#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl9 h LEU 4 N 0.00 -0.24 -0.50 -4.42 6.46 -2.04 -0.90 115.31 113.67 3kl9 h LEU 4 Ca 0.00 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.89 3kl9 h LEU 4 Cb 0.00 0.10 -0.10 0.00 -0.73 0.00 0.00 40.66 39.93 3kl9 h LEU 4 CO 0.00 -0.13 -0.19 0.15 -0.62 0.00 0.00 178.44 177.65 3kl9 h PHE 5 N -0.17 -0.46 -0.69 1.25 3.04 -2.02 -0.38 116.94 117.52 3kl9 h PHE 5 Ca 0.02 0.05 0.14 0.00 3.98 0.00 0.00 57.97 62.16 3kl9 h PHE 5 Cb 0.19 0.28 -0.10 0.00 2.56 0.00 0.00 35.95 38.88 3kl9 h PHE 5 CO -0.14 -0.28 0.16 0.77 -2.02 0.00 0.00 178.31 176.81 3kl9 h SER 6 N -0.08 0.02 -0.66 0.41 0.02 -1.84 0.33 113.55 111.76 3kl9 h SER 6 Ca 0.24 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 3kl9 h SER 6 Cb 0.44 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 3kl9 h SER 6 CO -0.55 -0.01 0.33 0.11 -1.14 0.00 0.00 176.83 175.56 3kl9 h LYS 7 N 0.28 0.94 -0.11 3.45 1.57 -0.05 -2.19 116.57 120.46 3kl9 h LYS 7 Ca 0.38 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3kl9 h LYS 7 Cb 0.61 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3kl9 h LYS 7 CO -0.47 0.74 -0.11 0.82 -0.57 0.00 0.00 179.45 179.87 3kl9 h ILE 8 N 0.91 1.35 -0.68 1.86 2.04 0.55 -2.88 117.51 120.67 3kl9 h ILE 8 Ca 0.23 -1.26 0.14 0.00 1.00 0.00 0.00 64.86 64.96 3kl9 h ILE 8 Cb 0.10 1.93 -0.10 0.00 -0.74 0.00 0.00 36.82 38.02 3kl9 h ILE 8 CO -0.03 0.36 0.14 0.50 0.00 0.00 0.00 178.15 179.12 3kl9 h LYS 9 N -0.12 0.24 -0.23 2.37 3.64 -0.39 -1.26 116.57 120.82 3kl9 h LYS 9 Ca 0.02 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3kl9 h LYS 9 Cb 0.63 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3kl9 h LYS 9 CO 0.03 0.16 0.09 1.49 -2.27 0.00 0.00 179.45 178.94 3kl9 h GLU 10 N 0.25 0.19 0.19 1.90 4.81 -1.24 -2.37 114.58 118.31 3kl9 h GLU 10 Ca 0.37 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 59.28 3kl9 h GLU 10 Cb 0.60 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.96 3kl9 h GLU 10 CO -0.47 0.13 -1.37 -0.39 -0.73 0.00 0.00 179.01 176.18 3kl9 h VAL 11 N 0.20 1.38 0.00 0.32 -1.51 -1.27 -3.19 116.25 112.19 3kl9 h VAL 11 Ca 0.10 -2.86 -0.07 0.00 -1.23 0.00 0.00 66.70 62.64 3kl9 h VAL 11 Cb 0.06 2.99 -0.01 0.00 -2.13 0.00 0.00 31.29 32.21 3kl9 h VAL 11 CO -0.10 0.85 -0.32 0.71 -1.23 0.00 0.00 177.57 177.48 3kl9 h THR 12 N 0.12 1.09 -0.00 7.19 1.35 -1.26 -2.88 112.91 118.51 3kl9 h THR 12 Ca -0.20 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3kl9 h THR 12 Cb 2.07 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 3kl9 h THR 12 CO 0.24 0.31 -0.23 -0.62 -0.25 0.00 0.00 175.52 174.98 3kl9 n GLU 13 N -3.96 0.23 -2.01 4.72 1.02 -0.89 -4.71 120.64 115.04 3kl9 n GLU 13 Ca -0.02 -0.09 -0.39 0.00 -0.02 0.00 0.00 57.16 56.64 3kl9 n GLU 13 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3kl9 n GLU 13 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kl9 s LEU 14 N -2.83 4.16 -0.40 -4.62 1.43 -1.09 -5.00 118.68 110.33 3kl9 s LEU 14 Ca 0.17 2.68 -0.03 0.00 -1.03 0.00 0.00 54.13 55.92 3kl9 s LEU 14 Cb 0.19 -3.96 0.10 0.00 0.03 0.00 0.00 46.19 42.55 3kl9 s LEU 14 CO 0.58 -0.95 0.19 0.00 0.23 0.00 0.00 176.35 176.39 3kl9 s ALA 15 N -1.28 3.14 -0.30 4.21 0.00 -1.26 -5.03 121.76 121.25 3kl9 s ALA 15 Ca 0.59 -2.47 -0.00 0.00 0.00 0.00 0.00 51.96 50.08 3kl9 s ALA 15 Cb -0.38 -2.39 0.14 0.00 0.00 0.00 0.00 23.12 20.49 3kl9 s ALA 15 CO 0.49 -1.76 0.30 0.00 0.00 0.00 0.00 175.76 174.79 3kl9 s ALA 16 N 1.16 -0.45 0.73 0.00 0.00 -1.26 -4.82 121.76 117.12 3kl9 s ALA 16 Ca 0.07 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 3kl9 s ALA 16 Cb -0.23 -1.82 0.03 0.00 0.00 0.00 0.00 23.12 21.10 3kl9 s ALA 16 CO -0.04 -1.75 1.07 0.08 0.00 0.00 0.00 175.76 175.12 3kl9 s VAL 17 N 2.28 3.74 0.29 0.00 1.01 -1.26 -1.16 120.40 125.30 3kl9 s VAL 17 Ca 0.10 0.57 -0.28 0.00 0.00 0.00 0.00 61.98 62.36 3kl9 s VAL 17 Cb -0.14 -3.27 -0.14 0.00 0.00 0.00 0.00 36.38 32.83 3kl9 s VAL 17 CO -0.31 -0.74 1.05 -1.20 0.00 0.00 0.00 175.10 173.91 3kl9 n SER 18 N -3.25 1.48 0.00 3.32 7.64 -1.24 -1.31 113.62 120.26 3kl9 n SER 18 Ca 0.08 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.14 3kl9 n SER 18 Cb 0.54 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 3kl9 n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kl9 n GLY 19 N 1.21 2.89 2.55 0.23 0.00 -1.26 -4.83 105.19 105.99 3kl9 n GLY 19 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3kl9 n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kl9 n HIS 20 N -2.00 1.90 -1.27 1.61 -0.00 -0.43 -4.89 115.22 110.15 3kl9 n HIS 20 Ca 0.00 -2.44 -0.24 0.00 -0.00 0.00 0.00 57.72 55.03 3kl9 n HIS 20 Cb 0.00 -0.27 0.16 0.00 -0.00 0.00 0.00 29.99 29.89 3kl9 n HIS 20 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 3kl9 n GLU 21 N -0.49 2.30 0.01 -0.41 0.00 -1.24 -4.20 120.64 116.61 3kl9 n GLU 21 Ca 0.21 -3.07 -0.11 0.00 0.00 0.00 0.00 57.16 54.19 3kl9 n GLU 21 Cb 0.83 -2.17 -0.05 0.00 0.00 0.00 0.00 31.44 30.04 3kl9 n GLU 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kl9 h ALA 22 N 1.16 0.06 -0.84 -1.84 0.00 -1.92 -1.90 119.26 113.97 3kl9 h ALA 22 Ca 0.61 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.58 3kl9 h ALA 22 Cb 2.47 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 20.27 3kl9 h ALA 22 CO 1.14 -0.49 0.55 -1.35 0.00 0.00 0.00 179.25 179.10 3kl9 h PRO 23 N 0.01 1.03 -0.05 0.00 0.11 -1.88 0.70 132.00 131.92 3kl9 h PRO 23 Ca 0.04 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.91 3kl9 h PRO 23 Cb 0.06 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 3kl9 h PRO 23 CO -0.08 0.68 -0.76 0.28 -0.21 0.00 0.00 178.00 177.91 3kl9 h VAL 24 N 1.06 1.42 -0.44 3.15 2.07 -1.89 -2.75 116.25 118.86 3kl9 h VAL 24 Ca 0.33 -2.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 3kl9 h VAL 24 Cb -0.00 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3kl9 h VAL 24 CO -0.09 0.67 0.25 -0.09 0.02 0.00 0.00 177.57 178.32 3kl9 h ARG 25 N 0.20 0.62 -0.57 1.57 2.43 -0.47 -1.54 114.38 116.61 3kl9 h ARG 25 Ca -0.03 -0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3kl9 h ARG 25 Cb 1.34 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.69 3kl9 h ARG 25 CO 0.12 0.49 0.16 0.00 -1.51 0.00 0.00 179.97 179.24 3kl9 h ALA 26 N 1.10 0.69 -0.50 2.80 0.00 -0.79 0.26 119.26 122.83 3kl9 h ALA 26 Ca 0.16 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3kl9 h ALA 26 Cb 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3kl9 h ALA 26 CO -0.03 -0.26 0.28 -0.92 0.00 0.00 0.00 179.25 178.32 3kl9 h TYR 27 N 0.32 0.51 -0.01 0.00 5.03 -1.21 -2.01 116.97 119.60 3kl9 h TYR 27 Ca 0.29 0.02 -0.20 0.00 2.58 0.00 0.00 58.73 61.42 3kl9 h TYR 27 Cb 0.38 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 3kl9 h TYR 27 CO -0.20 0.28 -0.85 -0.07 -1.32 0.00 0.00 178.16 175.99 3kl9 h LEU 28 N 0.54 0.31 -0.92 2.82 3.38 -0.24 -2.51 115.31 118.69 3kl9 h LEU 28 Ca 0.21 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3kl9 h LEU 28 Cb 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kl9 h LEU 28 CO -0.12 1.03 0.21 -0.09 0.09 0.00 0.00 178.44 179.56 3kl9 h ARG 29 N 0.14 1.00 -0.12 1.13 2.43 -0.45 -0.54 114.38 117.98 3kl9 h ARG 29 Ca -0.04 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 58.80 3kl9 h ARG 29 Cb 1.47 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 3kl9 h ARG 29 CO 0.13 0.85 -0.50 1.49 -1.51 0.00 0.00 179.97 180.44 3kl9 h GLU 30 N 0.97 0.32 0.04 0.20 4.22 -1.25 -2.74 114.58 116.34 3kl9 h GLU 30 Ca 0.22 -0.18 -0.31 0.00 0.08 0.00 0.00 59.36 59.16 3kl9 h GLU 30 Cb 0.27 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3kl9 h GLU 30 CO -0.01 0.75 -1.77 0.87 -2.18 0.00 0.00 179.01 176.67 3kl9 h LYS 31 N 0.25 0.09 -0.01 1.92 1.57 -1.31 -3.39 116.57 115.69 3kl9 h LYS 31 Ca 0.01 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3kl9 h LYS 31 Cb 0.97 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 3kl9 h LYS 31 CO 0.08 0.74 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.63 3kl9 h LEU 32 N 0.02 0.01 -0.83 2.94 4.07 -1.17 -3.38 115.31 116.98 3kl9 h LEU 32 Ca -0.32 -0.43 0.16 0.00 0.08 0.00 0.00 57.88 57.37 3kl9 h LEU 32 Cb 2.02 -0.00 -0.16 0.00 1.08 0.00 0.00 40.66 43.60 3kl9 h LEU 32 CO 0.09 0.45 -0.22 0.74 -1.08 0.00 0.00 178.44 178.41 3kl9 h THR 33 N -0.42 0.16 0.00 0.22 2.02 -1.68 0.13 112.91 113.34 3kl9 h THR 33 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3kl9 h THR 33 Cb 0.44 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3kl9 h THR 33 CO 0.00 0.00 -0.06 -0.65 0.37 0.00 0.00 175.52 175.18 3kl9 h PRO 34 N -0.01 0.00 -0.31 6.66 0.11 -1.80 -3.19 132.00 133.45 3kl9 h PRO 34 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3kl9 h PRO 34 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3kl9 h PRO 34 CO -0.86 0.06 0.00 0.72 -0.21 0.00 0.00 178.00 177.71 3kl9 n HIS 35 N -3.41 0.98 -3.83 0.65 8.25 0.03 -5.00 115.22 112.89 3kl9 n HIS 35 Ca -0.02 -0.80 -0.11 0.00 -0.26 0.00 0.00 57.72 56.54 3kl9 n HIS 35 Cb 0.20 -0.28 -0.09 0.00 1.12 0.00 0.00 29.99 30.94 3kl9 n HIS 35 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kl9 s VAL 36 N -2.50 0.09 0.17 1.59 1.01 -1.20 -4.63 120.40 114.94 3kl9 s VAL 36 Ca 0.41 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3kl9 s VAL 36 Cb 0.31 -0.75 -0.14 0.00 0.00 0.00 0.00 36.38 35.80 3kl9 s VAL 36 CO 0.11 -0.43 1.40 0.44 0.00 0.00 0.00 175.10 176.62 3kl9 h ASP 37 N 3.70 0.23 -3.85 3.32 3.32 -1.47 -3.47 116.42 118.19 3kl9 h ASP 37 Ca -0.31 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 3kl9 h ASP 37 Cb 1.19 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 40.45 3kl9 h ASP 37 CO 0.45 0.97 0.01 -0.70 -1.72 0.00 0.00 179.24 178.25 3kl9 s GLU 38 N -3.24 0.72 -0.35 3.56 2.12 -1.07 -4.99 118.70 115.44 3kl9 s GLU 38 Ca -0.03 0.90 0.01 0.00 0.36 0.00 0.00 54.97 56.22 3kl9 s GLU 38 Cb 0.10 0.32 0.10 0.00 0.26 0.00 0.00 34.13 34.92 3kl9 s GLU 38 CO 0.82 -0.10 0.08 0.08 -0.54 0.00 0.00 175.26 175.61 3kl9 s VAL 39 N 0.48 2.64 0.63 3.70 1.01 -1.26 0.47 120.40 128.07 3kl9 s VAL 39 Ca -0.01 -2.15 0.04 0.00 0.00 0.00 0.00 61.98 59.86 3kl9 s VAL 39 Cb -0.05 -2.84 0.10 0.00 0.00 0.00 0.00 36.38 33.59 3kl9 s VAL 39 CO -0.01 -0.56 0.87 0.68 0.00 0.00 0.00 175.10 176.08 3kl9 s VAL 40 N 1.01 2.22 -0.17 2.92 -7.23 -0.61 -4.95 120.40 113.58 3kl9 s VAL 40 Ca 0.08 -0.80 -0.14 0.00 -1.81 0.00 0.00 61.98 59.31 3kl9 s VAL 40 Cb -0.20 -2.42 0.05 0.00 0.56 0.00 0.00 36.38 34.36 3kl9 s VAL 40 CO -0.06 0.00 0.43 0.28 -0.31 0.00 0.00 175.10 175.44 3kl9 s THR 41 N -2.87 -0.00 0.90 5.32 -1.32 -1.26 -2.05 115.64 114.35 3kl9 s THR 41 Ca 0.63 0.02 -0.14 0.00 -1.21 0.00 0.00 61.69 60.99 3kl9 s THR 41 Cb -0.06 -0.61 0.20 0.00 -1.51 0.00 0.00 72.50 70.52 3kl9 s THR 41 CO 0.41 0.01 1.22 -0.90 -2.21 0.00 0.00 174.62 173.15 3kl9 n ASP 42 N 3.10 0.26 0.23 8.08 5.68 -0.30 -4.96 116.55 128.64 3kl9 n ASP 42 Ca -0.15 -1.54 0.15 0.00 -0.50 0.00 0.00 54.79 52.75 3kl9 n ASP 42 Cb 0.57 -0.92 0.59 0.00 -1.14 0.00 0.00 41.12 40.22 3kl9 n ASP 42 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3kl9 h GLY 43 N -1.52 0.00 -0.09 6.12 0.00 -1.93 -3.18 103.07 102.48 3kl9 h GLY 43 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3kl9 h GLY 43 CO 0.30 0.00 -0.66 1.04 0.00 0.00 0.00 176.54 177.21 3kl9 n LEU 44 N -2.84 0.82 0.00 3.11 4.32 -1.26 -5.00 117.00 116.14 3kl9 n LEU 44 Ca 0.01 -0.53 0.00 0.00 -0.02 0.00 0.00 56.01 55.47 3kl9 n LEU 44 Cb 0.30 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 3kl9 n LEU 44 CO 0.26 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.23 3kl9 n GLY 45 N 1.33 1.05 3.76 -0.72 0.00 -1.20 -4.96 105.19 104.44 3kl9 n GLY 45 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3kl9 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 46 N -0.68 2.69 -0.08 -0.02 0.00 -1.26 -4.83 107.32 103.13 3kl9 s GLY 46 Ca 0.00 1.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.97 3kl9 s GLY 46 CO 0.00 2.06 -0.01 -0.42 0.00 0.00 0.00 173.10 174.74 3kl9 s ILE 47 N -0.56 4.25 -0.06 0.90 1.09 -1.17 -1.15 121.20 124.50 3kl9 s ILE 47 Ca 0.54 -0.27 -0.03 0.00 -1.10 0.00 0.00 60.65 59.78 3kl9 s ILE 47 Cb -0.40 -2.78 0.03 0.00 -1.06 0.00 0.00 42.46 38.25 3kl9 s ILE 47 CO 0.47 0.60 0.14 -0.36 -0.10 0.00 0.00 174.94 175.70 3kl9 s PHE 48 N -0.86 -0.16 -0.04 3.97 0.40 -0.87 -1.86 117.98 118.56 3kl9 s PHE 48 Ca 0.13 0.44 -0.15 0.00 -0.60 0.00 0.00 56.93 56.75 3kl9 s PHE 48 Cb -0.11 -0.04 -0.05 0.00 0.51 0.00 0.00 43.02 43.32 3kl9 s PHE 48 CO 0.02 -0.14 0.40 0.20 0.70 0.00 0.00 175.22 176.41 3kl9 s GLY 49 N 0.82 2.43 -0.21 4.36 0.00 0.47 -1.58 107.32 113.61 3kl9 s GLY 49 Ca -0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 44.72 44.34 3kl9 s GLY 49 CO -0.04 0.27 0.05 -0.42 0.00 0.00 0.00 173.10 172.96 3kl9 s ILE 50 N -0.61 4.37 -0.47 0.90 1.01 0.18 -1.03 121.20 125.55 3kl9 s ILE 50 Ca 0.23 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.67 3kl9 s ILE 50 Cb -0.16 -3.00 0.12 0.00 0.01 0.00 0.00 42.46 39.44 3kl9 s ILE 50 CO 0.11 0.41 0.29 -0.75 0.00 0.00 0.00 174.94 175.00 3kl9 s LYS 51 N 0.99 2.25 0.38 2.79 2.20 0.44 -1.21 119.74 127.57 3kl9 s LYS 51 Ca 0.03 -1.93 -0.28 0.00 -0.36 0.00 0.00 55.97 53.43 3kl9 s LYS 51 Cb -0.14 -3.72 -0.10 0.00 -1.51 0.00 0.00 37.83 32.36 3kl9 s LYS 51 CO 0.03 -1.13 1.43 -1.01 -0.36 0.00 0.00 175.35 174.31 3kl9 s HIS 52 N 0.99 2.68 -0.09 4.03 3.76 -1.26 -2.05 115.29 123.35 3kl9 s HIS 52 Ca 0.09 1.25 -0.01 0.00 -0.15 0.00 0.00 55.06 56.24 3kl9 s HIS 52 Cb -0.23 -3.92 -0.03 0.00 1.11 0.00 0.00 32.58 29.51 3kl9 s HIS 52 CO -0.03 -2.70 -0.02 0.45 -0.85 0.00 0.00 174.74 171.59 3kl9 s SER 53 N -0.31 5.01 0.52 1.40 0.15 -1.26 -4.84 113.70 114.38 3kl9 s SER 53 Ca 0.53 0.07 0.31 0.00 0.70 0.00 0.00 55.95 57.56 3kl9 s SER 53 Cb -0.44 -1.41 1.18 0.00 -1.71 0.00 0.00 66.02 63.65 3kl9 s SER 53 CO 0.59 0.35 1.92 -0.33 1.20 0.00 0.00 173.24 176.97 3kl9 h GLU 54 N 5.33 0.00 -7.13 5.44 5.08 -1.93 -3.46 114.58 117.91 3kl9 h GLU 54 Ca -0.48 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.33 3kl9 h GLU 54 Cb 1.19 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.59 3kl9 h GLU 54 CO 0.55 0.04 0.47 0.00 -1.00 0.00 0.00 179.01 179.07 3kl9 s ALA 55 N -3.62 2.28 0.00 3.43 0.00 -1.26 -5.00 121.76 117.59 3kl9 s ALA 55 Ca 0.02 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3kl9 s ALA 55 Cb 0.09 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3kl9 s ALA 55 CO 0.57 -1.71 0.27 0.28 0.00 0.00 0.00 175.76 175.18 3kl9 n VAL 56 N -2.19 0.00 -0.91 0.00 0.31 -1.26 -3.74 118.33 110.53 3kl9 n VAL 56 Ca 0.15 0.75 -0.20 0.00 -0.01 0.00 0.00 64.34 65.02 3kl9 n VAL 56 Cb 0.49 -1.70 0.06 0.00 -0.91 0.00 0.00 33.84 31.78 3kl9 n VAL 56 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3kl9 n ASP 57 N -1.90 6.30 -4.67 4.52 2.03 -1.26 -4.98 116.55 116.59 3kl9 n ASP 57 Ca 0.00 -3.21 -0.45 0.00 0.52 0.00 0.00 54.79 51.65 3kl9 n ASP 57 Cb 0.00 -0.99 -0.04 0.00 -0.72 0.00 0.00 41.12 39.37 3kl9 n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kl9 n ALA 58 N -0.06 1.33 -1.76 -1.67 0.00 -1.25 -4.77 120.51 112.34 3kl9 n ALA 58 Ca 0.38 0.26 -0.40 0.00 0.00 0.00 0.00 53.44 53.69 3kl9 n ALA 58 Cb 0.69 -2.59 -0.05 0.00 0.00 0.00 0.00 19.45 17.51 3kl9 n ALA 58 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kl9 s PRO 59 N 4.03 4.64 -0.06 0.00 0.04 -1.26 -4.53 135.00 137.87 3kl9 s PRO 59 Ca 0.90 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 63.30 3kl9 s PRO 59 Cb -0.56 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 3kl9 s PRO 59 CO 0.46 0.26 1.34 1.03 0.04 0.00 0.00 177.00 180.12 3kl9 s ARG 60 N -1.54 4.28 -0.15 4.56 0.52 -1.26 -1.22 118.95 124.14 3kl9 s ARG 60 Ca 0.45 1.84 -0.01 0.00 -0.52 0.00 0.00 55.73 57.50 3kl9 s ARG 60 Cb -0.28 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.53 3kl9 s ARG 60 CO 0.36 -0.59 -0.12 0.08 0.02 0.00 0.00 175.30 175.04 3kl9 s VAL 61 N 2.74 3.00 -0.18 3.52 1.01 -0.30 -0.31 120.40 129.88 3kl9 s VAL 61 Ca 0.61 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 3kl9 s VAL 61 Cb -0.28 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3kl9 s VAL 61 CO 0.23 0.51 0.01 -0.22 0.00 0.00 0.00 175.10 175.63 3kl9 s LEU 62 N 0.68 3.45 -0.23 3.92 2.96 -0.88 -0.23 118.68 128.34 3kl9 s LEU 62 Ca -0.06 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3kl9 s LEU 62 Cb -0.15 -1.86 0.05 0.00 0.50 0.00 0.00 46.19 44.72 3kl9 s LEU 62 CO 0.02 0.13 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.36 3kl9 s VAL 63 N 0.61 2.06 -0.06 1.68 1.01 0.13 -0.25 120.40 125.59 3kl9 s VAL 63 Ca 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.60 3kl9 s VAL 63 Cb -0.14 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.15 3kl9 s VAL 63 CO 0.02 0.12 -0.10 0.00 0.00 0.00 0.00 175.10 175.14 3kl9 s ALA 64 N 1.19 1.05 0.11 5.51 0.00 -0.43 -0.40 121.76 128.78 3kl9 s ALA 64 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3kl9 s ALA 64 Cb -0.18 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.43 3kl9 s ALA 64 CO -0.07 0.08 0.00 -1.13 0.00 0.00 0.00 175.76 174.64 3kl9 n SER 65 N 3.87 0.00 -3.79 0.00 3.41 -0.65 0.25 113.62 116.71 3kl9 n SER 65 Ca -0.24 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.25 3kl9 n SER 65 Cb 0.51 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 3kl9 n SER 65 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3kl9 s HIS 66 N 2.08 -0.23 -0.01 7.33 -3.43 -1.26 0.84 115.29 120.60 3kl9 s HIS 66 Ca 0.00 0.54 0.10 0.00 -0.80 0.00 0.00 55.06 54.90 3kl9 s HIS 66 Cb 0.00 0.08 -0.23 0.00 -1.43 0.00 0.00 32.58 31.00 3kl9 s HIS 66 CO 0.00 -0.20 0.77 0.52 -2.00 0.00 0.00 174.74 173.83 3kl9 h MET 67 N 5.23 0.02 -7.21 -0.38 2.86 -1.31 -3.41 114.93 110.73 3kl9 h MET 67 Ca -0.27 -0.04 -0.50 0.00 -2.06 0.00 0.00 59.70 56.83 3kl9 h MET 67 Cb 1.19 0.01 0.07 0.00 0.06 0.00 0.00 31.60 32.94 3kl9 h MET 67 CO 0.36 0.64 0.38 0.16 1.06 0.00 0.00 176.91 179.50 3kl9 s ASP 68 N -6.28 5.65 0.21 1.22 -4.77 -1.26 -4.84 116.67 106.59 3kl9 s ASP 68 Ca -0.05 1.81 0.09 0.00 -3.30 0.00 0.00 52.55 51.10 3kl9 s ASP 68 Cb 0.08 -2.53 -0.05 0.00 -1.09 0.00 0.00 42.92 39.34 3kl9 s ASP 68 CO 0.82 -1.26 -0.16 -1.83 0.70 0.00 0.00 175.17 173.44 3kl9 s GLU 69 N -4.20 1.37 0.45 2.11 -1.05 -0.31 -4.22 118.70 112.85 3kl9 s GLU 69 Ca 0.63 -1.58 -0.24 0.00 -0.15 0.00 0.00 54.97 53.63 3kl9 s GLU 69 Cb -0.16 -1.26 -0.07 0.00 -0.44 0.00 0.00 34.13 32.20 3kl9 s GLU 69 CO 0.40 0.22 1.26 0.14 0.95 0.00 0.00 175.26 178.23 3kl9 s VAL 70 N -2.71 2.70 0.00 1.83 -7.23 -1.26 -3.71 120.40 110.01 3kl9 s VAL 70 Ca 0.22 0.57 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 3kl9 s VAL 70 Cb -0.02 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.61 3kl9 s VAL 70 CO 0.08 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.52 3kl9 n GLY 71 N 0.61 2.65 3.20 2.32 0.00 -0.21 -4.59 105.19 109.16 3kl9 n GLY 71 Ca 0.06 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 3kl9 n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl9 s PHE 72 N -0.98 1.05 0.00 1.61 0.40 -0.13 -0.77 117.98 119.16 3kl9 s PHE 72 Ca 0.00 -1.16 0.00 0.00 -0.60 0.00 0.00 56.93 55.18 3kl9 s PHE 72 Cb 0.00 -0.59 -0.00 0.00 0.51 0.00 0.00 43.02 42.94 3kl9 s PHE 72 CO 0.00 -0.40 -0.01 1.41 0.70 0.00 0.00 175.22 176.92 3kl9 s MET 73 N -4.00 0.10 -0.11 0.44 1.75 -0.44 0.19 119.30 117.23 3kl9 s MET 73 Ca 0.25 -0.07 -0.29 0.00 -1.25 0.00 0.00 55.69 54.33 3kl9 s MET 73 Cb 0.07 -0.08 -0.04 0.00 2.84 0.00 0.00 34.83 37.62 3kl9 s MET 73 CO 0.04 0.02 1.49 0.08 -0.65 0.00 0.00 175.02 176.00 3kl9 s VAL 74 N -0.09 3.87 -0.13 10.11 1.01 -0.59 -0.14 120.40 134.44 3kl9 s VAL 74 Ca -0.00 1.05 0.19 0.00 0.00 0.00 0.00 61.98 63.22 3kl9 s VAL 74 Cb -0.01 -3.69 -0.20 0.00 0.00 0.00 0.00 36.38 32.48 3kl9 s VAL 74 CO -0.00 -0.11 0.58 -1.54 0.00 0.00 0.00 175.10 174.03 3kl9 n SER 75 N 6.98 0.44 -3.50 3.32 3.41 -0.07 -0.51 113.62 123.69 3kl9 n SER 75 Ca 0.16 0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.87 3kl9 n SER 75 Cb 0.44 0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 65.23 3kl9 n SER 75 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3kl9 s GLU 76 N -3.02 0.85 -0.31 4.33 -1.05 -1.15 -4.89 118.70 113.46 3kl9 s GLU 76 Ca -0.06 -0.29 -0.08 0.00 -0.15 0.00 0.00 54.97 54.40 3kl9 s GLU 76 Cb 0.10 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 34.19 3kl9 s GLU 76 CO 0.84 -0.37 0.10 0.42 0.95 0.00 0.00 175.26 177.21 3kl9 s ILE 77 N -3.07 4.10 0.85 1.83 1.01 -1.26 -2.59 121.20 122.06 3kl9 s ILE 77 Ca 0.04 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 3kl9 s ILE 77 Cb -0.01 -3.14 0.10 0.00 0.01 0.00 0.00 42.46 39.42 3kl9 s ILE 77 CO -0.09 0.03 1.11 -0.54 0.00 0.00 0.00 174.94 175.45 3kl9 s LYS 78 N 1.51 1.61 0.54 2.79 -0.14 0.10 -4.91 119.74 121.25 3kl9 s LYS 78 Ca 0.02 1.29 0.36 0.00 -1.36 0.00 0.00 55.97 56.28 3kl9 s LYS 78 Cb -0.18 -1.81 1.73 0.00 -1.68 0.00 0.00 37.83 35.89 3kl9 s LYS 78 CO 0.03 -2.13 2.08 -1.35 -0.76 0.00 0.00 175.35 173.22 3kl9 h PRO 79 N -1.49 0.00 -0.12 -1.68 0.11 -1.96 -2.12 132.00 124.74 3kl9 h PRO 79 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kl9 h PRO 79 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kl9 h PRO 79 CO 0.48 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 3kl9 n ASP 80 N -2.90 1.23 0.00 -2.05 5.75 -1.26 -0.83 116.55 116.49 3kl9 n ASP 80 Ca -0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 3kl9 n ASP 80 Cb 0.17 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3kl9 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kl9 n GLY 81 N 1.04 1.11 3.91 6.12 0.00 -0.80 -3.75 105.19 112.83 3kl9 n GLY 81 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3kl9 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kl9 s THR 82 N -2.69 3.13 -0.00 2.61 -4.23 -1.26 -4.66 115.64 108.55 3kl9 s THR 82 Ca 0.00 0.01 0.06 0.00 -1.18 0.00 0.00 61.69 60.58 3kl9 s THR 82 Cb 0.00 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 3kl9 s THR 82 CO 0.00 -0.34 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.19 3kl9 s PHE 83 N -3.16 2.54 -0.15 3.99 0.08 0.52 0.00 117.98 121.80 3kl9 s PHE 83 Ca 0.57 -0.27 -0.06 0.00 0.12 0.00 0.00 56.93 57.29 3kl9 s PHE 83 Cb -0.11 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 3kl9 s PHE 83 CO 0.46 0.16 0.05 1.03 -0.10 0.00 0.00 175.22 176.82 3kl9 s ARG 84 N -1.00 3.64 0.47 0.44 1.81 -1.07 -1.74 118.95 121.50 3kl9 s ARG 84 Ca 0.12 -0.34 0.08 0.00 -1.72 0.00 0.00 55.73 53.88 3kl9 s ARG 84 Cb -0.10 -3.09 0.03 0.00 -0.45 0.00 0.00 34.95 31.34 3kl9 s ARG 84 CO 0.02 0.45 0.61 0.14 -0.68 0.00 0.00 175.30 175.85 3kl9 s VAL 85 N -0.15 2.67 0.05 3.52 -7.23 -1.26 -0.89 120.40 117.12 3kl9 s VAL 85 Ca 0.07 -1.05 0.06 0.00 -1.81 0.00 0.00 61.98 59.26 3kl9 s VAL 85 Cb -0.12 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 3kl9 s VAL 85 CO 0.01 0.00 -0.18 0.54 -0.31 0.00 0.00 175.10 175.17 3kl9 s VAL 86 N -2.47 1.43 0.37 1.32 0.11 0.81 -4.44 120.40 117.53 3kl9 s VAL 86 Ca 0.56 -1.18 -0.25 0.00 -2.93 0.00 0.00 61.98 58.18 3kl9 s VAL 86 Cb -0.08 -1.27 -0.09 0.00 -1.53 0.00 0.00 36.38 33.40 3kl9 s VAL 86 CO 0.34 0.06 1.02 -1.83 -3.33 0.00 0.00 175.10 171.36 3kl9 s GLU 87 N -1.30 4.31 -0.43 1.54 -1.05 -1.26 -1.33 118.70 119.18 3kl9 s GLU 87 Ca 0.04 1.46 0.03 0.00 -0.15 0.00 0.00 54.97 56.36 3kl9 s GLU 87 Cb -0.09 -2.64 0.12 0.00 -0.44 0.00 0.00 34.13 31.09 3kl9 s GLU 87 CO 0.02 0.00 0.17 0.42 0.95 0.00 0.00 175.26 176.82 3kl9 s ILE 88 N -1.64 2.20 0.00 1.83 1.01 0.05 -4.85 121.20 119.80 3kl9 s ILE 88 Ca 0.55 -2.72 0.00 0.00 0.00 0.00 0.00 60.65 58.48 3kl9 s ILE 88 Cb -0.21 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.69 3kl9 s ILE 88 CO 0.27 -0.73 0.00 0.61 0.00 0.00 0.00 174.94 175.09 3kl9 n GLY 89 N 3.72 1.65 3.65 6.18 0.00 -1.26 -1.05 105.19 118.08 3kl9 n GLY 89 Ca 0.04 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 3kl9 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 90 N -0.33 1.59 -0.10 -0.02 0.00 -1.26 -4.84 107.32 102.36 3kl9 s GLY 90 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.87 3kl9 s GLY 90 CO 0.00 2.34 -0.10 -0.98 0.00 0.00 0.00 173.10 174.36 3kl9 s TRP 91 N 3.60 2.86 -0.23 1.90 0.52 -1.26 -4.90 118.94 121.43 3kl9 s TRP 91 Ca 0.49 -0.30 -0.29 0.00 0.02 0.00 0.00 56.10 56.02 3kl9 s TRP 91 Cb -0.16 -1.79 0.00 0.00 -1.15 0.00 0.00 33.47 30.38 3kl9 s TRP 91 CO 0.14 0.05 1.11 1.21 0.02 0.00 0.00 176.95 179.48 3kl9 s ASN 92 N -0.18 7.01 0.66 2.95 3.84 -1.26 -4.92 114.94 123.05 3kl9 s ASN 92 Ca 0.01 1.39 0.36 0.00 0.21 0.00 0.00 52.86 54.83 3kl9 s ASN 92 Cb -0.13 -2.54 1.97 0.00 -0.55 0.00 0.00 41.25 40.00 3kl9 s ASN 92 CO 0.03 -0.75 2.12 -0.65 -2.79 0.00 0.00 177.10 175.07 3kl9 h PRO 93 N 7.83 0.00 -0.90 0.43 0.11 -1.98 -1.82 132.00 135.67 3kl9 h PRO 93 Ca -0.21 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.92 3kl9 h PRO 93 Cb 1.07 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 3kl9 h PRO 93 CO 0.99 0.00 0.59 0.52 -0.21 0.00 0.00 178.00 179.89 3kl9 h MET 94 N 0.00 1.13 -0.01 1.05 2.86 -1.92 -3.07 114.93 114.96 3kl9 h MET 94 Ca 0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3kl9 h MET 94 Cb 0.38 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3kl9 h MET 94 CO -0.00 0.74 -0.29 1.33 1.06 0.00 0.00 176.91 179.75 3kl9 n VAL 95 N -4.43 0.00 0.04 -2.22 0.24 -0.68 -4.46 118.33 106.82 3kl9 n VAL 95 Ca 0.11 -0.15 -0.20 0.00 -2.04 0.00 0.00 64.34 62.06 3kl9 n VAL 95 Cb 0.07 0.55 -0.11 0.00 -1.47 0.00 0.00 33.84 32.88 3kl9 n VAL 95 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3kl9 h VAL 96 N 1.44 1.33 -4.01 3.34 2.07 -1.64 -3.46 116.25 115.31 3kl9 h VAL 96 Ca 0.00 -2.22 -0.53 0.00 0.82 0.00 0.00 66.70 64.77 3kl9 h VAL 96 Cb 0.55 2.49 0.10 0.00 -1.52 0.00 0.00 31.29 32.91 3kl9 h VAL 96 CO 0.00 0.67 0.56 -0.44 0.02 0.00 0.00 177.57 178.39 3kl9 s SER 97 N -7.14 5.84 -1.09 0.57 0.01 -1.26 -3.95 113.70 106.67 3kl9 s SER 97 Ca -0.11 2.56 -0.14 0.00 1.31 0.00 0.00 55.95 59.58 3kl9 s SER 97 Cb 0.06 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 3kl9 s SER 97 CO 0.89 -1.17 0.86 -1.20 0.41 0.00 0.00 173.24 173.04 3kl9 n SER 98 N -0.57 -5.98 -4.15 2.44 7.64 -0.91 -4.99 113.62 107.10 3kl9 n SER 98 Ca 0.08 -0.86 -0.19 0.00 1.01 0.00 0.00 58.87 58.90 3kl9 n SER 98 Cb 0.46 -4.29 -0.13 0.00 -1.01 0.00 0.00 64.21 59.24 3kl9 n SER 98 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3kl9 s GLN 99 N -5.19 0.85 0.08 1.43 -1.52 -1.24 -4.94 119.66 109.12 3kl9 s GLN 99 Ca 0.47 -0.84 -0.16 0.00 -1.95 0.00 0.00 55.36 52.87 3kl9 s GLN 99 Cb -0.12 -0.85 -0.06 0.00 -0.22 0.00 0.00 33.01 31.76 3kl9 s GLN 99 CO 0.80 0.20 0.52 1.03 -0.25 0.00 0.00 175.29 177.58 3kl9 s ARG 100 N -1.43 4.05 0.31 2.91 0.52 -1.26 -1.49 118.95 122.55 3kl9 s ARG 100 Ca -0.01 0.56 0.03 0.00 -0.52 0.00 0.00 55.73 55.80 3kl9 s ARG 100 Cb -0.09 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 3kl9 s ARG 100 CO 0.02 0.60 0.17 -0.06 0.02 0.00 0.00 175.30 176.05 3kl9 s PHE 101 N -1.22 1.61 -0.14 -0.53 0.08 0.12 -1.01 117.98 116.89 3kl9 s PHE 101 Ca 0.30 -1.40 0.02 0.00 0.12 0.00 0.00 56.93 55.97 3kl9 s PHE 101 Cb -0.17 -0.85 0.02 0.00 -0.57 0.00 0.00 43.02 41.45 3kl9 s PHE 101 CO 0.18 -0.55 -0.18 0.15 -0.10 0.00 0.00 175.22 174.72 3kl9 s LYS 102 N -3.79 2.59 -0.19 0.44 1.02 0.60 -2.53 119.74 117.88 3kl9 s LYS 102 Ca 0.36 -0.69 -0.20 0.00 0.02 0.00 0.00 55.97 55.45 3kl9 s LYS 102 Cb 0.05 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 3kl9 s LYS 102 CO 0.18 -0.10 0.61 -1.17 -0.92 0.00 0.00 175.35 173.94 3kl9 s LEU 103 N 1.08 4.15 -0.32 3.17 0.20 0.54 -0.25 118.68 127.25 3kl9 s LEU 103 Ca -0.03 0.81 -0.10 0.00 0.69 0.00 0.00 54.13 55.50 3kl9 s LEU 103 Cb -0.14 -2.85 -0.01 0.00 -0.43 0.00 0.00 46.19 42.76 3kl9 s LEU 103 CO -0.05 -0.25 0.18 -0.76 -0.29 0.00 0.00 176.35 175.18 3kl9 s LEU 104 N 1.81 4.26 0.65 -0.68 1.02 0.12 -0.97 118.68 124.88 3kl9 s LEU 104 Ca 0.28 -0.54 -0.14 0.00 0.02 0.00 0.00 54.13 53.74 3kl9 s LEU 104 Cb -0.16 -2.04 -0.01 0.00 0.02 0.00 0.00 46.19 44.01 3kl9 s LEU 104 CO 0.10 -0.22 1.08 -0.89 0.02 0.00 0.00 176.35 176.44 3kl9 s THR 105 N 1.63 3.59 0.17 5.49 2.01 -0.56 -3.39 115.64 124.58 3kl9 s THR 105 Ca 0.05 0.69 -0.15 0.00 0.31 0.00 0.00 61.69 62.59 3kl9 s THR 105 Cb -0.17 -3.24 0.08 0.00 0.01 0.00 0.00 72.50 69.17 3kl9 s THR 105 CO 0.07 -0.50 1.71 -0.09 -0.69 0.00 0.00 174.62 175.13 3kl9 h ARG 106 N 0.00 0.18 -0.99 4.92 2.43 -1.90 -2.31 114.38 116.71 3kl9 h ARG 106 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3kl9 h ARG 106 Cb 1.23 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3kl9 h ARG 106 CO 0.56 0.12 0.00 -0.40 -1.51 0.00 0.00 179.97 178.73 3kl9 n ASP 107 N -5.13 1.24 0.00 -3.80 5.68 -1.26 -4.89 116.55 108.39 3kl9 n ASP 107 Ca 0.03 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 3kl9 n ASP 107 Cb 0.21 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 3kl9 n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kl9 n GLY 108 N 0.07 1.86 3.77 6.12 0.00 -0.87 -5.03 105.19 111.11 3kl9 n GLY 108 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3kl9 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kl9 s HIS 109 N -3.26 2.65 -0.34 1.61 3.76 -1.26 -4.81 115.29 113.64 3kl9 s HIS 109 Ca 0.00 1.32 -0.02 0.00 -0.15 0.00 0.00 55.06 56.21 3kl9 s HIS 109 Cb 0.00 -3.82 0.08 0.00 1.11 0.00 0.00 32.58 29.95 3kl9 s HIS 109 CO 0.00 -2.54 0.08 -1.21 -0.85 0.00 0.00 174.74 170.22 3kl9 s GLU 110 N -2.28 2.21 -0.16 1.40 2.02 -1.26 -1.50 118.70 119.12 3kl9 s GLU 110 Ca 0.58 -1.51 -0.06 0.00 0.02 0.00 0.00 54.97 54.00 3kl9 s GLU 110 Cb -0.42 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 3kl9 s GLU 110 CO 0.54 -0.81 0.02 0.96 0.02 0.00 0.00 175.26 175.99 3kl9 s ILE 111 N 1.19 4.42 0.18 -1.63 -5.25 -0.15 -4.91 121.20 115.05 3kl9 s ILE 111 Ca 0.01 -0.17 -0.31 0.00 -0.99 0.00 0.00 60.65 59.19 3kl9 s ILE 111 Cb -0.21 -2.96 -0.09 0.00 2.95 0.00 0.00 42.46 42.15 3kl9 s ILE 111 CO -0.03 0.49 1.47 -2.84 -1.79 0.00 0.00 174.94 172.24 3kl9 s PRO 112 N 0.24 4.27 -0.01 0.37 0.02 -1.26 -0.34 135.00 138.29 3kl9 s PRO 112 Ca 0.01 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.29 3kl9 s PRO 112 Cb -0.13 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.23 3kl9 s PRO 112 CO 0.01 -0.48 -0.02 0.08 -0.33 0.00 0.00 177.00 176.26 3kl9 s VAL 113 N 0.71 0.17 0.18 3.83 1.01 -1.05 -4.50 120.40 120.74 3kl9 s VAL 113 Ca 0.64 -0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.68 3kl9 s VAL 113 Cb -0.41 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3kl9 s VAL 113 CO 0.35 0.07 -0.20 0.27 0.00 0.00 0.00 175.10 175.59 3kl9 s ILE 114 N 0.22 2.59 0.11 2.22 -4.36 0.23 0.13 121.20 122.35 3kl9 s ILE 114 Ca -0.02 -1.87 -0.18 0.00 -0.26 0.00 0.00 60.65 58.32 3kl9 s ILE 114 Cb -0.04 -2.24 -0.07 0.00 1.25 0.00 0.00 42.46 41.36 3kl9 s ILE 114 CO -0.01 -0.08 0.59 -0.94 0.24 0.00 0.00 174.94 174.74 3kl9 s SER 115 N -2.60 7.00 -0.19 4.36 1.04 -0.56 0.36 113.70 123.11 3kl9 s SER 115 Ca 0.21 1.24 0.01 0.00 0.48 0.00 0.00 55.95 57.88 3kl9 s SER 115 Cb -0.09 -2.35 -0.21 0.00 0.10 0.00 0.00 66.02 63.47 3kl9 s SER 115 CO 0.11 0.20 0.06 0.61 0.98 0.00 0.00 173.24 175.20 3kl9 n GLY 116 N 1.34 -0.52 0.00 7.32 0.00 0.20 -2.15 105.19 111.38 3kl9 n GLY 116 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3kl9 n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kl9 n PRO 132 N -3.29 0.00 -2.72 1.61 -0.04 -1.26 -2.55 135.00 126.75 3kl9 n PRO 132 Ca -0.38 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.66 3kl9 n PRO 132 Cb 1.03 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.46 3kl9 n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kl9 s ALA 133 N 0.00 3.18 0.28 0.55 0.00 -1.26 -4.89 121.76 119.62 3kl9 s ALA 133 Ca 0.00 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.53 3kl9 s ALA 133 Cb 0.00 -3.32 0.62 0.00 0.00 0.00 0.00 23.12 20.42 3kl9 s ALA 133 CO 0.00 -0.19 1.78 0.82 0.00 0.00 0.00 175.76 178.17 3kl9 h ILE 134 N 4.65 0.74 0.00 0.00 2.04 -1.96 0.97 117.51 123.95 3kl9 h ILE 134 Ca -0.41 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3kl9 h ILE 134 Cb 1.22 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3kl9 h ILE 134 CO 0.74 0.13 0.00 0.00 0.00 0.00 0.00 178.15 179.03 3kl9 n ALA 135 N -2.38 1.65 1.04 1.87 0.00 -1.26 -2.02 120.51 119.41 3kl9 n ALA 135 Ca 0.20 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.75 3kl9 n ALA 135 Cb 0.49 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.70 3kl9 n ALA 135 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kl9 n ASP 136 N -1.74 1.52 -4.68 0.00 8.00 0.32 -4.69 116.55 115.28 3kl9 n ASP 136 Ca 0.03 -1.21 -0.42 0.00 0.71 0.00 0.00 54.79 53.91 3kl9 n ASP 136 Cb 0.19 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.78 3kl9 n ASP 136 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kl9 s ILE 137 N -2.64 4.82 0.17 0.53 1.01 -0.86 -4.99 121.20 119.25 3kl9 s ILE 137 Ca 0.16 1.82 -0.31 0.00 0.00 0.00 0.00 60.65 62.32 3kl9 s ILE 137 Cb 0.18 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 3kl9 s ILE 137 CO 0.64 -0.00 1.47 -0.69 0.00 0.00 0.00 174.94 176.36 3kl9 s VAL 138 N 2.22 2.87 -0.14 2.92 1.01 -1.26 -4.54 120.40 123.48 3kl9 s VAL 138 Ca 0.42 0.65 0.01 0.00 0.00 0.00 0.00 61.98 63.06 3kl9 s VAL 138 Cb -0.17 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3kl9 s VAL 138 CO 0.13 0.06 -0.18 -0.36 0.00 0.00 0.00 175.10 174.76 3kl9 s PHE 139 N 0.85 2.72 -0.10 5.22 0.40 -0.71 -0.63 117.98 125.73 3kl9 s PHE 139 Ca 0.66 -1.08 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 3kl9 s PHE 139 Cb -0.41 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.30 3kl9 s PHE 139 CO 0.34 -0.47 -0.17 0.34 0.70 0.00 0.00 175.22 175.95 3kl9 s ASP 140 N 0.69 2.52 0.00 1.36 3.68 0.16 -0.36 116.67 124.71 3kl9 s ASP 140 Ca -0.09 -0.45 0.09 0.00 2.13 0.00 0.00 52.55 54.23 3kl9 s ASP 140 Cb -0.16 -1.14 0.23 0.00 -1.45 0.00 0.00 42.92 40.40 3kl9 s ASP 140 CO 0.02 0.05 1.16 0.61 0.13 0.00 0.00 175.17 177.14 3kl9 n GLY 141 N 3.99 2.48 2.49 2.66 0.00 -1.26 -0.60 105.19 114.95 3kl9 n GLY 141 Ca -0.20 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 3kl9 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl9 n GLY 142 N 0.34 0.12 3.90 -0.02 0.00 -1.26 -4.95 105.19 103.32 3kl9 n GLY 142 Ca 0.09 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3kl9 n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl9 s PHE 143 N -3.01 3.46 0.10 1.61 0.40 -1.26 -5.03 117.98 114.25 3kl9 s PHE 143 Ca 0.23 0.19 -0.15 0.00 -0.60 0.00 0.00 56.93 56.60 3kl9 s PHE 143 Cb -0.10 -1.72 -0.07 0.00 0.51 0.00 0.00 43.02 41.64 3kl9 s PHE 143 CO 0.28 0.56 1.46 0.00 0.70 0.00 0.00 175.22 178.23 3kl9 h ALA 144 N 2.90 0.44 -2.68 5.36 0.00 -1.93 -3.41 119.26 119.93 3kl9 h ALA 144 Ca -0.46 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 3kl9 h ALA 144 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3kl9 h ALA 144 CO 0.73 0.38 0.06 -0.40 0.00 0.00 0.00 179.25 180.02 3kl9 n ASP 145 N -4.34 -0.89 -0.05 0.00 3.85 -1.25 -4.50 116.55 109.37 3kl9 n ASP 145 Ca -0.03 -1.75 -0.09 0.00 -0.71 0.00 0.00 54.79 52.21 3kl9 n ASP 145 Cb 0.41 1.53 -0.02 0.00 -1.35 0.00 0.00 41.12 41.68 3kl9 n ASP 145 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 3kl9 h LYS 146 N 0.00 0.17 -0.59 0.11 3.64 -1.09 -3.05 116.57 115.75 3kl9 h LYS 146 Ca -0.14 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3kl9 h LYS 146 Cb 0.54 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 3kl9 h LYS 146 CO 0.18 0.11 0.30 0.00 -2.27 0.00 0.00 179.45 177.78 3kl9 h ALA 147 N 1.13 0.78 -0.91 5.00 0.00 -1.91 -2.01 119.26 121.34 3kl9 h ALA 147 Ca 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kl9 h ALA 147 Cb 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3kl9 h ALA 147 CO -0.10 -0.04 0.51 1.49 0.00 0.00 0.00 179.25 181.10 3kl9 h GLU 148 N 0.57 1.26 -0.34 0.00 4.81 -1.95 0.12 114.58 119.05 3kl9 h GLU 148 Ca 0.27 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 3kl9 h GLU 148 Cb 0.20 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3kl9 h GLU 148 CO -0.19 0.91 -0.08 0.00 -0.73 0.00 0.00 179.01 178.93 3kl9 h ALA 149 N 1.29 0.46 -0.44 2.92 0.00 -1.41 -2.77 119.26 119.31 3kl9 h ALA 149 Ca 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kl9 h ALA 149 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kl9 h ALA 149 CO -0.05 0.30 0.10 0.93 0.00 0.00 0.00 179.25 180.53 3kl9 h GLU 150 N 0.43 0.66 0.00 0.00 5.08 -0.95 -1.28 114.58 118.52 3kl9 h GLU 150 Ca 0.09 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kl9 h GLU 150 Cb 0.57 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kl9 h GLU 150 CO 0.03 0.60 0.00 -1.13 -1.00 0.00 0.00 179.01 177.51 3kl9 n SER 151 N -4.31 0.14 -1.25 1.42 3.41 0.39 -0.37 113.62 113.06 3kl9 n SER 151 Ca 0.03 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 3kl9 n SER 151 Cb 0.20 -0.57 0.29 0.00 -0.26 0.00 0.00 64.21 63.87 3kl9 n SER 151 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3kl9 n PHE 152 N -1.66 1.01 -0.71 7.33 3.01 -0.50 -4.93 117.46 121.01 3kl9 n PHE 152 Ca 0.03 -0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.03 3kl9 n PHE 152 Cb 0.16 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 3kl9 n PHE 152 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kl9 n GLY 153 N 1.29 0.66 3.72 1.37 0.00 0.51 -4.96 105.19 107.78 3kl9 n GLY 153 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3kl9 n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl9 s ILE 154 N -2.13 4.77 0.07 -0.61 1.01 -1.13 -4.55 121.20 118.63 3kl9 s ILE 154 Ca 0.00 2.03 0.01 0.00 0.00 0.00 0.00 60.65 62.69 3kl9 s ILE 154 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 3kl9 s ILE 154 CO 0.00 0.21 -0.05 -0.13 0.00 0.00 0.00 174.94 174.97 3kl9 s ARG 155 N 0.70 0.65 0.36 2.79 1.81 -1.26 -4.23 118.95 119.78 3kl9 s ARG 155 Ca 0.50 -1.12 -0.26 0.00 -1.72 0.00 0.00 55.73 53.12 3kl9 s ARG 155 Cb -0.22 -0.05 -0.12 0.00 -0.45 0.00 0.00 34.95 34.12 3kl9 s ARG 155 CO 0.28 -0.04 1.11 -2.30 -0.68 0.00 0.00 175.30 173.67 3kl9 n PRO 156 N 0.43 1.63 0.00 3.54 -0.02 -1.26 -2.33 135.00 136.99 3kl9 n PRO 156 Ca -0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3kl9 n PRO 156 Cb 0.59 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3kl9 n PRO 156 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kl9 n GLY 157 N 1.04 1.95 3.74 -1.23 0.00 0.33 -4.99 105.19 106.03 3kl9 n GLY 157 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3kl9 n GLY 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kl9 s ASP 158 N -1.45 4.96 -0.17 1.61 1.01 -0.98 -4.68 116.67 116.98 3kl9 s ASP 158 Ca 0.00 2.68 -0.10 0.00 0.71 0.00 0.00 52.55 55.84 3kl9 s ASP 158 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3kl9 s ASP 158 CO 0.00 -1.77 0.16 0.28 0.21 0.00 0.00 175.17 174.06 3kl9 s THR 159 N -1.36 5.41 -0.30 -1.27 -1.32 -1.22 -1.55 115.64 114.04 3kl9 s THR 159 Ca 0.77 0.27 -0.01 0.00 -1.21 0.00 0.00 61.69 61.51 3kl9 s THR 159 Cb -0.39 -3.48 0.05 0.00 -1.51 0.00 0.00 72.50 67.17 3kl9 s THR 159 CO 0.43 0.48 -0.01 -0.63 -2.21 0.00 0.00 174.62 172.68 3kl9 s ILE 160 N -0.01 2.87 -0.13 5.08 1.01 0.13 0.10 121.20 130.25 3kl9 s ILE 160 Ca 0.11 -1.44 -0.05 0.00 0.00 0.00 0.00 60.65 59.28 3kl9 s ILE 160 Cb -0.12 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3kl9 s ILE 160 CO 0.01 -0.11 0.05 -0.69 0.00 0.00 0.00 174.94 174.20 3kl9 s VAL 161 N 1.23 4.69 0.23 2.92 1.01 0.65 -0.95 120.40 130.18 3kl9 s VAL 161 Ca -0.06 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3kl9 s VAL 161 Cb -0.20 -3.04 -0.15 0.00 0.00 0.00 0.00 36.38 33.00 3kl9 s VAL 161 CO -0.02 0.56 1.08 -2.65 0.00 0.00 0.00 175.10 174.07 3kl9 n PRO 162 N 2.59 1.25 -3.65 2.72 -0.02 -1.26 -0.29 135.00 136.34 3kl9 n PRO 162 Ca -0.18 0.44 -0.40 0.00 -2.02 0.00 0.00 63.50 61.34 3kl9 n PRO 162 Cb 0.53 -1.87 -0.11 0.00 -0.02 0.00 0.00 33.50 32.03 3kl9 n PRO 162 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kl9 s ASP 163 N -0.29 5.58 -0.23 2.55 2.15 -0.18 -4.70 116.67 121.54 3kl9 s ASP 163 Ca 0.66 -1.18 -0.15 0.00 0.43 0.00 0.00 52.55 52.31 3kl9 s ASP 163 Cb -0.77 -1.97 0.07 0.00 -0.30 0.00 0.00 42.92 39.95 3kl9 s ASP 163 CO 0.56 -0.41 0.58 -0.55 -0.17 0.00 0.00 175.17 175.18 3kl9 s SER 164 N 1.65 -0.73 0.27 -0.34 0.15 -1.26 -4.67 113.70 108.77 3kl9 s SER 164 Ca 0.01 1.24 -0.02 0.00 0.70 0.00 0.00 55.95 57.88 3kl9 s SER 164 Cb -0.20 1.15 -0.04 0.00 -1.71 0.00 0.00 66.02 65.21 3kl9 s SER 164 CO 0.04 -0.22 0.49 -0.94 1.20 0.00 0.00 173.24 173.81 3kl9 s SER 165 N 1.23 6.39 -0.22 5.45 1.04 -1.26 -4.45 113.70 121.89 3kl9 s SER 165 Ca -0.07 0.52 -0.20 0.00 0.48 0.00 0.00 55.95 56.68 3kl9 s SER 165 Cb -0.06 -2.06 -0.02 0.00 0.10 0.00 0.00 66.02 63.98 3kl9 s SER 165 CO -0.13 -0.16 0.61 0.00 0.98 0.00 0.00 173.24 174.55 3kl9 s ALA 166 N -2.05 3.57 0.12 5.32 0.00 -1.26 -4.33 121.76 123.13 3kl9 s ALA 166 Ca 0.41 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.06 3kl9 s ALA 166 Cb -0.11 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3kl9 s ALA 166 CO 0.31 -0.62 -0.11 0.96 0.00 0.00 0.00 175.76 176.29 3kl9 s ILE 167 N 2.07 1.14 0.35 0.00 -4.36 -0.08 -4.92 121.20 115.40 3kl9 s ILE 167 Ca 0.27 -1.82 -0.26 0.00 -0.26 0.00 0.00 60.65 58.58 3kl9 s ILE 167 Cb -0.16 -1.59 -0.10 0.00 1.25 0.00 0.00 42.46 41.87 3kl9 s ILE 167 CO 0.10 -0.59 0.99 -0.76 0.24 0.00 0.00 174.94 174.92 3kl9 s LEU 168 N -2.72 4.28 0.82 0.37 1.02 -1.26 -0.90 118.68 120.29 3kl9 s LEU 168 Ca 0.11 1.94 -0.12 0.00 0.02 0.00 0.00 54.13 56.08 3kl9 s LEU 168 Cb -0.01 -4.05 0.08 0.00 0.02 0.00 0.00 46.19 42.23 3kl9 s LEU 168 CO 0.01 -0.22 1.11 0.42 0.02 0.00 0.00 176.35 177.69 3kl9 s THR 169 N -1.60 2.76 0.34 5.49 -4.23 -0.73 -4.83 115.64 112.83 3kl9 s THR 169 Ca 0.52 0.25 0.12 0.00 -1.18 0.00 0.00 61.69 61.40 3kl9 s THR 169 Cb -0.21 -3.02 0.33 0.00 1.34 0.00 0.00 72.50 70.94 3kl9 s THR 169 CO 0.26 -0.32 1.74 0.00 -0.54 0.00 0.00 174.62 175.76 3kl9 h ALA 170 N -1.17 1.90 -0.01 3.99 0.00 -1.98 -0.89 119.26 121.10 3kl9 h ALA 170 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kl9 h ALA 170 Cb 1.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kl9 h ALA 170 CO 0.61 -0.36 -0.10 0.27 0.00 0.00 0.00 179.25 179.67 3kl9 n ASN 171 N -4.83 1.04 -1.35 0.00 0.23 -1.26 -4.94 115.26 104.15 3kl9 n ASN 171 Ca 0.27 -1.10 -0.18 0.00 -0.53 0.00 0.00 54.58 53.04 3kl9 n ASN 171 Cb 0.78 0.03 -0.08 0.00 -2.08 0.00 0.00 39.78 38.44 3kl9 n ASN 171 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3kl9 n GLU 172 N -0.38 -1.39 -0.01 -3.83 1.02 -0.34 -4.78 120.64 110.92 3kl9 n GLU 172 Ca 0.16 1.12 0.09 0.00 -0.02 0.00 0.00 57.16 58.51 3kl9 n GLU 172 Cb 0.32 -5.45 -0.13 0.00 -0.02 0.00 0.00 31.44 26.16 3kl9 n GLU 172 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kl9 n LYS 173 N -2.15 0.66 -4.55 3.49 4.76 -1.26 -4.96 118.16 114.14 3kl9 n LYS 173 Ca -0.18 -0.14 -0.26 0.00 -2.87 0.00 0.00 58.31 54.87 3kl9 n LYS 173 Cb 0.62 -1.41 -0.11 0.00 -1.84 0.00 0.00 35.03 32.30 3kl9 n LYS 173 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3kl9 s ASN 174 N -3.83 3.63 0.02 4.39 0.01 -1.26 -2.18 114.94 115.72 3kl9 s ASN 174 Ca -0.04 -1.25 0.04 0.00 -0.71 0.00 0.00 52.86 50.89 3kl9 s ASN 174 Cb 0.12 -0.34 -0.01 0.00 0.41 0.00 0.00 41.25 41.43 3kl9 s ASN 174 CO 0.74 -0.30 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.29 3kl9 s ILE 175 N -2.70 0.85 -0.20 0.60 1.01 -0.35 -1.77 121.20 118.63 3kl9 s ILE 175 Ca 0.33 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 3kl9 s ILE 175 Cb 0.05 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 3kl9 s ILE 175 CO 0.16 0.05 -0.03 -0.63 0.00 0.00 0.00 174.94 174.50 3kl9 s ILE 176 N -0.61 3.61 0.37 2.92 1.01 -0.08 -2.15 121.20 126.27 3kl9 s ILE 176 Ca 0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 3kl9 s ILE 176 Cb -0.06 -2.63 0.04 0.00 0.01 0.00 0.00 42.46 39.82 3kl9 s ILE 176 CO 0.00 0.43 0.70 -0.94 0.00 0.00 0.00 174.94 175.13 3kl9 s SER 177 N 1.18 0.27 0.35 3.58 1.04 -0.59 -0.90 113.70 118.63 3kl9 s SER 177 Ca 0.03 -1.24 0.03 0.00 0.48 0.00 0.00 55.95 55.24 3kl9 s SER 177 Cb -0.14 0.80 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 3kl9 s SER 177 CO -0.00 -1.58 0.52 -1.59 0.98 0.00 0.00 173.24 171.57 3kl9 s LYS 178 N -2.54 3.28 -1.56 4.02 -2.85 -1.22 0.09 119.74 118.96 3kl9 s LYS 178 Ca 0.20 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 3kl9 s LYS 178 Cb -0.04 -2.73 0.00 0.00 -2.06 0.00 0.00 37.83 33.01 3kl9 s LYS 178 CO 0.14 0.08 0.00 0.00 0.10 0.00 0.00 175.35 175.67 3kl9 n ALA 179 N -1.74 -0.22 -0.23 0.59 0.00 -1.26 -4.75 120.51 112.90 3kl9 n ALA 179 Ca -0.03 0.24 0.14 0.00 0.00 0.00 0.00 53.44 53.79 3kl9 n ALA 179 Cb 0.57 -1.71 0.44 0.00 0.00 0.00 0.00 19.45 18.75 3kl9 n ALA 179 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3kl9 h TRP 180 N 0.00 0.67 -3.26 0.00 -0.00 -1.92 0.47 115.95 111.90 3kl9 h TRP 180 Ca -0.30 0.02 -0.61 0.00 -0.00 0.00 0.00 58.89 58.00 3kl9 h TRP 180 Cb 1.08 -0.21 -0.12 0.00 -0.00 0.00 0.00 29.16 29.91 3kl9 h TRP 180 CO 0.49 0.24 0.58 0.34 -0.00 0.00 0.00 178.44 180.10 3kl9 s ASP 181 N -5.82 6.36 -0.33 2.65 2.15 -1.26 -1.08 116.67 119.34 3kl9 s ASP 181 Ca -0.09 -0.27 0.13 0.00 0.43 0.00 0.00 52.55 52.75 3kl9 s ASP 181 Cb 0.22 -2.44 0.46 0.00 -0.30 0.00 0.00 42.92 40.85 3kl9 s ASP 181 CO 0.78 -1.21 1.08 -3.20 -0.17 0.00 0.00 175.17 172.45 3kl9 n ASN 182 N 7.46 3.11 0.27 -0.34 4.05 -0.97 -4.71 115.26 124.12 3kl9 n ASN 182 Ca 0.03 -3.06 0.17 0.00 0.45 0.00 0.00 54.58 52.17 3kl9 n ASN 182 Cb 0.48 -0.46 0.68 0.00 1.23 0.00 0.00 39.78 41.70 3kl9 n ASN 182 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 3kl9 h ARG 183 N 2.63 0.00 -0.20 1.20 2.47 -0.15 -1.40 114.38 118.92 3kl9 h ARG 183 Ca 0.10 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.87 3kl9 h ARG 183 Cb 1.20 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.45 3kl9 h ARG 183 CO 0.58 0.00 -0.44 -0.92 0.56 0.00 0.00 179.97 179.75 3kl9 h TYR 184 N 0.00 -1.27 -0.80 3.04 5.03 -1.31 0.27 116.97 121.93 3kl9 h TYR 184 Ca 0.00 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 3kl9 h TYR 184 Cb 0.49 0.59 -0.04 0.00 1.55 0.00 0.00 36.73 39.32 3kl9 h TYR 184 CO 0.00 -0.48 0.45 0.78 -1.32 0.00 0.00 178.16 177.59 3kl9 h GLY 185 N -0.46 1.17 0.83 1.82 0.00 -1.48 0.96 103.07 105.90 3kl9 h GLY 185 Ca 0.08 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3kl9 h GLY 185 CO -0.45 0.49 -0.04 -2.08 0.00 0.00 0.00 176.54 174.46 3kl9 h VAL 186 N 1.11 1.03 -0.71 4.60 2.07 -1.14 -1.94 116.25 121.26 3kl9 h VAL 186 Ca 0.28 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 3kl9 h VAL 186 Cb -0.00 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3kl9 h VAL 186 CO -0.05 0.10 0.20 0.25 0.02 0.00 0.00 177.57 178.09 3kl9 h LEU 187 N -0.28 1.05 -0.52 2.57 6.46 -0.70 -1.90 115.31 121.99 3kl9 h LEU 187 Ca -0.01 -0.22 0.07 0.00 -0.12 0.00 0.00 57.88 57.60 3kl9 h LEU 187 Cb 0.24 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 39.83 3kl9 h LEU 187 CO 0.02 0.99 0.19 -0.03 -0.62 0.00 0.00 178.44 178.99 3kl9 h MET 188 N 1.06 0.36 -0.35 1.25 4.05 -0.73 0.90 114.93 121.47 3kl9 h MET 188 Ca 0.23 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.48 3kl9 h MET 188 Cb 0.33 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 3kl9 h MET 188 CO -0.00 0.24 -0.38 0.28 0.23 0.00 0.00 176.91 177.27 3kl9 h VAL 189 N 0.37 1.28 -0.76 -5.77 2.07 -1.11 -0.82 116.25 111.50 3kl9 h VAL 189 Ca 0.25 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 3kl9 h VAL 189 Cb 0.28 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3kl9 h VAL 189 CO -0.26 0.51 0.39 -1.28 0.02 0.00 0.00 177.57 176.96 3kl9 h SER 190 N 0.68 0.98 0.25 0.57 0.87 -0.94 -2.46 113.55 113.50 3kl9 h SER 190 Ca 0.06 -0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.35 3kl9 h SER 190 Cb 0.94 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 3kl9 h SER 190 CO 0.09 0.82 -0.60 -0.33 -0.53 0.00 0.00 176.83 176.27 3kl9 h GLU 191 N 1.07 0.35 -0.50 2.24 4.39 -0.66 -3.08 114.58 118.39 3kl9 h GLU 191 Ca 0.27 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3kl9 h GLU 191 Cb 0.08 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3kl9 h GLU 191 CO -0.04 0.85 0.15 1.25 -1.16 0.00 0.00 179.01 180.06 3kl9 h LEU 192 N 0.26 0.73 -0.43 1.33 6.46 -0.99 -2.34 115.31 120.34 3kl9 h LEU 192 Ca -0.01 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.51 3kl9 h LEU 192 Cb 1.13 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 3kl9 h LEU 192 CO 0.10 0.75 0.13 0.00 -0.62 0.00 0.00 178.44 178.80 3kl9 h ALA 193 N 1.01 0.56 -0.47 1.25 0.00 -1.47 -1.92 119.26 118.23 3kl9 h ALA 193 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kl9 h ALA 193 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kl9 h ALA 193 CO -0.00 0.22 0.19 1.49 0.00 0.00 0.00 179.25 181.14 3kl9 h GLU 194 N 0.55 0.70 0.00 0.00 4.81 -1.50 -1.47 114.58 117.67 3kl9 h GLU 194 Ca 0.14 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3kl9 h GLU 194 Cb 0.27 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3kl9 h GLU 194 CO -0.00 0.63 -0.17 0.00 -0.73 0.00 0.00 179.01 178.74 3kl9 h ALA 195 N 1.03 1.03 -0.01 2.92 0.00 -1.28 -2.77 119.26 120.19 3kl9 h ALA 195 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kl9 h ALA 195 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kl9 h ALA 195 CO -0.01 0.22 -0.66 1.28 0.00 0.00 0.00 179.25 180.08 3kl9 n LEU 196 N -3.34 1.19 -0.36 0.00 4.32 -0.73 -4.60 117.00 113.47 3kl9 n LEU 196 Ca 0.00 -0.44 -0.04 0.00 -0.02 0.00 0.00 56.01 55.51 3kl9 n LEU 196 Cb 0.40 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 3kl9 n LEU 196 CO 0.32 0.25 0.57 -1.28 -1.22 0.00 0.00 177.39 176.03 3kl9 h SER 197 N 0.84 -1.57 -0.04 -1.43 0.87 -0.96 -0.38 113.55 110.87 3kl9 h SER 197 Ca 0.00 0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 3kl9 h SER 197 Cb 0.57 0.78 -0.00 0.00 -0.44 0.00 0.00 62.40 63.31 3kl9 h SER 197 CO 0.00 -0.28 -0.01 1.23 -0.53 0.00 0.00 176.83 177.24 3kl9 h GLY 198 N -0.03 0.08 -3.30 5.77 0.00 -1.81 -3.47 103.07 100.30 3kl9 h GLY 198 Ca 0.29 -0.06 -0.58 0.00 0.00 0.00 0.00 47.33 46.97 3kl9 h GLY 198 CO -0.93 0.06 -0.68 -1.06 0.00 0.00 0.00 176.54 173.93 3kl9 n GLN 199 N -4.86 0.31 -4.43 4.80 1.13 -0.15 -5.03 117.38 109.14 3kl9 n GLN 199 Ca -0.07 0.12 -0.29 0.00 -1.94 0.00 0.00 57.00 54.82 3kl9 n GLN 199 Cb 0.21 -1.49 -0.17 0.00 0.11 0.00 0.00 30.24 28.91 3kl9 n GLN 199 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3kl9 s LYS 200 N -1.88 2.23 0.18 -1.09 -2.85 -1.26 -5.02 119.74 110.06 3kl9 s LYS 200 Ca 0.64 -0.56 0.04 0.00 -1.00 0.00 0.00 55.97 55.08 3kl9 s LYS 200 Cb -0.43 -1.91 -0.04 0.00 -2.06 0.00 0.00 37.83 33.39 3kl9 s LYS 200 CO 0.59 -0.07 0.24 -0.51 0.10 0.00 0.00 175.35 175.71 3kl9 s LEU 201 N 1.02 4.12 0.00 2.77 1.43 -1.26 -5.00 118.68 121.75 3kl9 s LEU 201 Ca -0.06 0.01 0.26 0.00 -1.03 0.00 0.00 54.13 53.31 3kl9 s LEU 201 Cb -0.15 -2.69 1.42 0.00 0.03 0.00 0.00 46.19 44.81 3kl9 s LEU 201 CO -0.02 0.02 1.93 0.61 0.23 0.00 0.00 176.35 179.12 3kl9 n GLY 202 N -0.73 -0.75 3.23 -3.19 0.00 -1.26 -4.47 105.19 98.01 3kl9 n GLY 202 Ca -0.08 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 3kl9 n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kl9 s ASN 203 N -1.82 1.76 -0.61 1.61 2.20 -1.21 -4.16 114.94 112.72 3kl9 s ASN 203 Ca 0.38 -0.90 -0.24 0.00 -0.94 0.00 0.00 52.86 51.17 3kl9 s ASN 203 Cb 0.18 -0.02 0.05 0.00 -2.00 0.00 0.00 41.25 39.46 3kl9 s ASN 203 CO 0.30 -0.26 0.99 -0.70 -2.94 0.00 0.00 177.10 174.50 3kl9 s GLU 204 N -3.16 3.25 -0.22 3.55 2.56 -0.35 -4.42 118.70 119.90 3kl9 s GLU 204 Ca 0.11 -0.43 -0.19 0.00 0.00 0.00 0.00 54.97 54.47 3kl9 s GLU 204 Cb -0.01 -4.12 -0.03 0.00 2.00 0.00 0.00 34.13 31.97 3kl9 s GLU 204 CO 0.01 -1.67 0.53 -1.17 -0.56 0.00 0.00 175.26 172.41 3kl9 s LEU 205 N 4.21 4.11 -0.36 2.70 2.96 -0.87 -1.15 118.68 130.28 3kl9 s LEU 205 Ca 0.29 0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 54.73 3kl9 s LEU 205 Cb -0.13 -2.72 0.03 0.00 0.50 0.00 0.00 46.19 43.87 3kl9 s LEU 205 CO 0.16 -0.24 0.18 -0.31 -1.32 0.00 0.00 176.35 174.83 3kl9 s TYR 206 N 1.95 3.24 -0.21 5.38 1.51 0.68 -0.42 117.35 129.48 3kl9 s TYR 206 Ca 0.24 -1.06 0.02 0.00 -1.01 0.00 0.00 57.07 55.25 3kl9 s TYR 206 Cb -0.15 -2.40 0.03 0.00 -0.11 0.00 0.00 41.96 39.33 3kl9 s TYR 206 CO 0.09 -0.66 -0.17 -1.17 -1.11 0.00 0.00 175.55 172.53 3kl9 s LEU 207 N 1.52 2.55 0.00 -1.29 0.20 -0.20 0.21 118.68 121.67 3kl9 s LEU 207 Ca 0.01 -0.89 0.00 0.00 0.69 0.00 0.00 54.13 53.94 3kl9 s LEU 207 Cb -0.19 -1.49 0.00 0.00 -0.43 0.00 0.00 46.19 44.07 3kl9 s LEU 207 CO 0.06 -0.06 0.00 0.61 -0.29 0.00 0.00 176.35 176.66 3kl9 n GLY 208 N 4.56 1.73 3.14 7.98 0.00 0.47 -0.39 105.19 122.67 3kl9 n GLY 208 Ca -0.19 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 3kl9 n GLY 208 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kl9 s SER 209 N 2.00 -0.30 0.54 1.61 0.15 -0.78 -1.63 113.70 115.28 3kl9 s SER 209 Ca 0.00 0.58 -0.05 0.00 0.70 0.00 0.00 55.95 57.18 3kl9 s SER 209 Cb 0.00 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 3kl9 s SER 209 CO 0.00 -0.13 0.84 0.20 1.20 0.00 0.00 173.24 175.35 3kl9 s ASN 210 N 0.64 5.90 0.12 5.45 0.01 0.25 -3.02 114.94 124.29 3kl9 s ASN 210 Ca -0.04 0.79 0.02 0.00 -0.71 0.00 0.00 52.86 52.92 3kl9 s ASN 210 Cb -0.05 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.63 3kl9 s ASN 210 CO -0.04 -0.83 0.21 0.54 -1.51 0.00 0.00 177.10 175.47 3kl9 s VAL 211 N -2.86 5.08 -1.44 1.60 0.11 -1.26 -0.86 120.40 120.77 3kl9 s VAL 211 Ca 0.51 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 3kl9 s VAL 211 Cb -0.10 -3.56 0.01 0.00 -1.53 0.00 0.00 36.38 31.20 3kl9 s VAL 211 CO 0.45 -0.01 0.40 0.00 -3.33 0.00 0.00 175.10 172.61 3kl9 n GLN 212 N -0.17 -3.11 -0.03 1.54 6.02 -1.26 -1.91 117.38 118.47 3kl9 n GLN 212 Ca -0.07 0.38 -0.15 0.00 -0.01 0.00 0.00 57.00 57.14 3kl9 n GLN 212 Cb 0.53 -4.49 -0.09 0.00 1.02 0.00 0.00 30.24 27.21 3kl9 n GLN 212 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3kl9 h GLU 213 N -1.81 0.43 0.00 -1.09 4.22 -1.90 -1.49 114.58 112.93 3kl9 h GLU 213 Ca -0.63 -0.34 0.00 0.00 0.08 0.00 0.00 59.36 58.47 3kl9 h GLU 213 Cb 1.38 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.70 3kl9 h GLU 213 CO 0.64 0.98 0.00 0.93 -2.18 0.00 0.00 179.01 179.38 3kl9 h GLU 214 N -0.01 0.00 -0.34 1.92 4.39 -1.90 0.11 114.58 118.74 3kl9 h GLU 214 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3kl9 h GLU 214 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3kl9 h GLU 214 CO 0.08 0.00 0.00 1.33 -1.16 0.00 0.00 179.01 179.26 3kl9 n VAL 215 N -2.78 1.76 0.00 3.13 0.24 -1.25 -4.17 118.33 115.26 3kl9 n VAL 215 Ca -0.02 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 60.82 3kl9 n VAL 215 Cb 0.09 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 3kl9 n VAL 215 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kl9 n GLY 216 N 0.09 0.73 2.91 7.63 0.00 -0.83 -4.81 105.19 110.91 3kl9 n GLY 216 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3kl9 n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kl9 n LEU 217 N 0.00 -2.12 -0.07 0.99 4.77 -0.04 -4.90 117.00 115.63 3kl9 n LEU 217 Ca 0.00 -0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 55.68 3kl9 n LEU 217 Cb 0.00 -2.69 -0.03 0.00 -2.33 0.00 0.00 43.42 38.37 3kl9 n LEU 217 CO 0.00 0.09 0.90 0.03 -1.33 0.00 0.00 177.39 177.08 3kl9 h ARG 218 N -0.88 0.35 0.00 3.23 3.08 -1.49 -2.66 114.38 116.00 3kl9 h ARG 218 Ca -0.47 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.48 3kl9 h ARG 218 Cb 1.33 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 3kl9 h ARG 218 CO 0.54 0.34 -0.22 0.78 -1.07 0.00 0.00 179.97 180.34 3kl9 h GLY 219 N 0.26 0.00 1.83 0.04 0.00 -1.50 -2.67 103.07 101.04 3kl9 h GLY 219 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 3kl9 h GLY 219 CO -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 176.54 176.33 3kl9 h ALA 220 N 1.78 1.44 0.54 3.60 0.00 -1.67 -0.94 119.26 124.01 3kl9 h ALA 220 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3kl9 h ALA 220 Cb 0.50 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kl9 h ALA 220 CO 0.03 0.40 -0.26 0.45 0.00 0.00 0.00 179.25 179.86 3kl9 h HIS 221 N 0.19 -0.67 0.12 0.00 -0.00 -1.45 -3.14 115.15 110.19 3kl9 h HIS 221 Ca 0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 3kl9 h HIS 221 Cb 0.47 0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.11 3kl9 h HIS 221 CO 0.01 -0.41 -0.06 1.79 -0.00 0.00 0.00 177.93 179.26 3kl9 h THR 222 N -0.75 1.06 -0.33 2.45 1.35 -1.54 -2.63 112.91 112.51 3kl9 h THR 222 Ca -0.07 -0.74 0.02 0.00 -0.55 0.00 0.00 66.41 65.06 3kl9 h THR 222 Cb 0.57 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 3kl9 h THR 222 CO 0.12 0.18 0.18 0.77 -0.25 0.00 0.00 175.52 176.52 3kl9 h SER 223 N -0.51 0.28 -0.33 5.36 4.64 -1.31 0.41 113.55 122.09 3kl9 h SER 223 Ca -0.02 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kl9 h SER 223 Cb 0.41 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3kl9 h SER 223 CO 0.03 0.21 0.20 0.74 -0.87 0.00 0.00 176.83 177.13 3kl9 h THR 224 N 0.37 1.12 0.05 2.95 2.02 -1.60 -0.46 112.91 117.35 3kl9 h THR 224 Ca 0.13 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.06 3kl9 h THR 224 Cb 0.02 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3kl9 h THR 224 CO -0.07 0.11 -0.12 0.74 0.37 0.00 0.00 175.52 176.55 3kl9 h THR 225 N 0.43 0.71 -0.11 3.16 2.02 -1.07 -0.93 112.91 117.13 3kl9 h THR 225 Ca 0.12 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 3kl9 h THR 225 Cb 0.01 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 3kl9 h THR 225 CO -0.02 0.00 -0.12 0.50 0.37 0.00 0.00 175.52 176.25 3kl9 h LYS 226 N -0.23 -0.15 -0.01 6.66 3.64 -0.58 -3.18 116.57 122.71 3kl9 h LYS 226 Ca 0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3kl9 h LYS 226 Cb 0.26 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3kl9 h LYS 226 CO -0.09 -0.10 -0.18 1.19 -2.27 0.00 0.00 179.45 178.01 3kl9 n PHE 227 N -5.26 0.00 -3.95 1.91 0.99 -0.21 -4.99 117.46 105.95 3kl9 n PHE 227 Ca -0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.10 3kl9 n PHE 227 Cb 0.18 -0.05 -0.01 0.00 -1.00 0.00 0.00 39.48 38.61 3kl9 n PHE 227 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kl9 n ASP 228 N -0.06 -2.12 -4.78 4.37 4.64 -0.36 -4.94 116.55 113.31 3kl9 n ASP 228 Ca 0.14 -1.10 -0.30 0.00 -1.38 0.00 0.00 54.79 52.15 3kl9 n ASP 228 Cb 0.40 -2.72 0.09 0.00 -1.04 0.00 0.00 41.12 37.85 3kl9 n ASP 228 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3kl9 s PRO 229 N -6.66 2.11 -0.09 -0.67 0.04 -1.26 -4.82 135.00 123.65 3kl9 s PRO 229 Ca 0.21 0.87 0.16 0.00 0.04 0.00 0.00 61.00 62.28 3kl9 s PRO 229 Cb -0.09 -1.90 -0.23 0.00 0.04 0.00 0.00 34.50 32.32 3kl9 s PRO 229 CO 0.91 -1.66 0.46 0.39 0.04 0.00 0.00 177.00 177.13 3kl9 n GLU 230 N -3.50 0.65 -3.78 4.56 1.02 0.57 -4.85 120.64 115.32 3kl9 n GLU 230 Ca 0.08 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.24 3kl9 n GLU 230 Cb 0.55 -1.68 -0.13 0.00 -0.02 0.00 0.00 31.44 30.16 3kl9 n GLU 230 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kl9 s VAL 231 N -2.64 -0.01 -0.09 2.62 1.01 -1.22 -4.00 120.40 116.06 3kl9 s VAL 231 Ca -0.07 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3kl9 s VAL 231 Cb 0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 3kl9 s VAL 231 CO 0.83 0.02 -0.24 0.12 0.00 0.00 0.00 175.10 175.83 3kl9 s PHE 232 N 0.50 2.53 -0.33 5.22 2.19 -0.11 -2.07 117.98 125.91 3kl9 s PHE 232 Ca -0.03 -0.91 0.03 0.00 0.33 0.00 0.00 56.93 56.35 3kl9 s PHE 232 Cb -0.05 -1.68 0.09 0.00 -1.31 0.00 0.00 43.02 40.08 3kl9 s PHE 232 CO -0.03 -0.33 0.03 -0.51 1.83 0.00 0.00 175.22 176.21 3kl9 s LEU 233 N 0.16 4.51 0.40 6.12 1.02 0.65 -2.43 118.68 129.10 3kl9 s LEU 233 Ca -0.13 -1.96 -0.24 0.00 0.02 0.00 0.00 54.13 51.83 3kl9 s LEU 233 Cb -0.16 -1.64 -0.09 0.00 0.02 0.00 0.00 46.19 44.32 3kl9 s LEU 233 CO 0.07 -0.35 1.05 0.00 0.02 0.00 0.00 176.35 177.14 3kl9 s ALA 234 N 0.98 3.09 -0.21 4.21 0.00 0.72 -1.32 121.76 129.24 3kl9 s ALA 234 Ca 0.06 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.72 3kl9 s ALA 234 Cb -0.20 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 19.70 3kl9 s ALA 234 CO -0.07 -0.20 -0.08 0.08 0.00 0.00 0.00 175.76 175.49 3kl9 s VAL 235 N -1.66 1.52 -0.04 0.00 1.01 0.14 0.22 120.40 121.59 3kl9 s VAL 235 Ca 0.58 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3kl9 s VAL 235 Cb -0.22 -1.68 0.10 0.00 0.00 0.00 0.00 36.38 34.58 3kl9 s VAL 235 CO 0.27 0.07 0.82 -0.62 0.00 0.00 0.00 175.10 175.64 3kl9 s ASP 236 N 1.43 -0.48 0.22 3.32 3.68 -1.18 -4.17 116.67 119.49 3kl9 s ASP 236 Ca -0.03 0.32 0.10 0.00 2.13 0.00 0.00 52.55 55.07 3kl9 s ASP 236 Cb -0.17 0.44 -0.04 0.00 -1.45 0.00 0.00 42.92 41.69 3kl9 s ASP 236 CO -0.07 -0.59 -0.12 0.00 0.13 0.00 0.00 175.17 174.52 3kl9 s SER 238 N -3.08 2.62 0.17 0.00 0.01 -0.29 -4.86 113.70 108.28 3kl9 s SER 238 Ca 0.26 -1.34 -0.32 0.00 1.31 0.00 0.00 55.95 55.87 3kl9 s SER 238 Cb -0.08 -0.14 -0.11 0.00 0.21 0.00 0.00 66.02 65.91 3kl9 s SER 238 CO 0.15 -0.54 1.70 -2.84 0.41 0.00 0.00 173.24 172.13 3kl9 s PRO 239 N -3.84 4.15 0.15 12.44 0.02 -1.26 -1.08 135.00 145.58 3kl9 s PRO 239 Ca 0.35 2.53 -0.30 0.00 0.02 0.00 0.00 61.00 63.60 3kl9 s PRO 239 Cb 0.08 -3.22 -0.07 0.00 0.02 0.00 0.00 34.50 31.32 3kl9 s PRO 239 CO 0.15 -0.73 0.99 0.00 -0.33 0.00 0.00 177.00 177.07 3kl9 s ALA 240 N 1.54 3.29 -0.66 -1.55 0.00 0.14 -4.68 121.76 119.84 3kl9 s ALA 240 Ca 0.75 0.63 0.16 0.00 0.00 0.00 0.00 51.96 53.50 3kl9 s ALA 240 Cb -0.47 -3.28 -0.18 0.00 0.00 0.00 0.00 23.12 19.18 3kl9 s ALA 240 CO 0.33 -0.03 0.63 0.41 0.00 0.00 0.00 175.76 177.10 3kl9 n GLY 241 N 2.08 -0.52 0.30 0.00 0.00 0.40 -4.71 105.19 102.74 3kl9 n GLY 241 Ca 0.02 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.67 3kl9 n GLY 241 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3kl9 h ASP 242 N 0.00 -0.43 0.84 1.61 3.04 -0.92 0.22 116.42 120.79 3kl9 h ASP 242 Ca 0.00 0.22 -0.03 0.00 -3.24 0.00 0.00 57.03 53.99 3kl9 h ASP 242 Cb 0.42 0.40 -0.00 0.00 -1.04 0.00 0.00 39.33 39.10 3kl9 h ASP 242 CO 0.00 -0.23 -0.12 1.62 -2.04 0.00 0.00 179.24 178.47 3kl9 h VAL 243 N 0.07 0.35 -0.42 4.15 3.04 -1.86 -2.03 116.25 119.55 3kl9 h VAL 243 Ca 0.46 -0.79 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 3kl9 h VAL 243 Cb 0.83 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 3kl9 h VAL 243 CO -0.75 0.12 0.00 -1.22 -1.01 0.00 0.00 177.57 174.71 3kl9 n TYR 244 N -3.31 1.29 -1.20 3.17 0.53 0.54 -4.93 117.16 113.24 3kl9 n TYR 244 Ca -0.00 -0.75 -0.07 0.00 -1.02 0.00 0.00 57.90 56.06 3kl9 n TYR 244 Cb 0.35 -0.32 -0.03 0.00 -1.03 0.00 0.00 39.34 38.30 3kl9 n TYR 244 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3kl9 n GLY 245 N 0.20 0.80 4.00 2.72 0.00 -0.76 -5.01 105.19 107.14 3kl9 n GLY 245 Ca 0.23 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3kl9 n GLY 245 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 246 N -2.41 1.78 0.44 -0.02 0.00 0.17 -4.95 107.32 102.33 3kl9 s GLY 246 Ca 0.00 -1.77 -0.17 0.00 0.00 0.00 0.00 44.72 42.78 3kl9 s GLY 246 CO 0.00 -1.31 0.91 -0.86 0.00 0.00 0.00 173.10 171.84 3kl9 s GLN 247 N -4.89 4.02 0.00 2.90 -2.07 -1.26 -2.67 119.66 115.70 3kl9 s GLN 247 Ca 0.63 0.90 0.00 0.00 -1.82 0.00 0.00 55.36 55.07 3kl9 s GLN 247 Cb -0.07 -2.23 0.00 0.00 -1.09 0.00 0.00 33.01 29.63 3kl9 s GLN 247 CO 0.41 -0.10 0.00 0.41 -1.32 0.00 0.00 175.29 174.69 3kl9 n GLY 248 N -1.06 0.92 3.14 2.60 0.00 -1.26 -2.24 105.19 107.28 3kl9 n GLY 248 Ca 0.06 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 3kl9 n GLY 248 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kl9 s LYS 249 N -0.58 3.00 0.06 1.61 2.20 -1.26 -0.45 119.74 124.31 3kl9 s LYS 249 Ca 0.00 -0.84 -0.34 0.00 -0.36 0.00 0.00 55.97 54.43 3kl9 s LYS 249 Cb 0.00 -2.50 -0.13 0.00 -1.51 0.00 0.00 37.83 33.69 3kl9 s LYS 249 CO 0.00 -0.12 1.70 -0.89 -0.36 0.00 0.00 175.35 175.68 3kl9 n ILE 250 N 4.37 0.25 -0.07 5.43 -0.00 -1.26 -1.89 119.36 126.19 3kl9 n ILE 250 Ca -0.21 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.50 3kl9 n ILE 250 Cb 0.51 -1.68 0.00 0.00 -0.00 0.00 0.00 39.64 38.47 3kl9 n ILE 250 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kl9 n GLY 251 N 3.82 1.02 1.30 7.39 0.00 -1.26 -4.93 105.19 112.54 3kl9 n GLY 251 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.25 3kl9 n GLY 251 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kl9 n ASP 252 N 0.00 3.66 0.00 1.61 9.92 -0.79 -4.90 116.55 126.05 3kl9 n ASP 252 Ca 0.00 -2.54 0.00 0.00 -0.53 0.00 0.00 54.79 51.72 3kl9 n ASP 252 Cb 0.00 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 3kl9 n ASP 252 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kl9 n GLY 253 N 0.32 -1.94 3.86 0.44 0.00 -1.26 -3.66 105.19 102.95 3kl9 n GLY 253 Ca 0.16 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 3kl9 n GLY 253 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kl9 s THR 254 N 0.00 4.66 -0.09 2.61 -1.32 -0.71 -4.60 115.64 116.19 3kl9 s THR 254 Ca 0.00 0.93 -0.13 0.00 -1.21 0.00 0.00 61.69 61.28 3kl9 s THR 254 Cb 0.00 -3.75 -0.05 0.00 -1.51 0.00 0.00 72.50 67.19 3kl9 s THR 254 CO 0.00 -0.71 0.31 -0.76 -2.21 0.00 0.00 174.62 171.25 3kl9 s LEU 255 N -4.20 4.36 -0.52 9.08 1.43 -0.27 -0.99 118.68 127.57 3kl9 s LEU 255 Ca 0.55 0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 54.17 3kl9 s LEU 255 Cb -0.10 -2.40 0.10 0.00 0.03 0.00 0.00 46.19 43.82 3kl9 s LEU 255 CO 0.35 0.25 0.51 -0.63 0.23 0.00 0.00 176.35 177.06 3kl9 s ILE 256 N -0.43 5.12 -0.93 -0.59 -1.09 0.70 -4.26 121.20 119.72 3kl9 s ILE 256 Ca 0.19 -1.18 -0.17 0.00 -2.23 0.00 0.00 60.65 57.27 3kl9 s ILE 256 Cb -0.14 -4.29 0.16 0.00 -1.58 0.00 0.00 42.46 36.61 3kl9 s ILE 256 CO 0.08 -0.81 1.05 -0.60 -1.23 0.00 0.00 174.94 173.43 3kl9 s ARG 257 N 1.89 3.65 0.35 2.79 3.52 -1.26 -1.63 118.95 128.26 3kl9 s ARG 257 Ca 0.06 -2.05 0.18 0.00 -0.13 0.00 0.00 55.73 53.79 3kl9 s ARG 257 Cb -0.26 -4.79 0.46 0.00 -1.56 0.00 0.00 34.95 28.80 3kl9 s ARG 257 CO 0.06 -1.63 1.62 0.27 -0.81 0.00 0.00 175.30 174.81 3kl9 h PHE 258 N 8.37 0.00 -2.80 5.12 -5.15 -1.94 -3.40 116.94 117.13 3kl9 h PHE 258 Ca 0.16 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.81 3kl9 h PHE 258 Cb 1.01 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 36.97 3kl9 h PHE 258 CO 1.12 0.40 -0.20 -0.47 -2.00 0.00 0.00 178.31 177.15 3kl9 s TYR 259 N -3.33 -0.34 0.23 6.09 6.14 -1.26 -2.12 117.35 122.76 3kl9 s TYR 259 Ca 0.02 0.68 -0.15 0.00 0.64 0.00 0.00 57.07 58.26 3kl9 s TYR 259 Cb 0.09 0.16 0.01 0.00 0.42 0.00 0.00 41.96 42.64 3kl9 s TYR 259 CO 0.70 -0.35 0.50 0.16 0.64 0.00 0.00 175.55 177.20 3kl9 s ASP 260 N -0.73 -0.14 0.62 4.32 1.47 -0.77 -0.21 116.67 121.22 3kl9 s ASP 260 Ca -0.08 -0.75 0.32 0.00 1.18 0.00 0.00 52.55 53.21 3kl9 s ASP 260 Cb -0.04 0.58 1.73 0.00 -0.34 0.00 0.00 42.92 44.86 3kl9 s ASP 260 CO 0.04 -1.11 1.97 -0.65 0.68 0.00 0.00 175.17 176.09 3kl9 h PRO 261 N 2.24 0.00 -0.00 2.11 0.11 -1.79 -2.52 132.00 132.15 3kl9 h PRO 261 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kl9 h PRO 261 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kl9 h PRO 261 CO 0.36 0.00 -0.09 0.41 -0.21 0.00 0.00 178.00 178.47 3kl9 n GLY 262 N -1.19 -0.29 3.21 -0.55 0.00 -1.26 -5.02 105.19 100.08 3kl9 n GLY 262 Ca -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 3kl9 n GLY 262 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kl9 s HIS 263 N -0.87 -0.51 -0.23 1.61 5.65 -0.95 -4.51 115.29 115.48 3kl9 s HIS 263 Ca 0.04 1.12 -0.07 0.00 0.25 0.00 0.00 55.06 56.40 3kl9 s HIS 263 Cb 0.04 0.19 -0.03 0.00 -1.18 0.00 0.00 32.58 31.60 3kl9 s HIS 263 CO 0.12 -0.30 0.07 -0.51 -0.65 0.00 0.00 174.74 173.47 3kl9 s LEU 264 N 1.24 3.53 -0.15 8.88 1.43 -1.26 -1.85 118.68 130.50 3kl9 s LEU 264 Ca -0.09 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 3kl9 s LEU 264 Cb -0.08 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3kl9 s LEU 264 CO -0.10 0.02 1.63 -0.22 0.23 0.00 0.00 176.35 177.91 3kl9 s LEU 265 N 1.26 4.06 0.40 1.79 2.96 -0.90 -4.95 118.68 123.31 3kl9 s LEU 265 Ca 0.05 1.86 -0.23 0.00 -0.22 0.00 0.00 54.13 55.59 3kl9 s LEU 265 Cb -0.15 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 3kl9 s LEU 265 CO 0.03 -1.13 1.02 -0.76 -1.32 0.00 0.00 176.35 174.19 3kl9 s LEU 266 N 4.76 4.10 0.22 -0.68 1.43 -1.26 -4.84 118.68 122.41 3kl9 s LEU 266 Ca 0.72 1.94 -0.08 0.00 -1.03 0.00 0.00 54.13 55.68 3kl9 s LEU 266 Cb -0.28 -4.26 0.33 0.00 0.03 0.00 0.00 46.19 42.01 3kl9 s LEU 266 CO 0.29 -0.45 1.73 -0.65 0.23 0.00 0.00 176.35 177.50 3kl9 h PRO 267 N 2.38 0.38 -0.19 1.29 0.11 -1.94 -0.15 132.00 133.89 3kl9 h PRO 267 Ca -0.48 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.66 3kl9 h PRO 267 Cb 1.21 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 3kl9 h PRO 267 CO 0.62 0.25 -0.21 0.78 -0.21 0.00 0.00 178.00 179.23 3kl9 h GLY 268 N 0.40 -0.14 1.05 -0.55 0.00 -1.88 -0.70 103.07 101.25 3kl9 h GLY 268 Ca 0.34 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 3kl9 h GLY 268 CO -0.35 -0.19 0.45 1.98 0.00 0.00 0.00 176.54 178.44 3kl9 h MET 269 N -0.24 1.24 0.03 4.80 -1.53 -1.47 -2.58 114.93 115.18 3kl9 h MET 269 Ca 0.12 -0.16 -0.00 0.00 -3.44 0.00 0.00 59.70 56.22 3kl9 h MET 269 Cb 0.42 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.23 3kl9 h MET 269 CO -0.33 0.92 -0.01 -0.22 0.14 0.00 0.00 176.91 177.41 3kl9 h LYS 270 N 1.24 -0.04 -0.47 0.39 3.64 -0.56 0.18 116.57 120.94 3kl9 h LYS 270 Ca 0.30 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 3kl9 h LYS 270 Cb 0.07 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 3kl9 h LYS 270 CO -0.04 -0.03 0.13 -0.44 -2.27 0.00 0.00 179.45 176.80 3kl9 h ASP 271 N -0.04 0.08 -0.20 4.20 3.32 -1.05 -0.50 116.42 122.23 3kl9 h ASP 271 Ca -0.00 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3kl9 h ASP 271 Cb 0.03 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3kl9 h ASP 271 CO 0.01 0.07 0.07 0.15 -1.72 0.00 0.00 179.24 177.82 3kl9 h PHE 272 N 0.28 0.14 -0.27 4.55 3.57 -1.19 -0.41 116.94 123.60 3kl9 h PHE 272 Ca 0.23 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.79 3kl9 h PHE 272 Cb 0.28 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3kl9 h PHE 272 CO -0.19 0.07 0.02 -0.07 -2.23 0.00 0.00 178.31 175.90 3kl9 h LEU 273 N 0.17 -0.07 -0.18 0.59 3.38 -0.03 -2.22 115.31 116.94 3kl9 h LEU 273 Ca 0.09 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 3kl9 h LEU 273 Cb 0.05 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kl9 h LEU 273 CO -0.09 -0.00 -0.38 -0.07 0.09 0.00 0.00 178.44 177.99 3kl9 h LEU 274 N 0.10 0.66 -0.12 1.67 3.38 -0.86 -1.92 115.31 118.22 3kl9 h LEU 274 Ca 0.13 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.56 3kl9 h LEU 274 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kl9 h LEU 274 CO -0.20 1.09 -0.00 0.74 0.09 0.00 0.00 178.44 180.15 3kl9 h THR 275 N 0.25 0.91 -0.07 0.22 2.02 -1.09 -1.74 112.91 113.42 3kl9 h THR 275 Ca 0.00 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.20 3kl9 h THR 275 Cb 0.99 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 3kl9 h THR 275 CO 0.08 0.01 -0.10 0.74 0.37 0.00 0.00 175.52 176.62 3kl9 h THR 276 N 0.04 0.72 -0.97 3.16 2.02 -1.35 -1.46 112.91 115.08 3kl9 h THR 276 Ca 0.06 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.36 3kl9 h THR 276 Cb 0.07 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 67.11 3kl9 h THR 276 CO -0.10 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.38 3kl9 h ALA 277 N 0.89 1.47 -0.25 6.16 0.00 -1.15 -0.75 119.26 125.63 3kl9 h ALA 277 Ca 0.06 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3kl9 h ALA 277 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kl9 h ALA 277 CO -0.15 0.15 -0.28 1.49 0.00 0.00 0.00 179.25 180.46 3kl9 h GLU 278 N 0.91 0.63 -0.43 0.00 4.57 -1.11 0.86 114.58 120.01 3kl9 h GLU 278 Ca 0.49 -0.35 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 3kl9 h GLU 278 Cb 0.54 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 3kl9 h GLU 278 CO -0.29 0.95 0.00 0.93 -1.18 0.00 0.00 179.01 179.43 3kl9 h GLU 279 N 0.35 0.69 -0.20 1.92 5.08 -0.62 -3.09 114.58 118.71 3kl9 h GLU 279 Ca 0.04 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3kl9 h GLU 279 Cb 0.85 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3kl9 h GLU 279 CO 0.07 0.70 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 3kl9 n ALA 280 N -2.47 2.48 -2.62 3.43 0.00 -0.35 -4.95 120.51 116.02 3kl9 n ALA 280 Ca 0.02 -0.72 -0.15 0.00 0.00 0.00 0.00 53.44 52.59 3kl9 n ALA 280 Cb 0.28 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.78 3kl9 n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kl9 n GLY 281 N 1.32 -0.17 3.72 0.00 0.00 -0.97 -4.98 105.19 104.12 3kl9 n GLY 281 Ca 0.17 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3kl9 n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl9 s ILE 282 N -2.90 4.38 -0.26 -0.61 -1.09 0.26 -5.01 121.20 115.97 3kl9 s ILE 282 Ca 0.14 1.86 -0.27 0.00 -2.23 0.00 0.00 60.65 60.16 3kl9 s ILE 282 Cb -0.06 -4.19 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 3kl9 s ILE 282 CO 0.18 0.23 0.94 -0.75 -1.23 0.00 0.00 174.94 174.31 3kl9 s LYS 283 N 0.37 4.16 0.11 2.79 2.20 -1.26 -4.79 119.74 123.32 3kl9 s LYS 283 Ca 0.51 1.07 0.02 0.00 -0.36 0.00 0.00 55.97 57.21 3kl9 s LYS 283 Cb -0.25 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 3kl9 s LYS 283 CO 0.30 -0.65 -0.08 1.52 -0.36 0.00 0.00 175.35 176.09 3kl9 s TYR 284 N 3.13 0.99 0.03 4.03 -0.85 -1.26 -1.73 117.35 121.70 3kl9 s TYR 284 Ca 0.40 -0.87 0.03 0.00 -0.52 0.00 0.00 57.07 56.11 3kl9 s TYR 284 Cb -0.14 -0.55 -0.02 0.00 0.38 0.00 0.00 41.96 41.63 3kl9 s TYR 284 CO 0.09 -0.09 -0.09 1.14 -1.52 0.00 0.00 175.55 175.08 3kl9 s GLN 285 N -3.81 0.64 0.40 -3.49 -2.07 -0.16 -4.86 119.66 106.31 3kl9 s GLN 285 Ca 0.13 -0.66 -0.25 0.00 -1.82 0.00 0.00 55.36 52.76 3kl9 s GLN 285 Cb 0.04 -0.54 -0.08 0.00 -1.09 0.00 0.00 33.01 31.34 3kl9 s GLN 285 CO -0.03 0.12 1.16 0.71 -1.32 0.00 0.00 175.29 175.93 3kl9 s TYR 286 N -0.97 3.08 -0.16 9.60 1.51 -1.26 -0.22 117.35 128.93 3kl9 s TYR 286 Ca -0.04 1.56 -0.05 0.00 -1.01 0.00 0.00 57.07 57.54 3kl9 s TYR 286 Cb -0.08 -3.37 0.08 0.00 -0.11 0.00 0.00 41.96 38.48 3kl9 s TYR 286 CO 0.01 -1.27 0.28 -0.47 -1.11 0.00 0.00 175.55 172.99 3kl9 s TYR 287 N -1.44 -0.48 -0.50 2.71 5.04 -0.64 -4.80 117.35 117.25 3kl9 s TYR 287 Ca 0.57 0.88 -0.18 0.00 -2.44 0.00 0.00 57.07 55.91 3kl9 s TYR 287 Cb -0.30 -0.05 0.06 0.00 0.35 0.00 0.00 41.96 42.02 3kl9 s TYR 287 CO 0.37 -0.45 0.57 0.00 -1.34 0.00 0.00 175.55 174.70 3kl9 s GLY 289 N 2.65 3.05 0.00 0.00 0.00 0.71 -4.95 107.32 108.78 3kl9 s GLY 289 Ca 0.12 0.88 0.14 0.00 0.00 0.00 0.00 44.72 45.87 3kl9 s GLY 289 CO 0.11 1.50 0.84 0.28 0.00 0.00 0.00 173.10 175.83 3kl9 n LYS 290 N 1.29 1.52 -4.41 2.90 5.02 -1.26 -4.07 118.16 119.17 3kl9 n LYS 290 Ca -0.01 -0.97 -0.22 0.00 -2.02 0.00 0.00 58.31 55.09 3kl9 n LYS 290 Cb 0.45 -1.23 -0.08 0.00 -0.02 0.00 0.00 35.03 34.15 3kl9 n LYS 290 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kl9 s GLY 291 N -1.50 2.38 0.21 0.72 0.00 -1.26 -4.76 107.32 103.10 3kl9 s GLY 291 Ca 0.13 -1.60 0.04 0.00 0.00 0.00 0.00 44.72 43.30 3kl9 s GLY 291 CO 0.28 -1.67 0.31 -0.32 0.00 0.00 0.00 173.10 171.70 3kl9 s GLY 292 N -3.48 1.41 0.43 0.20 0.00 -1.26 -4.49 107.32 100.12 3kl9 s GLY 292 Ca 0.31 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 43.89 3kl9 s GLY 292 CO 0.19 -1.19 0.09 -0.51 0.00 0.00 0.00 173.10 171.68 3kl9 s THR 293 N -1.90 0.81 0.59 0.90 -4.23 -1.26 -5.04 115.64 105.51 3kl9 s THR 293 Ca 0.34 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.14 3kl9 s THR 293 Cb -0.10 -2.36 0.36 0.00 1.34 0.00 0.00 72.50 71.75 3kl9 s THR 293 CO 0.28 0.00 2.08 0.44 -0.54 0.00 0.00 174.62 176.89 3kl9 h ASP 294 N 1.71 0.00 -0.91 3.99 3.32 -1.95 -1.09 116.42 121.49 3kl9 h ASP 294 Ca -0.38 0.00 0.12 0.00 0.02 0.00 0.00 57.03 56.79 3kl9 h ASP 294 Cb 1.28 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.76 3kl9 h ASP 294 CO 0.62 0.00 0.58 0.00 -1.72 0.00 0.00 179.24 178.73 3kl9 h ALA 295 N 1.73 1.70 -0.09 3.45 0.00 -1.96 -1.90 119.26 122.19 3kl9 h ALA 295 Ca 0.09 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3kl9 h ALA 295 Cb 0.55 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kl9 h ALA 295 CO -0.00 0.08 0.08 0.78 0.00 0.00 0.00 179.25 180.19 3kl9 h GLY 296 N 0.82 0.00 0.00 0.00 0.00 -1.42 -2.56 103.07 99.91 3kl9 h GLY 296 Ca 0.44 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.37 3kl9 h GLY 296 CO -0.21 0.00 -2.22 0.00 0.00 0.00 0.00 176.54 174.11 3kl9 n ALA 297 N -2.47 1.10 -0.19 3.60 0.00 -1.05 -4.63 120.51 116.87 3kl9 n ALA 297 Ca -0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 53.44 52.44 3kl9 n ALA 297 Cb 0.18 -0.01 0.04 0.00 0.00 0.00 0.00 19.45 19.67 3kl9 n ALA 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kl9 h ALA 298 N -0.90 0.30 0.00 0.00 0.00 -1.26 -1.80 119.26 115.60 3kl9 h ALA 298 Ca -0.61 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3kl9 h ALA 298 Cb 1.52 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.81 3kl9 h ALA 298 CO -0.37 -0.48 0.00 1.12 0.00 0.00 0.00 179.25 179.52 3kl9 h HIS 299 N -0.04 0.00 -0.00 0.00 2.07 -1.61 -0.78 115.15 114.79 3kl9 h HIS 299 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 3kl9 h HIS 299 Cb 0.45 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.43 3kl9 h HIS 299 CO -0.50 0.00 -0.41 1.28 -3.07 0.00 0.00 177.93 175.23 3kl9 n LEU 300 N -2.91 0.65 -4.85 6.12 4.77 -0.68 -1.60 117.00 118.50 3kl9 n LEU 300 Ca -0.02 -0.07 -0.32 0.00 -0.03 0.00 0.00 56.01 55.57 3kl9 n LEU 300 Cb 0.10 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3kl9 n LEU 300 CO 0.19 0.14 0.61 -0.54 -1.33 0.00 0.00 177.39 176.47 3kl9 s LYS 301 N -2.83 3.90 5.00 3.23 -0.14 -0.30 -4.69 119.74 123.91 3kl9 s LYS 301 Ca 0.16 0.82 0.00 0.00 -1.36 0.00 0.00 55.97 55.59 3kl9 s LYS 301 Cb 0.18 -2.21 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 3kl9 s LYS 301 CO 0.64 -0.21 0.00 0.09 -0.76 0.00 0.00 175.35 175.11 3kl9 n ASN 302 N -1.51 0.00 -0.66 2.83 5.03 -1.26 -1.69 115.26 118.00 3kl9 n ASN 302 Ca 0.05 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.62 3kl9 n ASN 302 Cb 0.54 0.00 0.36 0.00 -1.02 0.00 0.00 39.78 39.66 3kl9 n ASN 302 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kl9 n GLY 303 N 0.00 0.50 0.00 7.41 0.00 -1.26 -5.01 105.19 106.83 3kl9 n GLY 303 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3kl9 n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl9 n GLY 304 N 1.21 2.83 2.61 -0.02 0.00 -0.68 -5.09 105.19 106.06 3kl9 n GLY 304 Ca 0.17 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 3kl9 n GLY 304 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl9 s VAL 305 N -0.43 0.40 0.18 1.61 1.01 -0.63 -4.95 120.40 117.59 3kl9 s VAL 305 Ca 0.00 -1.22 -0.33 0.00 0.00 0.00 0.00 61.98 60.43 3kl9 s VAL 305 Cb 0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 36.38 34.92 3kl9 s VAL 305 CO 0.00 -0.75 1.27 -2.65 0.00 0.00 0.00 175.10 172.97 3kl9 n PRO 306 N 4.86 1.43 -4.16 2.72 -0.02 -1.26 -4.10 135.00 134.47 3kl9 n PRO 306 Ca -0.02 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 61.87 3kl9 n PRO 306 Cb 0.41 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 3kl9 n PRO 306 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kl9 s SER 307 N 0.18 0.56 0.21 2.55 0.01 -1.26 -0.94 113.70 115.01 3kl9 s SER 307 Ca 0.74 -1.16 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 3kl9 s SER 307 Cb -0.80 0.24 0.02 0.00 0.21 0.00 0.00 66.02 65.68 3kl9 s SER 307 CO 0.50 -0.67 0.35 0.35 0.41 0.00 0.00 173.24 174.19 3kl9 n THR 308 N -0.09 0.00 -4.14 1.44 -2.24 -1.02 -4.67 114.28 103.56 3kl9 n THR 308 Ca -0.07 -0.79 -0.30 0.00 -2.27 0.00 0.00 64.05 60.61 3kl9 n THR 308 Cb 0.63 0.59 -0.16 0.00 -2.10 0.00 0.00 70.33 69.28 3kl9 n THR 308 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kl9 s THR 309 N -2.58 1.61 -0.65 4.28 2.01 -1.26 -0.20 115.64 118.85 3kl9 s THR 309 Ca 0.13 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.20 3kl9 s THR 309 Cb -0.02 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 71.04 3kl9 s THR 309 CO 0.09 0.46 1.16 -0.63 -0.69 0.00 0.00 174.62 175.02 3kl9 s ILE 310 N 1.35 4.00 0.30 1.82 -1.09 0.13 -4.64 121.20 123.06 3kl9 s ILE 310 Ca 0.02 0.43 0.06 0.00 -2.23 0.00 0.00 60.65 58.94 3kl9 s ILE 310 Cb -0.13 -4.77 -0.06 0.00 -1.58 0.00 0.00 42.46 35.92 3kl9 s ILE 310 CO -0.09 -1.53 -0.04 -0.83 -1.23 0.00 0.00 174.94 171.22 3kl9 s GLY 311 N 3.36 1.95 0.05 6.18 0.00 -1.26 -3.09 107.32 114.51 3kl9 s GLY 311 Ca 0.35 -1.97 0.02 0.00 0.00 0.00 0.00 44.72 43.12 3kl9 s GLY 311 CO 0.18 -1.87 -0.08 0.14 0.00 0.00 0.00 173.10 171.47 3kl9 s VAL 312 N -2.99 0.59 0.16 1.40 1.01 -1.23 -1.11 120.40 118.23 3kl9 s VAL 312 Ca 0.31 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 61.13 3kl9 s VAL 312 Cb 0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3kl9 s VAL 312 CO 0.13 -0.44 0.18 0.00 0.00 0.00 0.00 175.10 174.97 3kl9 s ALA 314 N -1.74 -0.63 0.05 0.00 0.00 -0.24 -4.70 121.76 114.50 3kl9 s ALA 314 Ca 0.32 0.23 -0.24 0.00 0.00 0.00 0.00 51.96 52.28 3kl9 s ALA 314 Cb -0.10 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 3kl9 s ALA 314 CO 0.25 -0.23 0.72 1.03 0.00 0.00 0.00 175.76 177.53 3kl9 s ARG 315 N -1.17 4.45 -1.03 0.00 0.52 0.68 0.26 118.95 122.67 3kl9 s ARG 315 Ca -0.12 0.99 -0.02 0.00 -0.52 0.00 0.00 55.73 56.05 3kl9 s ARG 315 Cb -0.06 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 32.08 3kl9 s ARG 315 CO 0.03 0.35 0.87 0.66 0.02 0.00 0.00 175.30 177.24 3kl9 n TYR 316 N 2.59 -2.00 -1.26 -0.53 4.01 -1.26 -1.44 117.16 117.27 3kl9 n TYR 316 Ca -0.04 0.79 -0.35 0.00 -0.16 0.00 0.00 57.90 58.14 3kl9 n TYR 316 Cb 0.50 -4.47 0.10 0.00 -0.31 0.00 0.00 39.34 35.16 3kl9 n TYR 316 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3kl9 n ILE 317 N -3.91 2.41 -3.36 -0.72 -0.00 -1.26 -3.56 119.36 108.96 3kl9 n ILE 317 Ca -0.15 -0.33 -0.18 0.00 -0.00 0.00 0.00 62.75 62.09 3kl9 n ILE 317 Cb 0.61 -1.07 0.08 0.00 -0.00 0.00 0.00 39.64 39.25 3kl9 n ILE 317 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 3kl9 n HIS 318 N -2.74 -2.23 -3.93 1.39 8.25 -1.26 -5.01 115.22 109.69 3kl9 n HIS 318 Ca 0.13 0.86 -0.12 0.00 -0.26 0.00 0.00 57.72 58.33 3kl9 n HIS 318 Cb 0.50 -4.66 -0.02 0.00 1.12 0.00 0.00 29.99 26.94 3kl9 n HIS 318 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kl9 n SER 319 N -2.70 -1.42 0.20 0.41 3.41 -1.23 -4.67 113.62 107.61 3kl9 n SER 319 Ca -0.13 -2.63 0.09 0.00 -0.26 0.00 0.00 58.87 55.93 3kl9 n SER 319 Cb 0.60 2.56 0.13 0.00 -0.26 0.00 0.00 64.21 67.24 3kl9 n SER 319 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3kl9 h HIS 320 N 1.90 0.00 -3.13 7.33 3.86 -1.89 -3.40 115.15 119.83 3kl9 h HIS 320 Ca -0.26 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.33 3kl9 h HIS 320 Cb 1.08 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 29.13 3kl9 h HIS 320 CO 0.00 0.16 -0.59 -0.65 0.86 0.00 0.00 177.93 177.72 3kl9 s GLN 321 N -3.14 2.37 -0.15 2.45 -1.52 -1.26 -3.42 119.66 114.99 3kl9 s GLN 321 Ca 0.06 -3.22 -0.12 0.00 -1.95 0.00 0.00 55.36 50.14 3kl9 s GLN 321 Cb 0.06 -3.39 -0.05 0.00 -0.22 0.00 0.00 33.01 29.41 3kl9 s GLN 321 CO 0.69 -1.26 0.23 0.99 -0.25 0.00 0.00 175.29 175.70 3kl9 s THR 322 N -1.25 5.34 -0.13 -0.19 2.01 0.11 -4.67 115.64 116.87 3kl9 s THR 322 Ca 0.24 0.42 -0.00 0.00 0.31 0.00 0.00 61.69 62.65 3kl9 s THR 322 Cb -0.08 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 3kl9 s THR 322 CO -0.14 0.46 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.91 3kl9 s LEU 323 N 0.01 2.72 0.19 4.42 0.20 -0.52 -1.55 118.68 124.15 3kl9 s LEU 323 Ca 0.15 -0.33 -0.18 0.00 0.69 0.00 0.00 54.13 54.46 3kl9 s LEU 323 Cb -0.13 -1.61 0.03 0.00 -0.43 0.00 0.00 46.19 44.05 3kl9 s LEU 323 CO 0.03 0.16 0.53 -0.72 -0.29 0.00 0.00 176.35 176.07 3kl9 s TYR 324 N 0.37 -0.15 -0.02 5.38 -0.85 -0.91 -0.23 117.35 120.94 3kl9 s TYR 324 Ca -0.11 -0.19 -0.07 0.00 -0.52 0.00 0.00 57.07 56.19 3kl9 s TYR 324 Cb -0.16 0.41 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 3kl9 s TYR 324 CO 0.06 -0.92 0.24 0.00 -1.52 0.00 0.00 175.55 173.41 3kl9 s ALA 325 N -3.87 3.86 0.12 9.51 0.00 -1.26 -1.21 121.76 128.91 3kl9 s ALA 325 Ca 0.09 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.48 3kl9 s ALA 325 Cb -0.01 -2.04 -0.19 0.00 0.00 0.00 0.00 23.12 20.88 3kl9 s ALA 325 CO -0.03 0.65 1.26 0.52 0.00 0.00 0.00 175.76 178.15 3kl9 h MET 326 N 4.20 0.11 -0.55 0.00 2.86 -1.80 -3.27 114.93 116.48 3kl9 h MET 326 Ca -0.51 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 56.94 3kl9 h MET 326 Cb 1.20 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.90 3kl9 h MET 326 CO 0.65 1.05 0.26 0.22 1.06 0.00 0.00 176.91 180.15 3kl9 h ASP 327 N 0.04 0.69 -0.54 1.22 3.58 -1.95 -2.60 116.42 116.86 3kl9 h ASP 327 Ca -0.05 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.29 3kl9 h ASP 327 Cb 1.78 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 42.62 3kl9 h ASP 327 CO 0.15 0.58 0.19 0.44 -2.88 0.00 0.00 179.24 177.72 3kl9 h ASP 328 N 0.77 0.80 -0.15 2.28 3.32 -1.91 -1.10 116.42 120.43 3kl9 h ASP 328 Ca 0.19 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3kl9 h ASP 328 Cb 0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3kl9 h ASP 328 CO -0.03 0.75 0.07 0.15 -1.72 0.00 0.00 179.24 178.46 3kl9 h PHE 329 N 0.85 0.22 -0.66 4.55 3.57 -1.56 -0.86 116.94 123.05 3kl9 h PHE 329 Ca 0.19 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.73 3kl9 h PHE 329 Cb 0.24 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 3kl9 h PHE 329 CO 0.02 0.27 0.39 -0.07 -2.23 0.00 0.00 178.31 176.68 3kl9 h LEU 330 N 0.10 0.60 -0.64 0.59 3.38 -1.21 0.16 115.31 118.29 3kl9 h LEU 330 Ca 0.05 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kl9 h LEU 330 Cb 0.14 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3kl9 h LEU 330 CO -0.01 0.40 0.24 -0.33 0.09 0.00 0.00 178.44 178.84 3kl9 h GLU 331 N 0.74 0.96 -0.33 1.13 4.39 -1.05 -1.22 114.58 119.19 3kl9 h GLU 331 Ca 0.28 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 3kl9 h GLU 331 Cb 0.11 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3kl9 h GLU 331 CO -0.15 0.82 -0.17 0.00 -1.16 0.00 0.00 179.01 178.35 3kl9 h ALA 332 N 1.10 0.46 -0.10 3.43 0.00 -0.66 -1.97 119.26 121.52 3kl9 h ALA 332 Ca 0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kl9 h ALA 332 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kl9 h ALA 332 CO -0.01 0.38 0.05 0.37 0.00 0.00 0.00 179.25 180.04 3kl9 h GLN 333 N 0.46 0.14 -0.66 0.00 5.75 -0.58 0.28 115.11 120.51 3kl9 h GLN 333 Ca 0.07 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3kl9 h GLN 333 Cb 0.70 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 3kl9 h GLN 333 CO 0.05 0.19 0.43 0.00 -2.65 0.00 0.00 178.83 176.84 3kl9 h ALA 334 N 0.94 1.51 -0.48 3.38 0.00 -1.26 -0.10 119.26 123.25 3kl9 h ALA 334 Ca 0.03 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3kl9 h ALA 334 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kl9 h ALA 334 CO -0.01 0.45 -0.21 0.35 0.00 0.00 0.00 179.25 179.83 3kl9 h PHE 335 N 0.90 1.13 0.10 0.00 -0.00 -0.76 -2.36 116.94 115.96 3kl9 h PHE 335 Ca 0.24 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.97 57.93 3kl9 h PHE 335 Cb -0.08 -0.26 0.00 0.00 -0.00 0.00 0.00 35.95 35.60 3kl9 h PHE 335 CO 0.00 1.10 -0.05 1.25 -0.00 0.00 0.00 178.31 180.61 3kl9 h LEU 336 N 0.84 -0.11 -0.37 0.59 6.46 0.32 -2.15 115.31 120.89 3kl9 h LEU 336 Ca 0.11 -0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 3kl9 h LEU 336 Cb 0.79 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.70 3kl9 h LEU 336 CO 0.07 0.06 0.09 1.56 -0.62 0.00 0.00 178.44 179.59 3kl9 h GLN 337 N -0.28 0.21 -0.35 1.25 4.20 -1.01 -1.84 115.11 117.29 3kl9 h GLN 337 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3kl9 h GLN 337 Cb 0.23 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3kl9 h GLN 337 CO 0.02 0.14 0.23 0.00 -0.67 0.00 0.00 178.83 178.55 3kl9 h ALA 338 N 1.27 0.45 -0.46 3.87 0.00 -1.40 -1.39 119.26 121.60 3kl9 h ALA 338 Ca 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kl9 h ALA 338 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3kl9 h ALA 338 CO -0.22 -0.08 0.27 -0.07 0.00 0.00 0.00 179.25 179.15 3kl9 h LEU 339 N 0.47 0.43 -0.38 0.00 3.38 -0.75 -0.89 115.31 117.56 3kl9 h LEU 339 Ca 0.13 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 3kl9 h LEU 339 Cb -0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3kl9 h LEU 339 CO -0.03 0.30 -0.77 -0.37 0.09 0.00 0.00 178.44 177.67 3kl9 h VAL 340 N 0.54 1.40 0.00 1.22 -1.51 -1.22 -1.79 116.25 114.88 3kl9 h VAL 340 Ca 0.19 -2.24 -0.02 0.00 -1.23 0.00 0.00 66.70 63.39 3kl9 h VAL 340 Cb 0.02 2.20 -0.00 0.00 -2.13 0.00 0.00 31.29 31.38 3kl9 h VAL 340 CO -0.09 0.67 -0.11 0.11 -1.23 0.00 0.00 177.57 176.91 3kl9 h LYS 341 N 0.23 0.00 0.00 5.19 1.57 -1.03 -2.87 116.57 119.66 3kl9 h LYS 341 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kl9 h LYS 341 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3kl9 h LYS 341 CO 0.13 0.11 -0.98 1.17 -0.57 0.00 0.00 179.45 179.32 3kl9 n LYS 342 N -3.74 0.22 -2.57 3.15 4.81 -0.36 -4.72 118.16 114.95 3kl9 n LYS 342 Ca -0.02 -0.01 -0.43 0.00 -0.87 0.00 0.00 58.31 56.98 3kl9 n LYS 342 Cb 0.22 -1.57 -0.02 0.00 0.02 0.00 0.00 35.03 33.68 3kl9 n LYS 342 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kl9 s LEU 343 N -3.70 4.14 0.00 3.14 1.43 -0.71 -4.72 118.68 118.26 3kl9 s LEU 343 Ca 0.05 1.51 -0.04 0.00 -1.03 0.00 0.00 54.13 54.62 3kl9 s LEU 343 Cb 0.15 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.84 3kl9 s LEU 343 CO 0.80 -0.69 0.40 -0.90 0.23 0.00 0.00 176.35 176.20 3kl9 n ASP 344 N 6.31 -1.14 -0.33 2.29 3.85 -1.26 -3.29 116.55 122.98 3kl9 n ASP 344 Ca 0.12 -2.29 0.11 0.00 -0.71 0.00 0.00 54.79 52.02 3kl9 n ASP 344 Cb 0.46 2.05 0.32 0.00 -1.35 0.00 0.00 41.12 42.59 3kl9 n ASP 344 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 3kl9 h ARG 345 N 0.00 0.79 0.00 0.11 9.65 -1.86 -1.47 114.38 121.60 3kl9 h ARG 345 Ca -0.21 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.63 3kl9 h ARG 345 Cb 0.85 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 3kl9 h ARG 345 CO 0.27 0.52 -0.00 0.77 2.80 0.00 0.00 179.97 184.33 3kl9 h SER 346 N 0.81 -0.00 0.18 -3.80 0.02 -1.95 -2.55 113.55 106.26 3kl9 h SER 346 Ca 0.51 -0.27 -0.18 0.00 -0.84 0.00 0.00 61.79 61.01 3kl9 h SER 346 Cb 0.72 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 3kl9 h SER 346 CO -0.28 0.27 -0.69 0.71 -1.14 0.00 0.00 176.83 175.70 3kl9 h THR 347 N -0.27 1.36 0.00 -2.27 1.35 -1.68 -1.89 112.91 109.51 3kl9 h THR 347 Ca -0.00 -2.04 -0.12 0.00 -0.55 0.00 0.00 66.41 63.69 3kl9 h THR 347 Cb 0.27 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 3kl9 h THR 347 CO 0.00 0.62 -0.59 -0.37 -0.25 0.00 0.00 175.52 174.93 3kl9 h VAL 348 N 0.32 1.06 -0.57 6.82 -1.51 -1.39 -0.96 116.25 120.03 3kl9 h VAL 348 Ca -0.02 -2.35 -0.06 0.00 -1.23 0.00 0.00 66.70 63.04 3kl9 h VAL 348 Cb 1.25 2.42 -0.02 0.00 -2.13 0.00 0.00 31.29 32.81 3kl9 h VAL 348 CO 0.12 0.58 0.10 0.44 -1.23 0.00 0.00 177.57 177.58 3kl9 h ASP 349 N 0.00 0.85 -0.08 4.19 5.19 -1.31 -0.40 116.42 124.86 3kl9 h ASP 349 Ca -0.01 -0.18 -0.21 0.00 -0.62 0.00 0.00 57.03 56.02 3kl9 h ASP 349 Cb 1.37 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.66 3kl9 h ASP 349 CO 0.08 0.85 -0.71 0.25 -3.12 0.00 0.00 179.24 176.58 3kl9 h LEU 350 N 0.85 0.84 -0.48 1.55 6.46 -1.14 -0.66 115.31 122.74 3kl9 h LEU 350 Ca 0.18 -0.53 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 3kl9 h LEU 350 Cb 0.36 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 3kl9 h LEU 350 CO 0.01 1.31 0.32 0.40 -0.62 0.00 0.00 178.44 179.85 3kl9 h ILE 351 N 0.51 1.12 -0.27 4.05 2.04 -1.05 -2.54 117.51 121.38 3kl9 h ILE 351 Ca -0.03 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3kl9 h ILE 351 Cb 1.32 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3kl9 h ILE 351 CO 0.14 0.12 0.00 0.29 0.00 0.00 0.00 178.15 178.70 3kl9 n LYS 352 N -4.75 2.78 -1.90 2.37 5.02 -0.17 -4.30 118.16 117.21 3kl9 n LYS 352 Ca 0.02 -1.45 -0.32 0.00 -2.02 0.00 0.00 58.31 54.54 3kl9 n LYS 352 Cb 0.02 -1.84 -0.04 0.00 -0.02 0.00 0.00 35.03 33.15 3kl9 n LYS 352 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3kl9 s HIS 353 N -1.81 1.53 -1.94 2.13 2.46 -0.27 -4.99 115.29 112.41 3kl9 s HIS 353 Ca 0.25 1.03 0.15 0.00 0.47 0.00 0.00 55.06 56.97 3kl9 s HIS 353 Cb 0.19 -3.91 0.12 0.00 -0.13 0.00 0.00 32.58 28.86 3kl9 s HIS 353 CO 0.08 -2.10 0.99 0.66 -2.47 0.00 0.00 174.74 171.89