#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kk2 s ILE 2 N 0.00 3.62 0.14 4.25 1.01 -1.26 -4.58 121.20 124.38 3kk2 s ILE 2 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 60.65 59.85 3kk2 s ILE 2 Cb 0.00 -2.58 -0.15 0.00 0.01 0.00 0.00 42.46 39.74 3kk2 s ILE 2 CO 0.00 0.49 1.48 -0.24 0.00 0.00 0.00 174.94 176.67 3kk2 n SER 3 N 3.68 2.54 0.00 3.58 2.88 0.33 -4.68 113.62 121.95 3kk2 n SER 3 Ca -0.18 1.10 0.06 0.00 -1.33 0.00 0.00 58.87 58.52 3kk2 n SER 3 Cb 0.52 -1.34 0.34 0.00 -0.75 0.00 0.00 64.21 62.99 3kk2 n SER 3 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3kk2 n PRO 4 N 3.00 0.80 -1.52 -1.46 -0.04 -1.26 -4.52 135.00 130.00 3kk2 n PRO 4 Ca 0.17 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.28 3kk2 n PRO 4 Cb 0.25 -1.23 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 3kk2 n PRO 4 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3kk2 s ILE 5 N -2.00 2.31 0.47 0.52 2.07 -1.26 -5.00 121.20 118.32 3kk2 s ILE 5 Ca 0.17 0.16 -0.20 0.00 -1.41 0.00 0.00 60.65 59.38 3kk2 s ILE 5 Cb 0.08 -2.80 -0.09 0.00 0.13 0.00 0.00 42.46 39.78 3kk2 s ILE 5 CO 0.13 -0.07 0.99 -1.83 -1.91 0.00 0.00 174.94 172.25 3kk2 s GLU 6 N -3.80 3.99 0.65 3.50 -1.05 -1.26 -4.81 118.70 115.92 3kk2 s GLU 6 Ca 0.75 1.16 -0.12 0.00 -0.15 0.00 0.00 54.97 56.62 3kk2 s GLU 6 Cb -0.30 -2.14 -0.01 0.00 -0.44 0.00 0.00 34.13 31.24 3kk2 s GLU 6 CO 0.43 -0.25 1.05 0.95 0.95 0.00 0.00 175.26 178.40 3kk2 s THR 7 N -2.23 4.12 -0.34 1.83 -4.23 -1.26 -4.99 115.64 108.54 3kk2 s THR 7 Ca 0.63 0.76 -0.16 0.00 -1.18 0.00 0.00 61.69 61.75 3kk2 s THR 7 Cb -0.12 -3.48 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 3kk2 s THR 7 CO 0.20 -0.83 0.39 -0.69 -0.54 0.00 0.00 174.62 173.15 3kk2 s VAL 8 N -2.93 5.14 -0.05 2.29 1.01 -1.26 -4.97 120.40 119.64 3kk2 s VAL 8 Ca 0.59 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 3kk2 s VAL 8 Cb -0.14 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 3kk2 s VAL 8 CO 0.50 -0.10 1.80 -2.16 0.00 0.00 0.00 175.10 175.14 3kk2 s PRO 9 N 2.08 4.06 0.17 2.72 0.04 -1.26 -4.49 135.00 138.32 3kk2 s PRO 9 Ca 0.13 2.27 0.10 0.00 0.04 0.00 0.00 61.00 63.54 3kk2 s PRO 9 Cb -0.16 -4.08 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 3kk2 s PRO 9 CO 0.12 -1.02 -0.15 0.14 0.04 0.00 0.00 177.00 176.13 3kk2 s VAL 10 N 4.60 2.91 0.16 -0.36 -7.23 -1.26 -5.13 120.40 114.09 3kk2 s VAL 10 Ca 0.80 -1.73 0.08 0.00 -1.81 0.00 0.00 61.98 59.33 3kk2 s VAL 10 Cb -0.36 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 3kk2 s VAL 10 CO 0.34 -0.07 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.34 3kk2 s LYS 11 N -2.66 1.26 0.68 4.82 1.02 -1.26 -4.80 119.74 118.80 3kk2 s LYS 11 Ca 0.23 -1.41 -0.13 0.00 0.02 0.00 0.00 55.97 54.68 3kk2 s LYS 11 Cb -0.09 -1.28 0.01 0.00 -0.52 0.00 0.00 37.83 35.95 3kk2 s LYS 11 CO 0.13 0.26 1.08 -0.51 -0.92 0.00 0.00 175.35 175.38 3kk2 s LEU 12 N -2.70 3.24 0.40 3.17 1.43 -1.26 -1.77 118.68 121.20 3kk2 s LEU 12 Ca 0.16 1.79 -0.26 0.00 -1.03 0.00 0.00 54.13 54.79 3kk2 s LEU 12 Cb -0.05 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.56 3kk2 s LEU 12 CO 0.06 -1.56 1.26 -0.54 0.23 0.00 0.00 176.35 175.80 3kk2 s LYS 13 N -4.59 3.99 0.08 1.70 1.02 0.97 -4.53 119.74 118.38 3kk2 s LYS 13 Ca 0.62 2.05 -0.35 0.00 0.02 0.00 0.00 55.97 58.31 3kk2 s LYS 13 Cb -0.16 -2.73 -0.15 0.00 -0.52 0.00 0.00 37.83 34.26 3kk2 s LYS 13 CO 0.48 -0.44 1.52 -2.30 -0.92 0.00 0.00 175.35 173.69 3kk2 n PRO 14 N 0.12 1.69 -0.76 -1.68 -0.02 -1.26 -1.48 135.00 131.60 3kk2 n PRO 14 Ca 0.04 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3kk2 n PRO 14 Cb 0.44 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3kk2 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kk2 n GLY 15 N 3.19 0.87 3.85 -1.23 0.00 -1.26 -5.03 105.19 105.58 3kk2 n GLY 15 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3kk2 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kk2 s MET 16 N -0.24 3.15 0.19 1.61 -1.94 -0.55 -5.12 119.30 116.40 3kk2 s MET 16 Ca 0.00 -0.58 0.10 0.00 -1.71 0.00 0.00 55.69 53.50 3kk2 s MET 16 Cb 0.00 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.93 3kk2 s MET 16 CO 0.00 0.58 -0.22 0.34 -0.01 0.00 0.00 175.02 175.71 3kk2 s ASP 17 N -2.50 3.18 0.99 3.03 3.68 -1.26 -4.82 116.67 118.97 3kk2 s ASP 17 Ca 0.32 -0.87 -0.11 0.00 2.13 0.00 0.00 52.55 54.02 3kk2 s ASP 17 Cb -0.12 -0.22 0.19 0.00 -1.45 0.00 0.00 42.92 41.31 3kk2 s ASP 17 CO 0.25 0.06 1.11 -0.83 0.13 0.00 0.00 175.17 175.89 3kk2 s GLY 18 N -2.72 1.65 0.48 2.66 0.00 -1.26 -4.93 107.32 103.20 3kk2 s GLY 18 Ca 0.19 0.40 -0.22 0.00 0.00 0.00 0.00 44.72 45.09 3kk2 s GLY 18 CO 0.09 0.90 1.13 2.56 0.00 0.00 0.00 173.10 177.78 3kk2 s PRO 19 N -4.59 3.68 -0.41 2.90 0.04 -1.26 -4.93 135.00 130.43 3kk2 s PRO 19 Ca 0.67 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.40 3kk2 s PRO 19 Cb -0.24 -2.27 0.12 0.00 0.04 0.00 0.00 34.50 32.15 3kk2 s PRO 19 CO 0.60 -0.59 0.16 0.15 0.04 0.00 0.00 177.00 177.36 3kk2 s LYS 20 N -2.90 1.39 -0.03 4.56 1.02 -1.25 -1.17 119.74 121.36 3kk2 s LYS 20 Ca 0.66 -1.93 0.01 0.00 0.02 0.00 0.00 55.97 54.73 3kk2 s LYS 20 Cb -0.25 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.33 3kk2 s LYS 20 CO 0.30 -1.05 -0.03 0.08 -0.92 0.00 0.00 175.35 173.73 3kk2 s VAL 21 N 0.60 0.41 0.32 3.17 1.01 0.53 -4.90 120.40 121.55 3kk2 s VAL 21 Ca 0.14 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 3kk2 s VAL 21 Cb -0.22 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.62 3kk2 s VAL 21 CO -0.07 0.18 1.24 -0.75 0.00 0.00 0.00 175.10 175.71 3kk2 s LYS 22 N 0.79 4.40 0.22 2.72 2.20 -1.26 -3.75 119.74 125.06 3kk2 s LYS 22 Ca -0.10 2.09 -0.31 0.00 -0.36 0.00 0.00 55.97 57.29 3kk2 s LYS 22 Cb -0.13 -3.07 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 3kk2 s LYS 22 CO -0.00 -0.10 1.53 -1.14 -0.36 0.00 0.00 175.35 175.27 3kk2 s GLN 23 N -1.75 4.22 0.56 4.03 2.00 -1.26 -4.59 119.66 122.87 3kk2 s GLN 23 Ca 0.48 2.38 -0.07 0.00 -2.00 0.00 0.00 55.36 56.15 3kk2 s GLN 23 Cb -0.37 -3.11 -0.02 0.00 0.80 0.00 0.00 33.01 30.31 3kk2 s GLN 23 CO 0.49 -0.54 0.88 1.67 -0.50 0.00 0.00 175.29 177.29 3kk2 s TRP 24 N 0.51 3.44 0.16 1.67 -2.14 -1.26 -5.01 118.94 116.31 3kk2 s TRP 24 Ca 0.65 0.83 -0.31 0.00 2.66 0.00 0.00 56.10 59.93 3kk2 s TRP 24 Cb -0.44 -2.58 -0.09 0.00 -3.10 0.00 0.00 33.47 27.26 3kk2 s TRP 24 CO 0.39 -0.60 1.49 -1.25 -2.66 0.00 0.00 176.95 174.32 3kk2 s PRO 25 N -4.94 4.26 -0.01 3.25 0.04 -1.26 -4.96 135.00 131.38 3kk2 s PRO 25 Ca 0.52 2.26 -0.02 0.00 0.04 0.00 0.00 61.00 63.80 3kk2 s PRO 25 Cb -0.11 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 3kk2 s PRO 25 CO 0.47 -0.52 0.14 -0.51 0.04 0.00 0.00 177.00 176.61 3kk2 s LEU 26 N 0.91 4.19 0.99 -3.56 2.01 -1.26 -5.10 118.68 116.85 3kk2 s LEU 26 Ca 0.67 0.27 -0.16 0.00 0.01 0.00 0.00 54.13 54.92 3kk2 s LEU 26 Cb -0.41 -2.48 -0.09 0.00 0.01 0.00 0.00 46.19 43.21 3kk2 s LEU 26 CO 0.33 0.27 -0.46 0.41 1.01 0.00 0.00 176.35 177.91 3kk2 n THR 27 N 1.04 0.00 -0.02 5.49 -1.04 -1.26 -4.84 114.28 113.65 3kk2 n THR 27 Ca -0.12 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.05 61.36 3kk2 n THR 27 Cb 0.53 -0.19 -0.10 0.00 -1.82 0.00 0.00 70.33 68.75 3kk2 n THR 27 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3kk2 h GLU 28 N -1.17 0.02 -0.74 -2.82 4.57 -1.99 -2.80 114.58 109.64 3kk2 h GLU 28 Ca -0.44 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 57.90 3kk2 h GLU 28 Cb 1.30 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.76 3kk2 h GLU 28 CO 0.26 0.57 0.07 1.49 -1.18 0.00 0.00 179.01 180.22 3kk2 h GLU 29 N -0.52 0.15 -0.03 1.92 4.81 -2.00 0.53 114.58 119.43 3kk2 h GLU 29 Ca 0.00 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 3kk2 h GLU 29 Cb 0.56 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3kk2 h GLU 29 CO 0.00 0.10 -0.55 0.87 -0.73 0.00 0.00 179.01 178.70 3kk2 h LYS 30 N 0.15 0.10 -0.29 1.92 1.57 -1.92 -2.39 116.57 115.72 3kk2 h LYS 30 Ca 0.41 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.97 3kk2 h LYS 30 Cb 0.73 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3kk2 h LYS 30 CO -0.61 0.63 -0.46 0.82 -0.57 0.00 0.00 179.45 179.26 3kk2 h ILE 31 N 0.08 1.29 -0.47 1.86 2.04 -0.66 -1.05 117.51 120.60 3kk2 h ILE 31 Ca -0.00 -1.65 -0.07 0.00 1.00 0.00 0.00 64.86 64.13 3kk2 h ILE 31 Cb 1.00 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3kk2 h ILE 31 CO 0.08 0.54 -0.00 0.50 0.00 0.00 0.00 178.15 179.26 3kk2 h LYS 32 N 0.61 0.77 -0.38 2.37 1.63 -1.04 -1.43 116.57 119.09 3kk2 h LYS 32 Ca 0.03 -0.21 -0.09 0.00 -0.85 0.00 0.00 60.65 59.54 3kk2 h LYS 32 Cb 1.03 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 3kk2 h LYS 32 CO 0.10 0.78 -0.15 0.00 -3.45 0.00 0.00 179.45 176.73 3kk2 h ALA 33 N 1.28 1.03 -0.11 5.00 0.00 -1.20 -2.45 119.26 122.80 3kk2 h ALA 33 Ca 0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3kk2 h ALA 33 Cb 0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kk2 h ALA 33 CO 0.02 0.59 -0.10 -0.07 0.00 0.00 0.00 179.25 179.69 3kk2 h LEU 34 N 0.63 0.28 -0.74 0.00 3.38 -0.39 -0.57 115.31 117.89 3kk2 h LEU 34 Ca 0.10 -0.47 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 3kk2 h LEU 34 Cb 0.61 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3kk2 h LEU 34 CO 0.04 0.69 -0.52 -0.37 0.09 0.00 0.00 178.44 178.37 3kk2 h VAL 35 N -0.13 1.35 0.03 1.22 -1.51 -1.33 1.31 116.25 117.20 3kk2 h VAL 35 Ca 0.02 -1.78 0.01 0.00 -1.23 0.00 0.00 66.70 63.72 3kk2 h VAL 35 Cb 0.60 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.58 3kk2 h VAL 35 CO 0.02 0.53 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.70 3kk2 h GLU 36 N 0.23 -0.20 -0.58 5.19 4.57 -1.37 0.80 114.58 123.21 3kk2 h GLU 36 Ca 0.01 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3kk2 h GLU 36 Cb 0.99 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 3kk2 h GLU 36 CO 0.08 -0.14 0.17 0.82 -1.18 0.00 0.00 179.01 178.77 3kk2 h ILE 37 N -0.21 1.24 0.00 2.32 2.04 -0.74 -3.19 117.51 118.97 3kk2 h ILE 37 Ca 0.03 -0.84 -0.12 0.00 1.00 0.00 0.00 64.86 64.93 3kk2 h ILE 37 Cb 0.24 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3kk2 h ILE 37 CO -0.09 0.31 -0.57 0.00 0.00 0.00 0.00 178.15 177.81 3kk2 h THR 39 N 0.00 1.24 -0.07 0.00 1.35 -0.92 -0.97 112.91 113.55 3kk2 h THR 39 Ca -0.01 -2.94 -0.22 0.00 -0.55 0.00 0.00 66.41 62.69 3kk2 h THR 39 Cb 1.04 2.59 0.01 0.00 -1.73 0.00 0.00 68.15 70.07 3kk2 h THR 39 CO 0.07 0.71 -0.83 -0.08 -0.25 0.00 0.00 175.52 175.14 3kk2 h GLU 40 N 0.00 0.68 -0.57 4.72 4.57 -1.53 -1.29 114.58 121.16 3kk2 h GLU 40 Ca -0.11 -0.64 0.00 0.00 -1.18 0.00 0.00 59.36 57.43 3kk2 h GLU 40 Cb 1.78 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 30.51 3kk2 h GLU 40 CO 0.10 1.24 0.37 0.52 -1.18 0.00 0.00 179.01 180.06 3kk2 h MET 41 N 0.35 0.76 -0.59 1.92 2.86 -1.34 -2.60 114.93 116.29 3kk2 h MET 41 Ca -0.08 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 3kk2 h MET 41 Cb 1.48 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 3kk2 h MET 41 CO 0.17 0.52 0.11 1.49 1.06 0.00 0.00 176.91 180.25 3kk2 h GLU 42 N 0.77 0.95 -0.06 1.72 4.22 -1.12 -0.95 114.58 120.11 3kk2 h GLU 42 Ca 0.21 -0.23 0.02 0.00 0.08 0.00 0.00 59.36 59.44 3kk2 h GLU 42 Cb -0.06 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3kk2 h GLU 42 CO -0.04 0.87 0.05 0.87 -2.18 0.00 0.00 179.01 178.57 3kk2 h LYS 43 N 0.90 0.00 -0.03 1.92 1.57 -0.92 -1.69 116.57 118.32 3kk2 h LYS 43 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3kk2 h LYS 43 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3kk2 h LYS 43 CO 0.01 0.00 -0.01 0.39 -0.57 0.00 0.00 179.45 179.27 3kk2 n GLU 44 N -4.41 2.16 -1.09 3.15 1.02 -0.47 -4.94 120.64 116.07 3kk2 n GLU 44 Ca -0.01 -1.70 -0.00 0.00 -0.02 0.00 0.00 57.16 55.42 3kk2 n GLU 44 Cb 0.15 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3kk2 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kk2 n GLY 45 N 1.31 0.41 0.09 0.62 0.00 -0.64 -4.89 105.19 102.09 3kk2 n GLY 45 Ca 0.15 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 3kk2 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kk2 h LYS 46 N 0.00 0.00 -5.19 1.61 1.57 -1.50 -3.44 116.57 109.62 3kk2 h LYS 46 Ca -0.01 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.39 3kk2 h LYS 46 Cb 0.11 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.22 3kk2 h LYS 46 CO 0.01 0.64 -0.76 0.96 -0.57 0.00 0.00 179.45 179.74 3kk2 s ILE 47 N -2.77 1.07 -0.00 1.86 -4.36 -1.24 0.02 121.20 115.78 3kk2 s ILE 47 Ca -0.01 -1.48 0.01 0.00 -0.26 0.00 0.00 60.65 58.91 3kk2 s ILE 47 Cb 0.09 -1.22 -0.00 0.00 1.25 0.00 0.00 42.46 42.57 3kk2 s ILE 47 CO 0.81 -0.38 -0.02 -0.94 0.24 0.00 0.00 174.94 174.64 3kk2 s SER 48 N -2.10 0.29 0.37 4.36 1.04 -0.77 -4.18 113.70 112.71 3kk2 s SER 48 Ca 0.02 -0.04 -0.27 0.00 0.48 0.00 0.00 55.95 56.13 3kk2 s SER 48 Cb -0.07 -0.04 -0.11 0.00 0.10 0.00 0.00 66.02 65.90 3kk2 s SER 48 CO 0.02 0.03 1.37 0.29 0.98 0.00 0.00 173.24 175.92 3kk2 n LYS 49 N 3.06 2.32 -4.39 4.02 5.02 -1.26 -1.88 118.16 125.05 3kk2 n LYS 49 Ca -0.13 0.82 -0.25 0.00 -2.02 0.00 0.00 58.31 56.72 3kk2 n LYS 49 Cb 0.59 -2.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.02 3kk2 n LYS 49 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3kk2 s ILE 50 N -1.12 2.41 0.00 -0.18 -4.36 -0.34 -4.86 121.20 112.75 3kk2 s ILE 50 Ca 0.56 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3kk2 s ILE 50 Cb -0.52 -2.82 0.00 0.00 1.25 0.00 0.00 42.46 40.37 3kk2 s ILE 50 CO 0.62 -0.14 0.00 0.61 0.24 0.00 0.00 174.94 176.27 3kk2 n GLY 51 N -0.96 6.70 0.00 6.27 0.00 -1.26 -4.74 105.19 111.20 3kk2 n GLY 51 Ca -0.04 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 44.13 3kk2 n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kk2 n PRO 52 N 0.00 0.46 -0.06 1.61 -0.04 -1.26 -1.46 135.00 134.24 3kk2 n PRO 52 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 3kk2 n PRO 52 Cb 0.00 -1.30 0.12 0.00 -0.04 0.00 0.00 33.50 32.28 3kk2 n PRO 52 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kk2 h GLU 53 N 0.00 0.70 -5.57 0.54 3.07 -2.04 -3.41 114.58 107.87 3kk2 h GLU 53 Ca 0.00 -0.28 -0.63 0.00 -0.50 0.00 0.00 59.36 57.96 3kk2 h GLU 53 Cb 0.00 -0.04 -0.14 0.00 -0.84 0.00 0.00 28.75 27.74 3kk2 h GLU 53 CO 0.00 0.87 0.51 1.21 -1.40 0.00 0.00 179.01 180.20 3kk2 s ASN 54 N -6.76 6.24 0.13 1.42 3.04 -0.54 -4.87 114.94 113.60 3kk2 s ASN 54 Ca -0.09 -0.72 0.24 0.00 0.04 0.00 0.00 52.86 52.33 3kk2 s ASN 54 Cb 0.13 -2.41 0.92 0.00 -1.54 0.00 0.00 41.25 38.34 3kk2 s ASN 54 CO 0.82 -1.31 1.73 -0.81 -3.04 0.00 0.00 177.10 174.50 3kk2 n PRO 55 N 7.48 0.13 -2.99 0.43 -0.04 -1.26 -4.91 135.00 133.83 3kk2 n PRO 55 Ca -0.02 0.23 -0.25 0.00 -0.04 0.00 0.00 63.50 63.42 3kk2 n PRO 55 Cb 0.46 -1.69 -0.00 0.00 -0.04 0.00 0.00 33.50 32.23 3kk2 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kk2 s TYR 56 N -3.11 3.46 -0.18 0.54 2.02 -1.26 -4.80 117.35 114.02 3kk2 s TYR 56 Ca 0.09 0.51 -0.29 0.00 -0.37 0.00 0.00 57.07 57.01 3kk2 s TYR 56 Cb 0.12 -2.16 0.12 0.00 -0.40 0.00 0.00 41.96 39.65 3kk2 s TYR 56 CO 0.46 -0.16 1.00 1.21 -1.57 0.00 0.00 175.55 176.49 3kk2 s ASN 57 N -4.11 -0.39 -0.04 2.29 2.47 -0.31 -4.68 114.94 110.16 3kk2 s ASN 57 Ca 0.45 0.51 -0.05 0.00 0.42 0.00 0.00 52.86 54.18 3kk2 s ASN 57 Cb -0.10 0.43 0.01 0.00 -1.45 0.00 0.00 41.25 40.14 3kk2 s ASN 57 CO 0.40 -0.31 0.14 -0.89 -3.72 0.00 0.00 177.10 172.72 3kk2 s THR 58 N -0.83 0.02 0.51 -5.21 2.01 -0.67 -0.34 115.64 111.13 3kk2 s THR 58 Ca -0.01 -0.15 -0.20 0.00 0.31 0.00 0.00 61.69 61.64 3kk2 s THR 58 Cb -0.01 -0.25 -0.07 0.00 0.01 0.00 0.00 72.50 72.18 3kk2 s THR 58 CO 0.00 -0.08 1.12 -2.84 -0.69 0.00 0.00 174.62 172.13 3kk2 s PRO 59 N -0.23 3.54 0.04 4.92 0.02 -1.26 -4.50 135.00 137.53 3kk2 s PRO 59 Ca -0.03 1.61 0.03 0.00 0.02 0.00 0.00 61.00 62.63 3kk2 s PRO 59 Cb -0.02 -2.12 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 3kk2 s PRO 59 CO 0.00 -0.70 -0.10 0.14 -0.33 0.00 0.00 177.00 176.02 3kk2 s VAL 60 N -1.75 0.72 0.24 3.83 -7.23 -1.26 -1.33 120.40 113.62 3kk2 s VAL 60 Ca 0.69 -0.94 -0.01 0.00 -1.81 0.00 0.00 61.98 59.92 3kk2 s VAL 60 Cb -0.24 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.00 3kk2 s VAL 60 CO 0.27 -0.18 0.33 2.22 -0.31 0.00 0.00 175.10 177.43 3kk2 n PHE 61 N 1.81 -1.09 -3.96 2.82 -1.74 -1.17 -4.93 117.46 109.20 3kk2 n PHE 61 Ca -0.20 -1.64 -0.09 0.00 -0.56 0.00 0.00 57.45 54.97 3kk2 n PHE 61 Cb 0.55 0.37 -0.10 0.00 1.52 0.00 0.00 39.48 41.82 3kk2 n PHE 61 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3kk2 s ALA 62 N -2.44 0.06 0.06 1.98 0.00 -1.26 0.18 121.76 120.34 3kk2 s ALA 62 Ca 0.20 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 3kk2 s ALA 62 Cb -0.01 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 3kk2 s ALA 62 CO 0.15 -0.31 0.02 0.96 0.00 0.00 0.00 175.76 176.57 3kk2 s ILE 63 N -2.74 0.20 0.54 0.00 -4.36 -0.63 -4.93 121.20 109.28 3kk2 s ILE 63 Ca -0.04 -1.62 -0.17 0.00 -0.26 0.00 0.00 60.65 58.56 3kk2 s ILE 63 Cb -0.00 -1.42 -0.06 0.00 1.25 0.00 0.00 42.46 42.22 3kk2 s ILE 63 CO -0.05 -0.90 1.02 -0.54 0.24 0.00 0.00 174.94 174.71 3kk2 s LYS 64 N -3.77 3.68 0.32 0.37 1.02 -1.26 0.13 119.74 120.22 3kk2 s LYS 64 Ca 0.05 1.14 -0.03 0.00 0.02 0.00 0.00 55.97 57.16 3kk2 s LYS 64 Cb 0.06 -2.09 0.07 0.00 -0.52 0.00 0.00 37.83 35.35 3kk2 s LYS 64 CO -0.10 -0.51 0.43 1.63 -0.92 0.00 0.00 175.35 175.89 3kk2 n LYS 65 N -1.60 -0.01 -0.29 1.68 5.02 -0.38 -4.74 118.16 117.84 3kk2 n LYS 65 Ca 0.08 -0.93 0.01 0.00 -2.02 0.00 0.00 58.31 55.45 3kk2 n LYS 65 Cb 0.53 -0.37 0.21 0.00 -0.02 0.00 0.00 35.03 35.38 3kk2 n LYS 65 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3kk2 h LYS 66 N 0.00 1.08 0.00 1.97 1.63 -1.97 0.17 116.57 119.45 3kk2 h LYS 66 Ca -0.14 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 3kk2 h LYS 66 Cb 0.46 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3kk2 h LYS 66 CO 0.13 0.72 0.00 -0.40 -3.45 0.00 0.00 179.45 176.44 3kk2 n ASP 67 N -4.43 0.00 0.00 4.20 3.85 -1.26 -4.87 116.55 114.04 3kk2 n ASP 67 Ca 0.11 -0.47 0.00 0.00 -0.71 0.00 0.00 54.79 53.72 3kk2 n ASP 67 Cb 0.08 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 3kk2 n ASP 67 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 3kk2 n SER 68 N -1.13 0.00 -0.07 -1.12 2.88 0.59 -4.56 113.62 110.20 3kk2 n SER 68 Ca 0.16 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.55 3kk2 n SER 68 Cb 0.14 -1.49 -0.13 0.00 -0.75 0.00 0.00 64.21 61.98 3kk2 n SER 68 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3kk2 h THR 69 N 0.00 1.69 -4.05 2.46 2.02 -1.89 -3.44 112.91 109.69 3kk2 h THR 69 Ca 0.00 -2.33 -0.50 0.00 0.77 0.00 0.00 66.41 64.35 3kk2 h THR 69 Cb 0.00 3.25 0.04 0.00 -1.74 0.00 0.00 68.15 69.70 3kk2 h THR 69 CO 0.00 0.57 0.30 -0.54 0.37 0.00 0.00 175.52 176.22 3kk2 s LYS 70 N -2.24 3.66 -0.06 6.66 -0.14 -1.26 -4.92 119.74 121.44 3kk2 s LYS 70 Ca -0.20 0.61 0.00 0.00 -1.36 0.00 0.00 55.97 55.02 3kk2 s LYS 70 Cb -0.02 -2.20 -0.03 0.00 -1.68 0.00 0.00 37.83 33.90 3kk2 s LYS 70 CO 0.68 -0.37 -0.04 -1.58 -0.76 0.00 0.00 175.35 173.29 3kk2 s TRP 71 N -2.89 3.03 -0.24 3.18 0.52 -1.26 -1.25 118.94 120.02 3kk2 s TRP 71 Ca 0.53 0.08 -0.09 0.00 0.02 0.00 0.00 56.10 56.65 3kk2 s TRP 71 Cb -0.11 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 3kk2 s TRP 71 CO 0.45 0.40 0.11 0.50 0.02 0.00 0.00 176.95 178.44 3kk2 s ARG 72 N -0.98 3.86 -0.42 4.98 3.52 0.36 -4.87 118.95 125.40 3kk2 s ARG 72 Ca 0.14 -0.38 -0.28 0.00 -0.13 0.00 0.00 55.73 55.08 3kk2 s ARG 72 Cb -0.11 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.88 3kk2 s ARG 72 CO 0.03 -0.06 1.05 0.21 -0.81 0.00 0.00 175.30 175.73 3kk2 s LYS 73 N 1.32 3.80 0.56 5.12 2.20 -1.26 -1.60 119.74 129.88 3kk2 s LYS 73 Ca 0.06 0.63 0.08 0.00 -0.36 0.00 0.00 55.97 56.38 3kk2 s LYS 73 Cb -0.15 -3.85 0.07 0.00 -1.51 0.00 0.00 37.83 32.39 3kk2 s LYS 73 CO 0.05 -1.17 0.65 -0.51 -0.36 0.00 0.00 175.35 174.01 3kk2 s LEU 74 N 3.98 2.97 -0.12 5.43 2.01 0.13 -4.46 118.68 128.62 3kk2 s LEU 74 Ca 0.44 -0.98 -0.06 0.00 0.01 0.00 0.00 54.13 53.53 3kk2 s LEU 74 Cb -0.10 -1.49 0.05 0.00 0.01 0.00 0.00 46.19 44.66 3kk2 s LEU 74 CO 0.25 -1.24 0.29 -0.69 1.01 0.00 0.00 176.35 175.97 3kk2 s VAL 75 N -2.70 -0.06 -1.33 -1.59 1.01 -1.01 -3.04 120.40 111.68 3kk2 s VAL 75 Ca 0.52 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 3kk2 s VAL 75 Cb -0.04 -0.45 0.07 0.00 0.00 0.00 0.00 36.38 35.96 3kk2 s VAL 75 CO 0.32 0.06 1.85 -0.67 0.00 0.00 0.00 175.10 176.66 3kk2 n ASP 76 N 4.29 4.70 -1.16 3.32 2.03 -0.44 -4.37 116.55 124.92 3kk2 n ASP 76 Ca -0.24 -2.91 -0.03 0.00 0.52 0.00 0.00 54.79 52.13 3kk2 n ASP 76 Cb 0.53 -1.71 0.09 0.00 -0.72 0.00 0.00 41.12 39.31 3kk2 n ASP 76 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3kk2 n PHE 77 N 7.57 0.79 -0.25 -0.67 3.72 -1.26 -4.39 117.46 122.97 3kk2 n PHE 77 Ca 0.49 -0.59 0.12 0.00 -0.05 0.00 0.00 57.45 57.42 3kk2 n PHE 77 Cb 0.44 -0.35 0.39 0.00 -0.94 0.00 0.00 39.48 39.02 3kk2 n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kk2 h ARG 78 N 0.72 0.64 -0.10 -1.08 3.08 -1.86 0.60 114.38 116.37 3kk2 h ARG 78 Ca 0.10 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3kk2 h ARG 78 Cb 1.28 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 3kk2 h ARG 78 CO 0.25 0.42 -0.14 1.49 -1.07 0.00 0.00 179.97 180.92 3kk2 h GLU 79 N 0.66 0.27 -0.25 0.04 4.57 -2.00 -2.64 114.58 115.23 3kk2 h GLU 79 Ca 0.43 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.41 3kk2 h GLU 79 Cb 0.72 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 3kk2 h GLU 79 CO -0.19 0.72 -0.02 1.25 -1.18 0.00 0.00 179.01 179.60 3kk2 h LEU 80 N -0.15 0.44 -0.79 1.64 5.85 -1.44 -2.67 115.31 118.19 3kk2 h LEU 80 Ca 0.01 -0.33 0.17 0.00 0.84 0.00 0.00 57.88 58.57 3kk2 h LEU 80 Cb 0.69 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.49 3kk2 h LEU 80 CO 0.03 0.66 0.30 0.78 -0.34 0.00 0.00 178.44 179.87 3kk2 h ASN 81 N 0.21 0.23 -0.15 1.25 2.35 0.05 0.36 115.58 119.88 3kk2 h ASN 81 Ca 0.07 0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 3kk2 h ASN 81 Cb 0.44 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3kk2 h ASN 81 CO 0.02 0.05 0.16 0.50 -1.65 0.00 0.00 177.43 176.50 3kk2 h LYS 82 N 0.39 0.00 -0.18 0.81 3.64 -1.11 -1.86 116.57 118.26 3kk2 h LYS 82 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 3kk2 h LYS 82 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3kk2 h LYS 82 CO -0.46 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.26 3kk2 n ARG 83 N -3.88 1.77 -3.36 1.90 1.74 0.11 -4.99 116.66 109.96 3kk2 n ARG 83 Ca 0.01 -1.60 -0.35 0.00 -0.77 0.00 0.00 57.85 55.14 3kk2 n ARG 83 Cb 0.28 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 3kk2 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kk2 s THR 84 N -0.93 4.86 0.96 0.55 2.01 -0.14 -0.02 115.64 122.92 3kk2 s THR 84 Ca 0.17 0.80 -0.14 0.00 0.31 0.00 0.00 61.69 62.83 3kk2 s THR 84 Cb 0.10 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 3kk2 s THR 84 CO 0.14 0.22 0.07 0.00 -0.69 0.00 0.00 174.62 174.36 3kk2 n GLN 85 N 0.75 -0.19 -2.27 4.92 10.64 -0.73 -4.56 117.38 125.93 3kk2 n GLN 85 Ca -0.05 -0.03 -0.33 0.00 -1.83 0.00 0.00 57.00 54.77 3kk2 n GLN 85 Cb 0.52 -1.61 -0.01 0.00 -0.86 0.00 0.00 30.24 28.27 3kk2 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3kk2 s ASP 86 N -1.71 6.17 0.13 2.61 -0.00 -1.26 -4.99 116.67 117.62 3kk2 s ASP 86 Ca 0.52 1.77 0.11 0.00 -0.00 0.00 0.00 52.55 54.95 3kk2 s ASP 86 Cb -0.21 -2.53 -0.04 0.00 -0.00 0.00 0.00 42.92 40.14 3kk2 s ASP 86 CO 0.72 -0.90 -0.27 -0.36 -0.00 0.00 0.00 175.17 174.36 3kk2 s PHE 87 N -2.39 2.31 -0.34 4.23 0.40 -1.26 -5.09 117.98 115.84 3kk2 s PHE 87 Ca 0.63 -0.38 -0.26 0.00 -0.60 0.00 0.00 56.93 56.32 3kk2 s PHE 87 Cb -0.14 -1.25 0.01 0.00 0.51 0.00 0.00 43.02 42.15 3kk2 s PHE 87 CO 0.31 0.34 0.94 -0.46 0.70 0.00 0.00 175.22 177.05 3kk2 s TRP 88 N -1.06 3.13 0.60 0.36 -0.11 -1.26 -5.04 118.94 115.57 3kk2 s TRP 88 Ca 0.14 0.92 -0.17 0.00 1.22 0.00 0.00 56.10 58.21 3kk2 s TRP 88 Cb -0.10 -3.56 -0.03 0.00 -1.50 0.00 0.00 33.47 28.28 3kk2 s TRP 88 CO 0.06 -0.74 1.13 -1.21 -4.62 0.00 0.00 176.95 171.57 3kk2 s GLU 89 N 3.41 3.03 0.00 5.86 0.41 -1.26 -4.97 118.70 125.18 3kk2 s GLU 89 Ca 0.39 1.55 0.00 0.00 -0.41 0.00 0.00 54.97 56.50 3kk2 s GLU 89 Cb -0.13 -1.97 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 3kk2 s GLU 89 CO 0.16 -1.10 0.20 1.33 -0.49 0.00 0.00 175.26 175.37 3kk2 n VAL 90 N -1.85 0.00 -2.66 2.63 0.24 -1.26 -4.89 118.33 110.54 3kk2 n VAL 90 Ca 0.11 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.34 61.64 3kk2 n VAL 90 Cb 0.51 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 3kk2 n VAL 90 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3kk2 s GLN 91 N -0.30 3.35 0.00 7.34 2.00 -1.26 -4.87 119.66 125.93 3kk2 s GLN 91 Ca 0.00 -0.10 0.30 0.00 -2.00 0.00 0.00 55.36 53.56 3kk2 s GLN 91 Cb 0.00 -4.09 1.40 0.00 0.80 0.00 0.00 33.01 31.13 3kk2 s GLN 91 CO 0.00 -1.78 1.97 1.28 -0.50 0.00 0.00 175.29 176.26 3kk2 n LEU 92 N 8.41 0.30 0.00 3.68 4.32 -1.26 -4.99 117.00 127.46 3kk2 n LEU 92 Ca 0.04 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 3kk2 n LEU 92 Cb 0.48 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 3kk2 n LEU 92 CO 0.69 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.52 3kk2 n GLY 93 N 1.24 -0.55 3.06 -0.72 0.00 -1.26 -5.13 105.19 101.83 3kk2 n GLY 93 Ca 0.16 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 3kk2 n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk2 s ILE 94 N -2.83 1.88 0.43 -0.61 -1.09 -1.26 -5.09 121.20 112.63 3kk2 s ILE 94 Ca 0.00 -1.00 -0.25 0.00 -2.23 0.00 0.00 60.65 57.16 3kk2 s ILE 94 Cb 0.00 -1.82 -0.09 0.00 -1.58 0.00 0.00 42.46 38.97 3kk2 s ILE 94 CO 0.00 0.35 1.30 -0.81 -1.23 0.00 0.00 174.94 174.55 3kk2 n PRO 95 N 4.64 1.98 -5.23 2.79 -0.04 -1.26 -5.00 135.00 132.87 3kk2 n PRO 95 Ca -0.18 0.70 -0.31 0.00 -0.04 0.00 0.00 63.50 63.68 3kk2 n PRO 95 Cb 0.48 -2.43 -0.16 0.00 -0.04 0.00 0.00 33.50 31.36 3kk2 n PRO 95 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3kk2 s HIS 96 N -1.20 2.38 0.47 0.54 2.46 -1.26 -5.02 115.29 113.66 3kk2 s HIS 96 Ca 0.61 -0.40 0.20 0.00 0.47 0.00 0.00 55.06 55.94 3kk2 s HIS 96 Cb -0.50 -1.51 1.20 0.00 -0.13 0.00 0.00 32.58 31.64 3kk2 s HIS 96 CO 0.58 -0.00 1.95 -1.00 -2.47 0.00 0.00 174.74 173.80 3kk2 h PRO 97 N 5.43 0.23 0.00 2.88 0.13 -1.96 0.45 132.00 139.16 3kk2 h PRO 97 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3kk2 h PRO 97 Cb 1.13 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3kk2 h PRO 97 CO 0.47 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 3kk2 n ALA 98 N -2.58 1.59 0.10 -0.56 0.00 -1.26 -1.80 120.51 116.00 3kk2 n ALA 98 Ca 0.13 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.64 3kk2 n ALA 98 Cb 0.58 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 3kk2 n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kk2 h GLY 99 N 2.20 0.00 -4.10 0.00 0.00 -0.37 -3.35 103.07 97.45 3kk2 h GLY 99 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3kk2 h GLY 99 CO 0.00 0.00 0.73 1.08 0.00 0.00 0.00 176.54 178.35 3kk2 s LEU 100 N -5.41 4.39 0.27 3.11 2.01 -0.74 -4.74 118.68 117.56 3kk2 s LEU 100 Ca -0.01 2.74 0.06 0.00 0.01 0.00 0.00 54.13 56.93 3kk2 s LEU 100 Cb 0.09 -3.64 -0.02 0.00 0.01 0.00 0.00 46.19 42.63 3kk2 s LEU 100 CO 0.79 -0.69 0.39 -1.59 1.01 0.00 0.00 176.35 176.26 3kk2 s LYS 101 N -1.05 3.30 0.27 1.70 0.00 -1.26 -0.42 119.74 122.29 3kk2 s LYS 101 Ca 0.55 -0.86 -0.30 0.00 0.00 0.00 0.00 55.97 55.36 3kk2 s LYS 101 Cb -0.42 -2.85 -0.11 0.00 0.00 0.00 0.00 37.83 34.45 3kk2 s LYS 101 CO 0.49 0.30 1.51 0.15 0.00 0.00 0.00 175.35 177.81 3kk2 s LYS 102 N -4.04 4.20 0.14 1.78 1.02 -1.26 -4.87 119.74 116.72 3kk2 s LYS 102 Ca 0.38 2.43 0.09 0.00 0.02 0.00 0.00 55.97 58.89 3kk2 s LYS 102 Cb -0.09 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 3kk2 s LYS 102 CO 0.29 -0.52 -0.20 0.15 -0.92 0.00 0.00 175.35 174.15 3kk2 s LYS 103 N -0.47 1.24 0.20 1.68 -0.14 -1.26 -5.03 119.74 115.96 3kk2 s LYS 103 Ca 0.61 -1.32 0.04 0.00 -1.36 0.00 0.00 55.97 53.94 3kk2 s LYS 103 Cb -0.45 -1.44 0.12 0.00 -1.68 0.00 0.00 37.83 34.39 3kk2 s LYS 103 CO 0.46 0.31 1.47 -0.22 -0.76 0.00 0.00 175.35 176.61 3kk2 h LYS 104 N 3.61 0.20 -3.99 1.68 1.63 -0.74 -3.45 116.57 115.52 3kk2 h LYS 104 Ca -0.45 -0.18 -0.22 0.00 -0.85 0.00 0.00 60.65 58.96 3kk2 h LYS 104 Cb 1.19 0.04 -0.24 0.00 -0.60 0.00 0.00 32.23 32.62 3kk2 h LYS 104 CO 0.45 0.86 -0.72 -1.12 -3.45 0.00 0.00 179.45 175.47 3kk2 s SER 105 N -6.91 0.26 -0.00 4.20 0.01 -1.01 -4.89 113.70 105.36 3kk2 s SER 105 Ca -0.03 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.93 3kk2 s SER 105 Cb 0.11 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.38 3kk2 s SER 105 CO 0.81 -0.15 -0.01 -0.69 0.41 0.00 0.00 173.24 173.61 3kk2 s VAL 106 N -0.83 0.07 0.03 3.43 1.01 -1.26 -1.96 120.40 120.90 3kk2 s VAL 106 Ca -0.08 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3kk2 s VAL 106 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 3kk2 s VAL 106 CO -0.00 0.03 -0.11 -0.89 0.00 0.00 0.00 175.10 174.12 3kk2 s THR 107 N 0.04 0.85 -0.10 3.92 2.01 0.00 -4.79 115.64 117.57 3kk2 s THR 107 Ca -0.00 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.15 3kk2 s THR 107 Cb -0.01 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.71 3kk2 s THR 107 CO -0.00 -0.06 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.00 3kk2 s VAL 108 N -0.84 1.60 0.10 3.82 1.01 -1.22 -0.71 120.40 124.15 3kk2 s VAL 108 Ca -0.01 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.34 3kk2 s VAL 108 Cb -0.07 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3kk2 s VAL 108 CO 0.01 0.46 -0.25 -0.76 0.00 0.00 0.00 175.10 174.56 3kk2 s LEU 109 N 0.72 2.27 0.07 3.92 1.43 -0.27 -1.29 118.68 125.54 3kk2 s LEU 109 Ca -0.12 -0.68 0.05 0.00 -1.03 0.00 0.00 54.13 52.36 3kk2 s LEU 109 Cb -0.16 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3kk2 s LEU 109 CO 0.03 0.16 -0.15 -0.62 0.23 0.00 0.00 176.35 175.99 3kk2 s ASP 110 N -1.78 1.77 0.00 2.29 3.68 -1.24 -0.88 116.67 120.52 3kk2 s ASP 110 Ca 0.11 -0.59 -0.07 0.00 2.13 0.00 0.00 52.55 54.12 3kk2 s ASP 110 Cb -0.10 -0.07 -0.05 0.00 -1.45 0.00 0.00 42.92 41.25 3kk2 s ASP 110 CO 0.04 -0.04 0.27 -0.69 0.13 0.00 0.00 175.17 174.88 3kk2 s VAL 111 N -1.18 5.29 0.08 1.11 1.01 -1.23 -4.04 120.40 121.44 3kk2 s VAL 111 Ca -0.00 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.87 3kk2 s VAL 111 Cb -0.10 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 3kk2 s VAL 111 CO 0.02 0.38 1.40 -0.83 0.00 0.00 0.00 175.10 176.07 3kk2 s GLY 112 N -1.65 1.95 -1.08 4.51 0.00 0.41 -3.77 107.32 107.69 3kk2 s GLY 112 Ca 0.27 1.04 -0.11 0.00 0.00 0.00 0.00 44.72 45.92 3kk2 s GLY 112 CO 0.15 2.40 0.36 1.22 0.00 0.00 0.00 173.10 177.23 3kk2 n ASP 113 N 4.41 -2.19 -0.03 1.64 8.00 -1.26 -4.69 116.55 122.42 3kk2 n ASP 113 Ca 0.12 -0.39 -0.01 0.00 0.71 0.00 0.00 54.79 55.22 3kk2 n ASP 113 Cb 0.43 -1.90 -0.01 0.00 -0.02 0.00 0.00 41.12 39.62 3kk2 n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kk2 n ALA 114 N -3.35 -0.05 -0.33 2.24 0.00 -1.25 0.11 120.51 117.88 3kk2 n ALA 114 Ca 0.03 0.07 0.17 0.00 0.00 0.00 0.00 53.44 53.71 3kk2 n ALA 114 Cb 0.50 0.14 0.37 0.00 0.00 0.00 0.00 19.45 20.46 3kk2 n ALA 114 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3kk2 h TYR 115 N 0.00 0.87 0.00 0.00 -1.99 -1.87 0.36 116.97 114.33 3kk2 h TYR 115 Ca 0.01 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3kk2 h TYR 115 Cb 0.03 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.53 3kk2 h TYR 115 CO -0.36 -0.02 0.00 1.19 -0.00 0.00 0.00 178.16 178.97 3kk2 n PHE 116 N -4.97 0.00 0.55 4.88 3.72 0.30 -1.65 117.46 120.29 3kk2 n PHE 116 Ca 0.26 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.76 3kk2 n PHE 116 Cb 0.75 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.42 3kk2 n PHE 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3kk2 n SER 117 N -1.00 2.87 -4.36 4.37 7.64 0.13 -4.83 113.62 118.44 3kk2 n SER 117 Ca 0.18 -1.86 -0.33 0.00 1.01 0.00 0.00 58.87 57.86 3kk2 n SER 117 Cb 0.08 -0.10 -0.14 0.00 -1.01 0.00 0.00 64.21 63.04 3kk2 n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kk2 s VAL 118 N -1.49 3.18 0.49 0.44 1.01 -0.66 0.12 120.40 123.50 3kk2 s VAL 118 Ca 0.27 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 3kk2 s VAL 118 Cb 0.18 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 3kk2 s VAL 118 CO 0.25 0.50 1.10 -2.16 0.00 0.00 0.00 175.10 174.80 3kk2 s PRO 119 N 0.64 3.68 0.03 2.72 0.04 -1.26 -1.79 135.00 139.06 3kk2 s PRO 119 Ca -0.06 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 3kk2 s PRO 119 Cb -0.15 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 3kk2 s PRO 119 CO 0.03 -0.57 0.26 -1.17 0.04 0.00 0.00 177.00 175.59 3kk2 s LEU 120 N -3.36 4.35 -0.08 -3.56 2.96 -0.58 -4.64 118.68 113.78 3kk2 s LEU 120 Ca 0.67 0.49 -0.39 0.00 -0.22 0.00 0.00 54.13 54.68 3kk2 s LEU 120 Cb -0.23 -2.80 -0.18 0.00 0.50 0.00 0.00 46.19 43.48 3kk2 s LEU 120 CO 0.27 0.21 1.40 -0.67 -1.32 0.00 0.00 176.35 176.24 3kk2 n ASP 121 N 0.81 1.41 -0.09 3.68 4.64 -1.26 -4.79 116.55 120.94 3kk2 n ASP 121 Ca -0.09 1.13 -0.06 0.00 -1.38 0.00 0.00 54.79 54.39 3kk2 n ASP 121 Cb 0.52 -1.09 0.00 0.00 -1.04 0.00 0.00 41.12 39.52 3kk2 n ASP 121 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 3kk2 h GLU 122 N 4.87 -0.06 0.00 -0.67 4.81 -1.95 -2.43 114.58 119.16 3kk2 h GLU 122 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kk2 h GLU 122 Cb 1.36 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3kk2 h GLU 122 CO 0.81 -0.04 0.00 -0.44 -0.73 0.00 0.00 179.01 178.61 3kk2 h ASP 123 N -0.06 0.00 0.34 1.04 3.45 -1.95 -2.17 116.42 117.07 3kk2 h ASP 123 Ca 0.17 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.63 3kk2 h ASP 123 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3kk2 h ASP 123 CO -0.39 0.00 -1.36 0.33 -1.57 0.00 0.00 179.24 176.26 3kk2 n PHE 124 N -2.95 0.27 -0.33 4.55 7.35 -0.95 -4.45 117.46 120.96 3kk2 n PHE 124 Ca -0.01 0.08 0.23 0.00 -0.76 0.00 0.00 57.45 57.00 3kk2 n PHE 124 Cb 0.20 -0.51 0.51 0.00 0.35 0.00 0.00 39.48 40.03 3kk2 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kk2 h ARG 125 N 0.00 0.37 -0.09 -4.13 3.08 -1.00 -1.53 114.38 111.08 3kk2 h ARG 125 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3kk2 h ARG 125 Cb 0.85 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3kk2 h ARG 125 CO 0.00 0.25 -0.03 1.57 -1.07 0.00 0.00 179.97 180.69 3kk2 h LYS 126 N 0.38 0.12 0.00 0.04 2.10 -1.78 -1.58 116.57 115.85 3kk2 h LYS 126 Ca 0.61 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 3kk2 h LYS 126 Cb 1.55 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.85 3kk2 h LYS 126 CO -0.31 0.16 0.00 0.66 -2.00 0.00 0.00 179.45 177.97 3kk2 n TYR 127 N -4.43 0.09 0.21 0.07 4.01 -0.58 -2.98 117.16 113.56 3kk2 n TYR 127 Ca -0.02 0.03 0.06 0.00 -0.16 0.00 0.00 57.90 57.81 3kk2 n TYR 127 Cb 0.16 -0.55 0.22 0.00 -0.31 0.00 0.00 39.34 38.86 3kk2 n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3kk2 n THR 128 N -1.58 1.14 -1.67 -0.72 -2.24 -0.59 -4.59 114.28 104.03 3kk2 n THR 128 Ca 0.06 -0.73 -0.47 0.00 -2.27 0.00 0.00 64.05 60.64 3kk2 n THR 128 Cb 0.30 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 3kk2 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kk2 n ALA 129 N 0.61 1.09 -3.57 6.98 0.00 -1.16 -4.25 120.51 120.22 3kk2 n ALA 129 Ca 0.16 0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.95 3kk2 n ALA 129 Cb 0.60 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.67 3kk2 n ALA 129 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3kk2 n PHE 130 N 3.97 -0.08 -3.57 0.00 -1.74 -0.73 -1.67 117.46 113.64 3kk2 n PHE 130 Ca 0.18 -0.77 -0.03 0.00 -0.56 0.00 0.00 57.45 56.28 3kk2 n PHE 130 Cb 0.28 0.04 -0.05 0.00 1.52 0.00 0.00 39.48 41.26 3kk2 n PHE 130 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 3kk2 s THR 131 N -2.16 -0.88 -0.47 1.97 -1.32 -1.26 -2.50 115.64 109.02 3kk2 s THR 131 Ca 0.08 0.04 -0.24 0.00 -1.21 0.00 0.00 61.69 60.37 3kk2 s THR 131 Cb 0.00 -0.90 0.03 0.00 -1.51 0.00 0.00 72.50 70.13 3kk2 s THR 131 CO 0.06 0.01 0.83 -0.63 -2.21 0.00 0.00 174.62 172.68 3kk2 s ILE 132 N 2.80 4.58 0.41 5.08 -1.09 0.11 -4.86 121.20 128.22 3kk2 s ILE 132 Ca -0.00 0.41 -0.24 0.00 -2.23 0.00 0.00 60.65 58.59 3kk2 s ILE 132 Cb -0.13 -4.38 -0.08 0.00 -1.58 0.00 0.00 42.46 36.29 3kk2 s ILE 132 CO -0.17 -0.82 1.12 -2.16 -1.23 0.00 0.00 174.94 171.68 3kk2 s PRO 133 N 3.46 4.05 0.55 2.79 0.04 -1.26 -2.23 135.00 142.40 3kk2 s PRO 133 Ca 0.30 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.08 3kk2 s PRO 133 Cb -0.12 -2.59 0.03 0.00 0.04 0.00 0.00 34.50 31.86 3kk2 s PRO 133 CO 0.22 -0.29 0.25 0.45 0.04 0.00 0.00 177.00 177.67 3kk2 s SER 134 N -1.32 4.43 -0.30 6.66 0.15 -1.26 -4.80 113.70 117.25 3kk2 s SER 134 Ca 0.58 -1.47 -0.43 0.00 0.70 0.00 0.00 55.95 55.33 3kk2 s SER 134 Cb -0.27 0.62 -0.18 0.00 -1.71 0.00 0.00 66.02 64.47 3kk2 s SER 134 CO 0.34 -1.08 1.53 -0.38 1.20 0.00 0.00 173.24 174.86 3kk2 n ILE 135 N -1.61 0.09 0.66 6.45 -0.00 -1.26 -4.75 119.36 118.93 3kk2 n ILE 135 Ca -0.10 -0.02 0.06 0.00 -0.00 0.00 0.00 62.75 62.69 3kk2 n ILE 135 Cb 0.66 -0.65 0.33 0.00 -0.00 0.00 0.00 39.64 39.98 3kk2 n ILE 135 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3kk2 n ASN 136 N 3.86 0.00 -0.01 4.38 4.13 -1.26 -0.87 115.26 125.49 3kk2 n ASN 136 Ca 0.27 -0.06 0.07 0.00 1.68 0.00 0.00 54.58 56.54 3kk2 n ASN 136 Cb 0.04 -0.19 -0.10 0.00 -1.54 0.00 0.00 39.78 37.98 3kk2 n ASN 136 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3kk2 n ASN 137 N -1.19 1.82 -0.01 6.41 4.13 -1.26 -4.61 115.26 120.54 3kk2 n ASN 137 Ca 0.07 -0.06 0.11 0.00 1.68 0.00 0.00 54.58 56.38 3kk2 n ASN 137 Cb 0.08 1.58 -0.16 0.00 -1.54 0.00 0.00 39.78 39.73 3kk2 n ASN 137 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kk2 n GLU 138 N -1.93 0.59 -3.57 3.52 1.02 -0.05 -5.02 120.64 115.21 3kk2 n GLU 138 Ca -0.02 -0.18 -0.12 0.00 -0.02 0.00 0.00 57.16 56.82 3kk2 n GLU 138 Cb 0.34 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 3kk2 n GLU 138 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kk2 s THR 139 N -3.46 0.00 0.21 2.62 2.01 -1.10 -5.04 115.64 110.88 3kk2 s THR 139 Ca -0.06 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 3kk2 s THR 139 Cb 0.14 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.80 3kk2 s THR 139 CO 0.90 0.00 1.78 -0.65 -0.69 0.00 0.00 174.62 175.96 3kk2 h PRO 140 N 2.75 1.15 0.00 4.92 0.11 -1.91 -3.40 132.00 135.62 3kk2 h PRO 140 Ca -0.21 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3kk2 h PRO 140 Cb 1.16 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3kk2 h PRO 140 CO 0.32 0.93 0.00 0.41 -0.21 0.00 0.00 178.00 179.45 3kk2 n GLY 141 N -0.90 1.15 3.80 -0.55 0.00 -1.24 -4.54 105.19 102.91 3kk2 n GLY 141 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3kk2 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk2 s ILE 142 N 2.17 5.08 -0.25 -0.61 1.01 -0.95 -4.90 121.20 122.75 3kk2 s ILE 142 Ca 0.00 0.85 -0.05 0.00 0.00 0.00 0.00 60.65 61.46 3kk2 s ILE 142 Cb 0.00 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.74 3kk2 s ILE 142 CO 0.00 0.50 0.00 -0.13 0.00 0.00 0.00 174.94 175.32 3kk2 s ARG 143 N -0.54 3.19 0.43 2.79 0.52 -1.26 -0.71 118.95 123.37 3kk2 s ARG 143 Ca 0.24 -0.76 0.06 0.00 -0.52 0.00 0.00 55.73 54.75 3kk2 s ARG 143 Cb -0.16 -3.15 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 3kk2 s ARG 143 CO 0.12 -0.32 0.11 0.71 0.02 0.00 0.00 175.30 175.94 3kk2 s TYR 144 N 1.47 2.41 0.04 -0.53 2.02 -1.04 -1.20 117.35 120.52 3kk2 s TYR 144 Ca 0.04 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 3kk2 s TYR 144 Cb -0.16 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 3kk2 s TYR 144 CO -0.01 0.24 -0.04 1.14 -1.57 0.00 0.00 175.55 175.31 3kk2 s GLN 145 N -3.86 0.50 0.06 -0.62 -2.07 -0.79 -1.77 119.66 111.12 3kk2 s GLN 145 Ca 0.34 -0.91 -0.30 0.00 -1.82 0.00 0.00 55.36 52.66 3kk2 s GLN 145 Cb 0.05 0.05 -0.05 0.00 -1.09 0.00 0.00 33.01 31.97 3kk2 s GLN 145 CO 0.18 -0.05 1.12 0.71 -1.32 0.00 0.00 175.29 175.93 3kk2 s TYR 146 N -2.50 3.53 -2.71 9.60 1.51 -1.26 -1.85 117.35 123.67 3kk2 s TYR 146 Ca -0.04 1.47 0.22 0.00 -1.01 0.00 0.00 57.07 57.71 3kk2 s TYR 146 Cb -0.02 -3.31 0.20 0.00 -0.11 0.00 0.00 41.96 38.72 3kk2 s TYR 146 CO -0.04 -0.79 1.22 0.09 -1.11 0.00 0.00 175.55 174.92 3kk2 n ASN 147 N 3.65 2.91 -3.89 2.29 3.02 0.10 -4.69 115.26 118.65 3kk2 n ASN 147 Ca 0.07 -1.93 -0.23 0.00 -0.03 0.00 0.00 54.58 52.47 3kk2 n ASN 147 Cb 0.48 -0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.53 3kk2 n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kk2 s VAL 148 N -1.79 0.39 0.07 2.41 -7.23 -1.18 -1.52 120.40 111.54 3kk2 s VAL 148 Ca 0.27 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.13 3kk2 s VAL 148 Cb 0.19 -2.42 -0.07 0.00 0.56 0.00 0.00 36.38 34.64 3kk2 s VAL 148 CO 0.28 0.00 1.48 -0.76 -0.31 0.00 0.00 175.10 175.79 3kk2 s LEU 149 N -3.50 4.35 0.31 1.32 1.43 -0.74 -4.50 118.68 117.35 3kk2 s LEU 149 Ca 0.30 2.32 -0.23 0.00 -1.03 0.00 0.00 54.13 55.50 3kk2 s LEU 149 Cb 0.03 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 3kk2 s LEU 149 CO 0.19 -0.75 0.87 -2.16 0.23 0.00 0.00 176.35 174.72 3kk2 s PRO 150 N 1.93 4.39 -1.00 1.29 0.04 -1.26 -4.17 135.00 136.21 3kk2 s PRO 150 Ca 0.67 1.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.63 3kk2 s PRO 150 Cb -0.36 -2.69 0.11 0.00 0.04 0.00 0.00 34.50 31.59 3kk2 s PRO 150 CO 0.30 0.25 1.28 -0.65 0.04 0.00 0.00 177.00 178.22 3kk2 s GLN 151 N -2.29 3.67 0.00 4.56 -0.21 -1.26 -3.54 119.66 120.58 3kk2 s GLN 151 Ca 0.50 -1.67 0.00 0.00 0.02 0.00 0.00 55.36 54.22 3kk2 s GLN 151 Cb -0.16 -5.09 0.00 0.00 1.00 0.00 0.00 33.01 28.76 3kk2 s GLN 151 CO 0.21 -1.92 0.00 0.41 -2.12 0.00 0.00 175.29 171.86 3kk2 n GLY 152 N 5.76 -0.01 3.86 3.09 0.00 -1.26 -2.41 105.19 114.21 3kk2 n GLY 152 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 3kk2 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kk2 s TRP 153 N 0.00 3.62 0.36 1.61 -0.00 -1.23 -4.14 118.94 119.15 3kk2 s TRP 153 Ca 0.00 0.89 0.04 0.00 -0.00 0.00 0.00 56.10 57.03 3kk2 s TRP 153 Cb 0.00 -2.23 0.68 0.00 -0.00 0.00 0.00 33.47 31.92 3kk2 s TRP 153 CO 0.00 0.52 1.98 -0.22 -0.00 0.00 0.00 176.95 179.23 3kk2 h LYS 154 N 3.85 0.68 0.00 5.86 3.64 -1.93 -2.85 116.57 125.82 3kk2 h LYS 154 Ca -0.49 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3kk2 h LYS 154 Cb 1.20 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3kk2 h LYS 154 CO 0.65 0.51 -0.51 0.78 -2.27 0.00 0.00 179.45 178.61 3kk2 h GLY 155 N 0.77 0.00 0.49 5.01 0.00 -1.94 -3.39 103.07 104.01 3kk2 h GLY 155 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3kk2 h GLY 155 CO -0.03 0.00 -0.50 1.76 0.00 0.00 0.00 176.54 177.78 3kk2 h SER 156 N 0.00 -1.37 -0.32 0.19 0.02 -1.81 -2.41 113.55 107.85 3kk2 h SER 156 Ca 0.00 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3kk2 h SER 156 Cb 0.81 0.46 -0.05 0.00 0.14 0.00 0.00 62.40 63.76 3kk2 h SER 156 CO 0.00 -0.65 0.03 -0.65 -1.14 0.00 0.00 176.83 174.43 3kk2 h PRO 157 N -0.97 0.13 -0.81 3.45 0.11 -1.77 0.16 132.00 132.31 3kk2 h PRO 157 Ca -0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3kk2 h PRO 157 Cb 0.85 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.89 3kk2 h PRO 157 CO -0.08 0.09 0.47 0.00 -0.21 0.00 0.00 178.00 178.26 3kk2 h ALA 158 N 1.26 1.03 -0.21 -0.75 0.00 -1.82 0.55 119.26 119.32 3kk2 h ALA 158 Ca 0.15 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3kk2 h ALA 158 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kk2 h ALA 158 CO -0.23 0.51 -0.45 0.82 0.00 0.00 0.00 179.25 179.91 3kk2 h ILE 159 N 1.11 1.31 -0.12 0.00 2.04 -0.79 0.59 117.51 121.66 3kk2 h ILE 159 Ca 0.29 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 3kk2 h ILE 159 Cb -0.01 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3kk2 h ILE 159 CO -0.05 0.51 -0.00 0.15 0.00 0.00 0.00 178.15 178.76 3kk2 h PHE 160 N 0.42 0.23 -0.98 1.37 3.57 -0.35 -0.78 116.94 120.43 3kk2 h PHE 160 Ca 0.03 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3kk2 h PHE 160 Cb 0.95 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 3kk2 h PHE 160 CO 0.04 0.46 0.63 1.96 -2.23 0.00 0.00 178.31 179.17 3kk2 h GLN 161 N -0.07 1.12 -0.26 1.11 4.20 -0.72 0.97 115.11 121.46 3kk2 h GLN 161 Ca 0.03 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3kk2 h GLN 161 Cb 0.37 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3kk2 h GLN 161 CO 0.01 0.74 -0.07 1.03 -0.67 0.00 0.00 178.83 179.87 3kk2 h SER 162 N 1.15 0.51 -0.27 1.46 0.87 -0.78 -2.68 113.55 113.81 3kk2 h SER 162 Ca 0.42 -0.37 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 3kk2 h SER 162 Cb 0.14 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3kk2 h SER 162 CO -0.17 0.76 -0.15 0.28 -0.53 0.00 0.00 176.83 177.03 3kk2 h SER 163 N 0.24 0.69 -0.58 6.23 0.02 -0.37 0.91 113.55 120.70 3kk2 h SER 163 Ca 0.06 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3kk2 h SER 163 Cb 0.54 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3kk2 h SER 163 CO 0.03 0.86 0.23 0.24 -1.14 0.00 0.00 176.83 177.04 3kk2 h MET 164 N 0.63 0.88 -0.39 3.45 2.07 -0.83 0.69 114.93 121.43 3kk2 h MET 164 Ca 0.10 -0.16 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 3kk2 h MET 164 Cb 0.61 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 30.18 3kk2 h MET 164 CO 0.04 0.76 0.21 1.15 1.07 0.00 0.00 176.91 180.14 3kk2 h THR 165 N 0.81 1.15 0.15 2.22 2.02 -1.09 0.13 112.91 118.30 3kk2 h THR 165 Ca 0.19 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.99 3kk2 h THR 165 Cb 0.21 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3kk2 h THR 165 CO -0.01 0.16 -0.36 0.50 0.37 0.00 0.00 175.52 176.17 3kk2 h LYS 166 N 0.50 -0.59 -0.99 6.66 1.63 -0.39 -1.65 116.57 121.74 3kk2 h LYS 166 Ca 0.14 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.03 3kk2 h LYS 166 Cb 0.06 0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 31.76 3kk2 h LYS 166 CO -0.02 -0.39 0.64 0.82 -3.45 0.00 0.00 179.45 177.05 3kk2 h ILE 167 N -0.61 1.11 0.00 2.00 2.04 0.90 -1.88 117.51 121.07 3kk2 h ILE 167 Ca 0.02 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3kk2 h ILE 167 Cb 0.63 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3kk2 h ILE 167 CO -0.20 0.22 0.00 -0.07 0.00 0.00 0.00 178.15 178.10 3kk2 h LEU 168 N 1.19 0.00 -0.54 1.44 3.38 -0.63 -3.37 115.31 116.78 3kk2 h LEU 168 Ca 0.42 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.50 3kk2 h LEU 168 Cb 0.12 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.77 3kk2 h LEU 168 CO -0.16 0.00 -0.19 -0.08 0.09 0.00 0.00 178.44 178.11 3kk2 h GLU 169 N 0.00 -0.06 -0.70 1.13 4.22 -0.43 -0.49 114.58 118.26 3kk2 h GLU 169 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 3kk2 h GLU 169 Cb 0.89 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 3kk2 h GLU 169 CO 0.00 -0.04 0.32 -1.35 -2.18 0.00 0.00 179.01 175.76 3kk2 h PRO 170 N -0.06 1.01 -0.81 0.92 0.11 -1.75 -1.66 132.00 129.77 3kk2 h PRO 170 Ca 0.26 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3kk2 h PRO 170 Cb 0.45 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.35 3kk2 h PRO 170 CO -0.59 0.81 0.51 0.35 -0.21 0.00 0.00 178.00 178.88 3kk2 h PHE 171 N 0.98 1.04 -0.25 0.65 3.57 -1.39 -1.96 116.94 119.58 3kk2 h PHE 171 Ca 0.24 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.62 3kk2 h PHE 171 Cb 0.14 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3kk2 h PHE 171 CO 0.01 0.68 -0.37 0.00 -2.23 0.00 0.00 178.31 176.39 3kk2 h ARG 172 N 1.11 0.57 -0.40 1.11 3.08 -0.47 0.13 114.38 119.52 3kk2 h ARG 172 Ca 0.29 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3kk2 h ARG 172 Cb -0.09 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3kk2 h ARG 172 CO -0.06 0.86 0.12 0.87 -1.07 0.00 0.00 179.97 180.68 3kk2 h LYS 173 N 0.48 0.62 -0.23 0.04 6.56 -0.77 -0.35 116.57 122.93 3kk2 h LYS 173 Ca 0.05 -0.14 -0.09 0.00 -1.06 0.00 0.00 60.65 59.41 3kk2 h LYS 173 Cb 0.86 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.42 3kk2 h LYS 173 CO 0.07 0.62 -0.26 0.37 -2.06 0.00 0.00 179.45 178.20 3kk2 h GLN 174 N 0.49 0.43 -2.18 3.15 4.15 -1.18 -3.34 115.11 116.63 3kk2 h GLN 174 Ca 0.13 -0.16 -0.57 0.00 0.77 0.00 0.00 58.65 58.81 3kk2 h GLN 174 Cb 0.27 -0.03 -0.41 0.00 0.21 0.00 0.00 27.48 27.52 3kk2 h GLN 174 CO -0.00 0.66 -0.76 0.09 -1.93 0.00 0.00 178.83 176.88 3kk2 n ASN 175 N -4.12 3.25 0.06 -0.69 5.03 0.45 -4.90 115.26 114.34 3kk2 n ASN 175 Ca -0.01 -3.41 0.07 0.00 0.87 0.00 0.00 54.58 52.11 3kk2 n ASN 175 Cb 0.40 -0.61 0.33 0.00 -1.02 0.00 0.00 39.78 38.89 3kk2 n ASN 175 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 3kk2 n PRO 176 N 0.32 0.08 -0.20 3.52 -0.04 -0.19 -2.29 135.00 136.20 3kk2 n PRO 176 Ca 0.29 0.42 0.09 0.00 -0.04 0.00 0.00 63.50 64.26 3kk2 n PRO 176 Cb 0.45 -1.68 0.16 0.00 -0.04 0.00 0.00 33.50 32.40 3kk2 n PRO 176 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kk2 n ASP 177 N -1.83 2.35 -4.45 3.54 10.43 -1.26 -4.90 116.55 120.44 3kk2 n ASP 177 Ca 0.01 -3.23 -0.33 0.00 2.57 0.00 0.00 54.79 53.81 3kk2 n ASP 177 Cb 0.12 -0.46 -0.13 0.00 1.84 0.00 0.00 41.12 42.49 3kk2 n ASP 177 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kk2 s ILE 178 N -2.94 3.49 -0.22 0.53 1.01 -0.97 -4.68 121.20 117.42 3kk2 s ILE 178 Ca 0.34 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 3kk2 s ILE 178 Cb 0.30 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 3kk2 s ILE 178 CO 0.02 0.52 0.16 0.54 0.00 0.00 0.00 174.94 176.17 3kk2 s VAL 179 N 0.24 5.37 -0.43 2.92 0.11 0.06 -4.92 120.40 123.76 3kk2 s VAL 179 Ca -0.06 0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.24 3kk2 s VAL 179 Cb -0.15 -3.50 0.12 0.00 -1.53 0.00 0.00 36.38 31.32 3kk2 s VAL 179 CO 0.04 0.38 0.17 -0.63 -3.33 0.00 0.00 175.10 171.73 3kk2 s ILE 180 N 0.76 2.20 -0.36 7.04 1.01 -1.25 -0.42 121.20 130.18 3kk2 s ILE 180 Ca 0.08 -2.72 -0.29 0.00 0.00 0.00 0.00 60.65 57.73 3kk2 s ILE 180 Cb -0.12 -2.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 3kk2 s ILE 180 CO 0.02 -0.73 1.57 -0.31 0.00 0.00 0.00 174.94 175.49 3kk2 s TYR 181 N 0.38 2.17 -0.41 3.97 1.51 0.66 -4.88 117.35 120.74 3kk2 s TYR 181 Ca 0.14 0.65 -0.06 0.00 -1.01 0.00 0.00 57.07 56.79 3kk2 s TYR 181 Cb -0.23 -4.20 0.09 0.00 -0.11 0.00 0.00 41.96 37.51 3kk2 s TYR 181 CO -0.05 -2.42 0.22 -1.14 -1.11 0.00 0.00 175.55 171.05 3kk2 s GLN 182 N 5.14 2.37 -0.33 -0.62 0.74 -1.26 -1.02 119.66 124.68 3kk2 s GLN 182 Ca 0.69 -1.59 -0.01 0.00 0.05 0.00 0.00 55.36 54.50 3kk2 s GLN 182 Cb -0.18 -3.66 0.07 0.00 1.10 0.00 0.00 33.01 30.34 3kk2 s GLN 182 CO 0.32 -0.98 0.06 -0.47 -0.55 0.00 0.00 175.29 173.68 3kk2 s TYR 183 N 1.30 3.41 0.00 1.67 5.04 -0.68 -4.96 117.35 123.14 3kk2 s TYR 183 Ca 0.04 -2.17 0.00 0.00 -2.44 0.00 0.00 57.07 52.50 3kk2 s TYR 183 Cb -0.23 -2.51 0.00 0.00 0.35 0.00 0.00 41.96 39.57 3kk2 s TYR 183 CO -0.01 -0.87 0.00 -0.12 -1.34 0.00 0.00 175.55 173.21 3kk2 n MET 184 N 4.57 0.00 -0.10 4.97 1.56 -1.26 -0.34 117.12 126.52 3kk2 n MET 184 Ca -0.08 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.42 3kk2 n MET 184 Cb 0.43 0.00 0.12 0.00 2.15 0.00 0.00 33.22 35.91 3kk2 n MET 184 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 3kk2 n ASP 185 N 8.49 2.62 -4.53 6.12 3.85 -1.26 -4.90 116.55 126.94 3kk2 n ASP 185 Ca 0.00 -1.77 -0.43 0.00 -0.71 0.00 0.00 54.79 51.88 3kk2 n ASP 185 Cb 0.00 -0.13 -0.06 0.00 -1.35 0.00 0.00 41.12 39.58 3kk2 n ASP 185 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3kk2 s ASP 186 N -1.09 6.38 -0.25 -1.12 3.68 0.54 -3.52 116.67 121.29 3kk2 s ASP 186 Ca 0.22 -0.20 -0.09 0.00 2.13 0.00 0.00 52.55 54.61 3kk2 s ASP 186 Cb 0.13 -2.37 -0.04 0.00 -1.45 0.00 0.00 42.92 39.19 3kk2 s ASP 186 CO 0.19 -0.91 0.12 -0.76 0.13 0.00 0.00 175.17 173.94 3kk2 s LEU 187 N 3.21 3.79 -0.17 -1.34 1.43 -0.06 -1.68 118.68 123.87 3kk2 s LEU 187 Ca 0.28 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 3kk2 s LEU 187 Cb -0.13 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3kk2 s LEU 187 CO 0.21 0.00 0.42 -0.47 0.23 0.00 0.00 176.35 176.75 3kk2 s TYR 188 N 1.42 3.42 -0.12 0.29 6.14 -0.19 -1.11 117.35 127.20 3kk2 s TYR 188 Ca 0.06 0.71 0.00 0.00 0.64 0.00 0.00 57.07 58.49 3kk2 s TYR 188 Cb -0.15 -2.53 0.02 0.00 0.42 0.00 0.00 41.96 39.72 3kk2 s TYR 188 CO 0.06 0.06 -0.12 0.08 0.64 0.00 0.00 175.55 176.27 3kk2 s VAL 189 N 1.06 1.32 0.09 3.14 1.01 0.11 -0.25 120.40 126.88 3kk2 s VAL 189 Ca 0.21 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3kk2 s VAL 189 Cb -0.15 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3kk2 s VAL 189 CO 0.08 0.41 -0.15 -0.83 0.00 0.00 0.00 175.10 174.62 3kk2 s GLY 190 N 1.40 0.96 0.26 4.51 0.00 0.44 -0.82 107.32 114.07 3kk2 s GLY 190 Ca 0.01 -1.10 -0.08 0.00 0.00 0.00 0.00 44.72 43.55 3kk2 s GLY 190 CO -0.07 -1.14 0.40 -1.35 0.00 0.00 0.00 173.10 170.94 3kk2 s SER 191 N -1.94 0.21 -0.33 1.64 1.04 -0.83 -0.76 113.70 112.72 3kk2 s SER 191 Ca 0.02 -1.17 0.07 0.00 0.48 0.00 0.00 55.95 55.34 3kk2 s SER 191 Cb -0.09 0.56 0.49 0.00 0.10 0.00 0.00 66.02 67.08 3kk2 s SER 191 CO 0.03 -1.11 1.46 0.47 0.98 0.00 0.00 173.24 175.07 3kk2 n ASP 192 N -0.61 3.60 -4.87 7.02 9.92 -1.26 0.00 116.55 130.35 3kk2 n ASP 192 Ca -0.00 -3.79 -0.30 0.00 -0.53 0.00 0.00 54.79 50.16 3kk2 n ASP 192 Cb 0.63 -0.61 -0.05 0.00 -0.64 0.00 0.00 41.12 40.45 3kk2 n ASP 192 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3kk2 s LEU 193 N -3.40 4.14 0.82 0.64 1.43 -1.26 -4.89 118.68 116.16 3kk2 s LEU 193 Ca 0.48 0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.61 3kk2 s LEU 193 Cb 0.42 -2.77 0.09 0.00 0.03 0.00 0.00 46.19 43.96 3kk2 s LEU 193 CO 0.00 0.16 1.19 -0.70 0.23 0.00 0.00 176.35 177.24 3kk2 s GLU 194 N -2.53 1.54 0.25 1.70 2.56 -1.26 -4.26 118.70 116.70 3kk2 s GLU 194 Ca 0.33 1.72 -0.09 0.00 0.00 0.00 0.00 54.97 56.93 3kk2 s GLU 194 Cb -0.12 -1.77 0.40 0.00 2.00 0.00 0.00 34.13 34.64 3kk2 s GLU 194 CO 0.26 -2.28 1.60 0.82 -0.56 0.00 0.00 175.26 175.10 3kk2 h ILE 195 N -1.07 0.22 0.00 -3.70 2.04 -1.99 -1.01 117.51 112.01 3kk2 h ILE 195 Ca -0.46 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 3kk2 h ILE 195 Cb 1.29 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3kk2 h ILE 195 CO 0.45 0.00 -0.27 1.23 0.00 0.00 0.00 178.15 179.57 3kk2 h GLY 196 N 0.02 0.00 1.16 5.37 0.00 -1.99 -0.28 103.07 107.36 3kk2 h GLY 196 Ca 0.41 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.40 3kk2 h GLY 196 CO -0.80 0.00 -1.57 -1.61 0.00 0.00 0.00 176.54 172.56 3kk2 h GLN 197 N 0.00 0.47 -0.14 4.80 4.15 -1.72 -2.78 115.11 119.89 3kk2 h GLN 197 Ca -0.00 -0.80 0.05 0.00 0.77 0.00 0.00 58.65 58.66 3kk2 h GLN 197 Cb 1.19 0.30 -0.06 0.00 0.21 0.00 0.00 27.48 29.13 3kk2 h GLN 197 CO 0.03 1.38 -0.21 1.25 -1.93 0.00 0.00 178.83 179.35 3kk2 h HIS 198 N 0.13 -0.54 -0.85 3.99 2.76 -1.09 -1.62 115.15 117.93 3kk2 h HIS 198 Ca -0.28 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 57.95 3kk2 h HIS 198 Cb 2.14 0.26 -0.05 0.00 1.55 0.00 0.00 27.41 31.31 3kk2 h HIS 198 CO 0.11 -0.29 0.56 0.00 -1.30 0.00 0.00 177.93 177.02 3kk2 h ARG 199 N -0.26 1.04 -0.47 5.26 2.47 -1.11 0.66 114.38 121.97 3kk2 h ARG 199 Ca 0.10 -0.06 0.07 0.00 -1.26 0.00 0.00 59.98 58.83 3kk2 h ARG 199 Cb 0.41 -0.23 -0.06 0.00 -1.65 0.00 0.00 29.97 28.44 3kk2 h ARG 199 CO -0.29 0.69 0.13 1.15 0.56 0.00 0.00 179.97 182.20 3kk2 h THR 200 N 1.07 0.79 -0.23 2.04 2.02 -1.18 -2.47 112.91 114.96 3kk2 h THR 200 Ca 0.34 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.31 3kk2 h THR 200 Cb 0.01 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3kk2 h THR 200 CO -0.10 0.05 -0.33 0.50 0.37 0.00 0.00 175.52 176.01 3kk2 h LYS 201 N 0.28 0.49 -0.60 6.66 1.63 0.11 -0.22 116.57 124.94 3kk2 h LYS 201 Ca 0.23 -0.22 0.04 0.00 -0.85 0.00 0.00 60.65 59.85 3kk2 h LYS 201 Cb 0.26 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 3kk2 h LYS 201 CO -0.26 0.77 0.39 0.82 -3.45 0.00 0.00 179.45 177.72 3kk2 h ILE 202 N 0.42 1.07 0.00 2.00 1.08 -0.50 -0.26 117.51 121.32 3kk2 h ILE 202 Ca 0.05 -0.23 -0.15 0.00 -0.39 0.00 0.00 64.86 64.13 3kk2 h ILE 202 Cb 0.79 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 3kk2 h ILE 202 CO 0.06 0.12 -0.73 -0.33 -0.69 0.00 0.00 178.15 176.59 3kk2 h GLU 203 N 0.68 0.00 -0.45 2.37 4.39 -0.59 -0.77 114.58 120.20 3kk2 h GLU 203 Ca 0.24 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.86 3kk2 h GLU 203 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3kk2 h GLU 203 CO -0.07 0.73 -0.02 1.49 -1.16 0.00 0.00 179.01 179.98 3kk2 h GLU 204 N 0.00 0.81 -0.06 2.33 4.81 -0.63 -2.65 114.58 119.19 3kk2 h GLU 204 Ca -0.01 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3kk2 h GLU 204 Cb 1.36 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 3kk2 h GLU 204 CO 0.09 0.88 0.03 1.25 -0.73 0.00 0.00 179.01 180.53 3kk2 h LEU 205 N 0.66 0.08 -1.97 1.64 6.46 -0.59 0.10 115.31 121.69 3kk2 h LEU 205 Ca 0.13 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 3kk2 h LEU 205 Cb 0.52 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.43 3kk2 h LEU 205 CO 0.03 0.18 -0.07 0.03 -0.62 0.00 0.00 178.44 177.99 3kk2 h ARG 206 N -0.03 0.00 0.12 1.25 3.08 -1.15 0.19 114.38 117.84 3kk2 h ARG 206 Ca 0.02 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.78 3kk2 h ARG 206 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3kk2 h ARG 206 CO -0.00 0.07 -1.43 1.96 -1.07 0.00 0.00 179.97 179.49 3kk2 h GLN 207 N 0.00 0.25 -0.05 0.04 1.08 -1.11 0.23 115.11 115.56 3kk2 h GLN 207 Ca -0.00 -0.43 -0.00 0.00 -1.45 0.00 0.00 58.65 56.76 3kk2 h GLN 207 Cb 0.14 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3kk2 h GLN 207 CO 0.01 1.14 0.03 1.25 -0.95 0.00 0.00 178.83 180.31 3kk2 h HIS 208 N 0.07 0.07 -0.49 2.96 2.76 -0.01 0.25 115.15 120.76 3kk2 h HIS 208 Ca -0.21 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.03 3kk2 h HIS 208 Cb 2.00 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 30.88 3kk2 h HIS 208 CO 0.06 0.10 0.17 -0.07 -1.30 0.00 0.00 177.93 176.90 3kk2 h LEU 209 N 0.01 0.17 -0.89 0.26 4.07 -0.63 -2.36 115.31 115.94 3kk2 h LEU 209 Ca 0.02 0.06 -0.11 0.00 0.08 0.00 0.00 57.88 57.93 3kk2 h LEU 209 Cb 0.06 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3kk2 h LEU 209 CO -0.00 0.12 -0.39 0.25 -1.08 0.00 0.00 178.44 177.34 3kk2 h LEU 210 N 0.35 0.34 -1.95 1.67 5.85 -0.14 0.95 115.31 122.38 3kk2 h LEU 210 Ca 0.24 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3kk2 h LEU 210 Cb 0.25 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3kk2 h LEU 210 CO -0.24 0.70 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.36 3kk2 h ARG 211 N 0.27 0.00 -0.67 1.25 1.12 -0.02 -1.24 114.38 115.09 3kk2 h ARG 211 Ca 0.03 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.86 3kk2 h ARG 211 Cb 0.82 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.75 3kk2 h ARG 211 CO 0.07 0.11 0.05 0.91 -3.11 0.00 0.00 179.97 177.99 3kk2 n TRP 212 N -3.96 1.88 -0.79 2.20 7.02 -0.70 -4.78 117.44 118.31 3kk2 n TRP 212 Ca -0.02 -0.72 0.00 0.00 -1.02 0.00 0.00 57.50 55.74 3kk2 n TRP 212 Cb 0.20 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 28.59 3kk2 n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kk2 n GLY 213 N 0.40 0.61 3.27 6.99 0.00 -0.47 -4.10 105.19 111.89 3kk2 n GLY 213 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 3kk2 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kk2 s LEU 214 N 0.00 3.94 0.22 0.99 1.43 0.25 -4.33 118.68 121.17 3kk2 s LEU 214 Ca 0.00 -0.99 -0.21 0.00 -1.03 0.00 0.00 54.13 51.90 3kk2 s LEU 214 Cb 0.00 -1.82 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 3kk2 s LEU 214 CO 0.00 -0.25 0.75 0.42 0.23 0.00 0.00 176.35 177.50 3kk2 s THR 215 N 1.40 4.50 -0.39 5.49 -4.23 -1.26 -2.35 115.64 118.79 3kk2 s THR 215 Ca -0.01 1.41 0.03 0.00 -1.18 0.00 0.00 61.69 61.94 3kk2 s THR 215 Cb -0.18 -3.93 0.11 0.00 1.34 0.00 0.00 72.50 69.84 3kk2 s THR 215 CO 0.01 0.27 0.14 0.42 -0.54 0.00 0.00 174.62 174.92 3kk2 s THR 216 N -1.45 1.90 0.65 3.99 -4.23 -1.26 -0.44 115.64 114.79 3kk2 s THR 216 Ca 0.42 -2.38 -0.11 0.00 -1.18 0.00 0.00 61.69 58.44 3kk2 s THR 216 Cb -0.18 -2.37 0.15 0.00 1.34 0.00 0.00 72.50 71.44 3kk2 s THR 216 CO 0.22 -0.71 0.80 -0.81 -0.54 0.00 0.00 174.62 173.58 3kk2 n PRO 217 N 4.02 -1.16 -4.33 3.99 -0.04 -1.26 -4.97 135.00 131.26 3kk2 n PRO 217 Ca 0.04 -1.24 -0.33 0.00 -0.04 0.00 0.00 63.50 61.93 3kk2 n PRO 217 Cb 0.39 -0.89 -0.16 0.00 -0.04 0.00 0.00 33.50 32.79 3kk2 n PRO 217 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kk2 s ASP 218 N -3.88 3.17 0.00 3.54 1.11 -1.26 -3.08 116.67 116.26 3kk2 s ASP 218 Ca 0.46 -0.62 0.00 0.00 0.18 0.00 0.00 52.55 52.57 3kk2 s ASP 218 Cb -0.02 -1.48 0.00 0.00 1.07 0.00 0.00 42.92 42.50 3kk2 s ASP 218 CO 0.33 0.03 0.00 1.17 1.18 0.00 0.00 175.17 177.88 3kk2 n LYS 219 N 4.41 0.00 -3.95 8.23 3.00 -1.26 -5.11 118.16 123.48 3kk2 n LYS 219 Ca -0.21 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.77 3kk2 n LYS 219 Cb 0.51 -2.65 -0.14 0.00 0.00 0.00 0.00 35.03 32.75 3kk2 n LYS 219 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3kk2 s LYS 220 N -0.13 2.04 0.28 1.64 2.20 -1.18 -3.59 119.74 121.00 3kk2 s LYS 220 Ca 0.00 -1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 53.75 3kk2 s LYS 220 Cb 0.00 -3.20 -0.11 0.00 -1.51 0.00 0.00 37.83 33.01 3kk2 s LYS 220 CO 0.00 -0.78 1.58 -1.01 -0.36 0.00 0.00 175.35 174.78 3kk2 s HIS 221 N 1.10 2.80 0.00 4.03 3.76 -0.41 -4.97 115.29 121.60 3kk2 s HIS 221 Ca 0.01 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 55.70 3kk2 s HIS 221 Cb -0.20 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.45 3kk2 s HIS 221 CO -0.04 -3.51 0.00 0.94 -0.85 0.00 0.00 174.74 171.27 3kk2 n GLN 222 N 2.33 1.82 -0.85 1.40 7.27 -1.26 -3.44 117.38 124.65 3kk2 n GLN 222 Ca 0.08 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 57.00 3kk2 n GLN 222 Cb 0.38 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.98 3kk2 n GLN 222 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3kk2 n LYS 223 N 0.00 0.00 -2.70 3.69 3.00 -1.26 -4.09 118.16 116.81 3kk2 n LYS 223 Ca 0.00 -0.38 -0.06 0.00 -0.00 0.00 0.00 58.31 57.87 3kk2 n LYS 223 Cb 0.00 -1.58 0.09 0.00 0.00 0.00 0.00 35.03 33.54 3kk2 n LYS 223 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3kk2 n GLU 224 N 5.16 0.86 -1.59 1.64 2.13 -1.26 -5.05 120.64 122.53 3kk2 n GLU 224 Ca 0.17 -1.53 -0.36 0.00 0.66 0.00 0.00 57.16 56.10 3kk2 n GLU 224 Cb 0.32 -0.30 0.08 0.00 0.27 0.00 0.00 31.44 31.82 3kk2 n GLU 224 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3kk2 s PRO 225 N 0.17 2.33 0.14 5.31 0.02 -1.26 -3.00 135.00 138.72 3kk2 s PRO 225 Ca 0.18 1.99 -0.27 0.00 0.02 0.00 0.00 61.00 62.93 3kk2 s PRO 225 Cb 0.30 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.92 3kk2 s PRO 225 CO -0.08 -1.75 0.83 -1.25 -0.33 0.00 0.00 177.00 174.42 3kk2 s PRO 226 N -3.56 4.62 0.02 5.54 0.04 -1.26 -5.10 135.00 135.30 3kk2 s PRO 226 Ca 0.80 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 3kk2 s PRO 226 Cb -0.35 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 30.84 3kk2 s PRO 226 CO 0.42 0.44 0.98 -0.06 0.04 0.00 0.00 177.00 178.82 3kk2 s PHE 227 N -0.73 3.68 -0.51 0.56 0.40 -0.18 -4.78 117.98 116.42 3kk2 s PHE 227 Ca 0.39 1.71 -0.23 0.00 -0.60 0.00 0.00 56.93 58.20 3kk2 s PHE 227 Cb -0.23 -3.11 0.04 0.00 0.51 0.00 0.00 43.02 40.23 3kk2 s PHE 227 CO 0.27 0.01 0.84 -0.51 0.70 0.00 0.00 175.22 176.53 3kk2 s LEU 228 N 0.84 4.30 -0.08 -0.37 1.02 -1.26 0.60 118.68 123.74 3kk2 s LEU 228 Ca 0.51 -0.38 -0.03 0.00 0.02 0.00 0.00 54.13 54.25 3kk2 s LEU 228 Cb -0.21 -2.80 0.04 0.00 0.02 0.00 0.00 46.19 43.24 3kk2 s LEU 228 CO 0.28 -1.08 0.15 0.86 0.02 0.00 0.00 176.35 176.59 3kk2 s TRP 229 N 3.52 -0.15 -0.93 0.29 -0.00 -0.65 -4.89 118.94 116.12 3kk2 s TRP 229 Ca 0.28 0.56 0.00 0.00 -0.00 0.00 0.00 56.10 56.94 3kk2 s TRP 229 Cb -0.14 -0.26 0.00 0.00 -0.00 0.00 0.00 33.47 33.07 3kk2 s TRP 229 CO 0.19 -0.25 0.00 -0.12 -0.00 0.00 0.00 176.95 176.77 3kk2 n MET 230 N 5.20 -1.30 0.00 5.86 1.56 -1.26 -1.34 117.12 125.84 3kk2 n MET 230 Ca -0.07 0.76 0.00 0.00 -0.27 0.00 0.00 57.70 58.12 3kk2 n MET 230 Cb 0.50 -4.92 0.00 0.00 2.15 0.00 0.00 33.22 30.95 3kk2 n MET 230 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3kk2 n GLY 231 N -0.53 1.15 3.56 -5.12 0.00 -1.26 -5.11 105.19 97.88 3kk2 n GLY 231 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 3kk2 n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kk2 s TYR 232 N -2.00 1.83 -0.19 1.61 2.02 -0.45 -2.09 117.35 118.07 3kk2 s TYR 232 Ca 0.00 -1.18 0.01 0.00 -0.37 0.00 0.00 57.07 55.53 3kk2 s TYR 232 Cb 0.00 -1.27 0.03 0.00 -0.40 0.00 0.00 41.96 40.32 3kk2 s TYR 232 CO 0.00 -0.16 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.44 3kk2 s GLU 233 N -3.76 2.70 -0.35 -0.62 2.02 -0.36 -1.64 118.70 116.70 3kk2 s GLU 233 Ca 0.21 -0.90 -0.18 0.00 0.02 0.00 0.00 54.97 54.12 3kk2 s GLU 233 Cb 0.03 -2.57 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 3kk2 s GLU 233 CO 0.12 -0.30 0.50 -0.51 0.02 0.00 0.00 175.26 175.10 3kk2 s LEU 234 N 1.28 4.35 0.50 1.80 1.43 0.20 -1.98 118.68 126.25 3kk2 s LEU 234 Ca 0.02 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 3kk2 s LEU 234 Cb -0.15 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.54 3kk2 s LEU 234 CO -0.11 -0.46 0.68 -1.00 0.23 0.00 0.00 176.35 175.69 3kk2 s HIS 235 N 2.36 2.45 0.36 0.29 3.76 0.11 -1.01 115.29 123.62 3kk2 s HIS 235 Ca 0.18 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.76 3kk2 s HIS 235 Cb -0.16 -2.46 0.68 0.00 1.11 0.00 0.00 32.58 31.75 3kk2 s HIS 235 CO 0.13 -0.75 1.97 -1.35 -0.85 0.00 0.00 174.74 173.89 3kk2 h PRO 236 N 0.35 0.64 0.00 8.40 0.11 -1.98 -3.22 132.00 136.30 3kk2 h PRO 236 Ca -0.38 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kk2 h PRO 236 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kk2 h PRO 236 CO 0.45 0.50 0.00 -0.25 -0.21 0.00 0.00 178.00 178.50 3kk2 n ASP 237 N -4.39 0.38 -3.91 -2.05 8.00 -1.26 -4.90 116.55 108.42 3kk2 n ASP 237 Ca 0.04 -0.69 -0.10 0.00 0.71 0.00 0.00 54.79 54.75 3kk2 n ASP 237 Cb 0.12 0.55 -0.10 0.00 -0.02 0.00 0.00 41.12 41.68 3kk2 n ASP 237 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3kk2 s LYS 238 N -0.55 0.50 0.15 -1.24 -2.85 -1.22 -4.36 119.74 110.17 3kk2 s LYS 238 Ca 0.00 -0.57 0.10 0.00 -1.00 0.00 0.00 55.97 54.50 3kk2 s LYS 238 Cb 0.00 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 3kk2 s LYS 238 CO 0.00 -0.12 -0.24 1.67 0.10 0.00 0.00 175.35 176.76 3kk2 s TRP 239 N -1.88 2.15 0.21 1.78 1.48 -0.75 0.09 118.94 122.01 3kk2 s TRP 239 Ca -0.11 -0.39 0.00 0.00 -1.06 0.00 0.00 56.10 54.54 3kk2 s TRP 239 Cb -0.05 -1.12 -0.05 0.00 -1.16 0.00 0.00 33.47 31.09 3kk2 s TRP 239 CO -0.01 0.36 0.09 -0.08 -4.06 0.00 0.00 176.95 173.24 3kk2 s THR 240 N -1.37 0.33 0.20 0.66 -1.32 -0.84 0.36 115.64 113.66 3kk2 s THR 240 Ca 0.15 -1.99 -0.11 0.00 -1.21 0.00 0.00 61.69 58.53 3kk2 s THR 240 Cb -0.09 -2.44 -0.07 0.00 -1.51 0.00 0.00 72.50 68.39 3kk2 s THR 240 CO 0.07 -0.13 0.55 0.54 -2.21 0.00 0.00 174.62 173.44 3kk2 s VAL 241 N -3.91 4.90 0.34 5.08 0.11 -1.26 -1.22 120.40 124.44 3kk2 s VAL 241 Ca 0.35 0.61 -0.29 0.00 -2.93 0.00 0.00 61.98 59.72 3kk2 s VAL 241 Cb 0.07 -3.66 -0.10 0.00 -1.53 0.00 0.00 36.38 31.16 3kk2 s VAL 241 CO 0.10 0.05 1.37 -1.10 -3.33 0.00 0.00 175.10 172.18 3kk2 s GLN 242 N -2.50 4.28 0.20 1.54 -0.21 -0.89 -4.78 119.66 117.31 3kk2 s GLN 242 Ca 0.44 2.33 -0.31 0.00 0.02 0.00 0.00 55.36 57.83 3kk2 s GLN 242 Cb -0.13 -3.04 -0.15 0.00 1.00 0.00 0.00 33.01 30.69 3kk2 s GLN 242 CO 0.20 -0.30 1.12 -0.35 -2.12 0.00 0.00 175.29 173.84 3kk2 n PRO 243 N 0.75 1.22 -3.81 2.91 -0.04 -1.26 -4.95 135.00 129.82 3kk2 n PRO 243 Ca 0.00 0.43 -0.36 0.00 -0.04 0.00 0.00 63.50 63.53 3kk2 n PRO 243 Cb 0.41 -1.89 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 3kk2 n PRO 243 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kk2 s ILE 244 N -0.41 5.46 -0.31 0.52 1.01 -1.26 -5.07 121.20 121.14 3kk2 s ILE 244 Ca 0.69 0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.61 3kk2 s ILE 244 Cb -0.81 -3.44 0.09 0.00 0.01 0.00 0.00 42.46 38.31 3kk2 s ILE 244 CO 0.54 0.56 0.01 -0.69 0.00 0.00 0.00 174.94 175.36 3kk2 s VAL 245 N -0.59 1.92 0.34 2.92 1.01 -1.26 -5.10 120.40 119.64 3kk2 s VAL 245 Ca 0.13 -1.90 -0.28 0.00 0.00 0.00 0.00 61.98 59.93 3kk2 s VAL 245 Cb -0.12 -2.32 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 3kk2 s VAL 245 CO 0.03 -0.44 1.17 -0.76 0.00 0.00 0.00 175.10 175.10 3kk2 s LEU 246 N 1.12 4.39 1.17 3.92 1.43 -1.26 -5.01 118.68 124.45 3kk2 s LEU 246 Ca 0.05 2.39 -0.17 0.00 -1.03 0.00 0.00 54.13 55.36 3kk2 s LEU 246 Cb -0.19 -3.78 0.20 0.00 0.03 0.00 0.00 46.19 42.45 3kk2 s LEU 246 CO -0.10 -0.42 0.41 -2.65 0.23 0.00 0.00 176.35 173.82 3kk2 n PRO 247 N 0.69 -2.41 -1.19 1.29 -0.02 -1.26 -4.98 135.00 127.12 3kk2 n PRO 247 Ca 0.01 -0.69 0.01 0.00 -2.02 0.00 0.00 63.50 60.81 3kk2 n PRO 247 Cb 0.45 -1.81 -0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3kk2 n PRO 247 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3kk2 n GLU 248 N -3.26 0.00 -0.77 -0.52 2.13 -1.26 -5.11 120.64 111.85 3kk2 n GLU 248 Ca 0.03 -1.55 -0.34 0.00 0.66 0.00 0.00 57.16 55.97 3kk2 n GLU 248 Cb 0.56 0.01 0.13 0.00 0.27 0.00 0.00 31.44 32.41 3kk2 n GLU 248 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3kk2 n LYS 249 N 0.30 -0.97 -0.35 5.31 4.01 -1.26 -4.95 118.16 120.25 3kk2 n LYS 249 Ca -0.01 -0.26 0.02 0.00 -0.51 0.00 0.00 58.31 57.54 3kk2 n LYS 249 Cb 0.96 -1.60 0.03 0.00 -0.51 0.00 0.00 35.03 33.91 3kk2 n LYS 249 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kk2 n ASP 250 N -0.57 0.54 -2.95 4.39 8.00 -1.26 -4.76 116.55 119.93 3kk2 n ASP 250 Ca 0.02 -2.12 -0.15 0.00 0.71 0.00 0.00 54.79 53.25 3kk2 n ASP 250 Cb 0.62 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 3kk2 n ASP 250 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3kk2 n SER 251 N -0.31 -1.68 -4.65 -2.24 2.88 -1.26 -5.13 113.62 101.23 3kk2 n SER 251 Ca 0.03 -2.99 -0.37 0.00 -1.33 0.00 0.00 58.87 54.21 3kk2 n SER 251 Cb 0.65 0.77 0.06 0.00 -0.75 0.00 0.00 64.21 64.95 3kk2 n SER 251 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 3kk2 n TRP 252 N 1.75 1.18 -4.18 0.66 8.01 -1.26 -4.83 117.44 118.76 3kk2 n TRP 252 Ca 0.15 0.42 -0.11 0.00 -1.31 0.00 0.00 57.50 56.66 3kk2 n TRP 252 Cb 0.58 -2.17 -0.10 0.00 -2.01 0.00 0.00 31.31 27.60 3kk2 n TRP 252 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3kk2 s THR 253 N -1.51 0.46 0.33 -0.99 -4.23 -1.26 -1.63 115.64 106.81 3kk2 s THR 253 Ca 0.79 -1.93 0.09 0.00 -1.18 0.00 0.00 61.69 59.46 3kk2 s THR 253 Cb -0.39 -1.91 0.38 0.00 1.34 0.00 0.00 72.50 71.91 3kk2 s THR 253 CO 0.45 -0.64 1.59 0.58 -0.54 0.00 0.00 174.62 176.05 3kk2 h VAL 254 N 2.87 0.05 -0.15 2.29 2.07 -1.39 0.80 116.25 122.79 3kk2 h VAL 254 Ca -0.36 -0.01 -0.22 0.00 0.82 0.00 0.00 66.70 66.93 3kk2 h VAL 254 Cb 1.18 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3kk2 h VAL 254 CO 0.63 0.01 -0.79 -1.13 0.02 0.00 0.00 177.57 176.31 3kk2 h ASN 255 N 0.04 0.94 -0.48 0.57 -0.73 -0.98 0.38 115.58 115.33 3kk2 h ASN 255 Ca 0.69 -0.62 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 3kk2 h ASN 255 Cb 1.60 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 39.89 3kk2 h ASN 255 CO -0.83 1.42 0.29 0.44 -0.37 0.00 0.00 177.43 178.38 3kk2 h ASP 256 N 0.54 0.59 0.08 1.15 5.19 0.01 -1.43 116.42 122.55 3kk2 h ASP 256 Ca -0.05 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 3kk2 h ASP 256 Cb 1.41 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.78 3kk2 h ASP 256 CO 0.16 0.47 -0.04 0.40 -3.12 0.00 0.00 179.24 177.11 3kk2 h ILE 257 N 0.68 0.95 -0.52 0.35 1.08 0.42 -1.57 117.51 118.91 3kk2 h ILE 257 Ca 0.18 -1.45 0.15 0.00 -0.39 0.00 0.00 64.86 63.35 3kk2 h ILE 257 Cb -0.01 1.71 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 3kk2 h ILE 257 CO -0.03 0.29 0.44 0.00 -0.69 0.00 0.00 178.15 178.15 3kk2 n LYS 259 N -4.06 0.40 -0.03 0.00 2.85 -0.55 -2.41 118.16 114.37 3kk2 n LYS 259 Ca 0.10 0.06 -0.13 0.00 -1.05 0.00 0.00 58.31 57.28 3kk2 n LYS 259 Cb 0.65 -1.70 -0.11 0.00 -0.65 0.00 0.00 35.03 33.23 3kk2 n LYS 259 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3kk2 h LEU 260 N 0.00 0.03 -0.96 -5.58 7.12 0.19 -2.57 115.31 113.53 3kk2 h LEU 260 Ca 0.00 -0.64 0.03 0.00 0.13 0.00 0.00 57.88 57.40 3kk2 h LEU 260 Cb 0.83 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.90 3kk2 h LEU 260 CO 0.00 0.67 0.63 0.58 -0.13 0.00 0.00 178.44 180.18 3kk2 h VAL 261 N -0.61 1.18 -0.06 1.05 2.07 -1.06 -2.05 116.25 116.76 3kk2 h VAL 261 Ca -0.00 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.13 3kk2 h VAL 261 Cb 0.66 -0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 3kk2 h VAL 261 CO 0.00 0.22 -0.41 1.23 0.02 0.00 0.00 177.57 178.64 3kk2 h GLY 262 N 1.23 -0.71 0.99 2.17 0.00 -1.46 0.06 103.07 105.35 3kk2 h GLY 262 Ca 0.38 0.50 -0.01 0.00 0.00 0.00 0.00 47.33 48.20 3kk2 h GLY 262 CO -0.11 -0.23 0.32 0.50 0.00 0.00 0.00 176.54 177.01 3kk2 h LYS 263 N -0.52 0.79 -0.04 4.80 1.57 -1.19 -1.51 116.57 120.47 3kk2 h LYS 263 Ca 0.06 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kk2 h LYS 263 Cb 0.63 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kk2 h LYS 263 CO -0.35 0.60 0.02 -0.07 -0.57 0.00 0.00 179.45 179.08 3kk2 h LEU 264 N 0.77 0.06 -0.47 2.94 -0.00 -1.08 0.07 115.31 117.60 3kk2 h LEU 264 Ca 0.20 -0.10 0.09 0.00 -0.00 0.00 0.00 57.88 58.07 3kk2 h LEU 264 Cb 0.03 -0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 40.60 3kk2 h LEU 264 CO -0.03 0.14 -0.01 0.78 -0.00 0.00 0.00 178.44 179.32 3kk2 h ASN 265 N -0.03 -0.22 -0.89 -0.43 2.35 -0.86 0.76 115.58 116.26 3kk2 h ASN 265 Ca 0.02 0.11 0.19 0.00 -0.55 0.00 0.00 56.30 56.07 3kk2 h ASN 265 Cb 0.10 0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.61 3kk2 h ASN 265 CO -0.00 -0.07 0.58 -0.25 -1.65 0.00 0.00 177.43 176.04 3kk2 h TRP 266 N 0.10 0.60 0.01 1.19 2.91 -0.90 -2.31 115.95 117.55 3kk2 h TRP 266 Ca 0.23 0.02 -0.19 0.00 1.13 0.00 0.00 58.89 60.08 3kk2 h TRP 266 Cb 0.35 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.79 3kk2 h TRP 266 CO -0.31 0.18 -0.92 0.00 -1.03 0.00 0.00 178.44 176.36 3kk2 h ALA 267 N 1.61 0.49 0.00 2.65 0.00 0.24 -3.26 119.26 120.99 3kk2 h ALA 267 Ca 0.46 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kk2 h ALA 267 Cb 1.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3kk2 h ALA 267 CO -0.19 1.11 0.00 -1.13 0.00 0.00 0.00 179.25 179.05 3kk2 n SER 268 N -3.48 0.00 0.23 0.00 3.41 0.70 -1.75 113.62 112.72 3kk2 n SER 268 Ca -0.01 0.17 0.15 0.00 -0.26 0.00 0.00 58.87 58.92 3kk2 n SER 268 Cb 0.86 -0.33 0.55 0.00 -0.26 0.00 0.00 64.21 65.03 3kk2 n SER 268 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3kk2 h GLN 269 N 0.00 0.00 0.00 4.33 3.07 -1.70 -2.92 115.11 117.89 3kk2 h GLN 269 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3kk2 h GLN 269 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 3kk2 h GLN 269 CO 0.00 0.00 -0.26 1.51 0.09 0.00 0.00 178.83 180.17 3kk2 n ILE 270 N -2.84 0.00 -2.96 1.86 0.13 -0.90 0.52 119.36 115.16 3kk2 n ILE 270 Ca 0.02 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.25 3kk2 n ILE 270 Cb 0.33 -0.11 -0.05 0.00 -0.84 0.00 0.00 39.64 38.97 3kk2 n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3kk2 s TYR 271 N -0.96 3.15 0.42 9.51 2.02 -0.72 -4.73 117.35 126.04 3kk2 s TYR 271 Ca 0.00 0.64 -0.24 0.00 -0.37 0.00 0.00 57.07 57.10 3kk2 s TYR 271 Cb 0.00 -3.31 -0.08 0.00 -0.40 0.00 0.00 41.96 38.17 3kk2 s TYR 271 CO 0.00 -0.66 1.15 -1.25 -1.57 0.00 0.00 175.55 173.22 3kk2 s PRO 272 N 3.01 3.95 -0.19 -1.71 0.04 -1.26 -4.02 135.00 134.83 3kk2 s PRO 272 Ca 0.31 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3kk2 s PRO 272 Cb -0.14 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3kk2 s PRO 272 CO 0.15 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3kk2 n GLY 273 N 0.51 0.53 3.76 0.56 0.00 -1.26 -5.01 105.19 104.29 3kk2 n GLY 273 Ca 0.06 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 3kk2 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk2 s ILE 274 N -2.04 2.84 -0.01 -0.61 -1.09 -1.26 -4.93 121.20 114.10 3kk2 s ILE 274 Ca 0.00 0.82 0.01 0.00 -2.23 0.00 0.00 60.65 59.26 3kk2 s ILE 274 Cb 0.00 -3.52 -0.00 0.00 -1.58 0.00 0.00 42.46 37.35 3kk2 s ILE 274 CO 0.00 0.19 -0.05 -0.54 -1.23 0.00 0.00 174.94 173.31 3kk2 s LYS 275 N -1.57 0.41 -0.03 2.79 1.02 -1.26 -4.91 119.74 116.18 3kk2 s LYS 275 Ca 0.49 -0.17 0.04 0.00 0.02 0.00 0.00 55.97 56.36 3kk2 s LYS 275 Cb -0.39 -0.40 0.06 0.00 -0.52 0.00 0.00 37.83 36.58 3kk2 s LYS 275 CO 0.50 0.09 0.96 1.33 -0.92 0.00 0.00 175.35 177.31 3kk2 n VAL 276 N 3.03 0.43 0.34 3.17 0.24 -1.26 -4.86 118.33 119.42 3kk2 n VAL 276 Ca -0.14 -0.51 -0.17 0.00 -2.04 0.00 0.00 64.34 61.49 3kk2 n VAL 276 Cb 0.58 0.42 -0.08 0.00 -1.47 0.00 0.00 33.84 33.29 3kk2 n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3kk2 h ARG 277 N 0.00 -0.82 -0.69 7.34 9.65 -1.96 0.37 114.38 128.26 3kk2 h ARG 277 Ca 0.00 0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 58.87 3kk2 h ARG 277 Cb 1.22 0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 29.95 3kk2 h ARG 277 CO 0.00 -0.51 0.15 1.96 2.80 0.00 0.00 179.97 184.37 3kk2 h GLN 278 N -0.98 1.11 0.34 0.20 1.08 -1.90 0.19 115.11 115.14 3kk2 h GLN 278 Ca -0.09 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 56.83 3kk2 h GLN 278 Cb 0.69 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3kk2 h GLN 278 CO 0.14 0.98 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.77 3kk2 h LEU 279 N 1.05 -0.39 -1.47 1.46 3.38 -1.85 -2.99 115.31 114.51 3kk2 h LEU 279 Ca 0.22 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.26 3kk2 h LEU 279 Cb 0.38 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3kk2 h LEU 279 CO 0.00 -0.18 0.52 0.28 0.09 0.00 0.00 178.44 179.15 3kk2 h SER 280 N -0.57 0.50 -0.30 -0.43 0.02 0.27 -2.02 113.55 111.01 3kk2 h SER 280 Ca -0.05 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3kk2 h SER 280 Cb 0.42 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 3kk2 h SER 280 CO 0.08 0.26 0.04 0.11 -1.14 0.00 0.00 176.83 176.18 3kk2 h LYS 281 N 0.53 0.13 -1.54 3.45 1.57 -0.49 -0.90 116.57 119.33 3kk2 h LYS 281 Ca 0.39 -0.01 0.47 0.00 -1.87 0.00 0.00 60.65 59.63 3kk2 h LYS 281 Cb 0.74 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.92 3kk2 h LYS 281 CO -0.14 0.09 1.06 -0.07 -0.57 0.00 0.00 179.45 179.82 3kk2 h LEU 282 N 0.14 0.12 0.00 2.94 4.07 -1.32 -0.53 115.31 120.74 3kk2 h LEU 282 Ca 0.14 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.17 3kk2 h LEU 282 Cb 0.17 0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3kk2 h LEU 282 CO -0.20 -0.09 0.00 -0.11 -1.08 0.00 0.00 178.44 176.96 3kk2 n LEU 283 N -4.35 0.00 0.00 1.67 -0.00 -0.34 -4.61 117.00 109.38 3kk2 n LEU 283 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.39 3kk2 n LEU 283 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 45.04 3kk2 n LEU 283 CO 0.32 0.00 0.04 -1.14 -0.00 0.00 0.00 177.39 176.61 3kk2 n ARG 284 N -0.78 0.00 0.12 1.96 3.00 -0.21 -4.31 116.66 116.44 3kk2 n ARG 284 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.90 3kk2 n ARG 284 Cb 0.03 -0.44 0.04 0.00 0.00 0.00 0.00 32.46 32.08 3kk2 n ARG 284 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3kk2 h GLY 285 N 0.00 0.00 -3.65 5.14 0.00 -1.86 -3.47 103.07 99.23 3kk2 h GLY 285 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 3kk2 h GLY 285 CO 0.00 0.00 -0.48 -1.30 0.00 0.00 0.00 176.54 174.76 3kk2 n THR 286 N -3.38 1.25 0.53 4.70 -2.24 -1.26 -4.90 114.28 108.98 3kk2 n THR 286 Ca 0.01 -0.38 0.06 0.00 -2.27 0.00 0.00 64.05 61.47 3kk2 n THR 286 Cb 0.76 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 3kk2 n THR 286 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kk2 n LYS 287 N 0.82 2.06 -3.79 -0.78 5.02 -1.26 -4.99 118.16 115.24 3kk2 n LYS 287 Ca 0.12 -0.61 -0.13 0.00 -2.02 0.00 0.00 58.31 55.67 3kk2 n LYS 287 Cb 0.22 -1.14 -0.14 0.00 -0.02 0.00 0.00 35.03 33.95 3kk2 n LYS 287 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kk2 s ALA 288 N -1.58 -0.19 0.51 7.82 0.00 -1.26 -5.00 121.76 122.06 3kk2 s ALA 288 Ca 0.09 0.45 0.38 0.00 0.00 0.00 0.00 51.96 52.89 3kk2 s ALA 288 Cb 0.10 -0.30 1.55 0.00 0.00 0.00 0.00 23.12 24.46 3kk2 s ALA 288 CO 0.31 -0.11 1.67 1.25 0.00 0.00 0.00 175.76 178.89 3kk2 h LEU 289 N 6.78 0.10 0.00 0.00 5.85 -1.95 0.43 115.31 126.53 3kk2 h LEU 289 Ca -0.37 0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.20 3kk2 h LEU 289 Cb 1.16 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 3kk2 h LEU 289 CO 0.44 -0.04 -1.32 0.71 -0.34 0.00 0.00 178.44 177.89 3kk2 h THR 290 N 0.06 0.77 -0.17 1.05 1.35 -1.95 0.16 112.91 114.18 3kk2 h THR 290 Ca 0.77 -2.36 -0.53 0.00 -0.55 0.00 0.00 66.41 63.74 3kk2 h THR 290 Cb 2.83 2.27 -0.07 0.00 -1.73 0.00 0.00 68.15 71.45 3kk2 h THR 290 CO -0.15 0.44 1.69 1.21 -0.25 0.00 0.00 175.52 178.46 3kk2 n GLU 291 N -3.03 0.12 -2.20 4.72 2.13 0.15 -4.45 120.64 118.08 3kk2 n GLU 291 Ca -0.09 0.01 -0.40 0.00 0.66 0.00 0.00 57.16 57.34 3kk2 n GLU 291 Cb 0.89 -1.69 -0.02 0.00 0.27 0.00 0.00 31.44 30.89 3kk2 n GLU 291 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kk2 s VAL 292 N 8.90 2.92 -0.04 6.31 0.11 -1.26 -1.91 120.40 135.43 3kk2 s VAL 292 Ca 1.30 0.88 0.01 0.00 -2.93 0.00 0.00 61.98 61.25 3kk2 s VAL 292 Cb -1.18 -3.55 0.02 0.00 -1.53 0.00 0.00 36.38 30.14 3kk2 s VAL 292 CO 0.49 0.18 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.77 3kk2 s ILE 293 N -1.21 0.48 0.24 7.04 1.01 -0.64 -4.90 121.20 123.22 3kk2 s ILE 293 Ca 0.51 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 3kk2 s ILE 293 Cb -0.36 -0.50 -0.09 0.00 0.01 0.00 0.00 42.46 41.51 3kk2 s ILE 293 CO 0.48 0.21 1.21 -2.16 0.00 0.00 0.00 174.94 174.67 3kk2 s PRO 294 N 0.84 4.49 0.35 2.79 0.04 -1.26 -4.38 135.00 137.87 3kk2 s PRO 294 Ca -0.11 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 3kk2 s PRO 294 Cb -0.14 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 3kk2 s PRO 294 CO 0.00 -0.05 1.24 -0.51 0.04 0.00 0.00 177.00 177.72 3kk2 s LEU 295 N -0.83 4.36 0.53 -3.56 1.43 -1.26 -5.03 118.68 114.32 3kk2 s LEU 295 Ca 0.50 2.54 -0.16 0.00 -1.03 0.00 0.00 54.13 55.98 3kk2 s LEU 295 Cb -0.34 -3.78 -0.07 0.00 0.03 0.00 0.00 46.19 42.03 3kk2 s LEU 295 CO 0.41 -0.56 1.00 0.42 0.23 0.00 0.00 176.35 177.85 3kk2 s THR 296 N -1.23 4.46 0.55 5.49 -4.23 -1.26 -4.84 115.64 114.58 3kk2 s THR 296 Ca 0.51 1.14 0.24 0.00 -1.18 0.00 0.00 61.69 62.41 3kk2 s THR 296 Cb -0.36 -3.69 0.35 0.00 1.34 0.00 0.00 72.50 70.14 3kk2 s THR 296 CO 0.47 -0.71 2.08 -0.33 -0.54 0.00 0.00 174.62 175.60 3kk2 h GLU 297 N 0.75 0.00 0.08 3.99 5.08 -1.98 0.65 114.58 123.15 3kk2 h GLU 297 Ca -0.47 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.55 3kk2 h GLU 297 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 3kk2 h GLU 297 CO 0.61 0.00 -1.96 -0.85 -1.00 0.00 0.00 179.01 175.81 3kk2 n GLU 298 N -4.19 0.71 -0.29 2.33 0.00 -1.26 -1.73 120.64 116.21 3kk2 n GLU 298 Ca 0.03 0.26 -0.04 0.00 0.00 0.00 0.00 57.16 57.40 3kk2 n GLU 298 Cb 0.35 -1.72 0.10 0.00 0.00 0.00 0.00 31.44 30.17 3kk2 n GLU 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kk2 h ALA 299 N 0.37 1.15 -0.58 -1.84 0.00 -1.67 0.64 119.26 117.33 3kk2 h ALA 299 Ca -0.40 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.41 3kk2 h ALA 299 Cb 2.03 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 3kk2 h ALA 299 CO 0.07 0.64 0.28 1.49 0.00 0.00 0.00 179.25 181.74 3kk2 h GLU 300 N 1.16 0.51 -0.05 0.00 4.81 0.27 -0.66 114.58 120.62 3kk2 h GLU 300 Ca 0.28 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3kk2 h GLU 300 Cb 0.12 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3kk2 h GLU 300 CO -0.04 0.34 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.44 3kk2 h LEU 301 N 0.53 0.15 -0.45 1.64 -0.00 -0.78 -2.74 115.31 113.66 3kk2 h LEU 301 Ca 0.27 -0.54 0.09 0.00 -0.00 0.00 0.00 57.88 57.70 3kk2 h LEU 301 Cb 0.21 -0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 40.74 3kk2 h LEU 301 CO -0.20 0.66 -0.14 -0.08 -0.00 0.00 0.00 178.44 178.68 3kk2 h GLU 302 N -0.35 -0.03 -0.54 1.13 4.81 0.49 -0.13 114.58 119.96 3kk2 h GLU 302 Ca 0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3kk2 h GLU 302 Cb 0.63 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 3kk2 h GLU 302 CO 0.02 -0.02 0.34 1.25 -0.73 0.00 0.00 179.01 179.87 3kk2 h LEU 303 N -0.03 0.56 -0.93 1.64 5.85 -1.14 -0.46 115.31 120.80 3kk2 h LEU 303 Ca 0.22 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.02 3kk2 h LEU 303 Cb 0.36 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 3kk2 h LEU 303 CO -0.48 0.40 0.58 0.00 -0.34 0.00 0.00 178.44 178.60 3kk2 h ALA 304 N 1.22 1.32 -0.30 1.25 0.00 -1.00 0.97 119.26 122.73 3kk2 h ALA 304 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3kk2 h ALA 304 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3kk2 h ALA 304 CO -0.08 0.29 0.08 0.93 0.00 0.00 0.00 179.25 180.47 3kk2 h GLU 305 N 1.01 0.48 -0.81 0.00 5.08 0.43 -1.94 114.58 118.82 3kk2 h GLU 305 Ca 0.42 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 3kk2 h GLU 305 Cb 0.27 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3kk2 h GLU 305 CO -0.21 0.55 0.36 -0.91 -1.00 0.00 0.00 179.01 177.80 3kk2 h ASN 306 N 0.32 1.08 -0.62 1.42 -0.26 -0.77 -2.66 115.58 114.09 3kk2 h ASN 306 Ca 0.09 -0.15 0.07 0.00 -0.56 0.00 0.00 56.30 55.76 3kk2 h ASN 306 Cb 0.28 -0.28 -0.06 0.00 -1.06 0.00 0.00 38.32 37.20 3kk2 h ASN 306 CO 0.00 0.93 0.29 0.03 -1.06 0.00 0.00 177.43 177.63 3kk2 h ARG 307 N 1.16 0.52 -0.04 0.81 3.08 -0.26 -1.70 114.38 117.95 3kk2 h ARG 307 Ca 0.28 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.18 3kk2 h ARG 307 Cb 0.16 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3kk2 h ARG 307 CO -0.03 0.34 -0.49 0.93 -1.07 0.00 0.00 179.97 179.66 3kk2 h GLU 308 N 0.53 0.09 0.00 0.04 4.39 -1.19 -2.99 114.58 115.45 3kk2 h GLU 308 Ca 0.29 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.88 3kk2 h GLU 308 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3kk2 h GLU 308 CO -0.23 0.56 -0.32 0.97 -1.16 0.00 0.00 179.01 178.83 3kk2 h ILE 309 N 0.07 0.58 0.00 3.13 6.09 -1.02 -2.88 117.51 123.49 3kk2 h ILE 309 Ca 0.00 -1.68 -0.11 0.00 -1.37 0.00 0.00 64.86 61.70 3kk2 h ILE 309 Cb 0.89 2.18 -0.02 0.00 0.47 0.00 0.00 36.82 40.34 3kk2 h ILE 309 CO 0.07 0.31 -0.50 -0.07 -3.07 0.00 0.00 178.15 174.89 3kk2 h LEU 310 N 0.00 0.00 -1.08 2.19 3.38 -1.21 -3.14 115.31 115.45 3kk2 h LEU 310 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kk2 h LEU 310 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3kk2 h LEU 310 CO 0.04 0.50 0.05 0.29 0.09 0.00 0.00 178.44 179.42 3kk2 n LYS 311 N -3.37 0.11 -3.44 1.13 5.02 -1.09 -4.69 118.16 111.83 3kk2 n LYS 311 Ca 0.01 0.59 -0.36 0.00 -2.02 0.00 0.00 58.31 56.53 3kk2 n LYS 311 Cb 0.66 -1.90 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 3kk2 n LYS 311 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kk2 s GLU 312 N -3.40 3.94 -0.36 1.97 8.01 -1.19 -5.05 118.70 122.64 3kk2 s GLU 312 Ca -0.02 0.43 -0.29 0.00 0.01 0.00 0.00 54.97 55.10 3kk2 s GLU 312 Cb 0.05 -3.08 0.01 0.00 -4.31 0.00 0.00 34.13 26.80 3kk2 s GLU 312 CO 0.15 0.59 1.27 -1.25 0.01 0.00 0.00 175.26 176.03 3kk2 s PRO 313 N -1.55 3.83 0.04 0.39 0.04 -1.26 -5.03 135.00 131.45 3kk2 s PRO 313 Ca 0.31 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.44 3kk2 s PRO 313 Cb -0.16 -3.90 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 3kk2 s PRO 313 CO 0.17 -1.24 -0.12 0.54 0.04 0.00 0.00 177.00 176.39 3kk2 s VAL 314 N 4.54 0.94 0.40 -0.36 0.11 -1.26 -5.16 120.40 119.61 3kk2 s VAL 314 Ca 0.55 -0.94 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 3kk2 s VAL 314 Cb -0.14 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 3kk2 s VAL 314 CO 0.26 -0.06 0.16 -1.38 -3.33 0.00 0.00 175.10 170.75 3kk2 s HIS 315 N -0.88 1.77 0.45 1.54 -3.43 -1.26 -4.80 115.29 108.69 3kk2 s HIS 315 Ca -0.00 -1.37 0.04 0.00 -0.80 0.00 0.00 55.06 52.92 3kk2 s HIS 315 Cb -0.08 -1.08 -0.04 0.00 -1.43 0.00 0.00 32.58 29.95 3kk2 s HIS 315 CO 0.01 -0.41 0.03 0.20 -2.00 0.00 0.00 174.74 172.56 3kk2 s GLY 316 N -3.58 2.72 0.33 -1.38 0.00 0.16 -4.77 107.32 100.81 3kk2 s GLY 316 Ca 0.26 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.79 3kk2 s GLY 316 CO 0.17 -2.09 -0.04 -1.34 0.00 0.00 0.00 173.10 169.80 3kk2 s VAL 317 N -2.90 1.82 0.46 1.40 -7.23 -0.53 -1.82 120.40 111.60 3kk2 s VAL 317 Ca 0.20 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 3kk2 s VAL 317 Cb 0.05 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 3kk2 s VAL 317 CO 0.10 -0.16 0.74 -0.31 -0.31 0.00 0.00 175.10 175.16 3kk2 s TYR 318 N -2.87 3.52 -0.00 2.82 1.51 -1.26 -4.61 117.35 116.45 3kk2 s TYR 318 Ca 0.33 0.69 -0.21 0.00 -1.01 0.00 0.00 57.07 56.86 3kk2 s TYR 318 Cb 0.05 -2.25 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 3kk2 s TYR 318 CO 0.15 -0.23 0.61 -0.47 -1.11 0.00 0.00 175.55 174.50 3kk2 s TYR 319 N -2.67 3.68 -0.39 2.71 5.04 0.45 -4.86 117.35 121.32 3kk2 s TYR 319 Ca 0.46 1.22 -0.03 0.00 -2.44 0.00 0.00 57.07 56.29 3kk2 s TYR 319 Cb -0.10 -2.63 0.10 0.00 0.35 0.00 0.00 41.96 39.68 3kk2 s TYR 319 CO 0.43 0.34 0.17 0.34 -1.34 0.00 0.00 175.55 175.48 3kk2 s ASP 320 N -0.15 5.19 0.58 4.32 -1.08 -1.26 -4.10 116.67 120.17 3kk2 s ASP 320 Ca 0.32 -1.90 0.28 0.00 -0.52 0.00 0.00 52.55 50.73 3kk2 s ASP 320 Cb -0.18 -1.81 1.61 0.00 -1.46 0.00 0.00 42.92 41.08 3kk2 s ASP 320 CO 0.18 -0.49 2.07 -0.65 0.52 0.00 0.00 175.17 176.80 3kk2 h PRO 321 N 8.03 0.00 -2.67 4.34 0.11 -1.99 -2.96 132.00 136.86 3kk2 h PRO 321 Ca -0.14 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.21 3kk2 h PRO 321 Cb 1.05 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.99 3kk2 h PRO 321 CO 0.66 0.00 2.00 0.43 -0.21 0.00 0.00 178.00 180.88 3kk2 n SER 322 N -3.84 7.45 0.00 -2.05 7.64 -1.26 -4.83 113.62 116.72 3kk2 n SER 322 Ca 0.03 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.64 3kk2 n SER 322 Cb 0.37 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 3kk2 n SER 322 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kk2 n LYS 323 N 1.60 0.00 -2.33 1.43 5.02 -1.12 -5.16 118.16 117.59 3kk2 n LYS 323 Ca 0.54 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.48 3kk2 n LYS 323 Cb 0.27 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.27 3kk2 n LYS 323 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kk2 s ASP 324 N 0.00 6.09 -0.19 4.39 1.01 -1.26 -4.95 116.67 121.76 3kk2 s ASP 324 Ca 0.00 2.17 -0.25 0.00 0.71 0.00 0.00 52.55 55.19 3kk2 s ASP 324 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3kk2 s ASP 324 CO 0.00 -0.97 0.82 -0.76 0.21 0.00 0.00 175.17 174.47 3kk2 s LEU 325 N -3.34 4.15 -0.07 1.23 1.43 -1.26 -4.26 118.68 116.55 3kk2 s LEU 325 Ca 0.67 1.12 0.04 0.00 -1.03 0.00 0.00 54.13 54.93 3kk2 s LEU 325 Cb -0.24 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 3kk2 s LEU 325 CO 0.29 -0.42 -0.20 -0.63 0.23 0.00 0.00 176.35 175.61 3kk2 s ILE 326 N 2.31 2.46 -0.15 -0.59 1.01 0.76 0.22 121.20 127.22 3kk2 s ILE 326 Ca 0.37 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.11 3kk2 s ILE 326 Cb -0.16 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.39 3kk2 s ILE 326 CO 0.11 0.57 -0.17 0.00 0.00 0.00 0.00 174.94 175.45 3kk2 s ALA 327 N -0.18 1.99 -0.08 9.38 0.00 -0.11 0.03 121.76 132.80 3kk2 s ALA 327 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3kk2 s ALA 327 Cb -0.14 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 3kk2 s ALA 327 CO 0.04 -0.27 -0.08 -1.83 0.00 0.00 0.00 175.76 173.62 3kk2 s GLU 328 N 1.25 2.86 -0.12 0.00 -1.05 0.22 -0.23 118.70 121.63 3kk2 s GLU 328 Ca 0.01 -0.57 0.02 0.00 -0.15 0.00 0.00 54.97 54.28 3kk2 s GLU 328 Cb -0.14 -2.61 -0.00 0.00 -0.44 0.00 0.00 34.13 30.94 3kk2 s GLU 328 CO -0.08 0.59 -0.19 0.42 0.95 0.00 0.00 175.26 176.95 3kk2 s ILE 329 N -0.61 2.49 -0.01 1.83 1.01 -0.92 -0.63 121.20 124.36 3kk2 s ILE 329 Ca 0.09 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 3kk2 s ILE 329 Cb -0.12 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3kk2 s ILE 329 CO 0.02 0.54 0.06 0.00 0.00 0.00 0.00 174.94 175.56 3kk2 s GLN 330 N 0.46 3.00 0.01 2.79 0.00 0.25 -4.17 119.66 122.00 3kk2 s GLN 330 Ca -0.13 -0.51 -0.30 0.00 -0.00 0.00 0.00 55.36 54.42 3kk2 s GLN 330 Cb -0.17 -2.82 -0.03 0.00 0.00 0.00 0.00 33.01 29.99 3kk2 s GLN 330 CO 0.06 0.65 1.03 0.21 0.00 0.00 0.00 175.29 177.23 3kk2 s LYS 331 N -1.65 4.52 0.00 9.60 2.20 -1.26 -1.41 119.74 131.74 3kk2 s LYS 331 Ca 0.22 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 3kk2 s LYS 331 Cb -0.12 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 3kk2 s LYS 331 CO 0.12 -0.11 0.00 1.04 -0.36 0.00 0.00 175.35 176.04 3kk2 n GLN 332 N 3.97 1.77 0.00 4.03 1.13 0.17 -4.60 117.38 123.86 3kk2 n GLN 332 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 3kk2 n GLN 332 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.85 3kk2 n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kk2 n GLY 333 N 5.00 -1.65 3.34 1.08 0.00 -1.26 -4.45 105.19 107.25 3kk2 n GLY 333 Ca 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 3kk2 n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kk2 n GLN 334 N -0.20 -0.94 -2.84 1.61 3.00 -1.26 0.14 117.38 116.90 3kk2 n GLN 334 Ca 0.00 -0.19 -0.18 0.00 -0.01 0.00 0.00 57.00 56.61 3kk2 n GLN 334 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 30.24 29.99 3kk2 n GLN 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kk2 n GLY 335 N -1.25 -0.50 3.64 1.08 0.00 -1.26 -4.96 105.19 101.93 3kk2 n GLY 335 Ca -0.05 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3kk2 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kk2 s GLN 336 N -5.47 2.82 0.00 1.61 -0.21 0.37 -4.37 119.66 114.42 3kk2 s GLN 336 Ca 0.18 -0.53 -0.01 0.00 0.02 0.00 0.00 55.36 55.03 3kk2 s GLN 336 Cb -0.09 -2.67 -0.01 0.00 1.00 0.00 0.00 33.01 31.24 3kk2 s GLN 336 CO 0.22 0.66 0.01 -1.58 -2.12 0.00 0.00 175.29 172.48 3kk2 s TRP 337 N -0.91 0.10 -0.01 0.91 0.52 0.09 0.44 118.94 120.08 3kk2 s TRP 337 Ca 0.15 -0.19 0.07 0.00 0.02 0.00 0.00 56.10 56.14 3kk2 s TRP 337 Cb -0.11 -0.08 -0.03 0.00 -1.15 0.00 0.00 33.47 32.11 3kk2 s TRP 337 CO 0.04 -0.10 -0.21 0.99 0.02 0.00 0.00 176.95 177.69 3kk2 s THR 338 N -0.66 2.53 0.21 2.01 2.01 -0.50 -1.56 115.64 119.68 3kk2 s THR 338 Ca -0.07 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 60.95 3kk2 s THR 338 Cb -0.05 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 3kk2 s THR 338 CO -0.00 0.50 -0.13 -0.72 -0.69 0.00 0.00 174.62 173.57 3kk2 s TYR 339 N -0.74 1.71 -0.01 4.92 1.13 -0.85 0.85 117.35 124.36 3kk2 s TYR 339 Ca 0.12 -0.60 0.01 0.00 -1.41 0.00 0.00 57.07 55.19 3kk2 s TYR 339 Cb -0.10 -0.82 0.00 0.00 -1.10 0.00 0.00 41.96 39.94 3kk2 s TYR 339 CO 0.01 0.33 -0.03 -0.65 -2.51 0.00 0.00 175.55 172.70 3kk2 s GLN 340 N -3.66 0.31 -0.10 -3.49 -0.21 0.20 -1.83 119.66 110.88 3kk2 s GLN 340 Ca 0.23 -0.10 0.04 0.00 0.02 0.00 0.00 55.36 55.54 3kk2 s GLN 340 Cb -0.00 -0.33 -0.00 0.00 1.00 0.00 0.00 33.01 33.68 3kk2 s GLN 340 CO 0.07 0.05 -0.22 0.42 -2.12 0.00 0.00 175.29 173.48 3kk2 s ILE 341 N 0.09 2.25 0.31 1.08 1.01 0.22 -0.61 121.20 125.55 3kk2 s ILE 341 Ca -0.01 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 3kk2 s ILE 341 Cb -0.03 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.59 3kk2 s ILE 341 CO -0.00 0.56 0.62 -0.72 0.00 0.00 0.00 174.94 175.40 3kk2 s TYR 342 N 0.26 0.28 0.00 3.97 1.13 0.10 0.88 117.35 123.97 3kk2 s TYR 342 Ca -0.15 -0.73 0.00 0.00 -1.41 0.00 0.00 57.07 54.78 3kk2 s TYR 342 Cb -0.17 0.45 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 3kk2 s TYR 342 CO 0.08 -1.24 0.00 1.04 -2.51 0.00 0.00 175.55 172.92 3kk2 n GLN 343 N -0.47 0.00 -3.91 -3.49 6.02 -1.26 -0.17 117.38 114.09 3kk2 n GLN 343 Ca -0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.61 3kk2 n GLN 343 Cb 0.61 -0.75 -0.05 0.00 1.02 0.00 0.00 30.24 31.06 3kk2 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kk2 s GLU 344 N -1.90 3.42 0.16 -1.09 2.02 -1.26 -4.86 118.70 115.18 3kk2 s GLU 344 Ca 0.00 -0.26 -0.25 0.00 0.02 0.00 0.00 54.97 54.48 3kk2 s GLU 344 Cb 0.00 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 31.14 3kk2 s GLU 344 CO 0.00 0.71 1.59 -1.35 0.02 0.00 0.00 175.26 176.24 3kk2 h PRO 345 N 4.26 -0.29 -0.47 0.39 0.11 -2.02 -2.38 132.00 131.60 3kk2 h PRO 345 Ca -0.51 0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.39 3kk2 h PRO 345 Cb 1.20 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 3kk2 h PRO 345 CO 0.65 -0.19 0.06 1.19 -0.21 0.00 0.00 178.00 179.49 3kk2 n PHE 346 N -5.42 1.45 -3.88 0.65 3.01 -1.26 -4.75 117.46 107.27 3kk2 n PHE 346 Ca -0.00 -1.61 -0.30 0.00 1.01 0.00 0.00 57.45 56.55 3kk2 n PHE 346 Cb 0.34 -0.57 -0.13 0.00 -0.01 0.00 0.00 39.48 39.11 3kk2 n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kk2 s LYS 347 N -3.24 1.89 0.34 -1.08 1.02 -0.89 -5.10 119.74 112.68 3kk2 s LYS 347 Ca 0.47 -2.60 -0.29 0.00 0.02 0.00 0.00 55.97 53.57 3kk2 s LYS 347 Cb 0.42 -3.09 -0.11 0.00 -0.52 0.00 0.00 37.83 34.53 3kk2 s LYS 347 CO 0.02 -1.15 1.42 -0.80 -0.92 0.00 0.00 175.35 173.92 3kk2 s ASN 348 N -0.34 6.53 -0.12 2.83 0.01 -1.26 -4.35 114.94 118.24 3kk2 s ASN 348 Ca 0.19 2.88 -0.27 0.00 -0.71 0.00 0.00 52.86 54.95 3kk2 s ASN 348 Cb -0.22 -2.65 -0.23 0.00 0.41 0.00 0.00 41.25 38.56 3kk2 s ASN 348 CO -0.03 -0.74 0.80 0.25 -1.51 0.00 0.00 177.10 175.88 3kk2 h LEU 349 N 3.46 -0.01 -7.93 0.60 5.85 0.21 -1.41 115.31 116.08 3kk2 h LEU 349 Ca -0.49 -0.85 0.10 0.00 0.84 0.00 0.00 57.88 57.47 3kk2 h LEU 349 Cb 1.23 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3kk2 h LEU 349 CO 0.67 0.88 0.45 -1.59 -0.34 0.00 0.00 178.44 178.50 3kk2 s LYS 350 N -2.51 1.64 0.15 1.25 -2.85 -1.11 -3.98 119.74 112.32 3kk2 s LYS 350 Ca -0.17 -1.03 0.02 0.00 -1.00 0.00 0.00 55.97 53.78 3kk2 s LYS 350 Cb -0.02 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.22 3kk2 s LYS 350 CO 0.64 -0.77 0.07 0.25 0.10 0.00 0.00 175.35 175.64 3kk2 n THR 351 N -0.60 0.00 -3.93 3.79 -2.24 0.18 -0.61 114.28 110.87 3kk2 n THR 351 Ca -0.05 -0.91 0.01 0.00 -2.27 0.00 0.00 64.05 60.83 3kk2 n THR 351 Cb 0.60 0.36 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 3kk2 n THR 351 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kk2 s GLY 352 N -1.94 -0.11 -0.02 3.38 0.00 -0.76 -4.20 107.32 103.66 3kk2 s GLY 352 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.84 3kk2 s GLY 352 CO 0.07 4.45 0.05 -1.59 0.00 0.00 0.00 173.10 176.07 3kk2 s LYS 353 N -2.10 -0.01 -0.20 2.90 -2.85 -1.26 -2.01 119.74 114.21 3kk2 s LYS 353 Ca 0.26 0.19 -0.03 0.00 -1.00 0.00 0.00 55.97 55.39 3kk2 s LYS 353 Cb -0.00 -0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.55 3kk2 s LYS 353 CO 0.00 -0.15 -0.05 -0.47 0.10 0.00 0.00 175.35 174.79 3kk2 s TYR 354 N 0.94 2.95 0.00 1.78 5.04 -0.60 -4.96 117.35 122.50 3kk2 s TYR 354 Ca -0.08 -0.81 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 3kk2 s TYR 354 Cb -0.11 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.14 3kk2 s TYR 354 CO -0.03 -0.44 0.08 0.00 -1.34 0.00 0.00 175.55 173.82 3kk2 n ALA 355 N 4.49 0.82 -1.73 3.97 0.00 -1.26 -0.73 120.51 126.06 3kk2 n ALA 355 Ca -0.18 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 3kk2 n ALA 355 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 3kk2 n ALA 355 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kk2 n ARG 356 N -0.21 2.40 -3.50 0.00 0.63 -1.26 -4.69 116.66 110.02 3kk2 n ARG 356 Ca 0.00 0.85 -0.42 0.00 -0.92 0.00 0.00 57.85 57.35 3kk2 n ARG 356 Cb 0.07 -2.53 -0.10 0.00 0.45 0.00 0.00 32.46 30.35 3kk2 n ARG 356 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 3kk2 s MET 357 N -1.44 2.98 -0.16 -0.14 -2.45 -1.26 -5.04 119.30 111.80 3kk2 s MET 357 Ca 0.58 -1.00 -0.12 0.00 -1.25 0.00 0.00 55.69 53.90 3kk2 s MET 357 Cb -0.54 -3.91 -0.05 0.00 1.25 0.00 0.00 34.83 31.58 3kk2 s MET 357 CO 0.58 -0.71 0.23 1.03 1.05 0.00 0.00 175.02 177.20 3kk2 s ARG 358 N 1.66 4.10 0.00 4.11 1.81 -1.26 -5.00 118.95 124.37 3kk2 s ARG 358 Ca 0.04 -0.01 0.00 0.00 -1.72 0.00 0.00 55.73 54.04 3kk2 s ARG 358 Cb -0.19 -3.38 0.00 0.00 -0.45 0.00 0.00 34.95 30.93 3kk2 s ARG 358 CO 0.09 0.36 0.00 0.41 -0.68 0.00 0.00 175.30 175.49 3kk2 n GLY 359 N 3.12 0.72 0.20 -3.53 0.00 -1.26 -4.80 105.19 99.65 3kk2 n GLY 359 Ca -0.14 -1.42 -0.03 0.00 0.00 0.00 0.00 46.02 44.42 3kk2 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk2 h ALA 360 N 0.00 0.63 -4.11 4.61 0.00 -1.96 -3.44 119.26 114.99 3kk2 h ALA 360 Ca 0.00 0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.43 3kk2 h ALA 360 Cb 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 17.53 3kk2 h ALA 360 CO 0.00 -0.18 -0.83 -1.01 0.00 0.00 0.00 179.25 177.24 3kk2 s HIS 361 N -6.13 1.55 0.15 0.00 3.76 -1.26 -1.89 115.29 111.47 3kk2 s HIS 361 Ca -0.13 -0.33 -0.24 0.00 -0.15 0.00 0.00 55.06 54.21 3kk2 s HIS 361 Cb 0.14 -0.96 0.08 0.00 1.11 0.00 0.00 32.58 32.95 3kk2 s HIS 361 CO 0.73 0.03 1.03 -0.08 -0.85 0.00 0.00 174.74 175.60 3kk2 s THR 362 N -0.62 0.00 0.37 1.30 -1.32 -0.96 -5.01 115.64 109.39 3kk2 s THR 362 Ca 0.06 -0.58 0.06 0.00 -1.21 0.00 0.00 61.69 60.01 3kk2 s THR 362 Cb -0.08 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 3kk2 s THR 362 CO 0.01 0.00 0.21 0.54 -2.21 0.00 0.00 174.62 173.17 3kk2 s ASN 363 N -3.18 2.17 0.32 8.08 2.20 -1.26 -0.54 114.94 122.73 3kk2 s ASN 363 Ca 0.17 -1.73 0.08 0.00 -0.94 0.00 0.00 52.86 50.44 3kk2 s ASN 363 Cb -0.01 0.56 0.53 0.00 -2.00 0.00 0.00 41.25 40.32 3kk2 s ASN 363 CO 0.03 -1.02 1.74 0.44 -2.94 0.00 0.00 177.10 175.35 3kk2 h ASP 364 N 1.97 0.18 0.50 3.54 3.32 -1.91 -2.86 116.42 121.16 3kk2 h ASP 364 Ca -0.29 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.55 3kk2 h ASP 364 Cb 1.25 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3kk2 h ASP 364 CO 0.45 0.56 -0.59 0.58 -1.72 0.00 0.00 179.24 178.52 3kk2 h VAL 365 N 0.15 1.41 -0.14 -1.35 2.07 -1.96 -0.35 116.25 116.07 3kk2 h VAL 365 Ca 0.01 -2.00 -0.04 0.00 0.82 0.00 0.00 66.70 65.49 3kk2 h VAL 365 Cb 0.77 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3kk2 h VAL 365 CO 0.06 0.58 -0.07 0.11 0.02 0.00 0.00 177.57 178.27 3kk2 h LYS 366 N 0.07 0.30 -0.10 1.57 1.57 -1.95 -2.46 116.57 115.57 3kk2 h LYS 366 Ca -0.01 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3kk2 h LYS 366 Cb 1.07 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3kk2 h LYS 366 CO 0.08 0.63 0.06 1.96 -0.57 0.00 0.00 179.45 181.62 3kk2 h GLN 367 N -0.04 0.13 -0.91 3.15 4.20 -1.35 -0.63 115.11 119.65 3kk2 h GLN 367 Ca 0.03 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.85 3kk2 h GLN 367 Cb 0.54 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.22 3kk2 h GLN 367 CO 0.02 0.08 0.59 1.25 -0.67 0.00 0.00 178.83 180.10 3kk2 h LEU 368 N 0.13 0.78 -1.22 1.46 7.12 -1.10 0.42 115.31 122.90 3kk2 h LEU 368 Ca 0.04 0.03 -0.08 0.00 0.13 0.00 0.00 57.88 58.00 3kk2 h LEU 368 Cb -0.01 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 39.98 3kk2 h LEU 368 CO -0.01 0.43 -0.37 0.74 -0.13 0.00 0.00 178.44 179.10 3kk2 h THR 369 N 0.85 1.27 0.07 1.05 2.02 -0.79 -0.85 112.91 116.53 3kk2 h THR 369 Ca 0.44 -1.29 -0.26 0.00 0.77 0.00 0.00 66.41 66.07 3kk2 h THR 369 Cb 0.52 1.67 0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3kk2 h THR 369 CO -0.20 0.37 -1.11 -0.33 0.37 0.00 0.00 175.52 174.62 3kk2 h GLU 370 N 0.04 0.43 -0.19 6.66 5.08 0.11 -1.65 114.58 125.06 3kk2 h GLU 370 Ca 0.00 -0.56 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3kk2 h GLU 370 Cb 0.67 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3kk2 h GLU 370 CO 0.05 1.21 0.11 0.00 -1.00 0.00 0.00 179.01 179.39 3kk2 h ALA 371 N 0.58 0.24 -0.02 3.43 0.00 -0.40 -0.87 119.26 122.21 3kk2 h ALA 371 Ca -0.12 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3kk2 h ALA 371 Cb 1.78 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 3kk2 h ALA 371 CO 0.19 -0.26 -0.20 0.28 0.00 0.00 0.00 179.25 179.26 3kk2 h VAL 372 N 0.23 0.51 -0.27 0.00 2.07 -1.18 -1.84 116.25 115.77 3kk2 h VAL 372 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 3kk2 h VAL 372 Cb 0.01 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 3kk2 h VAL 372 CO -0.01 0.00 -0.42 1.56 0.02 0.00 0.00 177.57 178.72 3kk2 h GLN 373 N -0.32 -0.39 -0.50 1.57 4.20 -1.05 -1.08 115.11 117.54 3kk2 h GLN 373 Ca 0.06 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.82 3kk2 h GLN 373 Cb 0.41 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3kk2 h GLN 373 CO -0.20 -0.26 0.30 -0.22 -0.67 0.00 0.00 178.83 177.78 3kk2 h LYS 374 N -0.40 0.58 -0.50 1.46 3.64 -0.98 -1.89 116.57 118.48 3kk2 h LYS 374 Ca 0.11 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3kk2 h LYS 374 Cb 0.60 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3kk2 h LYS 374 CO -0.49 0.39 0.33 0.82 -2.27 0.00 0.00 179.45 178.23 3kk2 h ILE 375 N 0.60 1.11 -0.17 2.00 2.04 -0.88 -1.81 117.51 120.41 3kk2 h ILE 375 Ca 0.20 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3kk2 h ILE 375 Cb 0.02 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3kk2 h ILE 375 CO -0.09 0.12 0.06 0.74 0.00 0.00 0.00 178.15 178.98 3kk2 h THR 376 N 0.66 1.18 -0.65 -0.27 2.02 -0.40 -1.28 112.91 114.17 3kk2 h THR 376 Ca 0.19 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 3kk2 h THR 376 Cb -0.04 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3kk2 h THR 376 CO -0.04 0.17 0.16 0.74 0.37 0.00 0.00 175.52 176.92 3kk2 h THR 377 N 0.10 1.25 -0.34 3.16 2.02 -1.10 -1.57 112.91 116.43 3kk2 h THR 377 Ca 0.05 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.30 3kk2 h THR 377 Cb 0.21 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3kk2 h THR 377 CO -0.00 0.35 0.14 -0.08 0.37 0.00 0.00 175.52 176.30 3kk2 h GLU 378 N 0.97 0.50 -0.79 6.66 4.81 -1.25 -1.28 114.58 124.20 3kk2 h GLU 378 Ca 0.21 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3kk2 h GLU 378 Cb 0.34 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 3kk2 h GLU 378 CO -0.00 0.49 0.47 0.77 -0.73 0.00 0.00 179.01 180.00 3kk2 h SER 379 N 0.40 0.71 -0.28 1.04 0.02 -1.04 -0.32 113.55 114.08 3kk2 h SER 379 Ca 0.11 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3kk2 h SER 379 Cb 0.17 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3kk2 h SER 379 CO -0.01 0.45 -0.05 0.40 -1.14 0.00 0.00 176.83 176.48 3kk2 h ILE 380 N 0.84 1.23 0.69 3.27 2.04 -0.84 0.70 117.51 125.44 3kk2 h ILE 380 Ca 0.35 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 3kk2 h ILE 380 Cb 0.21 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3kk2 h ILE 380 CO -0.19 0.33 -0.33 0.58 0.00 0.00 0.00 178.15 178.55 3kk2 h VAL 381 N 0.60 0.00 -0.29 1.67 2.07 -0.74 0.73 116.25 120.30 3kk2 h VAL 381 Ca 0.12 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3kk2 h VAL 381 Cb 0.45 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3kk2 h VAL 381 CO 0.02 0.00 0.01 0.40 0.02 0.00 0.00 177.57 178.02 3kk2 h ILE 382 N -1.08 1.25 -0.00 4.57 2.04 -0.79 -3.31 117.51 120.19 3kk2 h ILE 382 Ca -0.09 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3kk2 h ILE 382 Cb 0.71 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3kk2 h ILE 382 CO 0.15 0.29 -0.21 0.79 0.00 0.00 0.00 178.15 179.18 3kk2 n TRP 383 N -4.59 0.00 -3.21 1.37 8.01 0.24 -4.67 117.44 114.58 3kk2 n TRP 383 Ca -0.03 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 55.96 3kk2 n TRP 383 Cb 0.25 0.00 0.05 0.00 -2.01 0.00 0.00 31.31 29.60 3kk2 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kk2 n GLY 384 N 0.89 -0.38 3.84 6.99 0.00 0.25 -4.94 105.19 111.84 3kk2 n GLY 384 Ca 0.03 0.09 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 3kk2 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kk2 s LYS 385 N -5.87 1.85 -0.04 1.61 -2.85 -1.25 -4.94 119.74 108.25 3kk2 s LYS 385 Ca 0.40 -1.19 -0.03 0.00 -1.00 0.00 0.00 55.97 54.15 3kk2 s LYS 385 Cb -0.18 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 3kk2 s LYS 385 CO 0.49 -0.87 0.12 0.99 0.10 0.00 0.00 175.35 176.19 3kk2 s THR 386 N -2.27 5.10 0.50 3.79 2.01 -1.26 -2.97 115.64 120.53 3kk2 s THR 386 Ca 0.18 -0.17 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 3kk2 s THR 386 Cb -0.04 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 3kk2 s THR 386 CO 0.09 0.43 0.91 -2.16 -0.69 0.00 0.00 174.62 173.19 3kk2 s PRO 387 N -1.56 3.78 0.04 4.92 0.04 -1.26 -4.75 135.00 136.22 3kk2 s PRO 387 Ca 0.22 0.68 -0.21 0.00 0.04 0.00 0.00 61.00 61.73 3kk2 s PRO 387 Cb -0.12 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 3kk2 s PRO 387 CO 0.12 -0.25 0.62 0.15 0.04 0.00 0.00 177.00 177.68 3kk2 s LYS 388 N -4.29 4.32 0.30 4.56 1.02 0.13 -4.86 119.74 120.93 3kk2 s LYS 388 Ca 0.54 0.81 0.04 0.00 0.02 0.00 0.00 55.97 57.38 3kk2 s LYS 388 Cb -0.10 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 3kk2 s LYS 388 CO 0.37 0.47 0.45 -0.06 -0.92 0.00 0.00 175.35 175.66 3kk2 s PHE 389 N -0.57 3.40 -0.39 3.18 0.08 -0.87 -0.93 117.98 121.88 3kk2 s PHE 389 Ca 0.32 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.45 3kk2 s PHE 389 Cb -0.19 -1.77 0.13 0.00 -0.57 0.00 0.00 43.02 40.61 3kk2 s PHE 389 CO 0.19 0.23 0.20 0.15 -0.10 0.00 0.00 175.22 175.89 3kk2 s LYS 390 N -4.14 0.98 -0.06 0.44 3.01 0.68 -2.41 119.74 118.23 3kk2 s LYS 390 Ca 0.38 -1.61 -0.02 0.00 -1.01 0.00 0.00 55.97 53.71 3kk2 s LYS 390 Cb -0.09 -2.02 -0.04 0.00 -1.01 0.00 0.00 37.83 34.67 3kk2 s LYS 390 CO 0.32 -1.13 0.05 -0.51 0.51 0.00 0.00 175.35 174.59 3kk2 s LEU 391 N 0.84 3.81 -1.51 3.17 1.43 -0.57 -2.16 118.68 123.69 3kk2 s LEU 391 Ca 0.16 0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.34 3kk2 s LEU 391 Cb -0.22 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 3kk2 s LEU 391 CO -0.06 0.34 2.75 -0.81 0.23 0.00 0.00 176.35 178.80 3kk2 n PRO 392 N 1.76 3.37 -3.68 1.29 -0.04 -1.26 -1.81 135.00 134.64 3kk2 n PRO 392 Ca -0.17 -2.18 -0.09 0.00 -0.04 0.00 0.00 63.50 61.02 3kk2 n PRO 392 Cb 0.53 -2.84 -0.10 0.00 -0.04 0.00 0.00 33.50 31.06 3kk2 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3kk2 s ILE 393 N 2.51 -0.27 0.56 0.52 2.07 -1.26 -0.09 121.20 125.23 3kk2 s ILE 393 Ca 0.63 0.11 -0.20 0.00 -1.41 0.00 0.00 60.65 59.78 3kk2 s ILE 393 Cb 0.17 -0.68 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 3kk2 s ILE 393 CO -0.06 0.05 1.25 -1.10 -1.91 0.00 0.00 174.94 173.17 3kk2 s GLN 394 N 1.90 3.10 0.36 3.50 -1.52 -1.26 -4.59 119.66 121.16 3kk2 s GLN 394 Ca -0.07 1.96 0.11 0.00 -1.95 0.00 0.00 55.36 55.41 3kk2 s GLN 394 Cb -0.09 -2.09 0.90 0.00 -0.22 0.00 0.00 33.01 31.50 3kk2 s GLN 394 CO -0.14 -1.13 1.83 0.87 -0.25 0.00 0.00 175.29 176.47 3kk2 h LYS 395 N 1.20 0.59 -0.14 2.91 6.56 -1.99 -2.55 116.57 123.15 3kk2 h LYS 395 Ca -0.50 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.03 3kk2 h LYS 395 Cb 1.29 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.82 3kk2 h LYS 395 CO 0.56 0.39 0.03 0.93 -2.06 0.00 0.00 179.45 179.30 3kk2 h GLU 396 N 0.61 0.24 -0.91 3.15 3.07 -1.99 -0.96 114.58 117.78 3kk2 h GLU 396 Ca 0.50 -0.06 0.08 0.00 -0.50 0.00 0.00 59.36 59.38 3kk2 h GLU 396 Cb 0.96 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.77 3kk2 h GLU 396 CO -0.25 0.41 0.56 1.15 -1.40 0.00 0.00 179.01 179.49 3kk2 h THR 397 N 0.02 1.01 0.53 1.13 2.02 -1.83 0.05 112.91 115.83 3kk2 h THR 397 Ca 0.04 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 3kk2 h THR 397 Cb 0.29 -0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3kk2 h THR 397 CO 0.00 0.18 -0.25 -0.25 0.37 0.00 0.00 175.52 175.57 3kk2 h TRP 398 N 0.99 -0.66 -0.81 3.16 2.91 -1.31 -1.95 115.95 118.28 3kk2 h TRP 398 Ca 0.41 -0.02 0.15 0.00 1.13 0.00 0.00 58.89 60.57 3kk2 h TRP 398 Cb 0.26 0.22 -0.10 0.00 -0.51 0.00 0.00 29.16 29.03 3kk2 h TRP 398 CO -0.03 -0.33 0.38 0.93 -1.03 0.00 0.00 178.44 178.36 3kk2 h GLU 399 N -0.99 0.52 0.01 2.65 4.39 -0.53 0.40 114.58 121.02 3kk2 h GLU 399 Ca -0.07 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.63 3kk2 h GLU 399 Cb 0.62 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 3kk2 h GLU 399 CO 0.12 0.34 -0.28 1.15 -1.16 0.00 0.00 179.01 179.18 3kk2 h THR 400 N 0.53 0.37 -0.31 1.13 2.02 -1.00 -1.92 112.91 113.73 3kk2 h THR 400 Ca 0.45 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.66 3kk2 h THR 400 Cb 0.67 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3kk2 h THR 400 CO -0.39 0.00 0.12 -0.25 0.37 0.00 0.00 175.52 175.37 3kk2 h TRP 401 N -0.43 0.21 0.00 3.16 2.91 0.48 0.24 115.95 122.52 3kk2 h TRP 401 Ca 0.06 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.03 3kk2 h TRP 401 Cb 0.51 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.10 3kk2 h TRP 401 CO -0.31 0.10 -0.33 0.11 -1.03 0.00 0.00 178.44 176.99 3kk2 h TRP 402 N 0.26 0.00 0.06 2.65 5.08 -0.72 -0.17 115.95 123.11 3kk2 h TRP 402 Ca 0.14 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.93 3kk2 h TRP 402 Cb 0.10 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.27 3kk2 h TRP 402 CO -0.13 0.33 -0.73 1.15 -1.28 0.00 0.00 178.44 177.78 3kk2 h THR 403 N 0.00 1.44 0.00 0.12 2.02 -0.77 -3.33 112.91 112.39 3kk2 h THR 403 Ca -0.00 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.91 3kk2 h THR 403 Cb 0.61 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 3kk2 h THR 403 CO 0.04 0.66 0.00 -0.33 0.37 0.00 0.00 175.52 176.26 3kk2 h GLU 404 N -0.16 0.00 -5.47 6.66 5.08 -0.46 -3.45 114.58 116.78 3kk2 h GLU 404 Ca -0.11 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.66 3kk2 h GLU 404 Cb 1.48 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.62 3kk2 h GLU 404 CO 0.14 0.00 -0.26 -0.47 -1.00 0.00 0.00 179.01 177.42 3kk2 s TYR 405 N -3.64 3.42 -0.95 4.33 5.04 -0.12 -4.95 117.35 120.48 3kk2 s TYR 405 Ca 0.02 0.62 0.23 0.00 -2.44 0.00 0.00 57.07 55.49 3kk2 s TYR 405 Cb 0.09 -2.44 0.96 0.00 0.35 0.00 0.00 41.96 40.92 3kk2 s TYR 405 CO 0.55 0.11 1.73 -2.67 -1.34 0.00 0.00 175.55 173.93 3kk2 n TRP 406 N 4.02 0.12 -3.59 4.97 2.14 -1.26 -4.73 117.44 119.10 3kk2 n TRP 406 Ca -0.10 0.04 -0.29 0.00 2.07 0.00 0.00 57.50 59.22 3kk2 n TRP 406 Cb 0.51 -0.56 -0.04 0.00 -0.81 0.00 0.00 31.31 30.41 3kk2 n TRP 406 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 3kk2 s GLN 407 N -3.03 3.59 0.17 -2.67 -1.52 -1.26 -5.07 119.66 109.88 3kk2 s GLN 407 Ca 0.11 -0.14 -0.30 0.00 -1.95 0.00 0.00 55.36 53.07 3kk2 s GLN 407 Cb 0.14 -2.79 -0.08 0.00 -0.22 0.00 0.00 33.01 30.06 3kk2 s GLN 407 CO 0.43 0.38 1.29 0.00 -0.25 0.00 0.00 175.29 177.14 3kk2 s ALA 408 N -1.84 3.51 0.00 6.09 0.00 -1.26 -5.03 121.76 123.24 3kk2 s ALA 408 Ca 0.41 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 53.30 3kk2 s ALA 408 Cb -0.11 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.55 3kk2 s ALA 408 CO 0.27 -0.51 0.28 -0.08 0.00 0.00 0.00 175.76 175.72 3kk2 s THR 409 N 0.33 0.07 -0.22 0.00 -1.32 -1.26 -5.17 115.64 108.06 3kk2 s THR 409 Ca 0.57 -0.58 -0.22 0.00 -1.21 0.00 0.00 61.69 60.26 3kk2 s THR 409 Cb -0.35 -0.69 0.06 0.00 -1.51 0.00 0.00 72.50 70.01 3kk2 s THR 409 CO 0.36 -0.32 0.62 0.86 -2.21 0.00 0.00 174.62 173.93 3kk2 s TRP 410 N -1.70 -0.68 -0.09 9.09 -0.00 -1.26 -5.04 118.94 119.26 3kk2 s TRP 410 Ca -0.11 1.63 0.04 0.00 -0.00 0.00 0.00 56.10 57.66 3kk2 s TRP 410 Cb -0.04 0.24 -0.01 0.00 -0.00 0.00 0.00 33.47 33.66 3kk2 s TRP 410 CO 0.02 -0.34 -0.22 0.42 -0.00 0.00 0.00 176.95 176.82 3kk2 s ILE 411 N 0.24 2.27 1.12 5.86 1.01 -1.26 -5.00 121.20 125.44 3kk2 s ILE 411 Ca -0.01 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.49 3kk2 s ILE 411 Cb -0.04 -1.87 0.28 0.00 0.01 0.00 0.00 42.46 40.84 3kk2 s ILE 411 CO 0.01 0.56 0.96 -0.81 0.00 0.00 0.00 174.94 175.67 3kk2 n PRO 412 N 3.27 -3.05 -1.62 2.79 -0.05 -1.26 -4.80 135.00 130.28 3kk2 n PRO 412 Ca -0.18 -1.55 -0.61 0.00 -0.05 0.00 0.00 63.50 61.11 3kk2 n PRO 412 Cb 0.53 -1.48 -0.08 0.00 -0.05 0.00 0.00 33.50 32.41 3kk2 n PRO 412 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 3kk2 n GLU 413 N -4.56 0.31 -3.98 0.54 2.13 -1.26 -4.83 120.64 108.98 3kk2 n GLU 413 Ca 0.13 0.11 -0.14 0.00 0.66 0.00 0.00 57.16 57.92 3kk2 n GLU 413 Cb 0.53 -1.65 -0.03 0.00 0.27 0.00 0.00 31.44 30.56 3kk2 n GLU 413 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 3kk2 n TRP 414 N 2.95 -1.56 -3.75 4.31 4.27 -1.26 -2.04 117.44 120.35 3kk2 n TRP 414 Ca 0.24 -2.33 -0.13 0.00 -3.89 0.00 0.00 57.50 51.39 3kk2 n TRP 414 Cb 0.06 0.60 -0.09 0.00 -1.36 0.00 0.00 31.31 30.52 3kk2 n TRP 414 CO 0.00 0.00 0.00 -2.00 -2.29 0.00 0.00 177.69 173.40 3kk2 s GLU 415 N -2.73 0.67 0.54 -2.67 2.12 -1.01 -4.94 118.70 110.68 3kk2 s GLU 415 Ca 0.28 -0.14 -0.17 0.00 0.36 0.00 0.00 54.97 55.30 3kk2 s GLU 415 Cb -0.01 0.30 -0.06 0.00 0.26 0.00 0.00 34.13 34.61 3kk2 s GLU 415 CO 0.20 -0.18 1.03 0.12 -0.54 0.00 0.00 175.26 175.88 3kk2 s PHE 416 N -1.25 3.16 -0.17 5.30 5.36 -1.26 -1.51 117.98 127.61 3kk2 s PHE 416 Ca -0.13 1.51 -0.04 0.00 -0.96 0.00 0.00 56.93 57.31 3kk2 s PHE 416 Cb -0.05 -2.93 0.07 0.00 -0.34 0.00 0.00 43.02 39.76 3kk2 s PHE 416 CO 0.04 -0.78 0.13 0.08 -1.46 0.00 0.00 175.22 173.24 3kk2 s VAL 417 N -2.44 -0.17 -1.52 3.12 1.01 -0.75 -4.80 120.40 114.85 3kk2 s VAL 417 Ca 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3kk2 s VAL 417 Cb -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.67 3kk2 s VAL 417 CO 0.32 -0.22 0.18 0.59 0.00 0.00 0.00 175.10 175.97 3kk2 n ASN 418 N 5.30 0.00 -4.55 3.32 3.02 -1.26 -4.34 115.26 116.74 3kk2 n ASN 418 Ca -0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.10 3kk2 n ASN 418 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 3kk2 n ASN 418 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3kk2 s THR 419 N -1.64 3.45 0.94 3.41 -1.32 -1.26 -4.93 115.64 114.29 3kk2 s THR 419 Ca 0.00 0.25 -0.11 0.00 -1.21 0.00 0.00 61.69 60.62 3kk2 s THR 419 Cb 0.00 -4.20 0.16 0.00 -1.51 0.00 0.00 72.50 66.95 3kk2 s THR 419 CO 0.00 -1.16 1.10 -2.16 -2.21 0.00 0.00 174.62 170.19 3kk2 s PRO 420 N 6.70 0.86 -0.08 7.08 0.04 -1.26 -4.20 135.00 144.15 3kk2 s PRO 420 Ca 0.59 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 3kk2 s PRO 420 Cb -0.11 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 3kk2 s PRO 420 CO 0.19 -2.60 1.41 -1.25 0.04 0.00 0.00 177.00 174.79 3kk2 s PRO 421 N -4.74 4.24 0.69 0.56 0.04 -1.26 -4.86 135.00 129.67 3kk2 s PRO 421 Ca 0.65 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 63.42 3kk2 s PRO 421 Cb -0.21 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.58 3kk2 s PRO 421 CO 0.59 -0.69 1.10 1.28 0.04 0.00 0.00 177.00 179.32 3kk2 n LEU 422 N 6.27 4.50 -4.66 -3.56 4.77 -1.26 -4.55 117.00 118.52 3kk2 n LEU 422 Ca 0.14 0.73 -0.38 0.00 -0.03 0.00 0.00 56.01 56.47 3kk2 n LEU 422 Cb 0.44 -1.47 -0.08 0.00 -2.33 0.00 0.00 43.42 39.98 3kk2 n LEU 422 CO 0.58 -1.63 0.07 -0.69 -1.33 0.00 0.00 177.39 174.39 3kk2 s VAL 423 N -1.66 5.21 0.22 4.08 1.01 0.87 -5.02 120.40 125.10 3kk2 s VAL 423 Ca 0.77 0.63 0.03 0.00 0.00 0.00 0.00 61.98 63.41 3kk2 s VAL 423 Cb -0.36 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3kk2 s VAL 423 CO 0.46 0.24 -0.00 -1.59 0.00 0.00 0.00 175.10 174.21 3kk2 s LYS 424 N 1.45 1.29 -0.18 2.72 -2.85 -1.26 -4.52 119.74 116.38 3kk2 s LYS 424 Ca 0.17 -1.64 -0.21 0.00 -1.00 0.00 0.00 55.97 53.28 3kk2 s LYS 424 Cb -0.15 -0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 35.06 3kk2 s LYS 424 CO 0.08 -0.10 0.66 -0.51 0.10 0.00 0.00 175.35 175.57 3kk2 s LEU 425 N -3.28 4.16 0.00 2.77 1.43 -1.26 -4.69 118.68 117.82 3kk2 s LEU 425 Ca 0.27 0.90 0.21 0.00 -1.03 0.00 0.00 54.13 54.48 3kk2 s LEU 425 Cb 0.06 -2.94 1.04 0.00 0.03 0.00 0.00 46.19 44.37 3kk2 s LEU 425 CO 0.08 -0.28 1.69 0.79 0.23 0.00 0.00 176.35 178.86 3kk2 n TRP 426 N 4.98 0.08 0.00 0.29 7.02 -1.26 -4.87 117.44 123.68 3kk2 n TRP 426 Ca -0.01 -0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 3kk2 n TRP 426 Cb 0.50 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.39 3kk2 n TRP 426 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 3kk2 n TYR 427 N -0.34 0.00 -4.20 -5.99 4.11 -1.26 -4.61 117.16 104.87 3kk2 n TYR 427 Ca 0.16 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.83 3kk2 n TYR 427 Cb 0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.36 3kk2 n TYR 427 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 3kk2 s GLN 428 N -2.00 1.19 0.28 -3.48 2.00 -1.26 -5.05 119.66 111.34 3kk2 s GLN 428 Ca 0.00 -0.20 -0.25 0.00 -2.00 0.00 0.00 55.36 52.91 3kk2 s GLN 428 Cb 0.00 -1.16 -0.09 0.00 0.80 0.00 0.00 33.01 32.56 3kk2 s GLN 428 CO 0.00 -0.11 0.89 -0.51 -0.50 0.00 0.00 175.29 175.06 3kk2 s LEU 429 N 1.10 4.40 0.63 3.68 1.43 -1.26 -4.42 118.68 124.23 3kk2 s LEU 429 Ca -0.08 1.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.63 3kk2 s LEU 429 Cb -0.14 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.23 3kk2 s LEU 429 CO -0.01 -0.00 1.09 -1.61 0.23 0.00 0.00 176.35 176.05 3kk2 s GLU 430 N -1.87 3.01 -0.08 1.70 0.41 0.21 -4.95 118.70 117.13 3kk2 s GLU 430 Ca 0.47 1.34 0.17 0.00 -0.41 0.00 0.00 54.97 56.54 3kk2 s GLU 430 Cb -0.19 -1.98 -0.23 0.00 -1.78 0.00 0.00 34.13 29.95 3kk2 s GLU 430 CO 0.24 -1.08 0.45 0.36 -0.49 0.00 0.00 175.26 174.74 3kk2 n LYS 431 N -2.22 0.66 -4.29 1.61 0.00 -1.26 -4.69 118.16 107.97 3kk2 n LYS 431 Ca 0.10 0.10 -0.29 0.00 -0.00 0.00 0.00 58.31 58.22 3kk2 n LYS 431 Cb 0.52 -1.66 -0.11 0.00 -0.00 0.00 0.00 35.03 33.79 3kk2 n LYS 431 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3kk2 s GLU 432 N -2.75 1.89 0.56 -1.58 0.41 -1.26 -5.08 118.70 110.89 3kk2 s GLU 432 Ca -0.07 -1.18 -0.20 0.00 -0.41 0.00 0.00 54.97 53.11 3kk2 s GLU 432 Cb 0.08 -2.15 -0.04 0.00 -1.78 0.00 0.00 34.13 30.24 3kk2 s GLU 432 CO 0.83 0.47 1.21 -1.25 -0.49 0.00 0.00 175.26 176.03 3kk2 s PRO 433 N -2.31 3.14 -0.21 0.39 0.04 -1.26 -4.92 135.00 129.87 3kk2 s PRO 433 Ca 0.20 1.84 -0.22 0.00 0.04 0.00 0.00 61.00 62.86 3kk2 s PRO 433 Cb -0.10 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3kk2 s PRO 433 CO 0.12 -1.08 0.70 0.42 0.04 0.00 0.00 177.00 177.20 3kk2 s ILE 434 N -1.58 4.96 0.24 0.56 1.01 -1.26 -5.02 121.20 120.11 3kk2 s ILE 434 Ca 0.75 1.31 -0.30 0.00 0.00 0.00 0.00 60.65 62.41 3kk2 s ILE 434 Cb -0.30 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.06 3kk2 s ILE 434 CO 0.34 0.05 1.45 -0.69 0.00 0.00 0.00 174.94 176.09 3kk2 s VAL 435 N 2.23 2.67 -1.05 2.92 1.01 -1.26 -3.32 120.40 123.61 3kk2 s VAL 435 Ca 0.31 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 3kk2 s VAL 435 Cb -0.16 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3kk2 s VAL 435 CO 0.10 0.08 0.89 0.61 0.00 0.00 0.00 175.10 176.78 3kk2 n GLY 436 N 2.37 -0.59 2.91 4.51 0.00 -1.26 -5.04 105.19 108.09 3kk2 n GLY 436 Ca 0.07 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 3kk2 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk2 s ALA 437 N -3.34 -0.19 0.22 4.61 0.00 -1.21 -5.00 121.76 116.84 3kk2 s ALA 437 Ca 0.18 0.43 -0.32 0.00 0.00 0.00 0.00 51.96 52.24 3kk2 s ALA 437 Cb -0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 23.12 22.69 3kk2 s ALA 437 CO 0.68 -0.10 1.64 -1.91 0.00 0.00 0.00 175.76 176.07 3kk2 n GLU 438 N 3.69 2.56 -3.24 0.00 2.13 -1.26 -4.54 120.64 119.97 3kk2 n GLU 438 Ca -0.20 0.92 -0.39 0.00 0.66 0.00 0.00 57.16 58.14 3kk2 n GLU 438 Cb 0.55 -2.72 -0.07 0.00 0.27 0.00 0.00 31.44 29.47 3kk2 n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3kk2 s THR 439 N 0.77 5.10 -0.21 6.31 2.01 -1.26 -2.38 115.64 125.97 3kk2 s THR 439 Ca 0.73 0.94 -0.07 0.00 0.31 0.00 0.00 61.69 63.60 3kk2 s THR 439 Cb -0.56 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 3kk2 s THR 439 CO 0.38 0.15 0.06 -0.36 -0.69 0.00 0.00 174.62 174.16 3kk2 s PHE 440 N 1.82 3.15 -0.37 4.92 0.40 0.21 -1.22 117.98 126.89 3kk2 s PHE 440 Ca 0.23 -0.17 -0.13 0.00 -0.60 0.00 0.00 56.93 56.26 3kk2 s PHE 440 Cb -0.15 -2.14 0.01 0.00 0.51 0.00 0.00 43.02 41.24 3kk2 s PHE 440 CO 0.09 -0.09 0.24 0.71 0.70 0.00 0.00 175.22 176.87 3kk2 s TYR 441 N 0.93 3.23 0.22 0.36 1.51 0.15 0.69 117.35 124.44 3kk2 s TYR 441 Ca 0.03 -0.54 0.08 0.00 -1.01 0.00 0.00 57.07 55.64 3kk2 s TYR 441 Cb -0.14 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 3kk2 s TYR 441 CO 0.03 -0.51 0.01 0.14 -1.11 0.00 0.00 175.55 174.11 3kk2 s VAL 442 N 1.66 3.64 -0.05 0.71 -7.23 0.11 -0.98 120.40 118.25 3kk2 s VAL 442 Ca 0.05 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 3kk2 s VAL 442 Cb -0.18 -2.89 0.11 0.00 0.56 0.00 0.00 36.38 33.98 3kk2 s VAL 442 CO 0.09 -0.24 0.90 -0.62 -0.31 0.00 0.00 175.10 174.91 3kk2 s ASP 443 N -3.33 -0.40 0.12 4.85 -1.08 -0.66 -4.39 116.67 111.78 3kk2 s ASP 443 Ca 0.29 0.19 0.03 0.00 -0.52 0.00 0.00 52.55 52.54 3kk2 s ASP 443 Cb -0.08 0.38 -0.04 0.00 -1.46 0.00 0.00 42.92 41.72 3kk2 s ASP 443 CO 0.19 -0.54 -0.08 -0.83 0.52 0.00 0.00 175.17 174.43 3kk2 s GLY 444 N -1.94 0.89 -0.08 2.66 0.00 -1.26 -1.78 107.32 105.81 3kk2 s GLY 444 Ca 0.01 -1.40 -0.11 0.00 0.00 0.00 0.00 44.72 43.23 3kk2 s GLY 444 CO -0.04 -1.50 0.29 0.00 0.00 0.00 0.00 173.10 171.85 3kk2 s ALA 445 N -3.42 -0.72 -0.02 3.20 0.00 -0.80 -4.76 121.76 115.24 3kk2 s ALA 445 Ca 0.13 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.77 3kk2 s ALA 445 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3kk2 s ALA 445 CO -0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 175.76 175.47 3kk2 s ALA 446 N -0.32 0.89 -0.43 0.00 0.00 -1.26 -1.82 121.76 118.82 3kk2 s ALA 446 Ca -0.04 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 3kk2 s ALA 446 Cb -0.03 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3kk2 s ALA 446 CO 0.01 0.16 1.36 1.21 0.00 0.00 0.00 175.76 178.51 3kk2 s ASN 447 N 0.12 6.38 0.50 0.00 3.84 0.10 -4.77 114.94 121.11 3kk2 s ASN 447 Ca -0.02 0.74 0.22 0.00 0.21 0.00 0.00 52.86 54.00 3kk2 s ASN 447 Cb -0.08 -2.54 1.29 0.00 -0.55 0.00 0.00 41.25 39.37 3kk2 s ASN 447 CO 0.00 -1.42 2.00 0.03 -2.79 0.00 0.00 177.10 174.93 3kk2 h ARG 448 N 10.47 0.10 0.04 0.43 3.08 -1.93 0.50 114.38 127.07 3kk2 h ARG 448 Ca -0.27 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 3kk2 h ARG 448 Cb 1.10 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.13 3kk2 h ARG 448 CO 1.10 0.07 -0.21 1.49 -1.07 0.00 0.00 179.97 181.35 3kk2 h GLU 449 N 0.10 0.08 0.00 0.04 4.81 -1.97 -3.37 114.58 114.27 3kk2 h GLU 449 Ca 0.24 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3kk2 h GLU 449 Cb 0.82 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3kk2 h GLU 449 CO -0.03 1.05 -1.00 0.25 -0.73 0.00 0.00 179.01 178.56 3kk2 n THR 450 N -4.49 0.00 -1.87 0.32 -2.24 -1.06 -4.97 114.28 99.97 3kk2 n THR 450 Ca -0.11 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 3kk2 n THR 450 Cb 0.56 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 3kk2 n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kk2 n LYS 451 N -1.52 -1.08 -4.26 -0.78 4.01 0.17 -4.70 118.16 109.99 3kk2 n LYS 451 Ca 0.04 0.84 -0.35 0.00 -0.51 0.00 0.00 58.31 58.33 3kk2 n LYS 451 Cb 0.34 -5.06 -0.09 0.00 -0.51 0.00 0.00 35.03 29.71 3kk2 n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3kk2 s LEU 452 N -3.74 3.77 0.16 -0.35 1.02 -1.24 0.22 118.68 118.51 3kk2 s LEU 452 Ca 0.00 0.22 -0.00 0.00 0.02 0.00 0.00 54.13 54.37 3kk2 s LEU 452 Cb 0.00 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 3kk2 s LEU 452 CO 0.00 0.38 0.05 -0.83 0.02 0.00 0.00 176.35 175.97 3kk2 s GLY 453 N -0.93 1.14 -0.00 -3.19 0.00 0.07 -0.72 107.32 103.70 3kk2 s GLY 453 Ca 0.14 -1.55 0.04 0.00 0.00 0.00 0.00 44.72 43.35 3kk2 s GLY 453 CO 0.03 -1.43 -0.13 0.54 0.00 0.00 0.00 173.10 172.11 3kk2 s LYS 454 N -4.02 1.04 0.04 2.90 -0.14 -0.75 0.23 119.74 119.03 3kk2 s LYS 454 Ca 0.26 -0.52 0.05 0.00 -1.36 0.00 0.00 55.97 54.40 3kk2 s LYS 454 Cb 0.07 -1.01 -0.02 0.00 -1.68 0.00 0.00 37.83 35.19 3kk2 s LYS 454 CO 0.04 0.27 -0.14 0.00 -0.76 0.00 0.00 175.35 174.76 3kk2 s ALA 455 N -0.41 1.21 -0.00 5.17 0.00 0.11 -1.90 121.76 125.93 3kk2 s ALA 455 Ca 0.04 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 3kk2 s ALA 455 Cb -0.06 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3kk2 s ALA 455 CO -0.00 0.23 0.25 0.41 0.00 0.00 0.00 175.76 176.65 3kk2 n GLY 456 N 1.93 0.56 3.20 0.00 0.00 -0.74 0.13 105.19 110.26 3kk2 n GLY 456 Ca -0.18 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 3kk2 n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kk2 s TYR 457 N -2.88 0.24 -0.04 1.61 -0.85 -0.62 -1.66 117.35 113.16 3kk2 s TYR 457 Ca 0.06 -0.68 0.06 0.00 -0.52 0.00 0.00 57.07 55.99 3kk2 s TYR 457 Cb -0.00 -0.11 -0.02 0.00 0.38 0.00 0.00 41.96 42.20 3kk2 s TYR 457 CO -0.00 -0.54 -0.22 0.08 -1.52 0.00 0.00 175.55 173.35 3kk2 s VAL 458 N -3.88 2.38 0.27 -3.49 1.01 -0.15 -2.24 120.40 114.30 3kk2 s VAL 458 Ca 0.07 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.16 3kk2 s VAL 458 Cb 0.05 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3kk2 s VAL 458 CO -0.10 0.58 0.05 0.42 0.00 0.00 0.00 175.10 176.06 3kk2 s THR 459 N -0.55 3.55 -0.80 3.92 -4.23 -0.16 0.34 115.64 117.71 3kk2 s THR 459 Ca 0.08 -1.80 0.22 0.00 -1.18 0.00 0.00 61.69 59.01 3kk2 s THR 459 Cb -0.11 -2.96 0.21 0.00 1.34 0.00 0.00 72.50 70.98 3kk2 s THR 459 CO 0.00 -0.34 1.68 -0.46 -0.54 0.00 0.00 174.62 174.96 3kk2 n ASN 460 N -0.98 0.34 -0.77 3.99 6.94 -0.35 -2.11 115.26 122.31 3kk2 n ASN 460 Ca -0.06 0.56 0.12 0.00 -0.02 0.00 0.00 54.58 55.18 3kk2 n ASN 460 Cb 0.59 -0.64 0.31 0.00 -2.36 0.00 0.00 39.78 37.68 3kk2 n ASN 460 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3kk2 n ARG 461 N -1.85 2.02 0.00 -3.83 1.74 -1.26 -4.94 116.66 108.54 3kk2 n ARG 461 Ca 0.04 -1.52 0.00 0.00 -0.77 0.00 0.00 57.85 55.60 3kk2 n ARG 461 Cb 0.27 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3kk2 n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kk2 n GLY 462 N 1.28 1.06 3.87 -0.13 0.00 -0.90 -5.09 105.19 105.27 3kk2 n GLY 462 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3kk2 n GLY 462 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kk2 s ARG 463 N -0.56 3.82 -0.26 1.61 1.70 -1.26 -4.88 118.95 119.12 3kk2 s ARG 463 Ca 0.00 0.62 -0.15 0.00 -0.47 0.00 0.00 55.73 55.73 3kk2 s ARG 463 Cb 0.00 -2.30 0.08 0.00 -0.57 0.00 0.00 34.95 32.16 3kk2 s ARG 463 CO 0.00 -0.13 0.65 1.14 -1.08 0.00 0.00 175.30 175.88 3kk2 s GLN 464 N -3.98 0.65 0.04 3.89 -2.07 -1.26 -0.99 119.66 115.94 3kk2 s GLN 464 Ca 0.54 1.18 0.05 0.00 -1.82 0.00 0.00 55.36 55.30 3kk2 s GLN 464 Cb -0.10 0.16 -0.02 0.00 -1.09 0.00 0.00 33.01 31.96 3kk2 s GLN 464 CO 0.32 -0.16 -0.14 0.21 -1.32 0.00 0.00 175.29 174.21 3kk2 s LYS 465 N 1.69 0.96 -0.09 9.60 2.20 -0.95 -5.00 119.74 128.15 3kk2 s LYS 465 Ca -0.10 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 54.79 3kk2 s LYS 465 Cb -0.06 -0.97 0.01 0.00 -1.51 0.00 0.00 37.83 35.30 3kk2 s LYS 465 CO -0.19 0.24 -0.16 0.08 -0.36 0.00 0.00 175.35 174.96 3kk2 s VAL 466 N -0.83 1.47 -0.20 4.02 1.01 -1.26 -1.59 120.40 123.03 3kk2 s VAL 466 Ca 0.02 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 3kk2 s VAL 466 Cb -0.08 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3kk2 s VAL 466 CO 0.01 0.43 0.06 -0.69 0.00 0.00 0.00 175.10 174.92 3kk2 s VAL 467 N 0.68 4.68 0.04 2.92 1.01 0.34 -4.95 120.40 125.11 3kk2 s VAL 467 Ca -0.13 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 3kk2 s VAL 467 Cb -0.16 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 3kk2 s VAL 467 CO 0.04 0.43 0.74 0.42 0.00 0.00 0.00 175.10 176.72 3kk2 s THR 468 N 0.65 4.75 0.20 3.92 -4.23 -1.26 0.05 115.64 119.71 3kk2 s THR 468 Ca 0.03 1.57 0.11 0.00 -1.18 0.00 0.00 61.69 62.22 3kk2 s THR 468 Cb -0.13 -4.08 -0.04 0.00 1.34 0.00 0.00 72.50 69.58 3kk2 s THR 468 CO 0.02 0.38 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.49 3kk2 s LEU 469 N -0.12 2.49 0.05 4.79 1.43 0.13 -4.95 118.68 122.50 3kk2 s LEU 469 Ca 0.37 -0.85 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3kk2 s LEU 469 Cb -0.20 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 3kk2 s LEU 469 CO 0.22 0.11 -0.22 0.28 0.23 0.00 0.00 176.35 176.98 3kk2 s THR 470 N -1.72 1.77 -1.15 5.49 -1.32 -1.26 -0.75 115.64 116.69 3kk2 s THR 470 Ca 0.22 -1.27 -0.03 0.00 -1.21 0.00 0.00 61.69 59.40 3kk2 s THR 470 Cb -0.08 -1.54 0.00 0.00 -1.51 0.00 0.00 72.50 69.38 3kk2 s THR 470 CO 0.11 0.21 0.98 -0.67 -2.21 0.00 0.00 174.62 173.04 3kk2 n ASP 471 N 1.76 -3.63 -3.64 8.08 2.03 0.13 -4.95 116.55 116.34 3kk2 n ASP 471 Ca -0.17 -0.53 -0.20 0.00 0.52 0.00 0.00 54.79 54.41 3kk2 n ASP 471 Cb 0.53 -4.67 -0.04 0.00 -0.72 0.00 0.00 41.12 36.22 3kk2 n ASP 471 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3kk2 n THR 472 N -4.22 0.00 -4.31 5.18 5.66 0.00 -5.03 114.28 111.56 3kk2 n THR 472 Ca -0.15 -1.46 -0.16 0.00 -3.05 0.00 0.00 64.05 59.22 3kk2 n THR 472 Cb 0.61 0.28 -0.10 0.00 -1.55 0.00 0.00 70.33 69.57 3kk2 n THR 472 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3kk2 s THR 473 N -2.11 1.15 0.16 1.09 -4.23 -1.26 -4.68 115.64 105.76 3kk2 s THR 473 Ca 0.01 -2.06 -0.20 0.00 -1.18 0.00 0.00 61.69 58.26 3kk2 s THR 473 Cb -0.00 -2.18 0.07 0.00 1.34 0.00 0.00 72.50 71.73 3kk2 s THR 473 CO 0.00 -0.47 1.64 0.78 -0.54 0.00 0.00 174.62 176.03 3kk2 h ASN 474 N 2.56 -0.68 -0.65 3.99 -0.26 -1.92 -0.79 115.58 117.84 3kk2 h ASN 474 Ca -0.38 0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.51 3kk2 h ASN 474 Cb 1.21 0.35 -0.03 0.00 -1.06 0.00 0.00 38.32 38.79 3kk2 h ASN 474 CO 0.64 -0.24 0.40 1.56 -1.06 0.00 0.00 177.43 178.74 3kk2 h GLN 475 N -0.16 0.88 -0.80 0.81 7.50 -1.97 -1.91 115.11 119.45 3kk2 h GLN 475 Ca 0.17 -0.07 -0.01 0.00 0.50 0.00 0.00 58.65 59.24 3kk2 h GLN 475 Cb 0.42 -0.19 -0.04 0.00 0.05 0.00 0.00 27.48 27.73 3kk2 h GLN 475 CO -0.44 0.61 0.45 0.87 -1.50 0.00 0.00 178.83 178.82 3kk2 h LYS 476 N 0.88 1.12 -0.29 1.46 1.57 -1.79 -0.21 116.57 119.31 3kk2 h LYS 476 Ca 0.23 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3kk2 h LYS 476 Cb -0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 3kk2 h LYS 476 CO -0.05 0.82 -0.00 1.79 -0.57 0.00 0.00 179.45 181.44 3kk2 h THR 477 N 1.11 1.18 0.00 -0.16 1.35 -0.42 0.31 112.91 116.28 3kk2 h THR 477 Ca 0.28 -0.70 -0.18 0.00 -0.55 0.00 0.00 66.41 65.26 3kk2 h THR 477 Cb 0.02 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 67.38 3kk2 h THR 477 CO -0.05 0.24 -0.85 -0.08 -0.25 0.00 0.00 175.52 174.53 3kk2 h GLU 478 N 0.43 0.00 -0.10 4.72 4.57 -0.61 -1.63 114.58 121.96 3kk2 h GLU 478 Ca 0.10 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.10 3kk2 h GLU 478 Cb 0.29 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3kk2 h GLU 478 CO 0.01 0.85 -0.69 -0.07 -1.18 0.00 0.00 179.01 177.93 3kk2 h LEU 479 N 0.00 0.51 -1.06 1.64 3.38 -0.42 -3.00 115.31 116.36 3kk2 h LEU 479 Ca -0.01 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3kk2 h LEU 479 Cb 1.53 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 3kk2 h LEU 479 CO 0.11 1.05 0.34 1.56 0.09 0.00 0.00 178.44 181.59 3kk2 h GLN 480 N 0.30 1.01 -0.22 1.13 1.08 -0.14 -1.92 115.11 116.34 3kk2 h GLN 480 Ca -0.02 -0.14 -0.08 0.00 -1.45 0.00 0.00 58.65 56.96 3kk2 h GLN 480 Cb 1.26 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3kk2 h GLN 480 CO 0.12 0.78 -0.16 0.00 -0.95 0.00 0.00 178.83 178.62 3kk2 h ALA 481 N 1.37 0.32 -0.10 3.87 0.00 -1.27 -1.05 119.26 122.40 3kk2 h ALA 481 Ca 0.25 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kk2 h ALA 481 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kk2 h ALA 481 CO -0.03 0.22 0.07 0.82 0.00 0.00 0.00 179.25 180.33 3kk2 h ILE 482 N 0.20 0.93 -0.01 0.00 2.04 -1.41 -0.93 117.51 118.33 3kk2 h ILE 482 Ca 0.04 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.71 3kk2 h ILE 482 Cb 0.68 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3kk2 h ILE 482 CO 0.04 0.00 -0.86 0.22 0.00 0.00 0.00 178.15 177.55 3kk2 h TYR 483 N 0.00 0.37 -0.31 1.37 3.20 -0.70 -2.95 116.97 117.94 3kk2 h TYR 483 Ca 0.05 -0.20 -0.17 0.00 3.14 0.00 0.00 58.73 61.55 3kk2 h TYR 483 Cb 0.19 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3kk2 h TYR 483 CO 0.00 0.99 -0.49 1.25 -1.64 0.00 0.00 178.16 178.28 3kk2 h LEU 484 N 0.15 0.94 -0.89 2.82 5.85 0.08 -2.07 115.31 122.19 3kk2 h LEU 484 Ca -0.05 -0.48 -0.10 0.00 0.84 0.00 0.00 57.88 58.10 3kk2 h LEU 484 Cb 1.48 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3kk2 h LEU 484 CO 0.14 1.27 -0.26 0.00 -0.34 0.00 0.00 178.44 179.24 3kk2 h ALA 485 N 0.76 1.05 -0.31 1.25 0.00 -1.33 -1.32 119.26 119.36 3kk2 h ALA 485 Ca 0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3kk2 h ALA 485 Cb 1.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kk2 h ALA 485 CO 0.11 0.58 -0.07 -0.07 0.00 0.00 0.00 179.25 179.79 3kk2 h LEU 486 N 0.46 0.60 -0.93 0.00 3.38 -1.38 -2.54 115.31 114.90 3kk2 h LEU 486 Ca 0.06 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.73 3kk2 h LEU 486 Cb 0.70 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3kk2 h LEU 486 CO 0.05 0.83 0.59 1.56 0.09 0.00 0.00 178.44 181.56 3kk2 h GLN 487 N 0.37 1.06 -0.61 1.13 4.20 -1.13 -3.12 115.11 117.01 3kk2 h GLN 487 Ca 0.08 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3kk2 h GLN 487 Cb 0.56 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3kk2 h GLN 487 CO 0.03 0.70 0.00 -0.25 -0.67 0.00 0.00 178.83 178.64 3kk2 n ASP 488 N -4.55 5.39 -4.59 1.46 8.00 -0.52 -4.95 116.55 116.79 3kk2 n ASP 488 Ca 0.14 -2.76 -0.27 0.00 0.71 0.00 0.00 54.79 52.61 3kk2 n ASP 488 Cb 0.16 -0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 40.51 3kk2 n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kk2 s SER 489 N -0.85 3.73 0.70 -2.24 1.04 -0.97 -5.03 113.70 110.09 3kk2 s SER 489 Ca 0.54 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.62 3kk2 s SER 489 Cb 0.39 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3kk2 s SER 489 CO 0.19 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3kk2 n GLY 490 N -0.92 -0.89 0.31 7.32 0.00 -1.26 -4.90 105.19 104.86 3kk2 n GLY 490 Ca -0.05 -1.68 0.20 0.00 0.00 0.00 0.00 46.02 44.49 3kk2 n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kk2 h LEU 491 N 0.00 0.00 -8.19 0.99 4.07 -1.93 -3.41 115.31 106.83 3kk2 h LEU 491 Ca 0.00 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.38 3kk2 h LEU 491 Cb 0.00 0.00 -0.32 0.00 1.08 0.00 0.00 40.66 41.42 3kk2 h LEU 491 CO 0.00 0.02 -0.84 -1.61 -1.08 0.00 0.00 178.44 174.92 3kk2 s GLU 492 N -4.15 2.12 0.04 1.13 2.02 -1.26 0.38 118.70 118.97 3kk2 s GLU 492 Ca -0.04 -0.63 -0.20 0.00 0.02 0.00 0.00 54.97 54.12 3kk2 s GLU 492 Cb 0.13 -1.73 0.04 0.00 0.10 0.00 0.00 34.13 32.67 3kk2 s GLU 492 CO 0.47 0.17 0.46 0.54 0.02 0.00 0.00 175.26 176.92 3kk2 s VAL 493 N 0.30 0.04 -0.14 2.63 0.11 -0.12 -4.39 120.40 118.83 3kk2 s VAL 493 Ca -0.11 -0.36 -0.00 0.00 -2.93 0.00 0.00 61.98 58.58 3kk2 s VAL 493 Cb -0.15 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3kk2 s VAL 493 CO 0.04 -0.20 -0.13 0.20 -3.33 0.00 0.00 175.10 171.69 3kk2 s ASN 494 N -1.96 3.98 -0.11 3.54 0.01 -1.00 -1.91 114.94 117.49 3kk2 s ASN 494 Ca -0.06 -0.36 0.03 0.00 -0.71 0.00 0.00 52.86 51.76 3kk2 s ASN 494 Cb -0.01 -1.62 0.01 0.00 0.41 0.00 0.00 41.25 40.04 3kk2 s ASN 494 CO -0.02 0.13 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.88 3kk2 s ILE 495 N 0.54 1.77 -0.20 0.60 1.01 0.19 0.66 121.20 125.78 3kk2 s ILE 495 Ca -0.08 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 3kk2 s ILE 495 Cb -0.16 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 3kk2 s ILE 495 CO 0.04 0.49 0.03 -0.69 0.00 0.00 0.00 174.94 174.81 3kk2 s VAL 496 N 0.75 4.24 0.11 2.92 1.01 0.22 -1.71 120.40 127.92 3kk2 s VAL 496 Ca -0.10 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3kk2 s VAL 496 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3kk2 s VAL 496 CO 0.01 0.42 -0.20 0.28 0.00 0.00 0.00 175.10 175.61 3kk2 s THR 497 N 0.95 1.66 -0.29 3.92 -1.32 -0.90 -0.71 115.64 118.94 3kk2 s THR 497 Ca 0.02 -1.58 0.11 0.00 -1.21 0.00 0.00 61.69 59.04 3kk2 s THR 497 Cb -0.14 -1.55 0.75 0.00 -1.51 0.00 0.00 72.50 70.04 3kk2 s THR 497 CO 0.02 -0.12 1.76 -0.90 -2.21 0.00 0.00 174.62 173.17 3kk2 n ASP 498 N 0.97 4.97 -3.98 8.08 5.68 -1.26 -1.69 116.55 129.33 3kk2 n ASP 498 Ca -0.19 -3.15 -0.31 0.00 -0.50 0.00 0.00 54.79 50.64 3kk2 n ASP 498 Cb 0.54 -0.71 -0.15 0.00 -1.14 0.00 0.00 41.12 39.66 3kk2 n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3kk2 s SER 499 N -1.08 4.39 0.16 -1.12 0.15 -1.26 -4.49 113.70 110.45 3kk2 s SER 499 Ca 0.54 -1.70 -0.14 0.00 0.70 0.00 0.00 55.95 55.35 3kk2 s SER 499 Cb 0.43 -1.41 0.04 0.00 -1.71 0.00 0.00 66.02 63.37 3kk2 s SER 499 CO 0.13 -0.31 1.75 1.56 1.20 0.00 0.00 173.24 177.58 3kk2 h GLN 500 N 7.79 0.72 -0.29 5.44 4.20 -1.95 0.12 115.11 131.14 3kk2 h GLN 500 Ca -0.12 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.55 3kk2 h GLN 500 Cb 1.04 -0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.60 3kk2 h GLN 500 CO 0.48 0.59 -0.39 -0.92 -0.67 0.00 0.00 178.83 177.91 3kk2 h TYR 501 N 0.67 -1.12 -0.08 2.96 3.20 -1.99 0.48 116.97 121.10 3kk2 h TYR 501 Ca 0.18 0.06 -0.18 0.00 3.14 0.00 0.00 58.73 61.92 3kk2 h TYR 501 Cb 0.10 0.53 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3kk2 h TYR 501 CO -0.01 -0.43 -0.72 0.00 -1.64 0.00 0.00 178.16 175.36 3kk2 h ALA 502 N 0.41 0.61 -0.16 1.82 0.00 -1.86 -2.75 119.26 117.33 3kk2 h ALA 502 Ca 0.12 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3kk2 h ALA 502 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kk2 h ALA 502 CO -0.49 0.76 -0.23 1.25 0.00 0.00 0.00 179.25 180.55 3kk2 h LEU 503 N 0.27 0.28 -0.19 0.00 5.85 -0.17 -2.54 115.31 118.80 3kk2 h LEU 503 Ca -0.03 -0.08 -0.22 0.00 0.84 0.00 0.00 57.88 58.40 3kk2 h LEU 503 Cb 1.29 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3kk2 h LEU 503 CO 0.12 0.52 -0.95 1.23 -0.34 0.00 0.00 178.44 179.03 3kk2 h GLY 504 N 0.95 0.29 0.67 3.75 0.00 0.21 -2.49 103.07 106.44 3kk2 h GLY 504 Ca 0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3kk2 h GLY 504 CO 0.04 0.47 -0.28 -2.22 0.00 0.00 0.00 176.54 174.55 3kk2 h ILE 505 N 0.13 0.17 -0.10 2.60 2.04 -1.39 -3.15 117.51 117.81 3kk2 h ILE 505 Ca -0.06 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 3kk2 h ILE 505 Cb 1.60 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3kk2 h ILE 505 CO 0.15 0.03 -0.11 0.40 0.00 0.00 0.00 178.15 178.62 3kk2 h ILE 506 N -1.12 1.14 -0.14 -0.67 2.04 -1.54 -1.86 117.51 115.36 3kk2 h ILE 506 Ca -0.08 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 3kk2 h ILE 506 Cb 0.64 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3kk2 h ILE 506 CO 0.13 0.19 -0.19 1.56 0.00 0.00 0.00 178.15 179.85 3kk2 h GLN 507 N 0.15 0.23 0.00 2.37 4.20 -1.52 -2.34 115.11 118.20 3kk2 h GLN 507 Ca 0.03 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3kk2 h GLN 507 Cb 0.30 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3kk2 h GLN 507 CO 0.02 0.42 0.00 0.00 -0.67 0.00 0.00 178.83 178.60 3kk2 n ALA 508 N -2.49 2.05 -3.12 3.87 0.00 -0.70 -4.89 120.51 115.23 3kk2 n ALA 508 Ca -0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 3kk2 n ALA 508 Cb 0.31 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.50 3kk2 n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kk2 n GLN 509 N -1.27 -5.10 -1.98 0.00 6.02 -0.88 -4.88 117.38 109.30 3kk2 n GLN 509 Ca 0.10 0.60 -0.38 0.00 -0.01 0.00 0.00 57.00 57.31 3kk2 n GLN 509 Cb 0.15 -4.89 0.02 0.00 1.02 0.00 0.00 30.24 26.54 3kk2 n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3kk2 s PRO 510 N -5.38 3.31 0.00 -1.09 0.04 -1.26 -4.62 135.00 126.01 3kk2 s PRO 510 Ca 0.18 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.26 3kk2 s PRO 510 Cb -0.08 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.22 3kk2 s PRO 510 CO 0.52 -0.99 0.51 -0.40 0.04 0.00 0.00 177.00 176.68 3kk2 n ASP 511 N -0.95 1.05 -4.08 6.66 5.68 -0.22 -4.89 116.55 119.81 3kk2 n ASP 511 Ca 0.10 -1.02 -0.12 0.00 -0.50 0.00 0.00 54.79 53.25 3kk2 n ASP 511 Cb 0.47 0.15 -0.11 0.00 -1.14 0.00 0.00 41.12 40.48 3kk2 n ASP 511 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3kk2 s GLN 512 N -0.36 0.58 -0.09 0.11 -0.21 0.30 -4.98 119.66 115.00 3kk2 s GLN 512 Ca 0.03 -0.89 -0.26 0.00 0.02 0.00 0.00 55.36 54.26 3kk2 s GLN 512 Cb 0.02 -0.21 0.06 0.00 1.00 0.00 0.00 33.01 33.89 3kk2 s GLN 512 CO 0.04 0.02 0.61 0.45 -2.12 0.00 0.00 175.29 174.28 3kk2 s SER 513 N -1.95 -0.58 0.37 5.90 0.15 -1.26 -2.27 113.70 114.05 3kk2 s SER 513 Ca -0.05 0.76 0.13 0.00 0.70 0.00 0.00 55.95 57.49 3kk2 s SER 513 Cb -0.06 0.70 0.72 0.00 -1.71 0.00 0.00 66.02 65.67 3kk2 s SER 513 CO -0.01 -0.48 1.82 -0.33 1.20 0.00 0.00 173.24 175.44 3kk2 h GLU 514 N 3.71 0.00 -6.21 5.44 5.08 -1.71 -3.44 114.58 117.45 3kk2 h GLU 514 Ca -0.28 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.51 3kk2 h GLU 514 Cb 1.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 3kk2 h GLU 514 CO 0.32 0.38 0.89 0.45 -1.00 0.00 0.00 179.01 180.04 3kk2 s SER 515 N -6.93 6.90 0.35 1.42 0.15 -1.26 -4.89 113.70 109.45 3kk2 s SER 515 Ca -0.03 1.40 0.03 0.00 0.70 0.00 0.00 55.95 58.05 3kk2 s SER 515 Cb 0.14 -2.54 0.66 0.00 -1.71 0.00 0.00 66.02 62.57 3kk2 s SER 515 CO 0.73 -0.84 2.01 -0.08 1.20 0.00 0.00 173.24 176.25 3kk2 h GLU 516 N 8.32 0.81 0.11 5.44 4.81 -2.00 -0.28 114.58 131.80 3kk2 h GLU 516 Ca -0.24 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3kk2 h GLU 516 Cb 1.09 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3kk2 h GLU 516 CO 1.00 0.54 -0.05 1.25 -0.73 0.00 0.00 179.01 181.02 3kk2 h LEU 517 N 0.84 -0.12 -1.72 1.64 5.85 -1.98 -1.76 115.31 118.06 3kk2 h LEU 517 Ca 0.24 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3kk2 h LEU 517 Cb -0.06 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3kk2 h LEU 517 CO -0.06 0.13 -0.16 0.58 -0.34 0.00 0.00 178.44 178.59 3kk2 h VAL 518 N -0.37 1.01 0.45 1.05 2.07 -1.87 -1.50 116.25 117.08 3kk2 h VAL 518 Ca -0.01 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3kk2 h VAL 518 Cb 0.31 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3kk2 h VAL 518 CO 0.02 0.16 -0.22 0.78 0.02 0.00 0.00 177.57 178.34 3kk2 h ASN 519 N 0.00 -0.51 -0.98 0.57 2.35 -0.91 -0.84 115.58 115.25 3kk2 h ASN 519 Ca -0.00 -0.03 0.16 0.00 -0.55 0.00 0.00 56.30 55.87 3kk2 h ASN 519 Cb 0.31 0.13 -0.09 0.00 0.05 0.00 0.00 38.32 38.72 3kk2 h ASN 519 CO 0.02 -0.29 0.62 1.56 -1.65 0.00 0.00 177.43 177.69 3kk2 h GLN 520 N -0.70 0.81 -0.21 0.81 4.20 -0.50 0.21 115.11 119.73 3kk2 h GLN 520 Ca -0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3kk2 h GLN 520 Cb 0.51 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3kk2 h GLN 520 CO 0.10 0.53 0.09 0.82 -0.67 0.00 0.00 178.83 179.71 3kk2 h ILE 521 N 0.83 1.15 -1.00 2.54 2.04 -1.22 -2.74 117.51 119.12 3kk2 h ILE 521 Ca 0.52 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 66.02 3kk2 h ILE 521 Cb 0.72 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.78 3kk2 h ILE 521 CO -0.30 0.15 0.64 0.40 0.00 0.00 0.00 178.15 179.04 3kk2 h ILE 522 N 0.20 1.01 -0.28 -0.67 2.04 0.84 -0.41 117.51 120.24 3kk2 h ILE 522 Ca 0.07 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3kk2 h ILE 522 Cb 0.15 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 3kk2 h ILE 522 CO -0.01 0.20 0.18 -0.08 0.00 0.00 0.00 178.15 178.44 3kk2 h GLU 523 N 1.08 0.35 -0.63 2.37 4.81 -0.86 -1.91 114.58 119.80 3kk2 h GLU 523 Ca 0.46 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.64 3kk2 h GLU 523 Cb 0.33 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3kk2 h GLU 523 CO -0.22 0.23 0.28 1.96 -0.73 0.00 0.00 179.01 180.54 3kk2 h GLN 524 N 0.36 0.92 0.00 1.92 1.08 -0.98 -1.99 115.11 116.42 3kk2 h GLN 524 Ca 0.10 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3kk2 h GLN 524 Cb -0.03 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.24 3kk2 h GLN 524 CO -0.03 0.75 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.49 3kk2 h LEU 525 N 0.87 0.00 0.09 1.46 3.38 -0.84 -2.04 115.31 118.23 3kk2 h LEU 525 Ca 0.21 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.93 3kk2 h LEU 525 Cb 0.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.92 3kk2 h LEU 525 CO -0.02 0.04 -1.03 0.40 0.09 0.00 0.00 178.44 177.92 3kk2 h ILE 526 N 0.00 1.35 -0.44 1.22 2.04 -0.74 -3.25 117.51 117.68 3kk2 h ILE 526 Ca -0.00 -2.37 0.04 0.00 1.00 0.00 0.00 64.86 63.53 3kk2 h ILE 526 Cb 0.07 2.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 3kk2 h ILE 526 CO 0.01 0.71 0.30 0.11 0.00 0.00 0.00 178.15 179.27 3kk2 h LYS 527 N 0.10 0.42 -7.32 2.37 1.57 -1.01 -3.45 116.57 109.25 3kk2 h LYS 527 Ca -0.15 -0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 58.09 3kk2 h LYS 527 Cb 1.73 -0.10 0.08 0.00 0.08 0.00 0.00 32.23 34.03 3kk2 h LYS 527 CO 0.20 0.28 0.38 0.15 -0.57 0.00 0.00 179.45 179.88 3kk2 s LYS 528 N -5.40 3.11 -0.20 3.15 -0.14 -0.80 -4.98 119.74 114.47 3kk2 s LYS 528 Ca -0.08 0.95 -0.03 0.00 -1.36 0.00 0.00 55.97 55.46 3kk2 s LYS 528 Cb 0.18 -2.01 -0.21 0.00 -1.68 0.00 0.00 37.83 34.11 3kk2 s LYS 528 CO 0.73 -0.96 0.02 0.39 -0.76 0.00 0.00 175.35 174.77 3kk2 n GLU 529 N -2.90 0.69 -3.69 1.68 -0.58 0.16 -4.91 120.64 111.09 3kk2 n GLU 529 Ca 0.07 0.21 -0.18 0.00 -0.42 0.00 0.00 57.16 56.85 3kk2 n GLU 529 Cb 0.54 -1.60 -0.17 0.00 -0.57 0.00 0.00 31.44 29.64 3kk2 n GLU 529 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kk2 s LYS 530 N -2.53 -0.03 0.04 3.49 1.02 -0.64 -4.99 119.74 116.10 3kk2 s LYS 530 Ca -0.30 0.40 0.09 0.00 0.02 0.00 0.00 55.97 56.18 3kk2 s LYS 530 Cb 0.08 -0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 36.98 3kk2 s LYS 530 CO 0.66 -0.29 -0.26 0.08 -0.92 0.00 0.00 175.35 174.63 3kk2 s VAL 531 N 1.96 2.20 -0.06 3.17 1.01 -1.26 -0.95 120.40 126.48 3kk2 s VAL 531 Ca 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.64 3kk2 s VAL 531 Cb -0.12 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.42 3kk2 s VAL 531 CO -0.04 0.38 -0.04 -0.47 0.00 0.00 0.00 175.10 174.92 3kk2 s TYR 532 N -0.81 0.83 -0.19 5.22 5.04 -0.80 -0.62 117.35 126.02 3kk2 s TYR 532 Ca 0.12 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.50 3kk2 s TYR 532 Cb -0.10 -0.76 0.03 0.00 0.35 0.00 0.00 41.96 41.47 3kk2 s TYR 532 CO 0.02 -0.25 -0.17 -1.17 -1.34 0.00 0.00 175.55 172.64 3kk2 s LEU 533 N 1.20 2.29 0.18 6.97 2.96 -1.26 -0.63 118.68 130.39 3kk2 s LEU 533 Ca -0.06 -0.77 0.10 0.00 -0.22 0.00 0.00 54.13 53.17 3kk2 s LEU 533 Cb -0.14 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 3kk2 s LEU 533 CO -0.02 -0.06 -0.17 0.00 -1.32 0.00 0.00 176.35 174.79 3kk2 s ALA 534 N 1.30 2.73 0.13 5.97 0.00 -0.70 -5.02 121.76 126.17 3kk2 s ALA 534 Ca 0.02 -1.53 0.05 0.00 0.00 0.00 0.00 51.96 50.50 3kk2 s ALA 534 Cb -0.14 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 3kk2 s ALA 534 CO -0.11 0.46 0.02 -0.46 0.00 0.00 0.00 175.76 175.68 3kk2 s TRP 535 N -1.62 2.98 -0.03 0.00 -0.00 -1.26 -2.13 118.94 116.88 3kk2 s TRP 535 Ca 0.22 -0.05 -0.06 0.00 -0.00 0.00 0.00 56.10 56.21 3kk2 s TRP 535 Cb -0.09 -1.49 0.01 0.00 -0.00 0.00 0.00 33.47 31.90 3kk2 s TRP 535 CO 0.12 0.50 0.15 0.14 -0.00 0.00 0.00 176.95 177.86 3kk2 s VAL 536 N -1.50 0.04 0.29 5.86 -7.23 -0.68 -4.94 120.40 112.24 3kk2 s VAL 536 Ca 0.27 -0.29 -0.30 0.00 -1.81 0.00 0.00 61.98 59.85 3kk2 s VAL 536 Cb -0.11 -0.31 -0.12 0.00 0.56 0.00 0.00 36.38 36.40 3kk2 s VAL 536 CO 0.19 -0.16 1.50 -0.81 -0.31 0.00 0.00 175.10 175.51 3kk2 n PRO 537 N 2.35 2.45 -2.05 4.82 -0.04 -1.26 -4.12 135.00 137.15 3kk2 n PRO 537 Ca -0.17 0.87 -0.28 0.00 -0.04 0.00 0.00 63.50 63.88 3kk2 n PRO 537 Cb 0.57 -2.59 0.13 0.00 -0.04 0.00 0.00 33.50 31.58 3kk2 n PRO 537 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kk2 s ALA 538 N -0.26 2.68 -1.51 0.55 0.00 -1.26 -4.23 121.76 117.73 3kk2 s ALA 538 Ca 0.63 -1.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 3kk2 s ALA 538 Cb -0.54 -2.69 0.10 0.00 0.00 0.00 0.00 23.12 19.98 3kk2 s ALA 538 CO 0.52 -1.93 0.25 0.72 0.00 0.00 0.00 175.76 175.32 3kk2 n HIS 539 N -3.39 -1.07 -1.02 0.00 8.25 -1.26 -4.75 115.22 111.98 3kk2 n HIS 539 Ca 0.12 0.57 0.03 0.00 -0.26 0.00 0.00 57.72 58.18 3kk2 n HIS 539 Cb 0.60 -2.08 0.04 0.00 1.12 0.00 0.00 29.99 29.67 3kk2 n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kk2 n LYS 540 N -3.93 1.14 -1.16 -0.41 4.76 -1.26 -5.00 118.16 112.30 3kk2 n LYS 540 Ca -0.10 -1.52 -0.06 0.00 -2.87 0.00 0.00 58.31 53.76 3kk2 n LYS 540 Cb 0.51 -0.94 -0.02 0.00 -1.84 0.00 0.00 35.03 32.74 3kk2 n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kk2 n GLY 541 N -0.57 0.68 2.81 0.72 0.00 -1.26 -4.89 105.19 102.68 3kk2 n GLY 541 Ca 0.05 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3kk2 n GLY 541 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kk2 n ILE 542 N -2.44 2.93 -1.32 -0.61 2.08 -1.26 -4.54 119.36 114.20 3kk2 n ILE 542 Ca -0.06 -2.42 -0.37 0.00 0.56 0.00 0.00 62.75 60.46 3kk2 n ILE 542 Cb 0.38 -2.49 0.05 0.00 -0.75 0.00 0.00 39.64 36.83 3kk2 n ILE 542 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kk2 n GLY 543 N 4.18 -1.88 1.02 7.39 0.00 -1.26 -0.36 105.19 114.28 3kk2 n GLY 543 Ca 0.53 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 3kk2 n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kk2 n GLY 544 N 1.89 2.16 0.26 -0.02 0.00 -1.26 -4.69 105.19 103.53 3kk2 n GLY 544 Ca 0.10 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 3kk2 n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kk2 h ASN 545 N 0.55 0.94 -0.89 1.61 -0.00 -1.06 -2.59 115.58 114.15 3kk2 h ASN 545 Ca 0.06 -0.44 0.21 0.00 -0.00 0.00 0.00 56.30 56.13 3kk2 h ASN 545 Cb 1.09 -0.26 -0.16 0.00 -0.00 0.00 0.00 38.32 38.98 3kk2 h ASN 545 CO 0.17 1.22 -0.09 -0.08 -0.00 0.00 0.00 177.43 178.65 3kk2 h GLU 546 N 0.71 0.03 0.12 6.67 4.22 -1.78 -2.09 114.58 122.46 3kk2 h GLU 546 Ca 0.05 -0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.33 3kk2 h GLU 546 Cb 0.99 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.25 3kk2 h GLU 546 CO 0.10 0.02 -0.72 1.96 -2.18 0.00 0.00 179.01 178.19 3kk2 h GLN 547 N 0.03 0.28 0.00 1.92 7.50 -1.83 -2.83 115.11 120.18 3kk2 h GLN 547 Ca 0.48 -0.46 -0.11 0.00 0.50 0.00 0.00 58.65 59.06 3kk2 h GLN 547 Cb 0.85 0.17 -0.02 0.00 0.05 0.00 0.00 27.48 28.53 3kk2 h GLN 547 CO -0.86 1.21 -0.52 -0.24 -1.50 0.00 0.00 178.83 176.92 3kk2 h VAL 548 N -0.40 0.95 -0.38 -0.54 3.04 -1.44 -2.43 116.25 115.05 3kk2 h VAL 548 Ca -0.12 -2.18 -0.07 0.00 -1.01 0.00 0.00 66.70 63.31 3kk2 h VAL 548 Cb 1.55 2.36 -0.02 0.00 -2.01 0.00 0.00 31.29 33.17 3kk2 h VAL 548 CO 0.14 0.51 -0.07 -0.78 -1.01 0.00 0.00 177.57 176.36 3kk2 h ASP 549 N 0.00 0.62 0.41 3.17 1.82 -1.45 -2.09 116.42 118.90 3kk2 h ASP 549 Ca -0.01 -0.16 -0.09 0.00 -0.39 0.00 0.00 57.03 56.39 3kk2 h ASP 549 Cb 1.31 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 3kk2 h ASP 549 CO 0.07 0.74 -0.41 0.11 -1.61 0.00 0.00 179.24 178.14 3kk2 h LYS 550 N 0.60 0.00 0.08 0.28 1.57 -1.18 -2.78 116.57 115.14 3kk2 h LYS 550 Ca 0.11 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.63 3kk2 h LYS 550 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.80 3kk2 h LYS 550 CO 0.03 0.41 -1.14 -0.07 -0.57 0.00 0.00 179.45 178.11 3kk2 h LEU 551 N 0.00 0.56 -0.65 2.94 4.07 -1.13 -3.32 115.31 117.77 3kk2 h LEU 551 Ca -0.00 -0.52 0.00 0.00 0.08 0.00 0.00 57.88 57.44 3kk2 h LEU 551 Cb 0.72 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.29 3kk2 h LEU 551 CO 0.05 1.36 -0.26 1.33 -1.08 0.00 0.00 178.44 179.85 3kk2 n VAL 552 N -3.67 0.00 -2.79 1.22 0.24 -0.83 -4.36 118.33 108.15 3kk2 n VAL 552 Ca -0.09 -0.17 -0.43 0.00 -2.04 0.00 0.00 64.34 61.61 3kk2 n VAL 552 Cb 0.95 0.55 0.01 0.00 -1.47 0.00 0.00 33.84 33.88 3kk2 n VAL 552 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3kk2 n SER 553 N -0.43 5.85 -1.12 -1.34 7.64 -1.05 -4.31 113.62 118.85 3kk2 n SER 553 Ca 0.13 -3.26 0.10 0.00 1.01 0.00 0.00 58.87 56.84 3kk2 n SER 553 Cb 0.37 -1.36 0.26 0.00 -1.01 0.00 0.00 64.21 62.47 3kk2 n SER 553 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kk2 n ALA 554 N 2.50 2.32 0.36 -0.43 0.00 -1.26 -4.99 120.51 119.01 3kk2 n ALA 554 Ca 0.31 -1.23 0.04 0.00 0.00 0.00 0.00 53.44 52.56 3kk2 n ALA 554 Cb 0.35 -0.77 0.04 0.00 0.00 0.00 0.00 19.45 19.07 3kk2 n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91