#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 0.77 0.11 -4.42 6.46 -2.04 -1.72 115.31 114.46 3kl9 h LEU 4 Ca 0.00 -0.24 0.01 0.00 -0.12 0.00 0.00 57.88 57.53 3kl9 h LEU 4 Cb 0.00 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 3kl9 h LEU 4 CO 0.00 0.81 -0.15 0.15 -0.62 0.00 0.00 178.44 178.62 3kl9 h PHE 5 N 0.70 -0.40 -0.67 1.25 3.04 -2.02 0.68 116.94 119.52 3kl9 h PHE 5 Ca 0.16 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.17 3kl9 h PHE 5 Cb 0.34 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.96 3kl9 h PHE 5 CO 0.02 -0.23 0.37 0.77 -2.02 0.00 0.00 178.31 177.22 3kl9 h SER 6 N -0.31 0.56 -0.62 0.41 0.02 -1.97 1.36 113.55 113.00 3kl9 h SER 6 Ca 0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3kl9 h SER 6 Cb 0.32 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3kl9 h SER 6 CO -0.07 0.36 0.39 0.11 -1.14 0.00 0.00 176.83 176.48 3kl9 h LYS 7 N 0.69 0.83 0.17 3.45 1.57 -1.04 0.16 116.57 122.40 3kl9 h LYS 7 Ca 0.30 -0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.71 3kl9 h LYS 7 Cb 0.17 -0.18 0.03 0.00 0.08 0.00 0.00 32.23 32.34 3kl9 h LYS 7 CO -0.18 0.56 -1.32 0.82 -0.57 0.00 0.00 179.45 178.77 3kl9 h ILE 8 N 0.85 1.29 -0.45 1.86 2.04 0.60 -3.17 117.51 120.53 3kl9 h ILE 8 Ca 0.23 -2.55 0.06 0.00 1.00 0.00 0.00 64.86 63.60 3kl9 h ILE 8 Cb -0.07 2.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 3kl9 h ILE 8 CO -0.05 0.77 0.14 0.50 0.00 0.00 0.00 178.15 179.51 3kl9 h LYS 9 N 0.20 0.29 0.23 2.37 3.64 0.23 -1.75 116.57 121.77 3kl9 h LYS 9 Ca -0.21 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3kl9 h LYS 9 Cb 2.00 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.74 3kl9 h LYS 9 CO 0.25 0.19 -0.24 1.49 -2.27 0.00 0.00 179.45 178.88 3kl9 h GLU 10 N 0.30 -0.48 -0.39 1.90 4.81 -0.79 -2.45 114.58 117.48 3kl9 h GLU 10 Ca 0.22 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 3kl9 h GLU 10 Cb 0.24 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3kl9 h GLU 10 CO -0.24 -0.32 -0.14 -0.39 -0.73 0.00 0.00 179.01 177.19 3kl9 h VAL 11 N -0.50 1.28 0.00 0.32 -1.51 -1.50 -3.13 116.25 111.21 3kl9 h VAL 11 Ca -0.00 -1.25 -0.08 0.00 -1.23 0.00 0.00 66.70 64.14 3kl9 h VAL 11 Cb 0.47 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 3kl9 h VAL 11 CO -0.06 0.42 -0.36 0.71 -1.23 0.00 0.00 177.57 177.04 3kl9 h THR 12 N 0.59 1.18 -0.00 7.19 1.35 -1.33 -2.92 112.91 118.95 3kl9 h THR 12 Ca 0.09 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3kl9 h THR 12 Cb 0.68 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3kl9 h THR 12 CO 0.05 0.35 -0.27 -0.62 -0.25 0.00 0.00 175.52 174.78 3kl9 n GLU 13 N -3.99 0.47 -2.22 4.72 1.02 -0.92 -4.71 120.64 115.01 3kl9 n GLU 13 Ca -0.02 -0.23 -0.39 0.00 -0.02 0.00 0.00 57.16 56.50 3kl9 n GLU 13 Cb 0.41 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 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 -2.69 4.24 -0.29 -4.62 1.43 -1.11 -5.02 118.68 110.62 3kl9 s LEU 14 Ca 0.21 2.46 -0.07 0.00 -1.03 0.00 0.00 54.13 55.69 3kl9 s LEU 14 Cb 0.19 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3kl9 s LEU 14 CO 0.56 -0.69 0.09 0.00 0.23 0.00 0.00 176.35 176.54 3kl9 s ALA 15 N -1.33 3.11 -0.32 4.21 0.00 -1.26 -5.03 121.76 121.14 3kl9 s ALA 15 Ca 0.56 -1.40 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3kl9 s ALA 15 Cb -0.34 -2.18 0.17 0.00 0.00 0.00 0.00 23.12 20.78 3kl9 s ALA 15 CO 0.43 -0.86 0.49 0.00 0.00 0.00 0.00 175.76 175.82 3kl9 s ALA 16 N 1.53 -1.63 0.62 0.00 0.00 -1.26 -4.72 121.76 116.30 3kl9 s ALA 16 Ca 0.03 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 3kl9 s ALA 16 Cb -0.17 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 3kl9 s ALA 16 CO 0.03 -1.90 1.03 0.08 0.00 0.00 0.00 175.76 175.00 3kl9 s VAL 17 N 2.37 4.69 0.16 0.00 1.01 -1.26 -0.83 120.40 126.54 3kl9 s VAL 17 Ca 0.12 0.87 -0.34 0.00 0.00 0.00 0.00 61.98 62.63 3kl9 s VAL 17 Cb -0.11 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 3kl9 s VAL 17 CO -0.22 -1.14 1.35 -1.20 0.00 0.00 0.00 175.10 173.88 3kl9 n SER 18 N -2.75 2.08 0.00 3.32 7.64 -1.24 -0.88 113.62 121.79 3kl9 n SER 18 Ca 0.06 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3kl9 n SER 18 Cb 0.54 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 2.45 2.52 2.57 0.23 0.00 -1.26 -4.89 105.19 106.80 3kl9 n GLY 19 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 2.37 -0.92 1.61 -0.00 -0.06 -4.90 115.22 111.33 3kl9 n HIS 20 Ca 0.00 -3.14 0.08 0.00 -0.00 0.00 0.00 57.72 54.66 3kl9 n HIS 20 Cb 0.00 -0.26 0.35 0.00 -0.00 0.00 0.00 29.99 30.08 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 -0.24 4.12 -0.26 -0.41 0.00 -1.25 -4.03 120.64 118.57 3kl9 n GLU 21 Ca 0.26 -3.03 0.06 0.00 0.00 0.00 0.00 57.16 54.45 3kl9 n GLU 21 Cb 0.69 -2.09 0.18 0.00 0.00 0.00 0.00 31.44 30.23 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 3.19 0.90 -0.07 -1.84 0.00 -1.93 0.37 119.26 119.89 3kl9 h ALA 22 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kl9 h ALA 22 Cb 1.75 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 3kl9 h ALA 22 CO 0.38 -0.40 0.03 -1.35 0.00 0.00 0.00 179.25 177.90 3kl9 h PRO 23 N 0.17 0.09 0.07 0.00 0.11 -1.84 0.19 132.00 130.79 3kl9 h PRO 23 Ca 0.43 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 66.25 3kl9 h PRO 23 Cb 0.77 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 3kl9 h PRO 23 CO -0.61 0.08 -1.43 0.28 -0.21 0.00 0.00 178.00 176.11 3kl9 h VAL 24 N 0.09 1.24 -0.51 3.15 2.07 -1.58 -3.08 116.25 117.63 3kl9 h VAL 24 Ca 0.02 -2.93 0.01 0.00 0.82 0.00 0.00 66.70 64.62 3kl9 h VAL 24 Cb 0.02 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 3kl9 h VAL 24 CO -0.00 0.80 0.33 -0.09 0.02 0.00 0.00 177.57 178.63 3kl9 h ARG 25 N 0.04 0.66 -0.51 1.57 2.43 -0.26 -0.86 114.38 117.45 3kl9 h ARG 25 Ca -0.19 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.97 3kl9 h ARG 25 Cb 1.96 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 31.33 3kl9 h ARG 25 CO 0.14 0.44 0.34 0.00 -1.51 0.00 0.00 179.97 179.38 3kl9 h ALA 26 N 1.19 1.77 -0.07 2.80 0.00 -0.71 0.24 119.26 124.49 3kl9 h ALA 26 Ca 0.19 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3kl9 h ALA 26 Cb -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kl9 h ALA 26 CO -0.05 0.16 -0.44 -0.92 0.00 0.00 0.00 179.25 178.00 3kl9 h TYR 27 N 0.56 0.58 -0.41 0.00 5.03 -1.36 -2.89 116.97 118.48 3kl9 h TYR 27 Ca 0.21 -0.27 -0.14 0.00 2.58 0.00 0.00 58.73 61.11 3kl9 h TYR 27 Cb 0.13 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 3kl9 h TYR 27 CO -0.00 1.03 -0.29 -0.07 -1.32 0.00 0.00 178.16 177.51 3kl9 h LEU 28 N -0.04 0.96 -0.27 2.82 3.38 -0.69 -2.48 115.31 119.01 3kl9 h LEU 28 Ca -0.03 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.57 3kl9 h LEU 28 Cb 1.10 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 3kl9 h LEU 28 CO 0.09 1.19 -0.21 -0.09 0.09 0.00 0.00 178.44 179.52 3kl9 h ARG 29 N 0.74 -0.19 0.00 1.13 2.43 -0.62 0.54 114.38 118.42 3kl9 h ARG 29 Ca 0.08 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3kl9 h ARG 29 Cb 0.87 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3kl9 h ARG 29 CO 0.08 -0.12 -0.12 1.49 -1.51 0.00 0.00 179.97 179.78 3kl9 h GLU 30 N -0.19 0.00 0.00 0.20 4.22 -1.43 -1.66 114.58 115.72 3kl9 h GLU 30 Ca 0.15 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.54 3kl9 h GLU 30 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3kl9 h GLU 30 CO -0.38 0.12 -1.90 1.63 -2.18 0.00 0.00 179.01 176.30 3kl9 n LYS 31 N -3.95 0.66 0.05 1.92 5.02 -0.69 -4.39 118.16 116.77 3kl9 n LYS 31 Ca -0.02 -0.12 -0.21 0.00 -2.02 0.00 0.00 58.31 55.94 3kl9 n LYS 31 Cb 0.21 -1.57 -0.14 0.00 -0.02 0.00 0.00 35.03 33.51 3kl9 n LYS 31 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kl9 h LEU 32 N 0.00 0.49 -0.40 -0.35 4.07 0.22 -3.42 115.31 115.92 3kl9 h LEU 32 Ca -0.07 -0.82 0.08 0.00 0.08 0.00 0.00 57.88 57.15 3kl9 h LEU 32 Cb 1.16 -0.16 -0.07 0.00 1.08 0.00 0.00 40.66 42.67 3kl9 h LEU 32 CO 0.01 1.71 -0.03 0.74 -1.08 0.00 0.00 178.44 179.79 3kl9 h THR 33 N 0.09 0.67 0.00 0.22 2.02 -1.51 -2.39 112.91 112.01 3kl9 h THR 33 Ca -0.35 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3kl9 h THR 33 Cb 2.06 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 3kl9 h THR 33 CO 0.15 0.01 0.00 -0.65 0.37 0.00 0.00 175.52 175.40 3kl9 h PRO 34 N 0.07 0.00 -0.18 6.66 0.11 -1.82 -3.20 132.00 133.65 3kl9 h PRO 34 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 3kl9 h PRO 34 Cb 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 3kl9 h PRO 34 CO -0.35 0.00 -0.01 0.72 -0.21 0.00 0.00 178.00 178.15 3kl9 n HIS 35 N -2.40 0.66 -3.71 0.65 8.25 -0.90 -5.01 115.22 112.76 3kl9 n HIS 35 Ca 0.01 -0.95 -0.14 0.00 -0.26 0.00 0.00 57.72 56.39 3kl9 n HIS 35 Cb 0.22 -0.27 -0.08 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.87 0.04 0.15 1.59 1.01 -1.21 -4.72 120.40 114.39 3kl9 s VAL 36 Ca 0.39 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3kl9 s VAL 36 Cb 0.33 -0.69 -0.15 0.00 0.00 0.00 0.00 36.38 35.86 3kl9 s VAL 36 CO 0.07 -0.19 1.35 0.44 0.00 0.00 0.00 175.10 176.77 3kl9 h ASP 37 N 3.81 0.50 -3.58 3.32 3.32 -1.35 -3.47 116.42 118.96 3kl9 h ASP 37 Ca -0.29 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.27 3kl9 h ASP 37 Cb 1.17 -0.15 -0.25 0.00 0.22 0.00 0.00 39.33 40.32 3kl9 h ASP 37 CO 0.39 1.15 -0.26 -0.70 -1.72 0.00 0.00 179.24 178.10 3kl9 s GLU 38 N -3.39 0.45 -0.26 3.56 2.12 -1.13 -4.99 118.70 115.07 3kl9 s GLU 38 Ca -0.06 0.68 -0.04 0.00 0.36 0.00 0.00 54.97 55.91 3kl9 s GLU 38 Cb 0.09 0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.61 3kl9 s GLU 38 CO 0.85 -0.10 0.01 0.08 -0.54 0.00 0.00 175.26 175.56 3kl9 s VAL 39 N 0.76 3.50 0.40 3.70 1.01 -1.26 0.32 120.40 128.84 3kl9 s VAL 39 Ca -0.04 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.29 3kl9 s VAL 39 Cb -0.05 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.51 3kl9 s VAL 39 CO -0.06 0.22 0.01 0.68 0.00 0.00 0.00 175.10 175.95 3kl9 s VAL 40 N 1.45 1.94 -0.02 2.92 -7.23 0.80 -4.96 120.40 115.30 3kl9 s VAL 40 Ca 0.03 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.17 3kl9 s VAL 40 Cb -0.16 -2.97 0.01 0.00 0.56 0.00 0.00 36.38 33.82 3kl9 s VAL 40 CO -0.01 -0.01 0.05 0.28 -0.31 0.00 0.00 175.10 175.11 3kl9 s THR 41 N -2.75 -0.01 0.76 5.32 -1.32 -1.26 -1.00 115.64 115.38 3kl9 s THR 41 Ca 0.35 0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 60.83 3kl9 s THR 41 Cb 0.10 -0.09 0.14 0.00 -1.51 0.00 0.00 72.50 71.14 3kl9 s THR 41 CO 0.18 0.01 1.04 1.51 -2.21 0.00 0.00 174.62 175.15 3kl9 s ASP 42 N 0.14 4.15 0.62 8.08 1.47 -0.84 -4.96 116.67 125.33 3kl9 s ASP 42 Ca -0.01 -0.32 0.37 0.00 1.18 0.00 0.00 52.55 53.77 3kl9 s ASP 42 Cb -0.02 0.01 2.06 0.00 -0.34 0.00 0.00 42.92 44.63 3kl9 s ASP 42 CO -0.00 -2.00 2.28 1.23 0.68 0.00 0.00 175.17 177.36 3kl9 h GLY 43 N -0.69 0.00 0.00 2.12 0.00 -1.92 -2.81 103.07 99.78 3kl9 h GLY 43 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kl9 h GLY 43 CO 0.39 0.00 -0.77 1.04 0.00 0.00 0.00 176.54 177.20 3kl9 n LEU 44 N -3.43 0.63 0.00 3.11 4.32 -1.26 -5.00 117.00 115.37 3kl9 n LEU 44 Ca -0.03 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.51 3kl9 n LEU 44 Cb 0.10 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 3kl9 n LEU 44 CO 0.24 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 3kl9 n GLY 45 N 1.37 1.52 3.77 -0.72 0.00 -1.06 -4.95 105.19 105.12 3kl9 n GLY 45 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 2.91 -0.07 -0.02 0.00 -1.26 -4.83 107.32 102.05 3kl9 s GLY 46 Ca 0.00 1.11 0.03 0.00 0.00 0.00 0.00 44.72 45.86 3kl9 s GLY 46 CO 0.00 1.67 -0.17 -0.26 0.00 0.00 0.00 173.10 174.34 3kl9 s ILE 47 N -1.31 2.76 -0.05 0.90 -5.25 -1.14 -1.99 121.20 115.12 3kl9 s ILE 47 Ca 0.56 -0.81 -0.04 0.00 -0.99 0.00 0.00 60.65 59.37 3kl9 s ILE 47 Cb -0.35 -2.08 0.02 0.00 2.95 0.00 0.00 42.46 43.00 3kl9 s ILE 47 CO 0.45 0.57 0.12 -0.36 -1.79 0.00 0.00 174.94 173.92 3kl9 s PHE 48 N -0.30 -0.13 0.18 1.37 0.40 -0.17 -2.06 117.98 117.26 3kl9 s PHE 48 Ca 0.02 0.34 -0.15 0.00 -0.60 0.00 0.00 56.93 56.54 3kl9 s PHE 48 Cb -0.13 0.01 -0.07 0.00 0.51 0.00 0.00 43.02 43.34 3kl9 s PHE 48 CO 0.03 -0.08 0.60 0.20 0.70 0.00 0.00 175.22 176.66 3kl9 s GLY 49 N 0.30 2.47 -0.15 4.36 0.00 0.16 -0.14 107.32 114.32 3kl9 s GLY 49 Ca -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.61 3kl9 s GLY 49 CO -0.01 0.22 -0.07 -0.42 0.00 0.00 0.00 173.10 172.81 3kl9 s ILE 50 N -1.53 3.52 -0.38 0.90 1.01 0.15 -0.43 121.20 124.43 3kl9 s ILE 50 Ca 0.40 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 3kl9 s ILE 50 Cb -0.15 -2.53 0.10 0.00 0.01 0.00 0.00 42.46 39.89 3kl9 s ILE 50 CO 0.20 0.50 0.16 -0.75 0.00 0.00 0.00 174.94 175.04 3kl9 s LYS 51 N 0.50 2.06 0.38 2.79 2.20 0.40 -0.98 119.74 127.09 3kl9 s LYS 51 Ca -0.05 -1.71 -0.27 0.00 -0.36 0.00 0.00 55.97 53.58 3kl9 s LYS 51 Cb -0.15 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.59 3kl9 s LYS 51 CO 0.03 -0.98 1.28 -1.01 -0.36 0.00 0.00 175.35 174.32 3kl9 s HIS 52 N 1.15 2.94 -0.04 4.03 3.76 -1.26 -2.18 115.29 123.68 3kl9 s HIS 52 Ca 0.06 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 56.41 3kl9 s HIS 52 Cb -0.22 -3.63 -0.03 0.00 1.11 0.00 0.00 32.58 29.81 3kl9 s HIS 52 CO -0.04 -1.88 -0.02 0.45 -0.85 0.00 0.00 174.74 172.40 3kl9 s SER 53 N -0.72 4.99 0.18 1.40 0.15 -1.26 -4.83 113.70 113.61 3kl9 s SER 53 Ca 0.54 0.02 -0.00 0.00 0.70 0.00 0.00 55.95 57.21 3kl9 s SER 53 Cb -0.37 -1.31 0.06 0.00 -1.71 0.00 0.00 66.02 62.68 3kl9 s SER 53 CO 0.49 0.33 1.43 -0.33 1.20 0.00 0.00 173.24 176.36 3kl9 h GLU 54 N 4.83 0.35 -6.43 5.44 5.08 -1.94 -3.47 114.58 118.45 3kl9 h GLU 54 Ca -0.49 -0.30 -0.62 0.00 -1.00 0.00 0.00 59.36 56.94 3kl9 h GLU 54 Cb 1.18 0.07 0.09 0.00 0.50 0.00 0.00 28.75 30.58 3kl9 h GLU 54 CO 0.55 0.95 0.32 0.00 -1.00 0.00 0.00 179.01 179.84 3kl9 n ALA 55 N -2.50 -0.16 -1.77 3.43 0.00 -1.26 -4.94 120.51 113.31 3kl9 n ALA 55 Ca -0.04 0.43 -0.39 0.00 0.00 0.00 0.00 53.44 53.44 3kl9 n ALA 55 Cb 0.72 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 3kl9 n ALA 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kl9 s VAL 56 N -0.37 3.13 -1.65 0.00 -7.23 -1.26 -3.24 120.40 109.78 3kl9 s VAL 56 Ca 0.68 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.85 3kl9 s VAL 56 Cb -0.76 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 32.59 3kl9 s VAL 56 CO 0.54 0.14 0.00 -0.67 -0.31 0.00 0.00 175.10 174.79 3kl9 n ASP 57 N 0.34 -5.40 -4.68 4.85 2.03 -1.26 -4.90 116.55 107.53 3kl9 n ASP 57 Ca 0.03 0.07 -0.42 0.00 0.52 0.00 0.00 54.79 54.99 3kl9 n ASP 57 Cb 0.45 -4.54 -0.03 0.00 -0.72 0.00 0.00 41.12 36.29 3kl9 n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kl9 s ALA 58 N -2.91 3.68 0.50 -1.67 0.00 -1.20 -4.78 121.76 115.38 3kl9 s ALA 58 Ca 0.00 1.23 -0.20 0.00 0.00 0.00 0.00 51.96 52.99 3kl9 s ALA 58 Cb 0.00 -3.72 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 3kl9 s ALA 58 CO 0.00 -1.19 1.08 -1.25 0.00 0.00 0.00 175.76 174.39 3kl9 s PRO 59 N 2.95 3.67 -0.12 0.00 0.04 -1.26 -4.45 135.00 135.83 3kl9 s PRO 59 Ca 0.76 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 63.03 3kl9 s PRO 59 Cb -0.40 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 3kl9 s PRO 59 CO 0.33 -0.56 0.81 1.03 0.04 0.00 0.00 177.00 178.65 3kl9 s ARG 60 N -3.18 4.37 -0.18 4.56 0.52 -1.26 -0.38 118.95 123.40 3kl9 s ARG 60 Ca 0.68 1.03 -0.01 0.00 -0.52 0.00 0.00 55.73 56.91 3kl9 s ARG 60 Cb -0.20 -3.52 -0.00 0.00 0.52 0.00 0.00 34.95 31.75 3kl9 s ARG 60 CO 0.23 -0.18 -0.12 0.08 0.02 0.00 0.00 175.30 175.34 3kl9 s VAL 61 N 1.61 2.84 -0.21 3.52 1.01 -0.96 -0.52 120.40 127.69 3kl9 s VAL 61 Ca 0.40 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 3kl9 s VAL 61 Cb -0.17 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 3kl9 s VAL 61 CO 0.16 0.49 0.13 -0.22 0.00 0.00 0.00 175.10 175.66 3kl9 s LEU 62 N 1.07 4.17 -0.20 3.92 2.96 -0.63 -0.40 118.68 129.55 3kl9 s LEU 62 Ca -0.00 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3kl9 s LEU 62 Cb -0.15 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.51 3kl9 s LEU 62 CO -0.03 0.16 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.38 3kl9 s VAL 63 N 0.47 1.56 -0.03 1.68 1.01 0.19 -0.17 120.40 125.12 3kl9 s VAL 63 Ca 0.08 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 3kl9 s VAL 63 Cb -0.11 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.62 3kl9 s VAL 63 CO -0.01 0.12 0.03 0.00 0.00 0.00 0.00 175.10 175.25 3kl9 s ALA 64 N 1.42 0.14 0.37 5.51 0.00 -0.64 -0.89 121.76 127.68 3kl9 s ALA 64 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3kl9 s ALA 64 Cb -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3kl9 s ALA 64 CO -0.08 -0.19 0.00 -1.13 0.00 0.00 0.00 175.76 174.36 3kl9 n SER 65 N 4.44 0.00 -4.02 0.00 3.41 -0.71 -1.40 113.62 115.34 3kl9 n SER 65 Ca -0.22 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.28 3kl9 n SER 65 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 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 1.28 0.45 -0.10 7.33 -3.43 -1.26 0.76 115.29 120.32 3kl9 s HIS 66 Ca 0.00 -0.51 0.16 0.00 -0.80 0.00 0.00 55.06 53.90 3kl9 s HIS 66 Cb 0.00 -0.29 -0.14 0.00 -1.43 0.00 0.00 32.58 30.72 3kl9 s HIS 66 CO 0.00 -0.14 0.85 0.52 -2.00 0.00 0.00 174.74 173.97 3kl9 h MET 67 N 4.58 0.00 -7.03 -0.38 2.86 -1.27 -3.42 114.93 110.27 3kl9 h MET 67 Ca -0.34 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 56.85 3kl9 h MET 67 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 3kl9 h MET 67 CO 0.41 0.36 0.36 0.16 1.06 0.00 0.00 176.91 179.25 3kl9 s ASP 68 N -5.91 6.84 0.46 1.22 -4.77 -1.26 -4.82 116.67 108.43 3kl9 s ASP 68 Ca -0.03 1.80 0.05 0.00 -3.30 0.00 0.00 52.55 51.07 3kl9 s ASP 68 Cb 0.08 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.32 3kl9 s ASP 68 CO 0.81 -0.43 0.04 -1.83 0.70 0.00 0.00 175.17 174.46 3kl9 s GLU 69 N -2.98 2.10 0.44 2.11 -1.05 -0.01 -4.21 118.70 115.10 3kl9 s GLU 69 Ca 0.61 -2.20 -0.18 0.00 -0.15 0.00 0.00 54.97 53.05 3kl9 s GLU 69 Cb -0.13 -1.65 -0.09 0.00 -0.44 0.00 0.00 34.13 31.81 3kl9 s GLU 69 CO 0.17 -0.21 0.93 0.14 0.95 0.00 0.00 175.26 177.24 3kl9 s VAL 70 N -2.77 4.49 0.00 1.83 -7.23 -1.26 -3.70 120.40 111.76 3kl9 s VAL 70 Ca 0.23 1.28 0.00 0.00 -1.81 0.00 0.00 61.98 61.69 3kl9 s VAL 70 Cb 0.05 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.35 3kl9 s VAL 70 CO 0.12 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 3kl9 n GLY 71 N -0.96 1.49 3.31 2.32 0.00 -0.53 -4.50 105.19 106.33 3kl9 n GLY 71 Ca 0.06 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.50 1.47 -0.02 1.61 0.40 0.00 -0.61 117.98 118.34 3kl9 s PHE 72 Ca 0.00 -0.98 0.02 0.00 -0.60 0.00 0.00 56.93 55.37 3kl9 s PHE 72 Cb 0.00 -0.85 0.00 0.00 0.51 0.00 0.00 43.02 42.68 3kl9 s PHE 72 CO 0.00 -0.12 -0.07 1.41 0.70 0.00 0.00 175.22 177.14 3kl9 s MET 73 N -3.90 0.72 -0.02 0.44 1.75 -0.16 -0.12 119.30 118.01 3kl9 s MET 73 Ca 0.29 -0.23 -0.30 0.00 -1.25 0.00 0.00 55.69 54.20 3kl9 s MET 73 Cb 0.06 -0.70 -0.08 0.00 2.84 0.00 0.00 34.83 36.96 3kl9 s MET 73 CO 0.08 0.09 1.93 0.08 -0.65 0.00 0.00 175.02 176.55 3kl9 s VAL 74 N 0.18 3.14 -0.10 10.11 1.01 -0.34 -0.73 120.40 133.66 3kl9 s VAL 74 Ca -0.02 0.17 0.15 0.00 0.00 0.00 0.00 61.98 62.27 3kl9 s VAL 74 Cb -0.07 -3.12 -0.24 0.00 0.00 0.00 0.00 36.38 32.96 3kl9 s VAL 74 CO 0.00 -0.02 0.45 -1.54 0.00 0.00 0.00 175.10 173.98 3kl9 n SER 75 N 7.96 0.55 -3.44 3.32 3.41 -0.15 -0.43 113.62 124.84 3kl9 n SER 75 Ca 0.20 0.26 -0.12 0.00 -0.26 0.00 0.00 58.87 58.96 3kl9 n SER 75 Cb 0.42 0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 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 -2.56 1.20 -0.25 4.33 -1.05 -1.11 -4.84 118.70 114.43 3kl9 s GLU 76 Ca -0.07 -0.42 -0.07 0.00 -0.15 0.00 0.00 54.97 54.27 3kl9 s GLU 76 Cb 0.07 0.56 -0.03 0.00 -0.44 0.00 0.00 34.13 34.29 3kl9 s GLU 76 CO 0.83 -0.52 0.06 0.42 0.95 0.00 0.00 175.26 177.00 3kl9 s ILE 77 N -3.55 4.23 0.77 1.83 1.01 -1.26 -2.12 121.20 122.11 3kl9 s ILE 77 Ca 0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 3kl9 s ILE 77 Cb -0.01 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.53 3kl9 s ILE 77 CO -0.11 0.33 1.10 -0.54 0.00 0.00 0.00 174.94 175.71 3kl9 s LYS 78 N 1.60 2.21 0.50 2.79 -0.14 -0.33 -4.94 119.74 121.42 3kl9 s LYS 78 Ca 0.06 1.22 0.17 0.00 -1.36 0.00 0.00 55.97 56.05 3kl9 s LYS 78 Cb -0.15 -1.89 1.23 0.00 -1.68 0.00 0.00 37.83 35.34 3kl9 s LYS 78 CO 0.03 -1.69 2.10 -1.35 -0.76 0.00 0.00 175.35 173.68 3kl9 h PRO 79 N -1.09 0.09 0.00 -1.68 0.11 -1.97 -1.98 132.00 125.47 3kl9 h PRO 79 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kl9 h PRO 79 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kl9 h PRO 79 CO 0.51 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 3kl9 n ASP 80 N -4.50 0.00 0.00 -2.05 5.68 -1.26 -0.38 116.55 114.04 3kl9 n ASP 80 Ca 0.01 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 3kl9 n ASP 80 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3kl9 n ASP 80 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kl9 n GLY 81 N 0.87 0.74 3.90 6.12 0.00 -0.74 -3.78 105.19 112.30 3kl9 n GLY 81 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.28 2.00 0.03 2.61 -4.23 -1.26 -4.62 115.64 107.89 3kl9 s THR 82 Ca 0.00 -0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 3kl9 s THR 82 Cb 0.00 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 3kl9 s THR 82 CO 0.00 0.00 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.49 3kl9 s PHE 83 N -3.62 2.06 0.02 3.99 0.08 0.22 -1.19 117.98 119.54 3kl9 s PHE 83 Ca 0.64 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.30 3kl9 s PHE 83 Cb -0.10 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 3kl9 s PHE 83 CO 0.50 0.07 0.08 1.03 -0.10 0.00 0.00 175.22 176.80 3kl9 s ARG 84 N -1.03 3.02 0.34 0.44 1.81 -0.90 -1.40 118.95 121.23 3kl9 s ARG 84 Ca 0.09 -0.54 0.05 0.00 -1.72 0.00 0.00 55.73 53.61 3kl9 s ARG 84 Cb -0.09 -2.82 -0.07 0.00 -0.45 0.00 0.00 34.95 31.52 3kl9 s ARG 84 CO 0.01 0.62 0.02 0.14 -0.68 0.00 0.00 175.30 175.42 3kl9 s VAL 85 N -1.25 1.51 0.13 3.52 -7.23 -1.26 -0.98 120.40 114.84 3kl9 s VAL 85 Ca 0.25 -2.02 0.11 0.00 -1.81 0.00 0.00 61.98 58.50 3kl9 s VAL 85 Cb -0.12 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 3kl9 s VAL 85 CO 0.16 -0.05 -0.25 0.54 -0.31 0.00 0.00 175.10 175.19 3kl9 s VAL 86 N -3.08 2.35 0.11 1.32 0.11 0.09 -4.31 120.40 117.00 3kl9 s VAL 86 Ca 0.35 -1.75 -0.28 0.00 -2.93 0.00 0.00 61.98 57.37 3kl9 s VAL 86 Cb 0.08 -2.06 -0.06 0.00 -1.53 0.00 0.00 36.38 32.81 3kl9 s VAL 86 CO 0.16 0.07 0.88 -1.83 -3.33 0.00 0.00 175.10 171.05 3kl9 s GLU 87 N -2.14 4.65 -0.41 1.54 -1.05 -1.26 -0.99 118.70 119.04 3kl9 s GLU 87 Ca 0.15 1.31 -0.06 0.00 -0.15 0.00 0.00 54.97 56.22 3kl9 s GLU 87 Cb -0.10 -3.35 0.09 0.00 -0.44 0.00 0.00 34.13 30.34 3kl9 s GLU 87 CO 0.07 0.31 0.23 0.42 0.95 0.00 0.00 175.26 177.24 3kl9 s ILE 88 N -0.30 3.77 0.00 1.83 1.01 0.22 -4.89 121.20 122.84 3kl9 s ILE 88 Ca 0.42 -1.68 0.00 0.00 0.00 0.00 0.00 60.65 59.40 3kl9 s ILE 88 Cb -0.23 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3kl9 s ILE 88 CO 0.28 -0.57 0.00 0.61 0.00 0.00 0.00 174.94 175.26 3kl9 n GLY 89 N 4.77 -0.27 3.63 6.18 0.00 -1.26 -1.45 105.19 116.81 3kl9 n GLY 89 Ca -0.07 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.84 1.37 -0.11 -0.02 0.00 -1.26 -4.82 107.32 100.64 3kl9 s GLY 90 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.95 3kl9 s GLY 90 CO 0.00 2.69 -0.02 -0.98 0.00 0.00 0.00 173.10 174.80 3kl9 s TRP 91 N 4.49 3.09 -0.38 1.90 0.52 -1.26 -4.93 118.94 122.38 3kl9 s TRP 91 Ca 0.60 0.00 -0.29 0.00 0.02 0.00 0.00 56.10 56.44 3kl9 s TRP 91 Cb -0.20 -1.86 0.02 0.00 -1.15 0.00 0.00 33.47 30.28 3kl9 s TRP 91 CO 0.24 0.26 1.17 1.21 0.02 0.00 0.00 176.95 179.85 3kl9 s ASN 92 N -0.37 6.73 0.51 2.95 3.84 -1.26 -4.92 114.94 122.42 3kl9 s ASN 92 Ca 0.07 0.87 0.25 0.00 0.21 0.00 0.00 52.86 54.25 3kl9 s ASN 92 Cb -0.12 -2.54 1.33 0.00 -0.55 0.00 0.00 41.25 39.37 3kl9 s ASN 92 CO 0.02 -1.10 1.72 -0.65 -2.79 0.00 0.00 177.10 174.30 3kl9 h PRO 93 N 8.94 0.00 0.00 0.43 0.11 -1.98 -0.30 132.00 139.19 3kl9 h PRO 93 Ca -0.23 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 3kl9 h PRO 93 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kl9 h PRO 93 CO 1.07 0.00 -0.11 0.52 -0.21 0.00 0.00 178.00 179.27 3kl9 h MET 94 N 0.00 0.00 -0.06 1.05 2.86 -1.93 -3.18 114.93 113.67 3kl9 h MET 94 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kl9 h MET 94 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3kl9 h MET 94 CO 0.00 0.11 0.00 1.33 1.06 0.00 0.00 176.91 179.41 3kl9 n VAL 95 N -3.41 0.05 0.02 -2.22 0.24 -0.12 -4.60 118.33 108.29 3kl9 n VAL 95 Ca -0.01 -0.53 -0.18 0.00 -2.04 0.00 0.00 64.34 61.59 3kl9 n VAL 95 Cb 0.28 1.42 -0.14 0.00 -1.47 0.00 0.00 33.84 33.94 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 4.46 0.81 -4.00 3.34 2.07 -1.69 -3.47 116.25 117.76 3kl9 h VAL 96 Ca 0.00 -2.53 -0.52 0.00 0.82 0.00 0.00 66.70 64.46 3kl9 h VAL 96 Cb 0.95 2.57 0.09 0.00 -1.52 0.00 0.00 31.29 33.38 3kl9 h VAL 96 CO 0.00 0.79 0.55 -0.44 0.02 0.00 0.00 177.57 178.49 3kl9 s SER 97 N -6.84 5.93 -1.00 0.57 0.01 -1.26 -3.92 113.70 107.18 3kl9 s SER 97 Ca -0.15 2.52 -0.12 0.00 1.31 0.00 0.00 55.95 59.51 3kl9 s SER 97 Cb 0.07 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 3kl9 s SER 97 CO 0.81 -1.10 0.77 -1.20 0.41 0.00 0.00 173.24 172.93 3kl9 n SER 98 N -0.51 -5.99 -3.93 2.44 7.64 -0.86 -4.99 113.62 107.41 3kl9 n SER 98 Ca 0.07 -0.77 -0.15 0.00 1.01 0.00 0.00 58.87 59.03 3kl9 n SER 98 Cb 0.46 -3.83 -0.14 0.00 -1.01 0.00 0.00 64.21 59.69 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 -5.00 0.32 0.36 1.43 -1.52 -1.24 -4.94 119.66 109.07 3kl9 s GLN 99 Ca 0.32 -0.14 -0.26 0.00 -1.95 0.00 0.00 55.36 53.33 3kl9 s GLN 99 Cb -0.10 -0.31 -0.09 0.00 -0.22 0.00 0.00 33.01 32.29 3kl9 s GLN 99 CO 0.82 0.08 1.07 1.03 -0.25 0.00 0.00 175.29 178.04 3kl9 s ARG 100 N -0.07 4.30 0.05 2.91 0.52 -1.26 -1.69 118.95 123.70 3kl9 s ARG 100 Ca 0.01 1.62 -0.04 0.00 -0.52 0.00 0.00 55.73 56.79 3kl9 s ARG 100 Cb -0.02 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 3kl9 s ARG 100 CO -0.00 -0.05 0.07 -0.06 0.02 0.00 0.00 175.30 175.28 3kl9 s PHE 101 N -1.49 0.29 -0.32 -0.53 0.08 0.26 -1.72 117.98 114.55 3kl9 s PHE 101 Ca 0.54 -0.68 -0.09 0.00 0.12 0.00 0.00 56.93 56.82 3kl9 s PHE 101 Cb -0.25 -0.20 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 3kl9 s PHE 101 CO 0.32 -0.39 0.14 0.15 -0.10 0.00 0.00 175.22 175.34 3kl9 s LYS 102 N -3.12 3.15 -0.15 0.44 1.02 0.95 -0.81 119.74 121.22 3kl9 s LYS 102 Ca -0.01 -0.84 -0.24 0.00 0.02 0.00 0.00 55.97 54.91 3kl9 s LYS 102 Cb 0.02 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 3kl9 s LYS 102 CO -0.07 -0.48 0.77 -1.17 -0.92 0.00 0.00 175.35 173.49 3kl9 s LEU 103 N 1.56 4.20 -0.30 3.17 0.20 0.31 -0.87 118.68 126.95 3kl9 s LEU 103 Ca 0.03 1.12 -0.10 0.00 0.69 0.00 0.00 54.13 55.87 3kl9 s LEU 103 Cb -0.18 -3.15 -0.03 0.00 -0.43 0.00 0.00 46.19 42.41 3kl9 s LEU 103 CO 0.05 -0.32 0.17 -0.76 -0.29 0.00 0.00 176.35 175.20 3kl9 s LEU 104 N 1.84 4.06 0.50 -0.68 1.02 0.24 -0.54 118.68 125.13 3kl9 s LEU 104 Ca 0.37 -0.28 -0.10 0.00 0.02 0.00 0.00 54.13 54.13 3kl9 s LEU 104 Cb -0.17 -2.06 -0.05 0.00 0.02 0.00 0.00 46.19 43.93 3kl9 s LEU 104 CO 0.13 -0.13 0.88 -0.89 0.02 0.00 0.00 176.35 176.36 3kl9 s THR 105 N 1.69 4.75 0.21 5.49 2.01 -0.69 -3.75 115.64 125.35 3kl9 s THR 105 Ca 0.06 0.70 -0.05 0.00 0.31 0.00 0.00 61.69 62.70 3kl9 s THR 105 Cb -0.16 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.60 3kl9 s THR 105 CO 0.08 -0.79 1.65 -0.09 -0.69 0.00 0.00 174.62 174.78 3kl9 h ARG 106 N 0.54 0.86 0.00 4.92 2.43 -1.90 -2.89 114.38 118.35 3kl9 h ARG 106 Ca -0.46 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.40 3kl9 h ARG 106 Cb 1.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3kl9 h ARG 106 CO 0.62 0.95 0.00 -0.40 -1.51 0.00 0.00 179.97 179.63 3kl9 n ASP 107 N -4.14 0.00 0.00 -3.80 5.68 -1.26 -4.88 116.55 108.14 3kl9 n ASP 107 Ca 0.01 -0.88 0.00 0.00 -0.50 0.00 0.00 54.79 53.42 3kl9 n ASP 107 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.50 0.74 3.77 6.12 0.00 -1.09 -5.09 105.19 110.15 3kl9 n GLY 108 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.05 2.87 -0.39 1.61 3.76 -1.26 -4.87 115.29 114.96 3kl9 s HIS 109 Ca 0.00 1.53 -0.00 0.00 -0.15 0.00 0.00 55.06 56.44 3kl9 s HIS 109 Cb 0.00 -3.40 0.11 0.00 1.11 0.00 0.00 32.58 30.40 3kl9 s HIS 109 CO 0.00 -1.55 0.16 -1.21 -0.85 0.00 0.00 174.74 171.29 3kl9 s GLU 110 N -2.66 1.83 -0.19 1.40 2.02 -1.26 -1.70 118.70 118.14 3kl9 s GLU 110 Ca 0.63 -1.88 -0.07 0.00 0.02 0.00 0.00 54.97 53.67 3kl9 s GLU 110 Cb -0.29 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 3kl9 s GLU 110 CO 0.36 -1.03 0.04 0.96 0.02 0.00 0.00 175.26 175.61 3kl9 s ILE 111 N 0.98 4.52 0.12 -1.63 -5.25 0.30 -4.89 121.20 115.36 3kl9 s ILE 111 Ca 0.10 -0.13 -0.31 0.00 -0.99 0.00 0.00 60.65 59.32 3kl9 s ILE 111 Cb -0.21 -3.04 -0.10 0.00 2.95 0.00 0.00 42.46 42.06 3kl9 s ILE 111 CO -0.05 0.44 1.76 -2.84 -1.79 0.00 0.00 174.94 172.45 3kl9 s PRO 112 N 0.62 4.16 -0.02 0.37 0.02 -1.26 -0.53 135.00 138.35 3kl9 s PRO 112 Ca 0.02 2.51 0.02 0.00 0.02 0.00 0.00 61.00 63.57 3kl9 s PRO 112 Cb -0.13 -3.53 0.01 0.00 0.02 0.00 0.00 34.50 30.86 3kl9 s PRO 112 CO 0.02 -0.79 -0.06 0.08 -0.33 0.00 0.00 177.00 175.91 3kl9 s VAL 113 N 2.50 0.58 0.18 3.83 1.01 0.00 -4.55 120.40 123.96 3kl9 s VAL 113 Ca 0.78 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.63 3kl9 s VAL 113 Cb -0.44 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3kl9 s VAL 113 CO 0.35 0.19 -0.22 0.27 0.00 0.00 0.00 175.10 175.69 3kl9 s ILE 114 N 0.29 2.48 0.24 2.22 -4.36 -0.34 0.93 121.20 122.66 3kl9 s ILE 114 Ca -0.04 -1.94 -0.13 0.00 -0.26 0.00 0.00 60.65 58.28 3kl9 s ILE 114 Cb -0.08 -2.19 -0.08 0.00 1.25 0.00 0.00 42.46 41.36 3kl9 s ILE 114 CO 0.00 -0.09 0.63 -0.94 0.24 0.00 0.00 174.94 174.78 3kl9 s SER 115 N -2.63 6.77 -0.23 4.36 1.04 -0.68 -0.02 113.70 122.30 3kl9 s SER 115 Ca 0.21 1.12 -0.13 0.00 0.48 0.00 0.00 55.95 57.64 3kl9 s SER 115 Cb -0.08 -2.31 -0.17 0.00 0.10 0.00 0.00 66.02 63.56 3kl9 s SER 115 CO 0.10 -0.06 -0.07 0.61 0.98 0.00 0.00 173.24 174.80 3kl9 n GLY 116 N 0.11 -0.56 0.00 7.32 0.00 0.10 -2.84 105.19 109.32 3kl9 n GLY 116 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.04 0.00 -3.67 1.61 -0.04 -1.26 -2.03 135.00 125.57 3kl9 n PRO 132 Ca -0.44 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.66 3kl9 n PRO 132 Cb 0.87 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.26 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 -0.09 3.73 0.32 0.55 0.00 -1.26 -4.92 121.76 120.08 3kl9 s ALA 133 Ca 0.00 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 51.55 3kl9 s ALA 133 Cb 0.00 -2.22 0.86 0.00 0.00 0.00 0.00 23.12 21.76 3kl9 s ALA 133 CO 0.00 0.36 1.74 0.82 0.00 0.00 0.00 175.76 178.68 3kl9 h ILE 134 N 4.23 0.56 0.00 0.00 2.04 -1.96 0.23 117.51 122.61 3kl9 h ILE 134 Ca -0.48 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3kl9 h ILE 134 Cb 1.20 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3kl9 h ILE 134 CO 0.67 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.93 3kl9 h ALA 135 N 1.72 1.00 -0.01 1.87 0.00 -1.95 -2.28 119.26 119.61 3kl9 h ALA 135 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 3kl9 h ALA 135 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kl9 h ALA 135 CO -0.46 0.00 -0.55 -0.25 0.00 0.00 0.00 179.25 177.99 3kl9 n ASP 136 N -2.97 1.21 -4.72 0.00 8.00 0.79 -4.64 116.55 114.23 3kl9 n ASP 136 Ca -0.01 -0.97 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 3kl9 n ASP 136 Cb 0.17 0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.72 4.71 -0.13 0.53 1.01 -0.86 -4.99 121.20 118.75 3kl9 s ILE 137 Ca 0.16 2.03 -0.29 0.00 0.00 0.00 0.00 60.65 62.54 3kl9 s ILE 137 Cb 0.18 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 3kl9 s ILE 137 CO 0.66 0.20 1.05 -0.69 0.00 0.00 0.00 174.94 176.16 3kl9 s VAL 138 N 0.71 4.67 -0.22 2.92 1.01 -1.26 -4.58 120.40 123.64 3kl9 s VAL 138 Ca 0.51 1.96 -0.06 0.00 0.00 0.00 0.00 61.98 64.39 3kl9 s VAL 138 Cb -0.22 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 3kl9 s VAL 138 CO 0.29 -0.04 0.03 -0.36 0.00 0.00 0.00 175.10 175.01 3kl9 s PHE 139 N 2.36 3.05 -0.06 5.22 0.40 -0.50 0.03 117.98 128.49 3kl9 s PHE 139 Ca 0.49 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 56.37 3kl9 s PHE 139 Cb -0.19 -2.16 -0.00 0.00 0.51 0.00 0.00 43.02 41.18 3kl9 s PHE 139 CO 0.16 -0.33 -0.22 0.34 0.70 0.00 0.00 175.22 175.87 3kl9 s ASP 140 N 1.33 2.71 0.00 1.36 3.68 0.97 0.68 116.67 127.41 3kl9 s ASP 140 Ca 0.04 -0.46 0.00 0.00 2.13 0.00 0.00 52.55 54.27 3kl9 s ASP 140 Cb -0.15 -0.90 0.01 0.00 -1.45 0.00 0.00 42.92 40.43 3kl9 s ASP 140 CO 0.02 0.18 0.77 0.61 0.13 0.00 0.00 175.17 176.89 3kl9 n GLY 141 N 3.20 0.91 2.10 2.66 0.00 -1.26 -1.20 105.19 111.60 3kl9 n GLY 141 Ca -0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.25 0.35 3.88 -0.02 0.00 -1.26 -4.94 105.19 102.95 3kl9 n GLY 142 Ca 0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.74 3.47 0.25 1.61 0.40 -1.26 -5.02 117.98 114.68 3kl9 s PHE 143 Ca 0.09 0.28 0.04 0.00 -0.60 0.00 0.00 56.93 56.74 3kl9 s PHE 143 Cb -0.04 -1.78 0.30 0.00 0.51 0.00 0.00 43.02 42.01 3kl9 s PHE 143 CO 0.12 0.61 1.60 0.00 0.70 0.00 0.00 175.22 178.24 3kl9 h ALA 144 N 3.58 0.91 -2.62 5.36 0.00 -1.93 -3.42 119.26 121.14 3kl9 h ALA 144 Ca -0.48 -0.49 0.12 0.00 0.00 0.00 0.00 54.91 54.06 3kl9 h ALA 144 Cb 1.18 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3kl9 h ALA 144 CO 0.70 0.67 0.42 0.16 0.00 0.00 0.00 179.25 181.21 3kl9 s ASP 145 N -6.89 -0.12 0.24 0.00 3.84 -1.25 -4.61 116.67 107.89 3kl9 s ASP 145 Ca -0.05 -0.64 -0.06 0.00 -0.00 0.00 0.00 52.55 51.80 3kl9 s ASP 145 Cb 0.12 0.60 0.45 0.00 -1.38 0.00 0.00 42.92 42.71 3kl9 s ASP 145 CO 0.80 -1.15 1.67 0.50 -0.00 0.00 0.00 175.17 176.99 3kl9 h LYS 146 N 2.00 0.20 -0.47 2.11 3.64 -0.82 -2.02 116.57 121.20 3kl9 h LYS 146 Ca -0.25 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.19 3kl9 h LYS 146 Cb 1.23 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 3kl9 h LYS 146 CO 0.30 0.13 0.09 0.00 -2.27 0.00 0.00 179.45 177.71 3kl9 h ALA 147 N 1.63 0.53 -0.30 5.00 0.00 -1.92 -0.45 119.26 123.75 3kl9 h ALA 147 Ca 0.41 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 3kl9 h ALA 147 Cb 0.71 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3kl9 h ALA 147 CO -0.55 -0.31 0.08 1.49 0.00 0.00 0.00 179.25 179.95 3kl9 h GLU 148 N 0.23 0.48 -0.62 0.00 4.81 -1.79 0.24 114.58 117.92 3kl9 h GLU 148 Ca 0.24 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3kl9 h GLU 148 Cb 0.31 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 3kl9 h GLU 148 CO -0.31 0.55 0.28 0.00 -0.73 0.00 0.00 179.01 178.80 3kl9 h ALA 149 N 0.91 0.83 -0.33 2.92 0.00 -1.13 -2.16 119.26 120.29 3kl9 h ALA 149 Ca 0.09 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3kl9 h ALA 149 Cb 0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kl9 h ALA 149 CO 0.00 -0.12 -0.21 0.93 0.00 0.00 0.00 179.25 179.85 3kl9 h GLU 150 N 0.49 0.63 0.00 0.00 5.08 -0.67 -2.50 114.58 117.61 3kl9 h GLU 150 Ca 0.31 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kl9 h GLU 150 Cb 0.32 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kl9 h GLU 150 CO -0.26 0.80 0.00 -1.13 -1.00 0.00 0.00 179.01 177.42 3kl9 n SER 151 N -4.13 0.04 -1.33 1.42 3.41 0.79 -1.10 113.62 112.73 3kl9 n SER 151 Ca 0.00 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 3kl9 n SER 151 Cb 0.41 -0.52 0.32 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.55 0.96 -0.51 7.33 3.01 -0.95 -4.94 117.46 120.82 3kl9 n PHE 152 Ca 0.02 -0.48 0.00 0.00 1.01 0.00 0.00 57.45 58.00 3kl9 n PHE 152 Cb 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 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 1.64 0.75 3.71 1.37 0.00 -0.26 -4.87 105.19 107.54 3kl9 n GLY 153 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.45 4.77 0.03 -0.61 1.01 -1.18 -4.38 121.20 118.39 3kl9 s ILE 154 Ca 0.00 2.06 -0.01 0.00 0.00 0.00 0.00 60.65 62.70 3kl9 s ILE 154 Cb 0.00 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3kl9 s ILE 154 CO 0.00 0.20 -0.02 -0.13 0.00 0.00 0.00 174.94 174.99 3kl9 s ARG 155 N 0.77 0.38 0.25 2.79 1.81 -1.26 -4.36 118.95 119.33 3kl9 s ARG 155 Ca 0.51 -0.72 -0.30 0.00 -1.72 0.00 0.00 55.73 53.50 3kl9 s ARG 155 Cb -0.22 0.14 -0.14 0.00 -0.45 0.00 0.00 34.95 34.28 3kl9 s ARG 155 CO 0.28 -0.07 1.15 -2.30 -0.68 0.00 0.00 175.30 173.69 3kl9 n PRO 156 N 1.28 1.49 0.00 3.54 -0.02 -1.26 -1.97 135.00 138.06 3kl9 n PRO 156 Ca -0.22 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3kl9 n PRO 156 Cb 0.56 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.59 2.74 3.76 -1.23 0.00 0.43 -5.01 105.19 107.47 3kl9 n GLY 157 Ca 0.11 0.00 -0.41 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 -1.51 6.41 0.23 1.61 1.01 -0.83 -4.65 116.67 118.94 3kl9 s ASP 158 Ca 0.00 2.95 -0.30 0.00 0.71 0.00 0.00 52.55 55.91 3kl9 s ASP 158 Cb 0.00 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 3kl9 s ASP 158 CO 0.00 -0.86 1.02 0.28 0.21 0.00 0.00 175.17 175.83 3kl9 s THR 159 N -0.51 3.87 -0.22 -1.27 -1.32 -1.25 -1.20 115.64 113.73 3kl9 s THR 159 Ca 0.58 1.81 -0.00 0.00 -1.21 0.00 0.00 61.69 62.87 3kl9 s THR 159 Cb -0.46 -4.15 0.06 0.00 -1.51 0.00 0.00 72.50 66.44 3kl9 s THR 159 CO 0.54 0.40 -0.02 -0.63 -2.21 0.00 0.00 174.62 172.70 3kl9 s ILE 160 N -0.93 1.21 -0.13 5.08 1.01 0.83 -0.59 121.20 127.68 3kl9 s ILE 160 Ca 0.44 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 3kl9 s ILE 160 Cb -0.28 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3kl9 s ILE 160 CO 0.35 -0.15 -0.01 -0.69 0.00 0.00 0.00 174.94 174.45 3kl9 s VAL 161 N 1.54 4.19 0.38 2.92 1.01 -0.05 -0.82 120.40 129.57 3kl9 s VAL 161 Ca -0.04 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 3kl9 s VAL 161 Cb -0.18 -2.81 -0.12 0.00 0.00 0.00 0.00 36.38 33.26 3kl9 s VAL 161 CO -0.07 0.54 0.88 -2.65 0.00 0.00 0.00 175.10 173.80 3kl9 n PRO 162 N 2.92 1.11 -3.78 2.72 -0.02 -1.26 -0.03 135.00 136.66 3kl9 n PRO 162 Ca -0.18 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 3kl9 n PRO 162 Cb 0.53 -1.82 -0.11 0.00 -0.02 0.00 0.00 33.50 32.08 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 -0.75 5.21 -0.18 2.55 2.15 -0.70 -4.62 116.67 120.32 3kl9 s ASP 163 Ca 0.62 -2.23 -0.16 0.00 0.43 0.00 0.00 52.55 51.21 3kl9 s ASP 163 Cb -0.62 -1.82 0.05 0.00 -0.30 0.00 0.00 42.92 40.23 3kl9 s ASP 163 CO 0.58 -0.49 0.48 -0.55 -0.17 0.00 0.00 175.17 175.02 3kl9 s SER 164 N 1.50 -0.52 0.22 -0.34 0.15 -1.26 -4.67 113.70 108.78 3kl9 s SER 164 Ca 0.10 0.98 0.05 0.00 0.70 0.00 0.00 55.95 57.79 3kl9 s SER 164 Cb -0.22 0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 65.03 3kl9 s SER 164 CO -0.04 -0.17 0.26 -0.94 1.20 0.00 0.00 173.24 173.54 3kl9 s SER 165 N 0.47 5.90 -0.11 5.45 1.04 -1.26 -4.51 113.70 120.68 3kl9 s SER 165 Ca -0.02 -0.07 -0.23 0.00 0.48 0.00 0.00 55.95 56.12 3kl9 s SER 165 Cb -0.04 -1.63 -0.03 0.00 0.10 0.00 0.00 66.02 64.42 3kl9 s SER 165 CO -0.02 -0.02 0.68 0.00 0.98 0.00 0.00 173.24 174.86 3kl9 s ALA 166 N -1.98 3.41 0.18 5.32 0.00 -1.26 -4.36 121.76 123.08 3kl9 s ALA 166 Ca 0.33 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.32 3kl9 s ALA 166 Cb -0.09 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 3kl9 s ALA 166 CO 0.27 -0.24 0.01 0.96 0.00 0.00 0.00 175.76 176.75 3kl9 s ILE 167 N 1.16 0.68 0.04 0.00 -4.36 0.09 -4.94 121.20 113.87 3kl9 s ILE 167 Ca 0.35 -1.98 -0.18 0.00 -0.26 0.00 0.00 60.65 58.57 3kl9 s ILE 167 Cb -0.17 -2.17 -0.06 0.00 1.25 0.00 0.00 42.46 41.31 3kl9 s ILE 167 CO 0.15 -0.43 0.53 -0.76 0.24 0.00 0.00 174.94 174.67 3kl9 s LEU 168 N -3.19 4.50 0.96 0.37 1.02 -1.26 -1.04 118.68 120.04 3kl9 s LEU 168 Ca 0.25 1.17 -0.12 0.00 0.02 0.00 0.00 54.13 55.45 3kl9 s LEU 168 Cb 0.06 -2.81 0.16 0.00 0.02 0.00 0.00 46.19 43.62 3kl9 s LEU 168 CO 0.05 0.27 1.10 0.42 0.02 0.00 0.00 176.35 178.21 3kl9 s THR 169 N -1.01 2.26 0.25 5.49 -4.23 0.12 -4.88 115.64 113.65 3kl9 s THR 169 Ca 0.28 0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 3kl9 s THR 169 Cb -0.19 -2.61 0.22 0.00 1.34 0.00 0.00 72.50 71.26 3kl9 s THR 169 CO 0.17 -0.11 1.84 0.00 -0.54 0.00 0.00 174.62 175.98 3kl9 h ALA 170 N -1.73 1.21 0.00 3.99 0.00 -1.99 -1.68 119.26 119.06 3kl9 h ALA 170 Ca -0.52 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kl9 h ALA 170 Cb 1.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kl9 h ALA 170 CO 0.57 0.22 0.00 0.27 0.00 0.00 0.00 179.25 180.31 3kl9 n ASN 171 N -4.66 0.00 -0.37 0.00 0.23 -1.26 -4.88 115.26 104.32 3kl9 n ASN 171 Ca 0.13 -0.65 -0.05 0.00 -0.53 0.00 0.00 54.58 53.48 3kl9 n ASN 171 Cb 0.22 -0.11 -0.02 0.00 -2.08 0.00 0.00 39.78 37.80 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 -1.11 -1.22 -0.00 -3.83 1.02 -0.63 -4.82 120.64 110.05 3kl9 n GLU 172 Ca 0.20 0.57 0.11 0.00 -0.02 0.00 0.00 57.16 58.01 3kl9 n GLU 172 Cb 0.15 -4.61 -0.16 0.00 -0.02 0.00 0.00 31.44 26.81 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 -1.09 0.58 -4.31 3.49 4.76 -1.26 -4.95 118.16 115.36 3kl9 n LYS 173 Ca -0.05 -0.16 -0.20 0.00 -2.87 0.00 0.00 58.31 55.03 3kl9 n LYS 173 Cb 0.38 -1.53 -0.11 0.00 -1.84 0.00 0.00 35.03 31.93 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 -4.36 2.48 0.00 4.39 0.01 -1.26 -2.35 114.94 113.84 3kl9 s ASN 174 Ca -0.06 -0.89 0.08 0.00 -0.71 0.00 0.00 52.86 51.28 3kl9 s ASN 174 Cb 0.14 -0.13 -0.02 0.00 0.41 0.00 0.00 41.25 41.65 3kl9 s ASN 174 CO 0.90 -0.10 -0.24 -0.63 -1.51 0.00 0.00 177.10 175.52 3kl9 s ILE 175 N -2.32 2.23 -0.18 0.60 1.01 0.05 -0.70 121.20 121.88 3kl9 s ILE 175 Ca 0.16 -1.16 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 3kl9 s ILE 175 Cb -0.04 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 3kl9 s ILE 175 CO 0.06 0.50 -0.05 -0.63 0.00 0.00 0.00 174.94 174.81 3kl9 s ILE 176 N -0.70 3.50 0.16 2.92 1.01 -0.20 -1.61 121.20 126.28 3kl9 s ILE 176 Ca 0.11 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 3kl9 s ILE 176 Cb -0.10 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.84 3kl9 s ILE 176 CO 0.00 0.46 0.33 -1.54 0.00 0.00 0.00 174.94 174.19 3kl9 n SER 177 N 4.16 -0.94 -5.00 3.58 3.41 0.00 -0.74 113.62 118.10 3kl9 n SER 177 Ca -0.18 -1.65 -0.18 0.00 -0.26 0.00 0.00 58.87 56.60 3kl9 n SER 177 Cb 0.52 1.57 0.02 0.00 -0.26 0.00 0.00 64.21 66.05 3kl9 n SER 177 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3kl9 s LYS 178 N -2.04 2.75 -1.47 4.33 -2.85 -1.24 0.13 119.74 119.36 3kl9 s LYS 178 Ca 0.07 -1.16 0.00 0.00 -1.00 0.00 0.00 55.97 53.88 3kl9 s LYS 178 Cb -0.02 -2.70 0.00 0.00 -2.06 0.00 0.00 37.83 33.05 3kl9 s LYS 178 CO 0.05 -0.38 0.00 0.00 0.10 0.00 0.00 175.35 175.11 3kl9 n ALA 179 N -1.97 -0.21 0.34 0.59 0.00 -1.26 -4.78 120.51 113.22 3kl9 n ALA 179 Ca 0.08 0.22 0.23 0.00 0.00 0.00 0.00 53.44 53.97 3kl9 n ALA 179 Cb 0.59 -1.54 1.22 0.00 0.00 0.00 0.00 19.45 19.72 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 0.00 -3.38 0.00 -0.00 -1.92 0.63 115.95 111.28 3kl9 h TRP 180 Ca -0.28 0.00 -0.73 0.00 -0.00 0.00 0.00 58.89 57.88 3kl9 h TRP 180 Cb 0.98 0.00 -0.23 0.00 -0.00 0.00 0.00 29.16 29.91 3kl9 h TRP 180 CO 0.44 0.00 -0.38 0.34 -0.00 0.00 0.00 178.44 178.84 3kl9 s ASP 181 N -5.17 6.03 -0.35 2.65 2.15 -1.26 -2.48 116.67 118.24 3kl9 s ASP 181 Ca -0.05 -1.25 0.14 0.00 0.43 0.00 0.00 52.55 51.82 3kl9 s ASP 181 Cb 0.13 -2.14 0.45 0.00 -0.30 0.00 0.00 42.92 41.06 3kl9 s ASP 181 CO 0.41 -0.57 1.03 -3.20 -0.17 0.00 0.00 175.17 172.67 3kl9 n ASN 182 N 5.14 2.70 0.04 -0.34 4.05 -1.04 -4.67 115.26 121.13 3kl9 n ASN 182 Ca -0.12 -3.04 0.11 0.00 0.45 0.00 0.00 54.58 51.98 3kl9 n ASN 182 Cb 0.44 -0.49 0.44 0.00 1.23 0.00 0.00 39.78 41.40 3kl9 n ASN 182 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3kl9 n ARG 183 N -0.27 0.08 0.12 1.20 5.12 0.19 -2.31 116.66 120.79 3kl9 n ARG 183 Ca 0.20 0.21 -0.07 0.00 -1.93 0.00 0.00 57.85 56.27 3kl9 n ARG 183 Cb 0.77 -1.62 -0.04 0.00 -1.16 0.00 0.00 32.46 30.42 3kl9 n ARG 183 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 3kl9 h TYR 184 N 0.00 -0.54 -0.74 -1.55 5.03 -1.67 -0.83 116.97 116.67 3kl9 h TYR 184 Ca 0.00 0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.45 3kl9 h TYR 184 Cb 0.41 0.21 -0.05 0.00 1.55 0.00 0.00 36.73 38.84 3kl9 h TYR 184 CO 0.00 -0.27 0.49 0.78 -1.32 0.00 0.00 178.16 177.85 3kl9 h GLY 185 N -0.41 0.74 0.85 1.82 0.00 -1.67 0.48 103.07 104.88 3kl9 h GLY 185 Ca -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3kl9 h GLY 185 CO -0.01 0.08 0.03 -2.08 0.00 0.00 0.00 176.54 174.55 3kl9 h VAL 186 N 0.45 1.23 -0.43 4.60 2.07 -1.41 -0.05 116.25 122.72 3kl9 h VAL 186 Ca 0.36 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.94 3kl9 h VAL 186 Cb 0.77 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3kl9 h VAL 186 CO -0.12 0.25 -0.32 0.25 0.02 0.00 0.00 177.57 177.66 3kl9 h LEU 187 N 0.19 1.02 -0.84 2.57 6.46 0.01 -2.19 115.31 122.54 3kl9 h LEU 187 Ca 0.07 -0.44 0.09 0.00 -0.12 0.00 0.00 57.88 57.49 3kl9 h LEU 187 Cb 0.34 -0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 39.92 3kl9 h LEU 187 CO 0.01 1.24 0.49 -0.03 -0.62 0.00 0.00 178.44 179.53 3kl9 h MET 188 N 0.81 0.81 -0.02 1.25 4.05 0.04 0.56 114.93 122.43 3kl9 h MET 188 Ca 0.08 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.32 3kl9 h MET 188 Cb 0.91 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 3kl9 h MET 188 CO 0.08 0.53 -0.61 0.28 0.23 0.00 0.00 176.91 177.43 3kl9 h VAL 189 N 0.83 1.42 -0.00 -5.77 2.07 -0.81 -2.41 116.25 111.58 3kl9 h VAL 189 Ca 0.40 -2.06 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 3kl9 h VAL 189 Cb 0.34 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3kl9 h VAL 189 CO -0.24 0.60 -0.00 -1.28 0.02 0.00 0.00 177.57 176.67 3kl9 h SER 190 N 0.06 0.00 0.17 0.57 0.87 -0.62 -2.85 113.55 111.75 3kl9 h SER 190 Ca -0.01 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.04 3kl9 h SER 190 Cb 1.09 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 3kl9 h SER 190 CO 0.08 0.49 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.46 3kl9 h GLU 191 N -0.49 0.00 0.11 2.24 4.39 -0.95 -2.72 114.58 117.15 3kl9 h GLU 191 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3kl9 h GLU 191 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3kl9 h GLU 191 CO 0.00 0.08 -0.05 1.25 -1.16 0.00 0.00 179.01 179.13 3kl9 h LEU 192 N 0.00 -0.12 -0.70 1.33 6.46 -1.39 -2.10 115.31 118.79 3kl9 h LEU 192 Ca -0.00 -0.38 0.14 0.00 -0.12 0.00 0.00 57.88 57.52 3kl9 h LEU 192 Cb 0.19 0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 40.06 3kl9 h LEU 192 CO 0.01 0.34 0.20 0.00 -0.62 0.00 0.00 178.44 178.37 3kl9 h ALA 193 N 0.18 0.91 0.02 1.25 0.00 -1.33 -0.88 119.26 119.42 3kl9 h ALA 193 Ca -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kl9 h ALA 193 Cb 0.49 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3kl9 h ALA 193 CO 0.02 -0.29 -0.01 1.49 0.00 0.00 0.00 179.25 180.47 3kl9 h GLU 194 N 0.32 -0.03 -0.01 0.00 4.81 -1.51 -2.43 114.58 115.73 3kl9 h GLU 194 Ca 0.38 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.57 3kl9 h GLU 194 Cb 0.61 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3kl9 h GLU 194 CO -0.44 0.13 -0.19 0.00 -0.73 0.00 0.00 179.01 177.78 3kl9 h ALA 195 N 0.80 1.67 -0.29 2.92 0.00 -0.84 -1.61 119.26 121.90 3kl9 h ALA 195 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kl9 h ALA 195 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kl9 h ALA 195 CO 0.00 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.79 3kl9 n LEU 196 N -4.30 2.51 0.09 0.00 4.32 -0.38 -4.65 117.00 114.60 3kl9 n LEU 196 Ca -0.02 -1.08 -0.13 0.00 -0.02 0.00 0.00 56.01 54.75 3kl9 n LEU 196 Cb 0.26 -0.18 -0.08 0.00 -1.62 0.00 0.00 43.42 41.80 3kl9 n LEU 196 CO 0.37 0.54 0.51 -1.28 -1.22 0.00 0.00 177.39 176.31 3kl9 h SER 197 N 3.24 -1.23 -0.47 -1.43 0.87 -0.78 -2.64 113.55 111.11 3kl9 h SER 197 Ca 0.00 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3kl9 h SER 197 Cb 0.72 0.45 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 3kl9 h SER 197 CO 0.00 -0.44 0.22 1.23 -0.53 0.00 0.00 176.83 177.31 3kl9 h GLY 198 N -0.59 0.73 -2.00 5.77 0.00 -1.82 -3.47 103.07 101.68 3kl9 h GLY 198 Ca -0.01 -0.37 -0.55 0.00 0.00 0.00 0.00 47.33 46.41 3kl9 h GLY 198 CO -0.22 0.35 -0.00 -1.06 0.00 0.00 0.00 176.54 175.61 3kl9 n GLN 199 N -4.62 0.22 -5.03 4.80 1.13 -1.00 -5.05 117.38 107.83 3kl9 n GLN 199 Ca 0.01 0.13 -0.29 0.00 -1.94 0.00 0.00 57.00 54.92 3kl9 n GLN 199 Cb 0.12 -2.18 -0.16 0.00 0.11 0.00 0.00 30.24 28.13 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 -3.58 2.27 0.22 -1.09 -2.85 -1.26 -5.02 119.74 108.43 3kl9 s LYS 200 Ca 0.69 -0.74 0.09 0.00 -1.00 0.00 0.00 55.97 55.02 3kl9 s LYS 200 Cb -0.31 -1.88 -0.04 0.00 -2.06 0.00 0.00 37.83 33.54 3kl9 s LYS 200 CO 0.55 0.25 -0.07 -0.51 0.10 0.00 0.00 175.35 175.67 3kl9 s LEU 201 N 0.09 3.03 0.00 2.77 1.43 -1.26 -5.01 118.68 119.72 3kl9 s LEU 201 Ca -0.08 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 3kl9 s LEU 201 Cb -0.14 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.44 3kl9 s LEU 201 CO 0.04 0.06 0.91 0.61 0.23 0.00 0.00 176.35 178.20 3kl9 n GLY 202 N -0.36 -0.55 3.15 -3.19 0.00 -1.26 -4.52 105.19 98.46 3kl9 n GLY 202 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.83 1.43 -0.96 1.61 2.20 -1.23 -4.13 114.94 113.02 3kl9 s ASN 203 Ca 0.00 -0.67 -0.23 0.00 -0.94 0.00 0.00 52.86 51.02 3kl9 s ASN 203 Cb 0.00 -0.01 0.06 0.00 -2.00 0.00 0.00 41.25 39.30 3kl9 s ASN 203 CO 0.00 -0.17 1.36 -0.70 -2.94 0.00 0.00 177.10 174.65 3kl9 s GLU 204 N -2.06 3.54 -0.03 3.55 2.56 0.48 -4.36 118.70 122.37 3kl9 s GLU 204 Ca -0.01 -1.13 -0.30 0.00 0.00 0.00 0.00 54.97 53.53 3kl9 s GLU 204 Cb -0.08 -5.12 -0.04 0.00 2.00 0.00 0.00 34.13 30.89 3kl9 s GLU 204 CO 0.01 -2.11 1.20 -1.17 -0.56 0.00 0.00 175.26 172.63 3kl9 s LEU 205 N 4.63 4.30 -0.22 2.70 2.96 -0.93 -2.27 118.68 129.84 3kl9 s LEU 205 Ca 0.42 1.86 -0.05 0.00 -0.22 0.00 0.00 54.13 56.14 3kl9 s LEU 205 Cb -0.02 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 3kl9 s LEU 205 CO -0.07 -0.56 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.08 3kl9 s TYR 206 N 2.01 3.00 -0.12 5.38 1.51 0.46 -0.45 117.35 129.13 3kl9 s TYR 206 Ca 0.57 -0.69 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 3kl9 s TYR 206 Cb -0.26 -2.12 0.03 0.00 -0.11 0.00 0.00 41.96 39.51 3kl9 s TYR 206 CO 0.23 -0.41 -0.04 -1.17 -1.11 0.00 0.00 175.55 173.05 3kl9 s LEU 207 N 1.33 1.15 0.00 -1.29 0.20 0.42 -0.63 118.68 119.87 3kl9 s LEU 207 Ca 0.04 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.48 3kl9 s LEU 207 Cb -0.15 -0.75 0.00 0.00 -0.43 0.00 0.00 46.19 44.87 3kl9 s LEU 207 CO -0.00 -0.17 0.00 0.61 -0.29 0.00 0.00 176.35 176.50 3kl9 n GLY 208 N 4.98 -0.79 3.20 7.98 0.00 -0.07 0.37 105.19 120.87 3kl9 n GLY 208 Ca -0.11 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.00 -0.37 0.73 1.61 0.15 -0.88 -1.73 113.70 109.20 3kl9 s SER 209 Ca 0.00 0.70 -0.10 0.00 0.70 0.00 0.00 55.95 57.25 3kl9 s SER 209 Cb 0.00 0.65 0.05 0.00 -1.71 0.00 0.00 66.02 65.01 3kl9 s SER 209 CO 0.00 -0.15 1.08 0.20 1.20 0.00 0.00 173.24 175.57 3kl9 s ASN 210 N 0.71 4.92 0.16 5.45 0.01 0.23 -2.89 114.94 123.53 3kl9 s ASN 210 Ca -0.04 0.75 0.06 0.00 -0.71 0.00 0.00 52.86 52.92 3kl9 s ASN 210 Cb -0.06 -1.41 -0.04 0.00 0.41 0.00 0.00 41.25 40.15 3kl9 s ASN 210 CO -0.05 -1.60 0.08 0.54 -1.51 0.00 0.00 177.10 174.56 3kl9 s VAL 211 N -3.37 4.20 -1.51 1.60 0.11 -1.26 -0.80 120.40 119.37 3kl9 s VAL 211 Ca 0.60 -1.16 -0.13 0.00 -2.93 0.00 0.00 61.98 58.35 3kl9 s VAL 211 Cb -0.11 -3.11 0.08 0.00 -1.53 0.00 0.00 36.38 31.71 3kl9 s VAL 211 CO 0.48 -0.07 0.91 0.00 -3.33 0.00 0.00 175.10 173.08 3kl9 n GLN 212 N -0.14 -5.30 -0.00 1.54 6.02 -1.26 -2.14 117.38 116.09 3kl9 n GLN 212 Ca -0.09 0.61 -0.11 0.00 -0.01 0.00 0.00 57.00 57.40 3kl9 n GLN 212 Cb 0.54 -5.49 0.03 0.00 1.02 0.00 0.00 30.24 26.35 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 -1.93 0.59 0.00 -1.09 4.22 -1.91 -2.26 114.58 112.21 3kl9 h GLU 213 Ca -0.56 -0.39 -0.01 0.00 0.08 0.00 0.00 59.36 58.48 3kl9 h GLU 213 Cb 1.37 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 3kl9 h GLU 213 CO 0.65 1.01 -0.03 0.93 -2.18 0.00 0.00 179.01 179.38 3kl9 h GLU 214 N 0.44 0.00 -0.52 1.92 4.39 -1.89 -0.89 114.58 118.03 3kl9 h GLU 214 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kl9 h GLU 214 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3kl9 h GLU 214 CO 0.11 0.03 0.00 1.33 -1.16 0.00 0.00 179.01 179.32 3kl9 n VAL 215 N -3.25 1.98 0.00 3.13 0.24 -1.24 -4.17 118.33 115.02 3kl9 n VAL 215 Ca -0.02 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 3kl9 n VAL 215 Cb 0.19 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 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 0.62 1.13 3.46 7.63 0.00 -1.03 -4.79 105.19 112.19 3kl9 n GLY 216 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.60 0.10 0.99 4.77 -0.37 -4.91 117.00 114.98 3kl9 n LEU 217 Ca 0.00 -0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 55.35 3kl9 n LEU 217 Cb 0.00 -2.72 -0.08 0.00 -2.33 0.00 0.00 43.42 38.28 3kl9 n LEU 217 CO 0.00 0.38 0.70 0.03 -1.33 0.00 0.00 177.39 177.17 3kl9 h ARG 218 N -1.80 -0.21 0.00 3.23 3.08 -1.63 -2.77 114.38 114.28 3kl9 h ARG 218 Ca -0.53 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.50 3kl9 h ARG 218 Cb 1.36 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 3kl9 h ARG 218 CO 0.59 0.02 -0.12 0.78 -1.07 0.00 0.00 179.97 180.17 3kl9 h GLY 219 N -0.42 0.00 2.00 0.04 0.00 -1.58 -2.69 103.07 100.42 3kl9 h GLY 219 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 3kl9 h GLY 219 CO 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.42 3kl9 h ALA 220 N 1.88 1.37 -0.04 3.60 0.00 -1.68 -0.88 119.26 123.50 3kl9 h ALA 220 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kl9 h ALA 220 Cb 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kl9 h ALA 220 CO 0.02 0.19 -0.01 0.45 0.00 0.00 0.00 179.25 179.90 3kl9 h HIS 221 N 0.00 0.09 0.03 0.00 -0.00 -1.51 -3.14 115.15 110.62 3kl9 h HIS 221 Ca -0.00 -0.02 -0.21 0.00 -0.00 0.00 0.00 60.37 60.14 3kl9 h HIS 221 Cb 0.36 -0.02 0.02 0.00 -0.00 0.00 0.00 27.41 27.77 3kl9 h HIS 221 CO 0.00 0.42 -0.84 1.79 -0.00 0.00 0.00 177.93 179.29 3kl9 h THR 222 N -0.26 1.37 -0.63 2.45 1.35 -1.48 -1.95 112.91 113.75 3kl9 h THR 222 Ca 0.01 -2.22 -0.09 0.00 -0.55 0.00 0.00 66.41 63.56 3kl9 h THR 222 Cb 0.39 2.60 -0.02 0.00 -1.73 0.00 0.00 68.15 69.38 3kl9 h THR 222 CO 0.00 0.66 0.03 0.77 -0.25 0.00 0.00 175.52 176.73 3kl9 h SER 223 N 0.08 1.07 -0.15 5.36 4.64 -1.34 -1.26 113.55 121.94 3kl9 h SER 223 Ca -0.11 -0.29 -0.16 0.00 -0.47 0.00 0.00 61.79 60.75 3kl9 h SER 223 Cb 1.54 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3kl9 h SER 223 CO 0.16 1.10 -0.47 0.74 -0.87 0.00 0.00 176.83 177.49 3kl9 h THR 224 N 1.00 1.29 -0.42 2.95 2.02 -1.54 -1.86 112.91 116.35 3kl9 h THR 224 Ca 0.18 -1.67 -0.11 0.00 0.77 0.00 0.00 66.41 65.59 3kl9 h THR 224 Cb 0.54 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 3kl9 h THR 224 CO 0.03 0.53 -0.17 0.74 0.37 0.00 0.00 175.52 177.02 3kl9 h THR 225 N 0.57 1.27 -0.32 3.16 2.02 -1.28 -2.72 112.91 115.61 3kl9 h THR 225 Ca 0.03 -1.27 -0.17 0.00 0.77 0.00 0.00 66.41 65.77 3kl9 h THR 225 Cb 1.03 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3kl9 h THR 225 CO 0.10 0.43 -0.46 0.50 0.37 0.00 0.00 175.52 176.45 3kl9 h LYS 226 N 0.71 0.87 -0.25 6.66 3.64 -1.02 -3.33 116.57 123.87 3kl9 h LYS 226 Ca 0.11 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3kl9 h LYS 226 Cb 0.68 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3kl9 h LYS 226 CO 0.05 1.16 0.00 1.19 -2.27 0.00 0.00 179.45 179.58 3kl9 n PHE 227 N -4.06 0.31 -4.01 1.91 0.99 -0.72 -5.00 117.46 106.88 3kl9 n PHE 227 Ca -0.04 -0.16 -0.36 0.00 -0.00 0.00 0.00 57.45 56.89 3kl9 n PHE 227 Cb 0.58 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.06 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 1.37 -2.63 -4.87 4.37 4.64 -1.03 -4.91 116.55 113.49 3kl9 n ASP 228 Ca 0.17 -1.04 -0.31 0.00 -1.38 0.00 0.00 54.79 52.23 3kl9 n ASP 228 Cb 0.58 -1.25 -0.01 0.00 -1.04 0.00 0.00 41.12 39.40 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 -6.92 3.71 0.10 -0.67 0.04 -1.26 -4.84 135.00 125.15 3kl9 s PRO 229 Ca 0.34 0.72 0.21 0.00 0.04 0.00 0.00 61.00 62.30 3kl9 s PRO 229 Cb -0.19 -2.16 -0.12 0.00 0.04 0.00 0.00 34.50 32.07 3kl9 s PRO 229 CO 0.78 -0.39 0.82 0.39 0.04 0.00 0.00 177.00 178.63 3kl9 n GLU 230 N -2.22 0.63 -3.84 4.56 1.02 0.32 -4.81 120.64 116.30 3kl9 n GLU 230 Ca 0.05 0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 3kl9 n GLU 230 Cb 0.54 -1.74 -0.13 0.00 -0.02 0.00 0.00 31.44 30.10 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 -3.27 0.00 -0.06 2.62 1.01 -1.18 -3.94 120.40 115.59 3kl9 s VAL 231 Ca -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3kl9 s VAL 231 Cb 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.33 3kl9 s VAL 231 CO 0.83 -0.02 -0.14 0.12 0.00 0.00 0.00 175.10 175.88 3kl9 s PHE 232 N -0.01 1.59 -0.36 5.22 2.19 0.11 -1.61 117.98 125.12 3kl9 s PHE 232 Ca -0.01 -0.56 0.04 0.00 0.33 0.00 0.00 56.93 56.73 3kl9 s PHE 232 Cb -0.01 -1.13 0.10 0.00 -1.31 0.00 0.00 43.02 40.67 3kl9 s PHE 232 CO 0.00 -0.26 0.07 -0.51 1.83 0.00 0.00 175.22 176.35 3kl9 s LEU 233 N 0.49 4.56 0.49 6.12 1.02 0.76 -2.24 118.68 129.88 3kl9 s LEU 233 Ca -0.12 -2.21 -0.22 0.00 0.02 0.00 0.00 54.13 51.60 3kl9 s LEU 233 Cb -0.15 -1.58 -0.07 0.00 0.02 0.00 0.00 46.19 44.41 3kl9 s LEU 233 CO 0.04 -0.37 1.16 0.00 0.02 0.00 0.00 176.35 177.20 3kl9 s ALA 234 N 0.83 2.88 -0.34 4.21 0.00 -0.06 -1.62 121.76 127.66 3kl9 s ALA 234 Ca 0.12 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.98 3kl9 s ALA 234 Cb -0.20 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 19.65 3kl9 s ALA 234 CO -0.08 -0.70 0.11 0.08 0.00 0.00 0.00 175.76 175.16 3kl9 s VAL 235 N -1.62 1.23 0.05 0.00 1.01 -0.49 0.01 120.40 120.60 3kl9 s VAL 235 Ca 0.67 -1.77 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 3kl9 s VAL 235 Cb -0.27 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3kl9 s VAL 235 CO 0.32 -0.70 0.02 -0.62 0.00 0.00 0.00 175.10 174.13 3kl9 s ASP 236 N 1.28 0.38 0.16 3.32 3.68 -1.22 -4.20 116.67 120.06 3kl9 s ASP 236 Ca 0.11 -0.87 0.05 0.00 2.13 0.00 0.00 52.55 53.97 3kl9 s ASP 236 Cb -0.19 0.22 -0.04 0.00 -1.45 0.00 0.00 42.92 41.47 3kl9 s ASP 236 CO -0.18 -0.60 0.13 0.00 0.13 0.00 0.00 175.17 174.65 3kl9 s SER 238 N -3.03 2.25 0.42 0.00 0.01 -0.50 -4.91 113.70 107.95 3kl9 s SER 238 Ca 0.31 -1.10 -0.25 0.00 1.31 0.00 0.00 55.95 56.22 3kl9 s SER 238 Cb -0.10 -0.08 -0.10 0.00 0.21 0.00 0.00 66.02 65.95 3kl9 s SER 238 CO 0.23 -0.32 1.23 -2.65 0.41 0.00 0.00 173.24 172.13 3kl9 n PRO 239 N -0.39 1.81 -3.74 12.44 -0.02 -1.26 -1.44 135.00 142.40 3kl9 n PRO 239 Ca -0.07 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 3kl9 n PRO 239 Cb 0.62 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 3kl9 n PRO 239 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kl9 s ALA 240 N -1.21 3.71 -2.38 3.55 0.00 0.17 -4.58 121.76 121.02 3kl9 s ALA 240 Ca 0.62 -0.68 0.19 0.00 0.00 0.00 0.00 51.96 52.09 3kl9 s ALA 240 Cb -0.52 -2.15 0.18 0.00 0.00 0.00 0.00 23.12 20.63 3kl9 s ALA 240 CO 0.57 0.21 1.14 0.41 0.00 0.00 0.00 175.76 178.09 3kl9 n GLY 241 N 3.33 0.66 0.37 0.00 0.00 -0.90 -4.67 105.19 103.98 3kl9 n GLY 241 Ca -0.16 -0.57 0.17 0.00 0.00 0.00 0.00 46.02 45.47 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 3.80 0.64 1.64 1.61 3.04 -1.25 0.19 116.42 126.10 3kl9 h ASP 242 Ca 0.00 0.11 -0.06 0.00 -3.24 0.00 0.00 57.03 53.83 3kl9 h ASP 242 Cb 0.82 -0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.10 3kl9 h ASP 242 CO 0.00 0.16 -0.36 1.62 -2.04 0.00 0.00 179.24 178.62 3kl9 h VAL 243 N 0.59 0.47 -0.66 4.15 3.04 -1.86 -3.02 116.25 118.95 3kl9 h VAL 243 Ca 0.60 -1.67 0.00 0.00 -1.01 0.00 0.00 66.70 64.62 3kl9 h VAL 243 Cb 1.18 2.20 0.00 0.00 -2.01 0.00 0.00 31.29 32.66 3kl9 h VAL 243 CO -0.38 0.27 0.00 -1.22 -1.01 0.00 0.00 177.57 175.22 3kl9 n TYR 244 N -3.14 1.13 0.00 3.17 0.53 0.48 -4.95 117.16 114.38 3kl9 n TYR 244 Ca 0.02 -0.55 0.00 0.00 -1.02 0.00 0.00 57.90 56.35 3kl9 n TYR 244 Cb 0.65 -0.10 0.00 0.00 -1.03 0.00 0.00 39.34 38.86 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 1.32 2.68 2.99 2.72 0.00 -0.38 -5.03 105.19 109.50 3kl9 n GLY 245 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 3kl9 n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl9 n GLY 246 N -2.00 -2.37 3.91 -0.02 0.00 -0.09 -4.91 105.19 99.71 3kl9 n GLY 246 Ca 0.00 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 3kl9 n GLY 246 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kl9 s GLN 247 N -5.16 3.59 0.00 1.61 -2.07 -1.26 -3.28 119.66 113.09 3kl9 s GLN 247 Ca 0.60 -0.05 0.00 0.00 -1.82 0.00 0.00 55.36 54.09 3kl9 s GLN 247 Cb -0.05 -2.62 0.00 0.00 -1.09 0.00 0.00 33.01 29.25 3kl9 s GLN 247 CO 0.45 0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.99 3kl9 n GLY 248 N -1.26 0.80 3.13 2.60 0.00 -1.26 -2.30 105.19 106.89 3kl9 n GLY 248 Ca -0.02 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.56 2.38 -0.26 1.61 2.20 -1.26 -1.50 119.74 122.35 3kl9 s LYS 249 Ca 0.00 -1.27 -0.43 0.00 -0.36 0.00 0.00 55.97 53.91 3kl9 s LYS 249 Cb 0.00 -3.02 -0.19 0.00 -1.51 0.00 0.00 37.83 33.11 3kl9 s LYS 249 CO 0.00 -0.57 1.47 -0.89 -0.36 0.00 0.00 175.35 174.99 3kl9 n ILE 250 N 4.54 0.07 -0.28 5.43 -0.00 -1.26 -1.56 119.36 126.29 3kl9 n ILE 250 Ca -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 3kl9 n ILE 250 Cb 0.43 -0.57 0.00 0.00 -0.00 0.00 0.00 39.64 39.50 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 3.24 0.72 1.62 7.39 0.00 -1.26 -4.93 105.19 111.97 3kl9 n GLY 251 Ca 0.26 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.34 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 4.81 0.00 1.61 9.92 -0.60 -4.90 116.55 127.38 3kl9 n ASP 252 Ca 0.00 -2.68 0.00 0.00 -0.53 0.00 0.00 54.79 51.58 3kl9 n ASP 252 Cb 0.00 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 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 0.67 -1.89 3.79 0.44 0.00 -1.26 -3.51 105.19 103.43 3kl9 n GLY 253 Ca 0.23 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 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 3.65 -0.14 2.61 -1.32 -0.90 -4.60 115.64 114.95 3kl9 s THR 254 Ca 0.00 0.58 -0.15 0.00 -1.21 0.00 0.00 61.69 60.91 3kl9 s THR 254 Cb 0.00 -3.17 -0.05 0.00 -1.51 0.00 0.00 72.50 67.77 3kl9 s THR 254 CO 0.00 -0.66 0.35 -0.76 -2.21 0.00 0.00 174.62 171.34 3kl9 s LEU 255 N -5.54 4.27 -0.73 9.08 1.43 0.73 -1.77 118.68 126.15 3kl9 s LEU 255 Ca 0.61 0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 54.15 3kl9 s LEU 255 Cb -0.16 -2.47 0.13 0.00 0.03 0.00 0.00 46.19 43.72 3kl9 s LEU 255 CO 0.53 0.09 0.83 -0.63 0.23 0.00 0.00 176.35 177.40 3kl9 s ILE 256 N 0.37 4.96 -0.83 -0.59 -1.09 -0.56 -4.23 121.20 119.22 3kl9 s ILE 256 Ca 0.20 -1.45 -0.22 0.00 -2.23 0.00 0.00 60.65 56.95 3kl9 s ILE 256 Cb -0.14 -4.56 0.08 0.00 -1.58 0.00 0.00 42.46 36.26 3kl9 s ILE 256 CO 0.06 -1.21 1.16 -0.60 -1.23 0.00 0.00 174.94 173.12 3kl9 s ARG 257 N 2.17 3.38 0.29 2.79 3.52 -1.26 -1.78 118.95 128.06 3kl9 s ARG 257 Ca 0.18 -1.13 0.20 0.00 -0.13 0.00 0.00 55.73 54.86 3kl9 s ARG 257 Cb -0.16 -4.68 0.13 0.00 -1.56 0.00 0.00 34.95 28.67 3kl9 s ARG 257 CO -0.01 -1.93 1.32 0.27 -0.81 0.00 0.00 175.30 174.15 3kl9 h PHE 258 N 9.43 0.00 -2.81 5.12 -5.15 -1.94 -3.41 116.94 118.18 3kl9 h PHE 258 Ca -0.04 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.61 3kl9 h PHE 258 Cb 1.04 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 36.98 3kl9 h PHE 258 CO 1.12 0.19 -0.24 -0.47 -2.00 0.00 0.00 178.31 176.91 3kl9 s TYR 259 N -3.15 -0.38 0.25 6.09 6.14 -1.26 -2.18 117.35 122.85 3kl9 s TYR 259 Ca 0.03 0.87 -0.14 0.00 0.64 0.00 0.00 57.07 58.47 3kl9 s TYR 259 Cb 0.07 0.15 -0.00 0.00 0.42 0.00 0.00 41.96 42.60 3kl9 s TYR 259 CO 0.74 -0.27 0.50 0.16 0.64 0.00 0.00 175.55 177.32 3kl9 s ASP 260 N -0.22 -0.12 0.66 4.32 1.47 -0.83 -0.11 116.67 121.84 3kl9 s ASP 260 Ca -0.04 -0.87 0.40 0.00 1.18 0.00 0.00 52.55 53.22 3kl9 s ASP 260 Cb -0.03 0.60 2.18 0.00 -0.34 0.00 0.00 42.92 45.33 3kl9 s ASP 260 CO 0.02 -1.15 2.26 -0.65 0.68 0.00 0.00 175.17 176.32 3kl9 h PRO 261 N 2.23 0.00 0.00 2.11 0.11 -1.81 -2.81 132.00 131.83 3kl9 h PRO 261 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 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 0.34 0.00 -1.03 0.41 -0.21 0.00 0.00 178.00 177.51 3kl9 n GLY 262 N -1.15 -0.72 3.64 -0.55 0.00 -1.26 -5.01 105.19 100.13 3kl9 n GLY 262 Ca -0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.80 -0.97 -0.19 1.61 5.65 -1.06 -4.55 115.29 112.97 3kl9 s HIS 263 Ca 0.04 2.05 -0.06 0.00 0.25 0.00 0.00 55.06 57.35 3kl9 s HIS 263 Cb 0.13 0.52 -0.03 0.00 -1.18 0.00 0.00 32.58 32.02 3kl9 s HIS 263 CO 0.74 -0.48 0.02 -0.51 -0.65 0.00 0.00 174.74 173.86 3kl9 s LEU 264 N 1.25 3.44 -0.32 8.88 1.43 -1.26 -1.96 118.68 130.13 3kl9 s LEU 264 Ca -0.07 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 3kl9 s LEU 264 Cb -0.05 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3kl9 s LEU 264 CO -0.14 0.11 1.68 -0.22 0.23 0.00 0.00 176.35 178.01 3kl9 s LEU 265 N 0.73 3.60 0.45 1.79 2.96 -0.93 -4.96 118.68 122.33 3kl9 s LEU 265 Ca 0.01 1.28 -0.23 0.00 -0.22 0.00 0.00 54.13 54.97 3kl9 s LEU 265 Cb -0.14 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 3kl9 s LEU 265 CO 0.02 -1.55 1.11 -0.76 -1.32 0.00 0.00 176.35 173.85 3kl9 s LEU 266 N 6.20 4.01 0.22 -0.68 1.43 -1.26 -4.81 118.68 123.78 3kl9 s LEU 266 Ca 0.74 2.16 -0.08 0.00 -1.03 0.00 0.00 54.13 55.92 3kl9 s LEU 266 Cb -0.21 -4.29 0.31 0.00 0.03 0.00 0.00 46.19 42.03 3kl9 s LEU 266 CO 0.33 -0.80 1.75 -0.65 0.23 0.00 0.00 176.35 177.21 3kl9 h PRO 267 N 2.05 0.44 -0.38 1.29 0.11 -1.94 -0.30 132.00 133.27 3kl9 h PRO 267 Ca -0.49 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.67 3kl9 h PRO 267 Cb 1.24 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 3kl9 h PRO 267 CO 0.60 0.29 -0.20 0.78 -0.21 0.00 0.00 178.00 179.26 3kl9 h GLY 268 N 0.45 0.06 1.05 -0.55 0.00 -1.89 -0.50 103.07 101.69 3kl9 h GLY 268 Ca 0.33 0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.85 3kl9 h GLY 268 CO -0.31 -0.19 0.16 1.98 0.00 0.00 0.00 176.54 178.17 3kl9 h MET 269 N -0.14 1.09 -0.19 4.80 -1.53 -1.47 -2.53 114.93 114.97 3kl9 h MET 269 Ca 0.19 -0.27 0.02 0.00 -3.44 0.00 0.00 59.70 56.20 3kl9 h MET 269 Cb 0.43 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.31 3kl9 h MET 269 CO -0.46 0.97 0.05 -0.22 0.14 0.00 0.00 176.91 177.39 3kl9 h LYS 270 N 1.02 0.13 -0.73 0.39 3.64 -0.62 0.23 116.57 120.64 3kl9 h LYS 270 Ca 0.21 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 3kl9 h LYS 270 Cb 0.38 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 3kl9 h LYS 270 CO 0.00 0.09 0.42 -0.44 -2.27 0.00 0.00 179.45 177.25 3kl9 h ASP 271 N 0.13 0.64 -0.50 4.20 3.32 -0.99 0.26 116.42 123.49 3kl9 h ASP 271 Ca 0.08 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 3kl9 h ASP 271 Cb 0.06 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3kl9 h ASP 271 CO -0.10 0.41 -0.19 0.15 -1.72 0.00 0.00 179.24 177.80 3kl9 h PHE 272 N 0.77 1.15 0.50 4.55 3.57 -1.00 -0.19 116.94 126.30 3kl9 h PHE 272 Ca 0.32 -0.27 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3kl9 h PHE 272 Cb 0.18 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.65 3kl9 h PHE 272 CO -0.06 1.10 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.81 3kl9 h LEU 273 N 0.88 -0.57 -0.08 0.59 3.38 0.02 -2.52 115.31 117.00 3kl9 h LEU 273 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kl9 h LEU 273 Cb 0.77 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3kl9 h LEU 273 CO 0.06 -0.36 0.04 -0.07 0.09 0.00 0.00 178.44 178.21 3kl9 h LEU 274 N -0.75 0.10 -0.16 1.67 3.38 -0.45 -2.05 115.31 117.05 3kl9 h LEU 274 Ca -0.07 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3kl9 h LEU 274 Cb 0.55 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3kl9 h LEU 274 CO 0.11 0.16 -0.18 0.74 0.09 0.00 0.00 178.44 179.36 3kl9 h THR 275 N 0.04 0.53 -0.43 0.22 2.02 -1.12 -2.34 112.91 111.82 3kl9 h THR 275 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.24 3kl9 h THR 275 Cb 0.08 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 3kl9 h THR 275 CO -0.00 0.00 0.22 0.74 0.37 0.00 0.00 175.52 176.85 3kl9 h THR 276 N -0.20 0.98 -0.83 3.16 2.02 -1.33 -1.90 112.91 114.81 3kl9 h THR 276 Ca 0.11 -0.15 0.09 0.00 0.77 0.00 0.00 66.41 67.22 3kl9 h THR 276 Cb 0.37 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 3kl9 h THR 276 CO -0.29 0.08 0.48 0.00 0.37 0.00 0.00 175.52 176.17 3kl9 h ALA 277 N 1.22 1.17 -0.08 6.16 0.00 -1.11 0.09 119.26 126.71 3kl9 h ALA 277 Ca 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3kl9 h ALA 277 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kl9 h ALA 277 CO -0.12 0.13 -0.04 1.49 0.00 0.00 0.00 179.25 180.71 3kl9 h GLU 278 N 0.83 0.17 -0.53 0.00 4.57 -1.13 0.39 114.58 118.87 3kl9 h GLU 278 Ca 0.39 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.59 3kl9 h GLU 278 Cb 0.32 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.83 3kl9 h GLU 278 CO -0.23 0.54 0.08 0.93 -1.18 0.00 0.00 179.01 179.16 3kl9 h GLU 279 N -0.21 0.21 -0.26 1.92 5.08 -0.92 -2.36 114.58 118.04 3kl9 h GLU 279 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kl9 h GLU 279 Cb 0.49 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kl9 h GLU 279 CO 0.01 0.14 0.00 0.00 -1.00 0.00 0.00 179.01 178.16 3kl9 n ALA 280 N -2.58 2.48 -3.47 3.43 0.00 -0.02 -4.94 120.51 115.42 3kl9 n ALA 280 Ca 0.06 -0.60 -0.19 0.00 0.00 0.00 0.00 53.44 52.72 3kl9 n ALA 280 Cb 0.27 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 18.76 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 1.13 -0.61 3.75 0.00 0.00 -0.89 -4.98 105.19 103.59 3kl9 n GLY 281 Ca 0.15 0.27 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.46 5.32 -0.09 -0.61 -1.09 0.08 -5.05 121.20 116.31 3kl9 s ILE 282 Ca 0.16 0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 58.77 3kl9 s ILE 282 Cb -0.03 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 3kl9 s ILE 282 CO 0.76 0.44 1.00 -0.75 -1.23 0.00 0.00 174.94 175.16 3kl9 s LYS 283 N 0.16 4.45 0.03 2.79 2.20 -1.26 -4.81 119.74 123.30 3kl9 s LYS 283 Ca 0.16 1.39 -0.14 0.00 -0.36 0.00 0.00 55.97 57.02 3kl9 s LYS 283 Cb -0.13 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 3kl9 s LYS 283 CO 0.04 -0.26 0.30 1.52 -0.36 0.00 0.00 175.35 176.58 3kl9 s TYR 284 N 1.82 -0.12 0.04 4.03 -0.85 -1.25 -2.12 117.35 118.91 3kl9 s TYR 284 Ca 0.49 0.04 0.07 0.00 -0.52 0.00 0.00 57.07 57.15 3kl9 s TYR 284 Cb -0.19 0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 3kl9 s TYR 284 CO 0.20 -0.47 -0.19 1.14 -1.52 0.00 0.00 175.55 174.71 3kl9 s GLN 285 N -2.19 1.30 0.59 -3.49 -2.07 -0.73 -4.91 119.66 108.16 3kl9 s GLN 285 Ca -0.08 -0.90 -0.18 0.00 -1.82 0.00 0.00 55.36 52.38 3kl9 s GLN 285 Cb -0.02 -1.40 -0.04 0.00 -1.09 0.00 0.00 33.01 30.47 3kl9 s GLN 285 CO -0.01 0.35 1.13 0.71 -1.32 0.00 0.00 175.29 176.15 3kl9 s TYR 286 N -0.81 2.62 -0.28 9.60 1.51 -1.26 -1.50 117.35 127.24 3kl9 s TYR 286 Ca 0.06 1.55 -0.02 0.00 -1.01 0.00 0.00 57.07 57.65 3kl9 s TYR 286 Cb -0.09 -3.27 0.17 0.00 -0.11 0.00 0.00 41.96 38.66 3kl9 s TYR 286 CO 0.02 -1.68 0.50 -0.47 -1.11 0.00 0.00 175.55 172.81 3kl9 s TYR 287 N -1.94 -1.28 -0.20 2.71 5.04 -0.73 -4.77 117.35 116.18 3kl9 s TYR 287 Ca 0.71 1.32 -0.23 0.00 -2.44 0.00 0.00 57.07 56.44 3kl9 s TYR 287 Cb -0.23 0.33 -0.02 0.00 0.35 0.00 0.00 41.96 42.38 3kl9 s TYR 287 CO 0.32 -0.82 0.71 0.00 -1.34 0.00 0.00 175.55 174.43 3kl9 s GLY 289 N 1.22 2.44 0.05 0.00 0.00 0.84 -4.99 107.32 106.89 3kl9 s GLY 289 Ca 0.32 -0.27 0.20 0.00 0.00 0.00 0.00 44.72 44.97 3kl9 s GLY 289 CO 0.11 0.09 0.73 0.28 0.00 0.00 0.00 173.10 174.31 3kl9 n LYS 290 N 1.85 0.63 -3.99 2.90 4.01 -1.26 -4.13 118.16 118.17 3kl9 n LYS 290 Ca -0.15 0.08 -0.24 0.00 -0.51 0.00 0.00 58.31 57.49 3kl9 n LYS 290 Cb 0.53 -1.72 -0.05 0.00 -0.51 0.00 0.00 35.03 33.27 3kl9 n LYS 290 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3kl9 s GLY 291 N -4.69 2.33 0.69 0.72 0.00 -1.26 -4.60 107.32 100.52 3kl9 s GLY 291 Ca -0.04 -1.85 -0.07 0.00 0.00 0.00 0.00 44.72 42.77 3kl9 s GLY 291 CO 0.83 -1.88 1.00 -0.32 0.00 0.00 0.00 173.10 172.73 3kl9 s GLY 292 N -4.01 1.68 0.20 0.20 0.00 -1.26 -4.57 107.32 99.56 3kl9 s GLY 292 Ca 0.40 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 44.22 3kl9 s GLY 292 CO 0.23 -0.51 0.09 -0.51 0.00 0.00 0.00 173.10 172.40 3kl9 s THR 293 N -3.22 0.28 0.58 0.90 -4.23 -1.26 -5.03 115.64 103.65 3kl9 s THR 293 Ca 0.60 -1.98 0.32 0.00 -1.18 0.00 0.00 61.69 59.44 3kl9 s THR 293 Cb -0.11 -2.39 0.45 0.00 1.34 0.00 0.00 72.50 71.79 3kl9 s THR 293 CO 0.45 -0.16 1.76 0.44 -0.54 0.00 0.00 174.62 176.56 3kl9 h ASP 294 N 2.61 0.00 -0.65 3.99 3.32 -1.94 0.10 116.42 123.85 3kl9 h ASP 294 Ca -0.37 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.72 3kl9 h ASP 294 Cb 1.23 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 3kl9 h ASP 294 CO 0.58 0.00 0.43 0.00 -1.72 0.00 0.00 179.24 178.53 3kl9 h ALA 295 N 1.28 1.66 -0.98 3.45 0.00 -1.96 -1.24 119.26 121.47 3kl9 h ALA 295 Ca 0.40 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.36 3kl9 h ALA 295 Cb 1.91 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 3kl9 h ALA 295 CO -0.00 0.26 0.63 0.78 0.00 0.00 0.00 179.25 180.92 3kl9 h GLY 296 N 0.76 1.51 0.29 0.00 0.00 -1.03 -2.26 103.07 102.34 3kl9 h GLY 296 Ca 0.27 -0.44 -0.21 0.00 0.00 0.00 0.00 47.33 46.95 3kl9 h GLY 296 CO -0.08 0.28 -1.07 0.00 0.00 0.00 0.00 176.54 175.67 3kl9 h ALA 297 N 1.49 0.16 -0.86 3.60 0.00 -1.63 -3.41 119.26 118.61 3kl9 h ALA 297 Ca 0.44 -0.99 0.03 0.00 0.00 0.00 0.00 54.91 54.39 3kl9 h ALA 297 Cb 0.28 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3kl9 h ALA 297 CO -0.19 0.61 0.56 0.00 0.00 0.00 0.00 179.25 180.23 3kl9 h ALA 298 N -0.16 1.12 0.00 0.00 0.00 -1.13 -2.56 119.26 116.53 3kl9 h ALA 298 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kl9 h ALA 298 Cb 1.48 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kl9 h ALA 298 CO -0.03 0.42 0.00 1.12 0.00 0.00 0.00 179.25 180.77 3kl9 h HIS 299 N 1.10 0.00 -0.32 0.00 2.07 -1.56 -2.28 115.15 114.17 3kl9 h HIS 299 Ca 0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 3kl9 h HIS 299 Cb -0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.94 3kl9 h HIS 299 CO -0.02 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.12 3kl9 n LEU 300 N -2.37 3.35 -4.92 6.12 4.77 -0.96 -2.02 117.00 120.97 3kl9 n LEU 300 Ca 0.00 -1.38 -0.26 0.00 -0.03 0.00 0.00 56.01 54.34 3kl9 n LEU 300 Cb 0.14 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3kl9 n LEU 300 CO 0.16 0.69 0.51 -0.54 -1.33 0.00 0.00 177.39 176.88 3kl9 s LYS 301 N -1.60 2.90 3.26 3.23 -0.14 -0.86 -4.77 119.74 121.76 3kl9 s LYS 301 Ca 0.37 -0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.91 3kl9 s LYS 301 Cb 0.22 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 3kl9 s LYS 301 CO 0.31 -0.68 0.00 0.09 -0.76 0.00 0.00 175.35 174.32 3kl9 n ASN 302 N -2.54 0.00 -0.32 2.83 5.03 -1.26 -0.93 115.26 118.07 3kl9 n ASN 302 Ca 0.04 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.63 3kl9 n ASN 302 Cb 0.58 0.00 0.63 0.00 -1.02 0.00 0.00 39.78 39.96 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 -0.31 0.00 7.41 0.00 -1.26 -4.99 105.19 106.04 3kl9 n GLY 303 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.09 2.91 2.56 -0.02 0.00 -0.11 -5.10 105.19 106.52 3kl9 n GLY 304 Ca 0.20 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.92 -0.09 0.18 1.61 1.01 -0.86 -4.95 120.40 116.39 3kl9 s VAL 305 Ca 0.00 -0.70 -0.33 0.00 0.00 0.00 0.00 61.98 60.95 3kl9 s VAL 305 Cb 0.00 -0.95 -0.15 0.00 0.00 0.00 0.00 36.38 35.28 3kl9 s VAL 305 CO 0.00 -0.68 1.29 -2.65 0.00 0.00 0.00 175.10 173.06 3kl9 n PRO 306 N 5.26 1.49 -4.12 2.72 -0.02 -1.25 -4.12 135.00 134.95 3kl9 n PRO 306 Ca -0.06 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 61.87 3kl9 n PRO 306 Cb 0.43 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.22 0.57 0.04 2.55 0.01 -1.26 -0.71 113.70 115.13 3kl9 s SER 307 Ca 0.74 -1.06 -0.00 0.00 1.31 0.00 0.00 55.95 56.93 3kl9 s SER 307 Cb -0.79 0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.64 3kl9 s SER 307 CO 0.49 -0.61 0.06 0.35 0.41 0.00 0.00 173.24 173.95 3kl9 n THR 308 N 0.02 0.00 -3.88 1.44 -2.24 -0.95 -4.72 114.28 103.94 3kl9 n THR 308 Ca -0.11 -0.20 -0.28 0.00 -2.27 0.00 0.00 64.05 61.19 3kl9 n THR 308 Cb 0.62 0.13 -0.17 0.00 -2.10 0.00 0.00 70.33 68.81 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 -2.53 1.06 -0.73 4.28 2.01 -1.26 -0.88 115.64 117.58 3kl9 s THR 309 Ca 0.03 -0.56 -0.26 0.00 0.31 0.00 0.00 61.69 61.21 3kl9 s THR 309 Cb -0.00 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.29 3kl9 s THR 309 CO 0.02 0.15 1.54 -0.63 -0.69 0.00 0.00 174.62 175.02 3kl9 s ILE 310 N 1.66 3.59 0.24 1.82 -1.09 0.10 -4.65 121.20 122.87 3kl9 s ILE 310 Ca 0.01 0.17 0.10 0.00 -2.23 0.00 0.00 60.65 58.71 3kl9 s ILE 310 Cb -0.15 -4.53 -0.04 0.00 -1.58 0.00 0.00 42.46 36.15 3kl9 s ILE 310 CO -0.08 -1.48 -0.09 -0.83 -1.23 0.00 0.00 174.94 171.23 3kl9 s GLY 311 N 5.66 1.73 0.04 6.18 0.00 -1.26 -3.43 107.32 116.25 3kl9 s GLY 311 Ca 0.50 -1.65 0.07 0.00 0.00 0.00 0.00 44.72 43.64 3kl9 s GLY 311 CO 0.13 -1.70 -0.21 0.14 0.00 0.00 0.00 173.10 171.46 3kl9 s VAL 312 N -2.12 1.69 0.18 1.40 1.01 -1.22 -0.19 120.40 121.15 3kl9 s VAL 312 Ca 0.28 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3kl9 s VAL 312 Cb -0.07 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3kl9 s VAL 312 CO 0.17 0.22 0.39 0.00 0.00 0.00 0.00 175.10 175.88 3kl9 s ALA 314 N -1.79 -0.47 0.14 0.00 0.00 -0.52 -4.73 121.76 114.39 3kl9 s ALA 314 Ca 0.40 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 3kl9 s ALA 314 Cb -0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 3kl9 s ALA 314 CO 0.27 -0.17 0.95 1.03 0.00 0.00 0.00 175.76 177.84 3kl9 s ARG 315 N -0.78 4.73 -1.01 0.00 0.52 0.13 -0.66 118.95 121.88 3kl9 s ARG 315 Ca -0.09 1.45 -0.02 0.00 -0.52 0.00 0.00 55.73 56.56 3kl9 s ARG 315 Cb -0.05 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.07 3kl9 s ARG 315 CO 0.01 0.29 0.85 0.66 0.02 0.00 0.00 175.30 177.13 3kl9 n TYR 316 N 2.47 -1.92 -1.48 -0.53 4.01 -1.26 -1.43 117.16 117.03 3kl9 n TYR 316 Ca 0.01 0.78 -0.36 0.00 -0.16 0.00 0.00 57.90 58.17 3kl9 n TYR 316 Cb 0.49 -4.48 0.07 0.00 -0.31 0.00 0.00 39.34 35.11 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 -3.78 3.31 -3.29 -0.72 -0.00 -1.26 -3.64 119.36 109.98 3kl9 n ILE 317 Ca -0.18 -0.43 -0.17 0.00 -0.00 0.00 0.00 62.75 61.97 3kl9 n ILE 317 Cb 0.62 -1.14 0.06 0.00 -0.00 0.00 0.00 39.64 39.18 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 -2.21 -2.11 -4.15 1.39 8.25 -1.26 -5.01 115.22 110.12 3kl9 n HIS 318 Ca 0.14 0.76 -0.17 0.00 -0.26 0.00 0.00 57.72 58.19 3kl9 n HIS 318 Cb 0.49 -4.11 -0.05 0.00 1.12 0.00 0.00 29.99 27.44 3kl9 n HIS 318 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kl9 s SER 319 N -3.37 1.26 0.04 0.41 1.04 -1.24 -4.73 113.70 107.11 3kl9 s SER 319 Ca 0.37 -1.61 0.27 0.00 0.48 0.00 0.00 55.95 55.46 3kl9 s SER 319 Cb -0.16 0.65 1.11 0.00 0.10 0.00 0.00 66.02 67.72 3kl9 s SER 319 CO 0.55 -1.26 1.86 1.41 0.98 0.00 0.00 173.24 176.79 3kl9 n HIS 320 N -0.61 0.15 -3.24 5.02 8.25 -1.26 -4.37 115.22 119.17 3kl9 n HIS 320 Ca 0.03 0.05 -0.25 0.00 -0.26 0.00 0.00 57.72 57.29 3kl9 n HIS 320 Cb 0.62 -0.58 -0.07 0.00 1.12 0.00 0.00 29.99 31.08 3kl9 n HIS 320 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kl9 n GLN 321 N -1.63 1.19 -3.35 -0.41 1.13 -1.24 -3.62 117.38 109.45 3kl9 n GLN 321 Ca 0.06 -3.60 -0.37 0.00 -1.94 0.00 0.00 57.00 51.15 3kl9 n GLN 321 Cb 0.34 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.13 3kl9 n GLN 321 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3kl9 s THR 322 N -1.59 4.84 -0.06 5.09 2.01 0.35 -4.73 115.64 121.55 3kl9 s THR 322 Ca 0.37 0.98 0.03 0.00 0.31 0.00 0.00 61.69 63.38 3kl9 s THR 322 Cb 0.17 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.89 3kl9 s THR 322 CO -0.09 0.43 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.90 3kl9 s LEU 323 N -1.45 1.82 0.12 4.42 0.20 -0.52 -0.82 118.68 122.45 3kl9 s LEU 323 Ca 0.32 -0.36 -0.18 0.00 0.69 0.00 0.00 54.13 54.59 3kl9 s LEU 323 Cb -0.17 -0.98 0.04 0.00 -0.43 0.00 0.00 46.19 44.65 3kl9 s LEU 323 CO 0.18 0.09 0.46 -0.72 -0.29 0.00 0.00 176.35 176.07 3kl9 s TYR 324 N 0.41 -0.30 -0.09 5.38 -0.85 -0.63 -0.70 117.35 120.57 3kl9 s TYR 324 Ca -0.12 0.06 -0.14 0.00 -0.52 0.00 0.00 57.07 56.34 3kl9 s TYR 324 Cb -0.15 0.33 -0.05 0.00 0.38 0.00 0.00 41.96 42.48 3kl9 s TYR 324 CO 0.04 -0.72 0.36 0.00 -1.52 0.00 0.00 175.55 173.71 3kl9 s ALA 325 N -3.61 3.63 0.18 9.51 0.00 -1.26 -0.77 121.76 129.45 3kl9 s ALA 325 Ca 0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.55 3kl9 s ALA 325 Cb 0.01 -2.40 0.07 0.00 0.00 0.00 0.00 23.12 20.80 3kl9 s ALA 325 CO -0.11 0.26 1.64 0.52 0.00 0.00 0.00 175.76 178.08 3kl9 h MET 326 N 5.81 1.09 -0.63 0.00 2.86 -1.84 -3.11 114.93 119.11 3kl9 h MET 326 Ca -0.46 -0.35 0.12 0.00 -2.06 0.00 0.00 59.70 56.95 3kl9 h MET 326 Cb 1.19 -0.10 -0.09 0.00 0.06 0.00 0.00 31.60 32.67 3kl9 h MET 326 CO 0.69 1.06 0.15 0.22 1.06 0.00 0.00 176.91 180.08 3kl9 h ASP 327 N 0.99 0.04 -0.93 1.22 3.58 -1.94 -0.15 116.42 119.22 3kl9 h ASP 327 Ca 0.18 0.11 0.14 0.00 0.42 0.00 0.00 57.03 57.88 3kl9 h ASP 327 Cb 0.56 0.15 -0.09 0.00 1.72 0.00 0.00 39.33 41.67 3kl9 h ASP 327 CO 0.03 0.02 0.55 0.44 -2.88 0.00 0.00 179.24 177.40 3kl9 h ASP 328 N 0.28 0.74 0.07 2.28 3.32 -1.89 0.36 116.42 121.59 3kl9 h ASP 328 Ca 0.33 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 3kl9 h ASP 328 Cb 0.50 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3kl9 h ASP 328 CO -0.41 0.35 -0.03 0.15 -1.72 0.00 0.00 179.24 177.58 3kl9 h PHE 329 N 0.80 -0.08 -0.54 4.55 3.57 -1.07 -0.53 116.94 123.63 3kl9 h PHE 329 Ca 0.49 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.08 3kl9 h PHE 329 Cb 0.61 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.31 3kl9 h PHE 329 CO -0.04 -0.03 0.16 -0.07 -2.23 0.00 0.00 178.31 176.10 3kl9 h LEU 330 N -0.12 0.11 0.02 0.59 3.38 -0.72 0.87 115.31 119.44 3kl9 h LEU 330 Ca -0.01 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kl9 h LEU 330 Cb 0.09 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3kl9 h LEU 330 CO 0.02 0.08 -0.11 -0.33 0.09 0.00 0.00 178.44 178.18 3kl9 h GLU 331 N 0.31 -0.20 -0.36 1.13 4.39 -0.71 -1.32 114.58 117.82 3kl9 h GLU 331 Ca 0.27 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 3kl9 h GLU 331 Cb 0.35 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 3kl9 h GLU 331 CO -0.31 -0.13 0.06 0.00 -1.16 0.00 0.00 179.01 177.47 3kl9 h ALA 332 N 0.74 1.44 0.13 3.43 0.00 -0.63 -1.52 119.26 122.86 3kl9 h ALA 332 Ca 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kl9 h ALA 332 Cb 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kl9 h ALA 332 CO -0.10 0.41 -0.06 0.37 0.00 0.00 0.00 179.25 179.86 3kl9 h GLN 333 N 0.52 -0.17 -0.85 0.00 5.75 -0.49 0.11 115.11 119.99 3kl9 h GLN 333 Ca 0.12 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.71 3kl9 h GLN 333 Cb 0.24 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.77 3kl9 h GLN 333 CO 0.00 0.08 0.55 0.00 -2.65 0.00 0.00 178.83 176.82 3kl9 h ALA 334 N 0.42 1.61 -0.36 3.38 0.00 -1.08 -1.14 119.26 122.09 3kl9 h ALA 334 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3kl9 h ALA 334 Cb 0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kl9 h ALA 334 CO 0.03 0.25 -0.01 0.35 0.00 0.00 0.00 179.25 179.87 3kl9 h PHE 335 N 0.90 0.70 -0.30 0.00 -0.00 -0.99 -1.96 116.94 115.30 3kl9 h PHE 335 Ca 0.37 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.97 58.21 3kl9 h PHE 335 Cb 0.28 -0.18 -0.01 0.00 -0.00 0.00 0.00 35.95 36.04 3kl9 h PHE 335 CO -0.00 0.75 0.14 1.25 -0.00 0.00 0.00 178.31 180.45 3kl9 h LEU 336 N 0.46 0.40 0.44 0.59 6.46 -0.15 -1.71 115.31 121.80 3kl9 h LEU 336 Ca 0.10 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 3kl9 h LEU 336 Cb 0.47 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 3kl9 h LEU 336 CO 0.02 0.42 -0.34 1.56 -0.62 0.00 0.00 178.44 179.48 3kl9 h GLN 337 N 0.36 -0.75 -0.98 1.25 4.20 -1.15 -1.72 115.11 116.30 3kl9 h GLN 337 Ca 0.10 0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.94 3kl9 h GLN 337 Cb 0.13 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 3kl9 h GLN 337 CO -0.01 -0.50 0.63 0.00 -0.67 0.00 0.00 178.83 178.28 3kl9 h ALA 338 N -0.34 1.45 0.06 3.87 0.00 -1.35 -1.39 119.26 121.55 3kl9 h ALA 338 Ca -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kl9 h ALA 338 Cb 0.67 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kl9 h ALA 338 CO -0.00 0.39 -0.03 -0.07 0.00 0.00 0.00 179.25 179.55 3kl9 h LEU 339 N 1.12 -0.06 -0.71 0.00 3.38 -0.86 -1.11 115.31 117.06 3kl9 h LEU 339 Ca 0.43 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 3kl9 h LEU 339 Cb 0.22 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kl9 h LEU 339 CO -0.18 0.03 -0.40 -0.37 0.09 0.00 0.00 178.44 177.61 3kl9 h VAL 340 N -0.15 0.85 -0.63 1.22 -1.51 -1.08 -2.06 116.25 112.88 3kl9 h VAL 340 Ca -0.01 -1.68 -0.09 0.00 -1.23 0.00 0.00 66.70 63.70 3kl9 h VAL 340 Cb 0.13 2.05 -0.02 0.00 -2.13 0.00 0.00 31.29 31.31 3kl9 h VAL 340 CO 0.01 0.39 0.04 0.11 -1.23 0.00 0.00 177.57 176.90 3kl9 h LYS 341 N 0.00 1.08 -0.00 5.19 1.57 -1.11 -3.17 116.57 120.12 3kl9 h LYS 341 Ca -0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3kl9 h LYS 341 Cb 1.01 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3kl9 h LYS 341 CO 0.05 1.03 -0.24 1.17 -0.57 0.00 0.00 179.45 180.89 3kl9 n LYS 342 N -4.21 0.27 -2.67 3.15 4.81 -0.43 -4.64 118.16 114.44 3kl9 n LYS 342 Ca 0.03 -0.11 -0.43 0.00 -0.87 0.00 0.00 58.31 56.93 3kl9 n LYS 342 Cb 0.33 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.85 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 -2.81 3.82 0.00 3.14 1.43 -0.80 -4.71 118.68 118.74 3kl9 s LEU 343 Ca 0.18 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.89 3kl9 s LEU 343 Cb 0.19 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.95 3kl9 s LEU 343 CO 0.58 -1.06 0.31 -0.90 0.23 0.00 0.00 176.35 175.50 3kl9 n ASP 344 N 7.32 -0.85 -0.22 2.29 3.85 -1.26 -3.55 116.55 124.13 3kl9 n ASP 344 Ca 0.11 -2.25 0.03 0.00 -0.71 0.00 0.00 54.79 51.96 3kl9 n ASP 344 Cb 0.48 1.61 0.14 0.00 -1.35 0.00 0.00 41.12 42.00 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 0.21 0.27 0.11 9.65 -1.87 -0.01 114.38 122.74 3kl9 h ARG 345 Ca -0.18 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.70 3kl9 h ARG 345 Cb 0.78 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.27 3kl9 h ARG 345 CO 0.24 0.14 -0.46 0.77 2.80 0.00 0.00 179.97 183.46 3kl9 h SER 346 N 0.22 -1.31 0.34 -3.80 0.02 -1.95 -2.23 113.55 104.83 3kl9 h SER 346 Ca 0.36 0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 61.29 3kl9 h SER 346 Cb 0.58 0.47 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3kl9 h SER 346 CO -0.49 -0.56 -0.62 0.71 -1.14 0.00 0.00 176.83 174.73 3kl9 h THR 347 N -0.80 1.39 0.00 -2.27 1.35 -1.64 -0.71 112.91 110.22 3kl9 h THR 347 Ca -0.01 -2.00 -0.07 0.00 -0.55 0.00 0.00 66.41 63.78 3kl9 h THR 347 Cb 0.76 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 3kl9 h THR 347 CO -0.17 0.59 -0.31 -0.37 -0.25 0.00 0.00 175.52 175.01 3kl9 h VAL 348 N 0.20 0.57 -0.25 6.82 -1.51 -1.09 -0.99 116.25 120.00 3kl9 h VAL 348 Ca -0.01 -1.64 -0.15 0.00 -1.23 0.00 0.00 66.70 63.67 3kl9 h VAL 348 Cb 1.13 2.15 -0.00 0.00 -2.13 0.00 0.00 31.29 32.44 3kl9 h VAL 348 CO 0.10 0.31 -0.42 0.44 -1.23 0.00 0.00 177.57 176.77 3kl9 h ASP 349 N 0.00 0.80 0.23 4.19 5.19 -1.09 -1.85 116.42 123.89 3kl9 h ASP 349 Ca -0.00 -0.53 -0.01 0.00 -0.62 0.00 0.00 57.03 55.87 3kl9 h ASP 349 Cb 1.13 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.41 3kl9 h ASP 349 CO 0.04 1.17 -0.11 0.25 -3.12 0.00 0.00 179.24 177.47 3kl9 h LEU 350 N 0.46 -0.26 -0.86 1.55 6.46 -1.05 -0.44 115.31 121.16 3kl9 h LEU 350 Ca 0.02 -0.02 0.19 0.00 -0.12 0.00 0.00 57.88 57.95 3kl9 h LEU 350 Cb 1.01 0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 40.90 3kl9 h LEU 350 CO 0.09 -0.15 0.38 0.40 -0.62 0.00 0.00 178.44 178.54 3kl9 h ILE 351 N -0.34 0.57 -0.75 4.05 2.04 -1.21 0.13 117.51 122.01 3kl9 h ILE 351 Ca -0.03 -0.16 -0.36 0.00 1.00 0.00 0.00 64.86 65.31 3kl9 h ILE 351 Cb 0.26 0.07 -0.21 0.00 -0.74 0.00 0.00 36.82 36.20 3kl9 h ILE 351 CO 0.05 0.08 0.45 0.29 0.00 0.00 0.00 178.15 179.03 3kl9 n LYS 352 N -5.00 2.29 -2.22 2.37 5.02 -0.70 -4.32 118.16 115.61 3kl9 n LYS 352 Ca 0.19 -2.42 -0.38 0.00 -2.02 0.00 0.00 58.31 53.68 3kl9 n LYS 352 Cb 0.55 -1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 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 -2.60 1.91 -1.49 2.13 2.46 0.47 -4.96 115.29 113.20 3kl9 s HIS 353 Ca 0.45 0.43 0.12 0.00 0.47 0.00 0.00 55.06 56.53 3kl9 s HIS 353 Cb 0.38 -4.28 0.09 0.00 -0.13 0.00 0.00 32.58 28.64 3kl9 s HIS 353 CO 0.09 -2.17 0.88 0.66 -2.47 0.00 0.00 174.74 171.73