -1.85 -0.14 0.00 1.00 0.00 0.00 33.01 31.90 3dya s GLN 242 CO 0.23 -1.85 1.44 -2.30 -2.12 0.00 0.00 175.29 170.69 3dya n PRO 243 N -3.36 1.84 -3.81 2.91 -0.02 -1.26 -4.97 135.00 126.33 3dya n PRO 243 Ca 0.11 0.66 -0.36 0.00 -2.02 0.00 0.00 63.50 61.89 3dya n PRO 243 Cb 0.52 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.54 3dya n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dya s ILE 244 N 0.41 4.66 -0.22 4.25 -1.09 -1.26 -5.08 121.20 122.86 3dya s ILE 244 Ca 0.76 -0.06 -0.05 0.00 -2.23 0.00 0.00 60.65 59.06 3dya s ILE 244 Cb -0.73 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 3dya s ILE 244 CO 0.45 0.36 0.00 -0.69 -1.23 0.00 0.00 174.94 173.83 3dya s VAL 245 N 1.23 3.87 -0.43 2.92 1.01 -1.26 -5.08 120.40 122.66 3dya s VAL 245 Ca 0.05 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 3dya s VAL 245 Cb -0.14 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.49 3dya s VAL 245 CO 0.04 0.41 0.74 -0.76 0.00 0.00 0.00 175.10 175.53 3dya s LEU 246 N 1.26 4.30 0.51 3.92 1.43 -1.26 -5.03 118.68 123.80 3dya s LEU 246 Ca 0.04 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 52.82 3dya s LEU 246 Cb -0.15 -2.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.09 3dya s LEU 246 CO 0.01 -0.85 0.86 -0.81 0.23 0.00 0.00 176.35 175.79 3dya n PRO 247 N 6.54 0.97 -3.63 1.29 -0.04 -1.26 -4.98 135.00 133.89 3dya n PRO 247 Ca 0.01 0.36 -0.37 0.00 -0.04 0.00 0.00 63.50 63.46 3dya n PRO 247 Cb 0.48 -1.98 -0.10 0.00 -0.04 0.00 0.00 33.50 31.87 3dya n PRO 247 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3dya s GLU 248 N -2.25 4.05 0.01 0.54 2.56 -1.26 -5.09 118.70 117.26 3dya s GLU 248 Ca 0.69 -0.25 0.01 0.00 0.00 0.00 0.00 54.97 55.41 3dya s GLU 248 Cb -0.49 -3.57 -0.01 0.00 2.00 0.00 0.00 34.13 32.07 3dya s GLU 248 CO 0.53 0.00 -0.03 0.15 -0.56 0.00 0.00 175.26 175.35 3dya s LYS 249 N 1.23 0.26 -0.01 4.30 1.02 -1.26 -5.04 119.74 120.23 3dya s LYS 249 Ca 0.08 -0.23 -0.24 0.00 0.02 0.00 0.00 55.97 55.60 3dya s LYS 249 Cb -0.14 -0.17 -0.17 0.00 -0.52 0.00 0.00 37.83 36.82 3dya s LYS 249 CO 0.06 0.04 1.18 -0.44 -0.92 0.00 0.00 175.35 175.27 3dya h ASP 250 N 5.72 -0.21 -3.30 2.83 5.19 -2.05 -3.44 116.42 121.17 3dya h ASP 250 Ca -0.28 -0.29 -0.66 0.00 -0.62 0.00 0.00 57.03 55.18 3dya h ASP 250 Cb 1.20 0.05 -0.29 0.00 0.18 0.00 0.00 39.33 40.47 3dya h ASP 250 CO 0.48 0.21 -0.79 -0.44 -3.12 0.00 0.00 179.24 175.59 3dya s SER 251 N -5.33 3.78 -0.23 6.45 0.01 -1.26 -5.03 113.70 112.09 3dya s SER 251 Ca -0.14 -0.43 -0.10 0.00 1.31 0.00 0.00 55.95 56.59 3dya s SER 251 Cb 0.02 -1.58 -0.05 0.00 0.21 0.00 0.00 66.02 64.62 3dya s SER 251 CO 0.57 0.10 0.14 0.26 0.41 0.00 0.00 173.24 174.71 3dya s TRP 252 N 0.74 3.27 0.63 2.43 0.52 -1.26 -5.03 118.94 120.25 3dya s TRP 252 Ca -0.06 0.12 -0.08 0.00 0.02 0.00 0.00 56.10 56.10 3dya s TRP 252 Cb -0.15 -2.24 0.01 0.00 -1.15 0.00 0.00 33.47 29.94 3dya s TRP 252 CO 0.01 0.02 0.97 0.95 0.02 0.00 0.00 176.95 178.92 3dya s THR 253 N 1.06 3.52 0.16 2.01 -4.23 -1.26 -0.32 115.64 116.58 3dya s THR 253 Ca 0.07 0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 60.54 3dya s THR 253 Cb -0.14 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.35 3dya s THR 253 CO 0.04 -0.49 1.67 0.58 -0.54 0.00 0.00 174.62 175.88 3dya h VAL 254 N -0.36 0.61 -0.86 2.29 2.07 -0.98 -1.50 116.25 117.52 3dya h VAL 254 Ca -0.45 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.27 3dya h VAL 254 Cb 1.26 0.61 -0.12 0.00 -1.52 0.00 0.00 31.29 31.51 3dya h VAL 254 CO 0.62 0.00 0.33 -1.13 0.02 0.00 0.00 177.57 177.41 3dya h ASN 255 N -0.01 0.24 0.09 0.57 -1.24 -1.00 -1.87 115.58 112.36 3dya h ASN 255 Ca 0.18 0.15 -0.17 0.00 0.71 0.00 0.00 56.30 57.18 3dya h ASN 255 Cb 0.29 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 3dya h ASN 255 CO -0.39 -0.01 -0.60 0.44 -1.29 0.00 0.00 177.43 175.57 3dya h ASP 256 N 0.36 0.58 -0.11 1.15 3.32 -1.57 -2.56 116.42 117.59 3dya h ASP 256 Ca 0.52 -0.33 -0.17 0.00 0.02 0.00 0.00 57.03 57.07 3dya h ASP 256 Cb 0.97 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.36 3dya h ASP 256 CO -0.53 1.05 -0.60 0.40 -1.72 0.00 0.00 179.24 177.84 3dya h ILE 257 N 0.38 1.34 -0.37 0.35 2.04 -1.03 -1.27 117.51 118.95 3dya h ILE 257 Ca -0.00 -1.89 0.05 0.00 1.00 0.00 0.00 64.86 64.02 3dya h ILE 257 Cb 1.15 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 39.33 3dya h ILE 257 CO 0.11 0.58 0.09 1.56 0.00 0.00 0.00 178.15 180.49 3dya h GLN 258 N 0.25 0.22 -0.74 2.37 4.20 -1.39 0.29 115.11 120.31 3dya h GLN 258 Ca -0.04 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3dya h GLN 258 Cb 1.24 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.94 3dya h GLN 258 CO 0.12 0.14 0.30 0.87 -0.67 0.00 0.00 178.83 179.60 3dya h LYS 259 N 0.22 1.08 -0.19 1.46 1.57 -1.38 -1.16 116.57 118.18 3dya h LYS 259 Ca 0.17 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3dya h LYS 259 Cb 0.18 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3dya h LYS 259 CO -0.21 0.87 0.03 1.25 -0.57 0.00 0.00 179.45 180.83 3dya h LEU 260 N 1.06 0.01 -0.37 2.94 6.46 -0.81 -1.31 115.31 123.29 3dya h LEU 260 Ca 0.25 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 58.01 3dya h LEU 260 Cb 0.19 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 3dya h LEU 260 CO -0.02 0.03 0.13 0.58 -0.62 0.00 0.00 178.44 178.54 3dya h VAL 261 N 0.11 1.20 -0.66 1.05 2.07 -0.62 0.15 116.25 119.54 3dya h VAL 261 Ca 0.08 -0.65 0.12 0.00 0.82 0.00 0.00 66.70 67.07 3dya h VAL 261 Cb 0.08 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 3dya h VAL 261 CO -0.11 0.23 0.23 1.23 0.02 0.00 0.00 177.57 179.17 3dya h GLY 262 N 0.45 0.94 0.86 2.17 0.00 -1.12 0.13 103.07 106.49 3dya h GLY 262 Ca 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 3dya h GLY 262 CO -0.01 -0.07 -0.07 0.50 0.00 0.00 0.00 176.54 176.90 3dya h LYS 263 N 0.39 0.51 -0.27 4.80 1.57 -0.75 -1.29 116.57 121.52 3dya h LYS 263 Ca 0.35 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3dya h LYS 263 Cb 0.49 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3dya h LYS 263 CO -0.37 0.73 0.13 -0.07 -0.57 0.00 0.00 179.45 179.30 3dya h LEU 264 N 0.25 0.18 -0.57 2.94 3.38 -0.64 -0.04 115.31 120.82 3dya h LEU 264 Ca 0.07 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3dya h LEU 264 Cb 0.54 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3dya h LEU 264 CO 0.03 0.14 0.20 0.78 0.09 0.00 0.00 178.44 179.68 3dya h ASN 265 N 0.27 0.18 -0.48 -0.43 2.35 -0.70 0.19 115.58 116.96 3dya h ASN 265 Ca 0.11 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3dya h ASN 265 Cb 0.05 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3dya h ASN 265 CO -0.09 0.12 0.28 -0.25 -1.65 0.00 0.00 177.43 175.84 3dya h TRP 266 N 0.37 0.52 -0.08 1.19 2.91 -0.80 -2.79 115.95 117.28 3dya h TRP 266 Ca 0.28 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.25 3dya h TRP 266 Cb 0.34 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 3dya h TRP 266 CO -0.17 0.30 -0.28 0.00 -1.03 0.00 0.00 178.44 177.25 3dya h ALA 267 N 1.22 1.39 0.00 2.65 0.00 -0.06 -3.09 119.26 121.37 3dya h ALA 267 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dya h ALA 267 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dya h ALA 267 CO -0.09 0.43 0.13 0.66 0.00 0.00 0.00 179.25 180.38 3dya h SER 268 N 0.12 0.00 0.92 0.00 4.64 -0.37 -1.12 113.55 117.75 3dya h SER 268 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3dya h SER 268 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3dya h SER 268 CO 0.04 0.00 -0.03 1.56 -0.87 0.00 0.00 176.83 177.53 3dya h GLN 269 N 0.00 0.00 0.00 4.77 4.20 -1.66 -3.17 115.11 119.25 3dya h GLN 269 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dya h GLN 269 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3dya h GLN 269 CO 0.00 0.03 -0.08 1.51 -0.67 0.00 0.00 178.83 179.62 3dya n ILE 270 N -3.14 0.00 -2.89 2.54 0.13 -0.82 -0.85 119.36 114.32 3dya n ILE 270 Ca 0.00 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.22 3dya n ILE 270 Cb 0.30 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.06 3dya n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3dya s TYR 271 N -0.45 2.99 0.51 9.51 2.02 -0.49 -4.76 117.35 126.68 3dya s TYR 271 Ca 0.00 0.37 -0.22 0.00 -0.37 0.00 0.00 57.07 56.85 3dya s TYR 271 Cb 0.00 -3.74 -0.06 0.00 -0.40 0.00 0.00 41.96 37.76 3dya s TYR 271 CO 0.00 -0.97 1.23 -2.14 -1.57 0.00 0.00 175.55 172.10 3dya s PRO 272 N 3.46 3.43 0.00 -1.71 0.02 -1.26 -3.75 135.00 135.18 3dya s PRO 272 Ca 0.34 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3dya s PRO 272 Cb -0.11 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.13 3dya s PRO 272 CO 0.23 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 3dya n GLY 273 N 0.54 0.73 3.71 0.52 0.00 -1.26 -5.00 105.19 104.43 3dya n GLY 273 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3dya n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dya n ILE 274 N -2.53 0.49 -4.46 -0.61 2.08 -1.25 -4.93 119.36 108.15 3dya n ILE 274 Ca 0.00 -0.12 -0.25 0.00 0.56 0.00 0.00 62.75 62.94 3dya n ILE 274 Cb 0.00 -1.81 -0.13 0.00 -0.75 0.00 0.00 39.64 36.95 3dya n ILE 274 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3dya s LYS 275 N 0.32 1.28 0.00 0.38 1.02 -1.26 -4.95 119.74 116.53 3dya s LYS 275 Ca 0.71 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 55.60 3dya s LYS 275 Cb -0.56 -1.51 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3dya s LYS 275 CO 0.41 0.37 0.04 1.55 -0.92 0.00 0.00 175.35 176.80 3dya n VAL 276 N 1.38 0.00 0.23 3.17 3.14 -1.26 -4.91 118.33 120.08 3dya n VAL 276 Ca -0.18 -0.05 -0.15 0.00 -2.96 0.00 0.00 64.34 61.00 3dya n VAL 276 Cb 0.53 1.84 -0.08 0.00 -1.06 0.00 0.00 33.84 35.07 3dya n VAL 276 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3dya h ARG 277 N 0.00 -0.54 0.00 1.45 2.43 -1.99 -1.46 114.38 114.27 3dya h ARG 277 Ca 0.00 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3dya h ARG 277 Cb 0.42 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3dya h ARG 277 CO 0.00 -0.28 -0.27 1.96 -1.51 0.00 0.00 179.97 179.87 3dya h GLN 278 N -0.70 0.00 -0.05 0.20 1.08 -1.91 -0.91 115.11 112.82 3dya h GLN 278 Ca -0.06 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.93 3dya h GLN 278 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3dya h GLN 278 CO 0.09 0.27 -0.85 -0.07 -0.95 0.00 0.00 178.83 177.32 3dya h LEU 279 N 0.00 0.58 -0.60 1.46 3.38 -1.86 -3.22 115.31 115.05 3dya h LEU 279 Ca -0.00 -0.43 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 3dya h LEU 279 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3dya h LEU 279 CO 0.04 1.20 -0.57 0.00 0.09 0.00 0.00 178.44 179.20 3dya h LYS 281 N 0.30 0.49 0.00 0.00 1.57 -1.23 -0.23 116.57 117.47 3dya h LYS 281 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3dya h LYS 281 Cb 1.09 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 3dya h LYS 281 CO 0.10 0.32 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.23 3dya h LEU 282 N 0.50 0.00 -2.42 2.94 3.38 -1.52 -2.93 115.31 115.27 3dya h LEU 282 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3dya h LEU 282 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3dya h LEU 282 CO -0.09 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.62 3dya n LEU 283 N -3.13 3.67 -4.24 1.67 4.77 -0.10 -4.81 117.00 114.84 3dya n LEU 283 Ca -0.03 -1.86 -0.41 0.00 -0.03 0.00 0.00 56.01 53.69 3dya n LEU 283 Cb 0.09 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 3dya n LEU 283 CO 0.21 0.58 -0.04 -0.13 -1.33 0.00 0.00 177.39 176.68 3dya s ARG 284 N -1.87 2.56 0.00 3.23 0.52 -1.11 -4.73 118.95 117.55 3dya s ARG 284 Ca 0.36 -1.65 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 3dya s ARG 284 Cb 0.24 -3.90 0.00 0.00 0.52 0.00 0.00 34.95 31.81 3dya s ARG 284 CO 0.16 -1.11 0.19 0.41 0.02 0.00 0.00 175.30 174.96 3dya n GLY 285 N 4.94 0.47 0.94 -3.53 0.00 -1.26 -5.00 105.19 101.75 3dya n GLY 285 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3dya n GLY 285 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dya n THR 286 N 0.00 0.25 -3.86 2.61 5.66 -1.26 -5.02 114.28 112.66 3dya n THR 286 Ca 0.00 -0.56 -0.32 0.00 -3.05 0.00 0.00 64.05 60.12 3dya n THR 286 Cb 0.24 1.01 -0.04 0.00 -1.55 0.00 0.00 70.33 69.98 3dya n THR 286 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3dya s LYS 287 N -1.75 3.48 0.32 1.09 3.01 -1.26 -5.06 119.74 119.58 3dya s LYS 287 Ca 0.34 -0.32 -0.29 0.00 -1.01 0.00 0.00 55.97 54.69 3dya s LYS 287 Cb 0.21 -3.02 -0.10 0.00 -1.01 0.00 0.00 37.83 33.90 3dya s LYS 287 CO 0.31 0.60 1.27 0.00 0.51 0.00 0.00 175.35 178.04 3dya s ALA 288 N -1.48 3.48 0.13 5.17 0.00 -1.26 -4.96 121.76 122.85 3dya s ALA 288 Ca 0.34 1.21 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 3dya s ALA 288 Cb -0.13 -3.46 0.12 0.00 0.00 0.00 0.00 23.12 19.65 3dya s ALA 288 CO 0.24 -0.57 0.95 -0.11 0.00 0.00 0.00 175.76 176.28 3dya n LEU 289 N 0.87 -0.44 -0.85 0.00 7.94 -1.26 -1.03 117.00 122.23 3dya n LEU 289 Ca -0.00 1.08 0.12 0.00 -1.11 0.00 0.00 56.01 56.09 3dya n LEU 289 Cb 0.42 -0.23 0.27 0.00 0.53 0.00 0.00 43.42 44.41 3dya n LEU 289 CO 0.58 -0.95 0.73 0.35 -1.11 0.00 0.00 177.39 176.99 3dya n THR 290 N -4.88 0.20 -1.86 1.96 -2.24 -1.26 -0.38 114.28 105.82 3dya n THR 290 Ca 0.05 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 3dya n THR 290 Cb 0.23 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 3dya n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dya s GLU 291 N -1.80 4.18 0.10 -0.78 2.12 -0.20 -4.76 118.70 117.56 3dya s GLU 291 Ca 0.34 2.46 -0.28 0.00 0.36 0.00 0.00 54.97 57.84 3dya s GLU 291 Cb 0.21 -3.11 -0.06 0.00 0.26 0.00 0.00 34.13 31.43 3dya s GLU 291 CO 0.30 -0.64 0.90 0.08 -0.54 0.00 0.00 175.26 175.36 3dya s VAL 292 N 0.93 4.55 -0.21 3.70 1.01 -1.26 -1.10 120.40 128.02 3dya s VAL 292 Ca 0.70 1.94 -0.01 0.00 0.00 0.00 0.00 61.98 64.60 3dya s VAL 292 Cb -0.46 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 31.67 3dya s VAL 292 CO 0.34 0.34 -0.11 -0.63 0.00 0.00 0.00 175.10 175.05 3dya s ILE 293 N -0.08 2.75 0.30 2.22 1.01 0.56 -4.94 121.20 123.03 3dya s ILE 293 Ca 0.44 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3dya s ILE 293 Cb -0.23 -2.26 -0.10 0.00 0.01 0.00 0.00 42.46 39.88 3dya s ILE 293 CO 0.28 0.40 1.44 -2.84 0.00 0.00 0.00 174.94 174.22 3dya s PRO 294 N 1.37 4.24 -0.15 2.79 0.02 -1.26 -4.40 135.00 137.60 3dya s PRO 294 Ca 0.04 2.37 -0.29 0.00 0.02 0.00 0.00 61.00 63.14 3dya s PRO 294 Cb -0.14 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 3dya s PRO 294 CO -0.07 -0.42 1.11 -0.51 -0.33 0.00 0.00 177.00 176.78 3dya s LEU 295 N -1.08 4.19 1.05 -5.54 1.02 -1.26 -5.03 118.68 112.03 3dya s LEU 295 Ca 0.56 1.57 -0.12 0.00 0.02 0.00 0.00 54.13 56.16 3dya s LEU 295 Cb -0.43 -3.55 0.22 0.00 0.02 0.00 0.00 46.19 42.46 3dya s LEU 295 CO 0.50 -0.62 1.08 0.42 0.02 0.00 0.00 176.35 177.76 3dya s THR 296 N 2.78 2.05 0.39 5.49 -4.23 -1.26 -4.80 115.64 116.06 3dya s THR 296 Ca 0.50 0.02 0.09 0.00 -1.18 0.00 0.00 61.69 61.11 3dya s THR 296 Cb -0.19 -2.05 0.17 0.00 1.34 0.00 0.00 72.50 71.76 3dya s THR 296 CO 0.14 -0.02 1.93 -0.08 -0.54 0.00 0.00 174.62 176.05 3dya h GLU 297 N -2.30 0.29 -0.23 3.99 4.57 -1.98 -1.18 114.58 117.74 3dya h GLU 297 Ca -0.53 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 57.52 3dya h GLU 297 Cb 1.30 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 3dya h GLU 297 CO 0.46 0.39 -0.13 0.93 -1.18 0.00 0.00 179.01 179.47 3dya h GLU 298 N 0.28 0.50 -0.47 1.92 3.07 -1.97 0.14 114.58 118.05 3dya h GLU 298 Ca 0.06 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 3dya h GLU 298 Cb 0.32 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 3dya h GLU 298 CO 0.02 0.78 0.27 0.00 -1.40 0.00 0.00 179.01 178.68 3dya h ALA 299 N 0.70 0.60 -0.25 3.43 0.00 -1.79 -0.64 119.26 121.31 3dya h ALA 299 Ca 0.05 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3dya h ALA 299 Cb 0.65 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3dya h ALA 299 CO 0.04 0.10 -0.03 1.49 0.00 0.00 0.00 179.25 180.85 3dya h GLU 300 N 0.62 0.03 -0.35 0.00 4.57 -1.15 0.21 114.58 118.51 3dya h GLU 300 Ca 0.17 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 3dya h GLU 300 Cb 0.02 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 3dya h GLU 300 CO -0.03 0.02 0.11 -0.07 -1.18 0.00 0.00 179.01 177.86 3dya h LEU 301 N 0.03 0.10 -0.32 1.64 4.07 -0.79 -1.78 115.31 118.27 3dya h LEU 301 Ca 0.12 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 3dya h LEU 301 Cb 0.17 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 3dya h LEU 301 CO -0.23 0.09 0.11 -0.08 -1.08 0.00 0.00 178.44 177.25 3dya h GLU 302 N 0.24 0.49 -0.88 1.13 4.81 -0.79 -1.97 114.58 117.61 3dya h GLU 302 Ca 0.16 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3dya h GLU 302 Cb 0.15 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 3dya h GLU 302 CO -0.18 0.51 0.57 1.25 -0.73 0.00 0.00 179.01 180.43 3dya h LEU 303 N 0.36 0.84 -0.36 1.64 5.85 -0.49 -1.92 115.31 121.23 3dya h LEU 303 Ca 0.10 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 3dya h LEU 303 Cb 0.22 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3dya h LEU 303 CO -0.01 0.53 -0.76 0.00 -0.34 0.00 0.00 178.44 177.87 3dya h ALA 304 N 1.54 0.54 -0.35 1.25 0.00 -1.07 -1.90 119.26 119.27 3dya h ALA 304 Ca 0.39 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3dya h ALA 304 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3dya h ALA 304 CO -0.15 0.76 -0.00 1.49 0.00 0.00 0.00 179.25 181.35 3dya h GLU 305 N 0.30 0.62 -0.63 0.00 4.81 -1.03 -2.52 114.58 116.12 3dya h GLU 305 Ca -0.04 -0.20 0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3dya h GLU 305 Cb 1.34 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.59 3dya h GLU 305 CO 0.13 0.74 0.19 -0.91 -0.73 0.00 0.00 179.01 178.43 3dya h ASN 306 N 0.43 0.13 -0.75 1.04 2.35 -1.33 -2.12 115.58 115.33 3dya h ASN 306 Ca 0.10 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3dya h ASN 306 Cb 0.46 0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.89 3dya h ASN 306 CO 0.02 0.07 0.49 0.03 -1.65 0.00 0.00 177.43 176.39 3dya h ARG 307 N 0.35 0.94 -0.98 0.81 3.08 -1.14 -0.20 114.38 117.24 3dya h ARG 307 Ca 0.33 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.33 3dya h ARG 307 Cb 0.46 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 3dya h ARG 307 CO -0.36 0.62 0.65 0.93 -1.07 0.00 0.00 179.97 180.74 3dya h GLU 308 N 0.97 1.28 -0.56 0.04 4.39 -1.16 -0.93 114.58 118.60 3dya h GLU 308 Ca 0.29 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.80 3dya h GLU 308 Cb -0.05 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.30 3dya h GLU 308 CO -0.09 0.85 -0.09 0.82 -1.16 0.00 0.00 179.01 179.34 3dya h ILE 309 N 1.32 1.27 -0.01 3.13 2.04 -0.77 -3.10 117.51 121.39 3dya h ILE 309 Ca 0.36 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3dya h ILE 309 Cb -0.14 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3dya h ILE 309 CO -0.08 0.45 -0.10 0.18 0.00 0.00 0.00 178.15 178.59 3dya n LEU 310 N -4.15 0.73 -0.19 1.44 4.77 -0.14 -4.27 117.00 115.19 3dya n LEU 310 Ca 0.02 -0.15 -0.06 0.00 -0.03 0.00 0.00 56.01 55.79 3dya n LEU 310 Cb 0.40 -0.11 0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3dya n LEU 310 CO 0.45 0.13 0.91 0.07 -1.33 0.00 0.00 177.39 177.63 3dya h LYS 311 N 0.99 0.99 -5.84 3.23 2.10 -1.09 -3.42 116.57 113.53 3dya h LYS 311 Ca 0.00 -0.25 -0.67 0.00 -2.00 0.00 0.00 60.65 57.73 3dya h LYS 311 Cb 0.37 -0.12 -0.20 0.00 -0.90 0.00 0.00 32.23 31.38 3dya h LYS 311 CO 0.00 0.92 -0.69 -1.21 -2.00 0.00 0.00 179.45 176.47 3dya s GLU 312 N -5.16 3.06 0.37 0.07 0.41 -1.26 -5.11 118.70 111.08 3dya s GLU 312 Ca -0.11 -0.55 -0.28 0.00 -0.41 0.00 0.00 54.97 53.62 3dya s GLU 312 Cb 0.15 -2.68 -0.11 0.00 -1.78 0.00 0.00 34.13 29.70 3dya s GLU 312 CO 0.83 0.51 1.47 -2.14 -0.49 0.00 0.00 175.26 175.44 3dya s PRO 313 N -0.40 4.13 0.01 0.39 0.02 -1.26 -5.03 135.00 132.87 3dya s PRO 313 Ca 0.06 2.54 0.07 0.00 0.02 0.00 0.00 61.00 63.68 3dya s PRO 313 Cb -0.12 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 3dya s PRO 313 CO 0.02 -0.50 -0.21 0.08 -0.33 0.00 0.00 177.00 176.07 3dya s VAL 314 N -1.12 1.64 0.09 3.83 1.01 -1.26 -5.15 120.40 119.43 3dya s VAL 314 Ca 0.52 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3dya s VAL 314 Cb -0.46 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3dya s VAL 314 CO 0.62 0.35 -0.17 -1.00 0.00 0.00 0.00 175.10 174.91 3dya s HIS 315 N -0.61 1.45 0.29 5.22 3.76 -1.26 -4.75 115.29 119.38 3dya s HIS 315 Ca 0.08 -0.46 0.06 0.00 -0.15 0.00 0.00 55.06 54.59 3dya s HIS 315 Cb -0.08 -0.80 -0.02 0.00 1.11 0.00 0.00 32.58 32.79 3dya s HIS 315 CO 0.00 0.12 0.41 0.20 -0.85 0.00 0.00 174.74 174.63 3dya s GLY 316 N -1.89 1.44 0.36 -2.22 0.00 0.25 -4.80 107.32 100.46 3dya s GLY 316 Ca 0.02 -1.37 0.07 0.00 0.00 0.00 0.00 44.72 43.45 3dya s GLY 316 CO 0.03 -1.33 0.36 0.54 0.00 0.00 0.00 173.10 172.70 3dya s VAL 317 N -2.10 3.41 0.68 1.40 0.11 -0.14 -1.09 120.40 122.67 3dya s VAL 317 Ca 0.40 -1.27 -0.03 0.00 -2.93 0.00 0.00 61.98 58.15 3dya s VAL 317 Cb -0.09 -3.17 0.09 0.00 -1.53 0.00 0.00 36.38 31.67 3dya s VAL 317 CO 0.30 -0.12 0.96 -0.31 -3.33 0.00 0.00 175.10 172.59 3dya s TYR 318 N -2.32 2.29 -0.01 1.54 1.51 -1.26 -4.45 117.35 114.65 3dya s TYR 318 Ca 0.44 0.02 -0.19 0.00 -1.01 0.00 0.00 57.07 56.33 3dya s TYR 318 Cb -0.06 -3.05 -0.05 0.00 -0.11 0.00 0.00 41.96 38.68 3dya s TYR 318 CO 0.28 -1.45 0.54 -0.47 -1.11 0.00 0.00 175.55 173.34 3dya s TYR 319 N -3.11 3.69 -0.35 2.71 5.04 0.26 -4.90 117.35 120.70 3dya s TYR 319 Ca 0.63 1.13 0.01 0.00 -2.44 0.00 0.00 57.07 56.39 3dya s TYR 319 Cb -0.08 -2.52 0.09 0.00 0.35 0.00 0.00 41.96 39.80 3dya s TYR 319 CO 0.43 0.42 0.08 0.34 -1.34 0.00 0.00 175.55 175.48 3dya s ASP 320 N -0.40 4.92 0.00 4.32 3.68 -1.26 -4.07 116.67 123.87 3dya s ASP 320 Ca 0.28 -1.91 0.07 0.00 2.13 0.00 0.00 52.55 53.12 3dya s ASP 320 Cb -0.18 -1.70 0.33 0.00 -1.45 0.00 0.00 42.92 39.92 3dya s ASP 320 CO 0.16 -0.40 1.06 -0.81 0.13 0.00 0.00 175.17 175.31 3dya n PRO 321 N 4.44 0.09 -1.13 4.34 -0.04 -1.26 -2.35 135.00 139.09 3dya n PRO 321 Ca -0.02 0.22 -0.19 0.00 -0.04 0.00 0.00 63.50 63.47 3dya n PRO 321 Cb 0.42 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.56 3dya n PRO 321 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3dya n SER 322 N -1.29 3.44 -3.83 3.54 3.41 -1.26 -4.90 113.62 112.73 3dya n SER 322 Ca 0.03 -3.66 -0.12 0.00 -0.26 0.00 0.00 58.87 54.86 3dya n SER 322 Cb 0.05 -0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 63.12 3dya n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dya s LYS 323 N -3.29 0.59 0.68 4.33 1.02 -0.99 -5.16 119.74 116.91 3dya s LYS 323 Ca 0.54 -0.40 -0.15 0.00 0.02 0.00 0.00 55.97 55.98 3dya s LYS 323 Cb 0.46 0.25 0.01 0.00 -0.52 0.00 0.00 37.83 38.03 3dya s LYS 323 CO 0.08 -0.15 1.15 -0.51 -0.92 0.00 0.00 175.35 175.00 3dya s ASP 324 N -1.54 4.79 0.04 2.83 -0.00 -1.26 -4.93 116.67 116.60 3dya s ASP 324 Ca -0.12 2.17 -0.20 0.00 -0.00 0.00 0.00 52.55 54.40 3dya s ASP 324 Cb -0.05 -2.57 -0.06 0.00 -0.00 0.00 0.00 42.92 40.23 3dya s ASP 324 CO 0.01 -1.85 0.58 -0.76 -0.00 0.00 0.00 175.17 173.15 3dya s LEU 325 N -4.87 4.48 -0.07 1.23 2.01 -1.26 -4.45 118.68 115.75 3dya s LEU 325 Ca 0.71 1.21 0.05 0.00 0.01 0.00 0.00 54.13 56.11 3dya s LEU 325 Cb -0.25 -2.90 -0.01 0.00 0.01 0.00 0.00 46.19 43.04 3dya s LEU 325 CO 0.41 0.20 -0.23 -0.63 1.01 0.00 0.00 176.35 177.12 3dya s ILE 326 N -0.70 2.26 -0.09 -0.59 1.01 0.48 -0.80 121.20 122.77 3dya s ILE 326 Ca 0.30 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 60.00 3dya s ILE 326 Cb -0.19 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.44 3dya s ILE 326 CO 0.18 0.57 -0.21 0.00 0.00 0.00 0.00 174.94 175.47 3dya s ALA 327 N -0.11 1.96 -0.01 9.38 0.00 0.34 -1.54 121.76 131.79 3dya s ALA 327 Ca -0.05 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.14 3dya s ALA 327 Cb -0.14 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 3dya s ALA 327 CO 0.04 0.27 -0.25 -1.21 0.00 0.00 0.00 175.76 174.61 3dya s GLU 328 N 0.34 2.08 0.01 0.00 2.02 -0.59 -0.15 118.70 122.42 3dya s GLU 328 Ca -0.16 -0.95 0.06 0.00 0.02 0.00 0.00 54.97 53.94 3dya s GLU 328 Cb -0.17 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 3dya s GLU 328 CO 0.07 0.56 -0.19 0.42 0.02 0.00 0.00 175.26 176.14 3dya s ILE 329 N -0.68 1.50 0.06 -1.63 1.01 -1.16 -1.67 121.20 118.63 3dya s ILE 329 Ca 0.11 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.86 3dya s ILE 329 Cb -0.10 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 3dya s ILE 329 CO 0.00 0.30 -0.16 -1.10 0.00 0.00 0.00 174.94 173.98 3dya s GLN 330 N -0.76 1.02 -0.08 2.79 1.11 0.19 -4.34 119.66 119.59 3dya s GLN 330 Ca 0.07 -0.89 -0.28 0.00 0.01 0.00 0.00 55.36 54.26 3dya s GLN 330 Cb -0.08 -1.08 -0.02 0.00 -1.01 0.00 0.00 33.01 30.82 3dya s GLN 330 CO 0.00 0.26 0.93 0.21 0.01 0.00 0.00 175.29 176.71 3dya s LYS 331 N -1.39 4.44 -0.68 2.91 2.20 -1.26 -1.24 119.74 124.72 3dya s LYS 331 Ca 0.03 1.27 0.05 0.00 -0.36 0.00 0.00 55.97 56.96 3dya s LYS 331 Cb -0.09 -3.51 0.22 0.00 -1.51 0.00 0.00 37.83 32.94 3dya s LYS 331 CO 0.02 -0.20 0.69 0.00 -0.36 0.00 0.00 175.35 175.50 3dya n GLN 332 N 4.60 2.37 0.00 4.03 10.64 -0.22 -4.60 117.38 134.20 3dya n GLN 332 Ca 0.06 -4.61 0.00 0.00 -1.83 0.00 0.00 57.00 50.62 3dya n GLN 332 Cb 0.50 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.60 3dya n GLN 332 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dya n GLY 333 N 1.25 -1.75 3.64 2.61 0.00 -1.26 -4.40 105.19 105.29 3dya n GLY 333 Ca 0.26 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 3dya n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dya s GLN 334 N 0.00 4.18 0.00 1.61 -1.52 -1.26 -2.87 119.66 119.80 3dya s GLN 334 Ca 0.00 0.78 0.00 0.00 -1.95 0.00 0.00 55.36 54.19 3dya s GLN 334 Cb 0.00 -3.62 0.00 0.00 -0.22 0.00 0.00 33.01 29.17 3dya s GLN 334 CO 0.00 -0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.04 3dya n GLY 335 N 3.84 2.76 3.69 3.09 0.00 -1.26 -5.02 105.19 112.28 3dya n GLY 335 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3dya n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dya s GLN 336 N -0.20 3.72 0.06 1.61 -0.21 -1.14 -3.90 119.66 119.61 3dya s GLN 336 Ca 0.00 -0.32 0.05 0.00 0.02 0.00 0.00 55.36 55.12 3dya s GLN 336 Cb 0.00 -3.14 -0.03 0.00 1.00 0.00 0.00 33.01 30.84 3dya s GLN 336 CO 0.00 0.44 -0.15 -1.58 -2.12 0.00 0.00 175.29 171.88 3dya s TRP 337 N -0.09 1.28 0.03 0.91 0.52 0.19 -1.05 118.94 120.73 3dya s TRP 337 Ca 0.07 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 55.82 3dya s TRP 337 Cb -0.12 -0.74 -0.02 0.00 -1.15 0.00 0.00 33.47 31.45 3dya s TRP 337 CO 0.01 0.06 -0.12 -0.08 0.02 0.00 0.00 176.95 176.84 3dya s THR 338 N -1.06 0.91 0.06 2.01 -1.32 -0.37 -0.98 115.64 114.89 3dya s THR 338 Ca 0.00 -0.83 -0.01 0.00 -1.21 0.00 0.00 61.69 59.65 3dya s THR 338 Cb -0.09 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 3dya s THR 338 CO 0.02 0.01 -0.04 -0.72 -2.21 0.00 0.00 174.62 171.68 3dya s TYR 339 N -0.74 0.57 -0.00 9.09 1.13 -0.01 -0.63 117.35 126.75 3dya s TYR 339 Ca 0.00 -1.02 0.01 0.00 -1.41 0.00 0.00 57.07 54.65 3dya s TYR 339 Cb -0.07 -0.40 -0.00 0.00 -1.10 0.00 0.00 41.96 40.39 3dya s TYR 339 CO 0.01 -0.34 -0.04 -0.65 -2.51 0.00 0.00 175.55 172.02 3dya s GLN 340 N -3.81 0.30 -0.09 -3.49 1.11 -0.67 -1.35 119.66 111.66 3dya s GLN 340 Ca 0.07 -0.13 0.04 0.00 0.01 0.00 0.00 55.36 55.35 3dya s GLN 340 Cb 0.07 -0.30 -0.00 0.00 -1.01 0.00 0.00 33.01 31.77 3dya s GLN 340 CO -0.09 0.08 -0.23 0.42 0.01 0.00 0.00 175.29 175.47 3dya s ILE 341 N -0.06 2.00 0.16 1.08 1.01 0.62 -1.54 121.20 124.46 3dya s ILE 341 Ca 0.01 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 3dya s ILE 341 Cb -0.02 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3dya s ILE 341 CO -0.00 0.55 0.35 -0.72 0.00 0.00 0.00 174.94 175.12 3dya s TYR 342 N 0.25 0.19 -0.08 3.97 -0.85 -0.59 -0.25 117.35 119.99 3dya s TYR 342 Ca -0.16 -0.55 0.04 0.00 -0.52 0.00 0.00 57.07 55.88 3dya s TYR 342 Cb -0.17 0.09 -0.08 0.00 0.38 0.00 0.00 41.96 42.18 3dya s TYR 342 CO 0.08 -0.75 -0.02 1.04 -1.52 0.00 0.00 175.55 174.37 3dya n GLN 343 N -0.23 1.65 -4.96 -3.49 6.02 -1.26 -0.39 117.38 114.73 3dya n GLN 343 Ca -0.09 0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.59 3dya n GLN 343 Cb 0.63 -1.19 -0.15 0.00 1.02 0.00 0.00 30.24 30.54 3dya n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dya s GLU 344 N -2.19 3.25 -0.40 -1.09 0.41 -1.26 -4.86 118.70 112.55 3dya s GLU 344 Ca -0.08 -0.76 -0.37 0.00 -0.41 0.00 0.00 54.97 53.35 3dya s GLU 344 Cb 0.03 -2.50 -0.13 0.00 -1.78 0.00 0.00 34.13 29.75 3dya s GLU 344 CO 0.27 0.20 2.20 -2.30 -0.49 0.00 0.00 175.26 175.14 3dya n PRO 345 N 3.52 0.80 -0.56 0.39 -0.02 -1.26 -1.73 135.00 136.13 3dya n PRO 345 Ca -0.18 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3dya n PRO 345 Cb 0.53 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3dya n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dya n PHE 346 N 9.47 0.00 -3.05 6.00 0.99 -1.26 -5.00 117.46 124.61 3dya n PHE 346 Ca 0.45 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.45 3dya n PHE 346 Cb 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.63 3dya n PHE 346 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3dya s LYS 347 N -0.44 3.64 0.14 -1.08 1.02 -0.71 -5.04 119.74 117.27 3dya s LYS 347 Ca 0.00 -2.04 -0.31 0.00 0.02 0.00 0.00 55.97 53.64 3dya s LYS 347 Cb 0.00 -4.78 -0.08 0.00 -0.52 0.00 0.00 37.83 32.45 3dya s LYS 347 CO 0.00 -1.63 1.35 -0.80 -0.92 0.00 0.00 175.35 173.36 3dya s ASN 348 N 3.12 6.86 -0.03 2.83 0.01 -1.26 -4.20 114.94 122.28 3dya s ASN 348 Ca 0.29 2.33 -0.24 0.00 -0.71 0.00 0.00 52.86 54.53 3dya s ASN 348 Cb -0.06 -2.59 -0.21 0.00 0.41 0.00 0.00 41.25 38.80 3dya s ASN 348 CO -0.09 -0.60 1.14 -0.07 -1.51 0.00 0.00 177.10 175.97 3dya h LEU 349 N 6.36 0.20 -8.08 0.60 4.07 -0.84 -0.36 115.31 117.26 3dya h LEU 349 Ca -0.43 -0.65 0.00 0.00 0.08 0.00 0.00 57.88 56.88 3dya h LEU 349 Cb 1.21 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.85 3dya h LEU 349 CO 0.83 0.82 0.15 -1.59 -1.08 0.00 0.00 178.44 177.57 3dya s LYS 350 N -3.61 1.87 0.21 1.13 -2.85 -1.11 -4.21 119.74 111.16 3dya s LYS 350 Ca -0.16 -1.20 0.04 0.00 -1.00 0.00 0.00 55.97 53.66 3dya s LYS 350 Cb 0.02 0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 36.32 3dya s LYS 350 CO 0.73 -0.84 -0.03 0.99 0.10 0.00 0.00 175.35 176.29 3dya s THR 351 N -3.48 1.09 0.07 3.79 2.01 -0.03 -0.28 115.64 118.81 3dya s THR 351 Ca 0.15 -2.05 -0.15 0.00 0.31 0.00 0.00 61.69 59.95 3dya s THR 351 Cb -0.04 -2.22 0.05 0.00 0.01 0.00 0.00 72.50 70.30 3dya s THR 351 CO 0.09 -0.43 0.72 0.61 -0.69 0.00 0.00 174.62 174.92 3dya n GLY 352 N -0.37 0.69 3.20 4.40 0.00 -0.46 -4.27 105.19 108.38 3dya n GLY 352 Ca -0.06 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 3dya n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dya s LYS 353 N -2.03 0.91 -0.01 1.61 -2.85 -1.26 -0.83 119.74 115.28 3dya s LYS 353 Ca 0.16 -1.37 -0.00 0.00 -1.00 0.00 0.00 55.97 53.77 3dya s LYS 353 Cb -0.01 -0.36 0.02 0.00 -2.06 0.00 0.00 37.83 35.41 3dya s LYS 353 CO 0.02 0.02 0.02 -0.47 0.10 0.00 0.00 175.35 175.04 3dya s TYR 354 N -3.47 0.02 -0.43 1.78 5.04 -0.15 -4.97 117.35 115.17 3dya s TYR 354 Ca 0.13 0.08 0.03 0.00 -2.44 0.00 0.00 57.07 54.87 3dya s TYR 354 Cb 0.04 -0.15 0.25 0.00 0.35 0.00 0.00 41.96 42.45 3dya s TYR 354 CO -0.03 -0.06 1.02 0.00 -1.34 0.00 0.00 175.55 175.15 3dya n ALA 355 N 3.80 -2.27 -2.59 3.97 0.00 -1.26 0.57 120.51 122.73 3dya n ALA 355 Ca -0.22 -0.96 -0.27 0.00 0.00 0.00 0.00 53.44 51.98 3dya n ALA 355 Cb 0.54 -2.08 -0.10 0.00 0.00 0.00 0.00 19.45 17.80 3dya n ALA 355 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dya s ARG 356 N 0.48 1.91 -0.28 0.00 3.52 -1.25 -4.93 118.95 118.40 3dya s ARG 356 Ca 0.30 -2.10 -0.02 0.00 -0.13 0.00 0.00 55.73 53.78 3dya s ARG 356 Cb 0.22 -1.39 0.09 0.00 -1.56 0.00 0.00 34.95 32.30 3dya s ARG 356 CO -0.18 -0.14 0.08 -1.64 -0.81 0.00 0.00 175.30 172.61 3dya s MET 357 N -3.78 0.63 -0.62 5.12 -1.94 -1.26 -4.97 119.30 112.48 3dya s MET 357 Ca 0.31 -0.83 -0.27 0.00 -1.71 0.00 0.00 55.69 53.19 3dya s MET 357 Cb 0.08 -1.90 0.01 0.00 2.01 0.00 0.00 34.83 35.04 3dya s MET 357 CO 0.15 -0.90 1.45 1.03 -0.01 0.00 0.00 175.02 176.74 3dya s ARG 358 N 1.75 3.16 0.00 2.03 0.52 -1.26 -4.89 118.95 120.26 3dya s ARG 358 Ca 0.07 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 3dya s ARG 358 Cb -0.17 -4.18 0.00 0.00 0.52 0.00 0.00 34.95 31.12 3dya s ARG 358 CO -0.23 -2.13 0.00 0.41 0.02 0.00 0.00 175.30 173.37 3dya n GLY 359 N 5.37 1.25 0.18 -3.53 0.00 -1.26 -4.75 105.19 102.45 3dya n GLY 359 Ca 0.11 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.19 3dya n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dya h ALA 360 N 0.00 0.90 -3.88 4.61 0.00 -1.97 -3.45 119.26 115.47 3dya h ALA 360 Ca 0.00 -0.51 -0.45 0.00 0.00 0.00 0.00 54.91 53.95 3dya h ALA 360 Cb 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 17.40 3dya h ALA 360 CO 0.00 0.69 -0.80 -1.01 0.00 0.00 0.00 179.25 178.14 3dya s HIS 361 N -3.87 1.10 0.26 0.00 3.76 -1.26 -1.41 115.29 113.88 3dya s HIS 361 Ca -0.04 -0.28 -0.18 0.00 -0.15 0.00 0.00 55.06 54.41 3dya s HIS 361 Cb 0.12 -0.77 0.01 0.00 1.11 0.00 0.00 32.58 33.06 3dya s HIS 361 CO 0.79 -0.10 0.62 -0.08 -0.85 0.00 0.00 174.74 175.13 3dya s THR 362 N 0.10 0.00 0.34 1.30 -1.32 -0.91 -4.98 115.64 110.17 3dya s THR 362 Ca -0.02 -1.14 0.03 0.00 -1.21 0.00 0.00 61.69 59.36 3dya s THR 362 Cb -0.08 -2.05 -0.05 0.00 -1.51 0.00 0.00 72.50 68.80 3dya s THR 362 CO 0.01 -0.00 0.07 0.54 -2.21 0.00 0.00 174.62 173.03 3dya s ASN 363 N -2.95 2.39 0.39 8.08 2.20 -1.26 -1.16 114.94 122.63 3dya s ASN 363 Ca 0.15 -1.44 0.12 0.00 -0.94 0.00 0.00 52.86 50.75 3dya s ASN 363 Cb -0.04 0.07 0.80 0.00 -2.00 0.00 0.00 41.25 40.08 3dya s ASN 363 CO 0.07 -0.69 1.89 0.44 -2.94 0.00 0.00 177.10 175.87 3dya h ASP 364 N 2.05 0.07 -0.40 3.54 3.32 -1.92 -1.72 116.42 121.37 3dya h ASP 364 Ca -0.39 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 3dya h ASP 364 Cb 1.25 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3dya h ASP 364 CO 0.66 0.34 -0.14 0.58 -1.72 0.00 0.00 179.24 178.96 3dya h VAL 365 N 0.06 1.28 -0.56 -1.35 2.07 -1.96 -0.81 116.25 114.99 3dya h VAL 365 Ca 0.01 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 3dya h VAL 365 Cb 0.50 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3dya h VAL 365 CO 0.04 0.42 0.10 0.11 0.02 0.00 0.00 177.57 178.26 3dya h LYS 366 N 0.61 0.91 -0.47 1.57 1.57 -1.92 -2.27 116.57 116.57 3dya h LYS 366 Ca 0.10 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 3dya h LYS 366 Cb 0.68 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3dya h LYS 366 CO 0.05 0.87 0.01 1.96 -0.57 0.00 0.00 179.45 181.77 3dya h GLN 367 N 0.81 0.83 -0.37 3.15 4.20 -1.24 -2.04 115.11 120.45 3dya h GLN 367 Ca 0.17 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.65 3dya h GLN 367 Cb 0.39 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 3dya h GLN 367 CO 0.01 0.88 0.18 1.25 -0.67 0.00 0.00 178.83 180.48 3dya h LEU 368 N 0.69 0.26 -0.57 1.46 5.85 -1.14 -0.57 115.31 121.30 3dya h LEU 368 Ca 0.14 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.93 3dya h LEU 368 Cb 0.50 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3dya h LEU 368 CO 0.02 0.19 0.28 0.74 -0.34 0.00 0.00 178.44 179.34 3dya h THR 369 N 0.37 0.92 -0.86 1.05 2.02 -1.30 0.47 112.91 115.58 3dya h THR 369 Ca 0.16 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3dya h THR 369 Cb 0.07 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 3dya h THR 369 CO -0.11 0.10 0.48 -0.33 0.37 0.00 0.00 175.52 176.03 3dya h GLU 370 N 0.53 1.19 -0.52 6.66 5.08 -1.13 -1.39 114.58 125.00 3dya h GLU 370 Ca 0.26 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3dya h GLU 370 Cb 0.20 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3dya h GLU 370 CO -0.20 0.87 0.13 0.00 -1.00 0.00 0.00 179.01 178.81 3dya h ALA 371 N 1.26 0.69 -0.91 3.43 0.00 -0.49 -1.44 119.26 121.79 3dya h ALA 371 Ca 0.30 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3dya h ALA 371 Cb 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3dya h ALA 371 CO -0.05 0.38 0.60 0.28 0.00 0.00 0.00 179.25 180.46 3dya h VAL 372 N 0.73 1.15 -0.15 0.00 2.07 -0.66 -1.67 116.25 117.73 3dya h VAL 372 Ca 0.16 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3dya h VAL 372 Cb 0.33 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3dya h VAL 372 CO 0.00 0.21 -0.05 -0.61 0.02 0.00 0.00 177.57 177.14 3dya h GLN 373 N 1.14 0.29 -0.51 1.57 5.75 -0.92 -0.59 115.11 121.84 3dya h GLN 373 Ca 0.36 -0.12 0.06 0.00 -0.15 0.00 0.00 58.65 58.81 3dya h GLN 373 Cb 0.03 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.51 3dya h GLN 373 CO -0.11 0.59 0.21 -0.22 -2.65 0.00 0.00 178.83 176.65 3dya h LYS 374 N -0.02 0.39 -0.62 1.69 3.64 -1.19 -2.32 116.57 118.14 3dya h LYS 374 Ca 0.04 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 3dya h LYS 374 Cb 0.50 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3dya h LYS 374 CO 0.02 0.26 0.01 0.82 -2.27 0.00 0.00 179.45 178.29 3dya h ILE 375 N 0.40 1.27 -0.61 2.00 2.04 -1.18 -2.12 117.51 119.32 3dya h ILE 375 Ca 0.24 -1.15 0.03 0.00 1.00 0.00 0.00 64.86 64.99 3dya h ILE 375 Cb 0.23 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3dya h ILE 375 CO -0.22 0.42 0.36 0.74 0.00 0.00 0.00 178.15 179.45 3dya h THR 376 N 0.99 1.04 0.33 -0.27 2.02 -0.95 -0.78 112.91 115.30 3dya h THR 376 Ca 0.18 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3dya h THR 376 Cb 0.55 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3dya h THR 376 CO 0.03 0.13 -0.16 0.74 0.37 0.00 0.00 175.52 176.63 3dya h THR 377 N 0.70 0.67 -0.92 3.16 2.02 -1.26 -2.26 112.91 115.02 3dya h THR 377 Ca 0.25 -0.50 0.26 0.00 0.77 0.00 0.00 66.41 67.19 3dya h THR 377 Cb 0.06 0.93 -0.15 0.00 -1.74 0.00 0.00 68.15 67.25 3dya h THR 377 CO -0.12 0.10 0.27 -0.08 0.37 0.00 0.00 175.52 176.05 3dya h GLU 378 N -0.73 0.17 -0.51 6.66 4.81 -1.33 -0.88 114.58 122.77 3dya h GLU 378 Ca -0.04 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 3dya h GLU 378 Cb 0.50 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3dya h GLU 378 CO 0.07 0.11 -0.14 0.77 -0.73 0.00 0.00 179.01 179.10 3dya h SER 379 N 0.18 0.99 -0.52 1.04 0.02 -0.98 -0.97 113.55 113.30 3dya h SER 379 Ca 0.60 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 3dya h SER 379 Cb 1.28 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 3dya h SER 379 CO -0.70 1.12 0.22 0.40 -1.14 0.00 0.00 176.83 176.73 3dya h ILE 380 N 0.87 1.21 0.00 3.27 2.04 -0.70 0.10 117.51 124.30 3dya h ILE 380 Ca 0.13 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3dya h ILE 380 Cb 0.70 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3dya h ILE 380 CO 0.05 0.24 -0.00 0.58 0.00 0.00 0.00 178.15 179.02 3dya h VAL 381 N 0.70 1.00 0.11 1.67 2.07 -1.06 -0.31 116.25 120.44 3dya h VAL 381 Ca 0.18 -0.01 -0.28 0.00 0.82 0.00 0.00 66.70 67.40 3dya h VAL 381 Cb 0.17 1.01 0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3dya h VAL 381 CO -0.02 0.00 -1.16 0.40 0.02 0.00 0.00 177.57 176.82 3dya h ILE 382 N -0.01 1.31 0.00 4.57 2.04 -1.04 -3.39 117.51 120.99 3dya h ILE 382 Ca -0.00 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.43 3dya h ILE 382 Cb 0.01 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3dya h ILE 382 CO 0.00 0.73 0.00 0.79 0.00 0.00 0.00 178.15 179.67 3dya n TRP 383 N -3.86 0.00 -1.12 1.37 8.01 0.32 -4.63 117.44 117.53 3dya n TRP 383 Ca -0.14 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.01 3dya n TRP 383 Cb 0.95 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 30.23 3dya n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dya n GLY 384 N 0.52 0.68 3.35 6.99 0.00 -0.13 -4.98 105.19 111.63 3dya n GLY 384 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 3dya n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dya s LYS 385 N -1.80 1.13 0.18 1.61 -2.85 -1.23 -4.91 119.74 111.87 3dya s LYS 385 Ca 0.00 -0.64 -0.20 0.00 -1.00 0.00 0.00 55.97 54.13 3dya s LYS 385 Cb 0.00 0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 36.20 3dya s LYS 385 CO 0.00 -0.46 0.69 0.95 0.10 0.00 0.00 175.35 176.63 3dya s THR 386 N -3.79 4.61 0.65 3.79 -4.23 -1.26 -3.70 115.64 111.71 3dya s THR 386 Ca 0.02 1.26 -0.09 0.00 -1.18 0.00 0.00 61.69 61.71 3dya s THR 386 Cb 0.01 -3.88 0.01 0.00 1.34 0.00 0.00 72.50 69.98 3dya s THR 386 CO -0.12 0.30 1.00 -2.16 -0.54 0.00 0.00 174.62 173.10 3dya s PRO 387 N -1.76 2.85 -0.08 3.99 0.04 -1.26 -4.75 135.00 134.03 3dya s PRO 387 Ca 0.39 0.20 -0.18 0.00 0.04 0.00 0.00 61.00 61.46 3dya s PRO 387 Cb -0.18 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3dya s PRO 387 CO 0.21 -0.89 0.47 0.15 0.04 0.00 0.00 177.00 176.98 3dya s LYS 388 N -5.18 4.24 0.02 4.56 1.02 0.02 -4.85 119.74 119.57 3dya s LYS 388 Ca 0.56 0.47 -0.05 0.00 0.02 0.00 0.00 55.97 56.97 3dya s LYS 388 Cb -0.11 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.78 3dya s LYS 388 CO 0.48 0.31 0.26 -0.06 -0.92 0.00 0.00 175.35 175.42 3dya s PHE 389 N 0.13 3.56 -0.21 3.18 0.08 -0.91 -0.50 117.98 123.30 3dya s PHE 389 Ca 0.26 0.50 0.01 0.00 0.12 0.00 0.00 56.93 57.83 3dya s PHE 389 Cb -0.16 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3dya s PHE 389 CO 0.12 0.60 -0.13 0.15 -0.10 0.00 0.00 175.22 175.86 3dya s LYS 390 N -1.94 2.32 0.01 0.44 1.02 0.79 -1.41 119.74 120.97 3dya s LYS 390 Ca 0.29 -0.98 0.07 0.00 0.02 0.00 0.00 55.97 55.37 3dya s LYS 390 Cb -0.13 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 3dya s LYS 390 CO 0.18 -0.42 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.46 3dya s LEU 391 N 1.29 2.10 -0.64 3.17 1.43 0.17 -2.99 118.68 123.21 3dya s LEU 391 Ca -0.02 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3dya s LEU 391 Cb -0.17 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 3dya s LEU 391 CO -0.08 0.24 2.97 -0.81 0.23 0.00 0.00 176.35 178.90 3dya n PRO 392 N 2.21 2.88 -3.75 1.29 -0.04 -1.26 -1.01 135.00 135.32 3dya n PRO 392 Ca -0.16 -2.15 -0.13 0.00 -0.04 0.00 0.00 63.50 61.02 3dya n PRO 392 Cb 0.52 -2.28 -0.13 0.00 -0.04 0.00 0.00 33.50 31.58 3dya n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3dya s ILE 393 N -0.52 -0.03 0.44 0.52 2.07 -1.26 0.26 121.20 122.68 3dya s ILE 393 Ca 0.62 0.10 -0.24 0.00 -1.41 0.00 0.00 60.65 59.72 3dya s ILE 393 Cb 0.30 -0.34 -0.08 0.00 0.13 0.00 0.00 42.46 42.47 3dya s ILE 393 CO -0.11 0.04 1.18 -1.10 -1.91 0.00 0.00 174.94 173.04 3dya s GLN 394 N 0.84 3.85 0.30 3.50 -1.52 -1.26 -4.54 119.66 120.84 3dya s GLN 394 Ca -0.06 1.83 0.03 0.00 -1.95 0.00 0.00 55.36 55.21 3dya s GLN 394 Cb -0.07 -2.51 0.63 0.00 -0.22 0.00 0.00 33.01 30.83 3dya s GLN 394 CO -0.05 -0.49 1.84 0.87 -0.25 0.00 0.00 175.29 177.21 3dya h LYS 395 N 2.27 0.89 -0.34 2.91 1.79 -1.98 -2.35 116.57 119.75 3dya h LYS 395 Ca -0.49 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 57.92 3dya h LYS 395 Cb 1.24 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 3dya h LYS 395 CO 0.61 0.59 0.18 1.49 -1.08 0.00 0.00 179.45 181.24 3dya h GLU 396 N 0.92 0.48 -0.86 3.15 4.81 -1.99 0.23 114.58 121.32 3dya h GLU 396 Ca 0.49 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.74 3dya h GLU 396 Cb 0.57 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 3dya h GLU 396 CO -0.26 0.41 0.52 1.15 -0.73 0.00 0.00 179.01 180.10 3dya h THR 397 N 0.42 0.98 -0.11 0.32 2.02 -1.82 -0.54 112.91 114.18 3dya h THR 397 Ca 0.12 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3dya h THR 397 Cb 0.08 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 3dya h THR 397 CO -0.02 0.17 -0.15 -0.25 0.37 0.00 0.00 175.52 175.64 3dya h TRP 398 N 0.91 0.36 -0.77 3.16 2.91 -1.14 -1.75 115.95 119.63 3dya h TRP 398 Ca 0.40 -0.12 0.07 0.00 1.13 0.00 0.00 58.89 60.37 3dya h TRP 398 Cb 0.27 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 28.79 3dya h TRP 398 CO -0.04 0.74 0.44 0.93 -1.03 0.00 0.00 178.44 179.48 3dya h GLU 399 N -0.12 0.76 -0.63 2.65 3.07 -0.80 -0.41 114.58 119.10 3dya h GLU 399 Ca 0.01 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.77 3dya h GLU 399 Cb 0.70 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 3dya h GLU 399 CO 0.03 0.50 0.17 1.15 -1.40 0.00 0.00 179.01 179.47 3dya h THR 400 N 0.78 1.25 0.16 1.13 2.02 -1.05 -2.57 112.91 114.63 3dya h THR 400 Ca 0.36 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 3dya h THR 400 Cb 0.26 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3dya h THR 400 CO -0.21 0.34 -0.08 -0.25 0.37 0.00 0.00 175.52 175.69 3dya h TRP 401 N 0.92 -0.20 -0.06 3.16 2.91 -0.84 -3.18 115.95 118.67 3dya h TRP 401 Ca 0.20 -0.00 -0.15 0.00 1.13 0.00 0.00 58.89 60.07 3dya h TRP 401 Cb 0.33 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.04 3dya h TRP 401 CO 0.02 0.18 -0.63 0.11 -1.03 0.00 0.00 178.44 177.10 3dya h TRP 402 N -0.63 0.27 -0.21 2.65 5.08 -1.14 -1.09 115.95 120.89 3dya h TRP 402 Ca -0.02 -0.11 -0.09 0.00 1.08 0.00 0.00 58.89 59.75 3dya h TRP 402 Cb 0.47 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.57 3dya h TRP 402 CO 0.05 0.78 -0.28 1.79 -1.28 0.00 0.00 178.44 179.50 3dya h THR 403 N 0.15 1.27 0.00 0.12 1.35 -1.59 -3.28 112.91 110.93 3dya h THR 403 Ca -0.01 -1.29 -0.03 0.00 -0.55 0.00 0.00 66.41 64.54 3dya h THR 403 Cb 1.14 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3dya h THR 403 CO 0.10 0.40 -1.58 -0.62 -0.25 0.00 0.00 175.52 173.56 3dya n GLU 404 N -4.11 0.64 -2.58 4.72 1.02 -1.08 -4.97 120.64 114.27 3dya n GLU 404 Ca -0.01 -0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.75 3dya n GLU 404 Cb 0.41 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 3dya n GLU 404 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3dya s TYR 405 N -3.38 3.14 -0.19 -0.32 5.04 -0.43 -4.99 117.35 116.22 3dya s TYR 405 Ca -0.05 1.61 0.23 0.00 -2.44 0.00 0.00 57.07 56.42 3dya s TYR 405 Cb 0.12 -3.06 0.53 0.00 0.35 0.00 0.00 41.96 39.90 3dya s TYR 405 CO 0.85 -0.66 1.66 0.11 -1.34 0.00 0.00 175.55 176.18 3dya h TRP 406 N 1.95 0.00 -3.81 4.97 5.08 -1.91 -3.45 115.95 118.79 3dya h TRP 406 Ca -0.49 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.00 3dya h TRP 406 Cb 1.21 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.35 3dya h TRP 406 CO 0.58 0.17 0.22 -0.65 -1.28 0.00 0.00 178.44 177.48 3dya s GLN 407 N -3.29 4.28 0.05 0.12 -0.21 -1.26 -5.03 119.66 114.31 3dya s GLN 407 Ca 0.04 1.00 -0.31 0.00 0.02 0.00 0.00 55.36 56.12 3dya s GLN 407 Cb 0.07 -2.59 -0.07 0.00 1.00 0.00 0.00 33.01 31.42 3dya s GLN 407 CO 0.66 0.21 1.60 0.00 -2.12 0.00 0.00 175.29 175.64 3dya s ALA 408 N -1.81 3.66 -0.01 6.09 0.00 -1.26 -5.00 121.76 123.42 3dya s ALA 408 Ca 0.52 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.60 3dya s ALA 408 Cb -0.14 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.32 3dya s ALA 408 CO 0.19 -1.08 -0.00 0.95 0.00 0.00 0.00 175.76 175.82 3dya s THR 409 N 2.66 0.12 -0.11 0.00 -4.23 -1.26 -5.14 115.64 107.68 3dya s THR 409 Ca 0.72 0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 61.17 3dya s THR 409 Cb -0.38 -0.17 0.03 0.00 1.34 0.00 0.00 72.50 73.33 3dya s THR 409 CO 0.31 0.08 0.28 0.86 -0.54 0.00 0.00 174.62 175.61 3dya s TRP 410 N 0.50 -0.32 -0.01 3.99 -0.11 -1.26 -5.02 118.94 116.70 3dya s TRP 410 Ca -0.05 0.77 0.04 0.00 1.22 0.00 0.00 56.10 58.08 3dya s TRP 410 Cb -0.07 0.10 -0.01 0.00 -1.50 0.00 0.00 33.47 31.99 3dya s TRP 410 CO -0.01 -0.17 -0.12 0.96 -4.62 0.00 0.00 176.95 172.99 3dya s ILE 411 N 0.42 0.93 1.08 5.86 -4.36 -1.26 -5.02 121.20 118.85 3dya s ILE 411 Ca -0.02 -0.49 -0.18 0.00 -0.26 0.00 0.00 60.65 59.69 3dya s ILE 411 Cb -0.04 -0.79 0.27 0.00 1.25 0.00 0.00 42.46 43.15 3dya s ILE 411 CO -0.02 0.27 0.96 -0.81 0.24 0.00 0.00 174.94 175.58 3dya n PRO 412 N 2.88 -2.88 -1.46 0.37 -0.04 -1.26 -4.81 135.00 127.81 3dya n PRO 412 Ca -0.15 -1.53 -0.57 0.00 -0.04 0.00 0.00 63.50 61.21 3dya n PRO 412 Cb 0.56 -1.43 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 3dya n PRO 412 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3dya n GLU 413 N -4.43 0.00 -3.93 0.54 2.13 -1.26 -4.83 120.64 108.86 3dya n GLU 413 Ca 0.13 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.86 3dya n GLU 413 Cb 0.52 -1.26 -0.08 0.00 0.27 0.00 0.00 31.44 30.89 3dya n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3dya s TRP 414 N 2.58 0.32 0.07 4.31 1.48 -1.26 -2.14 118.94 124.29 3dya s TRP 414 Ca 0.88 -0.74 0.05 0.00 -1.06 0.00 0.00 56.10 55.24 3dya s TRP 414 Cb -1.26 -0.13 -0.03 0.00 -1.16 0.00 0.00 33.47 30.89 3dya s TRP 414 CO 0.68 -0.57 -0.15 -1.21 -4.06 0.00 0.00 176.95 171.65 3dya s GLU 415 N -3.91 0.87 0.28 3.25 2.02 -0.50 -4.96 118.70 115.74 3dya s GLU 415 Ca 0.10 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 53.87 3dya s GLU 415 Cb 0.05 -0.89 -0.10 0.00 0.10 0.00 0.00 34.13 33.29 3dya s GLU 415 CO -0.07 0.20 1.19 0.12 0.02 0.00 0.00 175.26 176.73 3dya s PHE 416 N -1.17 3.36 -0.04 1.61 5.36 -1.26 -0.65 117.98 125.19 3dya s PHE 416 Ca -0.01 1.54 0.02 0.00 -0.96 0.00 0.00 56.93 57.52 3dya s PHE 416 Cb -0.10 -3.45 0.01 0.00 -0.34 0.00 0.00 43.02 39.14 3dya s PHE 416 CO 0.02 -1.15 -0.07 0.54 -1.46 0.00 0.00 175.22 173.10 3dya s VAL 417 N -0.94 0.72 -1.28 3.12 0.11 -0.18 -4.78 120.40 117.17 3dya s VAL 417 Ca 0.48 -0.27 -0.15 0.00 -2.93 0.00 0.00 61.98 59.11 3dya s VAL 417 Cb -0.35 -0.68 0.11 0.00 -1.53 0.00 0.00 36.38 33.94 3dya s VAL 417 CO 0.44 0.25 1.69 -3.20 -3.33 0.00 0.00 175.10 170.95 3dya n ASN 418 N 3.70 4.95 -3.95 3.54 2.85 -1.26 -4.04 115.26 121.05 3dya n ASN 418 Ca -0.22 -2.95 -0.30 0.00 -0.11 0.00 0.00 54.58 51.00 3dya n ASN 418 Cb 0.52 -1.65 -0.14 0.00 1.24 0.00 0.00 39.78 39.76 3dya n ASN 418 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3dya s THR 419 N 2.75 2.52 0.75 -0.44 -4.23 -1.26 -5.11 115.64 110.62 3dya s THR 419 Ca 0.48 -3.21 -0.12 0.00 -1.18 0.00 0.00 61.69 57.66 3dya s THR 419 Cb 0.03 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 71.15 3dya s THR 419 CO 0.03 -0.78 1.11 -2.84 -0.54 0.00 0.00 174.62 171.60 3dya s PRO 420 N -0.16 2.30 0.22 3.99 0.02 -1.26 -4.36 135.00 135.74 3dya s PRO 420 Ca 0.16 1.32 -0.30 0.00 0.02 0.00 0.00 61.00 62.21 3dya s PRO 420 Cb -0.25 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 3dya s PRO 420 CO -0.01 -1.63 1.32 -1.25 -0.33 0.00 0.00 177.00 175.10 3dya s PRO 421 N -4.54 4.38 0.33 5.54 0.04 -1.26 -4.97 135.00 134.52 3dya s PRO 421 Ca 0.65 2.09 -0.22 0.00 0.04 0.00 0.00 61.00 63.55 3dya s PRO 421 Cb -0.20 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.07 3dya s PRO 421 CO 0.51 -0.26 0.87 -0.51 0.04 0.00 0.00 177.00 177.66 3dya s LEU 422 N -0.29 4.21 -0.13 -3.56 1.02 -1.26 -4.59 118.68 114.07 3dya s LEU 422 Ca 0.56 1.64 -0.28 0.00 0.02 0.00 0.00 54.13 56.08 3dya s LEU 422 Cb -0.37 -4.06 -0.01 0.00 0.02 0.00 0.00 46.19 41.76 3dya s LEU 422 CO 0.40 -0.14 0.93 -0.69 0.02 0.00 0.00 176.35 176.87 3dya s VAL 423 N -1.78 4.83 0.13 -1.59 1.01 0.14 -5.01 120.40 118.13 3dya s VAL 423 Ca 0.52 1.86 -0.04 0.00 0.00 0.00 0.00 61.98 64.32 3dya s VAL 423 Cb -0.15 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3dya s VAL 423 CO 0.20 0.02 0.12 -1.59 0.00 0.00 0.00 175.10 173.85 3dya s LYS 424 N 2.01 0.95 -0.11 2.72 -2.85 -1.26 -4.52 119.74 116.69 3dya s LYS 424 Ca 0.44 -1.31 -0.20 0.00 -1.00 0.00 0.00 55.97 53.91 3dya s LYS 424 Cb -0.18 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 3dya s LYS 424 CO 0.16 -0.29 0.54 -0.51 0.10 0.00 0.00 175.35 175.35 3dya s LEU 425 N -3.00 4.28 0.14 2.77 1.43 -1.26 -4.78 118.68 118.26 3dya s LEU 425 Ca 0.19 0.91 0.23 0.00 -1.03 0.00 0.00 54.13 54.44 3dya s LEU 425 Cb 0.06 -2.81 0.20 0.00 0.03 0.00 0.00 46.19 43.67 3dya s LEU 425 CO -0.01 -0.05 1.20 -0.50 0.23 0.00 0.00 176.35 177.23 3dya h TRP 426 N 6.79 0.00 -3.56 0.29 4.06 -1.94 -3.46 115.95 118.13 3dya h TRP 426 Ca -0.40 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.49 3dya h TRP 426 Cb 1.18 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.26 3dya h TRP 426 CO 0.63 0.00 -0.05 1.52 -3.56 0.00 0.00 178.44 176.99 3dya s TYR 427 N -3.24 0.34 -0.08 0.49 -0.85 -1.26 -4.76 117.35 107.99 3dya s TYR 427 Ca 0.04 -0.72 -0.05 0.00 -0.52 0.00 0.00 57.07 55.82 3dya s TYR 427 Cb 0.12 0.28 0.04 0.00 0.38 0.00 0.00 41.96 42.78 3dya s TYR 427 CO 0.75 -1.09 0.20 -1.14 -1.52 0.00 0.00 175.55 172.75 3dya s GLN 428 N -3.79 0.17 0.20 -3.49 2.00 -1.26 -5.00 119.66 108.49 3dya s GLN 428 Ca 0.21 0.41 -0.28 0.00 -2.00 0.00 0.00 55.36 53.70 3dya s GLN 428 Cb -0.02 -0.08 -0.08 0.00 0.80 0.00 0.00 33.01 33.63 3dya s GLN 428 CO 0.10 -0.13 0.86 -0.51 -0.50 0.00 0.00 175.29 175.11 3dya s LEU 429 N 0.94 4.62 0.61 3.68 1.43 -1.26 -4.65 118.68 124.04 3dya s LEU 429 Ca -0.07 1.79 -0.19 0.00 -1.03 0.00 0.00 54.13 54.63 3dya s LEU 429 Cb -0.08 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3dya s LEU 429 CO -0.05 0.17 1.29 -0.62 0.23 0.00 0.00 176.35 177.37 3dya n GLU 430 N 1.61 1.28 0.01 1.70 -0.58 0.43 -4.94 120.64 120.16 3dya n GLU 430 Ca -0.04 0.49 0.12 0.00 -0.42 0.00 0.00 57.16 57.32 3dya n GLU 430 Cb 0.48 -2.52 0.32 0.00 -0.57 0.00 0.00 31.44 29.14 3dya n GLU 430 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3dya n LYS 431 N -1.57 0.06 -3.92 3.49 4.01 -1.26 -4.71 118.16 114.27 3dya n LYS 431 Ca 0.14 0.02 -0.09 0.00 -0.51 0.00 0.00 58.31 57.88 3dya n LYS 431 Cb 0.47 -1.54 -0.08 0.00 -0.51 0.00 0.00 35.03 33.36 3dya n LYS 431 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3dya s GLU 432 N -3.03 0.72 0.35 1.97 0.41 -1.26 -5.13 118.70 112.73 3dya s GLU 432 Ca 0.11 -0.92 -0.28 0.00 -0.41 0.00 0.00 54.97 53.47 3dya s GLU 432 Cb 0.17 0.28 -0.12 0.00 -1.78 0.00 0.00 34.13 32.68 3dya s GLU 432 CO 0.67 -0.20 1.34 -2.30 -0.49 0.00 0.00 175.26 174.28 3dya n PRO 433 N 0.27 2.27 -3.04 0.39 -0.02 -1.26 -4.78 135.00 128.83 3dya n PRO 433 Ca -0.16 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 3dya n PRO 433 Cb 0.61 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3dya n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dya s ILE 434 N -1.10 4.94 0.27 4.25 1.01 -1.26 -5.04 121.20 124.26 3dya s ILE 434 Ca 0.55 1.28 -0.29 0.00 0.00 0.00 0.00 60.65 62.19 3dya s ILE 434 Cb -0.54 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 37.84 3dya s ILE 434 CO 0.63 0.00 1.23 -0.69 0.00 0.00 0.00 174.94 176.11 3dya s VAL 435 N 2.54 3.17 -0.64 2.92 1.01 -1.26 -3.05 120.40 125.09 3dya s VAL 435 Ca 0.29 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.37 3dya s VAL 435 Cb -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3dya s VAL 435 CO 0.08 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3dya n GLY 436 N 1.46 0.84 3.49 4.51 0.00 -1.26 -5.01 105.19 109.22 3dya n GLY 436 Ca 0.02 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 3dya n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dya s ALA 437 N -2.22 2.70 0.01 4.61 0.00 -1.17 -5.07 121.76 120.62 3dya s ALA 437 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 3dya s ALA 437 Cb 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 3dya s ALA 437 CO 0.00 0.56 1.36 -2.00 0.00 0.00 0.00 175.76 175.68 3dya s GLU 438 N -0.84 4.31 -0.29 0.00 2.12 -1.26 -4.76 118.70 117.98 3dya s GLU 438 Ca 0.12 1.93 -0.24 0.00 0.36 0.00 0.00 54.97 57.14 3dya s GLU 438 Cb -0.11 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.77 3dya s GLU 438 CO 0.01 -0.52 0.82 0.99 -0.54 0.00 0.00 175.26 176.03 3dya s THR 439 N 2.13 4.77 -0.27 -1.70 2.01 -1.26 -2.40 115.64 118.93 3dya s THR 439 Ca 0.63 1.31 -0.13 0.00 0.31 0.00 0.00 61.69 63.81 3dya s THR 439 Cb -0.31 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 3dya s THR 439 CO 0.27 -0.24 0.27 -0.36 -0.69 0.00 0.00 174.62 173.87 3dya s PHE 440 N 3.00 3.25 -0.36 4.92 0.40 0.97 -2.52 117.98 127.64 3dya s PHE 440 Ca 0.34 0.28 -0.19 0.00 -0.60 0.00 0.00 56.93 56.76 3dya s PHE 440 Cb -0.14 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 40.93 3dya s PHE 440 CO 0.12 -0.16 0.58 0.71 0.70 0.00 0.00 175.22 177.17 3dya s TYR 441 N 1.79 3.16 0.16 0.36 1.51 0.11 -0.40 117.35 124.04 3dya s TYR 441 Ca 0.11 0.22 0.05 0.00 -1.01 0.00 0.00 57.07 56.44 3dya s TYR 441 Cb -0.16 -3.05 -0.04 0.00 -0.11 0.00 0.00 41.96 38.60 3dya s TYR 441 CO 0.10 -0.61 0.14 0.14 -1.11 0.00 0.00 175.55 174.21 3dya s VAL 442 N 2.56 4.51 0.05 0.71 -7.23 -0.38 -1.54 120.40 119.08 3dya s VAL 442 Ca 0.21 -1.07 -0.27 0.00 -1.81 0.00 0.00 61.98 59.05 3dya s VAL 442 Cb -0.15 -3.30 0.07 0.00 0.56 0.00 0.00 36.38 33.56 3dya s VAL 442 CO 0.14 -0.10 0.64 -0.62 -0.31 0.00 0.00 175.10 174.85 3dya s ASP 443 N -3.09 -0.61 0.00 4.85 2.15 -0.82 -4.51 116.67 114.65 3dya s ASP 443 Ca 0.31 0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.66 3dya s ASP 443 Cb -0.10 0.57 -0.01 0.00 -0.30 0.00 0.00 42.92 43.08 3dya s ASP 443 CO 0.23 -0.78 -0.04 -0.83 -0.17 0.00 0.00 175.17 173.59 3dya s GLY 444 N -1.95 0.20 -0.05 2.66 0.00 -1.26 -1.96 107.32 104.95 3dya s GLY 444 Ca -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.39 3dya s GLY 444 CO -0.01 -0.24 0.11 0.00 0.00 0.00 0.00 173.10 172.96 3dya s ALA 445 N -0.35 -0.23 -0.06 3.20 0.00 -0.95 -4.74 121.76 118.65 3dya s ALA 445 Ca -0.02 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.43 3dya s ALA 445 Cb -0.03 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3dya s ALA 445 CO -0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 175.76 175.56 3dya s ALA 446 N 0.65 1.08 0.16 0.00 0.00 -1.26 -1.45 121.76 120.94 3dya s ALA 446 Ca -0.05 -0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.29 3dya s ALA 446 Cb -0.07 -0.51 -0.09 0.00 0.00 0.00 0.00 23.12 22.46 3dya s ALA 446 CO -0.03 0.09 1.42 1.21 0.00 0.00 0.00 175.76 178.45 3dya s ASN 447 N 0.68 6.76 0.30 0.00 3.84 -0.11 -4.79 114.94 121.63 3dya s ASN 447 Ca -0.13 2.46 0.13 0.00 0.21 0.00 0.00 52.86 55.53 3dya s ASN 447 Cb -0.15 -2.60 0.42 0.00 -0.55 0.00 0.00 41.25 38.37 3dya s ASN 447 CO 0.03 -0.67 1.63 -0.09 -2.79 0.00 0.00 177.10 175.20 3dya h ARG 448 N 6.20 0.00 0.05 0.43 9.65 -1.96 -1.23 114.38 127.52 3dya h ARG 448 Ca -0.43 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.09 3dya h ARG 448 Cb 1.21 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.75 3dya h ARG 448 CO 0.84 0.55 -1.99 0.39 2.80 0.00 0.00 179.97 182.56 3dya n GLU 449 N -3.64 0.67 0.14 0.20 4.71 -1.26 -4.28 120.64 117.17 3dya n GLU 449 Ca -0.01 0.32 0.12 0.00 -0.01 0.00 0.00 57.16 57.58 3dya n GLU 449 Cb 0.60 -1.65 0.26 0.00 -1.01 0.00 0.00 31.44 29.64 3dya n GLU 449 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 3dya h THR 450 N -0.34 0.00 -2.49 2.62 1.35 -1.99 -3.47 112.91 108.58 3dya h THR 450 Ca -0.48 -0.71 -0.29 0.00 -0.55 0.00 0.00 66.41 64.38 3dya h THR 450 Cb 1.78 1.62 -0.06 0.00 -1.73 0.00 0.00 68.15 69.75 3dya h THR 450 CO -0.09 0.00 -0.32 0.29 -0.25 0.00 0.00 175.52 175.16 3dya n LYS 451 N -2.58 -1.71 -2.59 4.72 4.01 -0.46 -4.65 118.16 114.89 3dya n LYS 451 Ca 0.04 0.76 -0.31 0.00 -0.51 0.00 0.00 58.31 58.30 3dya n LYS 451 Cb 0.48 -5.21 -0.03 0.00 -0.51 0.00 0.00 35.03 29.77 3dya n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3dya s LEU 452 N -4.81 3.69 0.12 -0.35 1.43 -1.25 -0.36 118.68 117.15 3dya s LEU 452 Ca 0.00 1.28 -0.09 0.00 -1.03 0.00 0.00 54.13 54.29 3dya s LEU 452 Cb 0.00 -4.20 -0.00 0.00 0.03 0.00 0.00 46.19 42.02 3dya s LEU 452 CO 0.00 -0.52 0.24 -0.83 0.23 0.00 0.00 176.35 175.47 3dya s GLY 453 N -3.32 0.21 -0.04 -3.19 0.00 0.00 -0.93 107.32 100.05 3dya s GLY 453 Ca 0.54 -0.68 -0.00 0.00 0.00 0.00 0.00 44.72 44.58 3dya s GLY 453 CO 0.35 -0.78 0.01 0.54 0.00 0.00 0.00 173.10 173.21 3dya s LYS 454 N -3.90 0.31 -0.03 2.90 -0.14 -0.53 -0.15 119.74 118.20 3dya s LYS 454 Ca 0.09 0.11 0.06 0.00 -1.36 0.00 0.00 55.97 54.87 3dya s LYS 454 Cb 0.04 -0.55 -0.01 0.00 -1.68 0.00 0.00 37.83 35.63 3dya s LYS 454 CO -0.07 -0.17 -0.22 0.00 -0.76 0.00 0.00 175.35 174.12 3dya s ALA 455 N 1.25 1.88 0.29 5.17 0.00 -0.94 -2.23 121.76 127.18 3dya s ALA 455 Ca -0.07 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 3dya s ALA 455 Cb -0.13 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.51 3dya s ALA 455 CO -0.02 0.41 0.90 0.20 0.00 0.00 0.00 175.76 177.25 3dya s GLY 456 N -0.30 0.22 0.06 0.00 0.00 -0.83 -0.04 107.32 106.44 3dya s GLY 456 Ca 0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 44.72 44.13 3dya s GLY 456 CO 0.01 0.93 0.20 -2.52 0.00 0.00 0.00 173.10 171.72 3dya s TYR 457 N -2.33 0.09 0.03 1.90 -0.85 -0.41 -1.94 117.35 113.83 3dya s TYR 457 Ca 0.18 -0.42 0.05 0.00 -0.52 0.00 0.00 57.07 56.37 3dya s TYR 457 Cb -0.04 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.25 3dya s TYR 457 CO 0.08 -0.49 -0.15 0.08 -1.52 0.00 0.00 175.55 173.55 3dya s VAL 458 N -3.22 1.23 0.29 -3.49 1.01 -0.59 -1.62 120.40 114.01 3dya s VAL 458 Ca -0.00 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3dya s VAL 458 Cb 0.02 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 3dya s VAL 458 CO -0.07 0.12 0.02 0.42 0.00 0.00 0.00 175.10 175.59 3dya s THR 459 N -0.72 1.18 -1.20 3.92 -4.23 -0.39 -0.71 115.64 113.48 3dya s THR 459 Ca 0.04 -2.03 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 3dya s THR 459 Cb -0.07 -2.60 0.35 0.00 1.34 0.00 0.00 72.50 71.52 3dya s THR 459 CO 0.01 -0.14 1.92 -0.46 -0.54 0.00 0.00 174.62 175.41 3dya n ASN 460 N -0.58 0.00 -0.41 3.99 6.94 -1.05 -2.20 115.26 121.95 3dya n ASN 460 Ca -0.03 0.21 0.13 0.00 -0.02 0.00 0.00 54.58 54.86 3dya n ASN 460 Cb 0.65 -0.40 0.36 0.00 -2.36 0.00 0.00 39.78 38.03 3dya n ASN 460 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3dya n ARG 461 N -1.40 1.29 -0.06 -3.83 3.00 -1.26 -4.97 116.66 109.43 3dya n ARG 461 Ca 0.10 -0.83 0.00 0.00 -0.01 0.00 0.00 57.85 57.11 3dya n ARG 461 Cb 0.27 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.25 3dya n ARG 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3dya n GLY 462 N 1.30 0.69 3.75 -0.13 0.00 -0.93 -5.07 105.19 104.79 3dya n GLY 462 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3dya n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dya s ARG 463 N -0.76 2.34 0.00 1.61 0.52 -1.26 -4.78 118.95 116.61 3dya s ARG 463 Ca 0.00 1.39 -0.17 0.00 -0.52 0.00 0.00 55.73 56.42 3dya s ARG 463 Cb 0.00 -1.89 0.03 0.00 0.52 0.00 0.00 34.95 33.61 3dya s ARG 463 CO 0.00 -1.61 0.38 -0.65 0.02 0.00 0.00 175.30 173.44 3dya s GLN 464 N -4.39 0.79 -0.21 3.54 -0.21 -1.26 -1.26 119.66 116.66 3dya s GLN 464 Ca 0.66 -0.22 -0.30 0.00 0.02 0.00 0.00 55.36 55.52 3dya s GLN 464 Cb -0.21 0.35 0.15 0.00 1.00 0.00 0.00 33.01 34.31 3dya s GLN 464 CO 0.49 -0.24 1.15 0.21 -2.12 0.00 0.00 175.29 174.78 3dya s LYS 465 N -1.74 0.37 -0.14 2.91 2.20 -0.64 -4.95 119.74 117.75 3dya s LYS 465 Ca -0.10 0.06 -0.11 0.00 -0.36 0.00 0.00 55.97 55.46 3dya s LYS 465 Cb -0.03 0.17 0.04 0.00 -1.51 0.00 0.00 37.83 36.50 3dya s LYS 465 CO 0.02 -0.12 0.36 0.08 -0.36 0.00 0.00 175.35 175.33 3dya s VAL 466 N -1.22 -0.01 0.36 4.02 1.01 -1.26 -1.29 120.40 122.00 3dya s VAL 466 Ca 0.03 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.10 3dya s VAL 466 Cb -0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.79 3dya s VAL 466 CO -0.03 0.01 0.03 0.68 0.00 0.00 0.00 175.10 175.79 3dya s VAL 467 N 0.52 1.58 -0.07 2.92 -7.23 0.94 -4.97 120.40 114.10 3dya s VAL 467 Ca -0.03 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 3dya s VAL 467 Cb -0.04 -2.84 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 3dya s VAL 467 CO -0.03 -0.03 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.63 3dya s THR 468 N -3.02 1.78 0.10 5.32 2.01 -1.26 -2.20 115.64 118.36 3dya s THR 468 Ca 0.35 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.53 3dya s THR 468 Cb 0.09 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 3dya s THR 468 CO 0.16 0.50 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.67 3dya s LEU 469 N 0.12 2.33 0.03 4.42 1.43 0.79 -4.99 118.68 122.81 3dya s LEU 469 Ca -0.09 -0.70 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 3dya s LEU 469 Cb -0.15 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 3dya s LEU 469 CO 0.05 -0.05 -0.22 0.42 0.23 0.00 0.00 176.35 176.77 3dya s THR 470 N -1.52 1.75 -1.37 5.49 -4.23 -1.26 -0.82 115.64 113.68 3dya s THR 470 Ca 0.04 -1.18 -0.10 0.00 -1.18 0.00 0.00 61.69 59.28 3dya s THR 470 Cb -0.08 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.26 3dya s THR 470 CO 0.03 0.28 0.41 -0.67 -0.54 0.00 0.00 174.62 174.13 3dya n ASP 471 N 1.97 -1.44 -4.93 3.99 2.03 0.51 -4.96 116.55 113.72 3dya n ASP 471 Ca -0.17 -1.14 -0.21 0.00 0.52 0.00 0.00 54.79 53.79 3dya n ASP 471 Cb 0.53 -2.43 -0.00 0.00 -0.72 0.00 0.00 41.12 38.50 3dya n ASP 471 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3dya s THR 472 N -3.92 2.41 0.38 5.18 -4.23 -0.39 -5.03 115.64 110.03 3dya s THR 472 Ca 0.17 -1.26 0.08 0.00 -1.18 0.00 0.00 61.69 59.50 3dya s THR 472 Cb -0.08 -2.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 3dya s THR 472 CO 0.93 0.00 0.13 0.42 -0.54 0.00 0.00 174.62 175.56 3dya s THR 473 N -2.55 2.50 0.25 3.99 -4.23 -1.26 -4.73 115.64 109.60 3dya s THR 473 Ca 0.49 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.17 3dya s THR 473 Cb -0.04 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 71.06 3dya s THR 473 CO 0.29 -0.08 1.87 0.78 -0.54 0.00 0.00 174.62 176.94 3dya h ASN 474 N 1.56 1.06 0.06 3.99 2.35 -1.94 -2.18 115.58 120.48 3dya h ASN 474 Ca -0.43 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.25 3dya h ASN 474 Cb 1.25 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.31 3dya h ASN 474 CO 0.68 0.86 -0.30 1.56 -1.65 0.00 0.00 177.43 178.58 3dya h GLN 475 N 1.19 -0.47 -0.73 0.81 4.20 -1.96 -2.30 115.11 115.85 3dya h GLN 475 Ca 0.30 0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.09 3dya h GLN 475 Cb 0.04 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3dya h GLN 475 CO -0.05 -0.31 0.48 0.87 -0.67 0.00 0.00 178.83 179.15 3dya h LYS 476 N -0.48 0.79 -0.03 1.46 1.57 -1.90 -2.63 116.57 115.35 3dya h LYS 476 Ca 0.05 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3dya h LYS 476 Cb 0.54 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3dya h LYS 476 CO -0.21 0.53 -0.66 1.79 -0.57 0.00 0.00 179.45 180.33 3dya h THR 477 N 0.82 1.44 -0.46 -0.16 1.35 -1.15 -0.21 112.91 114.54 3dya h THR 477 Ca 0.31 -2.18 -0.10 0.00 -0.55 0.00 0.00 66.41 63.89 3dya h THR 477 Cb 0.17 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 3dya h THR 477 CO -0.10 0.63 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.38 3dya h GLU 478 N 0.08 0.87 -0.72 4.72 4.39 -1.09 0.13 114.58 122.96 3dya h GLU 478 Ca -0.01 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.30 3dya h GLU 478 Cb 1.17 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 3dya h GLU 478 CO 0.09 0.97 0.22 -0.07 -1.16 0.00 0.00 179.01 179.06 3dya h LEU 479 N 0.71 1.06 -0.76 1.33 4.07 -1.44 -2.69 115.31 117.60 3dya h LEU 479 Ca 0.12 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 57.81 3dya h LEU 479 Cb 0.64 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 3dya h LEU 479 CO 0.04 1.00 0.26 -0.61 -1.08 0.00 0.00 178.44 178.05 3dya h GLN 480 N 1.08 1.17 -0.87 1.13 5.75 -0.69 -1.51 115.11 121.16 3dya h GLN 480 Ca 0.23 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3dya h GLN 480 Cb 0.32 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 3dya h GLN 480 CO -0.01 0.98 0.48 0.00 -2.65 0.00 0.00 178.83 177.64 3dya h ALA 481 N 1.14 1.12 -0.35 3.38 0.00 -0.67 -1.74 119.26 122.13 3dya h ALA 481 Ca 0.25 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3dya h ALA 481 Cb 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dya h ALA 481 CO -0.01 0.62 -0.35 0.82 0.00 0.00 0.00 179.25 180.32 3dya h ILE 482 N 1.21 1.28 -0.62 0.00 2.04 -1.11 -2.76 117.51 117.55 3dya h ILE 482 Ca 0.31 -1.52 -0.08 0.00 1.00 0.00 0.00 64.86 64.57 3dya h ILE 482 Cb 0.02 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3dya h ILE 482 CO -0.05 0.50 0.06 0.22 0.00 0.00 0.00 178.15 178.88 3dya h TYR 483 N 0.66 1.12 -0.19 1.37 3.20 -1.02 -1.85 116.97 120.27 3dya h TYR 483 Ca 0.06 -0.17 0.05 0.00 3.14 0.00 0.00 58.73 61.82 3dya h TYR 483 Cb 0.91 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 3dya h TYR 483 CO 0.05 0.96 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.29 3dya h LEU 484 N 0.97 -0.54 -1.00 2.82 3.38 -1.21 0.47 115.31 120.20 3dya h LEU 484 Ca 0.19 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3dya h LEU 484 Cb 0.48 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3dya h LEU 484 CO 0.02 -0.21 -0.13 0.00 0.09 0.00 0.00 178.44 178.20 3dya h ALA 485 N 0.90 1.16 -0.38 1.53 0.00 -1.31 -0.43 119.26 120.73 3dya h ALA 485 Ca 0.12 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3dya h ALA 485 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3dya h ALA 485 CO -0.30 0.53 -0.31 -0.07 0.00 0.00 0.00 179.25 179.11 3dya h LEU 486 N 0.52 0.93 -0.63 0.00 3.38 -1.16 -3.09 115.31 115.25 3dya h LEU 486 Ca 0.09 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3dya h LEU 486 Cb 0.54 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3dya h LEU 486 CO 0.03 1.18 0.33 1.56 0.09 0.00 0.00 178.44 181.63 3dya h GLN 487 N 0.69 0.89 -0.66 1.13 4.20 -0.31 -3.17 115.11 117.89 3dya h GLN 487 Ca 0.07 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3dya h GLN 487 Cb 0.89 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3dya h GLN 487 CO 0.08 0.69 0.00 -0.25 -0.67 0.00 0.00 178.83 178.68 3dya n ASP 488 N -4.53 3.93 -4.71 1.46 8.00 -0.23 -4.94 116.55 115.55 3dya n ASP 488 Ca 0.04 -2.48 -0.24 0.00 0.71 0.00 0.00 54.79 52.82 3dya n ASP 488 Cb 0.10 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.58 3dya n ASP 488 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3dya s SER 489 N -0.67 4.95 0.00 -2.24 0.15 -1.17 -5.04 113.70 109.68 3dya s SER 489 Ca 0.38 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.62 3dya s SER 489 Cb 0.26 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 3dya s SER 489 CO 0.15 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.23 3dya n GLY 490 N -0.59 -1.79 0.09 9.45 0.00 -1.26 -4.96 105.19 106.13 3dya n GLY 490 Ca -0.08 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.64 3dya n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dya h LEU 491 N 0.00 0.00 -8.49 0.99 3.38 -1.96 -3.44 115.31 105.79 3dya h LEU 491 Ca 0.00 -0.10 -0.66 0.00 0.09 0.00 0.00 57.88 57.21 3dya h LEU 491 Cb 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.45 3dya h LEU 491 CO 0.00 0.05 -0.88 -1.61 0.09 0.00 0.00 178.44 176.09 3dya s GLU 492 N -3.15 2.11 -0.26 1.13 2.02 -1.26 -0.59 118.70 118.71 3dya s GLU 492 Ca 0.08 -0.85 -0.24 0.00 0.02 0.00 0.00 54.97 53.99 3dya s GLU 492 Cb 0.12 -1.93 0.07 0.00 0.10 0.00 0.00 34.13 32.49 3dya s GLU 492 CO 0.67 0.44 0.69 0.54 0.02 0.00 0.00 175.26 177.62 3dya s VAL 493 N -0.37 0.00 -0.14 2.63 0.11 -0.74 -4.38 120.40 117.50 3dya s VAL 493 Ca 0.04 -0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.03 3dya s VAL 493 Cb -0.11 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 3dya s VAL 493 CO 0.01 -0.00 0.06 0.20 -3.33 0.00 0.00 175.10 172.04 3dya s ASN 494 N 0.35 5.66 -0.10 3.54 0.01 -1.01 -1.74 114.94 121.64 3dya s ASN 494 Ca -0.00 0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.34 3dya s ASN 494 Cb -0.05 -1.85 0.01 0.00 0.41 0.00 0.00 41.25 39.78 3dya s ASN 494 CO 0.01 0.28 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.10 3dya s ILE 495 N -0.27 1.48 -0.26 0.60 1.01 -0.20 -0.02 121.20 123.55 3dya s ILE 495 Ca 0.08 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 3dya s ILE 495 Cb -0.12 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.00 3dya s ILE 495 CO 0.02 0.44 0.01 -0.69 0.00 0.00 0.00 174.94 174.71 3dya s VAL 496 N 0.90 3.58 0.30 2.92 1.01 0.47 -1.12 120.40 128.46 3dya s VAL 496 Ca -0.08 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.35 3dya s VAL 496 Cb -0.15 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3dya s VAL 496 CO -0.00 0.24 -0.07 0.28 0.00 0.00 0.00 175.10 175.55 3dya s THR 497 N 1.47 2.80 -0.80 3.92 -1.32 -0.48 -1.25 115.64 119.97 3dya s THR 497 Ca 0.03 -2.11 0.13 0.00 -1.21 0.00 0.00 61.69 58.53 3dya s THR 497 Cb -0.16 -2.64 0.40 0.00 -1.51 0.00 0.00 72.50 68.60 3dya s THR 497 CO -0.01 -0.32 1.33 -0.90 -2.21 0.00 0.00 174.62 172.52 3dya n ASP 498 N -0.82 3.33 -4.45 8.08 3.85 -1.26 -1.04 116.55 124.24 3dya n ASP 498 Ca -0.05 -2.28 -0.44 0.00 -0.71 0.00 0.00 54.79 51.32 3dya n ASP 498 Cb 0.61 -0.34 -0.07 0.00 -1.35 0.00 0.00 41.12 39.96 3dya n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3dya s SER 499 N -1.22 6.21 0.33 -1.12 0.15 -1.26 -4.68 113.70 112.11 3dya s SER 499 Ca 0.31 -0.89 0.01 0.00 0.70 0.00 0.00 55.95 56.07 3dya s SER 499 Cb 0.19 -2.25 0.56 0.00 -1.71 0.00 0.00 66.02 62.81 3dya s SER 499 CO 0.15 -0.75 1.98 -0.61 1.20 0.00 0.00 173.24 175.21 3dya h GLN 500 N 8.87 0.88 0.20 5.44 4.15 -1.95 -2.77 115.11 129.94 3dya h GLN 500 Ca -0.27 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.09 3dya h GLN 500 Cb 1.10 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.57 3dya h GLN 500 CO 0.90 0.61 -0.30 -0.92 -1.93 0.00 0.00 178.83 177.19 3dya h TYR 501 N 0.90 -0.82 -0.66 3.99 3.20 -1.99 0.74 116.97 122.34 3dya h TYR 501 Ca 0.24 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 3dya h TYR 501 Cb -0.05 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 3dya h TYR 501 CO 0.00 -0.42 0.18 0.00 -1.64 0.00 0.00 178.16 176.28 3dya h ALA 502 N 0.04 0.86 -0.54 1.82 0.00 -1.93 -2.44 119.26 117.07 3dya h ALA 502 Ca 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3dya h ALA 502 Cb 0.57 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3dya h ALA 502 CO -0.12 0.56 0.35 1.25 0.00 0.00 0.00 179.25 181.29 3dya h LEU 503 N 0.96 0.60 -0.64 0.00 5.85 -1.31 -2.00 115.31 118.77 3dya h LEU 503 Ca 0.21 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.97 3dya h LEU 503 Cb 0.33 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3dya h LEU 503 CO -0.00 0.43 0.37 1.23 -0.34 0.00 0.00 178.44 180.12 3dya h GLY 504 N 0.71 0.93 0.88 3.75 0.00 -0.60 0.16 103.07 108.90 3dya h GLY 504 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 3dya h GLY 504 CO -0.06 0.18 0.07 -2.22 0.00 0.00 0.00 176.54 174.51 3dya h ILE 505 N 0.69 1.20 0.06 2.60 2.04 -1.06 -3.17 117.51 119.88 3dya h ILE 505 Ca 0.28 -0.65 -0.25 0.00 1.00 0.00 0.00 64.86 65.23 3dya h ILE 505 Cb 0.13 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3dya h ILE 505 CO -0.16 0.21 -1.09 0.40 0.00 0.00 0.00 178.15 177.52 3dya h ILE 506 N 0.22 1.41 0.00 -0.67 2.04 -1.20 -3.15 117.51 116.16 3dya h ILE 506 Ca 0.08 -2.63 -0.00 0.00 1.00 0.00 0.00 64.86 63.31 3dya h ILE 506 Cb 0.26 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3dya h ILE 506 CO -0.00 0.78 -0.01 1.56 0.00 0.00 0.00 178.15 180.48 3dya h GLN 507 N 0.19 0.00 -0.05 2.37 4.20 -0.98 -1.99 115.11 118.86 3dya h GLN 507 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3dya h GLN 507 Cb 1.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.54 3dya h GLN 507 CO 0.19 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.36 3dya n ALA 508 N -2.34 2.56 -3.83 3.87 0.00 -1.19 -4.93 120.51 114.66 3dya n ALA 508 Ca -0.03 -0.19 -0.25 0.00 0.00 0.00 0.00 53.44 52.98 3dya n ALA 508 Cb 0.09 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.36 3dya n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dya n GLN 509 N -0.48 -3.49 -1.70 0.00 6.02 -0.75 -4.79 117.38 112.20 3dya n GLN 509 Ca 0.11 0.48 -0.37 0.00 -0.01 0.00 0.00 57.00 57.22 3dya n GLN 509 Cb 0.11 -4.68 0.07 0.00 1.02 0.00 0.00 30.24 26.75 3dya n GLN 509 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3dya n PRO 510 N -4.32 1.07 0.00 -1.09 -0.04 -1.26 -4.61 135.00 124.76 3dya n PRO 510 Ca -0.28 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3dya n PRO 510 Cb 0.67 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 3dya n PRO 510 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dya n ASP 511 N -1.62 1.03 -3.71 3.54 5.68 -0.31 -4.91 116.55 116.25 3dya n ASP 511 Ca 0.15 -1.22 -0.13 0.00 -0.50 0.00 0.00 54.79 53.09 3dya n ASP 511 Cb 0.48 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.36 3dya n ASP 511 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 3dya s GLN 512 N -0.22 0.55 -0.02 0.11 0.74 -0.97 -5.02 119.66 114.83 3dya s GLN 512 Ca 0.00 0.70 -0.19 0.00 0.05 0.00 0.00 55.36 55.92 3dya s GLN 512 Cb 0.00 0.25 0.04 0.00 1.10 0.00 0.00 33.01 34.39 3dya s GLN 512 CO 0.00 -0.08 0.41 0.45 -0.55 0.00 0.00 175.29 175.52 3dya s SER 513 N 0.39 -0.31 0.40 6.67 0.15 -1.26 -2.14 113.70 117.60 3dya s SER 513 Ca -0.01 0.23 0.19 0.00 0.70 0.00 0.00 55.95 57.06 3dya s SER 513 Cb -0.04 0.37 0.82 0.00 -1.71 0.00 0.00 66.02 65.47 3dya s SER 513 CO -0.01 -0.50 1.81 -0.33 1.20 0.00 0.00 173.24 175.41 3dya h GLU 514 N 3.59 0.00 -6.08 5.44 5.08 -1.60 -3.45 114.58 117.56 3dya h GLU 514 Ca -0.29 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.51 3dya h GLU 514 Cb 1.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 3dya h GLU 514 CO 0.40 0.33 0.09 0.45 -1.00 0.00 0.00 179.01 179.28 3dya s SER 515 N -6.49 7.02 0.07 1.42 0.15 -1.26 -4.98 113.70 109.64 3dya s SER 515 Ca -0.01 1.23 -0.26 0.00 0.70 0.00 0.00 55.95 57.61 3dya s SER 515 Cb 0.12 -2.42 -0.16 0.00 -1.71 0.00 0.00 66.02 61.85 3dya s SER 515 CO 0.68 -0.07 1.65 -0.08 1.20 0.00 0.00 173.24 176.61 3dya h GLU 516 N 6.46 -0.23 -0.43 5.44 4.57 -2.00 -2.13 114.58 126.27 3dya h GLU 516 Ca -0.42 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 57.86 3dya h GLU 516 Cb 1.20 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.75 3dya h GLU 516 CO 0.74 -0.11 -0.24 1.25 -1.18 0.00 0.00 179.01 179.47 3dya h LEU 517 N -0.29 -0.81 -1.00 1.64 6.46 -1.99 -0.73 115.31 118.59 3dya h LEU 517 Ca -0.02 0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 3dya h LEU 517 Cb 0.23 0.42 -0.05 0.00 -0.73 0.00 0.00 40.66 40.53 3dya h LEU 517 CO 0.04 -0.26 0.65 0.58 -0.62 0.00 0.00 178.44 178.82 3dya h VAL 518 N -0.16 1.26 -0.07 1.05 2.07 -1.95 0.65 116.25 119.10 3dya h VAL 518 Ca 0.20 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 3dya h VAL 518 Cb 0.47 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3dya h VAL 518 CO -0.52 0.26 -0.29 0.78 0.02 0.00 0.00 177.57 177.81 3dya h ASN 519 N 1.36 0.12 -0.32 0.57 2.35 -0.86 -1.27 115.58 117.53 3dya h ASN 519 Ca 0.36 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.97 3dya h ASN 519 Cb -0.13 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3dya h ASN 519 CO -0.08 0.41 -0.21 1.56 -1.65 0.00 0.00 177.43 177.47 3dya h GLN 520 N 0.11 0.71 -0.83 0.81 4.20 0.04 -2.22 115.11 117.93 3dya h GLN 520 Ca 0.02 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.42 3dya h GLN 520 Cb 0.57 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 3dya h GLN 520 CO 0.04 0.94 0.55 0.82 -0.67 0.00 0.00 178.83 180.51 3dya h ILE 521 N 0.48 1.14 -0.22 2.54 2.04 -0.68 -2.83 117.51 119.98 3dya h ILE 521 Ca 0.07 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 3dya h ILE 521 Cb 0.76 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3dya h ILE 521 CO 0.06 0.19 -0.19 0.40 0.00 0.00 0.00 178.15 178.61 3dya h ILE 522 N 1.04 1.32 -0.69 -0.67 2.04 -1.07 -0.98 117.51 118.50 3dya h ILE 522 Ca 0.33 -1.34 0.13 0.00 1.00 0.00 0.00 64.86 64.98 3dya h ILE 522 Cb 0.02 1.70 -0.13 0.00 -0.74 0.00 0.00 36.82 37.66 3dya h ILE 522 CO -0.09 0.41 -0.26 -0.33 0.00 0.00 0.00 178.15 177.88 3dya h GLU 523 N 0.21 -0.07 -0.33 2.37 5.08 -1.31 -1.47 114.58 119.07 3dya h GLU 523 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3dya h GLU 523 Cb 0.73 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3dya h GLU 523 CO 0.05 -0.04 0.11 1.96 -1.00 0.00 0.00 179.01 180.09 3dya h GLN 524 N -0.07 0.50 -0.40 2.33 1.08 -1.26 -2.71 115.11 114.59 3dya h GLN 524 Ca 0.30 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3dya h GLN 524 Cb 0.55 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 3dya h GLN 524 CO -0.74 0.53 0.08 -0.07 -0.95 0.00 0.00 178.83 177.68 3dya h LEU 525 N 0.37 0.55 -0.24 1.46 3.38 -0.71 -2.04 115.31 118.09 3dya h LEU 525 Ca 0.11 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3dya h LEU 525 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3dya h LEU 525 CO -0.00 0.57 0.03 0.40 0.09 0.00 0.00 178.44 179.53 3dya h ILE 526 N 0.59 1.23 -0.34 1.22 2.04 -1.17 -3.09 117.51 117.98 3dya h ILE 526 Ca 0.13 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3dya h ILE 526 Cb 0.25 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3dya h ILE 526 CO -0.00 0.25 0.15 0.11 0.00 0.00 0.00 178.15 178.65 3dya h LYS 527 N 0.20 0.47 -7.24 2.37 1.57 -1.12 -3.45 116.57 109.38 3dya h LYS 527 Ca 0.07 -0.05 -0.53 0.00 -1.87 0.00 0.00 60.65 58.27 3dya h LYS 527 Cb 0.33 -0.09 0.18 0.00 0.08 0.00 0.00 32.23 32.73 3dya h LYS 527 CO 0.01 0.39 0.30 0.15 -0.57 0.00 0.00 179.45 179.73 3dya s LYS 528 N -5.26 1.54 -0.17 3.15 -0.14 -0.81 -4.97 119.74 113.09 3dya s LYS 528 Ca -0.08 1.62 -0.03 0.00 -1.36 0.00 0.00 55.97 56.12 3dya s LYS 528 Cb 0.17 -1.78 -0.23 0.00 -1.68 0.00 0.00 37.83 34.31 3dya s LYS 528 CO 0.74 -2.26 0.15 0.39 -0.76 0.00 0.00 175.35 173.61 3dya n GLU 529 N -3.59 0.72 -3.77 1.68 1.02 0.24 -4.96 120.64 111.98 3dya n GLU 529 Ca 0.12 0.22 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 3dya n GLU 529 Cb 0.51 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 30.15 3dya n GLU 529 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3dya s LYS 530 N -2.54 0.11 -0.06 3.49 1.02 -0.73 -5.01 119.74 116.02 3dya s LYS 530 Ca -0.27 0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.05 3dya s LYS 530 Cb 0.07 -0.11 0.02 0.00 -0.52 0.00 0.00 37.83 37.29 3dya s LYS 530 CO 0.71 -0.13 -0.05 0.08 -0.92 0.00 0.00 175.35 175.04 3dya s VAL 531 N 0.88 0.65 -0.08 3.17 1.01 -1.26 -1.79 120.40 122.97 3dya s VAL 531 Ca -0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 3dya s VAL 531 Cb -0.09 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3dya s VAL 531 CO -0.04 0.27 -0.06 -0.47 0.00 0.00 0.00 175.10 174.79 3dya s TYR 532 N 1.15 2.97 -0.04 5.22 5.04 -0.71 -0.42 117.35 130.55 3dya s TYR 532 Ca -0.07 -0.03 0.02 0.00 -2.44 0.00 0.00 57.07 54.55 3dya s TYR 532 Cb -0.14 -1.76 0.01 0.00 0.35 0.00 0.00 41.96 40.42 3dya s TYR 532 CO -0.01 0.27 -0.08 -1.17 -1.34 0.00 0.00 175.55 173.22 3dya s LEU 533 N -0.60 1.57 0.08 6.97 2.96 -1.26 -1.03 118.68 127.37 3dya s LEU 533 Ca 0.09 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3dya s LEU 533 Cb -0.12 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 3dya s LEU 533 CO 0.02 0.01 -0.09 0.00 -1.32 0.00 0.00 176.35 174.96 3dya s ALA 534 N 0.61 0.99 0.02 5.97 0.00 -0.28 -4.97 121.76 124.09 3dya s ALA 534 Ca -0.10 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.83 3dya s ALA 534 Cb -0.13 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3dya s ALA 534 CO 0.01 -0.04 -0.22 -0.46 0.00 0.00 0.00 175.76 175.05 3dya s TRP 535 N -2.28 2.46 0.08 0.00 -0.00 -1.26 -1.39 118.94 116.55 3dya s TRP 535 Ca 0.02 -0.33 0.03 0.00 -0.00 0.00 0.00 56.10 55.83 3dya s TRP 535 Cb -0.04 -1.47 -0.03 0.00 -0.00 0.00 0.00 33.47 31.93 3dya s TRP 535 CO -0.00 0.15 -0.10 0.14 -0.00 0.00 0.00 176.95 177.14 3dya s VAL 536 N -0.81 0.85 0.18 5.86 -7.23 -0.21 -4.94 120.40 114.10 3dya s VAL 536 Ca 0.12 -1.47 -0.31 0.00 -1.81 0.00 0.00 61.98 58.52 3dya s VAL 536 Cb -0.10 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.59 3dya s VAL 536 CO 0.02 -0.48 1.50 -2.16 -0.31 0.00 0.00 175.10 173.67 3dya s PRO 537 N -2.40 4.25 0.66 4.82 0.04 -1.26 -4.21 135.00 136.90 3dya s PRO 537 Ca 0.01 2.29 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 3dya s PRO 537 Cb -0.05 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 3dya s PRO 537 CO 0.00 -0.53 1.06 0.00 0.04 0.00 0.00 177.00 177.57 3dya s ALA 538 N 0.83 2.70 -0.28 8.56 0.00 -1.26 -3.97 121.76 128.34 3dya s ALA 538 Ca 0.66 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3dya s ALA 538 Cb -0.42 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3dya s ALA 538 CO 0.34 -1.08 0.00 0.72 0.00 0.00 0.00 175.76 175.74 3dya n HIS 539 N -2.76 0.00 -0.12 0.00 8.25 -1.26 -4.79 115.22 114.55 3dya n HIS 539 Ca 0.08 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.64 3dya n HIS 539 Cb 0.53 -2.02 0.29 0.00 1.12 0.00 0.00 29.99 29.92 3dya n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dya n LYS 540 N 0.22 2.70 -2.35 -0.41 4.01 -1.25 -4.95 118.16 116.12 3dya n LYS 540 Ca -0.03 -2.36 -0.12 0.00 -0.51 0.00 0.00 58.31 55.29 3dya n LYS 540 Cb 0.48 -1.57 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 3dya n LYS 540 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3dya n GLY 541 N 1.42 -0.06 3.69 0.72 0.00 -1.26 -4.98 105.19 104.72 3dya n GLY 541 Ca 0.22 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3dya n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dya s ILE 542 N -2.66 4.57 0.22 -0.61 1.01 -1.26 -4.86 121.20 117.62 3dya s ILE 542 Ca 0.05 1.86 -0.28 0.00 0.00 0.00 0.00 60.65 62.29 3dya s ILE 542 Cb -0.02 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 38.09 3dya s ILE 542 CO 0.06 -0.00 0.60 0.61 0.00 0.00 0.00 174.94 176.21 3dya n GLY 543 N 3.21 -1.50 3.84 6.18 0.00 -1.26 -0.99 105.19 114.67 3dya n GLY 543 Ca 0.10 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3dya n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dya n GLY 544 N 1.86 1.80 0.32 -0.02 0.00 -1.26 -4.53 105.19 103.36 3dya n GLY 544 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3dya n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3dya h ASN 545 N 0.00 0.89 -1.01 1.61 -0.73 -1.74 -2.12 115.58 112.47 3dya h ASN 545 Ca 0.00 -0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.22 3dya h ASN 545 Cb 0.00 -0.20 -0.07 0.00 0.27 0.00 0.00 38.32 38.33 3dya h ASN 545 CO 0.00 0.61 0.65 -0.08 -0.37 0.00 0.00 177.43 178.25 3dya h GLU 546 N 1.04 1.17 -0.05 6.67 4.81 -1.30 -2.46 114.58 124.46 3dya h GLU 546 Ca 0.33 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3dya h GLU 546 Cb -0.00 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.11 3dya h GLU 546 CO -0.11 0.78 -0.10 1.96 -0.73 0.00 0.00 179.01 180.80 3dya h GLN 547 N 1.21 0.16 -0.53 1.92 1.08 -1.67 -2.97 115.11 114.30 3dya h GLN 547 Ca 0.43 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.44 3dya h GLN 547 Cb 0.12 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3dya h GLN 547 CO -0.16 0.68 -0.00 0.28 -0.95 0.00 0.00 178.83 178.68 3dya h VAL 548 N -0.34 1.25 -1.00 -0.54 2.07 -1.42 -2.04 116.25 114.24 3dya h VAL 548 Ca 0.00 -1.07 0.18 0.00 0.82 0.00 0.00 66.70 66.62 3dya h VAL 548 Cb 0.67 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 31.19 3dya h VAL 548 CO 0.02 0.38 0.62 -0.78 0.02 0.00 0.00 177.57 177.83 3dya h ASP 549 N 0.84 0.80 0.43 0.57 1.82 -1.50 -0.34 116.42 119.04 3dya h ASP 549 Ca 0.16 0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.86 3dya h ASP 549 Cb 0.50 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.45 3dya h ASP 549 CO 0.02 0.32 -0.21 0.11 -1.61 0.00 0.00 179.24 177.88 3dya h LYS 550 N 0.80 -0.55 -0.02 0.28 1.57 -1.20 -0.67 116.57 116.76 3dya h LYS 550 Ca 0.55 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.38 3dya h LYS 550 Cb 0.82 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 3dya h LYS 550 CO -0.34 -0.37 0.02 1.37 -0.57 0.00 0.00 179.45 179.56 3dya h LEU 551 N -0.60 0.00 0.26 2.94 -0.00 -1.42 -2.67 115.31 113.82 3dya h LEU 551 Ca -0.06 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.48 3dya h LEU 551 Cb 0.44 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.14 3dya h LEU 551 CO 0.10 0.00 -1.48 0.58 -0.00 0.00 0.00 178.44 177.63 3dya h VAL 552 N 0.00 1.28 -0.05 0.15 2.07 -1.05 -3.32 116.25 115.33 3dya h VAL 552 Ca 0.01 -2.71 -0.10 0.00 0.82 0.00 0.00 66.70 64.72 3dya h VAL 552 Cb 0.06 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 3dya h VAL 552 CO -0.00 0.81 -0.42 0.28 0.02 0.00 0.00 177.57 178.26 3dya h SER 553 N 0.15 0.12 -1.04 0.57 0.02 -0.80 -3.43 113.55 109.14 3dya h SER 553 Ca -0.26 -0.05 -0.57 0.00 -0.84 0.00 0.00 61.79 60.07 3dya h SER 553 Cb 2.17 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.66 3dya h SER 553 CO 0.28 0.53 1.56 0.00 -1.14 0.00 0.00 176.83 178.05 3dya n ALA 554 N -2.47 0.85 0.00 3.77 0.00 -1.03 -5.09 120.51 116.54 3dya n ALA 554 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3dya n ALA 554 Cb 0.47 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.22 3dya n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91