#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kk1 s ILE 5 N 0.00 2.78 0.05 0.52 1.01 -1.26 -5.13 121.20 119.16 3kk1 s ILE 5 Ca 0.00 -1.55 -0.10 0.00 0.00 0.00 0.00 60.65 59.00 3kk1 s ILE 5 Cb 0.00 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 3kk1 s ILE 5 CO 0.00 0.09 0.36 -0.70 0.00 0.00 0.00 174.94 174.69 3kk1 s GLU 6 N -2.17 3.73 0.13 2.79 2.56 -1.26 -4.95 118.70 119.53 3kk1 s GLU 6 Ca 0.18 0.14 -0.30 0.00 0.00 0.00 0.00 54.97 54.98 3kk1 s GLU 6 Cb -0.10 -3.05 -0.06 0.00 2.00 0.00 0.00 34.13 32.91 3kk1 s GLU 6 CO 0.10 0.60 0.98 -0.08 -0.56 0.00 0.00 175.26 176.30 3kk1 s THR 7 N -1.32 4.39 -0.20 -1.70 -1.32 -1.26 -4.96 115.64 109.27 3kk1 s THR 7 Ca 0.30 2.01 -0.13 0.00 -1.21 0.00 0.00 61.69 62.65 3kk1 s THR 7 Cb -0.14 -4.28 -0.04 0.00 -1.51 0.00 0.00 72.50 66.52 3kk1 s THR 7 CO 0.17 0.32 0.29 0.54 -2.21 0.00 0.00 174.62 173.72 3kk1 s VAL 8 N -0.07 5.29 0.55 5.08 0.11 -1.26 -4.96 120.40 125.12 3kk1 s VAL 8 Ca 0.47 0.48 -0.22 0.00 -2.93 0.00 0.00 61.98 59.78 3kk1 s VAL 8 Cb -0.24 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 30.94 3kk1 s VAL 8 CO 0.31 0.32 1.36 -2.65 -3.33 0.00 0.00 175.10 171.11 3kk1 n PRO 9 N 4.16 1.71 -3.85 1.54 -0.02 -1.26 -4.42 135.00 132.86 3kk1 n PRO 9 Ca -0.12 0.63 -0.11 0.00 -2.02 0.00 0.00 63.50 61.88 3kk1 n PRO 9 Cb 0.52 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 3kk1 n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kk1 s VAL 10 N -1.28 0.08 0.26 -1.45 1.01 -1.26 -5.06 120.40 112.69 3kk1 s VAL 10 Ca 0.71 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3kk1 s VAL 10 Cb -0.42 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3kk1 s VAL 10 CO 0.49 -0.35 0.14 -1.59 0.00 0.00 0.00 175.10 173.79 3kk1 s LYS 11 N -1.35 1.44 0.48 2.72 -2.85 -1.26 -4.79 119.74 114.13 3kk1 s LYS 11 Ca -0.14 -1.79 -0.03 0.00 -1.00 0.00 0.00 55.97 53.01 3kk1 s LYS 11 Cb -0.07 -0.03 -0.02 0.00 -2.06 0.00 0.00 37.83 35.65 3kk1 s LYS 11 CO 0.02 -0.39 0.75 -0.51 0.10 0.00 0.00 175.35 175.31 3kk1 s LEU 12 N -3.30 3.60 0.64 2.77 1.43 -1.26 -0.29 118.68 122.26 3kk1 s LEU 12 Ca 0.38 0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 53.93 3kk1 s LEU 12 Cb 0.06 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 3kk1 s LEU 12 CO 0.15 -0.69 1.29 -0.54 0.23 0.00 0.00 176.35 176.79 3kk1 s LYS 13 N -4.69 2.63 0.31 1.70 1.02 -0.72 -4.51 119.74 115.48 3kk1 s LYS 13 Ca 0.48 2.04 -0.29 0.00 0.02 0.00 0.00 55.97 58.22 3kk1 s LYS 13 Cb -0.10 -1.87 -0.11 0.00 -0.52 0.00 0.00 37.83 35.23 3kk1 s LYS 13 CO 0.42 -1.53 1.45 -1.25 -0.92 0.00 0.00 175.35 173.51 3kk1 s PRO 14 N -3.35 4.23 0.00 -1.68 0.04 -1.26 -2.37 135.00 130.61 3kk1 s PRO 14 Ca 0.82 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.25 3kk1 s PRO 14 Cb -0.37 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3kk1 s PRO 14 CO 0.39 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.41 3kk1 n GLY 15 N 1.44 0.86 3.47 0.56 0.00 -1.26 -5.02 105.19 105.24 3kk1 n GLY 15 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3kk1 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kk1 s MET 16 N -0.19 2.35 0.25 1.61 -1.94 -1.00 -5.13 119.30 115.26 3kk1 s MET 16 Ca 0.00 -0.80 0.07 0.00 -1.71 0.00 0.00 55.69 53.25 3kk1 s MET 16 Cb 0.00 -2.31 -0.04 0.00 2.01 0.00 0.00 34.83 34.50 3kk1 s MET 16 CO 0.00 0.59 0.20 0.34 -0.01 0.00 0.00 175.02 176.14 3kk1 s ASP 17 N -0.99 5.51 1.13 3.03 2.15 -1.26 -4.76 116.67 121.49 3kk1 s ASP 17 Ca 0.13 -0.26 -0.12 0.00 0.43 0.00 0.00 52.55 52.72 3kk1 s ASP 17 Cb -0.11 -1.39 0.27 0.00 -0.30 0.00 0.00 42.92 41.39 3kk1 s ASP 17 CO 0.02 -0.05 1.04 -0.83 -0.17 0.00 0.00 175.17 175.19 3kk1 s GLY 18 N -3.85 1.56 0.43 2.66 0.00 -1.26 -4.94 107.32 101.93 3kk1 s GLY 18 Ca 0.33 -0.04 -0.25 0.00 0.00 0.00 0.00 44.72 44.76 3kk1 s GLY 18 CO 0.25 0.64 1.26 2.56 0.00 0.00 0.00 173.10 177.81 3kk1 s PRO 19 N -4.49 3.86 -0.48 2.90 0.04 -1.26 -4.94 135.00 130.62 3kk1 s PRO 19 Ca 0.68 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.84 3kk1 s PRO 19 Cb -0.25 -2.63 0.27 0.00 0.04 0.00 0.00 34.50 31.94 3kk1 s PRO 19 CO 0.64 -0.55 0.66 1.63 0.04 0.00 0.00 177.00 179.42 3kk1 n LYS 20 N -0.11 1.55 -3.82 4.56 5.02 -1.24 -1.02 118.16 123.10 3kk1 n LYS 20 Ca 0.05 -3.85 -0.36 0.00 -2.02 0.00 0.00 58.31 52.13 3kk1 n LYS 20 Cb 0.45 -1.70 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 3kk1 n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kk1 s VAL 21 N -2.08 3.97 0.33 -0.18 1.01 0.01 -4.87 120.40 118.60 3kk1 s VAL 21 Ca 0.39 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3kk1 s VAL 21 Cb 0.20 -2.84 -0.11 0.00 0.00 0.00 0.00 36.38 33.63 3kk1 s VAL 21 CO -0.08 0.37 1.49 -0.54 0.00 0.00 0.00 175.10 176.34 3kk1 s LYS 22 N 1.55 4.17 0.26 2.72 1.02 -1.26 -3.78 119.74 124.42 3kk1 s LYS 22 Ca 0.06 2.49 -0.30 0.00 0.02 0.00 0.00 55.97 58.25 3kk1 s LYS 22 Cb -0.15 -3.01 -0.10 0.00 -0.52 0.00 0.00 37.83 34.05 3kk1 s LYS 22 CO 0.01 -0.50 1.32 -1.14 -0.92 0.00 0.00 175.35 174.12 3kk1 s GLN 23 N -1.40 4.37 0.31 1.68 2.00 -1.26 -4.73 119.66 120.64 3kk1 s GLN 23 Ca 0.56 2.15 -0.00 0.00 -2.00 0.00 0.00 55.36 56.07 3kk1 s GLN 23 Cb -0.45 -3.13 -0.04 0.00 0.80 0.00 0.00 33.01 30.19 3kk1 s GLN 23 CO 0.55 -0.23 0.52 1.67 -0.50 0.00 0.00 175.29 177.30 3kk1 s TRP 24 N -0.48 3.49 0.26 1.67 -2.14 -1.26 -5.05 118.94 115.43 3kk1 s TRP 24 Ca 0.53 0.36 -0.31 0.00 2.66 0.00 0.00 56.10 59.35 3kk1 s TRP 24 Cb -0.38 -1.90 -0.12 0.00 -3.10 0.00 0.00 33.47 27.97 3kk1 s TRP 24 CO 0.45 0.18 1.61 -0.35 -2.66 0.00 0.00 176.95 176.18 3kk1 n PRO 25 N -1.52 2.63 -4.58 3.25 -0.04 -1.26 -4.96 135.00 128.52 3kk1 n PRO 25 Ca -0.05 0.94 -0.31 0.00 -0.04 0.00 0.00 63.50 64.05 3kk1 n PRO 25 Cb 0.56 -2.73 -0.12 0.00 -0.04 0.00 0.00 33.50 31.17 3kk1 n PRO 25 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kk1 s LEU 26 N 0.10 2.67 0.81 1.53 1.43 -1.26 -5.12 118.68 118.83 3kk1 s LEU 26 Ca 0.68 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 3kk1 s LEU 26 Cb -0.52 -1.55 0.08 0.00 0.03 0.00 0.00 46.19 44.22 3kk1 s LEU 26 CO 0.44 0.24 1.09 0.42 0.23 0.00 0.00 176.35 178.77 3kk1 s THR 27 N -0.97 3.15 0.19 5.49 -4.23 -1.26 -4.78 115.64 113.23 3kk1 s THR 27 Ca 0.15 0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 3kk1 s THR 27 Cb -0.11 -2.89 0.10 0.00 1.34 0.00 0.00 72.50 70.95 3kk1 s THR 27 CO 0.06 -0.49 1.80 -0.08 -0.54 0.00 0.00 174.62 175.37 3kk1 h GLU 28 N -1.23 0.58 -0.92 3.99 4.81 -2.00 -1.05 114.58 118.76 3kk1 h GLU 28 Ca -0.45 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.78 3kk1 h GLU 28 Cb 1.25 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 3kk1 h GLU 28 CO 0.53 0.38 0.59 1.05 -0.73 0.00 0.00 179.01 180.83 3kk1 h GLU 29 N 0.59 1.11 -0.09 1.92 4.11 -2.00 -0.46 114.58 119.77 3kk1 h GLU 29 Ca 0.25 -0.07 -0.05 0.00 0.07 0.00 0.00 59.36 59.56 3kk1 h GLU 29 Cb 0.13 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3kk1 h GLU 29 CO -0.15 0.73 -0.13 0.87 0.07 0.00 0.00 179.01 180.40 3kk1 h LYS 30 N 1.14 0.24 -0.68 1.06 1.57 -1.76 -2.67 116.57 115.47 3kk1 h LYS 30 Ca 0.37 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3kk1 h LYS 30 Cb 0.03 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3kk1 h LYS 30 CO -0.13 0.71 0.45 0.82 -0.57 0.00 0.00 179.45 180.73 3kk1 h ILE 31 N -0.21 1.13 -0.68 1.86 2.04 -0.84 -0.01 117.51 120.80 3kk1 h ILE 31 Ca 0.01 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 3kk1 h ILE 31 Cb 0.69 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3kk1 h ILE 31 CO 0.03 0.16 0.21 0.11 0.00 0.00 0.00 178.15 178.65 3kk1 h LYS 32 N 0.86 1.07 -0.12 2.37 6.56 -1.06 -1.40 116.57 124.85 3kk1 h LYS 32 Ca 0.26 -0.23 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 3kk1 h LYS 32 Cb -0.02 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.49 3kk1 h LYS 32 CO -0.07 0.93 -0.02 0.00 -2.06 0.00 0.00 179.45 178.23 3kk1 h ALA 33 N 1.09 0.16 -0.76 3.86 0.00 -0.96 -2.64 119.26 120.01 3kk1 h ALA 33 Ca 0.22 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3kk1 h ALA 33 Cb 0.31 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3kk1 h ALA 33 CO -0.01 -0.12 0.43 -0.07 0.00 0.00 0.00 179.25 179.49 3kk1 h LEU 34 N -0.09 0.64 -1.45 0.00 3.38 -0.94 0.94 115.31 117.79 3kk1 h LEU 34 Ca 0.03 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3kk1 h LEU 34 Cb 0.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3kk1 h LEU 34 CO 0.01 0.39 -0.28 0.58 0.09 0.00 0.00 178.44 179.23 3kk1 h VAL 35 N 0.77 1.14 0.02 1.22 2.07 -1.18 0.73 116.25 121.02 3kk1 h VAL 35 Ca 0.35 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 3kk1 h VAL 35 Cb 0.26 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3kk1 h VAL 35 CO -0.21 0.27 -0.16 -0.08 0.02 0.00 0.00 177.57 177.41 3kk1 h GLU 36 N 0.00 0.06 -0.59 1.57 4.81 -0.94 -2.45 114.58 117.04 3kk1 h GLU 36 Ca -0.00 -0.10 0.10 0.00 -0.13 0.00 0.00 59.36 59.22 3kk1 h GLU 36 Cb 0.51 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 3kk1 h GLU 36 CO 0.04 1.02 0.20 0.82 -0.73 0.00 0.00 179.01 180.35 3kk1 h ILE 37 N -0.83 0.74 -0.24 2.32 2.04 -0.72 -2.32 117.51 118.50 3kk1 h ILE 37 Ca -0.03 -0.13 -0.18 0.00 1.00 0.00 0.00 64.86 65.53 3kk1 h ILE 37 Cb 1.09 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3kk1 h ILE 37 CO 0.03 0.07 -0.58 0.00 0.00 0.00 0.00 178.15 177.66 3kk1 h THR 39 N 0.57 1.24 -0.37 0.00 1.35 -1.32 0.08 112.91 114.47 3kk1 h THR 39 Ca 0.00 -0.44 -0.11 0.00 -0.55 0.00 0.00 66.41 65.31 3kk1 h THR 39 Cb 1.17 -0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 3kk1 h THR 39 CO 0.12 0.23 -0.20 -0.08 -0.25 0.00 0.00 175.52 175.35 3kk1 h GLU 40 N 1.28 0.78 0.00 4.72 4.57 -1.04 -1.54 114.58 123.36 3kk1 h GLU 40 Ca 0.35 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3kk1 h GLU 40 Cb -0.15 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 3kk1 h GLU 40 CO -0.07 0.97 0.00 0.52 -1.18 0.00 0.00 179.01 179.25 3kk1 h MET 41 N 0.57 0.00 0.13 1.92 2.86 -0.53 -2.09 114.93 117.80 3kk1 h MET 41 Ca 0.08 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.52 3kk1 h MET 41 Cb 0.75 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.42 3kk1 h MET 41 CO 0.06 0.00 -0.91 1.49 1.06 0.00 0.00 176.91 178.60 3kk1 h GLU 42 N 0.00 0.27 -0.11 1.72 4.81 -0.53 0.78 114.58 121.52 3kk1 h GLU 42 Ca 0.00 -0.46 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 3kk1 h GLU 42 Cb 0.46 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 3kk1 h GLU 42 CO 0.00 1.22 -0.46 0.87 -0.73 0.00 0.00 179.01 179.91 3kk1 h LYS 43 N -0.40 -0.52 0.00 1.92 1.57 -1.11 0.14 116.57 118.18 3kk1 h LYS 43 Ca -0.17 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3kk1 h LYS 43 Cb 1.63 0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.06 3kk1 h LYS 43 CO 0.12 -0.35 0.00 0.39 -0.57 0.00 0.00 179.45 179.04 3kk1 n GLU 44 N -5.44 0.20 -1.09 3.15 1.02 -0.80 -4.77 120.64 112.90 3kk1 n GLU 44 Ca -0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.06 3kk1 n GLU 44 Cb 0.37 -1.27 -0.01 0.00 -0.02 0.00 0.00 31.44 30.51 3kk1 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kk1 n GLY 45 N -0.47 0.42 0.17 0.62 0.00 0.04 -4.86 105.19 101.11 3kk1 n GLY 45 Ca 0.03 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3kk1 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kk1 h LYS 46 N 0.21 0.00 -4.54 1.61 1.57 -1.06 -3.45 116.57 110.90 3kk1 h LYS 46 Ca -0.06 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.52 3kk1 h LYS 46 Cb 0.80 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.95 3kk1 h LYS 46 CO 0.09 0.38 -0.69 0.96 -0.57 0.00 0.00 179.45 179.62 3kk1 s ILE 47 N -3.14 0.57 0.05 1.86 -4.36 -1.05 -1.28 121.20 113.86 3kk1 s ILE 47 Ca 0.04 -1.85 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 3kk1 s ILE 47 Cb 0.08 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 42.19 3kk1 s ILE 47 CO 0.71 -0.87 -0.14 -0.44 0.24 0.00 0.00 174.94 174.44 3kk1 s SER 48 N -2.92 1.71 0.43 4.36 0.01 -0.03 -4.44 113.70 112.82 3kk1 s SER 48 Ca 0.09 -0.53 -0.25 0.00 1.31 0.00 0.00 55.95 56.57 3kk1 s SER 48 Cb 0.05 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.11 3kk1 s SER 48 CO -0.06 -0.01 1.26 -0.54 0.41 0.00 0.00 173.24 174.30 3kk1 s LYS 49 N -1.40 3.85 0.24 12.44 1.02 -1.26 -0.51 119.74 134.12 3kk1 s LYS 49 Ca 0.00 2.03 0.01 0.00 0.02 0.00 0.00 55.97 58.04 3kk1 s LYS 49 Cb -0.09 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 3kk1 s LYS 49 CO 0.02 -0.55 0.17 0.96 -0.92 0.00 0.00 175.35 175.03 3kk1 s ILE 50 N -1.35 0.05 0.42 2.17 -4.36 0.62 -4.83 121.20 113.93 3kk1 s ILE 50 Ca 0.60 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 59.05 3kk1 s ILE 50 Cb -0.35 -2.51 0.06 0.00 1.25 0.00 0.00 42.46 40.91 3kk1 s ILE 50 CO 0.44 0.00 0.50 0.61 0.24 0.00 0.00 174.94 176.73 3kk1 n GLY 51 N -0.39 2.25 0.19 6.27 0.00 -1.26 -4.46 105.19 107.79 3kk1 n GLY 51 Ca 0.03 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 43.97 3kk1 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kk1 h PRO 52 N 0.00 0.00 0.00 1.61 0.13 -1.99 -3.16 132.00 128.59 3kk1 h PRO 52 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3kk1 h PRO 52 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3kk1 h PRO 52 CO 0.33 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.15 3kk1 h GLU 53 N 0.00 0.00 -6.22 0.86 9.09 -2.02 -3.37 114.58 112.93 3kk1 h GLU 53 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.84 3kk1 h GLU 53 Cb 0.43 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.48 3kk1 h GLU 53 CO 0.00 0.00 0.90 1.21 0.05 0.00 0.00 179.01 181.17 3kk1 s ASN 54 N -5.65 6.88 0.00 3.06 3.84 -1.20 -4.93 114.94 116.95 3kk1 s ASN 54 Ca 0.02 1.43 0.30 0.00 0.21 0.00 0.00 52.86 54.82 3kk1 s ASN 54 Cb 0.09 -2.54 1.50 0.00 -0.55 0.00 0.00 41.25 39.74 3kk1 s ASN 54 CO 0.54 -0.86 2.01 -0.81 -2.79 0.00 0.00 177.10 175.20 3kk1 n PRO 55 N 6.81 0.92 -3.99 0.43 -0.05 -1.26 -4.92 135.00 132.93 3kk1 n PRO 55 Ca 0.14 -0.23 -0.22 0.00 -0.05 0.00 0.00 63.50 63.13 3kk1 n PRO 55 Cb 0.46 -1.50 -0.03 0.00 -0.05 0.00 0.00 33.50 32.39 3kk1 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 3kk1 s TYR 56 N -2.24 3.40 -0.12 0.54 2.02 -1.26 -4.81 117.35 114.88 3kk1 s TYR 56 Ca 0.37 -0.00 -0.29 0.00 -0.37 0.00 0.00 57.07 56.78 3kk1 s TYR 56 Cb 0.21 -1.56 0.09 0.00 -0.40 0.00 0.00 41.96 40.29 3kk1 s TYR 56 CO 0.41 0.47 0.78 1.21 -1.57 0.00 0.00 175.55 176.85 3kk1 s ASN 57 N -3.76 -0.60 -0.08 2.29 2.47 -0.19 -4.77 114.94 110.30 3kk1 s ASN 57 Ca 0.34 0.77 -0.05 0.00 0.42 0.00 0.00 52.86 54.34 3kk1 s ASN 57 Cb -0.09 0.66 0.03 0.00 -1.45 0.00 0.00 41.25 40.40 3kk1 s ASN 57 CO 0.28 -0.46 0.19 -0.89 -3.72 0.00 0.00 177.10 172.49 3kk1 s THR 58 N -0.83 -0.03 0.67 -5.21 2.01 -0.95 -0.81 115.64 110.49 3kk1 s THR 58 Ca -0.06 0.11 -0.16 0.00 0.31 0.00 0.00 61.69 61.89 3kk1 s THR 58 Cb -0.01 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.22 3kk1 s THR 58 CO 0.06 0.04 1.15 -2.16 -0.69 0.00 0.00 174.62 173.02 3kk1 s PRO 59 N 0.83 2.61 0.03 4.92 0.04 -1.26 -4.28 135.00 137.90 3kk1 s PRO 59 Ca -0.06 1.57 0.04 0.00 0.04 0.00 0.00 61.00 62.58 3kk1 s PRO 59 Cb -0.08 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3kk1 s PRO 59 CO -0.05 -1.43 -0.11 0.14 0.04 0.00 0.00 177.00 175.60 3kk1 s VAL 60 N -2.12 0.86 0.00 -0.36 -7.23 -1.26 -1.66 120.40 108.63 3kk1 s VAL 60 Ca 0.71 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 60.02 3kk1 s VAL 60 Cb -0.24 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 35.90 3kk1 s VAL 60 CO 0.41 -0.05 0.00 2.22 -0.31 0.00 0.00 175.10 177.37 3kk1 n PHE 61 N 2.03 0.00 -3.54 2.82 -1.74 -0.76 -4.89 117.46 111.38 3kk1 n PHE 61 Ca -0.18 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.55 3kk1 n PHE 61 Cb 0.55 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.50 3kk1 n PHE 61 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3kk1 s ALA 62 N -1.72 -1.55 0.09 1.98 0.00 -1.26 -1.86 121.76 117.44 3kk1 s ALA 62 Ca 0.00 0.94 0.02 0.00 0.00 0.00 0.00 51.96 52.92 3kk1 s ALA 62 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3kk1 s ALA 62 CO 0.00 -0.45 -0.07 0.96 0.00 0.00 0.00 175.76 176.20 3kk1 s ILE 63 N -1.88 0.71 -0.45 0.00 -4.36 -0.71 -4.95 121.20 109.56 3kk1 s ILE 63 Ca -0.08 -1.70 0.03 0.00 -0.26 0.00 0.00 60.65 58.64 3kk1 s ILE 63 Cb -0.01 -1.39 0.12 0.00 1.25 0.00 0.00 42.46 42.43 3kk1 s ILE 63 CO 0.03 -0.71 0.19 -0.75 0.24 0.00 0.00 174.94 173.94 3kk1 s LYS 64 N -3.16 1.84 0.17 0.37 2.20 -1.26 -0.43 119.74 119.46 3kk1 s LYS 64 Ca 0.06 -2.25 -0.30 0.00 -0.36 0.00 0.00 55.97 53.12 3kk1 s LYS 64 Cb 0.00 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.91 3kk1 s LYS 64 CO -0.03 -1.04 1.08 0.15 -0.36 0.00 0.00 175.35 175.15 3kk1 s LYS 65 N 0.33 4.61 1.51 4.03 1.02 -1.24 -4.75 119.74 125.26 3kk1 s LYS 65 Ca 0.14 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.80 3kk1 s LYS 65 Cb -0.22 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 3kk1 s LYS 65 CO -0.04 0.10 0.00 1.63 -0.92 0.00 0.00 175.35 176.12 3kk1 n LYS 66 N 2.42 0.00 -2.26 1.68 4.76 -1.26 -3.63 118.16 119.87 3kk1 n LYS 66 Ca 0.03 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 3kk1 n LYS 66 Cb 0.47 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.63 3kk1 n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kk1 s ASP 67 N -4.00 6.84 0.14 4.39 1.11 -1.26 -4.98 116.67 118.92 3kk1 s ASP 67 Ca 0.00 1.93 -0.24 0.00 0.18 0.00 0.00 52.55 54.42 3kk1 s ASP 67 Cb 0.00 -2.54 0.07 0.00 1.07 0.00 0.00 42.92 41.52 3kk1 s ASP 67 CO 0.00 -0.81 0.69 -0.55 1.18 0.00 0.00 175.17 175.68 3kk1 s SER 68 N 2.43 -0.46 -0.02 0.27 0.15 -1.24 -4.99 113.70 109.84 3kk1 s SER 68 Ca 0.62 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 57.20 3kk1 s SER 68 Cb -0.27 0.57 0.08 0.00 -1.71 0.00 0.00 66.02 64.69 3kk1 s SER 68 CO 0.21 -0.95 1.05 0.35 1.20 0.00 0.00 173.24 175.10 3kk1 n THR 69 N -0.37 1.12 -4.10 6.45 -2.24 -1.26 -4.93 114.28 108.95 3kk1 n THR 69 Ca -0.13 -1.15 -0.35 0.00 -2.27 0.00 0.00 64.05 60.15 3kk1 n THR 69 Cb 0.63 0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 69.13 3kk1 n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3kk1 s LYS 70 N -1.23 3.47 0.22 -0.78 2.20 -1.26 -5.11 119.74 117.25 3kk1 s LYS 70 Ca 0.07 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.07 3kk1 s LYS 70 Cb 0.05 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 33.34 3kk1 s LYS 70 CO 0.02 -0.05 0.43 -1.58 -0.36 0.00 0.00 175.35 173.81 3kk1 s TRP 71 N 1.12 3.48 -0.15 4.03 0.52 -1.26 -3.61 118.94 123.06 3kk1 s TRP 71 Ca 0.02 0.44 0.01 0.00 0.02 0.00 0.00 56.10 56.59 3kk1 s TRP 71 Cb -0.15 -1.93 0.02 0.00 -1.15 0.00 0.00 33.47 30.26 3kk1 s TRP 71 CO -0.00 0.33 -0.17 0.50 0.02 0.00 0.00 176.95 177.62 3kk1 s ARG 72 N -3.33 2.63 0.42 4.98 3.00 0.42 -4.94 118.95 122.13 3kk1 s ARG 72 Ca 0.40 -0.69 -0.25 0.00 -1.00 0.00 0.00 55.73 54.18 3kk1 s ARG 72 Cb -0.11 -2.28 -0.08 0.00 0.00 0.00 0.00 34.95 32.48 3kk1 s ARG 72 CO 0.29 -0.17 1.29 0.21 0.00 0.00 0.00 175.30 176.92 3kk1 s LYS 73 N 1.25 3.89 -0.25 5.12 2.20 -1.26 -1.74 119.74 128.95 3kk1 s LYS 73 Ca 0.02 2.11 -0.03 0.00 -0.36 0.00 0.00 55.97 57.70 3kk1 s LYS 73 Cb -0.14 -2.68 0.08 0.00 -1.51 0.00 0.00 37.83 33.58 3kk1 s LYS 73 CO -0.09 -0.54 0.09 -1.17 -0.36 0.00 0.00 175.35 173.28 3kk1 s LEU 74 N -2.57 1.03 -0.11 5.43 1.98 -0.78 -4.91 118.68 118.75 3kk1 s LEU 74 Ca 0.59 -1.14 -0.20 0.00 -2.89 0.00 0.00 54.13 50.49 3kk1 s LEU 74 Cb -0.37 -0.50 -0.04 0.00 0.66 0.00 0.00 46.19 45.94 3kk1 s LEU 74 CO 0.47 -0.39 0.56 -0.69 -1.89 0.00 0.00 176.35 174.41 3kk1 s VAL 75 N 1.94 5.13 -0.73 1.68 1.01 -1.26 -1.82 120.40 126.36 3kk1 s VAL 75 Ca 0.06 1.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.91 3kk1 s VAL 75 Cb -0.17 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.37 3kk1 s VAL 75 CO -0.23 0.28 1.15 -0.62 0.00 0.00 0.00 175.10 175.69 3kk1 s ASP 76 N 0.74 6.20 0.00 3.32 -1.08 -0.67 -4.84 116.67 120.33 3kk1 s ASP 76 Ca 0.30 -0.78 0.20 0.00 -0.52 0.00 0.00 52.55 51.75 3kk1 s ASP 76 Cb -0.16 -2.50 0.35 0.00 -1.46 0.00 0.00 42.92 39.16 3kk1 s ASP 76 CO 0.13 -1.63 1.30 0.49 0.52 0.00 0.00 175.17 175.98 3kk1 n PHE 77 N 8.57 0.40 0.29 -5.34 3.72 -1.26 -4.22 117.46 119.61 3kk1 n PHE 77 Ca 0.02 -0.23 0.11 0.00 -0.05 0.00 0.00 57.45 57.30 3kk1 n PHE 77 Cb 0.48 -0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.52 3kk1 n PHE 77 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 3kk1 n ARG 78 N 1.27 0.16 0.13 -1.08 1.85 -1.26 0.05 116.66 117.77 3kk1 n ARG 78 Ca 0.16 0.51 -0.24 0.00 -1.00 0.00 0.00 57.85 57.29 3kk1 n ARG 78 Cb 0.55 -1.88 -0.16 0.00 -1.05 0.00 0.00 32.46 29.92 3kk1 n ARG 78 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 3kk1 h GLU 79 N 0.00 0.49 -0.18 2.89 4.57 -1.99 -2.11 114.58 118.26 3kk1 h GLU 79 Ca 0.00 -0.84 -0.11 0.00 -1.18 0.00 0.00 59.36 57.23 3kk1 h GLU 79 Cb 0.19 0.31 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3kk1 h GLU 79 CO 0.00 1.40 -0.38 1.25 -1.18 0.00 0.00 179.01 180.10 3kk1 h LEU 80 N 0.13 0.40 -0.20 1.64 5.85 -0.70 -2.69 115.31 119.75 3kk1 h LEU 80 Ca -0.27 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.20 3kk1 h LEU 80 Cb 2.15 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 3kk1 h LEU 80 CO 0.25 0.74 -0.21 0.78 -0.34 0.00 0.00 178.44 179.66 3kk1 h ASN 81 N 0.32 0.52 -0.37 1.25 2.35 -0.48 0.96 115.58 120.13 3kk1 h ASN 81 Ca 0.03 -0.49 0.11 0.00 -0.55 0.00 0.00 56.30 55.40 3kk1 h ASN 81 Cb 0.81 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 3kk1 h ASN 81 CO 0.07 0.90 0.41 0.50 -1.65 0.00 0.00 177.43 177.66 3kk1 h LYS 82 N 0.15 0.00 0.00 0.81 3.64 -1.29 -2.63 116.57 117.25 3kk1 h LYS 82 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3kk1 h LYS 82 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3kk1 h LYS 82 CO 0.05 0.00 -1.08 0.54 -2.27 0.00 0.00 179.45 176.69 3kk1 n ARG 83 N -3.70 1.53 -2.77 1.90 1.74 -0.77 -5.00 116.66 109.59 3kk1 n ARG 83 Ca 0.06 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.74 3kk1 n ARG 83 Cb 0.58 -1.25 -0.06 0.00 -1.02 0.00 0.00 32.46 30.71 3kk1 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kk1 s THR 84 N -2.62 4.24 0.30 0.55 2.01 0.26 -1.75 115.64 118.63 3kk1 s THR 84 Ca 0.01 1.62 -0.24 0.00 0.31 0.00 0.00 61.69 63.38 3kk1 s THR 84 Cb 0.10 -3.78 -0.16 0.00 0.01 0.00 0.00 72.50 68.67 3kk1 s THR 84 CO 0.60 -0.09 0.29 1.67 -0.69 0.00 0.00 174.62 176.41 3kk1 n GLN 85 N -0.07 0.00 -0.00 4.92 -0.06 0.60 -4.52 117.38 118.25 3kk1 n GLN 85 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 3kk1 n GLN 85 Cb 0.52 -1.00 0.00 0.00 -4.06 0.00 0.00 30.24 25.70 3kk1 n GLN 85 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 3kk1 n ASP 86 N 2.17 0.94 -0.05 1.69 5.75 -1.26 -4.16 116.55 121.63 3kk1 n ASP 86 Ca 0.14 -0.63 0.04 0.00 -0.01 0.00 0.00 54.79 54.34 3kk1 n ASP 86 Cb 0.33 -0.16 0.08 0.00 -1.03 0.00 0.00 41.12 40.34 3kk1 n ASP 86 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3kk1 n PHE 87 N 0.85 0.16 0.21 2.11 3.01 -1.26 -1.66 117.46 120.89 3kk1 n PHE 87 Ca 0.00 0.18 -0.12 0.00 1.01 0.00 0.00 57.45 58.53 3kk1 n PHE 87 Cb 0.16 -0.66 -0.06 0.00 -0.01 0.00 0.00 39.48 38.91 3kk1 n PHE 87 CO 0.00 0.00 0.00 2.35 1.01 0.00 0.00 176.76 180.12 3kk1 h TRP 88 N 0.00 -0.55 -0.33 1.38 7.01 -1.90 0.49 115.95 122.04 3kk1 h TRP 88 Ca 0.12 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.11 3kk1 h TRP 88 Cb 0.32 0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.56 3kk1 h TRP 88 CO -0.02 -0.25 0.00 0.39 -2.79 0.00 0.00 178.44 175.77 3kk1 n GLU 89 N -5.19 2.58 0.04 2.65 1.02 -0.67 -4.20 120.64 116.86 3kk1 n GLU 89 Ca -0.09 -1.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.52 3kk1 n GLU 89 Cb 0.28 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3kk1 n GLU 89 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3kk1 n VAL 90 N 0.44 0.38 -2.01 2.62 3.14 -0.80 -4.91 118.33 117.19 3kk1 n VAL 90 Ca 0.14 0.12 -0.39 0.00 -2.96 0.00 0.00 64.34 61.25 3kk1 n VAL 90 Cb 0.58 -1.19 0.03 0.00 -1.06 0.00 0.00 33.84 32.20 3kk1 n VAL 90 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kk1 n GLN 91 N -3.14 3.17 -3.69 1.45 1.13 0.16 -4.84 117.38 111.62 3kk1 n GLN 91 Ca 0.00 -3.63 -0.10 0.00 -1.94 0.00 0.00 57.00 51.33 3kk1 n GLN 91 Cb 0.18 -2.30 -0.11 0.00 0.11 0.00 0.00 30.24 28.12 3kk1 n GLN 91 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3kk1 s LEU 92 N -3.98 -0.21 -0.35 1.08 1.43 -1.26 -4.88 118.68 110.51 3kk1 s LEU 92 Ca 0.50 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 3kk1 s LEU 92 Cb 0.39 1.33 0.35 0.00 0.03 0.00 0.00 46.19 48.29 3kk1 s LEU 92 CO -0.36 -0.20 1.79 0.61 0.23 0.00 0.00 176.35 178.41 3kk1 n GLY 93 N 4.53 4.05 3.42 -3.19 0.00 -1.26 -4.94 105.19 107.80 3kk1 n GLY 93 Ca -0.20 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 3kk1 n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk1 s ILE 94 N -2.51 5.01 0.97 -0.61 1.01 -1.26 -5.06 121.20 118.75 3kk1 s ILE 94 Ca 0.38 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 3kk1 s ILE 94 Cb 0.31 -4.25 0.17 0.00 0.01 0.00 0.00 42.46 38.70 3kk1 s ILE 94 CO 0.03 -0.75 1.10 -2.84 0.00 0.00 0.00 174.94 172.49 3kk1 s PRO 95 N 2.25 0.65 -0.23 2.79 0.02 -1.26 -5.08 135.00 134.13 3kk1 s PRO 95 Ca 0.10 0.46 -0.06 0.00 0.02 0.00 0.00 61.00 61.53 3kk1 s PRO 95 Cb -0.22 -1.77 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 3kk1 s PRO 95 CO 0.09 -2.57 0.01 -1.58 -0.33 0.00 0.00 177.00 172.62 3kk1 s HIS 96 N -3.05 3.03 -0.78 6.54 2.46 -1.26 -5.03 115.29 117.19 3kk1 s HIS 96 Ca 0.65 -0.63 -0.24 0.00 0.47 0.00 0.00 55.06 55.30 3kk1 s HIS 96 Cb -0.17 -2.16 -0.17 0.00 -0.13 0.00 0.00 32.58 29.94 3kk1 s HIS 96 CO 0.56 -0.41 2.43 -2.30 -2.47 0.00 0.00 174.74 172.55 3kk1 n PRO 97 N 4.76 0.49 0.29 2.88 -0.02 -1.26 -4.77 135.00 137.35 3kk1 n PRO 97 Ca -0.17 -0.23 0.16 0.00 -2.02 0.00 0.00 63.50 61.24 3kk1 n PRO 97 Cb 0.51 -2.63 0.86 0.00 -0.02 0.00 0.00 33.50 32.22 3kk1 n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kk1 h ALA 98 N 14.51 1.20 0.00 3.55 0.00 -1.94 -2.68 119.26 133.91 3kk1 h ALA 98 Ca -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kk1 h ALA 98 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kk1 h ALA 98 CO 1.26 0.08 -0.33 0.78 0.00 0.00 0.00 179.25 181.04 3kk1 h GLY 99 N 0.74 0.00 1.48 0.00 0.00 -1.96 -3.31 103.07 100.02 3kk1 h GLY 99 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 3kk1 h GLY 99 CO 0.01 0.00 0.24 -2.00 0.00 0.00 0.00 176.54 174.78 3kk1 h LEU 100 N 0.00 0.22 -0.80 3.11 5.85 -1.80 -0.24 115.31 121.65 3kk1 h LEU 100 Ca -0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kk1 h LEU 100 Cb 1.05 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3kk1 h LEU 100 CO 0.01 0.15 0.00 0.07 -0.34 0.00 0.00 178.44 178.33 3kk1 h LYS 101 N 0.25 0.00 0.00 1.25 2.10 -1.77 -2.99 116.57 115.42 3kk1 h LYS 101 Ca 0.15 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.64 3kk1 h LYS 101 Cb 0.28 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.58 3kk1 h LYS 101 CO -0.03 0.00 -1.53 1.63 -2.00 0.00 0.00 179.45 177.52 3kk1 n LYS 102 N -2.71 0.63 -1.66 0.07 5.02 -0.13 -3.44 118.16 115.95 3kk1 n LYS 102 Ca 0.02 0.16 -0.45 0.00 -2.02 0.00 0.00 58.31 56.03 3kk1 n LYS 102 Cb 0.33 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 3kk1 n LYS 102 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kk1 n LYS 103 N -2.81 1.88 0.06 1.97 4.76 -1.05 -4.33 118.16 118.63 3kk1 n LYS 103 Ca -0.11 0.66 -0.11 0.00 -2.87 0.00 0.00 58.31 55.88 3kk1 n LYS 103 Cb 0.83 -2.25 -0.05 0.00 -1.84 0.00 0.00 35.03 31.73 3kk1 n LYS 103 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3kk1 h LYS 104 N 3.45 -0.37 -4.16 1.97 3.64 -1.79 -3.32 116.57 116.00 3kk1 h LYS 104 Ca -0.44 0.03 -0.46 0.00 -1.27 0.00 0.00 60.65 58.50 3kk1 h LYS 104 Cb 1.29 0.08 -0.35 0.00 -0.41 0.00 0.00 32.23 32.85 3kk1 h LYS 104 CO 0.70 -0.25 -0.79 -1.12 -2.27 0.00 0.00 179.45 175.73 3kk1 s SER 105 N -4.90 1.51 -0.10 4.20 0.01 -0.48 -4.17 113.70 109.77 3kk1 s SER 105 Ca -0.15 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 56.90 3kk1 s SER 105 Cb 0.09 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 3kk1 s SER 105 CO 0.66 -0.06 -0.06 -0.69 0.41 0.00 0.00 173.24 173.50 3kk1 s VAL 106 N 1.15 3.78 0.02 3.43 1.01 0.41 -1.05 120.40 129.15 3kk1 s VAL 106 Ca -0.07 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3kk1 s VAL 106 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3kk1 s VAL 106 CO -0.01 0.57 -0.15 -0.89 0.00 0.00 0.00 175.10 174.61 3kk1 s THR 107 N -0.42 2.99 -0.16 3.92 2.01 0.96 0.22 115.64 125.15 3kk1 s THR 107 Ca 0.06 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 3kk1 s THR 107 Cb -0.12 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 3kk1 s THR 107 CO 0.02 0.39 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.64 3kk1 s VAL 108 N -0.91 4.14 0.06 3.82 1.01 -1.26 -0.60 120.40 126.67 3kk1 s VAL 108 Ca 0.15 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.94 3kk1 s VAL 108 Cb -0.11 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3kk1 s VAL 108 CO 0.05 0.49 -0.22 -0.76 0.00 0.00 0.00 175.10 174.67 3kk1 s LEU 109 N 0.26 2.46 -1.13 3.92 1.02 0.94 -4.06 118.68 122.08 3kk1 s LEU 109 Ca -0.01 -0.53 -0.10 0.00 0.02 0.00 0.00 54.13 53.51 3kk1 s LEU 109 Cb -0.13 -1.42 0.26 0.00 0.02 0.00 0.00 46.19 44.92 3kk1 s LEU 109 CO 0.02 0.24 1.18 -0.67 0.02 0.00 0.00 176.35 177.14 3kk1 n ASP 110 N 1.43 5.51 -2.04 2.29 2.03 -1.26 -0.80 116.55 123.70 3kk1 n ASP 110 Ca -0.17 -3.04 -0.14 0.00 0.52 0.00 0.00 54.79 51.97 3kk1 n ASP 110 Cb 0.52 -1.41 -0.14 0.00 -0.72 0.00 0.00 41.12 39.38 3kk1 n ASP 110 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3kk1 n VAL 111 N 2.91 2.98 -0.03 5.18 0.24 -0.32 -4.40 118.33 124.90 3kk1 n VAL 111 Ca 0.26 -1.67 -0.15 0.00 -2.04 0.00 0.00 64.34 60.73 3kk1 n VAL 111 Cb 0.39 -1.89 -0.10 0.00 -1.47 0.00 0.00 33.84 30.78 3kk1 n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3kk1 h GLY 112 N 4.64 0.34 -0.20 7.63 0.00 -1.91 -3.29 103.07 110.27 3kk1 h GLY 112 Ca 0.21 -0.49 0.28 0.00 0.00 0.00 0.00 47.33 47.33 3kk1 h GLY 112 CO 0.33 0.43 0.67 -0.55 0.00 0.00 0.00 176.54 177.43 3kk1 h ASP 113 N -0.22 0.45 -0.14 0.19 3.32 -1.94 -0.41 116.42 117.66 3kk1 h ASP 113 Ca -0.02 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.16 3kk1 h ASP 113 Cb 0.98 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3kk1 h ASP 113 CO 0.06 0.07 0.20 0.00 -1.72 0.00 0.00 179.24 177.85 3kk1 h ALA 114 N 1.63 1.66 0.02 3.45 0.00 -1.83 -2.27 119.26 121.92 3kk1 h ALA 114 Ca 0.61 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.31 3kk1 h ALA 114 Cb 1.56 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3kk1 h ALA 114 CO -0.32 -0.28 -0.93 1.88 0.00 0.00 0.00 179.25 179.61 3kk1 h TYR 115 N 0.00 0.27 0.00 0.00 0.99 -1.27 -3.17 116.97 113.80 3kk1 h TYR 115 Ca 0.07 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.64 3kk1 h TYR 115 Cb 0.47 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.17 3kk1 h TYR 115 CO 0.00 1.00 0.00 1.19 -0.00 0.00 0.00 178.16 180.35 3kk1 n PHE 116 N -3.61 0.12 1.96 4.88 3.72 -0.85 -1.72 117.46 121.96 3kk1 n PHE 116 Ca -0.04 0.06 0.15 0.00 -0.05 0.00 0.00 57.45 57.58 3kk1 n PHE 116 Cb 0.84 -0.59 0.90 0.00 -0.94 0.00 0.00 39.48 39.69 3kk1 n PHE 116 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kk1 n SER 117 N -1.62 0.11 -4.17 4.37 3.41 -1.20 -4.71 113.62 109.81 3kk1 n SER 117 Ca 0.01 -1.06 -0.27 0.00 -0.26 0.00 0.00 58.87 57.29 3kk1 n SER 117 Cb 0.06 -0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.85 3kk1 n SER 117 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kk1 s VAL 118 N -2.00 1.55 0.59 -3.33 1.01 -0.70 -5.06 120.40 112.46 3kk1 s VAL 118 Ca 0.46 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 3kk1 s VAL 118 Cb 0.21 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3kk1 s VAL 118 CO 0.36 0.44 1.02 -2.16 0.00 0.00 0.00 175.10 174.76 3kk1 s PRO 119 N -0.10 3.71 -0.10 2.72 0.04 -1.26 -1.83 135.00 138.17 3kk1 s PRO 119 Ca -0.01 0.82 -0.02 0.00 0.04 0.00 0.00 61.00 61.82 3kk1 s PRO 119 Cb -0.11 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3kk1 s PRO 119 CO 0.02 -0.48 0.00 -1.17 0.04 0.00 0.00 177.00 175.41 3kk1 s LEU 120 N -4.83 3.58 -0.41 -3.56 1.98 0.49 -4.62 118.68 111.32 3kk1 s LEU 120 Ca 0.56 0.12 -0.43 0.00 -2.89 0.00 0.00 54.13 51.49 3kk1 s LEU 120 Cb -0.11 -1.83 -0.17 0.00 0.66 0.00 0.00 46.19 44.74 3kk1 s LEU 120 CO 0.47 0.35 1.81 -0.67 -1.89 0.00 0.00 176.35 176.41 3kk1 n ASP 121 N 2.36 1.63 -0.34 3.68 2.03 -1.26 -4.76 116.55 119.88 3kk1 n ASP 121 Ca -0.18 0.98 0.19 0.00 0.52 0.00 0.00 54.79 56.29 3kk1 n ASP 121 Cb 0.53 -1.01 0.40 0.00 -0.72 0.00 0.00 41.12 40.33 3kk1 n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3kk1 h GLU 122 N 7.26 0.52 0.00 -0.67 4.22 -1.95 0.38 114.58 124.34 3kk1 h GLU 122 Ca -0.37 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.04 3kk1 h GLU 122 Cb 1.36 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3kk1 h GLU 122 CO 1.00 0.34 0.00 -0.44 -2.18 0.00 0.00 179.01 177.73 3kk1 h ASP 123 N 0.53 0.00 0.27 1.04 3.45 -1.96 -2.86 116.42 116.89 3kk1 h ASP 123 Ca 0.66 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 58.03 3kk1 h ASP 123 Cb 1.31 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.06 3kk1 h ASP 123 CO -0.49 0.00 -1.82 0.33 -1.57 0.00 0.00 179.24 175.69 3kk1 n PHE 124 N -2.57 0.30 -0.30 4.55 7.35 0.13 -4.39 117.46 122.52 3kk1 n PHE 124 Ca 0.02 0.09 0.13 0.00 -0.76 0.00 0.00 57.45 56.93 3kk1 n PHE 124 Cb 0.28 -0.75 0.29 0.00 0.35 0.00 0.00 39.48 39.65 3kk1 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kk1 h ARG 125 N 0.00 0.14 -1.33 -4.13 2.47 -1.18 0.87 114.38 111.21 3kk1 h ARG 125 Ca -0.12 -0.01 0.41 0.00 -1.26 0.00 0.00 59.98 59.00 3kk1 h ARG 125 Cb 1.31 -0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 29.49 3kk1 h ARG 125 CO 0.01 0.09 0.89 0.87 0.56 0.00 0.00 179.97 182.39 3kk1 h LYS 126 N 0.14 0.12 -0.00 0.04 1.57 -1.77 0.15 116.57 116.82 3kk1 h LYS 126 Ca 0.56 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 3kk1 h LYS 126 Cb 1.14 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3kk1 h LYS 126 CO -0.72 0.08 -0.13 0.66 -0.57 0.00 0.00 179.45 178.77 3kk1 n TYR 127 N -4.53 0.00 -0.25 -1.35 4.01 0.30 -3.50 117.16 111.83 3kk1 n TYR 127 Ca 0.35 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.19 3kk1 n TYR 127 Cb 1.38 -0.21 0.28 0.00 -0.31 0.00 0.00 39.34 40.48 3kk1 n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3kk1 n THR 128 N -1.03 0.93 -1.67 -0.72 -2.24 0.04 -4.75 114.28 104.84 3kk1 n THR 128 Ca 0.13 -0.97 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 3kk1 n THR 128 Cb 0.29 0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3kk1 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kk1 n ALA 129 N 1.43 0.88 -2.35 6.98 0.00 -1.23 -4.34 120.51 121.89 3kk1 n ALA 129 Ca 0.22 0.34 -0.16 0.00 0.00 0.00 0.00 53.44 53.83 3kk1 n ALA 129 Cb 0.58 -2.19 -0.08 0.00 0.00 0.00 0.00 19.45 17.76 3kk1 n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3kk1 s PHE 130 N -1.13 1.46 -0.12 0.00 -0.71 -0.43 -2.24 117.98 114.81 3kk1 s PHE 130 Ca 0.58 -1.51 -0.03 0.00 -1.04 0.00 0.00 56.93 54.92 3kk1 s PHE 130 Cb -0.58 -0.57 0.05 0.00 -1.21 0.00 0.00 43.02 40.70 3kk1 s PHE 130 CO 0.61 -0.83 0.06 0.99 -1.34 0.00 0.00 175.22 174.70 3kk1 s THR 131 N -3.64 0.04 -0.29 -4.49 2.01 -1.26 -1.70 115.64 106.32 3kk1 s THR 131 Ca 0.39 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.12 3kk1 s THR 131 Cb 0.03 -0.49 0.01 0.00 0.01 0.00 0.00 72.50 72.06 3kk1 s THR 131 CO 0.22 -0.06 1.02 -0.63 -0.69 0.00 0.00 174.62 174.48 3kk1 s ILE 132 N 2.09 4.61 0.74 1.82 1.01 -0.17 -4.75 121.20 126.55 3kk1 s ILE 132 Ca 0.03 1.74 -0.11 0.00 0.00 0.00 0.00 60.65 62.32 3kk1 s ILE 132 Cb -0.14 -4.34 0.04 0.00 0.01 0.00 0.00 42.46 38.02 3kk1 s ILE 132 CO -0.06 -0.35 1.08 -2.16 0.00 0.00 0.00 174.94 173.44 3kk1 s PRO 133 N 3.41 2.55 0.30 2.79 0.04 -1.26 -1.92 135.00 140.90 3kk1 s PRO 133 Ca 0.43 0.97 0.10 0.00 0.04 0.00 0.00 61.00 62.54 3kk1 s PRO 133 Cb -0.13 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3kk1 s PRO 133 CO 0.12 -1.38 -0.03 -1.54 0.04 0.00 0.00 177.00 174.21 3kk1 s SER 134 N -3.67 4.25 0.17 6.66 1.04 -1.26 -4.95 113.70 115.94 3kk1 s SER 134 Ca 0.60 -0.84 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 3kk1 s SER 134 Cb -0.15 -0.63 -0.08 0.00 0.10 0.00 0.00 66.02 65.25 3kk1 s SER 134 CO 0.55 -0.08 1.29 -0.63 0.98 0.00 0.00 173.24 175.35 3kk1 s ILE 135 N -2.43 3.36 -1.82 -1.02 1.01 -1.26 -2.80 121.20 116.25 3kk1 s ILE 135 Ca 0.33 1.09 0.00 0.00 0.00 0.00 0.00 60.65 62.06 3kk1 s ILE 135 Cb -0.04 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3kk1 s ILE 135 CO 0.19 0.15 0.00 -3.20 0.00 0.00 0.00 174.94 172.08 3kk1 n ASN 136 N 2.91 -5.03 -3.84 3.58 5.15 -1.26 -2.43 115.26 114.34 3kk1 n ASN 136 Ca 0.07 0.31 -0.24 0.00 -0.60 0.00 0.00 54.58 54.11 3kk1 n ASN 136 Cb 0.43 -4.39 0.01 0.00 -0.53 0.00 0.00 39.78 35.30 3kk1 n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kk1 n ASN 137 N -1.41 -1.29 0.20 1.20 3.02 -1.12 -4.83 115.26 111.03 3kk1 n ASN 137 Ca -0.20 -0.90 0.08 0.00 -0.03 0.00 0.00 54.58 53.53 3kk1 n ASN 137 Cb 0.63 -3.60 0.32 0.00 -0.61 0.00 0.00 39.78 36.52 3kk1 n ASN 137 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3kk1 h GLU 138 N -1.86 0.00 -5.30 3.52 4.81 -1.72 -3.44 114.58 110.59 3kk1 h GLU 138 Ca -0.61 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.22 3kk1 h GLU 138 Cb 1.37 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.54 3kk1 h GLU 138 CO 0.61 0.30 -0.77 0.99 -0.73 0.00 0.00 179.01 179.41 3kk1 s THR 139 N -3.46 1.11 0.84 0.32 2.01 -1.26 -5.12 115.64 110.08 3kk1 s THR 139 Ca 0.02 -1.38 -0.13 0.00 0.31 0.00 0.00 61.69 60.51 3kk1 s THR 139 Cb 0.09 -1.14 0.09 0.00 0.01 0.00 0.00 72.50 71.56 3kk1 s THR 139 CO 0.67 -0.28 1.09 -0.81 -0.69 0.00 0.00 174.62 174.60 3kk1 n PRO 140 N 1.13 -0.01 -1.67 4.92 -0.04 -1.26 -4.52 135.00 133.55 3kk1 n PRO 140 Ca -0.20 0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 62.92 3kk1 n PRO 140 Cb 0.55 -2.34 0.02 0.00 -0.04 0.00 0.00 33.50 31.68 3kk1 n PRO 140 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kk1 n GLY 141 N 0.62 0.23 3.59 0.55 0.00 -1.26 -4.82 105.19 104.09 3kk1 n GLY 141 Ca 0.12 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 3kk1 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk1 s ILE 142 N -1.25 5.05 -0.10 -0.61 -1.09 -0.81 -4.90 121.20 117.50 3kk1 s ILE 142 Ca 0.63 0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 59.13 3kk1 s ILE 142 Cb -0.52 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 3kk1 s ILE 142 CO 0.56 0.33 -0.08 -0.13 -1.23 0.00 0.00 174.94 174.39 3kk1 s ARG 143 N 1.32 3.05 0.22 2.79 0.52 -1.26 -1.00 118.95 124.59 3kk1 s ARG 143 Ca 0.06 -0.58 0.09 0.00 -0.52 0.00 0.00 55.73 54.79 3kk1 s ARG 143 Cb -0.15 -2.65 -0.05 0.00 0.52 0.00 0.00 34.95 32.62 3kk1 s ARG 143 CO 0.06 0.49 -0.17 0.71 0.02 0.00 0.00 175.30 176.41 3kk1 s TYR 144 N -0.33 1.91 0.15 -0.53 2.02 -0.69 -0.28 117.35 119.61 3kk1 s TYR 144 Ca 0.04 -0.48 0.05 0.00 -0.37 0.00 0.00 57.07 56.31 3kk1 s TYR 144 Cb -0.13 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 3kk1 s TYR 144 CO 0.02 0.47 -0.11 1.14 -1.57 0.00 0.00 175.55 175.50 3kk1 s GLN 145 N -3.48 1.10 0.42 -0.62 -2.07 0.33 -1.31 119.66 114.01 3kk1 s GLN 145 Ca 0.24 -1.46 -0.13 0.00 -1.82 0.00 0.00 55.36 52.18 3kk1 s GLN 145 Cb -0.03 -0.71 -0.08 0.00 -1.09 0.00 0.00 33.01 31.11 3kk1 s GLN 145 CO 0.09 0.09 0.83 0.71 -1.32 0.00 0.00 175.29 175.69 3kk1 s TYR 146 N -3.22 3.44 -0.01 9.60 1.51 -1.26 -0.86 117.35 126.55 3kk1 s TYR 146 Ca 0.17 1.22 0.01 0.00 -1.01 0.00 0.00 57.07 57.46 3kk1 s TYR 146 Cb 0.02 -2.57 -0.01 0.00 -0.11 0.00 0.00 41.96 39.28 3kk1 s TYR 146 CO 0.02 -0.13 0.01 0.09 -1.11 0.00 0.00 175.55 174.43 3kk1 n ASN 147 N -1.13 4.78 -1.26 2.29 5.03 -0.41 -4.73 115.26 119.83 3kk1 n ASN 147 Ca 0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.49 3kk1 n ASN 147 Cb 0.54 0.74 0.00 0.00 -1.02 0.00 0.00 39.78 40.03 3kk1 n ASN 147 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3kk1 n VAL 148 N -1.83 0.00 -2.47 2.41 0.24 -1.17 -0.38 118.33 115.14 3kk1 n VAL 148 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 3kk1 n VAL 148 Cb 0.32 -0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 31.86 3kk1 n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kk1 s LEU 149 N 0.00 4.30 0.16 1.34 1.43 -0.76 -4.11 118.68 121.03 3kk1 s LEU 149 Ca 0.00 1.84 -0.30 0.00 -1.03 0.00 0.00 54.13 54.64 3kk1 s LEU 149 Cb 0.00 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.59 3kk1 s LEU 149 CO 0.00 -0.55 1.11 -2.84 0.23 0.00 0.00 176.35 174.30 3kk1 s PRO 150 N 1.99 4.56 0.49 1.29 0.02 -1.26 -4.32 135.00 137.77 3kk1 s PRO 150 Ca 0.56 1.72 -0.24 0.00 0.02 0.00 0.00 61.00 63.07 3kk1 s PRO 150 Cb -0.25 -3.29 -0.07 0.00 0.02 0.00 0.00 34.50 30.90 3kk1 s PRO 150 CO 0.23 0.02 1.31 1.04 -0.33 0.00 0.00 177.00 179.27 3kk1 n GLN 151 N 2.65 1.82 -0.97 5.54 6.02 -1.26 -2.81 117.38 128.37 3kk1 n GLN 151 Ca 0.04 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 3kk1 n GLN 151 Cb 0.46 -2.48 0.00 0.00 1.02 0.00 0.00 30.24 29.24 3kk1 n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kk1 n GLY 152 N 0.79 0.95 3.85 1.08 0.00 -1.26 -4.76 105.19 105.84 3kk1 n GLY 152 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3kk1 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kk1 s TRP 153 N -3.85 3.63 0.31 1.61 -0.00 -1.12 -4.57 118.94 114.94 3kk1 s TRP 153 Ca 0.00 0.91 -0.01 0.00 -0.00 0.00 0.00 56.10 57.00 3kk1 s TRP 153 Cb 0.00 -2.25 0.48 0.00 -0.00 0.00 0.00 33.47 31.71 3kk1 s TRP 153 CO 0.00 0.52 1.97 -0.22 -0.00 0.00 0.00 176.95 179.22 3kk1 h LYS 154 N 3.91 1.01 0.00 5.86 3.64 -1.92 -2.50 116.57 126.57 3kk1 h LYS 154 Ca -0.50 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 3kk1 h LYS 154 Cb 1.20 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3kk1 h LYS 154 CO 0.65 0.68 0.00 0.41 -2.27 0.00 0.00 179.45 178.92 3kk1 n GLY 155 N -1.38 -1.06 0.14 5.01 0.00 -1.26 -4.01 105.19 102.63 3kk1 n GLY 155 Ca 0.08 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 3kk1 n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kk1 h SER 156 N 0.00 0.53 0.45 1.61 0.02 -1.72 -1.32 113.55 113.12 3kk1 h SER 156 Ca 0.00 -0.80 -0.10 0.00 -0.84 0.00 0.00 61.79 60.05 3kk1 h SER 156 Cb 0.26 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3kk1 h SER 156 CO 0.00 1.27 -0.47 1.55 -1.14 0.00 0.00 176.83 178.04 3kk1 h PRO 157 N -0.15 0.03 0.28 3.45 0.13 -1.76 -2.68 132.00 131.30 3kk1 h PRO 157 Ca -0.09 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 3kk1 h PRO 157 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 3kk1 h PRO 157 CO 0.13 0.49 -0.13 0.00 -0.23 0.00 0.00 178.00 178.26 3kk1 h ALA 158 N 1.51 -0.37 -0.63 -0.56 0.00 -1.69 0.64 119.26 118.16 3kk1 h ALA 158 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3kk1 h ALA 158 Cb 0.84 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3kk1 h ALA 158 CO 0.06 -0.51 0.42 0.82 0.00 0.00 0.00 179.25 180.04 3kk1 h ILE 159 N -0.76 1.16 -0.02 0.00 1.08 -1.32 -2.27 117.51 115.38 3kk1 h ILE 159 Ca -0.04 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3kk1 h ILE 159 Cb 0.50 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3kk1 h ILE 159 CO 0.06 0.15 -0.20 0.33 -0.69 0.00 0.00 178.15 177.80 3kk1 n PHE 160 N -4.44 0.00 -0.32 1.37 7.35 -1.01 -4.46 117.46 115.95 3kk1 n PHE 160 Ca 0.06 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.67 3kk1 n PHE 160 Cb 0.05 -0.03 -0.08 0.00 0.35 0.00 0.00 39.48 39.78 3kk1 n PHE 160 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 3kk1 n GLN 161 N 0.27 -0.33 0.06 -4.13 -0.06 0.22 -0.61 117.38 112.80 3kk1 n GLN 161 Ca 0.13 1.38 -0.12 0.00 -2.00 0.00 0.00 57.00 56.39 3kk1 n GLN 161 Cb 0.46 -2.03 -0.06 0.00 -4.06 0.00 0.00 30.24 24.54 3kk1 n GLN 161 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3kk1 h SER 162 N 0.00 -0.12 -0.73 1.69 4.64 -1.79 0.17 113.55 117.41 3kk1 h SER 162 Ca 0.12 0.02 0.12 0.00 -0.47 0.00 0.00 61.79 61.57 3kk1 h SER 162 Cb 0.31 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.40 3kk1 h SER 162 CO -0.71 -0.07 0.49 0.28 -0.87 0.00 0.00 176.83 175.95 3kk1 h SER 163 N -0.09 0.49 -0.49 4.97 0.02 -1.78 -0.26 113.55 116.40 3kk1 h SER 163 Ca 0.01 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 3kk1 h SER 163 Cb 0.10 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3kk1 h SER 163 CO -0.03 0.28 -0.09 -0.03 -1.14 0.00 0.00 176.83 175.82 3kk1 h MET 164 N 0.53 0.93 -0.74 3.45 -1.53 0.13 -2.73 114.93 114.98 3kk1 h MET 164 Ca 0.35 -0.34 -0.01 0.00 -3.44 0.00 0.00 59.70 56.26 3kk1 h MET 164 Cb 0.63 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 31.58 3kk1 h MET 164 CO -0.12 1.00 0.44 1.15 0.14 0.00 0.00 176.91 179.52 3kk1 h THR 165 N 0.79 1.21 -0.38 -0.77 2.02 0.81 -1.08 112.91 115.51 3kk1 h THR 165 Ca 0.13 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.85 3kk1 h THR 165 Cb 0.64 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3kk1 h THR 165 CO 0.04 0.22 0.23 0.11 0.37 0.00 0.00 175.52 176.49 3kk1 h LYS 166 N 1.01 0.45 -0.29 6.66 1.57 -0.94 0.43 116.57 125.46 3kk1 h LYS 166 Ca 0.26 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.91 3kk1 h LYS 166 Cb -0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3kk1 h LYS 166 CO -0.05 0.30 -0.24 0.82 -0.57 0.00 0.00 179.45 179.70 3kk1 h ILE 167 N 0.46 1.30 -0.33 1.86 2.04 -1.27 -3.20 117.51 118.36 3kk1 h ILE 167 Ca 0.15 -1.39 -0.12 0.00 1.00 0.00 0.00 64.86 64.49 3kk1 h ILE 167 Cb -0.00 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3kk1 h ILE 167 CO -0.07 0.45 -0.28 -0.07 0.00 0.00 0.00 178.15 178.18 3kk1 h LEU 168 N 0.43 0.82 -0.80 1.44 3.38 -1.02 -3.36 115.31 116.20 3kk1 h LEU 168 Ca 0.05 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.65 3kk1 h LEU 168 Cb 0.80 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 3kk1 h LEU 168 CO 0.06 1.10 -0.44 1.21 0.09 0.00 0.00 178.44 180.46 3kk1 n GLU 169 N -4.22 -0.32 0.17 1.13 0.00 0.15 0.57 120.64 118.12 3kk1 n GLU 169 Ca -0.03 1.21 0.06 0.00 0.00 0.00 0.00 57.16 58.40 3kk1 n GLU 169 Cb 0.47 -1.78 0.55 0.00 0.00 0.00 0.00 31.44 30.68 3kk1 n GLU 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3kk1 h PRO 170 N 0.00 0.17 -0.07 5.31 0.11 -1.73 -1.88 132.00 133.90 3kk1 h PRO 170 Ca 0.16 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.07 3kk1 h PRO 170 Cb 0.36 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3kk1 h PRO 170 CO -0.76 0.15 -0.73 0.35 -0.21 0.00 0.00 178.00 176.80 3kk1 h PHE 171 N 0.17 0.52 -0.23 0.65 3.04 -0.07 -3.00 116.94 118.02 3kk1 h PHE 171 Ca 0.04 -0.23 -0.15 0.00 3.98 0.00 0.00 57.97 61.61 3kk1 h PHE 171 Cb 0.05 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 3kk1 h PHE 171 CO 0.00 0.98 -0.50 0.00 -2.02 0.00 0.00 178.31 176.78 3kk1 h ARG 172 N 0.26 0.62 -0.68 1.11 3.08 -0.66 -2.09 114.38 116.02 3kk1 h ARG 172 Ca -0.03 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.61 3kk1 h ARG 172 Cb 1.30 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 3kk1 h ARG 172 CO 0.12 0.97 0.22 -0.22 -1.07 0.00 0.00 179.97 179.99 3kk1 h LYS 173 N 0.49 1.04 0.00 0.04 3.64 -1.32 -2.70 116.57 117.75 3kk1 h LYS 173 Ca 0.02 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3kk1 h LYS 173 Cb 1.04 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3kk1 h LYS 173 CO 0.10 0.89 -0.51 0.37 -2.27 0.00 0.00 179.45 178.02 3kk1 h GLN 174 N 1.00 0.00 -2.94 1.90 4.15 -1.48 -3.39 115.11 114.36 3kk1 h GLN 174 Ca 0.22 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 59.03 3kk1 h GLN 174 Cb 0.28 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 27.57 3kk1 h GLN 174 CO -0.01 0.00 -0.75 -0.80 -1.93 0.00 0.00 178.83 175.34 3kk1 s ASN 175 N -5.47 3.55 0.20 -0.69 0.01 -0.79 -4.99 114.94 106.76 3kk1 s ASN 175 Ca 0.04 -2.73 0.09 0.00 -0.71 0.00 0.00 52.86 49.55 3kk1 s ASN 175 Cb 0.09 -1.01 0.09 0.00 0.41 0.00 0.00 41.25 40.82 3kk1 s ASN 175 CO 0.72 -0.25 1.45 1.55 -1.51 0.00 0.00 177.10 179.07 3kk1 h PRO 176 N 6.57 0.00 -0.00 -0.60 0.13 -1.71 -3.21 132.00 133.18 3kk1 h PRO 176 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3kk1 h PRO 176 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3kk1 h PRO 176 CO 0.48 0.80 -0.31 -0.25 -0.23 0.00 0.00 178.00 178.49 3kk1 n ASP 177 N -3.58 0.36 -4.67 1.44 8.00 -1.26 -4.70 116.55 112.13 3kk1 n ASP 177 Ca -0.01 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 3kk1 n ASP 177 Cb 0.77 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 3kk1 n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kk1 s ILE 178 N -2.95 4.83 -0.27 0.53 1.01 -1.21 -4.71 121.20 118.43 3kk1 s ILE 178 Ca 0.14 1.78 -0.09 0.00 0.00 0.00 0.00 60.65 62.48 3kk1 s ILE 178 Cb 0.18 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3kk1 s ILE 178 CO 0.63 -0.02 0.14 0.54 0.00 0.00 0.00 174.94 176.23 3kk1 s VAL 179 N 2.31 4.90 -0.26 2.92 0.11 -0.85 -4.98 120.40 124.56 3kk1 s VAL 179 Ca 0.41 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.44 3kk1 s VAL 179 Cb -0.17 -3.32 -0.00 0.00 -1.53 0.00 0.00 36.38 31.36 3kk1 s VAL 179 CO 0.12 0.29 0.03 -0.63 -3.33 0.00 0.00 175.10 171.58 3kk1 s ILE 180 N 1.68 3.73 0.02 7.04 1.01 -1.26 -1.32 121.20 132.10 3kk1 s ILE 180 Ca 0.07 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.21 3kk1 s ILE 180 Cb -0.16 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 3kk1 s ILE 180 CO 0.08 0.25 -0.17 -0.47 0.00 0.00 0.00 174.94 174.63 3kk1 s TYR 181 N 1.50 2.59 -0.14 3.97 5.04 0.29 -4.94 117.35 125.65 3kk1 s TYR 181 Ca 0.04 -0.24 0.01 0.00 -2.44 0.00 0.00 57.07 54.45 3kk1 s TYR 181 Cb -0.16 -1.50 -0.00 0.00 0.35 0.00 0.00 41.96 40.65 3kk1 s TYR 181 CO 0.00 0.23 -0.17 -1.14 -1.34 0.00 0.00 175.55 173.13 3kk1 s GLN 182 N -1.26 3.17 -0.16 4.97 0.74 -1.26 0.21 119.66 126.07 3kk1 s GLN 182 Ca 0.14 -0.78 -0.01 0.00 0.05 0.00 0.00 55.36 54.76 3kk1 s GLN 182 Cb -0.11 -2.55 0.05 0.00 1.10 0.00 0.00 33.01 31.50 3kk1 s GLN 182 CO 0.04 0.04 -0.01 -0.47 -0.55 0.00 0.00 175.29 174.34 3kk1 s TYR 183 N 0.73 1.35 0.00 1.67 5.04 0.53 -5.00 117.35 121.67 3kk1 s TYR 183 Ca -0.07 -0.90 0.00 0.00 -2.44 0.00 0.00 57.07 53.66 3kk1 s TYR 183 Cb -0.16 -1.15 0.00 0.00 0.35 0.00 0.00 41.96 41.00 3kk1 s TYR 183 CO 0.01 -0.58 0.00 -1.33 -1.34 0.00 0.00 175.55 172.31 3kk1 n MET 184 N 4.97 0.00 0.00 4.97 2.81 -1.26 0.27 117.12 128.88 3kk1 n MET 184 Ca -0.10 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.90 3kk1 n MET 184 Cb 0.48 0.00 0.64 0.00 -0.71 0.00 0.00 33.22 33.62 3kk1 n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kk1 n ASP 185 N 3.73 0.00 -4.64 7.83 10.43 -1.26 -4.75 116.55 127.88 3kk1 n ASP 185 Ca 0.00 -0.68 -0.35 0.00 2.57 0.00 0.00 54.79 56.34 3kk1 n ASP 185 Cb 0.00 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 42.86 3kk1 n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3kk1 s ASP 186 N -2.00 5.43 -0.25 -2.24 -0.00 0.14 -1.17 116.67 116.58 3kk1 s ASP 186 Ca 0.32 0.09 -0.07 0.00 -0.00 0.00 0.00 52.55 52.89 3kk1 s ASP 186 Cb 0.15 -1.82 -0.02 0.00 -0.00 0.00 0.00 42.92 41.23 3kk1 s ASP 186 CO 0.25 0.24 0.07 -0.22 -0.00 0.00 0.00 175.17 175.51 3kk1 s LEU 187 N -0.06 3.47 -0.23 1.23 2.96 0.02 -0.35 118.68 125.72 3kk1 s LEU 187 Ca 0.05 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.58 3kk1 s LEU 187 Cb -0.12 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 3kk1 s LEU 187 CO 0.01 -0.05 0.17 -0.31 -1.32 0.00 0.00 176.35 174.85 3kk1 s TYR 188 N 1.60 3.33 -0.24 5.38 1.51 0.57 -0.04 117.35 129.46 3kk1 s TYR 188 Ca 0.06 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 3kk1 s TYR 188 Cb -0.15 -2.27 0.07 0.00 -0.11 0.00 0.00 41.96 39.50 3kk1 s TYR 188 CO 0.03 0.09 -0.02 0.08 -1.11 0.00 0.00 175.55 174.63 3kk1 s VAL 189 N 0.98 1.35 0.08 0.71 1.01 0.23 0.10 120.40 124.87 3kk1 s VAL 189 Ca 0.08 -1.21 0.06 0.00 0.00 0.00 0.00 61.98 60.91 3kk1 s VAL 189 Cb -0.13 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3kk1 s VAL 189 CO 0.04 -0.22 -0.10 -0.83 0.00 0.00 0.00 175.10 173.99 3kk1 s GLY 190 N 1.46 1.77 0.23 4.51 0.00 -0.44 -0.03 107.32 114.81 3kk1 s GLY 190 Ca -0.02 -1.20 -0.14 0.00 0.00 0.00 0.00 44.72 43.36 3kk1 s GLY 190 CO -0.09 -1.16 0.47 -1.35 0.00 0.00 0.00 173.10 170.98 3kk1 s SER 191 N -2.01 -0.12 -0.30 1.64 1.04 -0.21 -2.00 113.70 111.75 3kk1 s SER 191 Ca 0.20 -0.80 0.11 0.00 0.48 0.00 0.00 55.95 55.93 3kk1 s SER 191 Cb -0.11 0.57 0.64 0.00 0.10 0.00 0.00 66.02 67.22 3kk1 s SER 191 CO 0.12 -1.10 1.65 0.47 0.98 0.00 0.00 173.24 175.36 3kk1 n ASP 192 N -0.35 3.97 -4.79 7.02 10.43 -1.26 -1.38 116.55 130.18 3kk1 n ASP 192 Ca -0.04 -3.34 -0.36 0.00 2.57 0.00 0.00 54.79 53.61 3kk1 n ASP 192 Cb 0.62 -0.68 -0.05 0.00 1.84 0.00 0.00 41.12 42.85 3kk1 n ASP 192 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kk1 s LEU 193 N -3.05 4.11 0.09 0.64 1.43 -1.26 -4.94 118.68 115.70 3kk1 s LEU 193 Ca 0.50 1.97 -0.36 0.00 -1.03 0.00 0.00 54.13 55.21 3kk1 s LEU 193 Cb 0.41 -4.24 -0.15 0.00 0.03 0.00 0.00 46.19 42.24 3kk1 s LEU 193 CO 0.09 -0.46 1.49 1.21 0.23 0.00 0.00 176.35 178.91 3kk1 n GLU 194 N -0.15 1.63 -1.67 1.70 2.13 -1.26 -4.57 120.64 118.45 3kk1 n GLU 194 Ca 0.05 0.59 -0.50 0.00 0.66 0.00 0.00 57.16 57.96 3kk1 n GLU 194 Cb 0.50 -2.30 -0.05 0.00 0.27 0.00 0.00 31.44 29.86 3kk1 n GLU 194 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3kk1 n ILE 195 N 3.16 0.52 0.00 6.31 5.41 -1.26 -0.70 119.36 132.80 3kk1 n ILE 195 Ca 0.18 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3kk1 n ILE 195 Cb 0.23 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 3kk1 n ILE 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kk1 n GLY 196 N 4.55 3.08 0.23 7.39 0.00 -1.26 -4.83 105.19 114.35 3kk1 n GLY 196 Ca 0.25 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 3kk1 n GLY 196 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kk1 h GLN 197 N 0.00 0.60 0.33 1.61 4.20 -1.25 -2.47 115.11 118.13 3kk1 h GLN 197 Ca 0.00 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 3kk1 h GLN 197 Cb 0.00 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3kk1 h GLN 197 CO 0.00 0.93 -0.32 1.25 -0.67 0.00 0.00 178.83 180.02 3kk1 h HIS 198 N 0.48 -0.86 -0.78 2.96 2.76 -1.73 0.15 115.15 118.14 3kk1 h HIS 198 Ca 0.03 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3kk1 h HIS 198 Cb 0.98 0.33 -0.04 0.00 1.55 0.00 0.00 27.41 30.23 3kk1 h HIS 198 CO 0.04 -0.46 0.50 0.00 -1.30 0.00 0.00 177.93 176.72 3kk1 h ARG 199 N -0.68 0.97 -0.66 5.26 3.08 -1.86 0.43 114.38 120.92 3kk1 h ARG 199 Ca -0.02 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.06 3kk1 h ARG 199 Cb 0.61 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 3kk1 h ARG 199 CO -0.05 0.64 0.30 1.15 -1.07 0.00 0.00 179.97 180.94 3kk1 h THR 200 N 1.00 0.83 -0.40 2.04 2.02 -1.11 0.43 112.91 117.71 3kk1 h THR 200 Ca 0.30 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 67.16 3kk1 h THR 200 Cb -0.04 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3kk1 h THR 200 CO -0.09 0.10 -0.29 0.50 0.37 0.00 0.00 175.52 176.10 3kk1 h LYS 201 N 0.52 0.88 -0.53 6.66 1.63 0.31 -2.82 116.57 123.23 3kk1 h LYS 201 Ca 0.33 -0.41 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 3kk1 h LYS 201 Cb 0.36 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 3kk1 h LYS 201 CO -0.27 1.05 0.21 0.82 -3.45 0.00 0.00 179.45 177.82 3kk1 h ILE 202 N 0.75 1.22 -0.02 2.00 1.08 0.13 -0.91 117.51 121.75 3kk1 h ILE 202 Ca 0.08 -0.66 0.01 0.00 -0.39 0.00 0.00 64.86 63.90 3kk1 h ILE 202 Cb 0.86 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 3kk1 h ILE 202 CO 0.08 0.25 0.03 -0.08 -0.69 0.00 0.00 178.15 177.74 3kk1 h GLU 203 N 0.71 0.00 0.05 2.37 4.57 -0.15 -0.93 114.58 121.20 3kk1 h GLU 203 Ca 0.18 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.10 3kk1 h GLU 203 Cb 0.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 3kk1 h GLU 203 CO -0.02 0.00 -1.31 1.49 -1.18 0.00 0.00 179.01 178.00 3kk1 h GLU 204 N 0.00 0.11 -0.26 1.92 4.81 -0.94 -1.68 114.58 118.54 3kk1 h GLU 204 Ca 0.01 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 58.87 3kk1 h GLU 204 Cb 0.07 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3kk1 h GLU 204 CO -0.00 0.97 -0.56 1.25 -0.73 0.00 0.00 179.01 179.94 3kk1 h LEU 205 N 0.03 0.89 -1.20 1.64 6.46 -0.37 -2.85 115.31 119.91 3kk1 h LEU 205 Ca -0.14 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 57.14 3kk1 h LEU 205 Cb 1.91 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.58 3kk1 h LEU 205 CO 0.14 1.27 0.00 -0.09 -0.62 0.00 0.00 178.44 179.14 3kk1 h ARG 206 N 0.61 0.00 0.06 1.25 2.43 -1.16 -0.59 114.38 116.97 3kk1 h ARG 206 Ca 0.01 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.94 3kk1 h ARG 206 Cb 1.16 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3kk1 h ARG 206 CO 0.12 0.00 -0.97 1.96 -1.51 0.00 0.00 179.97 179.57 3kk1 h GLN 207 N 0.00 0.55 0.00 0.20 1.08 -1.09 -2.49 115.11 113.36 3kk1 h GLN 207 Ca 0.00 -0.67 -0.05 0.00 -1.45 0.00 0.00 58.65 56.47 3kk1 h GLN 207 Cb 0.35 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 3kk1 h GLN 207 CO 0.00 1.28 -0.25 0.45 -0.95 0.00 0.00 178.83 179.36 3kk1 h HIS 208 N 0.13 0.00 0.00 2.96 3.86 -1.20 -3.06 115.15 117.84 3kk1 h HIS 208 Ca -0.14 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.96 3kk1 h HIS 208 Cb 1.67 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.12 3kk1 h HIS 208 CO 0.13 0.25 -0.53 -0.07 0.86 0.00 0.00 177.93 178.57 3kk1 h LEU 209 N 0.00 0.00 -0.49 2.43 3.38 -1.08 -2.54 115.31 117.01 3kk1 h LEU 209 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kk1 h LEU 209 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3kk1 h LEU 209 CO 0.03 0.50 0.00 0.18 0.09 0.00 0.00 178.44 179.25 3kk1 n LEU 210 N -3.21 0.64 0.21 1.67 4.77 -0.94 -2.92 117.00 117.22 3kk1 n LEU 210 Ca 0.02 0.63 0.10 0.00 -0.03 0.00 0.00 56.01 56.73 3kk1 n LEU 210 Cb 0.74 -0.51 0.31 0.00 -2.33 0.00 0.00 43.42 41.62 3kk1 n LEU 210 CO 0.41 -0.45 0.76 0.03 -1.33 0.00 0.00 177.39 176.81 3kk1 h ARG 211 N 0.00 0.00 0.00 3.23 -0.00 -1.45 -3.25 114.38 112.91 3kk1 h ARG 211 Ca 0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.98 59.16 3kk1 h ARG 211 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.35 3kk1 h ARG 211 CO 0.00 0.18 -2.21 0.91 0.00 0.00 0.00 179.97 178.84 3kk1 n TRP 212 N -3.21 0.00 0.00 3.04 8.01 -1.23 -5.13 117.44 118.92 3kk1 n TRP 212 Ca 0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 3kk1 n TRP 212 Cb 0.51 -0.84 0.00 0.00 -2.01 0.00 0.00 31.31 28.97 3kk1 n TRP 212 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kk1 n GLY 213 N 2.26 0.04 2.23 6.99 0.00 -1.15 -5.18 105.19 110.39 3kk1 n GLY 213 Ca -0.34 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.64 3kk1 n GLY 213 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kk1 n LEU 214 N -0.85 0.20 0.00 0.99 0.00 -1.26 -4.66 117.00 111.42 3kk1 n LEU 214 Ca 0.00 -4.72 0.00 0.00 0.00 0.00 0.00 56.01 51.29 3kk1 n LEU 214 Cb 0.00 0.69 0.00 0.00 0.00 0.00 0.00 43.42 44.11 3kk1 n LEU 214 CO 0.00 2.15 0.00 1.15 0.00 0.00 0.00 177.39 180.69 3kk1 n MET 230 N 0.99 0.00 0.00 1.96 3.85 -1.26 -4.96 117.12 117.70 3kk1 n MET 230 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.91 3kk1 n MET 230 Cb 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 33.22 32.76 3kk1 n MET 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kk1 n GLY 231 N -1.39 0.54 0.00 3.17 0.00 -1.26 -4.85 105.19 101.40 3kk1 n GLY 231 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3kk1 n GLY 231 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kk1 n TYR 232 N 2.55 0.00 -3.40 1.61 4.01 -1.26 -4.68 117.16 115.99 3kk1 n TYR 232 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 3kk1 n TYR 232 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 3kk1 n TYR 232 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3kk1 s GLU 233 N 0.00 0.46 0.00 -0.72 2.12 -1.26 -4.74 118.70 114.56 3kk1 s GLU 233 Ca 0.00 0.97 -0.18 0.00 0.36 0.00 0.00 54.97 56.12 3kk1 s GLU 233 Cb 0.00 0.29 -0.06 0.00 0.26 0.00 0.00 34.13 34.62 3kk1 s GLU 233 CO 0.00 -0.47 0.51 -0.51 -0.54 0.00 0.00 175.26 174.25 3kk1 s LEU 234 N 2.73 4.45 -0.63 2.70 1.02 0.13 -4.94 118.68 124.14 3kk1 s LEU 234 Ca 0.09 1.07 0.05 0.00 0.02 0.00 0.00 54.13 55.36 3kk1 s LEU 234 Cb -0.14 -2.77 0.18 0.00 0.02 0.00 0.00 46.19 43.48 3kk1 s LEU 234 CO -0.17 0.21 0.48 1.41 0.02 0.00 0.00 176.35 178.29 3kk1 n HIS 235 N 2.30 2.26 -0.25 0.29 8.25 -1.26 0.15 115.22 126.96 3kk1 n HIS 235 Ca -0.10 -4.06 0.07 0.00 -0.26 0.00 0.00 57.72 53.37 3kk1 n HIS 235 Cb 0.51 -0.41 0.31 0.00 1.12 0.00 0.00 29.99 31.52 3kk1 n HIS 235 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3kk1 h PRO 236 N 5.31 0.83 -0.46 -0.41 0.11 -1.72 -2.40 132.00 133.25 3kk1 h PRO 236 Ca 0.18 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kk1 h PRO 236 Cb 0.78 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3kk1 h PRO 236 CO 0.64 0.55 0.00 -3.47 -0.21 0.00 0.00 178.00 175.51 3kk1 n ASP 237 N -4.51 0.46 -0.03 -2.05 -0.08 -1.22 -1.68 116.55 107.44 3kk1 n ASP 237 Ca 0.14 -1.98 0.03 0.00 -1.51 0.00 0.00 54.79 51.46 3kk1 n ASP 237 Cb 0.28 -0.23 -0.02 0.00 2.34 0.00 0.00 41.12 43.48 3kk1 n ASP 237 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3kk1 n LYS 238 N -0.26 4.52 -0.88 -0.67 5.02 -0.90 -4.99 118.16 120.00 3kk1 n LYS 238 Ca 0.00 -0.11 -0.33 0.00 -2.02 0.00 0.00 58.31 55.85 3kk1 n LYS 238 Cb 0.12 -0.80 0.14 0.00 -0.02 0.00 0.00 35.03 34.46 3kk1 n LYS 238 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3kk1 n TRP 239 N -0.94 0.19 -3.79 2.13 8.01 -0.68 -5.03 117.44 117.34 3kk1 n TRP 239 Ca 0.01 0.35 -0.06 0.00 -1.31 0.00 0.00 57.50 56.50 3kk1 n TRP 239 Cb 0.09 -1.96 -0.02 0.00 -2.01 0.00 0.00 31.31 27.41 3kk1 n TRP 239 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3kk1 s THR 240 N -2.37 0.00 0.04 -0.99 -1.32 -1.26 -5.10 115.64 104.64 3kk1 s THR 240 Ca 0.66 -0.80 -0.04 0.00 -1.21 0.00 0.00 61.69 60.30 3kk1 s THR 240 Cb -0.25 -1.93 -0.05 0.00 -1.51 0.00 0.00 72.50 68.77 3kk1 s THR 240 CO 0.59 0.00 0.25 0.68 -2.21 0.00 0.00 174.62 173.93 3kk1 s VAL 241 N -3.65 5.34 -0.58 5.08 -7.23 -1.26 -4.77 120.40 113.32 3kk1 s VAL 241 Ca 0.11 -0.07 -0.14 0.00 -1.81 0.00 0.00 61.98 60.07 3kk1 s VAL 241 Cb -0.04 -3.58 0.15 0.00 0.56 0.00 0.00 36.38 33.46 3kk1 s VAL 241 CO 0.04 0.25 0.51 -1.58 -0.31 0.00 0.00 175.10 174.01 3kk1 s GLN 242 N -2.12 2.97 0.57 4.82 2.00 -0.21 -4.96 119.66 122.73 3kk1 s GLN 242 Ca 0.31 -1.89 -0.18 0.00 -2.00 0.00 0.00 55.36 51.60 3kk1 s GLN 242 Cb -0.13 -4.22 -0.04 0.00 0.80 0.00 0.00 33.01 29.41 3kk1 s GLN 242 CO 0.21 -1.29 1.11 -1.25 -0.50 0.00 0.00 175.29 173.57 3kk1 s PRO 243 N 1.23 3.26 0.49 1.67 0.04 -1.26 -4.50 135.00 135.92 3kk1 s PRO 243 Ca 0.07 1.50 -0.23 0.00 0.04 0.00 0.00 61.00 62.38 3kk1 s PRO 243 Cb -0.25 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 3kk1 s PRO 243 CO -0.00 -0.90 1.28 0.42 0.04 0.00 0.00 177.00 177.84 3kk1 s ILE 244 N -1.99 2.54 -0.06 0.56 1.01 -1.26 -5.03 121.20 116.97 3kk1 s ILE 244 Ca 0.70 0.42 -0.11 0.00 0.00 0.00 0.00 60.65 61.66 3kk1 s ILE 244 Cb -0.22 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.06 3kk1 s ILE 244 CO 0.31 0.01 0.26 0.54 0.00 0.00 0.00 174.94 176.06 3kk1 s VAL 245 N -1.39 0.03 -0.01 2.92 0.11 -1.26 -4.84 120.40 115.96 3kk1 s VAL 245 Ca 0.66 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 59.46 3kk1 s VAL 245 Cb -0.36 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 3kk1 s VAL 245 CO 0.43 -0.13 0.13 -0.76 -3.33 0.00 0.00 175.10 171.44 3kk1 s LEU 246 N -0.49 4.11 0.44 2.54 1.43 -1.26 -5.02 118.68 120.43 3kk1 s LEU 246 Ca -0.06 0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 3kk1 s LEU 246 Cb -0.04 -2.43 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 3kk1 s LEU 246 CO 0.02 0.27 1.19 -2.16 0.23 0.00 0.00 176.35 175.89 3kk1 s PRO 247 N -1.84 3.83 -0.23 1.29 0.04 -1.26 -5.03 135.00 131.81 3kk1 s PRO 247 Ca 0.25 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 3kk1 s PRO 247 Cb -0.12 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.91 3kk1 s PRO 247 CO 0.16 -0.51 -0.05 -1.83 0.04 0.00 0.00 177.00 174.81 3kk1 s GLU 248 N -2.54 3.17 0.12 4.56 1.03 -1.26 -5.11 118.70 118.67 3kk1 s GLU 248 Ca 0.61 -0.76 0.08 0.00 0.03 0.00 0.00 54.97 54.94 3kk1 s GLU 248 Cb -0.31 -2.99 -0.04 0.00 -0.80 0.00 0.00 34.13 30.00 3kk1 s GLU 248 CO 0.38 -0.27 -0.21 0.15 -1.33 0.00 0.00 175.26 173.98 3kk1 s LYS 249 N 1.42 1.18 0.11 -4.83 1.02 -1.26 -5.03 119.74 112.34 3kk1 s LYS 249 Ca 0.04 -1.23 0.17 0.00 0.02 0.00 0.00 55.97 54.97 3kk1 s LYS 249 Cb -0.15 -1.41 -0.09 0.00 -0.52 0.00 0.00 37.83 35.65 3kk1 s LYS 249 CO -0.04 0.32 0.94 -0.44 -0.92 0.00 0.00 175.35 175.21 3kk1 h ASP 250 N 3.88 0.00 -4.76 2.83 3.32 -2.04 -3.45 116.42 116.21 3kk1 h ASP 250 Ca -0.46 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.33 3kk1 h ASP 250 Cb 1.19 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.53 3kk1 h ASP 250 CO 0.42 0.53 -0.73 -0.94 -1.72 0.00 0.00 179.24 176.80 3kk1 s SER 251 N -5.87 0.87 0.05 6.45 1.04 -1.26 -5.06 113.70 109.93 3kk1 s SER 251 Ca -0.02 -0.60 0.09 0.00 0.48 0.00 0.00 55.95 55.90 3kk1 s SER 251 Cb 0.09 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 3kk1 s SER 251 CO 0.80 -0.24 -0.25 0.26 0.98 0.00 0.00 173.24 174.79 3kk1 s TRP 252 N -1.64 2.23 0.31 5.02 0.52 -1.26 -5.06 118.94 119.04 3kk1 s TRP 252 Ca -0.08 -0.40 0.07 0.00 0.02 0.00 0.00 56.10 55.71 3kk1 s TRP 252 Cb -0.08 -1.33 -0.03 0.00 -1.15 0.00 0.00 33.47 30.88 3kk1 s TRP 252 CO -0.00 0.13 0.27 0.95 0.02 0.00 0.00 176.95 178.31 3kk1 s THR 253 N -0.81 3.90 0.30 2.01 -4.23 -1.26 -1.08 115.64 114.47 3kk1 s THR 253 Ca 0.11 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.32 3kk1 s THR 253 Cb -0.10 -3.28 0.30 0.00 1.34 0.00 0.00 72.50 70.76 3kk1 s THR 253 CO 0.02 -0.24 1.71 0.58 -0.54 0.00 0.00 174.62 176.16 3kk1 h VAL 254 N 1.32 0.51 -0.04 2.29 2.07 -0.92 0.12 116.25 121.58 3kk1 h VAL 254 Ca -0.46 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3kk1 h VAL 254 Cb 1.25 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3kk1 h VAL 254 CO 0.59 0.09 0.02 -1.13 0.02 0.00 0.00 177.57 177.15 3kk1 h ASN 255 N 0.49 0.06 -0.81 0.57 -0.73 -1.55 0.18 115.58 113.78 3kk1 h ASN 255 Ca 0.60 -0.16 0.11 0.00 1.87 0.00 0.00 56.30 58.71 3kk1 h ASN 255 Cb 1.14 -0.01 -0.08 0.00 0.27 0.00 0.00 38.32 39.63 3kk1 h ASN 255 CO -0.50 0.20 0.44 0.44 -0.37 0.00 0.00 177.43 177.64 3kk1 h ASP 256 N -0.09 0.60 0.62 1.15 3.45 -1.14 -1.24 116.42 119.75 3kk1 h ASP 256 Ca 0.01 0.06 -0.20 0.00 0.43 0.00 0.00 57.03 57.33 3kk1 h ASP 256 Cb 0.16 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 3kk1 h ASP 256 CO -0.00 0.32 -0.90 0.40 -1.57 0.00 0.00 179.24 177.49 3kk1 h ILE 257 N 0.71 1.51 -0.69 0.35 2.04 -0.79 -2.28 117.51 118.36 3kk1 h ILE 257 Ca 0.40 -2.69 -0.07 0.00 1.00 0.00 0.00 64.86 63.50 3kk1 h ILE 257 Cb 0.44 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 3kk1 h ILE 257 CO -0.28 0.78 0.16 1.56 0.00 0.00 0.00 178.15 180.37 3kk1 h GLN 258 N 0.10 1.12 -0.16 2.37 4.20 -0.17 0.10 115.11 122.66 3kk1 h GLN 258 Ca -0.05 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 3kk1 h GLN 258 Cb 1.55 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.18 3kk1 h GLN 258 CO 0.14 1.00 0.05 0.87 -0.67 0.00 0.00 178.83 180.21 3kk1 h LYS 259 N 1.05 0.25 -0.38 1.46 1.57 -1.24 -2.72 116.57 116.56 3kk1 h LYS 259 Ca 0.22 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3kk1 h LYS 259 Cb 0.39 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3kk1 h LYS 259 CO 0.00 0.38 0.16 1.25 -0.57 0.00 0.00 179.45 180.68 3kk1 h LEU 260 N 0.08 0.21 -0.83 2.94 5.85 -1.06 0.03 115.31 122.53 3kk1 h LEU 260 Ca 0.05 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3kk1 h LEU 260 Cb 0.23 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3kk1 h LEU 260 CO -0.00 0.16 0.48 0.58 -0.34 0.00 0.00 178.44 179.32 3kk1 h VAL 261 N 0.34 1.24 -0.39 1.05 2.07 -1.03 -0.37 116.25 119.16 3kk1 h VAL 261 Ca 0.17 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3kk1 h VAL 261 Cb 0.12 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3kk1 h VAL 261 CO -0.15 0.26 0.14 1.23 0.02 0.00 0.00 177.57 179.07 3kk1 h GLY 262 N 1.15 0.64 0.95 2.17 0.00 -1.00 0.24 103.07 107.21 3kk1 h GLY 262 Ca 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3kk1 h GLY 262 CO -0.05 0.34 -0.16 1.70 0.00 0.00 0.00 176.54 178.37 3kk1 h LYS 263 N 0.49 -0.41 -0.47 4.80 3.64 -0.80 -2.15 116.57 121.66 3kk1 h LYS 263 Ca 0.13 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3kk1 h LYS 263 Cb 0.22 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3kk1 h LYS 263 CO -0.01 -0.27 0.27 -0.07 -2.27 0.00 0.00 179.45 177.10 3kk1 h LEU 264 N -0.42 0.42 -0.85 5.20 3.38 -0.92 -0.19 115.31 121.93 3kk1 h LEU 264 Ca -0.03 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3kk1 h LEU 264 Cb 0.34 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3kk1 h LEU 264 CO 0.04 0.30 0.51 -1.13 0.09 0.00 0.00 178.44 178.25 3kk1 h ASN 265 N 0.54 0.77 -0.29 -0.43 -1.24 -0.32 0.38 115.58 114.98 3kk1 h ASN 265 Ca 0.19 0.03 -0.12 0.00 0.71 0.00 0.00 56.30 57.11 3kk1 h ASN 265 Cb 0.04 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 38.96 3kk1 h ASN 265 CO -0.10 0.46 -0.29 -0.25 -1.29 0.00 0.00 177.43 175.96 3kk1 h TRP 266 N 0.89 0.85 0.00 0.67 7.01 -1.10 -3.07 115.95 121.20 3kk1 h TRP 266 Ca 0.39 -0.26 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 3kk1 h TRP 266 Cb 0.27 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.15 3kk1 h TRP 266 CO -0.04 1.01 -0.04 0.00 -2.79 0.00 0.00 178.44 176.57 3kk1 h ALA 267 N 0.70 1.08 0.00 2.65 0.00 0.97 0.09 119.26 124.76 3kk1 h ALA 267 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kk1 h ALA 267 Cb 0.86 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kk1 h ALA 267 CO 0.07 0.05 -0.01 0.66 0.00 0.00 0.00 179.25 180.02 3kk1 h SER 268 N 0.00 0.00 0.73 0.00 4.64 -0.26 0.28 113.55 118.94 3kk1 h SER 268 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3kk1 h SER 268 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3kk1 h SER 268 CO 0.01 0.01 -0.13 1.56 -0.87 0.00 0.00 176.83 177.40 3kk1 h GLN 269 N 0.00 0.00 0.00 4.77 4.20 -1.08 -3.12 115.11 119.87 3kk1 h GLN 269 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3kk1 h GLN 269 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3kk1 h GLN 269 CO 0.00 0.13 -1.01 -0.89 -0.67 0.00 0.00 178.83 176.39 3kk1 n ILE 270 N -3.38 1.47 -3.51 2.54 5.41 -0.10 -4.81 119.36 116.99 3kk1 n ILE 270 Ca -0.01 0.09 -0.42 0.00 1.00 0.00 0.00 62.75 63.41 3kk1 n ILE 270 Cb 0.33 -2.27 -0.09 0.00 -0.71 0.00 0.00 39.64 36.90 3kk1 n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3kk1 s TYR 271 N -2.52 3.32 -1.64 1.39 1.51 -0.15 -4.92 117.35 114.34 3kk1 s TYR 271 Ca -0.24 -1.40 0.12 0.00 -1.01 0.00 0.00 57.07 54.53 3kk1 s TYR 271 Cb 0.05 -3.19 0.63 0.00 -0.11 0.00 0.00 41.96 39.33 3kk1 s TYR 271 CO 0.37 -0.88 1.22 -2.30 -1.11 0.00 0.00 175.55 172.86 3kk1 n PRO 272 N 5.03 0.24 0.23 -1.71 -0.02 -1.18 -2.05 135.00 135.54 3kk1 n PRO 272 Ca -0.11 0.11 0.14 0.00 -2.02 0.00 0.00 63.50 61.63 3kk1 n PRO 272 Cb 0.42 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 32.83 3kk1 n PRO 272 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3kk1 h GLY 273 N 1.87 0.00 -4.86 -1.23 0.00 -1.93 -3.45 103.07 93.48 3kk1 h GLY 273 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3kk1 h GLY 273 CO 0.00 0.00 0.82 -0.42 0.00 0.00 0.00 176.54 176.94 3kk1 s ILE 274 N -3.40 3.80 0.10 2.60 1.01 -0.87 -4.94 121.20 119.50 3kk1 s ILE 274 Ca 0.05 1.17 0.10 0.00 0.00 0.00 0.00 60.65 61.97 3kk1 s ILE 274 Cb 0.08 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3kk1 s ILE 274 CO 0.59 -0.01 -0.26 -1.59 0.00 0.00 0.00 174.94 173.67 3kk1 s LYS 275 N 2.43 1.58 -0.00 2.79 -2.85 -1.26 -4.80 119.74 117.62 3kk1 s LYS 275 Ca 0.63 -1.25 0.01 0.00 -1.00 0.00 0.00 55.97 54.35 3kk1 s LYS 275 Cb -0.30 -1.94 0.01 0.00 -2.06 0.00 0.00 37.83 33.53 3kk1 s LYS 275 CO 0.26 0.48 0.74 1.55 0.10 0.00 0.00 175.35 178.47 3kk1 n VAL 276 N 1.25 0.45 -0.02 1.79 3.14 -1.26 -4.89 118.33 118.79 3kk1 n VAL 276 Ca -0.17 -0.46 -0.13 0.00 -2.96 0.00 0.00 64.34 60.61 3kk1 n VAL 276 Cb 0.53 0.75 -0.09 0.00 -1.06 0.00 0.00 33.84 33.96 3kk1 n VAL 276 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 3kk1 h ARG 277 N 0.00 0.08 -0.16 1.45 2.47 -1.97 0.52 114.38 116.77 3kk1 h ARG 277 Ca 0.00 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.59 3kk1 h ARG 277 Cb 0.82 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 3kk1 h ARG 277 CO 0.00 0.53 -0.30 1.96 0.56 0.00 0.00 179.97 182.71 3kk1 h GLN 278 N -0.36 0.31 -0.28 0.04 1.08 -1.96 -2.28 115.11 111.67 3kk1 h GLN 278 Ca 0.01 -0.12 -0.18 0.00 -1.45 0.00 0.00 58.65 56.90 3kk1 h GLN 278 Cb 0.51 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3kk1 h GLN 278 CO 0.01 0.59 -0.55 -0.07 -0.95 0.00 0.00 178.83 177.86 3kk1 h LEU 279 N 0.28 0.94 -0.33 1.46 3.38 -1.88 -3.13 115.31 116.03 3kk1 h LEU 279 Ca 0.04 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kk1 h LEU 279 Cb 0.68 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3kk1 h LEU 279 CO 0.05 1.30 0.00 -0.24 0.09 0.00 0.00 178.44 179.64 3kk1 n SER 280 N -4.00 0.23 -0.41 -0.43 2.88 0.17 -2.06 113.62 110.00 3kk1 n SER 280 Ca -0.04 0.57 0.08 0.00 -1.33 0.00 0.00 58.87 58.15 3kk1 n SER 280 Cb 0.63 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 3kk1 n SER 280 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3kk1 n LYS 281 N -1.77 1.60 0.23 -1.46 2.85 -0.97 -3.46 118.16 115.18 3kk1 n LYS 281 Ca 0.02 -0.90 0.09 0.00 -1.05 0.00 0.00 58.31 56.47 3kk1 n LYS 281 Cb 0.14 -1.31 0.55 0.00 -0.65 0.00 0.00 35.03 33.77 3kk1 n LYS 281 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3kk1 h LEU 282 N 2.03 0.00 -7.24 -5.58 3.38 -1.45 -3.28 115.31 103.17 3kk1 h LEU 282 Ca 0.00 0.00 -0.79 0.00 0.09 0.00 0.00 57.88 57.18 3kk1 h LEU 282 Cb 0.59 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.05 3kk1 h LEU 282 CO 0.00 0.22 0.53 0.18 0.09 0.00 0.00 178.44 179.46 3kk1 n LEU 283 N -3.65 5.78 -4.36 1.67 4.77 -1.22 -4.97 117.00 115.02 3kk1 n LEU 283 Ca -0.01 -5.13 -0.32 0.00 -0.03 0.00 0.00 56.01 50.51 3kk1 n LEU 283 Cb 0.35 -1.35 -0.15 0.00 -2.33 0.00 0.00 43.42 39.94 3kk1 n LEU 283 CO 0.33 1.53 -0.49 -0.13 -1.33 0.00 0.00 177.39 177.30 3kk1 s ARG 284 N -1.96 2.88 0.00 3.23 1.81 -1.24 -4.99 118.95 118.68 3kk1 s ARG 284 Ca 0.31 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 3kk1 s ARG 284 Cb -0.03 -2.40 0.00 0.00 -0.45 0.00 0.00 34.95 32.07 3kk1 s ARG 284 CO -0.00 0.37 0.00 0.41 -0.68 0.00 0.00 175.30 175.40 3kk1 n GLY 285 N 3.02 -0.03 2.33 -3.53 0.00 -1.26 -4.85 105.19 100.85 3kk1 n GLY 285 Ca -0.18 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.57 3kk1 n GLY 285 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kk1 n THR 286 N 0.00 -0.88 -3.53 2.61 -1.04 -1.26 -5.13 114.28 105.05 3kk1 n THR 286 Ca 0.00 -3.72 -0.31 0.00 -2.04 0.00 0.00 64.05 57.98 3kk1 n THR 286 Cb 0.00 -1.79 -0.04 0.00 -1.82 0.00 0.00 70.33 66.67 3kk1 n THR 286 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kk1 s LYS 287 N -0.51 3.67 0.42 -2.82 1.02 -1.26 -5.07 119.74 115.19 3kk1 s LYS 287 Ca 0.34 0.02 -0.27 0.00 0.02 0.00 0.00 55.97 56.09 3kk1 s LYS 287 Cb 0.09 -2.75 -0.09 0.00 -0.52 0.00 0.00 37.83 34.56 3kk1 s LYS 287 CO -0.16 0.37 1.46 0.00 -0.92 0.00 0.00 175.35 176.10 3kk1 s ALA 288 N -1.81 3.39 0.36 5.17 0.00 -1.26 -4.92 121.76 122.70 3kk1 s ALA 288 Ca 0.43 1.53 0.05 0.00 0.00 0.00 0.00 51.96 53.97 3kk1 s ALA 288 Cb -0.11 -3.60 0.68 0.00 0.00 0.00 0.00 23.12 20.09 3kk1 s ALA 288 CO 0.25 -1.14 1.94 -0.07 0.00 0.00 0.00 175.76 176.73 3kk1 h LEU 289 N 2.62 0.49 -1.40 0.00 4.07 -1.97 -2.37 115.31 116.75 3kk1 h LEU 289 Ca -0.51 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.39 3kk1 h LEU 289 Cb 1.25 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3kk1 h LEU 289 CO 0.62 0.49 0.00 0.35 -1.08 0.00 0.00 178.44 178.82 3kk1 n THR 290 N -4.35 0.48 -2.18 0.22 -2.24 -1.26 -1.55 114.28 103.40 3kk1 n THR 290 Ca 0.02 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 3kk1 n THR 290 Cb 0.18 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 3kk1 n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kk1 s GLU 291 N -1.52 4.40 -0.20 -0.78 2.12 -0.89 -4.85 118.70 116.97 3kk1 s GLU 291 Ca 0.27 2.13 -0.16 0.00 0.36 0.00 0.00 54.97 57.57 3kk1 s GLU 291 Cb 0.14 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 3kk1 s GLU 291 CO 0.19 -0.15 0.42 0.14 -0.54 0.00 0.00 175.26 175.33 3kk1 s VAL 292 N -0.90 5.18 -0.25 3.70 -7.23 -1.26 -0.84 120.40 118.80 3kk1 s VAL 292 Ca 0.50 0.76 -0.05 0.00 -1.81 0.00 0.00 61.98 61.38 3kk1 s VAL 292 Cb -0.38 -3.75 -0.00 0.00 0.56 0.00 0.00 36.38 32.81 3kk1 s VAL 292 CO 0.48 0.24 0.01 -0.63 -0.31 0.00 0.00 175.10 174.89 3kk1 s ILE 293 N 1.35 3.61 0.26 -0.62 1.01 -0.24 -4.94 121.20 121.63 3kk1 s ILE 293 Ca 0.20 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 3kk1 s ILE 293 Cb -0.15 -2.75 -0.09 0.00 0.01 0.00 0.00 42.46 39.48 3kk1 s ILE 293 CO 0.08 0.27 1.27 -2.16 0.00 0.00 0.00 174.94 174.41 3kk1 s PRO 294 N 1.48 4.42 -0.11 2.79 0.04 -1.26 -4.19 135.00 138.17 3kk1 s PRO 294 Ca 0.04 2.07 -0.26 0.00 0.04 0.00 0.00 61.00 62.89 3kk1 s PRO 294 Cb -0.16 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 3kk1 s PRO 294 CO -0.01 -0.15 0.86 -0.51 0.04 0.00 0.00 177.00 177.23 3kk1 s LEU 295 N -0.96 4.25 0.54 -3.56 1.43 -1.26 -5.03 118.68 114.08 3kk1 s LEU 295 Ca 0.52 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.74 3kk1 s LEU 295 Cb -0.37 -3.31 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 3kk1 s LEU 295 CO 0.44 -0.32 1.12 0.42 0.23 0.00 0.00 176.35 178.24 3kk1 s THR 296 N 1.65 3.22 0.17 5.49 -4.23 -1.26 -4.69 115.64 115.99 3kk1 s THR 296 Ca 0.42 0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 61.63 3kk1 s THR 296 Cb -0.18 -3.31 0.26 0.00 1.34 0.00 0.00 72.50 70.61 3kk1 s THR 296 CO 0.17 -0.16 1.01 -0.62 -0.54 0.00 0.00 174.62 174.48 3kk1 n GLU 297 N -1.25 -0.09 0.41 3.99 1.02 -1.26 -0.10 120.64 123.37 3kk1 n GLU 297 Ca 0.11 1.01 -0.17 0.00 -0.02 0.00 0.00 57.16 58.09 3kk1 n GLU 297 Cb 0.51 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.35 3kk1 n GLU 297 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3kk1 h GLU 298 N 0.00 -1.03 -0.91 3.49 9.09 -1.98 0.22 114.58 123.45 3kk1 h GLU 298 Ca 0.29 0.07 0.26 0.00 0.05 0.00 0.00 59.36 60.03 3kk1 h GLU 298 Cb 0.45 0.23 -0.15 0.00 -1.65 0.00 0.00 28.75 27.63 3kk1 h GLU 298 CO -0.66 -0.68 0.27 0.00 0.05 0.00 0.00 179.01 177.98 3kk1 h ALA 299 N -1.26 1.40 -0.02 1.06 0.00 -1.37 0.90 119.26 119.98 3kk1 h ALA 299 Ca -0.11 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kk1 h ALA 299 Cb 0.82 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kk1 h ALA 299 CO 0.18 -0.53 -0.00 1.49 0.00 0.00 0.00 179.25 180.39 3kk1 h GLU 300 N 0.18 0.03 0.09 0.00 4.57 -0.24 -0.99 114.58 118.23 3kk1 h GLU 300 Ca 0.60 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.76 3kk1 h GLU 300 Cb 1.27 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3kk1 h GLU 300 CO -0.69 0.34 -0.04 1.25 -1.18 0.00 0.00 179.01 178.68 3kk1 h LEU 301 N -0.28 -0.11 -1.63 1.64 7.12 0.15 -2.64 115.31 119.57 3kk1 h LEU 301 Ca 0.01 -0.14 0.16 0.00 0.13 0.00 0.00 57.88 58.03 3kk1 h LEU 301 Cb 0.32 0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 40.43 3kk1 h LEU 301 CO 0.00 0.07 0.50 -0.08 -0.13 0.00 0.00 178.44 178.81 3kk1 h GLU 302 N -0.28 0.35 -0.10 1.25 4.81 0.77 0.91 114.58 122.29 3kk1 h GLU 302 Ca -0.01 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 3kk1 h GLU 302 Cb 0.24 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3kk1 h GLU 302 CO 0.02 0.23 -0.27 1.25 -0.73 0.00 0.00 179.01 179.52 3kk1 h LEU 303 N 0.36 0.17 -0.02 1.64 6.46 -0.92 -2.47 115.31 120.53 3kk1 h LEU 303 Ca 0.37 -0.05 -0.26 0.00 -0.12 0.00 0.00 57.88 57.81 3kk1 h LEU 303 Cb 0.91 -0.05 0.02 0.00 -0.73 0.00 0.00 40.66 40.81 3kk1 h LEU 303 CO -0.11 0.45 -1.06 0.00 -0.62 0.00 0.00 178.44 177.10 3kk1 h ALA 304 N 1.57 0.16 0.10 1.25 0.00 0.11 -2.37 119.26 120.08 3kk1 h ALA 304 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3kk1 h ALA 304 Cb 0.56 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3kk1 h ALA 304 CO 0.04 0.73 -0.19 0.93 0.00 0.00 0.00 179.25 180.76 3kk1 h GLU 305 N 0.33 -0.30 -0.79 0.00 5.08 -0.93 -2.51 114.58 115.46 3kk1 h GLU 305 Ca -0.13 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.44 3kk1 h GLU 305 Cb 1.71 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.89 3kk1 h GLU 305 CO 0.20 -0.20 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.10 3kk1 h ASN 306 N -0.31 -0.38 0.03 1.42 2.35 -1.53 0.21 115.58 117.38 3kk1 h ASN 306 Ca -0.01 0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3kk1 h ASN 306 Cb 0.29 0.37 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 3kk1 h ASN 306 CO -0.07 -0.20 -0.06 -0.09 -1.65 0.00 0.00 177.43 175.36 3kk1 h ARG 307 N 0.09 0.07 0.00 0.81 2.43 -1.25 -0.89 114.38 115.64 3kk1 h ARG 307 Ca 0.43 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3kk1 h ARG 307 Cb 0.78 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3kk1 h ARG 307 CO -0.71 0.14 -0.00 0.93 -1.51 0.00 0.00 179.97 178.82 3kk1 h GLU 308 N 0.07 -0.00 -1.20 0.20 4.39 -0.41 -3.29 114.58 114.33 3kk1 h GLU 308 Ca 0.02 0.00 0.41 0.00 0.34 0.00 0.00 59.36 60.13 3kk1 h GLU 308 Cb 0.15 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.68 3kk1 h GLU 308 CO 0.01 0.50 0.77 -0.89 -1.16 0.00 0.00 179.01 178.24 3kk1 n ILE 309 N -4.70 -0.21 0.18 3.13 5.41 0.50 0.24 119.36 123.92 3kk1 n ILE 309 Ca -0.05 1.55 0.03 0.00 1.00 0.00 0.00 62.75 65.28 3kk1 n ILE 309 Cb 0.24 -2.54 0.33 0.00 -0.71 0.00 0.00 39.64 36.97 3kk1 n ILE 309 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3kk1 h LEU 310 N 0.00 0.00 0.57 1.39 3.38 -1.25 -2.92 115.31 116.47 3kk1 h LEU 310 Ca 0.76 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.71 3kk1 h LEU 310 Cb 2.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.20 3kk1 h LEU 310 CO -0.39 0.42 -0.42 0.11 0.09 0.00 0.00 178.44 178.25 3kk1 h LYS 311 N 0.00 -0.93 -4.83 1.13 1.57 0.31 -3.45 116.57 110.38 3kk1 h LYS 311 Ca -0.00 0.06 -0.52 0.00 -1.87 0.00 0.00 60.65 58.32 3kk1 h LYS 311 Cb 0.83 0.21 0.11 0.00 0.08 0.00 0.00 32.23 33.45 3kk1 h LYS 311 CO 0.05 -0.62 -0.58 0.39 -0.57 0.00 0.00 179.45 178.13 3kk1 n GLU 312 N -5.54 0.00 -2.44 3.15 1.02 -1.11 -4.89 120.64 110.84 3kk1 n GLU 312 Ca -0.12 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.63 3kk1 n GLU 312 Cb 0.43 -0.80 -0.04 0.00 -0.02 0.00 0.00 31.44 31.01 3kk1 n GLU 312 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3kk1 s PRO 313 N -0.80 4.38 -0.15 3.49 0.04 -1.26 -4.94 135.00 135.75 3kk1 s PRO 313 Ca 0.50 1.75 -0.32 0.00 0.04 0.00 0.00 61.00 62.97 3kk1 s PRO 313 Cb -0.64 -2.90 -0.09 0.00 0.04 0.00 0.00 34.50 30.91 3kk1 s PRO 313 CO 0.48 -0.01 2.06 0.28 0.04 0.00 0.00 177.00 179.84 3kk1 n VAL 314 N 0.60 0.49 -2.84 -0.36 0.31 -1.26 -4.93 118.33 110.34 3kk1 n VAL 314 Ca 0.02 -0.25 -0.37 0.00 -0.01 0.00 0.00 64.34 63.73 3kk1 n VAL 314 Cb 0.46 -2.14 -0.06 0.00 -0.91 0.00 0.00 33.84 31.19 3kk1 n VAL 314 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3kk1 s HIS 315 N 5.98 3.67 0.00 3.52 2.46 -1.26 -4.40 115.29 125.26 3kk1 s HIS 315 Ca 0.97 1.71 0.00 0.00 0.47 0.00 0.00 55.06 58.21 3kk1 s HIS 315 Cb -0.56 -2.87 0.00 0.00 -0.13 0.00 0.00 32.58 29.02 3kk1 s HIS 315 CO 0.44 0.22 0.00 0.41 -2.47 0.00 0.00 174.74 173.34 3kk1 n GLY 316 N 0.54 0.86 3.12 1.59 0.00 -1.26 -5.05 105.19 105.00 3kk1 n GLY 316 Ca 0.01 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3kk1 n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kk1 s VAL 317 N -2.52 2.37 -0.16 1.61 1.01 -1.26 -5.09 120.40 116.36 3kk1 s VAL 317 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.73 3kk1 s VAL 317 Cb 0.00 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.18 3kk1 s VAL 317 CO 0.00 0.19 -0.13 -0.31 0.00 0.00 0.00 175.10 174.85 3kk1 s TYR 318 N 1.22 2.20 -0.17 5.22 2.02 -1.26 -5.06 117.35 121.52 3kk1 s TYR 318 Ca -0.02 -1.27 -0.29 0.00 -0.37 0.00 0.00 57.07 55.12 3kk1 s TYR 318 Cb -0.17 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3kk1 s TYR 318 CO -0.07 -0.68 1.85 -0.47 -1.57 0.00 0.00 175.55 174.61 3kk1 s TYR 319 N 1.48 1.68 -0.38 2.71 5.04 -1.26 -4.97 117.35 121.64 3kk1 s TYR 319 Ca 0.04 0.33 -0.12 0.00 -2.44 0.00 0.00 57.07 54.89 3kk1 s TYR 319 Cb -0.13 -4.03 0.03 0.00 0.35 0.00 0.00 41.96 38.17 3kk1 s TYR 319 CO -0.10 -3.78 0.23 0.34 -1.34 0.00 0.00 175.55 170.90 3kk1 s ASP 320 N 5.36 5.83 0.48 4.32 -1.08 -1.26 -4.98 116.67 125.35 3kk1 s ASP 320 Ca 0.83 -0.99 0.22 0.00 -0.52 0.00 0.00 52.55 52.09 3kk1 s ASP 320 Cb -0.30 -2.06 1.24 0.00 -1.46 0.00 0.00 42.92 40.34 3kk1 s ASP 320 CO 0.33 -0.41 2.02 -0.65 0.52 0.00 0.00 175.17 176.98 3kk1 h PRO 321 N 8.48 0.00 -0.13 4.34 0.11 -1.99 -2.27 132.00 140.55 3kk1 h PRO 321 Ca -0.26 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.76 3kk1 h PRO 321 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3kk1 h PRO 321 CO 0.68 0.17 -0.33 0.66 -0.21 0.00 0.00 178.00 178.97 3kk1 h SER 322 N 0.00 0.25 -3.30 -2.05 4.64 -2.03 -3.43 113.55 107.63 3kk1 h SER 322 Ca -0.00 -0.09 -0.55 0.00 -0.47 0.00 0.00 61.79 60.68 3kk1 h SER 322 Cb 0.38 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 3kk1 h SER 322 CO 0.02 0.58 -0.18 -0.75 -0.87 0.00 0.00 176.83 175.63 3kk1 s LYS 323 N -4.31 3.71 0.31 4.77 2.20 -0.85 -5.07 119.74 120.50 3kk1 s LYS 323 Ca -0.05 0.10 -0.13 0.00 -0.36 0.00 0.00 55.97 55.53 3kk1 s LYS 323 Cb 0.14 -2.71 -0.08 0.00 -1.51 0.00 0.00 37.83 33.67 3kk1 s LYS 323 CO 0.76 0.34 0.70 -0.51 -0.36 0.00 0.00 175.35 176.28 3kk1 s ASP 324 N -2.57 6.71 -0.06 1.43 1.11 -1.26 -4.86 116.67 117.18 3kk1 s ASP 324 Ca 0.45 1.18 -0.28 0.00 0.18 0.00 0.00 52.55 54.08 3kk1 s ASP 324 Cb -0.11 -2.33 -0.03 0.00 1.07 0.00 0.00 42.92 41.52 3kk1 s ASP 324 CO 0.24 -0.20 0.89 -0.76 1.18 0.00 0.00 175.17 176.53 3kk1 s LEU 325 N -3.04 4.31 -0.16 1.23 1.02 -1.26 -4.64 118.68 116.14 3kk1 s LEU 325 Ca 0.52 1.46 -0.06 0.00 0.02 0.00 0.00 54.13 56.07 3kk1 s LEU 325 Cb -0.10 -3.40 -0.04 0.00 0.02 0.00 0.00 46.19 42.67 3kk1 s LEU 325 CO 0.20 -0.27 0.04 -0.63 0.02 0.00 0.00 176.35 175.70 3kk1 s ILE 326 N 1.26 4.56 -0.10 -0.59 -1.09 0.87 0.18 121.20 126.29 3kk1 s ILE 326 Ca 0.46 -0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.79 3kk1 s ILE 326 Cb -0.19 -3.02 -0.01 0.00 -1.58 0.00 0.00 42.46 37.66 3kk1 s ILE 326 CO 0.22 0.50 -0.21 0.00 -1.23 0.00 0.00 174.94 174.22 3kk1 s ALA 327 N 0.08 2.28 -0.02 9.38 0.00 0.08 -1.27 121.76 132.29 3kk1 s ALA 327 Ca 0.04 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.07 3kk1 s ALA 327 Cb -0.13 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3kk1 s ALA 327 CO 0.01 0.31 -0.11 -1.21 0.00 0.00 0.00 175.76 174.76 3kk1 s GLU 328 N 0.24 2.47 -0.04 0.00 2.02 -0.65 -0.24 118.70 122.49 3kk1 s GLU 328 Ca -0.14 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.14 3kk1 s GLU 328 Cb -0.17 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.65 3kk1 s GLU 328 CO 0.07 0.61 -0.12 0.42 0.02 0.00 0.00 175.26 176.25 3kk1 s ILE 329 N -0.87 1.07 -0.05 -1.63 1.01 -1.25 -1.76 121.20 117.73 3kk1 s ILE 329 Ca 0.14 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.34 3kk1 s ILE 329 Cb -0.11 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 3kk1 s ILE 329 CO 0.04 0.32 -0.23 -1.10 0.00 0.00 0.00 174.94 173.97 3kk1 s GLN 330 N 0.21 2.49 -0.21 2.79 1.11 -0.31 -4.34 119.66 121.39 3kk1 s GLN 330 Ca -0.05 -0.87 -0.29 0.00 0.01 0.00 0.00 55.36 54.16 3kk1 s GLN 330 Cb -0.11 -2.19 0.00 0.00 -1.01 0.00 0.00 33.01 29.70 3kk1 s GLN 330 CO 0.01 0.45 1.10 0.21 0.01 0.00 0.00 175.29 177.08 3kk1 s LYS 331 N -0.33 4.25 0.00 2.91 2.20 -1.26 -1.84 119.74 125.67 3kk1 s LYS 331 Ca 0.02 1.44 0.24 0.00 -0.36 0.00 0.00 55.97 57.30 3kk1 s LYS 331 Cb -0.12 -3.68 0.24 0.00 -1.51 0.00 0.00 37.83 32.76 3kk1 s LYS 331 CO 0.02 -0.66 1.24 1.04 -0.36 0.00 0.00 175.35 176.63 3kk1 n GLN 332 N 6.42 0.74 0.00 4.03 1.13 -0.72 -4.99 117.38 123.99 3kk1 n GLN 332 Ca 0.13 -0.55 0.00 0.00 -1.94 0.00 0.00 57.00 54.63 3kk1 n GLN 332 Cb 0.46 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.32 3kk1 n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kk1 n GLY 333 N 1.42 -0.64 3.74 1.08 0.00 -1.23 -4.84 105.19 104.72 3kk1 n GLY 333 Ca 0.09 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.09 3kk1 n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kk1 n GLN 334 N -0.65 -0.86 -0.85 1.61 1.13 -1.26 0.55 117.38 117.05 3kk1 n GLN 334 Ca 0.00 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 3kk1 n GLN 334 Cb 0.00 -3.07 0.00 0.00 0.11 0.00 0.00 30.24 27.28 3kk1 n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kk1 n GLY 335 N -1.40 1.11 3.81 1.08 0.00 -1.26 -4.65 105.19 103.87 3kk1 n GLY 335 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3kk1 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kk1 s GLN 336 N -0.08 4.25 -0.01 1.61 -1.52 0.19 -1.73 119.66 122.37 3kk1 s GLN 336 Ca 0.00 0.79 0.01 0.00 -1.95 0.00 0.00 55.36 54.21 3kk1 s GLN 336 Cb 0.00 -3.19 0.01 0.00 -0.22 0.00 0.00 33.01 29.61 3kk1 s GLN 336 CO 0.00 0.60 -0.01 -1.58 -0.25 0.00 0.00 175.29 174.05 3kk1 s TRP 337 N -1.18 0.19 0.00 0.91 0.52 0.52 -1.76 118.94 118.15 3kk1 s TRP 337 Ca 0.32 -0.01 0.06 0.00 0.02 0.00 0.00 56.10 56.49 3kk1 s TRP 337 Cb -0.19 -0.19 -0.03 0.00 -1.15 0.00 0.00 33.47 31.91 3kk1 s TRP 337 CO 0.20 -0.04 -0.16 0.95 0.02 0.00 0.00 176.95 177.92 3kk1 s THR 338 N 0.30 2.90 0.06 2.01 -4.23 -0.77 0.15 115.64 116.06 3kk1 s THR 338 Ca -0.03 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 3kk1 s THR 338 Cb -0.05 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 3kk1 s THR 338 CO -0.01 0.44 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.72 3kk1 s TYR 339 N -0.85 0.74 0.04 3.99 1.13 0.57 -1.16 117.35 121.81 3kk1 s TYR 339 Ca 0.14 -0.67 0.04 0.00 -1.41 0.00 0.00 57.07 55.17 3kk1 s TYR 339 Cb -0.11 -0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 40.29 3kk1 s TYR 339 CO 0.04 -0.12 -0.11 -0.65 -2.51 0.00 0.00 175.55 172.20 3kk1 s GLN 340 N -2.47 0.73 -0.18 -3.49 1.11 -0.72 0.61 119.66 115.25 3kk1 s GLN 340 Ca -0.02 -0.73 0.01 0.00 0.01 0.00 0.00 55.36 54.63 3kk1 s GLN 340 Cb -0.04 -0.66 0.02 0.00 -1.01 0.00 0.00 33.01 31.32 3kk1 s GLN 340 CO -0.02 0.15 -0.18 0.42 0.01 0.00 0.00 175.29 175.68 3kk1 s ILE 341 N -1.01 1.97 0.12 1.08 1.01 0.94 -1.64 121.20 123.67 3kk1 s ILE 341 Ca -0.03 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 3kk1 s ILE 341 Cb -0.08 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3kk1 s ILE 341 CO 0.01 0.47 0.10 -0.72 0.00 0.00 0.00 174.94 174.81 3kk1 s TYR 342 N 1.31 0.68 -0.03 3.97 -0.85 -0.40 0.48 117.35 122.52 3kk1 s TYR 342 Ca 0.04 -1.08 0.03 0.00 -0.52 0.00 0.00 57.07 55.54 3kk1 s TYR 342 Cb -0.14 -0.36 -0.04 0.00 0.38 0.00 0.00 41.96 41.81 3kk1 s TYR 342 CO -0.12 -0.54 0.02 1.04 -1.52 0.00 0.00 175.55 174.43 3kk1 n GLN 343 N -0.09 2.90 -4.71 -3.49 6.02 -1.26 -0.09 117.38 116.66 3kk1 n GLN 343 Ca -0.08 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.67 3kk1 n GLN 343 Cb 0.63 -1.08 -0.15 0.00 1.02 0.00 0.00 30.24 30.66 3kk1 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kk1 s GLU 344 N -2.11 1.28 0.10 -1.09 0.41 -1.26 -4.91 118.70 111.13 3kk1 s GLU 344 Ca -0.02 -0.64 -0.35 0.00 -0.41 0.00 0.00 54.97 53.55 3kk1 s GLU 344 Cb 0.01 -1.26 -0.17 0.00 -1.78 0.00 0.00 34.13 30.93 3kk1 s GLU 344 CO 0.13 0.34 1.10 -2.30 -0.49 0.00 0.00 175.26 174.05 3kk1 n PRO 345 N 2.51 0.69 -0.80 0.39 -0.02 -1.26 -1.06 135.00 135.45 3kk1 n PRO 345 Ca -0.15 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3kk1 n PRO 345 Cb 0.54 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3kk1 n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kk1 n PHE 346 N 1.56 0.00 -2.96 6.00 3.72 -1.26 -4.88 117.46 119.65 3kk1 n PHE 346 Ca 0.18 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.20 3kk1 n PHE 346 Cb 0.18 -1.10 -0.01 0.00 -0.94 0.00 0.00 39.48 37.61 3kk1 n PHE 346 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kk1 n LYS 347 N -1.39 4.25 -2.40 -1.08 4.01 -0.22 -4.68 118.16 116.65 3kk1 n LYS 347 Ca 0.00 -4.66 -0.39 0.00 -0.51 0.00 0.00 58.31 52.75 3kk1 n LYS 347 Cb 0.12 -2.41 -0.03 0.00 -0.51 0.00 0.00 35.03 32.20 3kk1 n LYS 347 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3kk1 s ASN 348 N -2.03 6.90 -0.12 4.39 0.01 -1.26 -4.17 114.94 118.65 3kk1 s ASN 348 Ca 0.38 2.29 0.16 0.00 -0.71 0.00 0.00 52.86 54.98 3kk1 s ASN 348 Cb 0.14 -2.62 -0.24 0.00 0.41 0.00 0.00 41.25 38.94 3kk1 s ASN 348 CO -0.02 -0.41 0.33 0.18 -1.51 0.00 0.00 177.10 175.68 3kk1 n LEU 349 N 0.58 0.35 -3.64 0.60 4.77 0.18 -4.94 117.00 114.91 3kk1 n LEU 349 Ca 0.02 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3kk1 n LEU 349 Cb 0.46 0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.82 3kk1 n LEU 349 CO 0.52 0.42 0.38 -0.75 -1.33 0.00 0.00 177.39 176.63 3kk1 s LYS 350 N -2.59 0.75 -0.06 3.23 2.36 -1.16 -5.00 119.74 117.27 3kk1 s LYS 350 Ca -0.08 1.15 0.05 0.00 -2.55 0.00 0.00 55.97 54.55 3kk1 s LYS 350 Cb 0.07 0.22 -0.01 0.00 -1.05 0.00 0.00 37.83 37.07 3kk1 s LYS 350 CO 0.83 -0.13 -0.23 0.95 1.55 0.00 0.00 175.35 178.32 3kk1 s THR 351 N 1.24 1.90 0.28 3.43 -4.23 -1.26 -0.04 115.64 116.95 3kk1 s THR 351 Ca -0.07 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.45 3kk1 s THR 351 Cb -0.05 -1.62 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 3kk1 s THR 351 CO -0.13 0.53 0.34 -0.83 -0.54 0.00 0.00 174.62 173.98 3kk1 s GLY 352 N 0.01 1.44 0.02 3.99 0.00 0.20 -1.05 107.32 111.94 3kk1 s GLY 352 Ca -0.07 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.11 3kk1 s GLY 352 CO 0.04 -1.13 -0.05 -1.59 0.00 0.00 0.00 173.10 170.37 3kk1 s LYS 353 N -3.64 0.40 -0.18 2.90 -2.85 -1.26 -0.32 119.74 114.79 3kk1 s LYS 353 Ca 0.33 -0.51 -0.03 0.00 -1.00 0.00 0.00 55.97 54.77 3kk1 s LYS 353 Cb 0.02 -0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 35.57 3kk1 s LYS 353 CO 0.17 0.04 -0.07 -0.47 0.10 0.00 0.00 175.35 175.12 3kk1 s TYR 354 N -0.94 2.93 0.04 1.78 5.04 0.39 -4.95 117.35 121.64 3kk1 s TYR 354 Ca -0.07 -0.74 0.02 0.00 -2.44 0.00 0.00 57.07 53.84 3kk1 s TYR 354 Cb -0.07 -2.00 -0.04 0.00 0.35 0.00 0.00 41.96 40.20 3kk1 s TYR 354 CO -0.00 -0.36 0.07 0.00 -1.34 0.00 0.00 175.55 173.91 3kk1 s ALA 355 N 0.96 3.52 0.35 3.97 0.00 -1.26 -0.35 121.76 128.95 3kk1 s ALA 355 Ca -0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 3kk1 s ALA 355 Cb -0.15 -1.46 0.03 0.00 0.00 0.00 0.00 23.12 21.55 3kk1 s ALA 355 CO 0.00 0.72 0.60 -2.13 0.00 0.00 0.00 175.76 174.95 3kk1 n ARG 356 N 0.81 0.87 -1.64 0.00 3.00 -0.70 -5.01 116.66 113.99 3kk1 n ARG 356 Ca -0.11 -2.37 -0.49 0.00 -0.00 0.00 0.00 57.85 54.88 3kk1 n ARG 356 Cb 0.52 2.59 -0.05 0.00 0.00 0.00 0.00 32.46 35.52 3kk1 n ARG 356 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 3kk1 n MET 357 N -0.53 1.67 -0.28 -0.14 0.00 -1.26 -4.63 117.12 111.96 3kk1 n MET 357 Ca -0.04 0.60 0.04 0.00 0.00 0.00 0.00 57.70 58.30 3kk1 n MET 357 Cb 0.56 -2.32 0.16 0.00 0.00 0.00 0.00 33.22 31.62 3kk1 n MET 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3kk1 n ARG 358 N 3.27 2.23 0.00 2.12 1.74 -1.26 -4.47 116.66 120.28 3kk1 n ARG 358 Ca 0.18 -1.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.03 3kk1 n ARG 358 Cb 0.24 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3kk1 n ARG 358 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kk1 n GLY 359 N 0.60 -3.14 0.08 -0.13 0.00 -1.26 -4.97 105.19 96.37 3kk1 n GLY 359 Ca 0.11 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.84 3kk1 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk1 n ALA 360 N -3.00 1.83 -0.69 4.61 0.00 -1.26 -4.46 120.51 117.54 3kk1 n ALA 360 Ca 0.00 -1.11 0.07 0.00 0.00 0.00 0.00 53.44 52.40 3kk1 n ALA 360 Cb 0.00 -0.35 0.37 0.00 0.00 0.00 0.00 19.45 19.47 3kk1 n ALA 360 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kk1 n HIS 361 N -2.64 1.82 -1.59 0.00 8.25 -1.26 -4.97 115.22 114.82 3kk1 n HIS 361 Ca -0.25 -0.65 -0.48 0.00 -0.26 0.00 0.00 57.72 56.08 3kk1 n HIS 361 Cb 1.01 -0.43 -0.04 0.00 1.12 0.00 0.00 29.99 31.65 3kk1 n HIS 361 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3kk1 n THR 362 N 0.69 1.03 -3.69 1.59 -2.24 -1.26 -4.96 114.28 105.44 3kk1 n THR 362 Ca 0.25 -0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 3kk1 n THR 362 Cb 1.07 -0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 3kk1 n THR 362 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kk1 s ASN 363 N -0.04 5.44 0.26 3.42 3.84 -1.26 -4.98 114.94 121.61 3kk1 s ASN 363 Ca 0.71 -1.43 -0.01 0.00 0.21 0.00 0.00 52.86 52.34 3kk1 s ASN 363 Cb -0.82 -1.91 0.48 0.00 -0.55 0.00 0.00 41.25 38.46 3kk1 s ASN 363 CO 0.53 -0.45 1.82 0.44 -2.79 0.00 0.00 177.10 176.65 3kk1 h ASP 364 N 8.27 0.79 -0.08 -4.21 3.45 -1.98 0.48 116.42 123.15 3kk1 h ASP 364 Ca -0.22 0.05 -0.14 0.00 0.43 0.00 0.00 57.03 57.16 3kk1 h ASP 364 Cb 1.08 -0.10 0.01 0.00 -0.56 0.00 0.00 39.33 39.75 3kk1 h ASP 364 CO 0.68 0.43 -0.49 0.58 -1.57 0.00 0.00 179.24 178.87 3kk1 h VAL 365 N 0.88 1.39 -0.07 -1.35 2.07 -1.98 0.33 116.25 117.52 3kk1 h VAL 365 Ca 0.45 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 66.16 3kk1 h VAL 365 Cb 0.44 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 3kk1 h VAL 365 CO -0.26 0.55 -0.39 0.50 0.02 0.00 0.00 177.57 177.99 3kk1 h LYS 366 N 0.03 -0.48 -1.00 1.57 3.64 -1.87 -1.79 116.57 116.67 3kk1 h LYS 366 Ca -0.04 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 3kk1 h LYS 366 Cb 1.14 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 3kk1 h LYS 366 CO 0.10 -0.32 0.62 1.96 -2.27 0.00 0.00 179.45 179.53 3kk1 h GLN 367 N -0.50 0.88 -0.32 1.90 4.20 -0.68 -0.05 115.11 120.54 3kk1 h GLN 367 Ca 0.07 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3kk1 h GLN 367 Cb 0.61 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3kk1 h GLN 367 CO -0.35 0.58 -0.11 1.25 -0.67 0.00 0.00 178.83 179.54 3kk1 h LEU 368 N 0.91 0.52 0.00 1.46 6.46 0.15 -1.09 115.31 123.73 3kk1 h LEU 368 Ca 0.52 -0.13 -0.15 0.00 -0.12 0.00 0.00 57.88 58.00 3kk1 h LEU 368 Cb 0.62 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 3kk1 h LEU 368 CO -0.31 0.67 -1.04 0.71 -0.62 0.00 0.00 178.44 177.85 3kk1 h THR 369 N 0.50 0.72 -0.11 1.05 1.35 -0.24 -1.45 112.91 114.73 3kk1 h THR 369 Ca 0.09 -2.18 -0.10 0.00 -0.55 0.00 0.00 66.41 63.67 3kk1 h THR 369 Cb 0.49 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 3kk1 h THR 369 CO 0.03 0.41 -0.40 -0.33 -0.25 0.00 0.00 175.52 174.98 3kk1 h GLU 370 N 0.00 0.23 -0.31 4.72 5.08 -0.98 -2.29 114.58 121.03 3kk1 h GLU 370 Ca -0.09 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 3kk1 h GLU 370 Cb 1.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 3kk1 h GLU 370 CO 0.06 0.60 -0.14 0.00 -1.00 0.00 0.00 179.01 178.53 3kk1 h ALA 371 N 1.39 0.44 -0.06 3.43 0.00 -0.85 -1.83 119.26 121.78 3kk1 h ALA 371 Ca 0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3kk1 h ALA 371 Cb 0.79 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3kk1 h ALA 371 CO 0.06 0.33 -0.39 -0.39 0.00 0.00 0.00 179.25 178.87 3kk1 h VAL 372 N 0.41 1.29 -0.18 0.00 -1.51 -1.23 -1.24 116.25 113.80 3kk1 h VAL 372 Ca 0.07 -1.42 -0.13 0.00 -1.23 0.00 0.00 66.70 64.00 3kk1 h VAL 372 Cb 0.66 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 3kk1 h VAL 372 CO 0.04 0.42 -0.38 1.56 -1.23 0.00 0.00 177.57 177.98 3kk1 h GLN 373 N 0.11 0.59 0.01 5.19 4.20 -1.35 -0.45 115.11 123.41 3kk1 h GLN 373 Ca 0.01 -0.38 0.01 0.00 0.06 0.00 0.00 58.65 58.34 3kk1 h GLN 373 Cb 0.74 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3kk1 h GLN 373 CO 0.06 1.00 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.96 3kk1 h LYS 374 N 0.25 -0.07 -0.62 1.46 1.63 -1.22 -0.21 116.57 117.79 3kk1 h LYS 374 Ca 0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 3kk1 h LYS 374 Cb 0.98 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.60 3kk1 h LYS 374 CO 0.08 -0.04 0.12 0.82 -3.45 0.00 0.00 179.45 176.98 3kk1 h ILE 375 N -0.07 1.25 -0.37 2.00 2.04 -1.23 -0.69 117.51 120.44 3kk1 h ILE 375 Ca 0.01 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3kk1 h ILE 375 Cb 0.09 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3kk1 h ILE 375 CO -0.04 0.35 0.11 0.74 0.00 0.00 0.00 178.15 179.31 3kk1 h THR 376 N 0.93 1.22 -0.24 -0.27 2.02 -0.99 -1.71 112.91 113.87 3kk1 h THR 376 Ca 0.19 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.67 3kk1 h THR 376 Cb 0.37 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3kk1 h THR 376 CO 0.01 0.25 0.12 0.74 0.37 0.00 0.00 175.52 177.00 3kk1 h THR 377 N 0.45 0.99 -1.00 3.16 2.02 -0.26 -0.41 112.91 117.86 3kk1 h THR 377 Ca 0.12 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.26 3kk1 h THR 377 Cb 0.27 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 3kk1 h THR 377 CO -0.00 0.05 0.66 -0.33 0.37 0.00 0.00 175.52 176.26 3kk1 h GLU 378 N 0.25 1.21 -0.54 6.66 5.08 -1.08 -1.72 114.58 124.44 3kk1 h GLU 378 Ca 0.10 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3kk1 h GLU 378 Cb 0.03 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3kk1 h GLU 378 CO -0.07 0.80 0.16 0.77 -1.00 0.00 0.00 179.01 179.67 3kk1 h SER 379 N 1.25 0.79 0.09 1.42 0.02 -0.34 -0.39 113.55 116.38 3kk1 h SER 379 Ca 0.41 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3kk1 h SER 379 Cb 0.05 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.38 3kk1 h SER 379 CO -0.14 0.79 -0.04 0.40 -1.14 0.00 0.00 176.83 176.70 3kk1 h ILE 380 N 0.74 0.97 -0.78 3.27 2.04 -0.74 0.13 117.51 123.14 3kk1 h ILE 380 Ca 0.17 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3kk1 h ILE 380 Cb 0.29 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3kk1 h ILE 380 CO -0.00 0.05 0.50 0.58 0.00 0.00 0.00 178.15 179.28 3kk1 h VAL 381 N -0.21 1.20 0.06 1.67 2.07 -1.14 1.36 116.25 121.26 3kk1 h VAL 381 Ca -0.01 -0.39 -0.30 0.00 0.82 0.00 0.00 66.70 66.82 3kk1 h VAL 381 Cb 0.18 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3kk1 h VAL 381 CO 0.02 0.20 -1.67 0.40 0.02 0.00 0.00 177.57 176.54 3kk1 h ILE 382 N 1.06 0.95 0.00 4.57 2.04 -0.89 -3.40 117.51 121.83 3kk1 h ILE 382 Ca 0.28 -2.71 0.00 0.00 1.00 0.00 0.00 64.86 63.44 3kk1 h ILE 382 Cb -0.11 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3kk1 h ILE 382 CO -0.06 0.70 0.00 0.79 0.00 0.00 0.00 178.15 179.58 3kk1 n TRP 383 N -3.27 0.00 -2.12 1.37 8.01 0.42 -4.99 117.44 116.86 3kk1 n TRP 383 Ca -0.19 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 55.87 3kk1 n TRP 383 Cb 1.04 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 30.32 3kk1 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kk1 n GLY 384 N 0.27 0.08 3.09 6.99 0.00 0.47 -4.97 105.19 111.11 3kk1 n GLY 384 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 3kk1 n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kk1 s LYS 385 N -4.42 0.58 -0.12 1.61 2.20 -1.24 -4.93 119.74 113.42 3kk1 s LYS 385 Ca 0.00 -0.96 -0.16 0.00 -0.36 0.00 0.00 55.97 54.49 3kk1 s LYS 385 Cb 0.00 0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.49 3kk1 s LYS 385 CO 0.00 -0.13 0.38 0.99 -0.36 0.00 0.00 175.35 176.23 3kk1 s THR 386 N -3.15 5.22 0.41 3.43 2.01 -1.26 -3.33 115.64 118.96 3kk1 s THR 386 Ca -0.00 0.75 -0.22 0.00 0.31 0.00 0.00 61.69 62.53 3kk1 s THR 386 Cb 0.02 -3.71 -0.11 0.00 0.01 0.00 0.00 72.50 68.71 3kk1 s THR 386 CO -0.07 0.40 0.95 -2.16 -0.69 0.00 0.00 174.62 173.05 3kk1 s PRO 387 N 0.23 4.29 -0.35 4.92 0.04 -1.26 -4.48 135.00 138.39 3kk1 s PRO 387 Ca 0.21 1.15 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 3kk1 s PRO 387 Cb -0.14 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.12 3kk1 s PRO 387 CO 0.08 0.03 0.93 0.21 0.04 0.00 0.00 177.00 178.29 3kk1 s LYS 388 N -2.98 3.90 0.14 4.56 2.20 0.47 -4.19 119.74 123.84 3kk1 s LYS 388 Ca 0.60 0.66 -0.21 0.00 -0.36 0.00 0.00 55.97 56.66 3kk1 s LYS 388 Cb -0.11 -3.78 -0.07 0.00 -1.51 0.00 0.00 37.83 32.36 3kk1 s LYS 388 CO 0.15 -0.90 0.67 -0.06 -0.36 0.00 0.00 175.35 174.85 3kk1 s PHE 389 N 3.42 3.80 -0.56 4.03 0.40 -0.95 -0.75 117.98 127.38 3kk1 s PHE 389 Ca 0.38 1.40 -0.14 0.00 -0.60 0.00 0.00 56.93 57.98 3kk1 s PHE 389 Cb -0.12 -2.60 0.14 0.00 0.51 0.00 0.00 43.02 40.94 3kk1 s PHE 389 CO 0.17 0.51 0.50 0.15 0.70 0.00 0.00 175.22 177.25 3kk1 s LYS 390 N -1.34 2.94 -0.18 0.44 1.02 0.66 -0.90 119.74 122.38 3kk1 s LYS 390 Ca 0.34 -1.82 -0.22 0.00 0.02 0.00 0.00 55.97 54.29 3kk1 s LYS 390 Cb -0.20 -4.22 -0.02 0.00 -0.52 0.00 0.00 37.83 32.86 3kk1 s LYS 390 CO 0.22 -1.29 0.69 -0.51 -0.92 0.00 0.00 175.35 173.54 3kk1 s LEU 391 N 1.36 4.16 -0.53 3.17 1.43 0.15 -3.79 118.68 124.64 3kk1 s LEU 391 Ca 0.05 0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 54.05 3kk1 s LEU 391 Cb -0.27 -3.00 -0.16 0.00 0.03 0.00 0.00 46.19 42.79 3kk1 s LEU 391 CO 0.01 -0.30 2.89 -0.81 0.23 0.00 0.00 176.35 178.36 3kk1 n PRO 392 N 5.01 2.19 -3.89 1.29 -0.04 -1.26 -1.65 135.00 136.65 3kk1 n PRO 392 Ca 0.00 -1.24 -0.10 0.00 -0.04 0.00 0.00 63.50 62.12 3kk1 n PRO 392 Cb 0.50 -2.20 -0.09 0.00 -0.04 0.00 0.00 33.50 31.66 3kk1 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3kk1 s ILE 393 N 1.88 0.12 0.27 0.52 2.07 -1.26 -4.96 121.20 119.84 3kk1 s ILE 393 Ca 0.56 -1.01 -0.29 0.00 -1.41 0.00 0.00 60.65 58.50 3kk1 s ILE 393 Cb 0.22 -0.92 -0.09 0.00 0.13 0.00 0.00 42.46 41.79 3kk1 s ILE 393 CO -0.02 -0.56 1.25 -1.58 -1.91 0.00 0.00 174.94 172.12 3kk1 s GLN 394 N -2.63 4.45 0.11 3.50 -0.44 -1.26 -4.34 119.66 119.04 3kk1 s GLN 394 Ca -0.05 2.04 -0.25 0.00 -2.50 0.00 0.00 55.36 54.60 3kk1 s GLN 394 Cb -0.01 -3.15 -0.08 0.00 -1.64 0.00 0.00 33.01 28.13 3kk1 s GLN 394 CO -0.04 -0.10 1.43 -0.22 0.50 0.00 0.00 175.29 176.85 3kk1 h LYS 395 N 4.22 -0.22 -0.60 1.67 3.64 -1.95 -1.34 116.57 121.99 3kk1 h LYS 395 Ca -0.47 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 3kk1 h LYS 395 Cb 1.22 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 3kk1 h LYS 395 CO 0.70 -0.14 0.37 0.93 -2.27 0.00 0.00 179.45 179.04 3kk1 h GLU 396 N -0.22 0.71 -0.21 1.90 4.39 -1.97 0.20 114.58 119.37 3kk1 h GLU 396 Ca 0.08 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.78 3kk1 h GLU 396 Cb 0.43 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 3kk1 h GLU 396 CO -0.54 0.47 -0.13 1.15 -1.16 0.00 0.00 179.01 178.80 3kk1 h THR 397 N 0.73 0.62 -0.51 1.13 2.02 -1.91 0.20 112.91 115.20 3kk1 h THR 397 Ca 0.24 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 3kk1 h THR 397 Cb 0.01 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3kk1 h THR 397 CO -0.09 0.00 0.30 -0.25 0.37 0.00 0.00 175.52 175.84 3kk1 h TRP 398 N -0.11 0.68 0.00 3.16 2.91 -0.28 -2.32 115.95 119.99 3kk1 h TRP 398 Ca 0.12 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.13 3kk1 h TRP 398 Cb 0.29 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 3kk1 h TRP 398 CO -0.29 0.49 0.00 0.39 -1.03 0.00 0.00 178.44 178.00 3kk1 n GLU 399 N -4.67 0.01 0.04 2.65 1.02 -0.03 -1.69 120.64 117.96 3kk1 n GLU 399 Ca 0.02 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 3kk1 n GLU 399 Cb 0.07 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 3kk1 n GLU 399 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3kk1 h THR 400 N 0.00 1.36 0.00 2.62 2.02 -0.38 -3.42 112.91 115.11 3kk1 h THR 400 Ca 0.00 -2.22 0.00 0.00 0.77 0.00 0.00 66.41 64.96 3kk1 h THR 400 Cb 0.46 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 3kk1 h THR 400 CO 0.00 0.67 -0.61 0.79 0.37 0.00 0.00 175.52 176.74 3kk1 n TRP 401 N -3.83 0.00 -0.08 3.16 8.01 -1.13 -4.85 117.44 118.73 3kk1 n TRP 401 Ca -0.06 0.00 0.19 0.00 -1.31 0.00 0.00 57.50 56.32 3kk1 n TRP 401 Cb 0.77 0.00 0.63 0.00 -2.01 0.00 0.00 31.31 30.70 3kk1 n TRP 401 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.69 176.79 3kk1 h TRP 402 N 0.00 0.17 0.00 -5.99 5.08 -1.58 0.23 115.95 113.86 3kk1 h TRP 402 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.97 3kk1 h TRP 402 Cb 0.00 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 26.10 3kk1 h TRP 402 CO 0.00 0.06 -0.04 1.79 -1.28 0.00 0.00 178.44 178.98 3kk1 h THR 403 N 0.15 0.09 0.00 0.12 1.35 -1.88 -1.58 112.91 111.15 3kk1 h THR 403 Ca 0.31 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3kk1 h THR 403 Cb 1.03 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 3kk1 h THR 403 CO -0.04 0.04 0.00 1.21 -0.25 0.00 0.00 175.52 176.47 3kk1 n GLU 404 N -3.14 0.28 0.00 4.72 4.07 0.81 -3.35 120.64 124.04 3kk1 n GLU 404 Ca 0.01 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 3kk1 n GLU 404 Cb 0.37 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.25 3kk1 n GLU 404 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3kk1 n TYR 405 N -1.27 0.00 -2.28 4.31 4.01 -0.62 -5.07 117.16 116.23 3kk1 n TYR 405 Ca 0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.45 3kk1 n TYR 405 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 3kk1 n TYR 405 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3kk1 s TRP 406 N -0.67 2.98 0.00 -0.72 -0.11 -1.02 -4.85 118.94 114.54 3kk1 s TRP 406 Ca 0.00 1.54 0.00 0.00 1.22 0.00 0.00 56.10 58.86 3kk1 s TRP 406 Cb 0.00 -3.39 0.00 0.00 -1.50 0.00 0.00 33.47 28.58 3kk1 s TRP 406 CO 0.00 -1.40 0.00 1.04 -4.62 0.00 0.00 176.95 171.97 3kk1 n GLN 407 N -0.19 0.00 -2.38 5.86 1.13 -1.26 -4.80 117.38 115.75 3kk1 n GLN 407 Ca 0.06 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.84 3kk1 n GLN 407 Cb 0.47 -0.28 0.02 0.00 0.11 0.00 0.00 30.24 30.56 3kk1 n GLN 407 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kk1 s ALA 408 N 0.00 3.28 -0.38 -1.58 0.00 -1.26 -4.94 121.76 116.88 3kk1 s ALA 408 Ca 0.00 -0.51 0.22 0.00 0.00 0.00 0.00 51.96 51.67 3kk1 s ALA 408 Cb 0.00 -2.70 -0.21 0.00 0.00 0.00 0.00 23.12 20.21 3kk1 s ALA 408 CO 0.00 -0.64 0.72 0.25 0.00 0.00 0.00 175.76 176.10 3kk1 n THR 409 N -2.51 0.08 -3.03 0.00 -2.24 -1.26 -4.91 114.28 100.40 3kk1 n THR 409 Ca 0.03 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.28 3kk1 n THR 409 Cb 0.56 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 69.04 3kk1 n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3kk1 s TRP 410 N -3.33 2.97 -0.07 4.78 1.48 -1.26 -4.76 118.94 118.76 3kk1 s TRP 410 Ca -0.02 -0.14 -0.03 0.00 -1.06 0.00 0.00 56.10 54.86 3kk1 s TRP 410 Cb 0.14 -2.36 0.04 0.00 -1.16 0.00 0.00 33.47 30.12 3kk1 s TRP 410 CO 0.87 -0.42 0.07 0.42 -4.06 0.00 0.00 176.95 173.83 3kk1 s ILE 411 N -2.45 -0.11 0.58 0.66 1.01 -1.26 -5.03 121.20 114.61 3kk1 s ILE 411 Ca 0.52 0.30 -0.18 0.00 0.00 0.00 0.00 60.65 61.29 3kk1 s ILE 411 Cb -0.10 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 3kk1 s ILE 411 CO 0.35 0.08 1.12 -2.16 0.00 0.00 0.00 174.94 174.33 3kk1 s PRO 412 N 2.17 3.18 0.72 2.79 0.04 -1.26 -4.83 135.00 137.79 3kk1 s PRO 412 Ca 0.04 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 3kk1 s PRO 412 Cb -0.13 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.45 3kk1 s PRO 412 CO -0.04 -0.97 1.17 -1.21 0.04 0.00 0.00 177.00 175.98 3kk1 s GLU 413 N -3.57 2.31 0.32 4.56 0.41 -1.26 -4.95 118.70 116.53 3kk1 s GLU 413 Ca 0.71 1.61 -0.11 0.00 -0.41 0.00 0.00 54.97 56.76 3kk1 s GLU 413 Cb -0.23 -1.87 0.02 0.00 -1.78 0.00 0.00 34.13 30.27 3kk1 s GLU 413 CO 0.32 -1.67 0.60 1.67 -0.49 0.00 0.00 175.26 175.69 3kk1 s TRP 414 N -2.15 0.45 0.13 1.61 -2.14 -1.26 -2.25 118.94 113.32 3kk1 s TRP 414 Ca 0.71 -0.88 -0.18 0.00 2.66 0.00 0.00 56.10 58.41 3kk1 s TRP 414 Cb -0.26 0.36 0.04 0.00 -3.10 0.00 0.00 33.47 30.52 3kk1 s TRP 414 CO 0.45 -1.24 0.46 -1.83 -2.66 0.00 0.00 176.95 172.12 3kk1 s GLU 415 N -3.19 1.12 0.03 3.25 -1.05 -0.08 -4.91 118.70 113.87 3kk1 s GLU 415 Ca 0.22 -0.61 0.03 0.00 -0.15 0.00 0.00 54.97 54.45 3kk1 s GLU 415 Cb -0.03 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 3kk1 s GLU 415 CO 0.13 -0.45 -0.00 -0.06 0.95 0.00 0.00 175.26 175.83 3kk1 s PHE 416 N -3.67 3.04 -0.01 4.83 0.08 -1.26 0.34 117.98 121.32 3kk1 s PHE 416 Ca 0.02 0.03 -0.05 0.00 0.12 0.00 0.00 56.93 57.05 3kk1 s PHE 416 Cb 0.01 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 3kk1 s PHE 416 CO -0.11 0.46 0.11 0.54 -0.10 0.00 0.00 175.22 176.12 3kk1 s VAL 417 N -1.17 0.05 -0.74 -0.44 0.11 -0.66 -4.86 120.40 112.70 3kk1 s VAL 417 Ca 0.22 -0.45 -0.19 0.00 -2.93 0.00 0.00 61.98 58.63 3kk1 s VAL 417 Cb -0.12 -0.31 0.12 0.00 -1.53 0.00 0.00 36.38 34.55 3kk1 s VAL 417 CO 0.13 -0.25 0.88 0.20 -3.33 0.00 0.00 175.10 172.74 3kk1 s ASN 418 N -0.82 6.40 0.16 3.54 -0.87 -1.26 -4.30 114.94 117.79 3kk1 s ASN 418 Ca -0.09 -1.73 -0.29 0.00 -1.57 0.00 0.00 52.86 49.18 3kk1 s ASN 418 Cb -0.05 -2.34 -0.07 0.00 -0.02 0.00 0.00 41.25 38.77 3kk1 s ASN 418 CO 0.01 -1.07 0.90 0.28 -2.57 0.00 0.00 177.10 174.64 3kk1 s THR 419 N 2.54 4.36 0.22 1.60 -1.32 -1.26 -5.01 115.64 116.76 3kk1 s THR 419 Ca 0.20 1.97 -0.32 0.00 -1.21 0.00 0.00 61.69 62.33 3kk1 s THR 419 Cb -0.15 -4.27 -0.12 0.00 -1.51 0.00 0.00 72.50 66.44 3kk1 s THR 419 CO -0.00 0.42 1.69 -2.65 -2.21 0.00 0.00 174.62 171.86 3kk1 n PRO 420 N 2.15 2.69 0.00 7.08 -0.02 -1.26 -4.83 135.00 140.81 3kk1 n PRO 420 Ca -0.01 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3kk1 n PRO 420 Cb 0.48 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3kk1 n PRO 420 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kk1 n PRO 421 N 3.62 0.00 -0.07 0.52 -0.02 -1.26 -2.23 135.00 135.56 3kk1 n PRO 421 Ca 0.15 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 3kk1 n PRO 421 Cb 0.34 -1.28 -0.06 0.00 -0.02 0.00 0.00 33.50 32.48 3kk1 n PRO 421 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kk1 h LEU 422 N 0.00 0.00 -2.03 2.45 4.07 -2.01 -3.36 115.31 114.43 3kk1 h LEU 422 Ca 0.00 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 57.58 3kk1 h LEU 422 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 3kk1 h LEU 422 CO 0.00 0.94 -0.07 0.58 -1.08 0.00 0.00 178.44 178.82 3kk1 h VAL 423 N -1.00 0.82 -0.12 1.22 2.07 -1.83 -0.17 116.25 117.23 3kk1 h VAL 423 Ca -0.09 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3kk1 h VAL 423 Cb 0.71 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3kk1 h VAL 423 CO -0.06 0.07 -0.13 0.07 0.02 0.00 0.00 177.57 177.54 3kk1 h LYS 424 N 0.00 0.19 0.00 1.57 2.10 -1.74 -2.88 116.57 115.82 3kk1 h LYS 424 Ca -0.00 -0.04 -0.29 0.00 -2.00 0.00 0.00 60.65 58.32 3kk1 h LYS 424 Cb 0.14 -0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.40 3kk1 h LYS 424 CO 0.01 0.33 -1.65 1.25 -2.00 0.00 0.00 179.45 177.39 3kk1 h LEU 425 N 0.18 0.01 -0.99 7.07 7.12 -1.23 -2.96 115.31 124.51 3kk1 h LEU 425 Ca 0.04 -0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.15 3kk1 h LEU 425 Cb 0.35 -0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.39 3kk1 h LEU 425 CO 0.02 1.01 0.62 -0.50 -0.13 0.00 0.00 178.44 179.46 3kk1 h TRP 426 N 0.00 1.13 -0.02 1.25 -0.00 -1.04 -2.46 115.95 114.82 3kk1 h TRP 426 Ca -0.26 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.66 3kk1 h TRP 426 Cb 1.99 -0.36 0.00 0.00 -0.00 0.00 0.00 29.16 30.79 3kk1 h TRP 426 CO 0.00 0.46 -0.41 0.66 -0.00 0.00 0.00 178.44 179.15 3kk1 n TYR 427 N -4.62 0.00 -1.01 0.49 4.01 -1.13 -4.82 117.16 110.08 3kk1 n TYR 427 Ca 0.18 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.57 3kk1 n TYR 427 Cb 0.33 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.41 3kk1 n TYR 427 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kk1 n GLN 428 N 0.06 -0.04 -3.41 -0.72 1.13 -0.93 -4.97 117.38 108.50 3kk1 n GLN 428 Ca 0.10 0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 54.95 3kk1 n GLN 428 Cb 0.47 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.50 3kk1 n GLN 428 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3kk1 n LEU 429 N 1.69 0.00 -0.08 1.08 4.77 -1.26 -4.75 117.00 118.44 3kk1 n LEU 429 Ca 0.03 -2.34 0.01 0.00 -0.03 0.00 0.00 56.01 53.68 3kk1 n LEU 429 Cb 0.54 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3kk1 n LEU 429 CO 0.52 -0.53 0.28 -1.84 -1.33 0.00 0.00 177.39 174.50