#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kk2 s ILE 5 N 0.00 2.89 0.35 0.58 1.01 -1.26 -4.92 121.20 119.85 3kk2 s ILE 5 Ca 0.00 0.54 -0.28 0.00 0.00 0.00 0.00 60.65 60.91 3kk2 s ILE 5 Cb 0.00 -3.35 -0.11 0.00 0.01 0.00 0.00 42.46 39.02 3kk2 s ILE 5 CO 0.00 0.02 1.41 -0.70 0.00 0.00 0.00 174.94 175.68 3kk2 s GLU 6 N 1.73 4.22 0.37 2.79 2.56 -1.26 -4.76 118.70 124.35 3kk2 s GLU 6 Ca 0.71 2.41 -0.25 0.00 0.00 0.00 0.00 54.97 57.84 3kk2 s GLU 6 Cb -0.41 -3.02 -0.09 0.00 2.00 0.00 0.00 34.13 32.61 3kk2 s GLU 6 CO 0.31 -0.39 1.02 -0.08 -0.56 0.00 0.00 175.26 175.56 3kk2 s THR 7 N -1.05 3.87 -0.20 -1.70 -1.32 -1.26 -4.95 115.64 109.03 3kk2 s THR 7 Ca 0.52 1.48 -0.02 0.00 -1.21 0.00 0.00 61.69 62.45 3kk2 s THR 7 Cb -0.44 -3.78 -0.00 0.00 -1.51 0.00 0.00 72.50 66.77 3kk2 s THR 7 CO 0.58 0.05 -0.10 0.54 -2.21 0.00 0.00 174.62 173.48 3kk2 s VAL 8 N -1.64 2.95 0.04 5.08 0.11 -1.26 -5.02 120.40 120.66 3kk2 s VAL 8 Ca 0.55 -0.64 -0.32 0.00 -2.93 0.00 0.00 61.98 58.64 3kk2 s VAL 8 Cb -0.21 -2.31 -0.11 0.00 -1.53 0.00 0.00 36.38 32.23 3kk2 s VAL 8 CO 0.27 0.47 1.89 -2.65 -3.33 0.00 0.00 175.10 171.74 3kk2 n PRO 9 N 4.65 2.65 -4.42 1.54 -0.02 -1.26 -4.38 135.00 133.75 3kk2 n PRO 9 Ca -0.19 0.97 -0.23 0.00 -2.02 0.00 0.00 63.50 62.02 3kk2 n PRO 9 Cb 0.51 -2.87 -0.17 0.00 -0.02 0.00 0.00 33.50 30.95 3kk2 n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kk2 s VAL 10 N 3.59 0.96 0.40 -1.45 1.01 -1.26 -5.11 120.40 118.54 3kk2 s VAL 10 Ca 0.87 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.56 3kk2 s VAL 10 Cb -0.52 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3kk2 s VAL 10 CO 0.42 0.32 0.27 -0.54 0.00 0.00 0.00 175.10 175.57 3kk2 s LYS 11 N 0.80 2.42 0.48 2.72 1.02 -1.26 -4.77 119.74 121.16 3kk2 s LYS 11 Ca -0.12 -1.62 0.02 0.00 0.02 0.00 0.00 55.97 54.26 3kk2 s LYS 11 Cb -0.15 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 3kk2 s LYS 11 CO 0.02 -0.09 0.69 -0.51 -0.92 0.00 0.00 175.35 174.54 3kk2 s LEU 12 N -4.00 3.50 0.45 3.17 1.43 -1.26 -2.15 118.68 119.83 3kk2 s LEU 12 Ca 0.43 0.06 -0.25 0.00 -1.03 0.00 0.00 54.13 53.34 3kk2 s LEU 12 Cb -0.01 -2.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.18 3kk2 s LEU 12 CO 0.25 -0.89 1.38 -0.54 0.23 0.00 0.00 176.35 176.79 3kk2 s LYS 13 N -4.60 3.68 0.11 1.70 1.02 -0.44 -4.38 119.74 116.83 3kk2 s LYS 13 Ca 0.53 2.32 -0.31 0.00 0.02 0.00 0.00 55.97 58.53 3kk2 s LYS 13 Cb -0.10 -2.62 -0.10 0.00 -0.52 0.00 0.00 37.83 34.49 3kk2 s LYS 13 CO 0.37 -0.79 1.72 -1.25 -0.92 0.00 0.00 175.35 174.49 3kk2 s PRO 14 N -2.47 4.17 0.00 -1.68 0.04 -1.26 -1.93 135.00 131.87 3kk2 s PRO 14 Ca 0.61 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.12 3kk2 s PRO 14 Cb -0.42 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.62 3kk2 s PRO 14 CO 0.53 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3kk2 n GLY 15 N 4.07 0.44 3.55 0.56 0.00 -1.26 -5.06 105.19 107.48 3kk2 n GLY 15 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.88 2.69 0.04 1.61 -1.94 -0.81 -5.11 119.30 114.89 3kk2 s MET 16 Ca 0.00 -0.59 0.03 0.00 -1.71 0.00 0.00 55.69 53.42 3kk2 s MET 16 Cb 0.00 -2.53 -0.04 0.00 2.01 0.00 0.00 34.83 34.27 3kk2 s MET 16 CO 0.00 0.65 0.02 0.34 -0.01 0.00 0.00 175.02 176.02 3kk2 s ASP 17 N -0.77 5.20 1.09 3.03 2.15 -1.26 -4.76 116.67 121.35 3kk2 s ASP 17 Ca 0.12 -0.05 -0.17 0.00 0.43 0.00 0.00 52.55 52.88 3kk2 s ASP 17 Cb -0.11 -1.34 0.11 0.00 -0.30 0.00 0.00 42.92 41.29 3kk2 s ASP 17 CO 0.01 0.23 0.22 0.61 -0.17 0.00 0.00 175.17 176.07 3kk2 n GLY 18 N 0.95 -2.31 3.77 2.66 0.00 -1.26 -4.90 105.19 104.10 3kk2 n GLY 18 Ca -0.12 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 3kk2 n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kk2 s PRO 19 N -3.61 4.15 -0.47 1.61 0.04 -1.26 -4.93 135.00 130.52 3kk2 s PRO 19 Ca 0.58 2.14 0.07 0.00 0.04 0.00 0.00 61.00 63.83 3kk2 s PRO 19 Cb -0.15 -2.89 0.24 0.00 0.04 0.00 0.00 34.50 31.74 3kk2 s PRO 19 CO 0.66 -0.33 0.57 1.63 0.04 0.00 0.00 177.00 179.56 3kk2 n LYS 20 N 0.42 1.22 -4.06 4.56 5.02 -1.23 -0.48 118.16 123.60 3kk2 n LYS 20 Ca 0.02 -3.67 -0.35 0.00 -2.02 0.00 0.00 58.31 52.29 3kk2 n LYS 20 Cb 0.43 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 3kk2 n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kk2 s VAL 21 N -1.45 4.40 0.29 -0.18 1.01 -0.20 -4.89 120.40 119.38 3kk2 s VAL 21 Ca 0.36 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3kk2 s VAL 21 Cb 0.14 -2.99 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 3kk2 s VAL 21 CO -0.09 0.44 1.27 -0.54 0.00 0.00 0.00 175.10 176.17 3kk2 s LYS 22 N 0.69 4.42 0.47 2.72 1.02 -1.26 -3.71 119.74 124.09 3kk2 s LYS 22 Ca 0.02 2.09 -0.23 0.00 0.02 0.00 0.00 55.97 57.87 3kk2 s LYS 22 Cb -0.14 -3.13 -0.07 0.00 -0.52 0.00 0.00 37.83 33.98 3kk2 s LYS 22 CO 0.02 -0.12 1.25 -1.14 -0.92 0.00 0.00 175.35 174.44 3kk2 s GLN 23 N -1.29 3.61 0.28 1.68 2.00 -1.26 -4.74 119.66 119.95 3kk2 s GLN 23 Ca 0.50 2.00 0.07 0.00 -2.00 0.00 0.00 55.36 55.93 3kk2 s GLN 23 Cb -0.37 -2.44 -0.03 0.00 0.80 0.00 0.00 33.01 30.97 3kk2 s GLN 23 CO 0.47 -0.74 0.29 1.67 -0.50 0.00 0.00 175.29 176.48 3kk2 s TRP 24 N -1.41 3.12 0.37 1.67 -2.14 -1.26 -5.06 118.94 114.23 3kk2 s TRP 24 Ca 0.65 -0.16 -0.27 0.00 2.66 0.00 0.00 56.10 58.97 3kk2 s TRP 24 Cb -0.34 -1.62 -0.10 0.00 -3.10 0.00 0.00 33.47 28.31 3kk2 s TRP 24 CO 0.42 0.34 1.30 -1.25 -2.66 0.00 0.00 176.95 175.10 3kk2 s PRO 25 N -3.96 4.16 0.32 3.25 0.04 -1.26 -4.97 135.00 132.58 3kk2 s PRO 25 Ca 0.37 2.18 0.10 0.00 0.04 0.00 0.00 61.00 63.68 3kk2 s PRO 25 Cb -0.08 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 3kk2 s PRO 25 CO 0.27 -0.34 -0.03 -0.51 0.04 0.00 0.00 177.00 176.43 3kk2 s LEU 26 N -2.12 2.94 0.47 -3.56 1.43 -1.26 -5.14 118.68 111.44 3kk2 s LEU 26 Ca 0.53 -0.94 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 3kk2 s LEU 26 Cb -0.39 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3kk2 s LEU 26 CO 0.51 -0.15 0.79 0.42 0.23 0.00 0.00 176.35 178.15 3kk2 s THR 27 N -2.49 4.87 0.10 5.49 -4.23 -1.26 -4.83 115.64 113.29 3kk2 s THR 27 Ca 0.33 0.34 -0.32 0.00 -1.18 0.00 0.00 61.69 60.86 3kk2 s THR 27 Cb -0.02 -3.83 -0.12 0.00 1.34 0.00 0.00 72.50 69.86 3kk2 s THR 27 CO 0.19 -0.78 1.60 -0.08 -0.54 0.00 0.00 174.62 175.00 3kk2 h GLU 28 N 0.46 -0.71 -0.26 3.99 4.81 -2.00 0.34 114.58 121.20 3kk2 h GLU 28 Ca -0.47 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 3kk2 h GLU 28 Cb 1.20 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 3kk2 h GLU 28 CO 0.62 -0.48 -0.15 -1.91 -0.73 0.00 0.00 179.01 176.37 3kk2 n GLU 29 N -5.48 -0.11 -0.01 1.92 2.13 -1.26 -0.65 120.64 117.19 3kk2 n GLU 29 Ca -0.09 0.52 -0.12 0.00 0.66 0.00 0.00 57.16 58.13 3kk2 n GLU 29 Cb 0.38 -0.77 -0.07 0.00 0.27 0.00 0.00 31.44 31.25 3kk2 n GLU 29 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3kk2 h LYS 30 N 0.00 0.09 -0.17 5.31 1.57 -0.97 -2.63 116.57 119.77 3kk2 h LYS 30 Ca 0.04 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3kk2 h LYS 30 Cb 0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3kk2 h LYS 30 CO -0.24 0.31 -0.07 0.82 -0.57 0.00 0.00 179.45 179.70 3kk2 h ILE 31 N -0.14 0.76 -0.72 1.86 5.03 0.04 0.50 117.51 124.86 3kk2 h ILE 31 Ca 0.02 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 64.91 3kk2 h ILE 31 Cb 0.26 0.76 -0.13 0.00 -3.03 0.00 0.00 36.82 34.68 3kk2 h ILE 31 CO 0.00 0.00 -0.06 0.11 -0.68 0.00 0.00 178.15 177.52 3kk2 h LYS 32 N -0.04 0.06 0.49 2.37 1.79 -0.85 0.15 116.57 120.54 3kk2 h LYS 32 Ca 0.09 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 3kk2 h LYS 32 Cb 0.18 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3kk2 h LYS 32 CO -0.20 0.04 -0.24 0.00 -1.08 0.00 0.00 179.45 177.97 3kk2 h ALA 33 N 1.69 -0.66 -0.69 3.86 0.00 -0.98 -2.07 119.26 120.40 3kk2 h ALA 33 Ca 0.37 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.26 3kk2 h ALA 33 Cb 0.63 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 3kk2 h ALA 33 CO -0.67 -0.81 0.13 -0.07 0.00 0.00 0.00 179.25 177.83 3kk2 h LEU 34 N -0.79 -0.06 -0.79 0.00 3.38 0.04 0.16 115.31 117.25 3kk2 h LEU 34 Ca -0.07 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3kk2 h LEU 34 Cb 0.56 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3kk2 h LEU 34 CO 0.11 -0.05 0.36 0.58 0.09 0.00 0.00 178.44 179.53 3kk2 h VAL 35 N 0.23 1.25 0.12 1.22 2.07 -0.70 0.47 116.25 120.91 3kk2 h VAL 35 Ca 0.38 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3kk2 h VAL 35 Cb 0.64 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3kk2 h VAL 35 CO -0.50 0.31 -0.06 -0.08 0.02 0.00 0.00 177.57 177.26 3kk2 h GLU 36 N 1.13 -0.15 -0.48 1.57 4.81 -0.37 -1.81 114.58 119.28 3kk2 h GLU 36 Ca 0.27 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.60 3kk2 h GLU 36 Cb 0.15 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 3kk2 h GLU 36 CO -0.03 0.25 0.04 0.82 -0.73 0.00 0.00 179.01 179.36 3kk2 h ILE 37 N -0.60 0.67 -0.35 2.32 2.04 -0.66 -2.95 117.51 117.99 3kk2 h ILE 37 Ca -0.02 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 3kk2 h ILE 37 Cb 0.47 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3kk2 h ILE 37 CO 0.03 0.03 -0.07 0.00 0.00 0.00 0.00 178.15 178.14 3kk2 h THR 39 N 0.45 1.05 -0.05 0.00 1.35 -1.31 0.71 112.91 115.10 3kk2 h THR 39 Ca 0.09 -0.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.70 3kk2 h THR 39 Cb 0.56 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3kk2 h THR 39 CO 0.03 0.07 -0.09 -0.08 -0.25 0.00 0.00 175.52 175.20 3kk2 h GLU 40 N 0.05 0.15 -0.62 4.72 4.57 -1.25 -0.27 114.58 121.93 3kk2 h GLU 40 Ca 0.01 -0.09 0.10 0.00 -1.18 0.00 0.00 59.36 58.20 3kk2 h GLU 40 Cb 0.10 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 3kk2 h GLU 40 CO 0.01 0.66 0.42 0.52 -1.18 0.00 0.00 179.01 179.43 3kk2 h MET 41 N -0.35 0.44 -0.20 1.92 2.86 -0.57 -1.32 114.93 117.71 3kk2 h MET 41 Ca 0.00 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.44 3kk2 h MET 41 Cb 0.65 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3kk2 h MET 41 CO 0.02 0.29 -0.60 1.49 1.06 0.00 0.00 176.91 179.17 3kk2 h GLU 42 N 0.45 0.68 -0.10 1.72 4.81 -0.65 0.13 114.58 121.63 3kk2 h GLU 42 Ca 0.29 -0.46 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3kk2 h GLU 42 Cb 0.52 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3kk2 h GLU 42 CO -0.08 1.08 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.95 3kk2 h LYS 43 N 0.51 0.15 -0.39 1.92 3.64 0.02 -1.57 116.57 120.86 3kk2 h LYS 43 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kk2 h LYS 43 Cb 1.18 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3kk2 h LYS 43 CO 0.12 0.27 0.00 0.39 -2.27 0.00 0.00 179.45 177.96 3kk2 n GLU 44 N -4.34 2.12 -1.01 1.90 1.02 -0.68 -4.93 120.64 114.73 3kk2 n GLU 44 Ca -0.01 -1.71 -0.00 0.00 -0.02 0.00 0.00 57.16 55.41 3kk2 n GLU 44 Cb 0.22 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 1.30 0.38 0.17 0.62 0.00 -0.59 -4.90 105.19 102.17 3kk2 n GLY 45 Ca 0.17 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.71 0.45 -4.99 1.61 1.57 -1.21 -3.44 116.57 111.27 3kk2 h LYS 46 Ca -0.00 -0.43 -0.32 0.00 -1.87 0.00 0.00 60.65 58.02 3kk2 h LYS 46 Cb 0.27 0.11 -0.17 0.00 0.08 0.00 0.00 32.23 32.52 3kk2 h LYS 46 CO 0.01 1.08 -0.73 0.96 -0.57 0.00 0.00 179.45 180.20 3kk2 s ILE 47 N -3.41 0.99 0.00 1.86 -4.36 -1.17 0.14 121.20 115.24 3kk2 s ILE 47 Ca -0.06 -1.71 0.05 0.00 -0.26 0.00 0.00 60.65 58.66 3kk2 s ILE 47 Cb 0.09 -1.45 -0.01 0.00 1.25 0.00 0.00 42.46 42.34 3kk2 s ILE 47 CO 0.86 -0.59 -0.14 -0.44 0.24 0.00 0.00 174.94 174.87 3kk2 s SER 48 N -2.57 1.67 0.27 4.36 0.01 -0.46 -4.23 113.70 112.76 3kk2 s SER 48 Ca 0.07 -0.31 -0.28 0.00 1.31 0.00 0.00 55.95 56.75 3kk2 s SER 48 Cb -0.02 -0.17 -0.14 0.00 0.21 0.00 0.00 66.02 65.90 3kk2 s SER 48 CO 0.00 0.14 0.95 0.29 0.41 0.00 0.00 173.24 175.03 3kk2 n LYS 49 N 2.52 1.17 -4.25 12.44 4.76 -1.26 -1.62 118.16 131.92 3kk2 n LYS 49 Ca -0.15 0.41 -0.14 0.00 -2.87 0.00 0.00 58.31 55.56 3kk2 n LYS 49 Cb 0.55 -1.73 -0.10 0.00 -1.84 0.00 0.00 35.03 31.90 3kk2 n LYS 49 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3kk2 s ILE 50 N -1.02 0.57 0.00 -0.18 -4.36 -0.31 -4.82 121.20 111.08 3kk2 s ILE 50 Ca 0.60 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 3kk2 s ILE 50 Cb -0.74 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 40.72 3kk2 s ILE 50 CO 0.59 -0.34 0.00 0.61 0.24 0.00 0.00 174.94 176.04 3kk2 n GLY 51 N -0.28 1.51 0.10 6.27 0.00 -1.26 -4.37 105.19 107.15 3kk2 n GLY 51 Ca -0.04 -2.06 0.15 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.91 1.02 0.09 1.61 -0.04 -1.26 -3.59 135.00 131.91 3kk2 n PRO 52 Ca 0.00 -0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.39 3kk2 n PRO 52 Cb 0.00 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.11 3kk2 n PRO 52 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3kk2 h GLU 53 N 0.47 0.00 -6.24 0.54 9.09 -2.02 -3.41 114.58 113.01 3kk2 h GLU 53 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 3kk2 h GLU 53 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.24 3kk2 h GLU 53 CO 0.00 0.00 1.06 1.21 0.05 0.00 0.00 179.01 181.33 3kk2 s ASN 54 N -4.69 6.69 0.00 3.06 3.84 -1.24 -4.90 114.94 117.70 3kk2 s ASN 54 Ca 0.05 2.09 0.29 0.00 0.21 0.00 0.00 52.86 55.51 3kk2 s ASN 54 Cb 0.12 -2.53 1.37 0.00 -0.55 0.00 0.00 41.25 39.65 3kk2 s ASN 54 CO 0.72 -0.93 1.96 -2.65 -2.79 0.00 0.00 177.10 173.42 3kk2 n PRO 55 N 7.09 0.46 -3.98 0.43 -0.02 -1.26 -4.94 135.00 132.77 3kk2 n PRO 55 Ca 0.17 -0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.35 3kk2 n PRO 55 Cb 0.43 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.39 3kk2 n PRO 55 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3kk2 s TYR 56 N -2.59 3.41 -0.17 6.00 2.02 -1.26 -4.80 117.35 119.95 3kk2 s TYR 56 Ca 0.27 -0.00 -0.30 0.00 -0.37 0.00 0.00 57.07 56.66 3kk2 s TYR 56 Cb 0.20 -1.57 0.13 0.00 -0.40 0.00 0.00 41.96 40.33 3kk2 s TYR 56 CO 0.48 0.46 1.04 1.21 -1.57 0.00 0.00 175.55 177.17 3kk2 s ASN 57 N -3.81 -0.33 -0.19 2.29 2.47 0.36 -4.72 114.94 111.01 3kk2 s ASN 57 Ca 0.34 0.36 -0.08 0.00 0.42 0.00 0.00 52.86 53.89 3kk2 s ASN 57 Cb -0.09 0.27 0.08 0.00 -1.45 0.00 0.00 41.25 40.05 3kk2 s ASN 57 CO 0.28 -0.31 0.42 -0.89 -3.72 0.00 0.00 177.10 172.89 3kk2 s THR 58 N -1.12 -0.35 0.68 -5.21 2.01 -0.92 -1.03 115.64 109.70 3kk2 s THR 58 Ca -0.00 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.98 3kk2 s THR 58 Cb -0.01 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.87 3kk2 s THR 58 CO 0.00 0.05 1.12 -2.16 -0.69 0.00 0.00 174.62 172.95 3kk2 s PRO 59 N 2.04 2.63 0.18 4.92 0.04 -1.26 -4.33 135.00 139.22 3kk2 s PRO 59 Ca -0.05 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.48 3kk2 s PRO 59 Cb -0.10 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 3kk2 s PRO 59 CO -0.13 -1.39 -0.10 0.14 0.04 0.00 0.00 177.00 175.55 3kk2 s VAL 60 N -2.33 1.34 0.00 -0.36 -7.23 -1.26 -2.13 120.40 108.44 3kk2 s VAL 60 Ca 0.68 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3kk2 s VAL 60 Cb -0.22 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.75 3kk2 s VAL 60 CO 0.43 -0.65 0.00 2.22 -0.31 0.00 0.00 175.10 176.79 3kk2 n PHE 61 N -0.28 -0.41 -3.95 2.82 -1.74 -0.58 -4.88 117.46 108.43 3kk2 n PHE 61 Ca -0.09 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.71 3kk2 n PHE 61 Cb 0.61 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.51 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 -1.00 0.03 0.15 1.98 0.00 -1.26 -1.16 121.76 120.50 3kk2 s ALA 62 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 51.42 3kk2 s ALA 62 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3kk2 s ALA 62 CO 0.00 -0.29 -0.18 0.96 0.00 0.00 0.00 175.76 176.25 3kk2 s ILE 63 N -2.50 1.75 -0.84 0.00 -4.36 -0.20 -4.91 121.20 110.13 3kk2 s ILE 63 Ca -0.06 -1.83 -0.05 0.00 -0.26 0.00 0.00 60.65 58.46 3kk2 s ILE 63 Cb -0.02 -1.76 0.21 0.00 1.25 0.00 0.00 42.46 42.14 3kk2 s ILE 63 CO -0.04 -0.28 0.73 -0.75 0.24 0.00 0.00 174.94 174.84 3kk2 s LYS 64 N -2.62 3.25 0.12 0.37 2.47 -1.26 -0.44 119.74 121.64 3kk2 s LYS 64 Ca 0.13 -2.97 -0.31 0.00 -1.56 0.00 0.00 55.97 51.26 3kk2 s LYS 64 Cb -0.06 -4.03 -0.10 0.00 -1.46 0.00 0.00 37.83 32.17 3kk2 s LYS 64 CO 0.06 -1.24 1.68 0.21 0.16 0.00 0.00 175.35 176.21 3kk2 s LYS 65 N -0.80 4.18 3.28 4.03 2.47 -1.25 -4.61 119.74 127.05 3kk2 s LYS 65 Ca 0.24 2.43 0.00 0.00 -1.56 0.00 0.00 55.97 57.08 3kk2 s LYS 65 Cb -0.11 -3.41 0.00 0.00 -1.46 0.00 0.00 37.83 32.84 3kk2 s LYS 65 CO -0.09 -0.72 0.00 1.17 0.16 0.00 0.00 175.35 175.87 3kk2 n LYS 66 N 4.97 0.00 -2.90 4.03 0.00 -1.26 -2.15 118.16 120.85 3kk2 n LYS 66 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 58.31 58.03 3kk2 n LYS 66 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 3kk2 n LYS 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3kk2 n ASP 67 N -3.16 5.50 -4.79 3.14 10.43 -1.26 -5.01 116.55 121.41 3kk2 n ASP 67 Ca 0.00 -3.11 -0.22 0.00 2.57 0.00 0.00 54.79 54.03 3kk2 n ASP 67 Cb 0.00 -1.44 -0.05 0.00 1.84 0.00 0.00 41.12 41.47 3kk2 n ASP 67 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3kk2 s SER 68 N 1.05 5.31 0.00 -2.24 0.15 -0.92 -4.98 113.70 112.07 3kk2 s SER 68 Ca 0.37 -0.34 0.27 0.00 0.70 0.00 0.00 55.95 56.94 3kk2 s SER 68 Cb 0.00 -1.27 0.77 0.00 -1.71 0.00 0.00 66.02 63.81 3kk2 s SER 68 CO 0.00 -0.04 1.59 0.35 1.20 0.00 0.00 173.24 176.34 3kk2 n THR 69 N -1.12 0.00 -3.73 6.45 -2.24 -1.26 -4.86 114.28 107.51 3kk2 n THR 69 Ca -0.07 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.06 3kk2 n THR 69 Cb 0.58 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.49 3kk2 n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kk2 s LYS 70 N -2.07 4.16 0.14 -0.78 -0.14 -1.26 -5.09 119.74 114.70 3kk2 s LYS 70 Ca 0.33 -0.21 -0.04 0.00 -1.36 0.00 0.00 55.97 54.70 3kk2 s LYS 70 Cb 0.20 -3.41 -0.05 0.00 -1.68 0.00 0.00 37.83 32.89 3kk2 s LYS 70 CO 0.35 0.32 0.37 -1.58 -0.76 0.00 0.00 175.35 174.05 3kk2 s TRP 71 N 0.31 3.48 -0.14 3.18 0.52 -1.26 -3.78 118.94 121.25 3kk2 s TRP 71 Ca 0.09 0.52 0.02 0.00 0.02 0.00 0.00 56.10 56.75 3kk2 s TRP 71 Cb -0.11 -1.98 0.01 0.00 -1.15 0.00 0.00 33.47 30.24 3kk2 s TRP 71 CO -0.02 0.44 -0.22 0.50 0.02 0.00 0.00 176.95 177.68 3kk2 s ARG 72 N -2.70 3.03 0.20 4.98 3.00 0.42 -4.93 118.95 122.95 3kk2 s ARG 72 Ca 0.40 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.73 53.99 3kk2 s ARG 72 Cb -0.12 -2.44 -0.08 0.00 0.00 0.00 0.00 34.95 32.31 3kk2 s ARG 72 CO 0.25 -0.01 1.14 0.21 0.00 0.00 0.00 175.30 176.89 3kk2 s LYS 73 N 0.80 4.56 -0.14 5.12 2.20 -1.26 -1.04 119.74 129.98 3kk2 s LYS 73 Ca -0.07 1.80 -0.01 0.00 -0.36 0.00 0.00 55.97 57.33 3kk2 s LYS 73 Cb -0.16 -3.25 0.04 0.00 -1.51 0.00 0.00 37.83 32.96 3kk2 s LYS 73 CO -0.02 0.03 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.80 3kk2 s LEU 74 N -0.51 1.27 -0.50 5.43 2.96 -0.30 -4.94 118.68 122.08 3kk2 s LEU 74 Ca 0.50 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.79 3kk2 s LEU 74 Cb -0.31 -0.76 0.12 0.00 0.50 0.00 0.00 46.19 45.73 3kk2 s LEU 74 CO 0.37 -0.19 0.41 -0.69 -1.32 0.00 0.00 176.35 174.93 3kk2 s VAL 75 N 1.74 4.70 -0.60 1.68 1.01 -1.26 -1.53 120.40 126.14 3kk2 s VAL 75 Ca 0.02 -1.61 -0.29 0.00 0.00 0.00 0.00 61.98 60.10 3kk2 s VAL 75 Cb -0.14 -4.03 -0.12 0.00 0.00 0.00 0.00 36.38 32.09 3kk2 s VAL 75 CO -0.07 -0.79 2.45 -0.67 0.00 0.00 0.00 175.10 176.01 3kk2 n ASP 76 N 5.07 1.71 -0.84 3.32 -0.08 -0.90 -4.74 116.55 120.09 3kk2 n ASP 76 Ca -0.11 -0.10 0.07 0.00 -1.51 0.00 0.00 54.79 53.14 3kk2 n ASP 76 Cb 0.41 -1.32 0.21 0.00 2.34 0.00 0.00 41.12 42.75 3kk2 n ASP 76 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3kk2 n PHE 77 N 13.00 0.71 0.23 -0.67 3.72 -1.26 -4.15 117.46 129.03 3kk2 n PHE 77 Ca 0.46 -0.60 0.11 0.00 -0.05 0.00 0.00 57.45 57.37 3kk2 n PHE 77 Cb 0.33 -0.12 0.47 0.00 -0.94 0.00 0.00 39.48 39.22 3kk2 n PHE 77 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3kk2 h ARG 78 N 2.30 0.00 0.47 -1.08 0.11 -1.87 0.20 114.38 114.51 3kk2 h ARG 78 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3kk2 h ARG 78 Cb 0.99 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.08 3kk2 h ARG 78 CO 0.08 0.18 -0.22 1.49 0.10 0.00 0.00 179.97 181.60 3kk2 h GLU 79 N 0.00 -0.60 -0.77 0.08 4.57 -1.98 -0.27 114.58 115.61 3kk2 h GLU 79 Ca -0.00 0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.40 3kk2 h GLU 79 Cb 0.74 0.14 -0.12 0.00 -0.16 0.00 0.00 28.75 29.35 3kk2 h GLU 79 CO 0.02 -0.40 0.12 1.25 -1.18 0.00 0.00 179.01 178.82 3kk2 h LEU 80 N -0.73 -0.13 -0.12 1.64 5.85 -1.79 0.69 115.31 120.73 3kk2 h LEU 80 Ca -0.06 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3kk2 h LEU 80 Cb 0.48 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3kk2 h LEU 80 CO 0.10 -0.12 0.00 0.78 -0.34 0.00 0.00 178.44 178.87 3kk2 h ASN 81 N 0.19 -0.04 -0.89 1.25 2.35 -0.61 0.15 115.58 117.98 3kk2 h ASN 81 Ca 0.44 0.02 0.22 0.00 -0.55 0.00 0.00 56.30 56.43 3kk2 h ASN 81 Cb 0.79 0.04 -0.13 0.00 0.05 0.00 0.00 38.32 39.07 3kk2 h ASN 81 CO -0.60 -0.00 0.36 0.11 -1.65 0.00 0.00 177.43 175.65 3kk2 h LYS 82 N 0.04 0.34 -0.01 0.81 1.57 0.97 -1.71 116.57 118.58 3kk2 h LYS 82 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kk2 h LYS 82 Cb 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3kk2 h LYS 82 CO -0.09 0.23 -0.29 0.54 -0.57 0.00 0.00 179.45 179.27 3kk2 n ARG 83 N -5.08 0.76 -2.63 3.15 1.74 -0.30 -4.88 116.66 109.41 3kk2 n ARG 83 Ca 0.22 -0.45 -0.40 0.00 -0.77 0.00 0.00 57.85 56.45 3kk2 n ARG 83 Cb 0.66 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.56 3.83 0.39 0.55 2.01 0.37 -1.33 115.64 118.90 3kk2 s THR 84 Ca 0.23 1.80 -0.26 0.00 0.31 0.00 0.00 61.69 63.77 3kk2 s THR 84 Cb 0.19 -4.13 -0.11 0.00 0.01 0.00 0.00 72.50 68.46 3kk2 s THR 84 CO 0.54 0.39 1.16 1.67 -0.69 0.00 0.00 174.62 177.69 3kk2 n GLN 85 N 1.23 1.71 -1.92 4.92 -0.06 -0.91 -4.46 117.38 117.89 3kk2 n GLN 85 Ca -0.01 0.61 -0.39 0.00 -2.00 0.00 0.00 57.00 55.21 3kk2 n GLN 85 Cb 0.46 -2.19 -0.03 0.00 -4.06 0.00 0.00 30.24 24.42 3kk2 n GLN 85 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3kk2 s ASP 86 N -0.56 5.24 -0.04 1.69 1.01 -1.26 -4.64 116.67 118.12 3kk2 s ASP 86 Ca 0.60 0.76 -0.12 0.00 0.71 0.00 0.00 52.55 54.50 3kk2 s ASP 86 Cb -0.56 -2.52 -0.32 0.00 1.01 0.00 0.00 42.92 40.53 3kk2 s ASP 86 CO 0.59 -2.32 0.72 -0.26 0.21 0.00 0.00 175.17 174.11 3kk2 h PHE 87 N 15.45 0.77 0.00 4.23 0.04 -1.87 -1.70 116.94 133.86 3kk2 h PHE 87 Ca -0.28 -0.56 0.00 0.00 2.80 0.00 0.00 57.97 59.93 3kk2 h PHE 87 Cb 1.19 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.31 3kk2 h PHE 87 CO 1.00 1.67 0.00 1.87 -0.60 0.00 0.00 178.31 182.25 3kk2 n TRP 88 N -3.61 0.00 -0.01 -0.55 -0.00 -1.26 -0.14 117.44 111.87 3kk2 n TRP 88 Ca -0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.22 3kk2 n TRP 88 Cb 1.08 -0.41 -0.01 0.00 -0.00 0.00 0.00 31.31 31.97 3kk2 n TRP 88 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 3kk2 n GLU 89 N -3.30 0.09 0.19 5.87 2.13 -1.25 -4.43 120.64 119.93 3kk2 n GLU 89 Ca 0.00 0.04 0.06 0.00 0.66 0.00 0.00 57.16 57.92 3kk2 n GLU 89 Cb 0.00 -0.65 0.35 0.00 0.27 0.00 0.00 31.44 31.42 3kk2 n GLU 89 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3kk2 h VAL 90 N -0.15 0.83 -0.57 6.31 2.07 -1.30 -3.32 116.25 120.13 3kk2 h VAL 90 Ca -0.09 -1.46 -0.33 0.00 0.82 0.00 0.00 66.70 65.64 3kk2 h VAL 90 Cb 0.95 1.90 -0.41 0.00 -1.52 0.00 0.00 31.29 32.21 3kk2 h VAL 90 CO -0.05 0.34 -1.04 0.00 0.02 0.00 0.00 177.57 176.84 3kk2 n GLN 91 N -3.52 2.21 -3.74 1.57 1.13 -0.19 -4.94 117.38 109.91 3kk2 n GLN 91 Ca -0.00 -3.69 -0.13 0.00 -1.94 0.00 0.00 57.00 51.25 3kk2 n GLN 91 Cb 0.50 -1.77 -0.10 0.00 0.11 0.00 0.00 30.24 28.97 3kk2 n GLN 91 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3kk2 s LEU 92 N -3.71 0.47 -0.14 1.08 1.43 0.81 -4.70 118.68 113.91 3kk2 s LEU 92 Ca 0.34 0.78 0.18 0.00 -1.03 0.00 0.00 54.13 54.40 3kk2 s LEU 92 Cb 0.35 1.31 0.36 0.00 0.03 0.00 0.00 46.19 48.25 3kk2 s LEU 92 CO -0.02 -0.14 1.23 0.61 0.23 0.00 0.00 176.35 178.27 3kk2 n GLY 93 N 3.03 4.60 3.62 -3.19 0.00 -1.26 -4.71 105.19 107.29 3kk2 n GLY 93 Ca -0.14 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.84 3.61 0.58 -0.61 1.09 -1.26 -5.01 121.20 116.76 3kk2 s ILE 94 Ca 0.35 0.68 -0.18 0.00 -1.10 0.00 0.00 60.65 60.40 3kk2 s ILE 94 Cb 0.30 -3.65 -0.04 0.00 -1.06 0.00 0.00 42.46 38.01 3kk2 s ILE 94 CO 0.05 -0.29 1.12 -2.84 -0.10 0.00 0.00 174.94 172.88 3kk2 s PRO 95 N 4.87 3.17 -0.17 2.79 0.02 -1.26 -5.03 135.00 139.40 3kk2 s PRO 95 Ca 0.74 1.53 -0.21 0.00 0.02 0.00 0.00 61.00 63.08 3kk2 s PRO 95 Cb -0.25 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.25 3kk2 s PRO 95 CO 0.31 -0.98 0.63 -1.58 -0.33 0.00 0.00 177.00 175.05 3kk2 s HIS 96 N -1.97 3.42 -0.64 6.54 2.46 -1.26 -4.99 115.29 118.85 3kk2 s HIS 96 Ca 0.71 0.98 -0.26 0.00 0.47 0.00 0.00 55.06 56.96 3kk2 s HIS 96 Cb -0.23 -2.78 -0.10 0.00 -0.13 0.00 0.00 32.58 29.35 3kk2 s HIS 96 CO 0.32 -0.10 2.40 -2.14 -2.47 0.00 0.00 174.74 172.75 3kk2 s PRO 97 N 1.59 1.88 0.52 2.88 0.02 -1.26 -4.80 135.00 135.83 3kk2 s PRO 97 Ca 0.30 0.95 0.32 0.00 0.02 0.00 0.00 61.00 62.60 3kk2 s PRO 97 Cb -0.16 -4.68 1.31 0.00 0.02 0.00 0.00 34.50 30.99 3kk2 s PRO 97 CO 0.12 -3.82 1.95 0.00 -0.33 0.00 0.00 177.00 174.92 3kk2 h ALA 98 N 16.29 1.00 0.00 -1.55 0.00 -1.93 -2.29 119.26 130.78 3kk2 h ALA 98 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kk2 h ALA 98 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kk2 h ALA 98 CO 1.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.75 3kk2 n GLY 99 N 0.06 -1.66 0.31 0.00 0.00 -1.26 -3.33 105.19 99.31 3kk2 n GLY 99 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 3kk2 n GLY 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kk2 h LEU 100 N 0.00 1.04 0.00 0.99 5.85 -1.74 -2.64 115.31 118.82 3kk2 h LEU 100 Ca 0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3kk2 h LEU 100 Cb 0.68 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3kk2 h LEU 100 CO 0.00 1.07 0.00 2.29 -0.34 0.00 0.00 178.44 181.46 3kk2 n LYS 101 N -4.21 0.03 -0.20 1.25 2.85 -1.21 -2.65 118.16 114.02 3kk2 n LYS 101 Ca 0.03 0.30 0.08 0.00 -1.05 0.00 0.00 58.31 57.68 3kk2 n LYS 101 Cb 0.32 -1.50 0.12 0.00 -0.65 0.00 0.00 35.03 33.32 3kk2 n LYS 101 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3kk2 n LYS 102 N -1.33 1.08 -3.66 -1.58 5.02 -0.99 -4.33 118.16 112.36 3kk2 n LYS 102 Ca 0.01 -2.37 -0.36 0.00 -2.02 0.00 0.00 58.31 53.57 3kk2 n LYS 102 Cb 0.02 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3kk2 n LYS 102 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kk2 s LYS 103 N -2.40 3.70 0.13 1.97 -0.14 -1.08 -4.87 119.74 117.05 3kk2 s LYS 103 Ca 0.27 0.13 -0.29 0.00 -1.36 0.00 0.00 55.97 54.73 3kk2 s LYS 103 Cb 0.24 -3.13 -0.06 0.00 -1.68 0.00 0.00 37.83 33.21 3kk2 s LYS 103 CO 0.02 0.67 1.59 -0.22 -0.76 0.00 0.00 175.35 176.64 3kk2 h LYS 104 N 4.33 -0.49 -5.34 1.68 3.64 -1.77 -3.22 116.57 115.40 3kk2 h LYS 104 Ca -0.51 0.03 -0.53 0.00 -1.27 0.00 0.00 60.65 58.37 3kk2 h LYS 104 Cb 1.21 0.11 -0.30 0.00 -0.41 0.00 0.00 32.23 32.84 3kk2 h LYS 104 CO 0.63 -0.32 -0.83 -1.12 -2.27 0.00 0.00 179.45 175.54 3kk2 s SER 105 N -4.85 1.96 -0.07 4.20 0.01 0.09 -4.29 113.70 110.75 3kk2 s SER 105 Ca -0.16 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 56.80 3kk2 s SER 105 Cb 0.09 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.94 3kk2 s SER 105 CO 0.64 0.17 -0.08 -0.69 0.41 0.00 0.00 173.24 173.69 3kk2 s VAL 106 N -0.13 0.86 -0.03 3.43 1.01 0.14 -0.09 120.40 125.58 3kk2 s VAL 106 Ca 0.01 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3kk2 s VAL 106 Cb -0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3kk2 s VAL 106 CO 0.01 0.31 -0.01 -0.89 0.00 0.00 0.00 175.10 174.51 3kk2 s THR 107 N 1.05 4.10 -0.38 3.92 2.01 0.12 -0.37 115.64 126.09 3kk2 s THR 107 Ca -0.08 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 3kk2 s THR 107 Cb -0.14 -2.77 0.03 0.00 0.01 0.00 0.00 72.50 69.62 3kk2 s THR 107 CO -0.01 0.47 0.22 -0.69 -0.69 0.00 0.00 174.62 173.93 3kk2 s VAL 108 N -0.98 4.65 -0.02 3.82 1.01 -1.25 -0.65 120.40 126.97 3kk2 s VAL 108 Ca 0.17 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 3kk2 s VAL 108 Cb -0.11 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3kk2 s VAL 108 CO 0.07 -0.25 0.24 -0.76 0.00 0.00 0.00 175.10 174.39 3kk2 s LEU 109 N 1.57 4.38 -0.75 3.92 1.43 0.15 -2.67 118.68 126.70 3kk2 s LEU 109 Ca 0.02 0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 53.46 3kk2 s LEU 109 Cb -0.19 -2.54 0.12 0.00 0.03 0.00 0.00 46.19 43.61 3kk2 s LEU 109 CO 0.07 0.29 0.91 -0.62 0.23 0.00 0.00 176.35 177.23 3kk2 s ASP 110 N -1.58 6.40 -0.01 2.29 2.15 -1.26 0.07 116.67 124.73 3kk2 s ASP 110 Ca 0.25 -1.70 0.13 0.00 0.43 0.00 0.00 52.55 51.66 3kk2 s ASP 110 Cb -0.13 -2.35 0.39 0.00 -0.30 0.00 0.00 42.92 40.53 3kk2 s ASP 110 CO 0.14 -1.10 1.31 1.33 -0.17 0.00 0.00 175.17 176.68 3kk2 n VAL 111 N 5.42 0.66 -0.28 1.11 0.24 0.11 -4.41 118.33 121.18 3kk2 n VAL 111 Ca 0.06 -0.60 0.33 0.00 -2.04 0.00 0.00 64.34 62.09 3kk2 n VAL 111 Cb 0.46 0.24 0.73 0.00 -1.47 0.00 0.00 33.84 33.80 3kk2 n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3kk2 h GLY 112 N 5.00 0.05 2.00 7.63 0.00 -1.64 -1.51 103.07 114.60 3kk2 h GLY 112 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 3kk2 h GLY 112 CO 0.02 -0.01 -0.28 -1.80 0.00 0.00 0.00 176.54 174.47 3kk2 h ASP 113 N 0.02 0.00 0.23 0.19 1.82 -1.89 -2.59 116.42 114.20 3kk2 h ASP 113 Ca 0.53 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.17 3kk2 h ASP 113 Cb 2.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.09 3kk2 h ASP 113 CO -0.02 0.28 0.00 0.00 -1.61 0.00 0.00 179.24 177.89 3kk2 n ALA 114 N -2.47 1.72 0.15 -0.78 0.00 -0.57 -2.85 120.51 115.70 3kk2 n ALA 114 Ca -0.02 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.39 3kk2 n ALA 114 Cb 0.33 -1.20 0.13 0.00 0.00 0.00 0.00 19.45 18.71 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 0.00 0.00 0.00 0.99 -1.65 -3.26 116.97 113.05 3kk2 h TYR 115 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kk2 h TYR 115 Cb 0.12 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.85 3kk2 h TYR 115 CO 0.00 0.49 0.00 1.19 -0.00 0.00 0.00 178.16 179.84 3kk2 n PHE 116 N -3.33 0.00 0.05 4.88 3.72 -1.13 -2.48 117.46 119.17 3kk2 n PHE 116 Ca 0.01 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.30 3kk2 n PHE 116 Cb 0.67 -0.11 -0.13 0.00 -0.94 0.00 0.00 39.48 38.97 3kk2 n PHE 116 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kk2 h SER 117 N 0.00 0.16 -3.35 4.37 4.64 -1.81 -3.44 113.55 114.11 3kk2 h SER 117 Ca 0.00 -0.20 -0.57 0.00 -0.47 0.00 0.00 61.79 60.54 3kk2 h SER 117 Cb 0.07 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 62.03 3kk2 h SER 117 CO 0.00 1.16 -0.05 -0.69 -0.87 0.00 0.00 176.83 176.38 3kk2 s VAL 118 N -2.66 5.13 0.76 0.95 1.01 -1.04 -5.01 120.40 119.55 3kk2 s VAL 118 Ca -0.03 1.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.93 3kk2 s VAL 118 Cb 0.08 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.63 3kk2 s VAL 118 CO 0.84 0.28 1.12 -2.16 0.00 0.00 0.00 175.10 175.17 3kk2 s PRO 119 N 0.85 2.20 -0.07 2.72 0.04 -1.26 -2.12 135.00 137.36 3kk2 s PRO 119 Ca 0.29 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.71 3kk2 s PRO 119 Cb -0.16 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3kk2 s PRO 119 CO 0.12 -1.71 -0.17 -1.17 0.04 0.00 0.00 177.00 174.12 3kk2 s LEU 120 N -5.66 2.55 -0.36 -3.56 1.98 0.13 -4.62 118.68 109.14 3kk2 s LEU 120 Ca 0.65 -0.31 -0.41 0.00 -2.89 0.00 0.00 54.13 51.17 3kk2 s LEU 120 Cb -0.20 -1.52 -0.16 0.00 0.66 0.00 0.00 46.19 44.97 3kk2 s LEU 120 CO 0.51 0.28 1.84 -0.67 -1.89 0.00 0.00 176.35 176.42 3kk2 n ASP 121 N 2.75 1.93 -0.26 3.68 2.03 -1.26 -4.77 116.55 120.65 3kk2 n ASP 121 Ca -0.17 0.95 0.09 0.00 0.52 0.00 0.00 54.79 56.17 3kk2 n ASP 121 Cb 0.52 -1.08 0.18 0.00 -0.72 0.00 0.00 41.12 40.02 3kk2 n ASP 121 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3kk2 n GLU 122 N 5.83 -0.06 0.00 -0.67 4.07 -1.26 0.33 120.64 128.88 3kk2 n GLU 122 Ca 0.33 1.12 0.13 0.00 -0.06 0.00 0.00 57.16 58.69 3kk2 n GLU 122 Cb 0.09 -1.75 0.59 0.00 -0.06 0.00 0.00 31.44 30.31 3kk2 n GLU 122 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3kk2 n ASP 123 N -5.09 0.00 0.02 4.31 8.00 -1.26 -2.99 116.55 119.54 3kk2 n ASP 123 Ca 0.16 0.42 0.03 0.00 0.71 0.00 0.00 54.79 56.11 3kk2 n ASP 123 Cb 0.50 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 3kk2 n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3kk2 n PHE 124 N -1.47 0.63 -0.24 1.24 7.35 0.15 -4.55 117.46 120.56 3kk2 n PHE 124 Ca 0.07 0.20 0.05 0.00 -0.76 0.00 0.00 57.45 57.01 3kk2 n PHE 124 Cb 0.31 -0.93 0.16 0.00 0.35 0.00 0.00 39.48 39.37 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 0.17 0.00 -4.13 3.08 -1.42 0.97 114.38 113.05 3kk2 h ARG 125 Ca -0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3kk2 h ARG 125 Cb 1.44 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.45 3kk2 h ARG 125 CO 0.02 0.11 0.21 1.57 -1.07 0.00 0.00 179.97 180.82 3kk2 h LYS 126 N 0.17 0.00 0.00 0.04 2.10 -1.80 0.60 116.57 117.68 3kk2 h LYS 126 Ca 0.40 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3kk2 h LYS 126 Cb 0.70 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 3kk2 h LYS 126 CO -0.58 0.00 -0.61 1.88 -2.00 0.00 0.00 179.45 178.14 3kk2 h TYR 127 N 0.00 0.00 -0.46 0.07 0.05 -1.13 -3.31 116.97 112.19 3kk2 h TYR 127 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3kk2 h TYR 127 Cb 0.42 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 3kk2 h TYR 127 CO 0.00 0.02 0.04 0.25 -1.05 0.00 0.00 178.16 177.41 3kk2 n THR 128 N -2.85 2.15 -2.22 -2.88 -2.24 0.20 -4.65 114.28 101.79 3kk2 n THR 128 Ca 0.01 -1.09 -0.39 0.00 -2.27 0.00 0.00 64.05 60.31 3kk2 n THR 128 Cb 0.55 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 3kk2 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kk2 s ALA 129 N -2.35 3.21 0.09 6.98 0.00 -1.25 -4.07 121.76 124.37 3kk2 s ALA 129 Ca 0.42 1.06 -0.08 0.00 0.00 0.00 0.00 51.96 53.36 3kk2 s ALA 129 Cb 0.32 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 3kk2 s ALA 129 CO 0.12 -0.61 0.17 -0.59 0.00 0.00 0.00 175.76 174.85 3kk2 s PHE 130 N -1.34 0.21 -0.08 0.00 -0.71 -0.55 -2.17 117.98 113.34 3kk2 s PHE 130 Ca 0.56 -0.65 0.01 0.00 -1.04 0.00 0.00 56.93 55.82 3kk2 s PHE 130 Cb -0.33 -0.09 0.02 0.00 -1.21 0.00 0.00 43.02 41.40 3kk2 s PHE 130 CO 0.42 -0.54 -0.09 0.99 -1.34 0.00 0.00 175.22 174.66 3kk2 s THR 131 N -3.87 1.00 -0.11 -4.49 2.01 -1.26 -0.99 115.64 107.92 3kk2 s THR 131 Ca 0.06 -0.36 -0.22 0.00 0.31 0.00 0.00 61.69 61.49 3kk2 s THR 131 Cb 0.05 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 3kk2 s THR 131 CO -0.10 0.34 0.65 -0.63 -0.69 0.00 0.00 174.62 174.18 3kk2 s ILE 132 N 1.04 5.06 0.72 1.82 1.01 -0.57 -4.74 121.20 125.54 3kk2 s ILE 132 Ca -0.08 1.31 -0.11 0.00 0.00 0.00 0.00 60.65 61.77 3kk2 s ILE 132 Cb -0.15 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.38 3kk2 s ILE 132 CO -0.01 0.23 1.09 -2.16 0.00 0.00 0.00 174.94 174.10 3kk2 s PRO 133 N 1.03 2.60 0.12 2.79 0.04 -1.26 -1.77 135.00 138.54 3kk2 s PRO 133 Ca 0.34 0.28 0.10 0.00 0.04 0.00 0.00 61.00 61.75 3kk2 s PRO 133 Cb -0.17 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3kk2 s PRO 133 CO 0.15 -1.16 -0.25 -1.54 0.04 0.00 0.00 177.00 174.25 3kk2 s SER 134 N -4.42 3.02 0.26 6.66 1.04 -1.26 -4.94 113.70 114.06 3kk2 s SER 134 Ca 0.59 -0.72 -0.31 0.00 0.48 0.00 0.00 55.95 55.99 3kk2 s SER 134 Cb -0.11 -0.19 -0.12 0.00 0.10 0.00 0.00 66.02 65.70 3kk2 s SER 134 CO 0.50 0.14 1.65 -0.38 0.98 0.00 0.00 173.24 176.13 3kk2 n ILE 135 N 1.02 0.60 -1.59 -1.02 5.41 -1.26 -2.06 119.36 120.46 3kk2 n ILE 135 Ca -0.18 -0.15 -0.17 0.00 1.00 0.00 0.00 62.75 63.24 3kk2 n ILE 135 Cb 0.53 -1.98 -0.07 0.00 -0.71 0.00 0.00 39.64 37.41 3kk2 n ILE 135 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3kk2 n ASN 136 N 2.91 -4.59 -3.71 4.38 5.15 -1.26 -2.08 115.26 116.06 3kk2 n ASN 136 Ca 0.12 0.39 -0.27 0.00 -0.60 0.00 0.00 54.58 54.22 3kk2 n ASN 136 Cb 0.36 -4.11 0.04 0.00 -0.53 0.00 0.00 39.78 35.54 3kk2 n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kk2 n ASN 137 N -1.06 -5.30 0.24 1.20 3.02 -0.88 -4.81 115.26 107.67 3kk2 n ASN 137 Ca -0.18 -0.64 0.08 0.00 -0.03 0.00 0.00 54.58 53.81 3kk2 n ASN 137 Cb 0.58 -4.22 0.57 0.00 -0.61 0.00 0.00 39.78 36.10 3kk2 n ASN 137 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3kk2 h GLU 138 N -2.10 0.00 -4.95 3.52 4.81 -1.64 -3.43 114.58 110.80 3kk2 h GLU 138 Ca -0.56 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.32 3kk2 h GLU 138 Cb 1.37 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.60 3kk2 h GLU 138 CO 0.62 0.17 -0.64 0.95 -0.73 0.00 0.00 179.01 179.39 3kk2 s THR 139 N -4.47 0.78 0.91 0.32 -4.23 -1.26 -5.13 115.64 102.56 3kk2 s THR 139 Ca -0.04 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 3kk2 s THR 139 Cb 0.15 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.72 3kk2 s THR 139 CO 0.66 -0.23 1.11 -2.16 -0.54 0.00 0.00 174.62 173.46 3kk2 s PRO 140 N -3.94 1.06 0.54 3.99 0.04 -1.26 -4.61 135.00 130.82 3kk2 s PRO 140 Ca 0.31 1.25 -0.21 0.00 0.04 0.00 0.00 61.00 62.39 3kk2 s PRO 140 Cb 0.07 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 3kk2 s PRO 140 CO 0.10 -2.50 1.07 0.41 0.04 0.00 0.00 177.00 176.12 3kk2 n GLY 141 N -0.25 -0.02 3.30 0.56 0.00 -1.26 -4.79 105.19 102.72 3kk2 n GLY 141 Ca 0.09 -0.02 -0.37 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 -1.40 3.81 -0.03 -0.61 -1.09 -0.73 -4.91 121.20 116.25 3kk2 s ILE 142 Ca 0.71 -0.95 -0.10 0.00 -2.23 0.00 0.00 60.65 58.08 3kk2 s ILE 142 Cb -0.45 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 3kk2 s ILE 142 CO 0.50 -0.05 0.30 -0.13 -1.23 0.00 0.00 174.94 174.32 3kk2 s ARG 143 N 1.44 3.69 0.22 2.79 0.52 -1.26 -1.52 118.95 124.83 3kk2 s ARG 143 Ca 0.00 0.14 0.04 0.00 -0.52 0.00 0.00 55.73 55.39 3kk2 s ARG 143 Cb -0.18 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.07 3kk2 s ARG 143 CO 0.02 0.70 -0.03 0.71 0.02 0.00 0.00 175.30 176.73 3kk2 s TYR 144 N -1.12 1.52 0.06 -0.53 2.02 -0.16 -1.16 117.35 117.97 3kk2 s TYR 144 Ca 0.22 -0.87 -0.09 0.00 -0.37 0.00 0.00 57.07 55.96 3kk2 s TYR 144 Cb -0.14 -0.86 0.00 0.00 -0.40 0.00 0.00 41.96 40.56 3kk2 s TYR 144 CO 0.11 0.01 0.20 1.14 -1.57 0.00 0.00 175.55 175.43 3kk2 s GLN 145 N -3.83 0.76 0.43 -0.62 -2.07 -0.64 -1.48 119.66 112.21 3kk2 s GLN 145 Ca 0.26 -0.76 -0.21 0.00 -1.82 0.00 0.00 55.36 52.83 3kk2 s GLN 145 Cb 0.05 0.31 -0.11 0.00 -1.09 0.00 0.00 33.01 32.17 3kk2 s GLN 145 CO 0.07 -0.23 0.96 0.71 -1.32 0.00 0.00 175.29 175.48 3kk2 s TYR 146 N -3.08 3.29 -0.06 9.60 1.51 -1.26 -1.35 117.35 126.00 3kk2 s TYR 146 Ca -0.01 1.61 0.06 0.00 -1.01 0.00 0.00 57.07 57.72 3kk2 s TYR 146 Cb 0.01 -2.86 -0.09 0.00 -0.11 0.00 0.00 41.96 38.91 3kk2 s TYR 146 CO -0.07 -0.16 0.05 0.09 -1.11 0.00 0.00 175.55 174.35 3kk2 n ASN 147 N -0.67 3.28 -3.33 2.29 5.03 0.12 -4.72 115.26 117.25 3kk2 n ASN 147 Ca 0.07 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.43 3kk2 n ASN 147 Cb 0.54 0.79 0.03 0.00 -1.02 0.00 0.00 39.78 40.11 3kk2 n ASN 147 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3kk2 n VAL 148 N -2.17 0.00 -2.54 2.41 0.24 -1.18 0.19 118.33 115.28 3kk2 n VAL 148 Ca -0.10 -0.91 -0.43 0.00 -2.04 0.00 0.00 64.34 60.87 3kk2 n VAL 148 Cb 0.63 -0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 32.30 3kk2 n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kk2 s LEU 149 N 0.00 4.23 0.29 1.34 1.43 -0.90 -4.36 118.68 120.70 3kk2 s LEU 149 Ca 0.25 1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 54.72 3kk2 s LEU 149 Cb -0.02 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 3kk2 s LEU 149 CO 0.16 -0.59 1.14 -2.84 0.23 0.00 0.00 176.35 174.45 3kk2 s PRO 150 N 2.51 4.58 0.08 1.29 0.02 -1.26 -4.17 135.00 138.05 3kk2 s PRO 150 Ca 0.52 1.88 -0.31 0.00 0.02 0.00 0.00 61.00 63.12 3kk2 s PRO 150 Cb -0.21 -3.17 -0.07 0.00 0.02 0.00 0.00 34.50 31.07 3kk2 s PRO 150 CO 0.17 0.13 1.30 -0.65 -0.33 0.00 0.00 177.00 177.62 3kk2 s GLN 151 N -1.46 4.37 0.00 5.54 -0.21 -1.26 -3.07 119.66 123.57 3kk2 s GLN 151 Ca 0.46 1.92 0.00 0.00 0.02 0.00 0.00 55.36 57.75 3kk2 s GLN 151 Cb -0.33 -3.32 0.00 0.00 1.00 0.00 0.00 33.01 30.35 3kk2 s GLN 151 CO 0.43 -0.36 0.00 0.41 -2.12 0.00 0.00 175.29 173.65 3kk2 n GLY 152 N 3.38 0.91 3.69 3.09 0.00 -1.26 -4.57 105.19 110.43 3kk2 n GLY 152 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.16 3.48 0.26 1.61 -0.00 -1.17 -4.61 118.94 116.34 3kk2 s TRP 153 Ca 0.00 1.04 0.37 0.00 -0.00 0.00 0.00 56.10 57.51 3kk2 s TRP 153 Cb 0.00 -2.75 1.71 0.00 -0.00 0.00 0.00 33.47 32.43 3kk2 s TRP 153 CO 0.00 -0.01 2.10 1.57 -0.00 0.00 0.00 176.95 180.61 3kk2 h LYS 154 N 7.05 0.00 -0.25 5.86 5.09 -1.91 0.44 116.57 132.85 3kk2 h LYS 154 Ca -0.37 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.32 3kk2 h LYS 154 Cb 1.17 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.48 3kk2 h LYS 154 CO 0.77 0.00 -0.08 0.78 -2.09 0.00 0.00 179.45 178.83 3kk2 h GLY 155 N 1.31 0.42 0.94 0.07 0.00 -1.94 -3.34 103.07 100.53 3kk2 h GLY 155 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3kk2 h GLY 155 CO 0.00 0.24 0.06 1.76 0.00 0.00 0.00 176.54 178.60 3kk2 h SER 156 N 0.37 0.13 -0.80 0.19 0.02 -1.18 -0.77 113.55 111.51 3kk2 h SER 156 Ca 0.08 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3kk2 h SER 156 Cb 0.37 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3kk2 h SER 156 CO 0.02 0.17 0.38 1.55 -1.14 0.00 0.00 176.83 177.81 3kk2 h PRO 157 N 0.07 1.16 -0.03 3.45 0.13 -1.71 -1.52 132.00 133.55 3kk2 h PRO 157 Ca 0.04 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3kk2 h PRO 157 Cb 0.07 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 30.99 3kk2 h PRO 157 CO -0.01 0.90 -0.00 0.00 -0.23 0.00 0.00 178.00 178.66 3kk2 h ALA 158 N 1.26 0.02 -0.61 -0.56 0.00 -1.59 0.13 119.26 117.93 3kk2 h ALA 158 Ca 0.28 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3kk2 h ALA 158 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kk2 h ALA 158 CO -0.03 -0.49 0.05 0.82 0.00 0.00 0.00 179.25 179.59 3kk2 h ILE 159 N 0.01 1.26 -0.00 0.00 1.08 -1.02 -2.79 117.51 116.05 3kk2 h ILE 159 Ca 0.01 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 3kk2 h ILE 159 Cb 0.01 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 3kk2 h ILE 159 CO -0.02 0.40 -0.23 0.33 -0.69 0.00 0.00 178.15 177.94 3kk2 n PHE 160 N -4.24 0.00 -0.26 1.37 7.35 -0.58 -4.33 117.46 116.77 3kk2 n PHE 160 Ca 0.03 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.64 3kk2 n PHE 160 Cb 0.32 -0.29 -0.07 0.00 0.35 0.00 0.00 39.48 39.79 3kk2 n PHE 160 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3kk2 h GLN 161 N 0.27 -0.06 -0.85 -4.13 5.75 -0.45 -1.50 115.11 114.14 3kk2 h GLN 161 Ca 0.00 0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.64 3kk2 h GLN 161 Cb 0.46 0.01 -0.14 0.00 1.07 0.00 0.00 27.48 28.88 3kk2 h GLN 161 CO 0.00 -0.04 -0.37 0.66 -2.65 0.00 0.00 178.83 176.42 3kk2 h SER 162 N -0.06 -1.35 0.48 -0.69 4.64 -1.79 0.11 113.55 114.87 3kk2 h SER 162 Ca 0.10 0.28 -0.08 0.00 -0.47 0.00 0.00 61.79 61.62 3kk2 h SER 162 Cb 0.32 0.70 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 3kk2 h SER 162 CO -0.62 -0.29 -0.37 0.28 -0.87 0.00 0.00 176.83 174.96 3kk2 h SER 163 N -0.06 0.00 -0.44 4.97 0.02 -1.61 -2.37 113.55 114.06 3kk2 h SER 163 Ca 0.30 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.15 3kk2 h SER 163 Cb 0.58 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3kk2 h SER 163 CO -0.87 0.37 -0.11 -0.03 -1.14 0.00 0.00 176.83 175.04 3kk2 h MET 164 N 0.00 0.91 -0.75 3.45 -1.53 0.01 -1.73 114.93 115.29 3kk2 h MET 164 Ca -0.00 -0.32 -0.05 0.00 -3.44 0.00 0.00 59.70 55.89 3kk2 h MET 164 Cb 0.70 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.66 3kk2 h MET 164 CO 0.05 0.97 0.28 1.15 0.14 0.00 0.00 176.91 179.50 3kk2 h THR 165 N 0.81 1.26 0.51 -0.77 2.02 -0.85 -0.38 112.91 115.51 3kk2 h THR 165 Ca 0.13 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 3kk2 h THR 165 Cb 0.64 0.39 0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3kk2 h THR 165 CO 0.04 0.33 -0.25 0.11 0.37 0.00 0.00 175.52 176.13 3kk2 h LYS 166 N 1.08 -0.66 -0.98 6.66 1.57 -1.32 0.28 116.57 123.20 3kk2 h LYS 166 Ca 0.25 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 3kk2 h LYS 166 Cb 0.24 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 3kk2 h LYS 166 CO -0.02 -0.42 0.64 0.82 -0.57 0.00 0.00 179.45 179.90 3kk2 h ILE 167 N -0.73 1.19 0.03 1.86 2.04 -1.07 -2.93 117.51 117.90 3kk2 h ILE 167 Ca -0.07 -0.43 -0.27 0.00 1.00 0.00 0.00 64.86 65.09 3kk2 h ILE 167 Cb 0.55 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3kk2 h ILE 167 CO 0.12 0.23 -1.42 -0.07 0.00 0.00 0.00 178.15 177.01 3kk2 h LEU 168 N 1.25 0.10 -0.75 1.44 3.38 -1.07 -3.41 115.31 116.26 3kk2 h LEU 168 Ca 0.38 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.31 3kk2 h LEU 168 Cb -0.03 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.58 3kk2 h LEU 168 CO -0.11 1.12 -0.34 1.21 0.09 0.00 0.00 178.44 180.41 3kk2 n GLU 169 N -3.26 -0.23 -0.17 1.13 0.00 0.08 0.17 120.64 118.36 3kk2 n GLU 169 Ca -0.11 1.14 -0.03 0.00 0.00 0.00 0.00 57.16 58.16 3kk2 n GLU 169 Cb 1.01 -1.69 0.07 0.00 0.00 0.00 0.00 31.44 30.83 3kk2 n GLU 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3kk2 h PRO 170 N 0.00 0.41 -0.55 5.31 0.11 -1.78 -0.69 132.00 134.81 3kk2 h PRO 170 Ca 0.21 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 3kk2 h PRO 170 Cb 0.40 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3kk2 h PRO 170 CO -0.73 0.27 0.18 0.35 -0.21 0.00 0.00 178.00 177.87 3kk2 h PHE 171 N 0.43 0.88 -0.60 0.65 3.04 -0.54 -2.26 116.94 118.53 3kk2 h PHE 171 Ca 0.25 -0.08 -0.06 0.00 3.98 0.00 0.00 57.97 62.05 3kk2 h PHE 171 Cb 0.23 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 3kk2 h PHE 171 CO -0.14 0.74 0.14 0.00 -2.02 0.00 0.00 178.31 177.03 3kk2 h ARG 172 N 0.77 0.94 -0.60 1.11 3.08 -1.11 -1.65 114.38 116.91 3kk2 h ARG 172 Ca 0.18 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3kk2 h ARG 172 Cb 0.26 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 3kk2 h ARG 172 CO -0.01 0.85 0.33 -0.22 -1.07 0.00 0.00 179.97 179.84 3kk2 h LYS 173 N 0.90 0.60 0.00 0.04 3.64 -0.56 -2.32 116.57 118.87 3kk2 h LYS 173 Ca 0.19 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.37 3kk2 h LYS 173 Cb 0.34 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3kk2 h LYS 173 CO 0.00 0.40 -0.79 1.96 -2.27 0.00 0.00 179.45 178.74 3kk2 h GLN 174 N 0.62 0.00 -2.31 1.90 4.20 -1.33 -3.36 115.11 114.83 3kk2 h GLN 174 Ca 0.27 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.36 3kk2 h GLN 174 Cb 0.15 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.52 3kk2 h GLN 174 CO -0.17 0.79 -0.48 0.09 -0.67 0.00 0.00 178.83 178.39 3kk2 n ASN 175 N -3.30 3.93 0.20 1.46 3.02 -0.63 -4.85 115.26 115.09 3kk2 n ASN 175 Ca 0.01 -3.43 0.15 0.00 -0.03 0.00 0.00 54.58 51.27 3kk2 n ASN 175 Cb 0.85 -0.72 0.59 0.00 -0.61 0.00 0.00 39.78 39.89 3kk2 n ASN 175 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3kk2 h PRO 176 N 4.35 0.00 0.00 3.52 0.13 -1.59 -1.71 132.00 136.70 3kk2 h PRO 176 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3kk2 h PRO 176 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3kk2 h PRO 176 CO 0.87 0.00 -0.41 -0.44 -0.23 0.00 0.00 178.00 177.79 3kk2 h ASP 177 N 0.00 0.00 -3.46 1.44 3.32 -1.88 -3.43 116.42 112.41 3kk2 h ASP 177 Ca 0.00 -0.11 -0.60 0.00 0.02 0.00 0.00 57.03 56.34 3kk2 h ASP 177 Cb 0.44 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.88 3kk2 h ASP 177 CO 0.00 0.05 0.11 -0.63 -1.72 0.00 0.00 179.24 177.06 3kk2 s ILE 178 N -3.17 5.02 -0.22 0.35 1.01 -0.64 -4.66 121.20 118.88 3kk2 s ILE 178 Ca 0.07 1.12 -0.09 0.00 0.00 0.00 0.00 60.65 61.74 3kk2 s ILE 178 Cb 0.12 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3kk2 s ILE 178 CO 0.68 0.08 0.13 0.54 0.00 0.00 0.00 174.94 176.37 3kk2 s VAL 179 N 2.17 5.14 -0.20 2.92 0.11 -0.97 -4.93 120.40 124.63 3kk2 s VAL 179 Ca 0.27 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.38 3kk2 s VAL 179 Cb -0.16 -3.37 -0.01 0.00 -1.53 0.00 0.00 36.38 31.31 3kk2 s VAL 179 CO 0.09 0.38 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.56 3kk2 s ILE 180 N 0.87 3.34 -0.06 7.04 1.01 -1.26 -0.77 121.20 131.36 3kk2 s ILE 180 Ca 0.06 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.25 3kk2 s ILE 180 Cb -0.13 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 3kk2 s ILE 180 CO 0.03 0.44 -0.22 -0.47 0.00 0.00 0.00 174.94 174.72 3kk2 s TYR 181 N 1.25 2.18 -0.03 3.97 5.04 0.21 -4.97 117.35 125.00 3kk2 s TYR 181 Ca 0.03 -0.69 -0.10 0.00 -2.44 0.00 0.00 57.07 53.88 3kk2 s TYR 181 Cb -0.14 -1.45 -0.05 0.00 0.35 0.00 0.00 41.96 40.67 3kk2 s TYR 181 CO -0.02 -0.23 0.28 -1.14 -1.34 0.00 0.00 175.55 173.10 3kk2 s GLN 182 N 0.01 3.66 -0.15 4.97 0.74 -1.26 0.13 119.66 127.75 3kk2 s GLN 182 Ca -0.06 0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.38 3kk2 s GLN 182 Cb -0.14 -3.16 0.08 0.00 1.10 0.00 0.00 33.01 30.89 3kk2 s GLN 182 CO 0.04 0.70 0.30 -0.47 -0.55 0.00 0.00 175.29 175.31 3kk2 s TYR 183 N -1.15 -0.52 0.00 1.67 5.04 0.20 -4.95 117.35 117.65 3kk2 s TYR 183 Ca 0.23 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 3kk2 s TYR 183 Cb -0.14 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.19 3kk2 s TYR 183 CO 0.11 -0.42 0.00 -1.33 -1.34 0.00 0.00 175.55 172.58 3kk2 n MET 184 N 5.36 0.00 0.00 4.97 2.81 -1.26 0.47 117.12 129.47 3kk2 n MET 184 Ca -0.06 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 55.98 3kk2 n MET 184 Cb 0.50 0.00 0.85 0.00 -0.71 0.00 0.00 33.22 33.86 3kk2 n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kk2 n ASP 185 N 3.65 0.00 -4.51 7.83 10.43 -1.26 -4.73 116.55 127.96 3kk2 n ASP 185 Ca 0.00 -0.57 -0.34 0.00 2.57 0.00 0.00 54.79 56.45 3kk2 n ASP 185 Cb 0.00 -0.14 -0.12 0.00 1.84 0.00 0.00 41.12 42.70 3kk2 n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3kk2 s ASP 186 N -2.28 4.63 -0.28 -2.24 -0.00 0.18 -0.72 116.67 115.96 3kk2 s ASP 186 Ca 0.38 -0.12 -0.08 0.00 -0.00 0.00 0.00 52.55 52.73 3kk2 s ASP 186 Cb 0.21 -1.55 -0.02 0.00 -0.00 0.00 0.00 42.92 41.56 3kk2 s ASP 186 CO 0.41 0.23 0.10 -0.22 -0.00 0.00 0.00 175.17 175.70 3kk2 s LEU 187 N -0.04 3.73 -0.17 1.23 2.96 0.11 0.63 118.68 127.13 3kk2 s LEU 187 Ca 0.00 -0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 53.39 3kk2 s LEU 187 Cb -0.13 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 3kk2 s LEU 187 CO 0.03 -0.11 0.28 -0.31 -1.32 0.00 0.00 176.35 174.91 3kk2 s TYR 188 N 1.60 3.44 -0.12 5.38 1.51 0.35 0.32 117.35 129.82 3kk2 s TYR 188 Ca 0.05 0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 56.66 3kk2 s TYR 188 Cb -0.16 -2.33 0.03 0.00 -0.11 0.00 0.00 41.96 39.39 3kk2 s TYR 188 CO 0.04 0.22 -0.06 0.08 -1.11 0.00 0.00 175.55 174.72 3kk2 s VAL 189 N 0.52 0.99 -0.04 0.71 1.01 0.17 0.64 120.40 124.40 3kk2 s VAL 189 Ca 0.15 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.86 3kk2 s VAL 189 Cb -0.13 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3kk2 s VAL 189 CO 0.03 0.30 -0.22 -0.83 0.00 0.00 0.00 175.10 174.38 3kk2 s GLY 190 N 1.71 1.36 0.07 4.51 0.00 0.05 0.14 107.32 115.15 3kk2 s GLY 190 Ca 0.04 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.73 3kk2 s GLY 190 CO -0.08 -0.77 -0.08 -1.35 0.00 0.00 0.00 173.10 170.81 3kk2 s SER 191 N -0.47 1.09 -0.05 1.64 1.04 0.87 -2.30 113.70 115.52 3kk2 s SER 191 Ca 0.05 -0.70 0.19 0.00 0.48 0.00 0.00 55.95 55.97 3kk2 s SER 191 Cb -0.12 0.04 0.61 0.00 0.10 0.00 0.00 66.02 66.66 3kk2 s SER 191 CO 0.01 -0.26 1.51 0.47 0.98 0.00 0.00 173.24 175.95 3kk2 n ASP 192 N 0.95 3.89 -4.71 7.02 10.43 -1.26 -0.73 116.55 132.14 3kk2 n ASP 192 Ca -0.19 -2.18 -0.33 0.00 2.57 0.00 0.00 54.79 54.66 3kk2 n ASP 192 Cb 0.56 -0.49 0.12 0.00 1.84 0.00 0.00 41.12 43.15 3kk2 n ASP 192 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kk2 s LEU 193 N -1.32 3.11 0.25 0.64 1.43 -1.26 -4.88 118.68 116.65 3kk2 s LEU 193 Ca 0.45 2.23 -0.30 0.00 -1.03 0.00 0.00 54.13 55.48 3kk2 s LEU 193 Cb 0.26 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.82 3kk2 s LEU 193 CO 0.26 -2.53 1.04 -1.83 0.23 0.00 0.00 176.35 173.52 3kk2 s GLU 194 N -4.30 4.71 0.54 1.70 -1.05 -1.26 -4.71 118.70 114.33 3kk2 s GLU 194 Ca 0.70 1.67 -0.18 0.00 -0.15 0.00 0.00 54.97 57.01 3kk2 s GLU 194 Cb -0.25 -3.24 -0.14 0.00 -0.44 0.00 0.00 34.13 30.07 3kk2 s GLU 194 CO 0.51 0.30 -0.02 -0.89 0.95 0.00 0.00 175.26 176.12 3kk2 n ILE 195 N 1.48 0.47 0.00 1.83 5.41 -1.26 -2.09 119.36 125.20 3kk2 n ILE 195 Ca -0.01 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.24 3kk2 n ILE 195 Cb 0.46 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 3kk2 n ILE 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kk2 n GLY 196 N 2.39 2.65 0.13 7.39 0.00 -1.26 -4.56 105.19 111.94 3kk2 n GLY 196 Ca 0.08 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 3kk2 n GLY 196 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kk2 h GLN 197 N 0.00 0.40 -0.13 1.61 4.20 -1.81 -2.55 115.11 116.83 3kk2 h GLN 197 Ca 0.00 -0.68 0.04 0.00 0.06 0.00 0.00 58.65 58.07 3kk2 h GLN 197 Cb 0.00 0.25 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 3kk2 h GLN 197 CO 0.00 1.33 -0.45 1.25 -0.67 0.00 0.00 178.83 180.29 3kk2 h HIS 198 N -0.07 -1.30 -0.58 2.96 2.76 -1.74 0.20 115.15 117.37 3kk2 h HIS 198 Ca -0.26 0.05 0.16 0.00 -2.20 0.00 0.00 60.37 58.13 3kk2 h HIS 198 Cb 1.95 0.59 -0.02 0.00 1.55 0.00 0.00 27.41 31.48 3kk2 h HIS 198 CO 0.14 -0.50 0.42 0.00 -1.30 0.00 0.00 177.93 176.69 3kk2 h ARG 199 N -0.52 0.02 0.02 5.26 3.08 -1.84 0.21 114.38 120.62 3kk2 h ARG 199 Ca 0.07 -0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.90 3kk2 h ARG 199 Cb 0.64 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3kk2 h ARG 199 CO -0.41 0.02 -0.95 1.15 -1.07 0.00 0.00 179.97 178.71 3kk2 h THR 200 N 0.03 1.47 -0.17 2.04 2.02 -0.78 -2.63 112.91 114.88 3kk2 h THR 200 Ca 0.28 -2.63 -0.06 0.00 0.77 0.00 0.00 66.41 64.76 3kk2 h THR 200 Cb 1.08 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.99 3kk2 h THR 200 CO -0.01 0.77 -0.19 0.11 0.37 0.00 0.00 175.52 176.58 3kk2 h LYS 201 N 0.15 0.28 -0.06 6.66 1.79 0.24 -1.31 116.57 124.32 3kk2 h LYS 201 Ca -0.07 -0.08 -0.16 0.00 -2.18 0.00 0.00 60.65 58.16 3kk2 h LYS 201 Cb 1.60 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.21 3kk2 h LYS 201 CO 0.15 0.47 -0.69 0.82 -1.08 0.00 0.00 179.45 179.12 3kk2 h ILE 202 N 0.26 1.41 0.00 1.86 1.08 -0.89 -0.75 117.51 120.48 3kk2 h ILE 202 Ca 0.05 -2.16 -0.01 0.00 -0.39 0.00 0.00 64.86 62.35 3kk2 h ILE 202 Cb 0.48 2.13 -0.00 0.00 -3.07 0.00 0.00 36.82 36.36 3kk2 h ILE 202 CO 0.03 0.64 -0.11 -0.08 -0.69 0.00 0.00 178.15 177.93 3kk2 h GLU 203 N 0.18 0.00 -0.07 2.37 4.57 -1.28 -2.16 114.58 118.19 3kk2 h GLU 203 Ca -0.02 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3kk2 h GLU 203 Cb 1.23 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3kk2 h GLU 203 CO 0.11 0.06 -0.38 1.49 -1.18 0.00 0.00 179.01 179.11 3kk2 h GLU 204 N 0.00 0.38 -0.33 1.92 4.81 -1.01 -2.66 114.58 117.69 3kk2 h GLU 204 Ca -0.00 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3kk2 h GLU 204 Cb 1.05 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3kk2 h GLU 204 CO 0.01 0.96 0.14 1.25 -0.73 0.00 0.00 179.01 180.64 3kk2 h LEU 205 N -0.10 0.40 -0.89 1.64 6.46 -1.07 -1.14 115.31 120.61 3kk2 h LEU 205 Ca -0.03 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 3kk2 h LEU 205 Cb 1.03 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 3kk2 h LEU 205 CO 0.08 0.36 0.00 -0.09 -0.62 0.00 0.00 178.44 178.16 3kk2 h ARG 206 N 0.45 0.00 0.02 1.25 9.65 -1.34 -1.73 114.38 122.68 3kk2 h ARG 206 Ca 0.12 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.79 3kk2 h ARG 206 Cb 0.07 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 3kk2 h ARG 206 CO -0.01 0.00 -0.96 1.96 2.80 0.00 0.00 179.97 183.76 3kk2 h GLN 207 N 0.00 0.07 0.02 0.20 4.20 -0.85 -2.83 115.11 115.92 3kk2 h GLN 207 Ca 0.00 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 3kk2 h GLN 207 Cb 0.69 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3kk2 h GLN 207 CO 0.00 0.97 -0.01 0.45 -0.67 0.00 0.00 178.83 179.57 3kk2 h HIS 208 N 0.03 -0.02 0.00 2.96 3.86 -1.22 -2.92 115.15 117.84 3kk2 h HIS 208 Ca -0.03 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3kk2 h HIS 208 Cb 1.66 0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.13 3kk2 h HIS 208 CO 0.01 0.38 0.00 1.28 0.86 0.00 0.00 177.93 180.46 3kk2 n LEU 209 N -4.91 0.00 -0.04 2.43 4.77 -0.68 -0.93 117.00 117.64 3kk2 n LEU 209 Ca -0.08 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.85 3kk2 n LEU 209 Cb 0.22 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 3kk2 n LEU 209 CO 0.33 0.00 -0.79 -0.11 -1.33 0.00 0.00 177.39 175.49 3kk2 n LEU 210 N -0.66 0.34 0.00 2.23 0.00 -1.07 -3.65 117.00 114.19 3kk2 n LEU 210 Ca 0.03 -0.01 0.08 0.00 0.00 0.00 0.00 56.01 56.12 3kk2 n LEU 210 Cb 0.01 0.14 0.45 0.00 0.00 0.00 0.00 43.42 44.02 3kk2 n LEU 210 CO 0.02 0.27 0.75 0.54 0.00 0.00 0.00 177.39 178.96 3kk2 n ARG 211 N -2.37 0.29 -0.00 1.96 1.74 -0.11 -1.90 116.66 116.27 3kk2 n ARG 211 Ca -0.15 0.10 0.01 0.00 -0.77 0.00 0.00 57.85 57.05 3kk2 n ARG 211 Cb 0.77 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.70 3kk2 n ARG 211 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3kk2 n TRP 212 N -1.24 0.00 -0.53 -1.55 8.01 -1.16 -5.11 117.44 115.86 3kk2 n TRP 212 Ca 0.09 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.35 3kk2 n TRP 212 Cb 0.12 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.31 29.36 3kk2 n TRP 212 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kk2 n GLY 213 N 2.11 -2.17 2.83 6.99 0.00 -0.80 -5.07 105.19 109.08 3kk2 n GLY 213 Ca -0.00 -1.36 -0.07 0.00 0.00 0.00 0.00 46.02 44.59 3kk2 n GLY 213 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kk2 s LEU 214 N -5.71 -0.92 0.00 0.99 2.96 -1.26 -4.80 118.68 109.94 3kk2 s LEU 214 Ca 0.00 -1.65 0.00 0.00 -0.22 0.00 0.00 54.13 52.26 3kk2 s LEU 214 Cb 0.00 1.43 0.00 0.00 0.50 0.00 0.00 46.19 48.12 3kk2 s LEU 214 CO 0.00 -0.12 0.00 0.35 -1.32 0.00 0.00 176.35 175.26 3kk2 n THR 215 N 3.47 0.00 0.00 3.68 -2.24 -1.26 -4.82 114.28 113.12 3kk2 n THR 215 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3kk2 n THR 215 Cb 0.54 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3kk2 n THR 215 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3kk2 n THR 216 N -0.59 0.00 0.00 4.28 5.66 -1.26 -4.61 114.28 117.76 3kk2 n THR 216 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3kk2 n THR 216 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3kk2 n THR 216 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 3kk2 n MET 230 N -0.20 0.00 -0.32 1.09 2.81 -1.09 -4.92 117.12 114.49 3kk2 n MET 230 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3kk2 n MET 230 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3kk2 n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kk2 n GLY 231 N -1.92 0.56 3.74 3.03 0.00 -1.26 -4.71 105.19 104.63 3kk2 n GLY 231 Ca 0.00 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.48 3.55 0.00 1.61 2.02 -1.26 -3.94 117.35 117.85 3kk2 s TYR 232 Ca 0.00 0.95 0.00 0.00 -0.37 0.00 0.00 57.07 57.65 3kk2 s TYR 232 Cb 0.00 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 3kk2 s TYR 232 CO 0.00 0.22 0.00 -1.91 -1.57 0.00 0.00 175.55 172.29 3kk2 n GLU 233 N 3.42 0.00 -2.64 -0.62 4.07 -1.25 -5.03 120.64 118.58 3kk2 n GLU 233 Ca -0.07 0.03 -0.32 0.00 -0.06 0.00 0.00 57.16 56.74 3kk2 n GLU 233 Cb 0.52 -0.36 -0.04 0.00 -0.06 0.00 0.00 31.44 31.50 3kk2 n GLU 233 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3kk2 s LEU 234 N -0.65 3.76 -0.34 4.31 1.02 0.50 -4.89 118.68 122.39 3kk2 s LEU 234 Ca 0.00 1.43 -0.01 0.00 0.02 0.00 0.00 54.13 55.57 3kk2 s LEU 234 Cb 0.00 -4.33 0.12 0.00 0.02 0.00 0.00 46.19 42.00 3kk2 s LEU 234 CO 0.00 -0.47 0.17 -1.00 0.02 0.00 0.00 176.35 175.07 3kk2 s HIS 235 N -2.45 1.04 -0.28 0.29 3.76 -1.26 0.27 115.29 116.67 3kk2 s HIS 235 Ca 0.57 -1.60 0.15 0.00 -0.15 0.00 0.00 55.06 54.02 3kk2 s HIS 235 Cb -0.10 -1.25 0.83 0.00 1.11 0.00 0.00 32.58 33.17 3kk2 s HIS 235 CO 0.28 -0.83 1.43 -2.30 -0.85 0.00 0.00 174.74 172.46 3kk2 n PRO 236 N 4.42 0.10 -0.03 8.40 -0.02 -1.22 -1.30 135.00 145.34 3kk2 n PRO 236 Ca 0.04 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 3kk2 n PRO 236 Cb 0.39 -1.92 0.10 0.00 -0.02 0.00 0.00 33.50 32.05 3kk2 n PRO 236 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kk2 n ASP 237 N -2.04 2.74 -1.01 2.55 8.00 -1.26 -3.91 116.55 121.61 3kk2 n ASP 237 Ca -0.01 -1.83 0.12 0.00 0.71 0.00 0.00 54.79 53.78 3kk2 n ASP 237 Cb 0.11 -0.04 0.15 0.00 -0.02 0.00 0.00 41.12 41.32 3kk2 n ASP 237 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kk2 n LYS 238 N 1.12 2.38 -2.30 -1.24 5.02 -0.42 -4.95 118.16 117.76 3kk2 n LYS 238 Ca 0.12 -2.03 -0.30 0.00 -2.02 0.00 0.00 58.31 54.09 3kk2 n LYS 238 Cb 0.50 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 34.02 3kk2 n LYS 238 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3kk2 s TRP 239 N -1.83 3.56 0.08 2.13 0.51 -1.25 -5.09 118.94 117.06 3kk2 s TRP 239 Ca 0.32 1.14 -0.26 0.00 -2.12 0.00 0.00 56.10 55.18 3kk2 s TRP 239 Cb 0.21 -2.57 0.08 0.00 -0.81 0.00 0.00 33.47 30.39 3kk2 s TRP 239 CO 0.31 -0.44 0.76 -0.08 -0.51 0.00 0.00 176.95 176.98 3kk2 s THR 240 N -2.86 0.00 0.26 2.01 -1.32 -1.26 -5.10 115.64 107.36 3kk2 s THR 240 Ca 0.53 -0.04 -0.09 0.00 -1.21 0.00 0.00 61.69 60.88 3kk2 s THR 240 Cb -0.11 -1.06 -0.07 0.00 -1.51 0.00 0.00 72.50 69.76 3kk2 s THR 240 CO 0.45 0.00 0.57 0.68 -2.21 0.00 0.00 174.62 174.11 3kk2 s VAL 241 N -3.43 4.94 -0.33 5.08 -7.23 -1.26 -4.73 120.40 113.44 3kk2 s VAL 241 Ca 0.04 0.39 -0.07 0.00 -1.81 0.00 0.00 61.98 60.53 3kk2 s VAL 241 Cb -0.01 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.31 3kk2 s VAL 241 CO -0.10 -0.16 0.11 -1.58 -0.31 0.00 0.00 175.10 173.06 3kk2 s GLN 242 N -3.06 2.76 0.72 4.82 2.00 0.41 -4.97 119.66 122.34 3kk2 s GLN 242 Ca 0.47 -1.09 -0.12 0.00 -2.00 0.00 0.00 55.36 52.62 3kk2 s GLN 242 Cb -0.11 -3.48 0.03 0.00 0.80 0.00 0.00 33.01 30.25 3kk2 s GLN 242 CO 0.24 -0.62 1.08 -1.25 -0.50 0.00 0.00 175.29 174.24 3kk2 s PRO 243 N 1.45 2.62 0.39 1.67 0.04 -1.26 -4.67 135.00 135.24 3kk2 s PRO 243 Ca -0.00 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 61.93 3kk2 s PRO 243 Cb -0.19 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3kk2 s PRO 243 CO 0.03 -1.36 1.14 0.42 0.04 0.00 0.00 177.00 177.27 3kk2 s ILE 244 N -2.82 3.31 0.02 0.56 1.01 -1.26 -5.03 121.20 116.99 3kk2 s ILE 244 Ca 0.61 1.09 0.01 0.00 0.00 0.00 0.00 60.65 62.36 3kk2 s ILE 244 Cb -0.17 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3kk2 s ILE 244 CO 0.52 0.09 -0.05 0.54 0.00 0.00 0.00 174.94 176.04 3kk2 s VAL 245 N -1.45 0.30 -0.07 2.92 0.11 -1.26 -4.94 120.40 116.01 3kk2 s VAL 245 Ca 0.56 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 3kk2 s VAL 245 Cb -0.29 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3kk2 s VAL 245 CO 0.36 -0.30 -0.12 -0.76 -3.33 0.00 0.00 175.10 170.96 3kk2 s LEU 246 N -1.11 2.85 0.57 2.54 1.43 -1.26 -4.98 118.68 118.72 3kk2 s LEU 246 Ca -0.09 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 52.65 3kk2 s LEU 246 Cb -0.07 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 3kk2 s LEU 246 CO -0.00 0.31 1.17 -2.16 0.23 0.00 0.00 176.35 175.90 3kk2 s PRO 247 N -0.52 3.14 -0.13 1.29 0.04 -1.26 -5.04 135.00 132.52 3kk2 s PRO 247 Ca 0.07 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 3kk2 s PRO 247 Cb -0.12 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3kk2 s PRO 247 CO 0.02 -1.05 0.05 -1.83 0.04 0.00 0.00 177.00 174.23 3kk2 s GLU 248 N -3.32 3.47 -0.09 4.56 1.03 -1.26 -5.11 118.70 117.98 3kk2 s GLU 248 Ca 0.75 -0.34 -0.16 0.00 0.03 0.00 0.00 54.97 55.25 3kk2 s GLU 248 Cb -0.27 -3.02 0.04 0.00 -0.80 0.00 0.00 34.13 30.07 3kk2 s GLU 248 CO 0.30 0.54 0.40 0.15 -1.33 0.00 0.00 175.26 175.32 3kk2 s LYS 249 N -0.39 0.62 -0.11 -4.83 1.02 -1.26 -5.06 119.74 109.73 3kk2 s LYS 249 Ca 0.09 0.25 -0.14 0.00 0.02 0.00 0.00 55.97 56.18 3kk2 s LYS 249 Cb -0.12 0.29 -0.26 0.00 -0.52 0.00 0.00 37.83 37.21 3kk2 s LYS 249 CO 0.02 -0.13 0.50 -0.44 -0.92 0.00 0.00 175.35 174.37 3kk2 h ASP 250 N 4.60 0.37 -4.33 2.83 5.19 -2.03 -3.45 116.42 119.60 3kk2 h ASP 250 Ca -0.28 -0.85 -0.66 0.00 -0.62 0.00 0.00 57.03 54.62 3kk2 h ASP 250 Cb 1.18 -0.12 -0.30 0.00 0.18 0.00 0.00 39.33 40.26 3kk2 h ASP 250 CO 0.32 1.66 -0.88 -0.94 -3.12 0.00 0.00 179.24 176.29 3kk2 s SER 251 N -7.04 2.83 -0.07 6.45 1.04 -1.26 -5.02 113.70 110.63 3kk2 s SER 251 Ca -0.21 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 55.80 3kk2 s SER 251 Cb 0.05 -0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.65 3kk2 s SER 251 CO 0.76 0.27 -0.13 0.26 0.98 0.00 0.00 173.24 175.37 3kk2 s TRP 252 N -0.39 2.75 0.29 5.02 0.52 -1.26 -5.03 118.94 120.85 3kk2 s TRP 252 Ca 0.04 -0.22 0.07 0.00 0.02 0.00 0.00 56.10 56.01 3kk2 s TRP 252 Cb -0.11 -1.68 -0.02 0.00 -1.15 0.00 0.00 33.47 30.51 3kk2 s TRP 252 CO 0.01 0.13 0.34 0.95 0.02 0.00 0.00 176.95 178.40 3kk2 s THR 253 N -0.55 4.30 0.28 2.01 -4.23 -1.26 0.42 115.64 116.61 3kk2 s THR 253 Ca 0.08 -1.18 -0.04 0.00 -1.18 0.00 0.00 61.69 59.36 3kk2 s THR 253 Cb -0.12 -3.46 0.38 0.00 1.34 0.00 0.00 72.50 70.65 3kk2 s THR 253 CO 0.01 -0.25 1.59 0.58 -0.54 0.00 0.00 174.62 176.02 3kk2 h VAL 254 N 1.19 0.11 -0.62 2.29 2.07 -1.14 0.17 116.25 120.31 3kk2 h VAL 254 Ca -0.48 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3kk2 h VAL 254 Cb 1.25 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3kk2 h VAL 254 CO 0.58 0.01 0.29 -1.13 0.02 0.00 0.00 177.57 177.33 3kk2 h ASN 255 N 0.03 0.83 0.27 0.57 -0.73 -1.52 0.42 115.58 115.44 3kk2 h ASN 255 Ca 0.51 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.54 3kk2 h ASN 255 Cb 0.93 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 39.28 3kk2 h ASN 255 CO -0.88 0.74 -0.32 0.44 -0.37 0.00 0.00 177.43 177.05 3kk2 h ASP 256 N 0.86 -0.88 -0.66 1.15 3.45 -1.04 0.47 116.42 119.77 3kk2 h ASP 256 Ca 0.21 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.74 3kk2 h ASP 256 Cb 0.14 0.31 -0.03 0.00 -0.56 0.00 0.00 39.33 39.19 3kk2 h ASP 256 CO -0.02 -0.44 0.35 0.40 -1.57 0.00 0.00 179.24 177.95 3kk2 h ILE 257 N -0.64 1.21 -0.75 0.35 2.04 -0.80 0.33 117.51 119.26 3kk2 h ILE 257 Ca -0.00 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 3kk2 h ILE 257 Cb 0.60 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3kk2 h ILE 257 CO -0.09 0.24 0.30 1.56 0.00 0.00 0.00 178.15 180.16 3kk2 h GLN 258 N 0.95 1.12 -0.23 2.37 4.20 0.17 0.33 115.11 124.02 3kk2 h GLN 258 Ca 0.24 -0.20 -0.18 0.00 0.06 0.00 0.00 58.65 58.56 3kk2 h GLN 258 Cb 0.06 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 3kk2 h GLN 258 CO -0.04 0.91 -0.58 0.87 -0.67 0.00 0.00 178.83 179.33 3kk2 h LYS 259 N 1.08 0.75 -0.30 1.46 1.57 -0.35 -2.43 116.57 118.35 3kk2 h LYS 259 Ca 0.25 -0.49 0.02 0.00 -1.87 0.00 0.00 60.65 58.56 3kk2 h LYS 259 Cb 0.21 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3kk2 h LYS 259 CO -0.02 1.12 0.15 1.25 -0.57 0.00 0.00 179.45 181.37 3kk2 h LEU 260 N 0.56 0.22 -1.22 2.94 5.85 -0.02 -1.34 115.31 122.31 3kk2 h LEU 260 Ca 0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3kk2 h LEU 260 Cb 1.17 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3kk2 h LEU 260 CO 0.12 0.17 -0.37 0.58 -0.34 0.00 0.00 178.44 178.60 3kk2 h VAL 261 N 0.31 1.12 -0.04 1.05 2.07 -0.35 -2.49 116.25 117.92 3kk2 h VAL 261 Ca 0.12 -1.33 -0.13 0.00 0.82 0.00 0.00 66.70 66.18 3kk2 h VAL 261 Cb 0.04 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3kk2 h VAL 261 CO -0.09 0.36 -0.50 1.23 0.02 0.00 0.00 177.57 178.60 3kk2 h GLY 262 N 1.36 0.45 0.72 2.17 0.00 -1.12 -2.15 103.07 104.50 3kk2 h GLY 262 Ca -0.00 -0.71 0.06 0.00 0.00 0.00 0.00 47.33 46.67 3kk2 h GLY 262 CO 0.05 0.63 0.44 1.70 0.00 0.00 0.00 176.54 179.36 3kk2 h LYS 263 N -0.09 0.79 -0.04 4.80 3.64 -1.16 -2.98 116.57 121.53 3kk2 h LYS 263 Ca -0.05 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.05 3kk2 h LYS 263 Cb 1.18 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3kk2 h LYS 263 CO 0.10 0.52 -0.89 -0.07 -2.27 0.00 0.00 179.45 176.84 3kk2 h LEU 264 N 0.81 0.69 -1.60 5.20 3.38 -1.46 -0.97 115.31 121.37 3kk2 h LEU 264 Ca 0.33 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.86 3kk2 h LEU 264 Cb 0.16 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3kk2 h LEU 264 CO -0.17 1.30 0.39 -1.13 0.09 0.00 0.00 178.44 178.92 3kk2 h ASN 265 N 0.34 0.42 0.07 -0.43 -1.24 -1.24 0.17 115.58 113.67 3kk2 h ASN 265 Ca -0.08 0.01 -0.15 0.00 0.71 0.00 0.00 56.30 56.79 3kk2 h ASN 265 Cb 1.52 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.49 3kk2 h ASN 265 CO 0.17 0.26 -0.73 -0.25 -1.29 0.00 0.00 177.43 175.59 3kk2 h TRP 266 N 0.47 0.27 0.00 0.67 7.01 -1.45 -3.24 115.95 119.69 3kk2 h TRP 266 Ca 0.26 -0.20 0.00 0.00 2.11 0.00 0.00 58.89 61.06 3kk2 h TRP 266 Cb 0.42 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.47 3kk2 h TRP 266 CO -0.00 1.28 0.20 0.00 -2.79 0.00 0.00 178.44 177.13 3kk2 h ALA 267 N -0.05 1.17 0.00 2.65 0.00 -0.15 0.18 119.26 123.07 3kk2 h ALA 267 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kk2 h ALA 267 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3kk2 h ALA 267 CO 0.04 -0.17 0.00 0.66 0.00 0.00 0.00 179.25 179.78 3kk2 h SER 268 N 0.00 0.00 1.20 0.00 4.64 -1.03 -0.63 113.55 117.74 3kk2 h SER 268 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3kk2 h SER 268 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3kk2 h SER 268 CO 0.00 0.00 -0.31 1.56 -0.87 0.00 0.00 176.83 177.21 3kk2 h GLN 269 N 0.00 0.00 0.00 4.77 4.20 -0.79 -3.01 115.11 120.27 3kk2 h GLN 269 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kk2 h GLN 269 Cb 0.74 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 3kk2 h GLN 269 CO 0.00 0.31 -0.41 0.82 -0.67 0.00 0.00 178.83 178.87 3kk2 h ILE 270 N 0.00 0.07 -3.14 2.54 2.04 -1.51 -3.44 117.51 114.08 3kk2 h ILE 270 Ca -0.00 -1.08 -0.75 0.00 1.00 0.00 0.00 64.86 64.02 3kk2 h ILE 270 Cb 0.99 0.16 -0.24 0.00 -0.74 0.00 0.00 36.82 36.99 3kk2 h ILE 270 CO 0.04 0.02 -0.25 -0.31 0.00 0.00 0.00 178.15 177.66 3kk2 s TYR 271 N -2.08 3.26 -1.31 1.37 1.51 -0.30 -4.84 117.35 114.97 3kk2 s TYR 271 Ca -0.12 -1.26 0.08 0.00 -1.01 0.00 0.00 57.07 54.75 3kk2 s TYR 271 Cb 0.02 -3.68 0.37 0.00 -0.11 0.00 0.00 41.96 38.55 3kk2 s TYR 271 CO 0.19 -0.98 1.15 -2.30 -1.11 0.00 0.00 175.55 172.49 3kk2 n PRO 272 N 5.22 0.08 0.20 -1.71 -0.02 -1.14 -1.98 135.00 135.66 3kk2 n PRO 272 Ca -0.13 0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.74 3kk2 n PRO 272 Cb 0.41 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 32.84 3kk2 n PRO 272 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3kk2 h GLY 273 N 1.27 0.00 -4.16 -1.23 0.00 -1.92 -3.46 103.07 93.57 3kk2 h GLY 273 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3kk2 h GLY 273 CO 0.00 0.00 0.75 -0.42 0.00 0.00 0.00 176.54 176.87 3kk2 s ILE 274 N -3.36 2.56 0.06 2.60 -1.09 -0.84 -4.94 121.20 116.19 3kk2 s ILE 274 Ca 0.05 0.49 0.07 0.00 -2.23 0.00 0.00 60.65 59.04 3kk2 s ILE 274 Cb 0.09 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 3kk2 s ILE 274 CO 0.56 0.09 -0.20 -1.59 -1.23 0.00 0.00 174.94 172.57 3kk2 s LYS 275 N -0.76 1.26 0.00 2.79 -2.85 -1.26 -4.92 119.74 114.01 3kk2 s LYS 275 Ca 0.57 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 3kk2 s LYS 275 Cb -0.42 -1.40 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 3kk2 s LYS 275 CO 0.47 0.35 0.00 1.55 0.10 0.00 0.00 175.35 177.82 3kk2 n VAL 276 N 1.67 0.00 -0.13 1.79 3.14 -1.26 -4.90 118.33 118.65 3kk2 n VAL 276 Ca -0.18 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.17 3kk2 n VAL 276 Cb 0.54 -0.65 -0.03 0.00 -1.06 0.00 0.00 33.84 32.63 3kk2 n VAL 276 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3kk2 n ARG 277 N -1.51 -0.13 -0.13 1.45 5.12 -1.26 -0.92 116.66 119.28 3kk2 n ARG 277 Ca 0.00 0.54 -0.01 0.00 -1.93 0.00 0.00 57.85 56.46 3kk2 n ARG 277 Cb 0.33 -0.80 0.25 0.00 -1.16 0.00 0.00 32.46 31.08 3kk2 n ARG 277 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3kk2 h GLN 278 N 0.00 0.81 -0.18 5.56 1.08 -1.97 -1.69 115.11 118.72 3kk2 h GLN 278 Ca 0.05 -0.11 -0.14 0.00 -1.45 0.00 0.00 58.65 56.99 3kk2 h GLN 278 Cb 0.12 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3kk2 h GLN 278 CO -0.29 0.65 -0.48 -0.07 -0.95 0.00 0.00 178.83 177.70 3kk2 h LEU 279 N 0.80 0.50 -1.40 1.46 3.38 -1.35 -2.75 115.31 115.96 3kk2 h LEU 279 Ca 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kk2 h LEU 279 Cb 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3kk2 h LEU 279 CO -0.02 0.90 0.33 0.28 0.09 0.00 0.00 178.44 180.02 3kk2 h SER 280 N 0.37 0.64 -0.59 -0.43 0.02 -0.71 -2.58 113.55 110.27 3kk2 h SER 280 Ca 0.02 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.04 3kk2 h SER 280 Cb 0.98 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 3kk2 h SER 280 CO 0.09 0.50 0.40 0.50 -1.14 0.00 0.00 176.83 177.17 3kk2 h LYS 281 N 0.75 0.37 0.00 3.45 1.63 -1.07 0.28 116.57 121.98 3kk2 h LYS 281 Ca 0.20 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 3kk2 h LYS 281 Cb -0.03 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 3kk2 h LYS 281 CO -0.04 0.25 -0.20 -0.07 -3.45 0.00 0.00 179.45 175.94 3kk2 h LEU 282 N 0.38 0.00 -3.42 5.20 3.38 -1.54 -2.66 115.31 116.65 3kk2 h LEU 282 Ca 0.28 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.89 3kk2 h LEU 282 Cb 0.57 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.11 3kk2 h LEU 282 CO -0.07 0.20 0.45 0.18 0.09 0.00 0.00 178.44 179.29 3kk2 n LEU 283 N -3.79 5.66 -4.79 1.67 4.77 0.99 -4.90 117.00 116.61 3kk2 n LEU 283 Ca -0.02 -2.99 -0.30 0.00 -0.03 0.00 0.00 56.01 52.67 3kk2 n LEU 283 Cb 0.30 -0.74 0.08 0.00 -2.33 0.00 0.00 43.42 40.74 3kk2 n LEU 283 CO 0.33 0.88 0.70 -0.13 -1.33 0.00 0.00 177.39 177.84 3kk2 s ARG 284 N -2.40 2.28 1.08 3.23 1.81 -1.01 -4.87 118.95 119.07 3kk2 s ARG 284 Ca 0.42 0.86 0.00 0.00 -1.72 0.00 0.00 55.73 55.29 3kk2 s ARG 284 Cb 0.35 -1.92 0.00 0.00 -0.45 0.00 0.00 34.95 32.93 3kk2 s ARG 284 CO 0.08 -1.54 0.00 0.41 -0.68 0.00 0.00 175.30 173.57 3kk2 n GLY 285 N -1.77 -2.01 2.66 -3.53 0.00 -1.26 -4.64 105.19 94.64 3kk2 n GLY 285 Ca 0.08 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 3kk2 n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kk2 s THR 286 N 0.00 1.65 0.40 2.61 -4.23 -1.26 -5.13 115.64 109.67 3kk2 s THR 286 Ca 0.00 -3.43 -0.05 0.00 -1.18 0.00 0.00 61.69 57.03 3kk2 s THR 286 Cb 0.00 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 3kk2 s THR 286 CO 0.00 -1.10 0.68 -0.54 -0.54 0.00 0.00 174.62 173.11 3kk2 s LYS 287 N -0.65 3.59 0.52 3.99 -0.14 -1.26 -5.05 119.74 120.73 3kk2 s LYS 287 Ca 0.28 0.07 -0.23 0.00 -1.36 0.00 0.00 55.97 54.74 3kk2 s LYS 287 Cb -0.02 -2.50 -0.06 0.00 -1.68 0.00 0.00 37.83 33.57 3kk2 s LYS 287 CO -0.17 -0.00 1.38 0.00 -0.76 0.00 0.00 175.35 175.80 3kk2 s ALA 288 N -2.44 2.93 0.27 5.17 0.00 -1.26 -4.91 121.76 121.52 3kk2 s ALA 288 Ca 0.45 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.76 3kk2 s ALA 288 Cb -0.10 -3.58 0.37 0.00 0.00 0.00 0.00 23.12 19.81 3kk2 s ALA 288 CO 0.37 -1.34 1.93 -0.07 0.00 0.00 0.00 175.76 176.65 3kk2 h LEU 289 N 1.68 1.05 -0.94 0.00 4.07 -1.96 -2.96 115.31 116.24 3kk2 h LEU 289 Ca -0.51 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.43 3kk2 h LEU 289 Cb 1.29 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.78 3kk2 h LEU 289 CO 0.58 0.73 -0.01 0.35 -1.08 0.00 0.00 178.44 179.02 3kk2 n THR 290 N -4.42 0.00 -2.02 0.22 -2.24 -1.26 -1.40 114.28 103.16 3kk2 n THR 290 Ca 0.12 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 3kk2 n THR 290 Cb 0.06 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 3kk2 n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kk2 s GLU 291 N -2.02 4.27 -0.06 -0.78 2.12 -1.12 -4.81 118.70 116.30 3kk2 s GLU 291 Ca 0.38 2.30 -0.26 0.00 0.36 0.00 0.00 54.97 57.74 3kk2 s GLU 291 Cb 0.21 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 3kk2 s GLU 291 CO 0.34 -0.41 0.82 0.14 -0.54 0.00 0.00 175.26 175.60 3kk2 s VAL 292 N -0.03 4.96 -0.21 3.70 -7.23 -1.26 -1.32 120.40 119.01 3kk2 s VAL 292 Ca 0.59 1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 62.41 3kk2 s VAL 292 Cb -0.42 -4.15 -0.00 0.00 0.56 0.00 0.00 36.38 32.37 3kk2 s VAL 292 CO 0.43 0.18 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.70 3kk2 s ILE 293 N 1.12 3.10 0.20 -0.62 -1.09 0.17 -4.94 121.20 119.14 3kk2 s ILE 293 Ca 0.42 -0.59 -0.30 0.00 -2.23 0.00 0.00 60.65 57.96 3kk2 s ILE 293 Cb -0.19 -2.39 -0.09 0.00 -1.58 0.00 0.00 42.46 38.22 3kk2 s ILE 293 CO 0.20 0.45 1.26 -2.16 -1.23 0.00 0.00 174.94 173.46 3kk2 s PRO 294 N 1.44 4.43 -0.68 2.79 0.04 -1.26 -4.09 135.00 137.67 3kk2 s PRO 294 Ca 0.06 1.99 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 3kk2 s PRO 294 Cb -0.14 -3.20 0.05 0.00 0.04 0.00 0.00 34.50 31.25 3kk2 s PRO 294 CO -0.05 -0.17 1.11 -0.51 0.04 0.00 0.00 177.00 177.41 3kk2 s LEU 295 N -0.31 3.81 0.20 -3.56 1.43 -1.26 -5.00 118.68 114.00 3kk2 s LEU 295 Ca 0.54 -0.69 -0.32 0.00 -1.03 0.00 0.00 54.13 52.64 3kk2 s LEU 295 Cb -0.35 -2.53 -0.15 0.00 0.03 0.00 0.00 46.19 43.19 3kk2 s LEU 295 CO 0.39 -1.60 1.26 0.35 0.23 0.00 0.00 176.35 176.98 3kk2 n THR 296 N 6.16 0.94 -0.43 5.49 -2.24 -1.26 -4.37 114.28 118.57 3kk2 n THR 296 Ca -0.00 -0.24 0.36 0.00 -2.27 0.00 0.00 64.05 61.90 3kk2 n THR 296 Cb 0.47 -1.12 0.67 0.00 -2.10 0.00 0.00 70.33 68.25 3kk2 n THR 296 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3kk2 h GLU 297 N 3.70 0.12 0.31 -0.78 4.11 -1.96 0.84 114.58 120.92 3kk2 h GLU 297 Ca -0.44 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 3kk2 h GLU 297 Cb 1.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3kk2 h GLU 297 CO 0.72 0.08 -0.15 1.05 0.07 0.00 0.00 179.01 180.78 3kk2 h GLU 298 N 0.12 -0.41 -0.12 1.06 9.09 -1.99 -1.46 114.58 120.88 3kk2 h GLU 298 Ca 0.73 0.03 0.03 0.00 0.05 0.00 0.00 59.36 60.20 3kk2 h GLU 298 Cb 2.45 0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 29.64 3kk2 h GLU 298 CO -0.23 -0.07 0.09 0.00 0.05 0.00 0.00 179.01 178.84 3kk2 h ALA 299 N -0.37 2.11 0.00 1.06 0.00 -1.24 0.87 119.26 121.68 3kk2 h ALA 299 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kk2 h ALA 299 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kk2 h ALA 299 CO 0.07 -0.15 0.00 1.49 0.00 0.00 0.00 179.25 180.66 3kk2 h GLU 300 N 0.00 0.00 0.01 0.00 4.57 -0.74 -2.30 114.58 116.11 3kk2 h GLU 300 Ca 0.06 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.86 3kk2 h GLU 300 Cb 0.23 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.75 3kk2 h GLU 300 CO -0.00 0.00 -2.40 -0.11 -1.18 0.00 0.00 179.01 175.32 3kk2 n LEU 301 N -2.98 1.74 -0.15 1.64 -0.00 0.24 -4.06 117.00 113.43 3kk2 n LEU 301 Ca -0.00 -0.05 0.10 0.00 -0.00 0.00 0.00 56.01 56.06 3kk2 n LEU 301 Cb 0.24 -0.34 0.43 0.00 -0.00 0.00 0.00 43.42 43.75 3kk2 n LEU 301 CO 0.24 0.75 1.20 -0.08 -0.00 0.00 0.00 177.39 179.51 3kk2 h GLU 302 N 0.00 0.55 0.00 1.96 4.81 0.47 0.76 114.58 123.13 3kk2 h GLU 302 Ca -0.55 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 3kk2 h GLU 302 Cb 2.05 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.30 3kk2 h GLU 302 CO -0.03 0.36 0.00 -0.11 -0.73 0.00 0.00 179.01 178.50 3kk2 n LEU 303 N -4.49 0.00 -0.01 1.64 0.00 -0.88 -2.12 117.00 111.15 3kk2 n LEU 303 Ca 0.12 0.49 -0.22 0.00 0.00 0.00 0.00 56.01 56.40 3kk2 n LEU 303 Cb 0.35 -0.49 -0.14 0.00 0.00 0.00 0.00 43.42 43.15 3kk2 n LEU 303 CO 0.33 -0.20 -0.76 0.00 0.00 0.00 0.00 177.39 176.76 3kk2 n ALA 304 N -1.49 0.86 0.46 1.96 0.00 0.25 -3.08 120.51 119.47 3kk2 n ALA 304 Ca 0.04 -0.56 -0.18 0.00 0.00 0.00 0.00 53.44 52.74 3kk2 n ALA 304 Cb 0.20 -0.68 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 3kk2 n ALA 304 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kk2 h GLU 305 N -0.08 -1.13 -0.74 0.00 5.08 -1.07 -2.51 114.58 114.13 3kk2 h GLU 305 Ca -0.41 0.08 0.14 0.00 -1.00 0.00 0.00 59.36 58.17 3kk2 h GLU 305 Cb 1.93 0.26 -0.10 0.00 0.50 0.00 0.00 28.75 31.34 3kk2 h GLU 305 CO 0.05 -0.75 0.27 -0.91 -1.00 0.00 0.00 179.01 176.67 3kk2 h ASN 306 N -1.17 0.22 -0.21 1.42 2.35 -1.63 0.81 115.58 117.37 3kk2 h ASN 306 Ca -0.12 0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3kk2 h ASN 306 Cb 0.90 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 3kk2 h ASN 306 CO 0.19 0.07 0.22 -0.09 -1.65 0.00 0.00 177.43 176.17 3kk2 h ARG 307 N 0.40 0.00 0.04 0.81 2.43 -1.46 -1.15 114.38 115.46 3kk2 h ARG 307 Ca 0.41 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.20 3kk2 h ARG 307 Cb 0.64 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 3kk2 h ARG 307 CO -0.42 0.00 -2.23 0.39 -1.51 0.00 0.00 179.97 176.20 3kk2 n GLU 308 N -3.90 0.67 0.04 0.20 -0.58 0.14 -4.13 120.64 113.07 3kk2 n GLU 308 Ca 0.02 0.24 0.22 0.00 -0.42 0.00 0.00 57.16 57.22 3kk2 n GLU 308 Cb 0.35 -1.60 0.68 0.00 -0.57 0.00 0.00 31.44 30.31 3kk2 n GLU 308 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3kk2 h ILE 309 N -0.22 0.27 0.00 -3.67 2.04 0.10 1.03 117.51 117.06 3kk2 h ILE 309 Ca -0.53 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3kk2 h ILE 309 Cb 1.85 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3kk2 h ILE 309 CO -0.10 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 177.98 3kk2 h LEU 310 N 0.00 0.00 0.00 1.44 3.38 -1.39 -3.32 115.31 115.42 3kk2 h LEU 310 Ca 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 3kk2 h LEU 310 Cb 1.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 3kk2 h LEU 310 CO -0.00 0.00 -0.32 0.11 0.09 0.00 0.00 178.44 178.32 3kk2 h LYS 311 N 0.00 0.00 -6.18 1.13 1.57 0.92 -3.45 116.57 110.57 3kk2 h LYS 311 Ca 0.00 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.06 3kk2 h LYS 311 Cb 0.74 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.07 3kk2 h LYS 311 CO 0.00 0.80 0.87 0.39 -0.57 0.00 0.00 179.45 180.94 3kk2 n GLU 312 N -4.59 1.26 -2.00 3.15 1.02 -1.15 -4.87 120.64 113.46 3kk2 n GLU 312 Ca -0.14 0.46 -0.38 0.00 -0.02 0.00 0.00 57.16 57.08 3kk2 n GLU 312 Cb 0.45 -2.15 0.02 0.00 -0.02 0.00 0.00 31.44 29.73 3kk2 n GLU 312 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3kk2 s PRO 313 N 3.20 3.50 0.07 3.49 0.04 -1.26 -4.89 135.00 139.16 3kk2 s PRO 313 Ca 0.96 2.05 -0.37 0.00 0.04 0.00 0.00 61.00 63.68 3kk2 s PRO 313 Cb -1.02 -2.39 -0.17 0.00 0.04 0.00 0.00 34.50 30.96 3kk2 s PRO 313 CO 0.62 -0.84 1.34 0.28 0.04 0.00 0.00 177.00 178.44 3kk2 n VAL 314 N -0.65 0.01 -3.42 -0.36 0.31 -1.26 -4.91 118.33 108.05 3kk2 n VAL 314 Ca 0.08 -0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.05 3kk2 n VAL 314 Cb 0.46 -0.81 -0.06 0.00 -0.91 0.00 0.00 33.84 32.53 3kk2 n VAL 314 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3kk2 s HIS 315 N 0.56 3.62 -0.13 3.52 2.46 -1.26 -4.60 115.29 119.46 3kk2 s HIS 315 Ca 0.85 0.99 -0.01 0.00 0.47 0.00 0.00 55.06 57.37 3kk2 s HIS 315 Cb -0.97 -2.31 0.00 0.00 -0.13 0.00 0.00 32.58 29.17 3kk2 s HIS 315 CO 0.48 0.48 0.11 0.41 -2.47 0.00 0.00 174.74 173.75 3kk2 n GLY 316 N 0.96 0.80 3.08 1.59 0.00 -1.26 -5.03 105.19 105.33 3kk2 n GLY 316 Ca -0.07 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 3kk2 n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kk2 s VAL 317 N -3.03 2.55 -0.11 1.61 1.01 -1.26 -5.09 120.40 116.07 3kk2 s VAL 317 Ca 0.05 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.13 3kk2 s VAL 317 Cb -0.02 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3kk2 s VAL 317 CO 0.07 -0.35 -0.12 -0.31 0.00 0.00 0.00 175.10 174.40 3kk2 s TYR 318 N 1.07 2.83 0.02 5.22 2.02 -1.26 -5.03 117.35 122.21 3kk2 s TYR 318 Ca 0.01 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 55.97 3kk2 s TYR 318 Cb -0.20 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 3kk2 s TYR 318 CO -0.05 -0.06 1.30 -0.47 -1.57 0.00 0.00 175.55 174.70 3kk2 s TYR 319 N 0.03 3.13 -0.34 2.71 5.04 -1.26 -5.01 117.35 121.65 3kk2 s TYR 319 Ca -0.04 1.04 -0.04 0.00 -2.44 0.00 0.00 57.07 55.60 3kk2 s TYR 319 Cb -0.14 -3.55 0.06 0.00 0.35 0.00 0.00 41.96 38.68 3kk2 s TYR 319 CO 0.04 -1.89 0.08 0.34 -1.34 0.00 0.00 175.55 172.77 3kk2 s ASP 320 N 1.48 5.12 0.52 4.32 -1.08 -1.26 -5.00 116.67 120.77 3kk2 s ASP 320 Ca 0.61 -1.38 0.17 0.00 -0.52 0.00 0.00 52.55 51.43 3kk2 s ASP 320 Cb -0.30 -1.79 1.27 0.00 -1.46 0.00 0.00 42.92 40.64 3kk2 s ASP 320 CO 0.27 -0.34 2.12 -0.65 0.52 0.00 0.00 175.17 177.09 3kk2 h PRO 321 N 8.09 0.02 -0.54 4.34 0.11 -2.00 -1.70 132.00 140.32 3kk2 h PRO 321 Ca -0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3kk2 h PRO 321 Cb 1.07 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kk2 h PRO 321 CO 0.59 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 3kk2 n SER 322 N -4.52 0.54 -4.20 -2.05 3.41 -1.26 -4.66 113.62 100.89 3kk2 n SER 322 Ca -0.01 -2.00 -0.20 0.00 -0.26 0.00 0.00 58.87 56.40 3kk2 n SER 322 Cb 0.16 -0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 63.72 3kk2 n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kk2 s LYS 323 N -1.46 0.92 0.42 4.33 1.02 -0.64 -5.14 119.74 119.19 3kk2 s LYS 323 Ca 0.00 -1.00 -0.23 0.00 0.02 0.00 0.00 55.97 54.76 3kk2 s LYS 323 Cb 0.00 -1.00 -0.08 0.00 -0.52 0.00 0.00 37.83 36.22 3kk2 s LYS 323 CO 0.00 0.23 1.09 -0.51 -0.92 0.00 0.00 175.35 175.24 3kk2 s ASP 324 N -1.73 6.53 0.29 2.83 -0.00 -1.26 -4.90 116.67 118.44 3kk2 s ASP 324 Ca 0.01 2.12 -0.29 0.00 -0.00 0.00 0.00 52.55 54.39 3kk2 s ASP 324 Cb -0.10 -2.59 -0.10 0.00 -0.00 0.00 0.00 42.92 40.14 3kk2 s ASP 324 CO 0.03 -0.66 1.14 -0.76 -0.00 0.00 0.00 175.17 174.92 3kk2 s LEU 325 N -2.82 4.53 -0.08 1.23 2.01 -1.26 -4.66 118.68 117.62 3kk2 s LEU 325 Ca 0.60 2.35 -0.01 0.00 0.01 0.00 0.00 54.13 57.08 3kk2 s LEU 325 Cb -0.24 -3.63 -0.03 0.00 0.01 0.00 0.00 46.19 42.30 3kk2 s LEU 325 CO 0.30 -0.22 -0.01 -0.63 1.01 0.00 0.00 176.35 176.80 3kk2 s ILE 326 N -1.14 4.25 -0.18 -0.59 -1.09 0.94 0.06 121.20 123.45 3kk2 s ILE 326 Ca 0.45 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.61 3kk2 s ILE 326 Cb -0.33 -2.78 0.03 0.00 -1.58 0.00 0.00 42.46 37.79 3kk2 s ILE 326 CO 0.43 0.60 -0.13 0.00 -1.23 0.00 0.00 174.94 174.61 3kk2 s ALA 327 N -0.88 2.01 -0.17 9.38 0.00 0.15 -1.79 121.76 130.46 3kk2 s ALA 327 Ca 0.13 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 3kk2 s ALA 327 Cb -0.11 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 3kk2 s ALA 327 CO 0.02 -0.59 0.16 -1.21 0.00 0.00 0.00 175.76 174.14 3kk2 s GLU 328 N 1.41 4.01 0.03 0.00 2.02 -0.77 0.14 118.70 125.52 3kk2 s GLU 328 Ca 0.02 -0.14 0.08 0.00 0.02 0.00 0.00 54.97 54.95 3kk2 s GLU 328 Cb -0.15 -3.36 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 3kk2 s GLU 328 CO -0.10 0.42 -0.22 0.42 0.02 0.00 0.00 175.26 175.80 3kk2 s ILE 329 N -0.01 2.44 -0.04 -1.63 1.01 -1.23 -1.54 121.20 120.20 3kk2 s ILE 329 Ca 0.11 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.59 3kk2 s ILE 329 Cb -0.12 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.38 3kk2 s ILE 329 CO 0.01 0.41 -0.17 -1.10 0.00 0.00 0.00 174.94 174.08 3kk2 s GLN 330 N -1.17 1.79 -0.19 2.79 1.11 0.49 -4.43 119.66 120.05 3kk2 s GLN 330 Ca 0.12 -0.62 -0.29 0.00 0.01 0.00 0.00 55.36 54.59 3kk2 s GLN 330 Cb -0.10 -1.56 -0.01 0.00 -1.01 0.00 0.00 33.01 30.33 3kk2 s GLN 330 CO 0.03 0.25 1.18 0.21 0.01 0.00 0.00 175.29 176.96 3kk2 s LYS 331 N 0.02 4.24 0.00 2.91 2.20 -1.26 -1.66 119.74 126.19 3kk2 s LYS 331 Ca -0.04 1.55 0.20 0.00 -0.36 0.00 0.00 55.97 57.32 3kk2 s LYS 331 Cb -0.11 -3.72 -0.19 0.00 -1.51 0.00 0.00 37.83 32.30 3kk2 s LYS 331 CO 0.02 -0.68 0.88 1.04 -0.36 0.00 0.00 175.35 176.25 3kk2 n GLN 332 N 6.49 0.48 0.00 4.03 1.13 0.96 -4.98 117.38 125.49 3kk2 n GLN 332 Ca 0.13 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3kk2 n GLN 332 Cb 0.45 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.36 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 1.46 -0.49 3.97 1.08 0.00 -1.14 -4.78 105.19 105.29 3kk2 n GLY 333 Ca 0.04 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.30 -4.98 -0.88 1.61 1.13 -1.26 -0.57 117.38 112.12 3kk2 n GLN 334 Ca 0.00 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.61 3kk2 n GLN 334 Cb 0.00 -5.41 0.00 0.00 0.11 0.00 0.00 30.24 24.94 3kk2 n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kk2 n GLY 335 N -1.62 0.83 3.81 1.08 0.00 -1.26 -4.57 105.19 103.47 3kk2 n GLY 335 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.12 3.86 0.01 1.61 -1.52 0.26 -1.92 119.66 121.84 3kk2 s GLN 336 Ca 0.00 0.10 0.02 0.00 -1.95 0.00 0.00 55.36 53.53 3kk2 s GLN 336 Cb 0.00 -3.28 -0.01 0.00 -0.22 0.00 0.00 33.01 29.50 3kk2 s GLN 336 CO 0.00 0.57 -0.06 -1.58 -0.25 0.00 0.00 175.29 173.97 3kk2 s TRP 337 N -0.54 0.53 -0.03 0.91 0.52 -0.53 -0.03 118.94 119.77 3kk2 s TRP 337 Ca 0.18 -0.17 0.08 0.00 0.02 0.00 0.00 56.10 56.20 3kk2 s TRP 337 Cb -0.14 -0.33 -0.02 0.00 -1.15 0.00 0.00 33.47 31.83 3kk2 s TRP 337 CO 0.06 -0.02 -0.25 0.95 0.02 0.00 0.00 176.95 177.71 3kk2 s THR 338 N -0.38 2.09 0.12 2.01 -4.23 -0.67 -0.13 115.64 114.45 3kk2 s THR 338 Ca -0.00 -1.09 0.07 0.00 -1.18 0.00 0.00 61.69 59.49 3kk2 s THR 338 Cb -0.04 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 3kk2 s THR 338 CO -0.00 0.58 -0.17 -0.72 -0.54 0.00 0.00 174.62 173.76 3kk2 s TYR 339 N -0.53 1.62 0.03 3.99 1.13 -0.59 -0.38 117.35 122.61 3kk2 s TYR 339 Ca 0.08 -0.47 0.04 0.00 -1.41 0.00 0.00 57.07 55.30 3kk2 s TYR 339 Cb -0.11 -0.86 -0.02 0.00 -1.10 0.00 0.00 41.96 39.88 3kk2 s TYR 339 CO -0.00 0.21 -0.13 -0.65 -2.51 0.00 0.00 175.55 172.47 3kk2 s GLN 340 N -2.35 0.87 -0.16 -3.49 1.11 -0.59 0.29 119.66 115.34 3kk2 s GLN 340 Ca 0.09 -0.66 0.01 0.00 0.01 0.00 0.00 55.36 54.81 3kk2 s GLN 340 Cb -0.07 -0.85 0.01 0.00 -1.01 0.00 0.00 33.01 31.08 3kk2 s GLN 340 CO 0.04 0.21 -0.18 0.42 0.01 0.00 0.00 175.29 175.80 3kk2 s ILE 341 N -0.74 2.32 0.22 1.08 1.01 0.24 -1.85 121.20 123.48 3kk2 s ILE 341 Ca 0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 3kk2 s ILE 341 Cb -0.07 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3kk2 s ILE 341 CO 0.01 0.53 0.19 -0.72 0.00 0.00 0.00 174.94 174.95 3kk2 s TYR 342 N 1.03 1.11 -0.02 3.97 -0.85 -0.74 0.72 117.35 122.57 3kk2 s TYR 342 Ca -0.01 -1.32 0.01 0.00 -0.52 0.00 0.00 57.07 55.22 3kk2 s TYR 342 Cb -0.14 -0.47 -0.02 0.00 0.38 0.00 0.00 41.96 41.71 3kk2 s TYR 342 CO -0.05 -0.72 -0.01 1.04 -1.52 0.00 0.00 175.55 174.29 3kk2 n GLN 343 N -0.32 1.53 -4.17 -3.49 6.02 -1.26 -0.04 117.38 115.65 3kk2 n GLN 343 Ca 0.02 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.72 3kk2 n GLN 343 Cb 0.65 -1.04 -0.09 0.00 1.02 0.00 0.00 30.24 30.78 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 -2.04 2.37 0.34 -1.09 0.41 -1.26 -4.90 118.70 112.52 3kk2 s GLU 344 Ca -0.02 -0.93 -0.29 0.00 -0.41 0.00 0.00 54.97 53.33 3kk2 s GLU 344 Cb 0.01 -2.44 -0.11 0.00 -1.78 0.00 0.00 34.13 29.81 3kk2 s GLU 344 CO 0.06 0.52 1.50 -2.14 -0.49 0.00 0.00 175.26 174.71 3kk2 s PRO 345 N -2.30 4.15 0.00 0.39 0.02 -1.26 -2.09 135.00 133.91 3kk2 s PRO 345 Ca 0.24 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.78 3kk2 s PRO 345 Cb -0.11 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.40 3kk2 s PRO 345 CO 0.17 -0.52 0.00 1.19 -0.33 0.00 0.00 177.00 177.51 3kk2 n PHE 346 N 1.14 0.00 -2.92 6.54 3.72 -1.26 -4.90 117.46 119.78 3kk2 n PHE 346 Ca 0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 3kk2 n PHE 346 Cb 0.39 -0.38 0.01 0.00 -0.94 0.00 0.00 39.48 38.56 3kk2 n PHE 346 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kk2 n LYS 347 N -2.00 3.97 -2.25 -1.08 4.01 -0.89 -4.70 118.16 115.23 3kk2 n LYS 347 Ca 0.00 -4.22 -0.35 0.00 -0.51 0.00 0.00 58.31 53.23 3kk2 n LYS 347 Cb 0.00 -2.67 0.00 0.00 -0.51 0.00 0.00 35.03 31.85 3kk2 n LYS 347 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3kk2 s ASN 348 N -0.01 5.72 -0.14 4.39 0.01 -1.26 -3.99 114.94 119.65 3kk2 s ASN 348 Ca 0.34 2.15 0.07 0.00 -0.71 0.00 0.00 52.86 54.71 3kk2 s ASN 348 Cb 0.02 -2.58 -0.13 0.00 0.41 0.00 0.00 41.25 38.97 3kk2 s ASN 348 CO 0.03 -1.22 -0.04 0.18 -1.51 0.00 0.00 177.10 174.54 3kk2 n LEU 349 N -1.34 1.36 -3.71 0.60 4.77 0.22 -4.94 117.00 113.96 3kk2 n LEU 349 Ca 0.11 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 3kk2 n LEU 349 Cb 0.51 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 3kk2 n LEU 349 CO 0.42 0.53 0.09 -0.75 -1.33 0.00 0.00 177.39 176.35 3kk2 s LYS 350 N -2.32 1.04 -0.27 3.23 2.20 -1.19 -5.02 119.74 117.40 3kk2 s LYS 350 Ca -0.13 -0.80 -0.14 0.00 -0.36 0.00 0.00 55.97 54.53 3kk2 s LYS 350 Cb 0.05 0.44 0.08 0.00 -1.51 0.00 0.00 37.83 36.89 3kk2 s LYS 350 CO 0.46 -0.39 0.64 0.95 -0.36 0.00 0.00 175.35 176.65 3kk2 s THR 351 N -3.83 -0.15 0.18 3.43 -4.23 -1.26 -0.59 115.64 109.20 3kk2 s THR 351 Ca 0.05 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.58 3kk2 s THR 351 Cb 0.02 -0.94 -0.00 0.00 1.34 0.00 0.00 72.50 72.92 3kk2 s THR 351 CO -0.11 0.01 0.23 0.61 -0.54 0.00 0.00 174.62 174.82 3kk2 n GLY 352 N 4.48 2.87 3.72 3.99 0.00 0.15 -0.44 105.19 119.96 3kk2 n GLY 352 Ca -0.19 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 3kk2 n GLY 352 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kk2 s LYS 353 N -2.53 2.12 -0.29 1.61 2.20 -1.26 -1.54 119.74 120.04 3kk2 s LYS 353 Ca 0.18 -2.20 0.00 0.00 -0.36 0.00 0.00 55.97 53.59 3kk2 s LYS 353 Cb 0.00 -1.67 0.19 0.00 -1.51 0.00 0.00 37.83 34.85 3kk2 s LYS 353 CO 0.13 -0.24 0.69 -0.47 -0.36 0.00 0.00 175.35 175.09 3kk2 s TYR 354 N -2.78 -1.51 0.39 4.03 5.04 0.81 -4.83 117.35 118.50 3kk2 s TYR 354 Ca 0.22 1.11 0.02 0.00 -2.44 0.00 0.00 57.07 55.99 3kk2 s TYR 354 Cb 0.05 0.35 -0.01 0.00 0.35 0.00 0.00 41.96 42.69 3kk2 s TYR 354 CO 0.12 -0.87 0.58 0.00 -1.34 0.00 0.00 175.55 174.05 3kk2 s ALA 355 N 2.86 3.84 0.37 3.97 0.00 -1.26 -1.45 121.76 130.09 3kk2 s ALA 355 Ca 0.14 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 3kk2 s ALA 355 Cb -0.10 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 21.04 3kk2 s ALA 355 CO -0.23 -0.19 0.73 1.03 0.00 0.00 0.00 175.76 177.11 3kk2 s ARG 356 N -4.39 2.16 -0.33 0.00 1.81 -0.81 -4.98 118.95 112.41 3kk2 s ARG 356 Ca 0.45 -1.46 -0.39 0.00 -1.72 0.00 0.00 55.73 52.61 3kk2 s ARG 356 Cb -0.10 0.60 -0.15 0.00 -0.45 0.00 0.00 34.95 34.85 3kk2 s ARG 356 CO 0.36 -0.99 1.96 -0.12 -0.68 0.00 0.00 175.30 175.82 3kk2 n MET 357 N -0.53 0.98 -0.28 3.54 0.00 -1.26 -4.71 117.12 114.86 3kk2 n MET 357 Ca -0.07 0.32 0.01 0.00 0.00 0.00 0.00 57.70 57.96 3kk2 n MET 357 Cb 0.60 -2.16 0.11 0.00 0.00 0.00 0.00 33.22 31.78 3kk2 n MET 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3kk2 n ARG 358 N 6.69 2.05 0.00 2.12 1.74 -1.26 -4.61 116.66 123.39 3kk2 n ARG 358 Ca 0.36 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.51 3kk2 n ARG 358 Cb 0.14 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 3kk2 n ARG 358 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kk2 n GLY 359 N 0.16 -3.57 0.08 -0.13 0.00 -1.26 -4.91 105.19 95.55 3kk2 n GLY 359 Ca 0.09 -1.18 -0.07 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.98 0.41 -0.43 4.61 0.00 -2.05 -3.35 119.26 116.48 3kk2 h ALA 360 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3kk2 h ALA 360 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kk2 h ALA 360 CO 0.00 1.14 0.00 0.72 0.00 0.00 0.00 179.25 181.11 3kk2 n HIS 361 N -3.45 1.56 -1.65 0.00 8.25 -1.26 -5.00 115.22 113.67 3kk2 n HIS 361 Ca -0.01 -0.80 -0.54 0.00 -0.26 0.00 0.00 57.72 56.11 3kk2 n HIS 361 Cb 0.90 -0.42 -0.07 0.00 1.12 0.00 0.00 29.99 31.52 3kk2 n HIS 361 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3kk2 n THR 362 N 0.10 0.14 -3.40 1.59 -2.24 -1.26 -4.90 114.28 104.32 3kk2 n THR 362 Ca 0.25 -0.03 -0.44 0.00 -2.27 0.00 0.00 64.05 61.56 3kk2 n THR 362 Cb 1.06 -1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.20 3kk2 n THR 362 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kk2 s ASN 363 N 1.90 6.09 0.28 3.42 3.84 -1.26 -4.96 114.94 124.25 3kk2 s ASN 363 Ca 0.91 -1.48 0.02 0.00 0.21 0.00 0.00 52.86 52.52 3kk2 s ASN 363 Cb -1.01 -2.16 0.60 0.00 -0.55 0.00 0.00 41.25 38.13 3kk2 s ASN 363 CO 0.55 -0.69 1.81 0.44 -2.79 0.00 0.00 177.10 176.42 3kk2 h ASP 364 N 8.74 0.82 -0.20 -4.21 3.45 -2.00 -1.29 116.42 121.74 3kk2 h ASP 364 Ca -0.28 0.07 -0.07 0.00 0.43 0.00 0.00 57.03 57.18 3kk2 h ASP 364 Cb 1.10 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.78 3kk2 h ASP 364 CO 0.91 0.39 -0.16 0.58 -1.57 0.00 0.00 179.24 179.38 3kk2 h VAL 365 N 0.87 1.33 -0.57 -1.35 2.07 -1.99 -0.84 116.25 115.76 3kk2 h VAL 365 Ca 0.51 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3kk2 h VAL 365 Cb 0.63 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3kk2 h VAL 365 CO -0.31 0.39 0.38 0.50 0.02 0.00 0.00 177.57 178.55 3kk2 h LYS 366 N 0.13 0.74 -0.17 1.57 3.64 -1.73 -1.87 116.57 118.89 3kk2 h LYS 366 Ca 0.04 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 3kk2 h LYS 366 Cb 0.69 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3kk2 h LYS 366 CO 0.04 0.49 -0.44 1.96 -2.27 0.00 0.00 179.45 179.23 3kk2 h GLN 367 N 0.77 0.59 -0.97 1.90 4.20 -1.14 -1.46 115.11 119.00 3kk2 h GLN 367 Ca 0.21 -0.42 0.14 0.00 0.06 0.00 0.00 58.65 58.65 3kk2 h GLN 367 Cb -0.08 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 27.68 3kk2 h GLN 367 CO -0.05 1.04 0.58 1.25 -0.67 0.00 0.00 178.83 180.98 3kk2 h LEU 368 N 0.25 0.81 0.00 1.46 6.46 -0.52 0.60 115.31 124.37 3kk2 h LEU 368 Ca -0.01 0.07 -0.18 0.00 -0.12 0.00 0.00 57.88 57.64 3kk2 h LEU 368 Cb 1.06 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.88 3kk2 h LEU 368 CO 0.10 0.38 -1.07 0.71 -0.62 0.00 0.00 178.44 177.93 3kk2 h THR 369 N 0.85 0.97 0.00 1.05 1.35 -1.29 -1.64 112.91 114.20 3kk2 h THR 369 Ca 0.51 -2.53 -0.08 0.00 -0.55 0.00 0.00 66.41 63.76 3kk2 h THR 369 Cb 0.63 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.46 3kk2 h THR 369 CO -0.32 0.55 -0.40 -0.33 -0.25 0.00 0.00 175.52 174.78 3kk2 h GLU 370 N 0.00 0.00 -0.40 4.72 5.08 -0.41 -2.22 114.58 121.35 3kk2 h GLU 370 Ca -0.09 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 3kk2 h GLU 370 Cb 1.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 3kk2 h GLU 370 CO 0.08 0.40 -0.30 0.00 -1.00 0.00 0.00 179.01 178.18 3kk2 h ALA 371 N 1.60 0.58 0.00 3.43 0.00 0.49 -2.77 119.26 122.59 3kk2 h ALA 371 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3kk2 h ALA 371 Cb 0.87 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kk2 h ALA 371 CO 0.05 0.62 -0.14 -0.39 0.00 0.00 0.00 179.25 179.40 3kk2 h VAL 372 N 0.73 0.24 0.10 0.00 -1.51 -1.18 -1.00 116.25 113.63 3kk2 h VAL 372 Ca 0.08 -1.29 -0.26 0.00 -1.23 0.00 0.00 66.70 64.00 3kk2 h VAL 372 Cb 0.89 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 3kk2 h VAL 372 CO 0.08 0.14 -1.17 1.56 -1.23 0.00 0.00 177.57 176.95 3kk2 h GLN 373 N 0.00 0.29 0.05 5.19 4.20 -1.44 -1.82 115.11 121.57 3kk2 h GLN 373 Ca -0.00 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 3kk2 h GLN 373 Cb 1.06 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.00 3kk2 h GLN 373 CO 0.02 1.18 -0.02 -0.22 -0.67 0.00 0.00 178.83 179.12 3kk2 h LYS 374 N 0.10 -0.06 -0.82 1.46 3.64 -1.40 -1.15 116.57 118.34 3kk2 h LYS 374 Ca -0.12 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 3kk2 h LYS 374 Cb 1.88 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.67 3kk2 h LYS 374 CO 0.19 0.36 0.41 0.82 -2.27 0.00 0.00 179.45 178.97 3kk2 h ILE 375 N -0.50 1.25 0.79 2.00 2.04 -1.26 -0.82 117.51 121.02 3kk2 h ILE 375 Ca -0.01 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3kk2 h ILE 375 Cb 0.45 0.19 0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3kk2 h ILE 375 CO 0.01 0.29 -0.40 0.74 0.00 0.00 0.00 178.15 178.80 3kk2 h THR 376 N 1.16 0.19 -0.95 -0.27 2.02 -1.38 -2.13 112.91 111.55 3kk2 h THR 376 Ca 0.28 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.73 3kk2 h THR 376 Cb 0.09 0.19 -0.14 0.00 -1.74 0.00 0.00 68.15 66.55 3kk2 h THR 376 CO -0.04 0.00 0.44 0.74 0.37 0.00 0.00 175.52 177.03 3kk2 h THR 377 N -1.08 0.36 0.27 3.16 2.02 -0.56 0.39 112.91 117.46 3kk2 h THR 377 Ca -0.11 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3kk2 h THR 377 Cb 0.84 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3kk2 h THR 377 CO 0.17 0.06 -0.13 -0.33 0.37 0.00 0.00 175.52 175.66 3kk2 h GLU 378 N 0.33 -0.35 -0.91 6.66 5.08 -1.07 -2.18 114.58 122.15 3kk2 h GLU 378 Ca 0.64 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 59.17 3kk2 h GLU 378 Cb 1.34 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.58 3kk2 h GLU 378 CO -0.59 -0.15 0.51 0.77 -1.00 0.00 0.00 179.01 178.55 3kk2 h SER 379 N -0.48 0.67 -0.08 1.42 0.02 0.41 0.27 113.55 115.78 3kk2 h SER 379 Ca -0.04 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3kk2 h SER 379 Cb 0.36 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3kk2 h SER 379 CO 0.06 0.29 0.03 0.40 -1.14 0.00 0.00 176.83 176.47 3kk2 h ILE 380 N 0.73 1.16 -0.77 3.27 2.04 -1.13 0.29 117.51 123.10 3kk2 h ILE 380 Ca 0.49 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3kk2 h ILE 380 Cb 0.67 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 3kk2 h ILE 380 CO -0.34 0.14 0.49 0.58 0.00 0.00 0.00 178.15 179.01 3kk2 h VAL 381 N -0.06 1.21 0.11 1.67 2.07 -0.23 0.73 116.25 121.75 3kk2 h VAL 381 Ca 0.02 -0.43 -0.32 0.00 0.82 0.00 0.00 66.70 66.80 3kk2 h VAL 381 Cb 0.20 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3kk2 h VAL 381 CO -0.00 0.21 -1.67 0.40 0.02 0.00 0.00 177.57 176.54 3kk2 h ILE 382 N 1.06 0.99 0.00 4.57 2.04 -0.45 -3.38 117.51 122.34 3kk2 h ILE 382 Ca 0.28 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 63.47 3kk2 h ILE 382 Cb -0.08 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3kk2 h ILE 382 CO -0.06 0.80 0.00 0.79 0.00 0.00 0.00 178.15 179.68 3kk2 n TRP 383 N -3.42 0.00 -1.52 1.37 8.01 0.99 -4.97 117.44 117.91 3kk2 n TRP 383 Ca -0.20 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 55.89 3kk2 n TRP 383 Cb 1.05 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 30.32 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 0.44 0.84 2.97 6.99 0.00 0.25 -4.97 105.19 111.72 3kk2 n GLY 384 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 3kk2 n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kk2 s LYS 385 N -3.26 0.15 0.18 1.61 2.20 -1.24 -4.92 119.74 114.46 3kk2 s LYS 385 Ca 0.00 -0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.27 3kk2 s LYS 385 Cb 0.00 0.07 -0.07 0.00 -1.51 0.00 0.00 37.83 36.31 3kk2 s LYS 385 CO 0.00 -0.03 0.95 0.99 -0.36 0.00 0.00 175.35 176.91 3kk2 s THR 386 N -0.30 4.27 0.31 3.43 2.01 -1.26 -3.62 115.64 120.48 3kk2 s THR 386 Ca -0.04 2.07 -0.17 0.00 0.31 0.00 0.00 61.69 63.87 3kk2 s THR 386 Cb -0.02 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 68.08 3kk2 s THR 386 CO 0.00 0.41 0.76 -2.16 -0.69 0.00 0.00 174.62 172.94 3kk2 s PRO 387 N -0.61 4.10 -0.14 4.92 0.04 -1.26 -4.38 135.00 137.66 3kk2 s PRO 387 Ca 0.44 0.78 -0.23 0.00 0.04 0.00 0.00 61.00 62.03 3kk2 s PRO 387 Cb -0.25 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 3kk2 s PRO 387 CO 0.31 0.20 0.71 0.21 0.04 0.00 0.00 177.00 178.48 3kk2 s LYS 388 N -2.72 4.32 -0.06 4.56 2.20 0.11 -4.39 119.74 123.77 3kk2 s LYS 388 Ca 0.52 0.83 -0.14 0.00 -0.36 0.00 0.00 55.97 56.82 3kk2 s LYS 388 Cb -0.12 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 3kk2 s LYS 388 CO 0.18 -0.15 0.37 -0.06 -0.36 0.00 0.00 175.35 175.33 3kk2 s PHE 389 N 1.56 3.64 -0.56 4.03 0.40 -0.98 0.32 117.98 126.40 3kk2 s PHE 389 Ca 0.35 0.86 -0.17 0.00 -0.60 0.00 0.00 56.93 57.37 3kk2 s PHE 389 Cb -0.17 -2.30 0.12 0.00 0.51 0.00 0.00 43.02 41.18 3kk2 s PHE 389 CO 0.14 0.52 0.57 0.15 0.70 0.00 0.00 175.22 177.30 3kk2 s LYS 390 N -0.57 3.01 -0.21 0.44 1.02 0.12 -0.05 119.74 123.51 3kk2 s LYS 390 Ca 0.22 -1.56 -0.17 0.00 0.02 0.00 0.00 55.97 54.48 3kk2 s LYS 390 Cb -0.15 -4.28 -0.03 0.00 -0.52 0.00 0.00 37.83 32.84 3kk2 s LYS 390 CO 0.10 -1.40 0.47 -0.51 -0.92 0.00 0.00 175.35 173.09 3kk2 s LEU 391 N 2.00 4.14 -0.97 3.17 1.43 0.18 -3.48 118.68 125.14 3kk2 s LEU 391 Ca 0.06 0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 53.68 3kk2 s LEU 391 Cb -0.28 -2.62 -0.09 0.00 0.03 0.00 0.00 46.19 43.23 3kk2 s LEU 391 CO 0.04 -0.15 2.51 -0.81 0.23 0.00 0.00 176.35 178.17 3kk2 n PRO 392 N 4.77 2.49 -3.64 1.29 -0.04 -1.26 -1.14 135.00 137.47 3kk2 n PRO 392 Ca -0.06 -1.56 -0.10 0.00 -0.04 0.00 0.00 63.50 61.74 3kk2 n PRO 392 Cb 0.51 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 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 2.66 0.03 0.17 0.52 2.07 -1.25 -4.95 121.20 120.45 3kk2 s ILE 393 Ca 0.51 -0.54 -0.26 0.00 -1.41 0.00 0.00 60.65 58.95 3kk2 s ILE 393 Cb 0.15 -1.35 -0.08 0.00 0.13 0.00 0.00 42.46 41.31 3kk2 s ILE 393 CO -0.04 -0.13 0.81 -1.58 -1.91 0.00 0.00 174.94 172.09 3kk2 s GLN 394 N -3.83 4.61 0.24 3.50 -0.44 -1.26 -4.38 119.66 118.10 3kk2 s GLN 394 Ca 0.06 1.21 -0.07 0.00 -2.50 0.00 0.00 55.36 54.06 3kk2 s GLN 394 Cb -0.01 -3.28 0.42 0.00 -1.64 0.00 0.00 33.01 28.51 3kk2 s GLN 394 CO -0.07 0.53 1.66 -0.22 0.50 0.00 0.00 175.29 177.69 3kk2 h LYS 395 N 4.44 0.17 -0.11 1.67 3.64 -1.95 -1.31 116.57 123.13 3kk2 h LYS 395 Ca -0.46 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.82 3kk2 h LYS 395 Cb 1.21 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3kk2 h LYS 395 CO 0.67 0.11 -0.27 0.93 -2.27 0.00 0.00 179.45 178.63 3kk2 h GLU 396 N 0.18 0.37 -0.07 1.90 4.39 -1.98 -1.59 114.58 117.77 3kk2 h GLU 396 Ca 0.39 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.88 3kk2 h GLU 396 Cb 0.68 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.32 3kk2 h GLU 396 CO -0.56 0.87 -0.20 1.15 -1.16 0.00 0.00 179.01 179.10 3kk2 h THR 397 N -0.07 0.50 -0.95 1.13 2.02 -1.88 0.13 112.91 113.80 3kk2 h THR 397 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 3kk2 h THR 397 Cb 0.87 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 67.71 3kk2 h THR 397 CO 0.06 0.00 0.60 -0.25 0.37 0.00 0.00 175.52 176.30 3kk2 h TRP 398 N -0.29 1.10 0.00 3.16 2.91 -1.12 -2.06 115.95 119.64 3kk2 h TRP 398 Ca 0.08 0.03 -0.17 0.00 1.13 0.00 0.00 58.89 59.96 3kk2 h TRP 398 Cb 0.40 -0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 28.67 3kk2 h TRP 398 CO -0.28 0.52 -0.89 0.93 -1.03 0.00 0.00 178.44 177.68 3kk2 h GLU 399 N 1.04 0.00 -0.13 2.65 5.08 -0.75 -1.22 114.58 121.25 3kk2 h GLU 399 Ca 0.43 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.82 3kk2 h GLU 399 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3kk2 h GLU 399 CO -0.21 0.71 0.09 1.15 -1.00 0.00 0.00 179.01 179.75 3kk2 h THR 400 N 0.00 0.97 0.00 1.13 2.02 -0.02 -3.39 112.91 113.63 3kk2 h THR 400 Ca -0.04 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3kk2 h THR 400 Cb 1.62 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3kk2 h THR 400 CO 0.09 0.01 -0.46 0.79 0.37 0.00 0.00 175.52 176.33 3kk2 n TRP 401 N -4.51 0.00 -0.15 3.16 8.01 -1.14 -4.91 117.44 117.90 3kk2 n TRP 401 Ca -0.00 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.21 3kk2 n TRP 401 Cb 0.16 0.00 0.32 0.00 -2.01 0.00 0.00 31.31 29.78 3kk2 n TRP 401 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.69 176.79 3kk2 h TRP 402 N 0.00 0.79 0.00 -5.99 5.08 -1.41 -0.20 115.95 114.22 3kk2 h TRP 402 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3kk2 h TRP 402 Cb 0.04 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 25.93 3kk2 h TRP 402 CO 0.00 0.48 0.00 0.25 -1.28 0.00 0.00 178.44 177.89 3kk2 n THR 403 N -4.45 0.84 0.37 0.12 -2.24 -1.26 -0.98 114.28 106.68 3kk2 n THR 403 Ca 0.07 0.27 0.09 0.00 -2.27 0.00 0.00 64.05 62.21 3kk2 n THR 403 Cb 0.08 -1.21 0.40 0.00 -2.10 0.00 0.00 70.33 67.49 3kk2 n THR 403 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kk2 n GLU 404 N -2.25 0.11 0.00 -0.78 -0.58 -0.09 -3.20 120.64 113.84 3kk2 n GLU 404 Ca 0.02 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 3kk2 n GLU 404 Cb 0.21 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 3kk2 n GLU 404 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3kk2 n TYR 405 N -1.93 0.00 -2.81 -0.32 4.01 -0.15 -5.05 117.16 110.91 3kk2 n TYR 405 Ca 0.02 -0.22 -0.39 0.00 -0.16 0.00 0.00 57.90 57.15 3kk2 n TYR 405 Cb 0.17 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 3kk2 n TYR 405 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3kk2 s TRP 406 N -0.44 3.87 0.00 -0.72 -0.11 -1.10 -4.81 118.94 115.63 3kk2 s TRP 406 Ca 0.00 1.82 0.00 0.00 1.22 0.00 0.00 56.10 59.14 3kk2 s TRP 406 Cb 0.00 -2.92 0.00 0.00 -1.50 0.00 0.00 33.47 29.05 3kk2 s TRP 406 CO 0.00 0.38 0.04 1.04 -4.62 0.00 0.00 176.95 173.79 3kk2 n GLN 407 N 1.18 0.04 -3.60 5.86 1.13 -1.26 -4.77 117.38 115.96 3kk2 n GLN 407 Ca -0.01 -0.04 -0.29 0.00 -1.94 0.00 0.00 57.00 54.72 3kk2 n GLN 407 Cb 0.48 -0.46 -0.04 0.00 0.11 0.00 0.00 30.24 30.34 3kk2 n GLN 407 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kk2 s ALA 408 N -0.02 3.76 -0.65 -1.58 0.00 -1.26 -4.95 121.76 117.06 3kk2 s ALA 408 Ca 0.00 -0.66 0.25 0.00 0.00 0.00 0.00 51.96 51.55 3kk2 s ALA 408 Cb 0.00 -2.12 0.51 0.00 0.00 0.00 0.00 23.12 21.51 3kk2 s ALA 408 CO 0.00 0.47 1.50 1.79 0.00 0.00 0.00 175.76 179.52 3kk2 h THR 409 N 1.68 0.00 -2.21 0.00 1.35 -1.98 -3.46 112.91 108.29 3kk2 h THR 409 Ca -0.47 -0.53 -0.51 0.00 -0.55 0.00 0.00 66.41 64.35 3kk2 h THR 409 Cb 1.18 1.29 -0.05 0.00 -1.73 0.00 0.00 68.15 68.84 3kk2 h THR 409 CO 0.69 0.00 -0.54 -1.66 -0.25 0.00 0.00 175.52 173.76 3kk2 s TRP 410 N -3.15 3.08 -0.09 4.73 1.48 -1.26 -4.79 118.94 118.93 3kk2 s TRP 410 Ca 0.08 -0.12 -0.02 0.00 -1.06 0.00 0.00 56.10 54.97 3kk2 s TRP 410 Cb 0.12 -1.38 0.04 0.00 -1.16 0.00 0.00 33.47 31.09 3kk2 s TRP 410 CO 0.67 0.53 0.05 0.42 -4.06 0.00 0.00 176.95 174.56 3kk2 s ILE 411 N -2.14 0.09 0.48 0.66 1.01 -1.26 -5.03 121.20 115.00 3kk2 s ILE 411 Ca 0.33 0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.89 3kk2 s ILE 411 Cb -0.08 -0.42 -0.08 0.00 0.01 0.00 0.00 42.46 41.89 3kk2 s ILE 411 CO 0.24 0.07 1.10 -2.16 0.00 0.00 0.00 174.94 174.19 3kk2 s PRO 412 N 2.08 3.75 0.69 2.79 0.04 -1.26 -4.81 135.00 138.28 3kk2 s PRO 412 Ca 0.04 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 3kk2 s PRO 412 Cb -0.13 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.19 3kk2 s PRO 412 CO -0.05 -0.51 1.18 -1.21 0.04 0.00 0.00 177.00 176.44 3kk2 s GLU 413 N -2.97 2.42 0.18 4.56 0.41 -1.26 -4.94 118.70 117.10 3kk2 s GLU 413 Ca 0.66 1.66 -0.16 0.00 -0.41 0.00 0.00 54.97 56.72 3kk2 s GLU 413 Cb -0.22 -1.88 0.03 0.00 -1.78 0.00 0.00 34.13 30.28 3kk2 s GLU 413 CO 0.27 -1.60 0.47 1.67 -0.49 0.00 0.00 175.26 175.58 3kk2 s TRP 414 N -2.04 -0.10 -0.01 1.61 -2.14 -1.26 -2.31 118.94 112.70 3kk2 s TRP 414 Ca 0.73 -0.24 -0.08 0.00 2.66 0.00 0.00 56.10 59.17 3kk2 s TRP 414 Cb -0.27 0.32 0.01 0.00 -3.10 0.00 0.00 33.47 30.43 3kk2 s TRP 414 CO 0.43 -0.85 0.16 -1.83 -2.66 0.00 0.00 176.95 172.20 3kk2 s GLU 415 N -3.86 0.47 -0.06 3.25 -1.05 0.93 -4.89 118.70 113.48 3kk2 s GLU 415 Ca 0.08 -0.31 -0.15 0.00 -0.15 0.00 0.00 54.97 54.45 3kk2 s GLU 415 Cb 0.00 0.20 -0.05 0.00 -0.44 0.00 0.00 34.13 33.84 3kk2 s GLU 415 CO -0.05 -0.11 0.39 -0.06 0.95 0.00 0.00 175.26 176.38 3kk2 s PHE 416 N -1.21 3.62 0.03 4.83 0.08 -1.26 -0.65 117.98 123.43 3kk2 s PHE 416 Ca -0.13 0.87 0.04 0.00 0.12 0.00 0.00 56.93 57.83 3kk2 s PHE 416 Cb -0.07 -2.34 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 3kk2 s PHE 416 CO 0.02 0.47 -0.12 0.54 -0.10 0.00 0.00 175.22 176.03 3kk2 s VAL 417 N -0.42 0.93 -0.66 -0.44 0.11 -0.29 -4.86 120.40 114.77 3kk2 s VAL 417 Ca 0.22 -0.86 -0.20 0.00 -2.93 0.00 0.00 61.98 58.21 3kk2 s VAL 417 Cb -0.15 -0.85 0.10 0.00 -1.53 0.00 0.00 36.38 33.95 3kk2 s VAL 417 CO 0.10 -0.01 0.85 0.54 -3.33 0.00 0.00 175.10 173.25 3kk2 s ASN 418 N -0.98 6.25 0.26 3.54 2.20 -1.26 -3.78 114.94 121.17 3kk2 s ASN 418 Ca 0.00 -1.40 -0.30 0.00 -0.94 0.00 0.00 52.86 50.22 3kk2 s ASN 418 Cb -0.07 -2.35 -0.10 0.00 -2.00 0.00 0.00 41.25 36.73 3kk2 s ASN 418 CO 0.01 -1.20 1.32 0.28 -2.94 0.00 0.00 177.10 174.57 3kk2 s THR 419 N 3.07 2.94 0.17 0.54 -1.32 -1.26 -4.95 115.64 114.83 3kk2 s THR 419 Ca 0.18 0.84 -0.33 0.00 -1.21 0.00 0.00 61.69 61.17 3kk2 s THR 419 Cb -0.19 -3.54 -0.13 0.00 -1.51 0.00 0.00 72.50 67.13 3kk2 s THR 419 CO 0.05 0.16 1.64 -2.65 -2.21 0.00 0.00 174.62 171.61 3kk2 n PRO 420 N 1.86 2.40 0.00 7.08 -0.02 -1.26 -4.80 135.00 140.26 3kk2 n PRO 420 Ca 0.04 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3kk2 n PRO 420 Cb 0.42 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3kk2 n PRO 420 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kk2 n PRO 421 N 3.74 0.00 -0.07 0.52 -0.02 -1.26 -1.73 135.00 136.17 3kk2 n PRO 421 Ca 0.17 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 3kk2 n PRO 421 Cb 0.31 -1.60 -0.09 0.00 -0.02 0.00 0.00 33.50 32.10 3kk2 n PRO 421 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kk2 h LEU 422 N 0.00 0.00 -2.04 2.45 5.85 -2.01 -3.35 115.31 116.21 3kk2 h LEU 422 Ca 0.00 -0.61 0.12 0.00 0.84 0.00 0.00 57.88 58.22 3kk2 h LEU 422 Cb 0.20 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3kk2 h LEU 422 CO 0.00 0.98 0.38 0.58 -0.34 0.00 0.00 178.44 180.04 3kk2 h VAL 423 N -1.00 0.50 -0.34 1.05 2.07 -1.71 0.36 116.25 117.18 3kk2 h VAL 423 Ca -0.07 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.28 3kk2 h VAL 423 Cb 0.82 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3kk2 h VAL 423 CO -0.04 0.00 -0.44 0.07 0.02 0.00 0.00 177.57 177.17 3kk2 h LYS 424 N 0.00 0.88 0.00 1.57 2.10 -1.71 -3.19 116.57 116.23 3kk2 h LYS 424 Ca 0.19 -0.50 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 3kk2 h LYS 424 Cb 0.95 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 3kk2 h LYS 424 CO -0.00 1.14 0.00 1.25 -2.00 0.00 0.00 179.45 179.84 3kk2 h LEU 425 N 0.71 0.00 0.05 7.07 7.12 -0.40 -2.09 115.31 127.77 3kk2 h LEU 425 Ca 0.04 0.00 -0.14 0.00 0.13 0.00 0.00 57.88 57.91 3kk2 h LEU 425 Cb 1.04 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.16 3kk2 h LEU 425 CO 0.10 0.00 -0.73 -0.50 -0.13 0.00 0.00 178.44 177.19 3kk2 h TRP 426 N 0.00 0.21 0.00 1.25 -0.00 -1.52 -3.34 115.95 112.54 3kk2 h TRP 426 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 58.89 58.74 3kk2 h TRP 426 Cb 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 29.35 3kk2 h TRP 426 CO 0.00 1.28 -0.20 0.66 -0.00 0.00 0.00 178.44 180.18 3kk2 n TYR 427 N -4.32 0.38 -1.47 0.49 4.01 -1.10 -4.68 117.16 110.48 3kk2 n TYR 427 Ca -0.18 0.11 -0.42 0.00 -0.16 0.00 0.00 57.90 57.25 3kk2 n TYR 427 Cb 0.68 -0.62 0.01 0.00 -0.31 0.00 0.00 39.34 39.10 3kk2 n TYR 427 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kk2 n GLN 428 N -1.84 0.64 -3.90 -0.72 1.13 -0.81 -4.93 117.38 106.96 3kk2 n GLN 428 Ca 0.06 0.23 -0.29 0.00 -1.94 0.00 0.00 57.00 55.06 3kk2 n GLN 428 Cb 0.38 -1.55 -0.04 0.00 0.11 0.00 0.00 30.24 29.15 3kk2 n GLN 428 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3kk2 s LEU 429 N 1.56 4.34 0.00 1.08 1.43 -1.26 -4.75 118.68 121.08 3kk2 s LEU 429 Ca 0.63 0.27 0.32 0.00 -1.03 0.00 0.00 54.13 54.32 3kk2 s LEU 429 Cb -0.61 -2.98 1.89 0.00 0.03 0.00 0.00 46.19 44.52 3kk2 s LEU 429 CO 0.58 0.11 2.22 -1.84 0.23 0.00 0.00 176.35 177.65