#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 -0.55 -1.40 1.09 6.46 -2.05 -1.37 115.31 117.49 3kl9 h LEU 4 Ca 0.00 0.05 0.12 0.00 -0.12 0.00 0.00 57.88 57.92 3kl9 h LEU 4 Cb 0.00 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.06 3kl9 h LEU 4 CO 0.00 -0.32 0.52 0.15 -0.62 0.00 0.00 178.44 178.17 3kl9 h PHE 5 N -0.48 0.70 -0.24 1.25 3.04 -2.01 0.15 116.94 119.35 3kl9 h PHE 5 Ca -0.01 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 3kl9 h PHE 5 Cb 0.43 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 3kl9 h PHE 5 CO -0.13 0.30 0.15 0.77 -2.02 0.00 0.00 178.31 177.38 3kl9 h SER 6 N 0.63 0.29 -0.44 0.41 0.02 -1.87 0.83 113.55 113.43 3kl9 h SER 6 Ca 0.38 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 3kl9 h SER 6 Cb 0.59 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3kl9 h SER 6 CO -0.14 0.26 0.17 0.11 -1.14 0.00 0.00 176.83 176.09 3kl9 h LYS 7 N 0.30 0.66 -0.11 3.45 1.57 -0.04 -1.98 116.57 120.42 3kl9 h LYS 7 Ca 0.09 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kl9 h LYS 7 Cb 0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3kl9 h LYS 7 CO -0.02 0.61 0.04 0.82 -0.57 0.00 0.00 179.45 180.34 3kl9 h ILE 8 N 0.56 1.15 -0.72 1.86 2.04 -0.68 -2.98 117.51 118.75 3kl9 h ILE 8 Ca 0.14 -0.45 0.13 0.00 1.00 0.00 0.00 64.86 65.68 3kl9 h ILE 8 Cb 0.20 1.24 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 3kl9 h ILE 8 CO -0.01 0.13 0.28 0.50 0.00 0.00 0.00 178.15 179.05 3kl9 h LYS 9 N 0.02 0.42 0.56 2.37 3.64 -0.64 -1.26 116.57 121.69 3kl9 h LYS 9 Ca 0.04 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3kl9 h LYS 9 Cb 0.17 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3kl9 h LYS 9 CO -0.00 0.28 -0.37 1.49 -2.27 0.00 0.00 179.45 178.57 3kl9 h GLU 10 N 0.43 -0.86 -0.57 1.90 4.81 -1.26 -2.09 114.58 116.94 3kl9 h GLU 10 Ca 0.39 0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.57 3kl9 h GLU 10 Cb 0.56 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3kl9 h GLU 10 CO -0.38 -0.58 -0.06 -0.39 -0.73 0.00 0.00 179.01 176.87 3kl9 h VAL 11 N -0.90 1.27 0.00 0.32 -1.51 -1.35 -2.82 116.25 111.26 3kl9 h VAL 11 Ca -0.07 -1.21 -0.05 0.00 -1.23 0.00 0.00 66.70 64.14 3kl9 h VAL 11 Cb 0.74 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 3kl9 h VAL 11 CO 0.05 0.43 -0.23 0.71 -1.23 0.00 0.00 177.57 177.31 3kl9 h THR 12 N 0.92 0.99 -0.09 7.19 1.35 -1.25 -2.98 112.91 119.04 3kl9 h THR 12 Ca 0.15 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3kl9 h THR 12 Cb 0.62 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3kl9 h THR 12 CO 0.04 0.22 0.00 -0.62 -0.25 0.00 0.00 175.52 174.91 3kl9 n GLU 13 N -4.01 1.70 -2.47 4.72 1.02 -0.79 -4.76 120.64 116.04 3kl9 n GLU 13 Ca -0.02 -1.03 -0.34 0.00 -0.02 0.00 0.00 57.16 55.75 3kl9 n GLU 13 Cb 0.30 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.79 3.81 -0.39 -4.62 1.43 -1.13 -5.03 118.68 110.96 3kl9 s LEU 14 Ca 0.35 1.94 -0.03 0.00 -1.03 0.00 0.00 54.13 55.37 3kl9 s LEU 14 Cb 0.19 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.95 3kl9 s LEU 14 CO 0.30 -0.86 0.16 0.00 0.23 0.00 0.00 176.35 176.18 3kl9 s ALA 15 N -2.00 3.09 -0.25 4.21 0.00 -1.26 -5.03 121.76 120.51 3kl9 s ALA 15 Ca 0.68 -2.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.24 3kl9 s ALA 15 Cb -0.17 -2.32 0.13 0.00 0.00 0.00 0.00 23.12 20.76 3kl9 s ALA 15 CO 0.22 -1.69 0.32 0.00 0.00 0.00 0.00 175.76 174.61 3kl9 s ALA 16 N 1.16 -0.71 0.60 0.00 0.00 -1.26 -4.74 121.76 116.81 3kl9 s ALA 16 Ca 0.06 0.29 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 3kl9 s ALA 16 Cb -0.22 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 3kl9 s ALA 16 CO -0.04 -1.45 0.97 0.08 0.00 0.00 0.00 175.76 175.33 3kl9 s VAL 17 N 2.44 4.37 0.22 0.00 1.01 -1.26 -0.85 120.40 126.32 3kl9 s VAL 17 Ca 0.10 0.53 -0.31 0.00 0.00 0.00 0.00 61.98 62.30 3kl9 s VAL 17 Cb -0.15 -3.73 -0.15 0.00 0.00 0.00 0.00 36.38 32.35 3kl9 s VAL 17 CO -0.22 -0.88 1.06 -1.20 0.00 0.00 0.00 175.10 173.86 3kl9 n SER 18 N -2.67 1.18 0.00 3.32 7.64 -1.24 -1.00 113.62 120.85 3kl9 n SER 18 Ca 0.05 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.08 3kl9 n SER 18 Cb 0.55 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 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 1.69 2.82 2.13 0.23 0.00 -1.26 -4.85 105.19 105.95 3kl9 n GLY 19 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 1.50 0.13 1.61 -0.00 -0.17 -4.90 115.22 111.38 3kl9 n HIS 20 Ca 0.00 -1.89 0.04 0.00 -0.00 0.00 0.00 57.72 55.87 3kl9 n HIS 20 Cb 0.00 -0.26 0.21 0.00 -0.00 0.00 0.00 29.99 29.94 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 -0.56 2.87 -0.28 -0.41 0.00 -1.24 -4.37 120.64 116.65 3kl9 n GLU 21 Ca 0.22 -1.63 0.07 0.00 0.00 0.00 0.00 57.16 55.82 3kl9 n GLU 21 Cb 0.89 -1.80 0.19 0.00 0.00 0.00 0.00 31.44 30.72 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 0.89 -0.71 -1.84 0.00 -1.93 -0.75 119.26 118.11 3kl9 h ALA 22 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3kl9 h ALA 22 Cb 1.15 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 3kl9 h ALA 22 CO 0.22 -0.45 0.42 -1.35 0.00 0.00 0.00 179.25 178.09 3kl9 h PRO 23 N 0.09 0.96 -0.13 0.00 0.11 -1.85 -0.30 132.00 130.88 3kl9 h PRO 23 Ca 0.46 -0.08 -0.22 0.00 0.11 0.00 0.00 66.00 66.26 3kl9 h PRO 23 Cb 0.84 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.76 3kl9 h PRO 23 CO -0.73 0.68 -0.80 0.28 -0.21 0.00 0.00 178.00 177.22 3kl9 h VAL 24 N 0.98 1.29 0.01 3.15 2.07 -1.66 -2.97 116.25 119.12 3kl9 h VAL 24 Ca 0.26 -2.02 0.03 0.00 0.82 0.00 0.00 66.70 65.79 3kl9 h VAL 24 Cb -0.03 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3kl9 h VAL 24 CO -0.05 0.63 -0.21 -0.09 0.02 0.00 0.00 177.57 177.88 3kl9 h ARG 25 N 0.50 -0.32 -0.63 1.57 2.43 -0.59 -1.53 114.38 115.82 3kl9 h ARG 25 Ca -0.06 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 3kl9 h ARG 25 Cb 1.42 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.93 3kl9 h ARG 25 CO 0.16 -0.22 -0.23 0.00 -1.51 0.00 0.00 179.97 178.17 3kl9 h ALA 26 N 0.54 0.24 -0.47 2.80 0.00 -1.13 0.25 119.26 121.49 3kl9 h ALA 26 Ca 0.06 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.25 3kl9 h ALA 26 Cb 0.41 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3kl9 h ALA 26 CO -0.18 -0.52 0.16 -0.92 0.00 0.00 0.00 179.25 177.78 3kl9 h TYR 27 N -0.07 0.28 -0.01 0.00 5.03 -1.30 -1.60 116.97 119.30 3kl9 h TYR 27 Ca 0.28 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.47 3kl9 h TYR 27 Cb 0.52 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 3kl9 h TYR 27 CO -0.58 0.09 -0.70 -0.07 -1.32 0.00 0.00 178.16 175.59 3kl9 h LEU 28 N 0.33 0.08 -0.35 2.82 3.38 -0.16 -2.56 115.31 118.85 3kl9 h LEU 28 Ca 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3kl9 h LEU 28 Cb 0.24 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3kl9 h LEU 28 CO -0.24 0.75 0.20 -0.09 0.09 0.00 0.00 178.44 179.15 3kl9 h ARG 29 N 0.05 0.49 0.00 1.13 2.43 -0.27 0.53 114.38 118.73 3kl9 h ARG 29 Ca -0.01 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3kl9 h ARG 29 Cb 1.23 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3kl9 h ARG 29 CO 0.10 0.39 -0.14 1.49 -1.51 0.00 0.00 179.97 180.30 3kl9 h GLU 30 N 0.45 0.00 0.00 0.20 4.22 -1.08 -1.80 114.58 116.57 3kl9 h GLU 30 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.57 3kl9 h GLU 30 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3kl9 h GLU 30 CO -0.02 0.14 -1.41 1.63 -2.18 0.00 0.00 179.01 177.17 3kl9 n LYS 31 N -4.13 0.47 -0.08 1.92 5.02 -0.98 -4.48 118.16 115.90 3kl9 n LYS 31 Ca -0.02 -0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 55.95 3kl9 n LYS 31 Cb 0.22 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 3kl9 n LYS 31 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kl9 n LEU 32 N -1.82 2.42 -0.37 -0.35 4.32 0.15 -4.65 117.00 116.70 3kl9 n LEU 32 Ca 0.00 0.19 -0.02 0.00 -0.02 0.00 0.00 56.01 56.16 3kl9 n LEU 32 Cb 0.42 -0.97 0.03 0.00 -1.62 0.00 0.00 43.42 41.28 3kl9 n LEU 32 CO 0.42 0.70 0.55 0.41 -1.22 0.00 0.00 177.39 178.25 3kl9 n THR 33 N -3.79 -0.52 1.31 -5.08 -1.04 -0.69 -1.52 114.28 102.96 3kl9 n THR 33 Ca -0.41 2.25 0.14 0.00 -2.04 0.00 0.00 64.05 64.00 3kl9 n THR 33 Cb 0.92 -2.96 0.68 0.00 -1.82 0.00 0.00 70.33 67.16 3kl9 n THR 33 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3kl9 n PRO 34 N -5.39 0.35 -0.26 -2.82 -0.04 -1.26 -3.22 135.00 122.36 3kl9 n PRO 34 Ca 0.09 -0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 3kl9 n PRO 34 Cb 0.37 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.52 3kl9 n PRO 34 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3kl9 n HIS 35 N -1.29 0.56 -3.88 0.54 8.25 -0.58 -5.01 115.22 113.81 3kl9 n HIS 35 Ca 0.12 -0.74 -0.11 0.00 -0.26 0.00 0.00 57.72 56.73 3kl9 n HIS 35 Cb 0.27 -0.17 -0.10 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.08 0.09 -0.00 1.59 1.01 -1.16 -4.68 120.40 115.17 3kl9 s VAL 36 Ca 0.30 -0.72 0.17 0.00 0.00 0.00 0.00 61.98 61.73 3kl9 s VAL 36 Cb 0.23 -0.41 0.09 0.00 0.00 0.00 0.00 36.38 36.28 3kl9 s VAL 36 CO 0.09 -0.39 1.57 0.44 0.00 0.00 0.00 175.10 176.81 3kl9 h ASP 37 N 4.31 0.00 -4.49 3.32 3.32 -1.73 -3.47 116.42 117.68 3kl9 h ASP 37 Ca -0.31 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.68 3kl9 h ASP 37 Cb 1.20 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.54 3kl9 h ASP 37 CO 0.41 0.46 0.12 -0.70 -1.72 0.00 0.00 179.24 177.81 3kl9 s GLU 38 N -3.23 0.91 -0.22 3.56 2.12 -1.06 -4.99 118.70 115.79 3kl9 s GLU 38 Ca 0.02 0.59 0.02 0.00 0.36 0.00 0.00 54.97 55.96 3kl9 s GLU 38 Cb 0.09 0.44 0.04 0.00 0.26 0.00 0.00 34.13 34.96 3kl9 s GLU 38 CO 0.72 -0.21 -0.15 0.08 -0.54 0.00 0.00 175.26 175.17 3kl9 s VAL 39 N -0.42 2.05 0.46 3.70 1.01 -1.26 -0.09 120.40 125.86 3kl9 s VAL 39 Ca -0.06 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 60.70 3kl9 s VAL 39 Cb -0.03 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3kl9 s VAL 39 CO 0.05 0.23 0.06 0.68 0.00 0.00 0.00 175.10 176.13 3kl9 s VAL 40 N 1.22 1.66 -0.07 2.92 -7.23 -0.04 -4.98 120.40 113.88 3kl9 s VAL 40 Ca -0.02 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 3kl9 s VAL 40 Cb -0.17 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.22 3kl9 s VAL 40 CO -0.09 0.00 0.28 0.28 -0.31 0.00 0.00 175.10 175.26 3kl9 s THR 41 N -2.77 0.03 0.91 5.32 -1.32 -1.26 -1.22 115.64 115.33 3kl9 s THR 41 Ca 0.23 -0.23 -0.14 0.00 -1.21 0.00 0.00 61.69 60.34 3kl9 s THR 41 Cb 0.05 -0.47 0.17 0.00 -1.51 0.00 0.00 72.50 70.73 3kl9 s THR 41 CO 0.13 -0.13 1.26 1.51 -2.21 0.00 0.00 174.62 175.18 3kl9 s ASP 42 N -0.49 3.53 0.38 8.08 1.47 -0.33 -4.95 116.67 124.35 3kl9 s ASP 42 Ca -0.06 0.33 0.27 0.00 1.18 0.00 0.00 52.55 54.26 3kl9 s ASP 42 Cb -0.04 -0.50 1.33 0.00 -0.34 0.00 0.00 42.92 43.37 3kl9 s ASP 42 CO 0.02 -2.47 1.81 1.23 0.68 0.00 0.00 175.17 176.44 3kl9 h GLY 43 N -1.42 0.00 -0.45 2.12 0.00 -1.92 -2.95 103.07 98.45 3kl9 h GLY 43 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3kl9 h GLY 43 CO 0.44 0.00 -0.21 1.04 0.00 0.00 0.00 176.54 177.81 3kl9 n LEU 44 N -2.45 1.21 0.00 3.11 4.32 -1.26 -5.00 117.00 116.92 3kl9 n LEU 44 Ca -0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 56.01 55.22 3kl9 n LEU 44 Cb 0.12 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 3kl9 n LEU 44 CO 0.16 0.24 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 3kl9 n GLY 45 N 0.90 1.17 3.72 -0.72 0.00 -1.12 -4.90 105.19 104.24 3kl9 n GLY 45 Ca 0.04 0.00 -0.42 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 -1.44 2.59 -0.13 -0.02 0.00 -1.26 -4.80 107.32 102.26 3kl9 s GLY 46 Ca 0.00 0.85 -0.06 0.00 0.00 0.00 0.00 44.72 45.51 3kl9 s GLY 46 CO 0.00 1.89 0.08 -0.26 0.00 0.00 0.00 173.10 174.82 3kl9 s ILE 47 N 0.49 5.02 0.02 0.90 -5.25 -1.12 -1.18 121.20 120.09 3kl9 s ILE 47 Ca 0.55 0.03 0.01 0.00 -0.99 0.00 0.00 60.65 60.25 3kl9 s ILE 47 Cb -0.30 -3.19 -0.02 0.00 2.95 0.00 0.00 42.46 41.91 3kl9 s ILE 47 CO 0.32 0.58 -0.05 -0.36 -1.79 0.00 0.00 174.94 173.64 3kl9 s PHE 48 N -0.65 0.41 -0.22 1.37 0.40 -0.35 -1.21 117.98 117.72 3kl9 s PHE 48 Ca 0.12 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.96 3kl9 s PHE 48 Cb -0.12 -0.26 -0.04 0.00 0.51 0.00 0.00 43.02 43.11 3kl9 s PHE 48 CO 0.02 -0.11 0.11 0.20 0.70 0.00 0.00 175.22 176.15 3kl9 s GLY 49 N -1.18 1.92 -0.24 4.36 0.00 0.49 -0.86 107.32 111.81 3kl9 s GLY 49 Ca -0.10 -0.87 -0.18 0.00 0.00 0.00 0.00 44.72 43.57 3kl9 s GLY 49 CO -0.00 0.28 0.51 -0.42 0.00 0.00 0.00 173.10 173.47 3kl9 s ILE 50 N 0.87 5.09 -0.47 0.90 1.01 0.88 -0.77 121.20 128.70 3kl9 s ILE 50 Ca 0.06 0.90 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 3kl9 s ILE 50 Cb -0.13 -3.83 0.13 0.00 0.01 0.00 0.00 42.46 38.63 3kl9 s ILE 50 CO 0.03 0.13 0.26 -0.75 0.00 0.00 0.00 174.94 174.60 3kl9 s LYS 51 N 2.01 2.10 0.57 2.79 2.20 0.18 -2.18 119.74 127.41 3kl9 s LYS 51 Ca 0.22 -2.09 -0.20 0.00 -0.36 0.00 0.00 55.97 53.53 3kl9 s LYS 51 Cb -0.15 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 3kl9 s LYS 51 CO 0.09 -1.09 1.29 -1.01 -0.36 0.00 0.00 175.35 174.27 3kl9 s HIS 52 N 0.66 2.33 -0.01 4.03 3.76 -1.26 -2.29 115.29 122.50 3kl9 s HIS 52 Ca 0.12 1.45 0.05 0.00 -0.15 0.00 0.00 55.06 56.52 3kl9 s HIS 52 Cb -0.22 -3.66 -0.03 0.00 1.11 0.00 0.00 32.58 29.78 3kl9 s HIS 52 CO -0.04 -2.60 -0.14 0.45 -0.85 0.00 0.00 174.74 171.55 3kl9 s SER 53 N -1.23 4.04 0.35 1.40 0.15 -1.26 -4.83 113.70 112.31 3kl9 s SER 53 Ca 0.74 -0.27 0.19 0.00 0.70 0.00 0.00 55.95 57.31 3kl9 s SER 53 Cb -0.36 -0.80 0.35 0.00 -1.71 0.00 0.00 66.02 63.49 3kl9 s SER 53 CO 0.41 0.30 1.58 -0.33 1.20 0.00 0.00 173.24 176.40 3kl9 h GLU 54 N 4.94 0.00 -7.15 5.44 5.08 -1.94 -3.47 114.58 117.49 3kl9 h GLU 54 Ca -0.47 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.35 3kl9 h GLU 54 Cb 1.15 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.55 3kl9 h GLU 54 CO 0.50 0.36 0.44 0.00 -1.00 0.00 0.00 179.01 179.30 3kl9 s ALA 55 N -3.19 2.25 0.00 3.43 0.00 -1.26 -4.99 121.76 117.99 3kl9 s ALA 55 Ca 0.03 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.98 3kl9 s ALA 55 Cb 0.08 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3kl9 s ALA 55 CO 0.70 -1.70 0.63 0.28 0.00 0.00 0.00 175.76 175.68 3kl9 n VAL 56 N -2.34 0.00 -0.73 0.00 0.31 -1.26 -3.71 118.33 110.60 3kl9 n VAL 56 Ca 0.14 1.09 -0.19 0.00 -0.01 0.00 0.00 64.34 65.37 3kl9 n VAL 56 Cb 0.50 -2.02 0.10 0.00 -0.91 0.00 0.00 33.84 31.50 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 -1.58 4.85 -4.67 4.52 2.03 -1.26 -4.98 116.55 115.46 3kl9 n ASP 57 Ca 0.00 -3.19 -0.54 0.00 0.52 0.00 0.00 54.79 51.58 3kl9 n ASP 57 Cb 0.00 -0.85 -0.06 0.00 -0.72 0.00 0.00 41.12 39.49 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 -0.43 -0.21 -1.83 -1.67 0.00 -1.24 -4.74 120.51 110.39 3kl9 n ALA 58 Ca 0.41 0.42 -0.37 0.00 0.00 0.00 0.00 53.44 53.90 3kl9 n ALA 58 Cb 1.03 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 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 2.49 4.55 -0.05 0.00 0.04 -1.26 -4.54 135.00 136.23 3kl9 s PRO 59 Ca 0.92 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 3kl9 s PRO 59 Cb -0.96 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.70 3kl9 s PRO 59 CO 0.56 0.31 1.44 1.03 0.04 0.00 0.00 177.00 180.38 3kl9 s ARG 60 N -2.00 4.24 -0.13 4.56 0.52 -1.26 -0.18 118.95 124.70 3kl9 s ARG 60 Ca 0.49 1.95 0.02 0.00 -0.52 0.00 0.00 55.73 57.67 3kl9 s ARG 60 Cb -0.19 -3.73 -0.00 0.00 0.52 0.00 0.00 34.95 31.55 3kl9 s ARG 60 CO 0.24 -0.68 -0.19 0.08 0.02 0.00 0.00 175.30 174.77 3kl9 s VAL 61 N 3.11 2.43 -0.18 3.52 1.01 -0.27 -0.13 120.40 129.88 3kl9 s VAL 61 Ca 0.64 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3kl9 s VAL 61 Cb -0.30 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3kl9 s VAL 61 CO 0.24 0.54 -0.05 -0.22 0.00 0.00 0.00 175.10 175.61 3kl9 s LEU 62 N 0.61 3.03 -0.14 3.92 2.96 -0.86 -0.26 118.68 127.94 3kl9 s LEU 62 Ca -0.10 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3kl9 s LEU 62 Cb -0.16 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 3kl9 s LEU 62 CO 0.03 0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.29 3kl9 s VAL 63 N 0.91 2.71 -0.13 1.68 1.01 0.68 -0.26 120.40 127.00 3kl9 s VAL 63 Ca -0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 3kl9 s VAL 63 Cb -0.15 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.14 3kl9 s VAL 63 CO 0.01 0.52 0.33 0.00 0.00 0.00 0.00 175.10 175.97 3kl9 s ALA 64 N 0.61 -0.82 0.00 5.51 0.00 -0.60 -1.78 121.76 124.67 3kl9 s ALA 64 Ca -0.09 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3kl9 s ALA 64 Cb -0.16 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3kl9 s ALA 64 CO 0.03 -0.18 0.00 -1.13 0.00 0.00 0.00 175.76 174.48 3kl9 n SER 65 N 3.24 0.48 -3.90 0.00 3.41 -1.06 0.39 113.62 116.18 3kl9 n SER 65 Ca -0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.34 3kl9 n SER 65 Cb 0.57 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 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 2.01 0.07 -0.26 7.33 -3.43 -1.26 0.16 115.29 119.91 3kl9 s HIS 66 Ca 0.00 -0.13 0.22 0.00 -0.80 0.00 0.00 55.06 54.34 3kl9 s HIS 66 Cb 0.00 -0.06 0.05 0.00 -1.43 0.00 0.00 32.58 31.14 3kl9 s HIS 66 CO 0.00 -0.10 1.15 0.52 -2.00 0.00 0.00 174.74 174.30 3kl9 h MET 67 N 5.43 0.00 -7.20 -0.38 2.86 -1.25 -3.40 114.93 110.99 3kl9 h MET 67 Ca -0.27 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 56.88 3kl9 h MET 67 Cb 1.21 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.89 3kl9 h MET 67 CO 0.45 0.05 0.36 0.16 1.06 0.00 0.00 176.91 178.99 3kl9 s ASP 68 N -5.61 6.51 0.16 1.22 -4.77 -1.26 -4.79 116.67 108.13 3kl9 s ASP 68 Ca 0.01 1.48 0.07 0.00 -3.30 0.00 0.00 52.55 50.81 3kl9 s ASP 68 Cb 0.08 -2.48 -0.04 0.00 -1.09 0.00 0.00 42.92 39.40 3kl9 s ASP 68 CO 0.77 -0.64 -0.15 -1.83 0.70 0.00 0.00 175.17 174.02 3kl9 s GLU 69 N -4.34 1.18 0.47 2.11 -1.05 -0.03 -4.03 118.70 113.00 3kl9 s GLU 69 Ca 0.57 -1.41 -0.24 0.00 -0.15 0.00 0.00 54.97 53.74 3kl9 s GLU 69 Cb -0.10 -1.02 -0.07 0.00 -0.44 0.00 0.00 34.13 32.50 3kl9 s GLU 69 CO 0.37 0.18 1.28 0.14 0.95 0.00 0.00 175.26 178.18 3kl9 s VAL 70 N -2.54 2.59 0.00 1.83 -7.23 -1.26 -3.70 120.40 110.09 3kl9 s VAL 70 Ca 0.16 0.47 0.00 0.00 -1.81 0.00 0.00 61.98 60.80 3kl9 s VAL 70 Cb -0.03 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.66 3kl9 s VAL 70 CO 0.05 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 3kl9 n GLY 71 N 0.61 2.06 3.40 2.32 0.00 0.08 -4.59 105.19 109.06 3kl9 n GLY 71 Ca 0.07 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.21 1.70 -0.11 1.61 0.40 0.22 -0.04 117.98 120.55 3kl9 s PHE 72 Ca 0.00 -1.31 -0.08 0.00 -0.60 0.00 0.00 56.93 54.94 3kl9 s PHE 72 Cb 0.00 -0.98 0.04 0.00 0.51 0.00 0.00 43.02 42.58 3kl9 s PHE 72 CO 0.00 -0.41 0.27 1.41 0.70 0.00 0.00 175.22 177.19 3kl9 s MET 73 N -3.79 0.28 0.08 0.44 1.75 -0.29 -0.43 119.30 117.34 3kl9 s MET 73 Ca 0.33 0.46 -0.31 0.00 -1.25 0.00 0.00 55.69 54.92 3kl9 s MET 73 Cb 0.05 0.04 -0.09 0.00 2.84 0.00 0.00 34.83 37.66 3kl9 s MET 73 CO 0.17 -0.09 1.87 0.08 -0.65 0.00 0.00 175.02 176.40 3kl9 s VAL 74 N 0.64 2.80 -0.14 10.11 1.01 -0.62 -0.74 120.40 133.46 3kl9 s VAL 74 Ca -0.04 0.08 0.19 0.00 0.00 0.00 0.00 61.98 62.21 3kl9 s VAL 74 Cb -0.05 -3.05 -0.27 0.00 0.00 0.00 0.00 36.38 33.01 3kl9 s VAL 74 CO -0.04 -0.00 0.27 -1.54 0.00 0.00 0.00 175.10 173.79 3kl9 n SER 75 N 6.51 0.10 -3.52 3.32 3.41 0.07 -0.34 113.62 123.17 3kl9 n SER 75 Ca 0.19 0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.72 3kl9 n SER 75 Cb 0.40 1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 65.50 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 -2.83 0.88 -0.28 4.33 -1.05 -1.15 -4.86 118.70 113.74 3kl9 s GLU 76 Ca -0.09 -0.04 -0.08 0.00 -0.15 0.00 0.00 54.97 54.61 3kl9 s GLU 76 Cb 0.09 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 34.17 3kl9 s GLU 76 CO 0.85 -0.33 0.11 0.42 0.95 0.00 0.00 175.26 177.26 3kl9 s ILE 77 N -2.08 4.44 0.74 1.83 1.01 -1.26 -2.11 121.20 123.76 3kl9 s ILE 77 Ca -0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 3kl9 s ILE 77 Cb -0.01 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.32 3kl9 s ILE 77 CO -0.01 0.19 1.08 -0.54 0.00 0.00 0.00 174.94 175.65 3kl9 s LYS 78 N 1.61 2.56 0.60 2.79 -0.14 -0.87 -4.93 119.74 121.36 3kl9 s LYS 78 Ca 0.05 1.03 0.40 0.00 -1.36 0.00 0.00 55.97 56.09 3kl9 s LYS 78 Cb -0.16 -1.94 2.05 0.00 -1.68 0.00 0.00 37.83 36.10 3kl9 s LYS 78 CO 0.05 -1.39 2.21 -1.35 -0.76 0.00 0.00 175.35 174.11 3kl9 h PRO 79 N -0.94 0.00 -0.03 -1.68 0.11 -1.96 -1.96 132.00 125.54 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 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kl9 h PRO 79 CO 0.54 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 3kl9 n ASP 80 N -3.00 1.05 0.00 -2.05 5.75 -1.26 -1.53 116.55 115.51 3kl9 n ASP 80 Ca -0.02 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 3kl9 n ASP 80 Cb 0.13 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 1.10 0.62 3.05 6.12 0.00 -0.74 -3.83 105.19 111.52 3kl9 n GLY 81 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3kl9 n GLY 81 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kl9 n THR 82 N -2.00 0.00 -4.21 2.61 -2.24 -1.26 -4.60 114.28 102.59 3kl9 n THR 82 Ca 0.00 -0.91 -0.18 0.00 -2.27 0.00 0.00 64.05 60.68 3kl9 n THR 82 Cb 0.00 -1.43 -0.12 0.00 -2.10 0.00 0.00 70.33 66.68 3kl9 n THR 82 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3kl9 s PHE 83 N -3.03 1.17 0.05 4.78 0.08 0.75 -2.06 117.98 119.73 3kl9 s PHE 83 Ca 0.57 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 57.22 3kl9 s PHE 83 Cb -0.02 -0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 3kl9 s PHE 83 CO 0.40 0.04 0.04 1.03 -0.10 0.00 0.00 175.22 176.63 3kl9 s ARG 84 N -1.56 2.82 0.42 0.44 1.81 -0.90 -1.86 118.95 120.13 3kl9 s ARG 84 Ca -0.02 -0.67 0.04 0.00 -1.72 0.00 0.00 55.73 53.37 3kl9 s ARG 84 Cb -0.09 -2.70 -0.05 0.00 -0.45 0.00 0.00 34.95 31.66 3kl9 s ARG 84 CO 0.02 0.59 0.03 0.14 -0.68 0.00 0.00 175.30 175.39 3kl9 s VAL 85 N -1.27 1.49 0.03 3.52 -7.23 -1.26 -0.75 120.40 114.94 3kl9 s VAL 85 Ca 0.25 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.48 3kl9 s VAL 85 Cb -0.12 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 3kl9 s VAL 85 CO 0.17 0.00 -0.16 0.54 -0.31 0.00 0.00 175.10 175.34 3kl9 s VAL 86 N -2.91 1.29 0.26 1.32 0.11 0.08 -4.39 120.40 116.16 3kl9 s VAL 86 Ca 0.26 -1.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.00 3kl9 s VAL 86 Cb 0.07 -1.14 -0.09 0.00 -1.53 0.00 0.00 36.38 33.68 3kl9 s VAL 86 CO 0.13 0.11 1.04 -1.83 -3.33 0.00 0.00 175.10 171.22 3kl9 s GLU 87 N -1.05 4.72 -0.38 1.54 -1.05 -1.26 -1.14 118.70 120.07 3kl9 s GLU 87 Ca 0.04 1.68 -0.04 0.00 -0.15 0.00 0.00 54.97 56.50 3kl9 s GLU 87 Cb -0.08 -3.23 0.09 0.00 -0.44 0.00 0.00 34.13 30.47 3kl9 s GLU 87 CO 0.01 0.32 0.16 0.42 0.95 0.00 0.00 175.26 177.12 3kl9 s ILE 88 N -1.09 3.38 0.00 1.83 1.01 0.95 -4.88 121.20 122.40 3kl9 s ILE 88 Ca 0.44 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 59.33 3kl9 s ILE 88 Cb -0.29 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.00 3kl9 s ILE 88 CO 0.37 -0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.42 3kl9 n GLY 89 N 4.66 0.33 3.56 6.18 0.00 -1.26 -0.74 105.19 117.91 3kl9 n GLY 89 Ca -0.06 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.16 1.63 -0.18 -0.02 0.00 -1.26 -4.88 107.32 101.44 3kl9 s GLY 90 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 44.72 43.79 3kl9 s GLY 90 CO 0.00 1.75 0.01 -0.98 0.00 0.00 0.00 173.10 173.88 3kl9 s TRP 91 N 3.18 3.11 -0.07 1.90 0.52 -1.26 -4.95 118.94 121.36 3kl9 s TRP 91 Ca 0.30 -0.20 -0.30 0.00 0.02 0.00 0.00 56.10 55.92 3kl9 s TRP 91 Cb -0.13 -2.04 -0.05 0.00 -1.15 0.00 0.00 33.47 30.10 3kl9 s TRP 91 CO 0.20 -0.02 1.65 1.21 0.02 0.00 0.00 176.95 180.01 3kl9 s ASN 92 N 0.55 6.63 0.56 2.95 3.84 -1.26 -4.91 114.94 123.30 3kl9 s ASN 92 Ca -0.00 2.17 0.25 0.00 0.21 0.00 0.00 52.86 55.48 3kl9 s ASN 92 Cb -0.14 -2.53 1.49 0.00 -0.55 0.00 0.00 41.25 39.52 3kl9 s ASN 92 CO 0.02 -0.96 2.07 -0.65 -2.79 0.00 0.00 177.10 174.79 3kl9 h PRO 93 N 9.68 0.00 0.00 0.43 0.11 -1.98 -2.29 132.00 137.95 3kl9 h PRO 93 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kl9 h PRO 93 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kl9 h PRO 93 CO 0.96 0.00 0.00 0.52 -0.21 0.00 0.00 178.00 179.27 3kl9 h MET 94 N 0.00 0.00 -0.00 1.05 2.86 -1.91 -3.02 114.93 113.90 3kl9 h MET 94 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3kl9 h MET 94 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3kl9 h MET 94 CO -0.00 0.00 -0.86 1.33 1.06 0.00 0.00 176.91 178.43 3kl9 n VAL 95 N -2.90 0.00 0.07 -2.22 0.24 -0.86 -4.62 118.33 108.04 3kl9 n VAL 95 Ca 0.00 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.34 62.13 3kl9 n VAL 95 Cb 0.24 1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.49 1.43 -3.88 3.34 2.07 -1.63 -3.46 116.25 114.61 3kl9 h VAL 96 Ca 0.00 -2.55 -0.51 0.00 0.82 0.00 0.00 66.70 64.46 3kl9 h VAL 96 Cb 0.55 2.48 0.05 0.00 -1.52 0.00 0.00 31.29 32.85 3kl9 h VAL 96 CO 0.00 0.75 0.56 -0.44 0.02 0.00 0.00 177.57 178.46 3kl9 s SER 97 N -7.05 6.81 -1.13 0.57 0.01 -1.26 -3.89 113.70 107.75 3kl9 s SER 97 Ca -0.05 2.49 -0.10 0.00 1.31 0.00 0.00 55.95 59.60 3kl9 s SER 97 Cb 0.09 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 3kl9 s SER 97 CO 0.86 -0.49 0.84 -1.20 0.41 0.00 0.00 173.24 173.66 3kl9 n SER 98 N 0.67 -5.01 -4.24 2.44 7.64 -0.85 -4.97 113.62 109.30 3kl9 n SER 98 Ca 0.01 -0.84 -0.23 0.00 1.01 0.00 0.00 58.87 58.82 3kl9 n SER 98 Cb 0.44 -4.33 -0.13 0.00 -1.01 0.00 0.00 64.21 59.18 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 -5.30 1.09 0.07 1.43 -1.52 -1.25 -4.91 119.66 109.27 3kl9 s GLN 99 Ca 0.37 -1.04 -0.22 0.00 -1.95 0.00 0.00 55.36 52.52 3kl9 s GLN 99 Cb -0.09 -1.26 -0.06 0.00 -0.22 0.00 0.00 33.01 31.38 3kl9 s GLN 99 CO 0.80 0.30 0.65 1.03 -0.25 0.00 0.00 175.29 177.81 3kl9 s ARG 100 N -1.66 4.35 0.28 2.91 0.52 -1.26 -1.82 118.95 122.27 3kl9 s ARG 100 Ca 0.04 0.87 0.02 0.00 -0.52 0.00 0.00 55.73 56.15 3kl9 s ARG 100 Cb -0.10 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 3kl9 s ARG 100 CO 0.03 0.50 0.13 -0.06 0.02 0.00 0.00 175.30 175.92 3kl9 s PHE 101 N -0.70 1.55 -0.15 -0.53 0.08 0.13 -0.06 117.98 118.29 3kl9 s PHE 101 Ca 0.32 -1.30 0.02 0.00 0.12 0.00 0.00 56.93 56.09 3kl9 s PHE 101 Cb -0.20 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.40 3kl9 s PHE 101 CO 0.21 -0.46 -0.21 0.15 -0.10 0.00 0.00 175.22 174.81 3kl9 s LYS 102 N -3.92 3.05 -0.18 0.44 1.02 0.87 -2.42 119.74 118.59 3kl9 s LYS 102 Ca 0.37 -0.83 -0.15 0.00 0.02 0.00 0.00 55.97 55.37 3kl9 s LYS 102 Cb 0.06 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 3kl9 s LYS 102 CO 0.16 -0.04 0.35 -1.17 -0.92 0.00 0.00 175.35 173.73 3kl9 s LEU 103 N 0.88 4.20 -0.35 3.17 0.20 -0.06 -0.89 118.68 125.84 3kl9 s LEU 103 Ca -0.05 0.53 -0.09 0.00 0.69 0.00 0.00 54.13 55.21 3kl9 s LEU 103 Cb -0.15 -2.46 0.02 0.00 -0.43 0.00 0.00 46.19 43.18 3kl9 s LEU 103 CO -0.03 0.01 0.15 -0.76 -0.29 0.00 0.00 176.35 175.44 3kl9 s LEU 104 N 0.86 4.42 0.62 -0.68 1.02 -0.70 -1.15 118.68 123.07 3kl9 s LEU 104 Ca 0.18 -0.95 -0.14 0.00 0.02 0.00 0.00 54.13 53.24 3kl9 s LEU 104 Cb -0.14 -1.96 -0.02 0.00 0.02 0.00 0.00 46.19 44.09 3kl9 s LEU 104 CO 0.06 -0.32 1.05 -0.89 0.02 0.00 0.00 176.35 176.28 3kl9 s THR 105 N 1.51 3.92 0.36 5.49 2.01 -0.28 -3.85 115.64 124.80 3kl9 s THR 105 Ca 0.01 0.81 0.08 0.00 0.31 0.00 0.00 61.69 62.90 3kl9 s THR 105 Cb -0.19 -3.40 0.13 0.00 0.01 0.00 0.00 72.50 69.05 3kl9 s THR 105 CO 0.05 -0.63 1.86 -0.09 -0.69 0.00 0.00 174.62 175.12 3kl9 h ARG 106 N 0.07 0.29 -0.71 4.92 2.43 -1.89 -2.61 114.38 116.88 3kl9 h ARG 106 Ca -0.46 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3kl9 h ARG 106 Cb 1.21 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3kl9 h ARG 106 CO 0.57 0.46 0.00 -0.40 -1.51 0.00 0.00 179.97 179.09 3kl9 n ASP 107 N -4.22 3.11 0.00 -3.80 5.68 -1.26 -4.92 116.55 111.14 3kl9 n ASP 107 Ca -0.01 -2.38 0.00 0.00 -0.50 0.00 0.00 54.79 51.91 3kl9 n ASP 107 Cb 0.31 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 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 0.46 1.03 3.75 6.12 0.00 -0.98 -5.05 105.19 110.52 3kl9 n GLY 108 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.02 2.93 -0.52 1.61 3.76 -1.26 -4.81 115.29 113.98 3kl9 s HIS 109 Ca 0.00 1.02 -0.04 0.00 -0.15 0.00 0.00 55.06 55.89 3kl9 s HIS 109 Cb 0.00 -3.88 0.14 0.00 1.11 0.00 0.00 32.58 29.95 3kl9 s HIS 109 CO 0.00 -2.82 0.34 -1.21 -0.85 0.00 0.00 174.74 170.21 3kl9 s GLU 110 N -0.67 2.36 -0.22 1.40 2.02 -1.26 -1.12 118.70 121.22 3kl9 s GLU 110 Ca 0.59 -2.11 -0.09 0.00 0.02 0.00 0.00 54.97 53.37 3kl9 s GLU 110 Cb -0.43 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 3kl9 s GLU 110 CO 0.47 -1.14 0.12 0.96 0.02 0.00 0.00 175.26 175.68 3kl9 s ILE 111 N 0.67 5.05 0.10 -1.63 -5.25 -0.30 -4.88 121.20 114.96 3kl9 s ILE 111 Ca 0.12 0.07 -0.31 0.00 -0.99 0.00 0.00 60.65 59.53 3kl9 s ILE 111 Cb -0.22 -3.33 -0.09 0.00 2.95 0.00 0.00 42.46 41.77 3kl9 s ILE 111 CO -0.03 0.39 1.68 -2.84 -1.79 0.00 0.00 174.94 172.34 3kl9 s PRO 112 N 0.86 4.19 -0.03 0.37 0.02 -1.26 -0.88 135.00 138.26 3kl9 s PRO 112 Ca 0.06 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.48 3kl9 s PRO 112 Cb -0.13 -3.52 0.02 0.00 0.02 0.00 0.00 34.50 30.89 3kl9 s PRO 112 CO 0.03 -0.74 -0.03 0.08 -0.33 0.00 0.00 177.00 176.01 3kl9 s VAL 113 N 2.41 0.37 0.30 3.83 1.01 -1.02 -4.45 120.40 122.85 3kl9 s VAL 113 Ca 0.75 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.78 3kl9 s VAL 113 Cb -0.42 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 3kl9 s VAL 113 CO 0.33 0.18 0.01 0.27 0.00 0.00 0.00 175.10 175.89 3kl9 s ILE 114 N 0.87 3.11 0.04 2.22 -4.36 -0.62 0.17 121.20 122.63 3kl9 s ILE 114 Ca -0.10 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 3kl9 s ILE 114 Cb -0.13 -2.81 -0.04 0.00 1.25 0.00 0.00 42.46 40.73 3kl9 s ILE 114 CO -0.01 -0.31 0.14 -0.94 0.24 0.00 0.00 174.94 174.07 3kl9 s SER 115 N -3.70 6.00 0.00 4.36 1.04 -0.75 0.18 113.70 120.82 3kl9 s SER 115 Ca 0.33 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.94 3kl9 s SER 115 Cb -0.04 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.31 3kl9 s SER 115 CO 0.20 0.20 0.01 0.61 0.98 0.00 0.00 173.24 175.24 3kl9 n GLY 116 N 0.59 -0.05 0.00 7.32 0.00 0.55 -2.00 105.19 111.59 3kl9 n GLY 116 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.64 0.00 -3.36 1.61 -0.04 -1.26 -4.18 135.00 126.13 3kl9 n PRO 132 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 3kl9 n PRO 132 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 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 3.55 0.32 0.55 0.00 -1.26 -4.86 121.76 120.06 3kl9 s ALA 133 Ca 0.00 -0.47 0.10 0.00 0.00 0.00 0.00 51.96 51.59 3kl9 s ALA 133 Cb 0.00 -2.66 0.97 0.00 0.00 0.00 0.00 23.12 21.43 3kl9 s ALA 133 CO 0.00 -0.28 1.64 0.82 0.00 0.00 0.00 175.76 177.94 3kl9 h ILE 134 N 5.00 0.24 0.00 0.00 2.04 -1.95 0.41 117.51 123.25 3kl9 h ILE 134 Ca -0.36 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3kl9 h ILE 134 Cb 1.16 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3kl9 h ILE 134 CO 0.73 0.04 -0.03 0.00 0.00 0.00 0.00 178.15 178.88 3kl9 h ALA 135 N 1.86 1.09 -0.00 1.87 0.00 -1.93 -2.56 119.26 119.58 3kl9 h ALA 135 Ca 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.56 3kl9 h ALA 135 Cb 1.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3kl9 h ALA 135 CO -0.67 0.04 -0.71 -0.25 0.00 0.00 0.00 179.25 177.66 3kl9 n ASP 136 N -3.25 1.19 -4.69 0.00 8.00 0.14 -4.63 116.55 113.30 3kl9 n ASP 136 Ca -0.02 -1.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 3kl9 n ASP 136 Cb 0.19 0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 41.92 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 -2.82 4.51 -0.01 0.53 1.01 -0.96 -4.99 121.20 118.47 3kl9 s ILE 137 Ca 0.13 1.80 -0.30 0.00 0.00 0.00 0.00 60.65 62.28 3kl9 s ILE 137 Cb 0.17 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 3kl9 s ILE 137 CO 0.73 0.02 1.21 -0.69 0.00 0.00 0.00 174.94 176.21 3kl9 s VAL 138 N 1.96 4.16 -0.15 2.92 1.01 -1.26 -4.60 120.40 124.43 3kl9 s VAL 138 Ca 0.53 1.52 -0.04 0.00 0.00 0.00 0.00 61.98 63.98 3kl9 s VAL 138 Cb -0.22 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3kl9 s VAL 138 CO 0.21 0.05 -0.01 -0.36 0.00 0.00 0.00 175.10 174.99 3kl9 s PHE 139 N 1.76 3.10 -0.12 5.22 0.40 -0.78 -0.33 117.98 127.23 3kl9 s PHE 139 Ca 0.57 -0.15 -0.00 0.00 -0.60 0.00 0.00 56.93 56.75 3kl9 s PHE 139 Cb -0.27 -1.97 0.03 0.00 0.51 0.00 0.00 43.02 41.32 3kl9 s PHE 139 CO 0.25 0.07 -0.08 0.34 0.70 0.00 0.00 175.22 176.50 3kl9 s ASP 140 N 0.22 2.27 0.00 1.36 3.68 0.13 -0.18 116.67 124.15 3kl9 s ASP 140 Ca -0.00 -0.34 0.24 0.00 2.13 0.00 0.00 52.55 54.57 3kl9 s ASP 140 Cb -0.13 -0.87 0.15 0.00 -1.45 0.00 0.00 42.92 40.61 3kl9 s ASP 140 CO 0.02 -0.12 1.22 0.61 0.13 0.00 0.00 175.17 177.03 3kl9 n GLY 141 N 4.93 0.65 1.85 2.66 0.00 -1.26 -1.59 105.19 112.42 3kl9 n GLY 141 Ca -0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 1.37 0.70 3.86 -0.02 0.00 -1.26 -4.91 105.19 104.93 3kl9 n GLY 142 Ca 0.12 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.03 3.40 0.30 1.61 0.40 -1.26 -5.03 117.98 114.36 3kl9 s PHE 143 Ca 0.09 0.22 0.10 0.00 -0.60 0.00 0.00 56.93 56.73 3kl9 s PHE 143 Cb -0.04 -1.73 0.45 0.00 0.51 0.00 0.00 43.02 42.21 3kl9 s PHE 143 CO 0.12 0.58 1.67 0.00 0.70 0.00 0.00 175.22 178.29 3kl9 h ALA 144 N 3.43 1.09 -2.22 5.36 0.00 -1.92 -3.42 119.26 121.58 3kl9 h ALA 144 Ca -0.47 -0.48 0.09 0.00 0.00 0.00 0.00 54.91 54.06 3kl9 h ALA 144 Cb 1.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3kl9 h ALA 144 CO 0.70 0.66 0.36 -0.40 0.00 0.00 0.00 179.25 180.56 3kl9 n ASP 145 N -3.93 -1.11 -0.09 0.00 3.85 -1.25 -4.64 116.55 109.38 3kl9 n ASP 145 Ca -0.02 -1.60 -0.06 0.00 -0.71 0.00 0.00 54.79 52.40 3kl9 n ASP 145 Cb 0.54 1.81 0.01 0.00 -1.35 0.00 0.00 41.12 42.13 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 0.07 -0.54 0.11 3.64 -1.37 -2.88 116.57 115.60 3kl9 h LYS 146 Ca -0.17 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.27 3kl9 h LYS 146 Cb 0.75 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 3kl9 h LYS 146 CO 0.23 0.04 0.22 0.00 -2.27 0.00 0.00 179.45 177.67 3kl9 h ALA 147 N 1.30 0.69 -0.85 5.00 0.00 -1.91 -0.29 119.26 123.20 3kl9 h ALA 147 Ca 0.16 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kl9 h ALA 147 Cb 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3kl9 h ALA 147 CO -0.29 -0.17 0.49 1.49 0.00 0.00 0.00 179.25 180.77 3kl9 h GLU 148 N 0.42 1.16 -0.53 0.00 4.81 -1.93 0.84 114.58 119.36 3kl9 h GLU 148 Ca 0.26 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3kl9 h GLU 148 Cb 0.26 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3kl9 h GLU 148 CO -0.24 0.84 0.16 0.00 -0.73 0.00 0.00 179.01 179.04 3kl9 h ALA 149 N 1.26 0.69 -0.34 2.92 0.00 -1.08 -2.76 119.26 119.95 3kl9 h ALA 149 Ca 0.30 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3kl9 h ALA 149 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kl9 h ALA 149 CO -0.05 0.36 -0.30 0.93 0.00 0.00 0.00 179.25 180.19 3kl9 h GLU 150 N 0.73 0.73 0.00 0.00 5.08 -0.66 -2.63 114.58 117.84 3kl9 h GLU 150 Ca 0.17 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3kl9 h GLU 150 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kl9 h GLU 150 CO -0.00 0.94 0.00 0.66 -1.00 0.00 0.00 179.01 179.60 3kl9 h SER 151 N 0.62 0.00 -0.39 1.42 4.64 -0.64 0.16 113.55 119.37 3kl9 h SER 151 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3kl9 h SER 151 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3kl9 h SER 151 CO 0.07 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.52 3kl9 n PHE 152 N -2.40 1.30 -0.64 4.77 3.01 -1.00 -4.92 117.46 117.57 3kl9 n PHE 152 Ca 0.00 -0.46 0.00 0.00 1.01 0.00 0.00 57.45 58.00 3kl9 n PHE 152 Cb 0.15 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 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 0.51 1.68 3.74 1.37 0.00 0.57 -4.91 105.19 108.15 3kl9 n GLY 153 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.63 2.81 0.04 -0.61 1.01 -1.14 -4.55 121.20 115.13 3kl9 s ILE 154 Ca 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 3kl9 s ILE 154 Cb 0.00 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 3kl9 s ILE 154 CO 0.00 0.10 0.05 -0.13 0.00 0.00 0.00 174.94 174.96 3kl9 s ARG 155 N -0.20 0.55 0.21 2.79 1.81 -1.26 -4.28 118.95 118.57 3kl9 s ARG 155 Ca 0.59 -0.84 -0.31 0.00 -1.72 0.00 0.00 55.73 53.45 3kl9 s ARG 155 Cb -0.40 0.21 -0.15 0.00 -0.45 0.00 0.00 34.95 34.15 3kl9 s ARG 155 CO 0.41 -0.12 1.13 -2.30 -0.68 0.00 0.00 175.30 173.74 3kl9 n PRO 156 N 0.75 1.29 0.00 3.54 -0.02 -1.26 -2.03 135.00 137.27 3kl9 n PRO 156 Ca -0.19 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3kl9 n PRO 156 Cb 0.58 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 1.80 3.20 3.70 -1.23 0.00 0.54 -5.00 105.19 108.20 3kl9 n GLY 157 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3kl9 n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kl9 n ASP 158 N 0.00 2.63 -4.84 1.61 8.00 -0.86 -4.61 116.55 118.49 3kl9 n ASP 158 Ca 0.00 1.13 -0.35 0.00 0.71 0.00 0.00 54.79 56.28 3kl9 n ASP 158 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 39.54 3kl9 n ASP 158 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kl9 s THR 159 N -1.18 4.75 -0.19 -3.53 -1.32 -1.25 -1.59 115.64 111.33 3kl9 s THR 159 Ca 0.60 0.94 0.00 0.00 -1.21 0.00 0.00 61.69 62.03 3kl9 s THR 159 Cb -0.51 -3.74 0.04 0.00 -1.51 0.00 0.00 72.50 66.78 3kl9 s THR 159 CO 0.59 0.13 -0.09 -0.63 -2.21 0.00 0.00 174.62 172.41 3kl9 s ILE 160 N -1.60 1.50 -0.09 5.08 1.01 0.43 -1.72 121.20 125.81 3kl9 s ILE 160 Ca 0.43 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3kl9 s ILE 160 Cb -0.14 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 3kl9 s ILE 160 CO 0.20 0.17 -0.13 -0.69 0.00 0.00 0.00 174.94 174.49 3kl9 s VAL 161 N 1.46 3.11 0.28 2.92 1.01 -0.07 -0.61 120.40 128.51 3kl9 s VAL 161 Ca -0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 3kl9 s VAL 161 Cb -0.16 -2.26 -0.12 0.00 0.00 0.00 0.00 36.38 33.84 3kl9 s VAL 161 CO -0.08 0.56 1.53 -2.65 0.00 0.00 0.00 175.10 174.46 3kl9 n PRO 162 N 2.84 2.51 -3.51 2.72 -0.02 -1.26 -0.09 135.00 138.19 3kl9 n PRO 162 Ca -0.18 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 3kl9 n PRO 162 Cb 0.52 -2.64 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 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 0.39 5.80 -0.15 2.55 2.15 0.91 -4.76 116.67 123.57 3kl9 s ASP 163 Ca 0.64 -1.90 -0.10 0.00 0.43 0.00 0.00 52.55 51.62 3kl9 s ASP 163 Cb -0.54 -2.05 0.05 0.00 -0.30 0.00 0.00 42.92 40.08 3kl9 s ASP 163 CO 0.50 -0.72 0.38 -0.55 -0.17 0.00 0.00 175.17 174.60 3kl9 s SER 164 N 2.84 -0.44 0.73 -0.34 0.15 -1.26 -4.64 113.70 110.73 3kl9 s SER 164 Ca 0.05 0.80 -0.07 0.00 0.70 0.00 0.00 55.95 57.43 3kl9 s SER 164 Cb -0.27 0.71 0.08 0.00 -1.71 0.00 0.00 66.02 64.83 3kl9 s SER 164 CO -0.00 -0.17 1.05 -0.94 1.20 0.00 0.00 173.24 174.38 3kl9 s SER 165 N 1.04 4.63 -0.18 5.45 1.04 -1.26 -4.39 113.70 120.02 3kl9 s SER 165 Ca -0.07 0.41 -0.07 0.00 0.48 0.00 0.00 55.95 56.70 3kl9 s SER 165 Cb -0.07 -0.99 -0.04 0.00 0.10 0.00 0.00 66.02 65.02 3kl9 s SER 165 CO -0.08 -1.72 0.06 0.00 0.98 0.00 0.00 173.24 172.47 3kl9 s ALA 166 N -3.31 3.39 0.06 5.32 0.00 -1.26 -4.27 121.76 121.69 3kl9 s ALA 166 Ca 0.62 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3kl9 s ALA 166 Cb -0.10 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 3kl9 s ALA 166 CO 0.46 0.16 -0.05 0.96 0.00 0.00 0.00 175.76 177.28 3kl9 s ILE 167 N 0.40 0.43 0.41 0.00 -4.36 0.17 -4.98 121.20 113.27 3kl9 s ILE 167 Ca 0.03 -1.46 -0.23 0.00 -0.26 0.00 0.00 60.65 58.73 3kl9 s ILE 167 Cb -0.12 -1.06 -0.10 0.00 1.25 0.00 0.00 42.46 42.42 3kl9 s ILE 167 CO 0.00 -0.69 0.99 -0.76 0.24 0.00 0.00 174.94 174.72 3kl9 s LEU 168 N -2.29 4.06 0.71 0.37 1.02 -1.26 -0.13 118.68 121.16 3kl9 s LEU 168 Ca -0.01 1.85 -0.11 0.00 0.02 0.00 0.00 54.13 55.87 3kl9 s LEU 168 Cb -0.01 -4.34 0.02 0.00 0.02 0.00 0.00 46.19 41.87 3kl9 s LEU 168 CO -0.04 -0.40 1.10 0.42 0.02 0.00 0.00 176.35 177.45 3kl9 s THR 169 N -1.89 3.46 0.47 5.49 -4.23 -0.21 -4.82 115.64 113.90 3kl9 s THR 169 Ca 0.59 0.47 0.21 0.00 -1.18 0.00 0.00 61.69 61.78 3kl9 s THR 169 Cb -0.16 -3.47 0.39 0.00 1.34 0.00 0.00 72.50 70.61 3kl9 s THR 169 CO 0.20 -0.61 1.92 0.00 -0.54 0.00 0.00 174.62 175.59 3kl9 h ALA 170 N -0.66 2.35 -0.01 3.99 0.00 -1.98 0.13 119.26 123.08 3kl9 h ALA 170 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kl9 h ALA 170 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kl9 h ALA 170 CO 0.64 -0.56 -0.15 0.27 0.00 0.00 0.00 179.25 179.45 3kl9 n ASN 171 N -4.42 1.31 0.00 0.00 0.23 -1.26 -4.95 115.26 106.17 3kl9 n ASN 171 Ca 0.15 -1.19 0.00 0.00 -0.53 0.00 0.00 54.58 53.00 3kl9 n ASN 171 Cb 0.65 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 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 -0.23 -1.22 0.02 -3.83 1.02 0.45 -4.80 120.64 112.04 3kl9 n GLU 172 Ca 0.15 0.31 0.11 0.00 -0.02 0.00 0.00 57.16 57.71 3kl9 n GLU 172 Cb 0.36 -4.28 -0.02 0.00 -0.02 0.00 0.00 31.44 27.48 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 -0.48 0.31 -4.22 3.49 4.76 -1.26 -4.92 118.16 115.83 3kl9 n LYS 173 Ca 0.00 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.25 3kl9 n LYS 173 Cb 0.31 -1.58 -0.11 0.00 -1.84 0.00 0.00 35.03 31.81 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 -3.92 1.80 0.09 4.39 0.01 -1.26 -2.02 114.94 114.03 3kl9 s ASN 174 Ca 0.03 -0.82 0.10 0.00 -0.71 0.00 0.00 52.86 51.46 3kl9 s ASN 174 Cb 0.14 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.73 3kl9 s ASN 174 CO 0.82 -0.19 -0.26 -0.63 -1.51 0.00 0.00 177.10 175.33 3kl9 s ILE 175 N -2.28 2.27 -0.20 0.60 1.01 -0.26 -1.05 121.20 121.30 3kl9 s ILE 175 Ca 0.08 -1.56 -0.02 0.00 0.00 0.00 0.00 60.65 59.15 3kl9 s ILE 175 Cb -0.04 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.47 3kl9 s ILE 175 CO 0.02 0.22 -0.10 -0.63 0.00 0.00 0.00 174.94 174.45 3kl9 s ILE 176 N -0.95 2.93 0.32 2.92 1.01 0.81 -2.55 121.20 125.69 3kl9 s ILE 176 Ca 0.13 -0.65 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 3kl9 s ILE 176 Cb -0.10 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.10 3kl9 s ILE 176 CO 0.05 0.47 0.74 -0.94 0.00 0.00 0.00 174.94 175.25 3kl9 s SER 177 N 1.28 -0.15 0.62 3.58 1.04 -0.76 -0.66 113.70 118.66 3kl9 s SER 177 Ca 0.03 -0.82 -0.09 0.00 0.48 0.00 0.00 55.95 55.55 3kl9 s SER 177 Cb -0.14 0.77 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 3kl9 s SER 177 CO -0.05 -1.47 0.99 -1.59 0.98 0.00 0.00 173.24 172.10 3kl9 s LYS 178 N -3.34 3.23 -1.82 4.02 -2.85 -1.19 -0.19 119.74 117.60 3kl9 s LYS 178 Ca 0.13 0.42 0.00 0.00 -1.00 0.00 0.00 55.97 55.53 3kl9 s LYS 178 Cb -0.05 -2.15 0.00 0.00 -2.06 0.00 0.00 37.83 33.57 3kl9 s LYS 178 CO 0.09 -0.68 0.00 0.00 0.10 0.00 0.00 175.35 174.86 3kl9 n ALA 179 N -2.72 -0.26 -0.32 0.59 0.00 -1.26 -4.80 120.51 111.74 3kl9 n ALA 179 Ca 0.05 0.28 0.31 0.00 0.00 0.00 0.00 53.44 54.08 3kl9 n ALA 179 Cb 0.56 -1.93 0.66 0.00 0.00 0.00 0.00 19.45 18.74 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 0.25 -3.41 0.00 -0.00 -1.92 -0.89 115.95 109.98 3kl9 h TRP 180 Ca -0.35 0.01 -0.69 0.00 -0.00 0.00 0.00 58.89 57.86 3kl9 h TRP 180 Cb 1.28 -0.07 -0.18 0.00 -0.00 0.00 0.00 29.16 30.18 3kl9 h TRP 180 CO 0.58 0.01 -0.09 0.34 -0.00 0.00 0.00 178.44 179.28 3kl9 s ASP 181 N -5.18 6.22 -0.39 2.65 2.15 -1.26 -0.00 116.67 120.85 3kl9 s ASP 181 Ca -0.06 -0.80 0.08 0.00 0.43 0.00 0.00 52.55 52.20 3kl9 s ASP 181 Cb 0.24 -2.25 0.44 0.00 -0.30 0.00 0.00 42.92 41.04 3kl9 s ASP 181 CO 0.80 -0.73 1.09 -3.20 -0.17 0.00 0.00 175.17 172.97 3kl9 n ASN 182 N 5.84 4.03 0.22 -0.34 4.05 -1.11 -4.71 115.26 123.23 3kl9 n ASN 182 Ca -0.07 -3.48 0.14 0.00 0.45 0.00 0.00 54.58 51.62 3kl9 n ASN 182 Cb 0.46 -0.46 0.41 0.00 1.23 0.00 0.00 39.78 41.43 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 2.61 0.00 0.24 1.20 2.47 -0.14 -1.84 114.38 118.91 3kl9 h ARG 183 Ca 0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 3kl9 h ARG 183 Cb 1.06 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.34 3kl9 h ARG 183 CO 0.75 0.00 -0.52 -0.92 0.56 0.00 0.00 179.97 179.84 3kl9 h TYR 184 N 0.00 -1.49 0.00 3.04 5.03 -0.63 -1.11 116.97 121.81 3kl9 h TYR 184 Ca 0.00 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 3kl9 h TYR 184 Cb 0.73 0.62 -0.00 0.00 1.55 0.00 0.00 36.73 39.62 3kl9 h TYR 184 CO 0.00 -0.62 -0.07 0.78 -1.32 0.00 0.00 178.16 176.93 3kl9 h GLY 185 N -0.83 0.00 0.47 1.82 0.00 -1.64 0.15 103.07 103.04 3kl9 h GLY 185 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3kl9 h GLY 185 CO -0.21 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.24 3kl9 h VAL 186 N 0.00 1.36 -0.26 4.60 2.07 -1.15 -2.47 116.25 120.40 3kl9 h VAL 186 Ca -0.00 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 3kl9 h VAL 186 Cb 0.17 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3kl9 h VAL 186 CO 0.01 0.31 -0.07 0.25 0.02 0.00 0.00 177.57 178.09 3kl9 h LEU 187 N -0.56 0.52 -0.57 2.57 6.46 -0.68 -1.15 115.31 121.90 3kl9 h LEU 187 Ca -0.00 -0.37 0.11 0.00 -0.12 0.00 0.00 57.88 57.50 3kl9 h LEU 187 Cb 0.53 -0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 40.21 3kl9 h LEU 187 CO 0.00 0.77 -0.17 -0.03 -0.62 0.00 0.00 178.44 178.39 3kl9 h MET 188 N 0.26 -0.03 -0.18 1.25 4.05 -0.84 0.20 114.93 119.63 3kl9 h MET 188 Ca 0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3kl9 h MET 188 Cb 0.55 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 3kl9 h MET 188 CO 0.03 -0.02 0.12 0.28 0.23 0.00 0.00 176.91 177.54 3kl9 h VAL 189 N -0.03 1.06 -0.84 -5.77 2.07 -1.15 -2.00 116.25 109.58 3kl9 h VAL 189 Ca 0.27 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3kl9 h VAL 189 Cb 0.45 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3kl9 h VAL 189 CO -0.60 0.05 0.50 -1.28 0.02 0.00 0.00 177.57 176.27 3kl9 h SER 190 N 0.23 1.01 0.45 0.57 0.87 -0.00 -2.01 113.55 114.67 3kl9 h SER 190 Ca 0.07 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 3kl9 h SER 190 Cb -0.01 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 3kl9 h SER 190 CO -0.01 0.78 -0.61 -0.33 -0.53 0.00 0.00 176.83 176.13 3kl9 h GLU 191 N 1.16 0.15 -0.23 2.24 4.39 -0.60 -3.11 114.58 118.58 3kl9 h GLU 191 Ca 0.30 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 3kl9 h GLU 191 Cb -0.04 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3kl9 h GLU 191 CO -0.06 0.71 0.08 1.25 -1.16 0.00 0.00 179.01 179.83 3kl9 h LEU 192 N 0.11 0.34 -1.30 1.33 6.46 -0.76 -1.62 115.31 119.87 3kl9 h LEU 192 Ca -0.01 -0.20 0.16 0.00 -0.12 0.00 0.00 57.88 57.72 3kl9 h LEU 192 Cb 1.10 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.87 3kl9 h LEU 192 CO 0.09 0.44 0.59 0.00 -0.62 0.00 0.00 178.44 178.94 3kl9 h ALA 193 N 0.91 1.90 0.14 1.25 0.00 -1.34 -1.43 119.26 120.69 3kl9 h ALA 193 Ca 0.08 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 3kl9 h ALA 193 Cb 0.22 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kl9 h ALA 193 CO -0.00 -0.17 -0.90 1.49 0.00 0.00 0.00 179.25 179.66 3kl9 h GLU 194 N 0.64 0.36 0.00 0.00 4.81 -1.43 -2.64 114.58 116.32 3kl9 h GLU 194 Ca 0.47 -0.58 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 3kl9 h GLU 194 Cb 0.85 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3kl9 h GLU 194 CO -0.22 1.26 -0.17 0.00 -0.73 0.00 0.00 179.01 179.15 3kl9 h ALA 195 N 0.13 1.28 -0.01 2.92 0.00 -1.08 -2.83 119.26 119.67 3kl9 h ALA 195 Ca -0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kl9 h ALA 195 Cb 1.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3kl9 h ALA 195 CO 0.17 0.21 -0.42 1.28 0.00 0.00 0.00 179.25 180.49 3kl9 n LEU 196 N -3.70 1.21 -0.21 0.00 4.32 -0.56 -4.52 117.00 113.54 3kl9 n LEU 196 Ca -0.02 -0.38 0.01 0.00 -0.02 0.00 0.00 56.01 55.61 3kl9 n LEU 196 Cb 0.29 -0.10 0.12 0.00 -1.62 0.00 0.00 43.42 42.11 3kl9 n LEU 196 CO 0.32 0.24 0.96 -1.28 -1.22 0.00 0.00 177.39 176.41 3kl9 h SER 197 N 1.23 0.14 0.00 -1.43 0.87 -1.21 -3.26 113.55 109.90 3kl9 h SER 197 Ca 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3kl9 h SER 197 Cb 0.57 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 3kl9 h SER 197 CO 0.00 0.08 0.00 0.61 -0.53 0.00 0.00 176.83 176.99 3kl9 n GLY 198 N -1.31 -0.74 0.00 5.77 0.00 -1.26 -4.96 105.19 102.70 3kl9 n GLY 198 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3kl9 n GLY 198 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kl9 n GLN 199 N -0.04 0.00 -4.63 1.61 1.13 -1.23 -5.00 117.38 109.21 3kl9 n GLN 199 Ca 0.00 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.73 3kl9 n GLN 199 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.24 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 0.00 2.66 0.26 -1.09 -2.85 -1.26 -4.98 119.74 112.48 3kl9 s LYS 200 Ca 0.00 -0.61 0.10 0.00 -1.00 0.00 0.00 55.97 54.45 3kl9 s LYS 200 Cb 0.00 -2.53 -0.04 0.00 -2.06 0.00 0.00 37.83 33.19 3kl9 s LYS 200 CO 0.00 0.64 -0.02 -0.51 0.10 0.00 0.00 175.35 175.56 3kl9 s LEU 201 N -0.94 3.14 -0.11 2.77 1.43 -1.26 -5.03 118.68 118.68 3kl9 s LEU 201 Ca 0.13 -0.67 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 3kl9 s LEU 201 Cb -0.11 -1.67 0.41 0.00 0.03 0.00 0.00 46.19 44.85 3kl9 s LEU 201 CO 0.03 0.01 1.13 0.61 0.23 0.00 0.00 176.35 178.36 3kl9 n GLY 202 N -0.81 2.19 3.07 -3.19 0.00 -1.26 -4.31 105.19 100.87 3kl9 n GLY 202 Ca -0.07 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.41 0.13 -0.88 1.61 2.20 -1.24 -4.01 114.94 112.33 3kl9 s ASN 203 Ca 0.27 -0.37 -0.25 0.00 -0.94 0.00 0.00 52.86 51.58 3kl9 s ASN 203 Cb 0.21 0.17 0.03 0.00 -2.00 0.00 0.00 41.25 39.66 3kl9 s ASN 203 CO 0.08 -0.37 1.43 -0.70 -2.94 0.00 0.00 177.10 174.60 3kl9 s GLU 204 N -1.64 3.32 -0.18 3.55 2.56 0.74 -4.39 118.70 122.67 3kl9 s GLU 204 Ca -0.13 -0.64 -0.25 0.00 0.00 0.00 0.00 54.97 53.95 3kl9 s GLU 204 Cb -0.07 -4.83 -0.01 0.00 2.00 0.00 0.00 34.13 31.21 3kl9 s GLU 204 CO -0.00 -2.28 0.82 -1.17 -0.56 0.00 0.00 175.26 172.06 3kl9 s LEU 205 N 5.79 4.16 -0.25 2.70 2.96 -0.97 -1.12 118.68 131.96 3kl9 s LEU 205 Ca 0.44 1.14 -0.06 0.00 -0.22 0.00 0.00 54.13 55.43 3kl9 s LEU 205 Cb -0.04 -3.21 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 3kl9 s LEU 205 CO 0.02 -0.41 0.04 -0.31 -1.32 0.00 0.00 176.35 174.37 3kl9 s TYR 206 N 2.23 3.06 -0.11 5.38 1.51 0.64 0.47 117.35 130.53 3kl9 s TYR 206 Ca 0.37 -0.67 -0.00 0.00 -1.01 0.00 0.00 57.07 55.76 3kl9 s TYR 206 Cb -0.16 -2.21 0.02 0.00 -0.11 0.00 0.00 41.96 39.50 3kl9 s TYR 206 CO 0.12 -0.45 -0.08 -1.17 -1.11 0.00 0.00 175.55 172.85 3kl9 s LEU 207 N 1.56 1.23 0.00 -1.29 0.20 0.05 -0.23 118.68 120.20 3kl9 s LEU 207 Ca 0.05 -0.31 0.00 0.00 0.69 0.00 0.00 54.13 54.57 3kl9 s LEU 207 Cb -0.15 -0.85 0.00 0.00 -0.43 0.00 0.00 46.19 44.75 3kl9 s LEU 207 CO 0.02 -0.11 0.00 0.61 -0.29 0.00 0.00 176.35 176.58 3kl9 n GLY 208 N 4.87 1.12 3.03 7.98 0.00 -0.74 0.18 105.19 121.63 3kl9 n GLY 208 Ca -0.13 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.12 0.44 1.61 0.15 -0.35 -2.55 113.70 114.88 3kl9 s SER 209 Ca 0.00 0.22 -0.12 0.00 0.70 0.00 0.00 55.95 56.75 3kl9 s SER 209 Cb 0.00 0.28 -0.07 0.00 -1.71 0.00 0.00 66.02 64.52 3kl9 s SER 209 CO 0.00 -0.09 0.84 0.20 1.20 0.00 0.00 173.24 175.39 3kl9 s ASN 210 N -0.10 6.55 0.25 5.45 0.01 0.12 -2.77 114.94 124.45 3kl9 s ASN 210 Ca -0.02 1.27 -0.09 0.00 -0.71 0.00 0.00 52.86 53.31 3kl9 s ASN 210 Cb -0.02 -2.38 -0.07 0.00 0.41 0.00 0.00 41.25 39.19 3kl9 s ASN 210 CO 0.00 -0.46 0.57 0.54 -1.51 0.00 0.00 177.10 176.24 3kl9 s VAL 211 N -2.45 4.92 -1.46 1.60 0.11 -1.26 -0.76 120.40 121.10 3kl9 s VAL 211 Ca 0.54 0.46 -0.09 0.00 -2.93 0.00 0.00 61.98 59.96 3kl9 s VAL 211 Cb -0.10 -3.63 0.06 0.00 -1.53 0.00 0.00 36.38 31.17 3kl9 s VAL 211 CO 0.31 -0.12 0.84 0.00 -3.33 0.00 0.00 175.10 172.80 3kl9 n GLN 212 N -0.28 -5.04 -0.12 1.54 6.02 -1.26 -1.38 117.38 116.86 3kl9 n GLN 212 Ca 0.01 0.58 -0.13 0.00 -0.01 0.00 0.00 57.00 57.45 3kl9 n GLN 212 Cb 0.53 -5.29 -0.03 0.00 1.02 0.00 0.00 30.24 26.47 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 -1.97 0.83 -0.23 -1.09 4.22 -1.91 -1.38 114.58 113.06 3kl9 h GLU 213 Ca -0.59 -0.40 -0.01 0.00 0.08 0.00 0.00 59.36 58.43 3kl9 h GLU 213 Cb 1.37 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 3kl9 h GLU 213 CO 0.64 1.04 0.10 0.93 -2.18 0.00 0.00 179.01 179.55 3kl9 h GLU 214 N 0.63 0.31 -0.72 1.92 4.39 -1.90 0.33 114.58 119.54 3kl9 h GLU 214 Ca 0.07 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3kl9 h GLU 214 Cb 0.84 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3kl9 h GLU 214 CO 0.07 0.25 0.00 1.33 -1.16 0.00 0.00 179.01 179.50 3kl9 n VAL 215 N -4.45 1.56 0.00 3.13 0.24 -1.25 -4.34 118.33 113.21 3kl9 n VAL 215 Ca 0.00 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 3kl9 n VAL 215 Cb 0.11 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 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 0.47 1.29 3.81 7.63 0.00 -0.91 -4.82 105.19 112.67 3kl9 n GLY 216 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.83 -0.07 0.99 4.77 0.11 -4.92 117.00 115.05 3kl9 n LEU 217 Ca 0.00 -0.71 -0.14 0.00 -0.03 0.00 0.00 56.01 55.14 3kl9 n LEU 217 Cb 0.00 -2.71 -0.06 0.00 -2.33 0.00 0.00 43.42 38.32 3kl9 n LEU 217 CO 0.00 0.53 0.52 0.03 -1.33 0.00 0.00 177.39 177.14 3kl9 h ARG 218 N -2.28 0.57 -0.07 3.23 3.08 -1.45 -3.03 114.38 114.43 3kl9 h ARG 218 Ca -0.58 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.04 3kl9 h ARG 218 Cb 1.37 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.44 3kl9 h ARG 218 CO 0.64 0.95 -0.35 0.78 -1.07 0.00 0.00 179.97 180.91 3kl9 h GLY 219 N 0.25 0.15 1.76 0.04 0.00 -1.34 -2.76 103.07 101.17 3kl9 h GLY 219 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.25 3kl9 h GLY 219 CO 0.07 0.12 0.09 0.00 0.00 0.00 0.00 176.54 176.82 3kl9 h ALA 220 N 1.52 1.90 -0.43 3.60 0.00 -1.72 -1.22 119.26 122.90 3kl9 h ALA 220 Ca 0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3kl9 h ALA 220 Cb 0.69 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kl9 h ALA 220 CO 0.05 -0.15 -0.06 0.45 0.00 0.00 0.00 179.25 179.55 3kl9 h HIS 221 N 0.00 0.89 0.05 0.00 -0.00 -1.52 -3.18 115.15 111.38 3kl9 h HIS 221 Ca 0.05 -0.18 -0.16 0.00 -0.00 0.00 0.00 60.37 60.08 3kl9 h HIS 221 Cb 0.23 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3kl9 h HIS 221 CO 0.00 0.89 -0.85 1.79 -0.00 0.00 0.00 177.93 179.76 3kl9 h THR 222 N 0.63 1.31 -0.25 2.45 1.35 -1.34 -2.94 112.91 114.11 3kl9 h THR 222 Ca 0.12 -2.34 0.01 0.00 -0.55 0.00 0.00 66.41 63.64 3kl9 h THR 222 Cb 0.57 2.87 -0.02 0.00 -1.73 0.00 0.00 68.15 69.84 3kl9 h THR 222 CO 0.03 0.57 0.14 0.77 -0.25 0.00 0.00 175.52 176.79 3kl9 h SER 223 N -0.72 0.23 -0.92 5.36 4.64 -1.54 0.59 113.55 121.19 3kl9 h SER 223 Ca -0.20 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3kl9 h SER 223 Cb 1.38 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 63.38 3kl9 h SER 223 CO -0.02 0.17 0.57 0.74 -0.87 0.00 0.00 176.83 177.42 3kl9 h THR 224 N 0.30 1.25 -0.45 2.95 2.02 -1.68 0.12 112.91 117.42 3kl9 h THR 224 Ca 0.10 -0.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 3kl9 h THR 224 Cb 0.00 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 3kl9 h THR 224 CO -0.05 0.26 -0.11 0.74 0.37 0.00 0.00 175.52 176.73 3kl9 h THR 225 N 1.27 1.27 0.32 3.16 2.02 -1.30 -2.86 112.91 116.79 3kl9 h THR 225 Ca 0.33 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 3kl9 h THR 225 Cb -0.08 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3kl9 h THR 225 CO -0.07 0.42 -0.15 0.50 0.37 0.00 0.00 175.52 176.59 3kl9 h LYS 226 N 0.70 -0.41 -0.63 6.66 3.64 0.06 -3.29 116.57 123.30 3kl9 h LYS 226 Ca 0.11 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kl9 h LYS 226 Cb 0.66 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3kl9 h LYS 226 CO 0.05 -0.18 0.00 1.19 -2.27 0.00 0.00 179.45 178.24 3kl9 n PHE 227 N -5.21 1.24 -3.80 1.91 3.01 0.33 -4.98 117.46 109.96 3kl9 n PHE 227 Ca -0.10 -0.50 -0.23 0.00 1.01 0.00 0.00 57.45 57.63 3kl9 n PHE 227 Cb 0.23 -0.21 0.01 0.00 -0.01 0.00 0.00 39.48 39.50 3kl9 n PHE 227 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3kl9 n ASP 228 N 0.93 -2.16 -4.85 4.37 4.64 -1.08 -4.90 116.55 113.51 3kl9 n ASP 228 Ca 0.22 -0.65 -0.31 0.00 -1.38 0.00 0.00 54.79 52.66 3kl9 n ASP 228 Cb 0.76 -0.81 0.04 0.00 -1.04 0.00 0.00 41.12 40.06 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 -5.87 3.16 0.07 -0.67 0.04 -1.26 -4.81 135.00 125.66 3kl9 s PRO 229 Ca 0.22 0.80 0.19 0.00 0.04 0.00 0.00 61.00 62.25 3kl9 s PRO 229 Cb -0.12 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 3kl9 s PRO 229 CO 0.50 -0.90 0.78 0.39 0.04 0.00 0.00 177.00 177.81 3kl9 n GLU 230 N -2.98 0.63 -3.80 4.56 1.02 0.81 -4.84 120.64 116.04 3kl9 n GLU 230 Ca 0.07 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.21 3kl9 n GLU 230 Cb 0.54 -1.76 -0.10 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 -3.09 0.04 -0.07 2.62 1.01 -1.21 -4.05 120.40 115.65 3kl9 s VAL 231 Ca -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3kl9 s VAL 231 Cb 0.09 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 36.05 3kl9 s VAL 231 CO 0.82 -0.16 -0.12 0.12 0.00 0.00 0.00 175.10 175.76 3kl9 s PHE 232 N -0.62 1.51 -0.48 5.22 2.19 -0.60 -2.03 117.98 123.17 3kl9 s PHE 232 Ca -0.07 -0.59 0.01 0.00 0.33 0.00 0.00 56.93 56.61 3kl9 s PHE 232 Cb -0.04 -1.12 0.13 0.00 -1.31 0.00 0.00 43.02 40.67 3kl9 s PHE 232 CO 0.02 -0.32 0.25 -0.51 1.83 0.00 0.00 175.22 176.48 3kl9 s LEU 233 N 0.79 4.80 0.46 6.12 1.02 0.64 -2.35 118.68 130.16 3kl9 s LEU 233 Ca -0.12 -2.61 -0.23 0.00 0.02 0.00 0.00 54.13 51.18 3kl9 s LEU 233 Cb -0.15 -1.72 -0.07 0.00 0.02 0.00 0.00 46.19 44.26 3kl9 s LEU 233 CO 0.02 -0.35 1.20 0.00 0.02 0.00 0.00 176.35 177.24 3kl9 s ALA 234 N 0.28 2.99 -0.13 4.21 0.00 -0.22 -1.56 121.76 127.33 3kl9 s ALA 234 Ca 0.14 1.00 -0.00 0.00 0.00 0.00 0.00 51.96 53.10 3kl9 s ALA 234 Cb -0.22 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.51 3kl9 s ALA 234 CO -0.03 -0.74 -0.10 0.08 0.00 0.00 0.00 175.76 174.96 3kl9 s VAL 235 N -1.49 1.26 -0.13 0.00 1.01 0.16 0.32 120.40 121.53 3kl9 s VAL 235 Ca 0.64 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 3kl9 s VAL 235 Cb -0.31 -1.22 0.12 0.00 0.00 0.00 0.00 36.38 34.97 3kl9 s VAL 235 CO 0.37 0.41 0.98 -0.62 0.00 0.00 0.00 175.10 176.24 3kl9 s ASP 236 N 1.58 -0.36 0.31 3.32 3.68 -1.23 -4.11 116.67 119.87 3kl9 s ASP 236 Ca 0.04 0.30 0.07 0.00 2.13 0.00 0.00 52.55 55.09 3kl9 s ASP 236 Cb -0.13 0.31 -0.03 0.00 -1.45 0.00 0.00 42.92 41.63 3kl9 s ASP 236 CO -0.09 -0.40 0.30 0.00 0.13 0.00 0.00 175.17 175.11 3kl9 s SER 238 N -3.99 0.34 0.18 0.00 0.01 0.16 -4.93 113.70 105.48 3kl9 s SER 238 Ca 0.39 -0.77 -0.33 0.00 1.31 0.00 0.00 55.95 56.56 3kl9 s SER 238 Cb -0.07 0.20 -0.14 0.00 0.21 0.00 0.00 66.02 66.21 3kl9 s SER 238 CO 0.27 -0.53 1.42 -2.65 0.41 0.00 0.00 173.24 172.16 3kl9 n PRO 239 N 0.55 1.80 -3.31 12.44 -0.02 -1.26 -1.32 135.00 143.88 3kl9 n PRO 239 Ca -0.17 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 3kl9 n PRO 239 Cb 0.59 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.35 3.52 -2.45 3.55 0.00 0.18 -4.63 121.76 122.28 3kl9 s ALA 240 Ca 0.75 -0.35 0.24 0.00 0.00 0.00 0.00 51.96 52.60 3kl9 s ALA 240 Cb -0.74 -2.69 0.27 0.00 0.00 0.00 0.00 23.12 19.96 3kl9 s ALA 240 CO 0.45 -0.22 1.28 0.41 0.00 0.00 0.00 175.76 177.68 3kl9 n GLY 241 N 3.64 0.35 0.42 0.00 0.00 -0.69 -4.61 105.19 104.30 3kl9 n GLY 241 Ca -0.07 -0.62 0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 3.21 0.35 1.06 1.61 3.04 -1.24 0.22 116.42 124.67 3kl9 h ASP 242 Ca 0.00 0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 3kl9 h ASP 242 Cb 0.80 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.20 3kl9 h ASP 242 CO 0.00 -0.13 -0.65 1.62 -2.04 0.00 0.00 179.24 178.04 3kl9 h VAL 243 N 0.20 0.00 -0.43 4.15 3.04 -1.84 -3.04 116.25 118.32 3kl9 h VAL 243 Ca 0.76 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 3kl9 h VAL 243 Cb 2.14 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.75 3kl9 h VAL 243 CO -0.45 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 174.89 3kl9 n TYR 244 N -2.41 1.07 -0.11 3.17 4.02 0.62 -4.94 117.16 118.58 3kl9 n TYR 244 Ca 0.02 -0.68 0.00 0.00 -0.01 0.00 0.00 57.90 57.23 3kl9 n TYR 244 Cb 0.48 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 3kl9 n TYR 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kl9 n GLY 245 N 0.36 2.61 3.44 2.72 0.00 -0.90 -5.02 105.19 108.40 3kl9 n GLY 245 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.04 3.94 -0.02 0.00 -0.21 -4.91 105.19 99.94 3kl9 n GLY 246 Ca 0.00 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 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 -5.53 3.12 0.00 1.61 -2.07 -1.26 -3.09 119.66 112.45 3kl9 s GLN 247 Ca 0.68 -0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.86 3kl9 s GLN 247 Cb -0.04 -2.52 0.00 0.00 -1.09 0.00 0.00 33.01 29.36 3kl9 s GLN 247 CO 0.50 -0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.60 3kl9 n GLY 248 N -2.13 -0.84 3.14 2.60 0.00 -1.26 -1.70 105.19 104.99 3kl9 n GLY 248 Ca 0.01 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.92 3.02 -0.04 1.61 2.20 -1.26 -1.66 119.74 122.69 3kl9 s LYS 249 Ca 0.00 -0.82 -0.35 0.00 -0.36 0.00 0.00 55.97 54.44 3kl9 s LYS 249 Cb 0.00 -2.60 -0.13 0.00 -1.51 0.00 0.00 37.83 33.59 3kl9 s LYS 249 CO 0.00 -0.20 1.73 -0.89 -0.36 0.00 0.00 175.35 175.63 3kl9 n ILE 250 N 4.61 0.33 -0.02 5.43 -0.00 -1.26 -2.07 119.36 126.38 3kl9 n ILE 250 Ca -0.21 -0.06 0.00 0.00 -0.00 0.00 0.00 62.75 62.48 3kl9 n ILE 250 Cb 0.50 -1.58 0.00 0.00 -0.00 0.00 0.00 39.64 38.56 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 3.94 0.32 1.66 7.39 0.00 -1.26 -4.95 105.19 112.28 3kl9 n GLY 251 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 4.96 0.00 1.61 9.92 -0.88 -4.90 116.55 127.26 3kl9 n ASP 252 Ca 0.00 -2.60 0.00 0.00 -0.53 0.00 0.00 54.79 51.66 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 0.93 -1.74 3.78 0.44 0.00 -1.26 -3.69 105.19 103.65 3kl9 n GLY 253 Ca 0.26 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 3.27 -0.18 2.61 -1.32 -0.25 -4.54 115.64 115.24 3kl9 s THR 254 Ca 0.00 0.41 -0.09 0.00 -1.21 0.00 0.00 61.69 60.81 3kl9 s THR 254 Cb 0.00 -3.05 -0.05 0.00 -1.51 0.00 0.00 72.50 67.90 3kl9 s THR 254 CO 0.00 -0.54 0.12 -0.76 -2.21 0.00 0.00 174.62 171.23 3kl9 s LEU 255 N -5.85 4.17 -0.68 9.08 1.43 -0.04 0.19 118.68 126.98 3kl9 s LEU 255 Ca 0.61 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.78 3kl9 s LEU 255 Cb -0.16 -2.06 0.12 0.00 0.03 0.00 0.00 46.19 44.13 3kl9 s LEU 255 CO 0.55 0.24 0.78 -0.63 0.23 0.00 0.00 176.35 177.52 3kl9 s ILE 256 N 0.01 4.91 -1.11 -0.59 -1.09 -0.43 -4.12 121.20 118.78 3kl9 s ILE 256 Ca 0.09 -1.29 -0.20 0.00 -2.23 0.00 0.00 60.65 57.03 3kl9 s ILE 256 Cb -0.11 -4.53 0.08 0.00 -1.58 0.00 0.00 42.46 36.31 3kl9 s ILE 256 CO -0.00 -1.18 1.49 -0.60 -1.23 0.00 0.00 174.94 173.42 3kl9 s ARG 257 N 2.34 3.77 0.27 2.79 3.52 -1.26 -1.91 118.95 128.47 3kl9 s ARG 257 Ca 0.16 -1.66 0.12 0.00 -0.13 0.00 0.00 55.73 54.22 3kl9 s ARG 257 Cb -0.19 -5.31 0.30 0.00 -1.56 0.00 0.00 34.95 28.18 3kl9 s ARG 257 CO 0.02 -2.11 1.56 0.27 -0.81 0.00 0.00 175.30 174.23 3kl9 h PHE 258 N 8.66 0.00 -3.26 5.12 -5.15 -1.94 -3.40 116.94 116.97 3kl9 h PHE 258 Ca 0.28 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.88 3kl9 h PHE 258 Cb 0.95 0.00 -0.25 0.00 0.22 0.00 0.00 35.95 36.87 3kl9 h PHE 258 CO 1.29 0.62 -0.47 -0.47 -2.00 0.00 0.00 178.31 177.28 3kl9 s TYR 259 N -3.35 -0.19 0.14 6.09 6.14 -1.26 -1.82 117.35 123.09 3kl9 s TYR 259 Ca 0.00 0.45 -0.11 0.00 0.64 0.00 0.00 57.07 58.05 3kl9 s TYR 259 Cb 0.11 0.06 0.01 0.00 0.42 0.00 0.00 41.96 42.56 3kl9 s TYR 259 CO 0.75 -0.14 0.30 0.16 0.64 0.00 0.00 175.55 177.26 3kl9 s ASP 260 N -0.13 -0.02 0.03 4.32 1.47 -0.71 -0.16 116.67 121.46 3kl9 s ASP 260 Ca -0.02 -0.66 0.02 0.00 1.18 0.00 0.00 52.55 53.06 3kl9 s ASP 260 Cb -0.02 0.43 0.09 0.00 -0.34 0.00 0.00 42.92 43.08 3kl9 s ASP 260 CO 0.01 -0.86 0.99 -2.65 0.68 0.00 0.00 175.17 173.34 3kl9 n PRO 261 N -0.18 0.01 0.00 2.11 -0.02 -1.26 -1.69 135.00 133.97 3kl9 n PRO 261 Ca -0.11 0.45 0.02 0.00 -2.02 0.00 0.00 63.50 61.83 3kl9 n PRO 261 Cb 0.63 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3kl9 n PRO 261 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kl9 n GLY 262 N -1.42 -0.37 3.49 -1.23 0.00 -1.26 -5.05 105.19 99.36 3kl9 n GLY 262 Ca -0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.79 -0.87 -0.15 1.61 5.65 -0.68 -4.54 115.29 115.51 3kl9 s HIS 263 Ca 0.04 1.79 -0.07 0.00 0.25 0.00 0.00 55.06 57.07 3kl9 s HIS 263 Cb 0.04 0.48 -0.04 0.00 -1.18 0.00 0.00 32.58 31.87 3kl9 s HIS 263 CO 0.10 -0.45 0.08 -0.51 -0.65 0.00 0.00 174.74 173.32 3kl9 s LEU 264 N 1.48 4.00 -0.26 8.88 1.43 -1.26 -1.75 118.68 131.20 3kl9 s LEU 264 Ca -0.09 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 3kl9 s LEU 264 Cb -0.06 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 3kl9 s LEU 264 CO -0.16 0.27 1.27 -0.22 0.23 0.00 0.00 176.35 177.73 3kl9 s LEU 265 N -0.19 3.97 0.42 1.79 2.96 -0.76 -4.93 118.68 121.95 3kl9 s LEU 265 Ca 0.09 1.33 -0.23 0.00 -0.22 0.00 0.00 54.13 55.09 3kl9 s LEU 265 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 3kl9 s LEU 265 CO 0.01 -0.97 1.08 -0.76 -1.32 0.00 0.00 176.35 174.39 3kl9 s LEU 266 N 4.05 4.09 0.44 -0.68 1.43 -1.26 -4.84 118.68 121.90 3kl9 s LEU 266 Ca 0.55 2.10 0.16 0.00 -1.03 0.00 0.00 54.13 55.90 3kl9 s LEU 266 Cb -0.18 -4.22 1.07 0.00 0.03 0.00 0.00 46.19 42.90 3kl9 s LEU 266 CO 0.20 -0.61 1.94 -0.65 0.23 0.00 0.00 176.35 177.45 3kl9 h PRO 267 N 2.33 0.37 0.36 1.29 0.11 -1.95 0.84 132.00 135.35 3kl9 h PRO 267 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3kl9 h PRO 267 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kl9 h PRO 267 CO 0.62 0.25 -0.17 0.78 -0.21 0.00 0.00 178.00 179.26 3kl9 h GLY 268 N 0.38 -0.50 1.47 -0.55 0.00 -1.88 -1.62 103.07 100.37 3kl9 h GLY 268 Ca 0.34 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.87 3kl9 h GLY 268 CO -0.10 -0.18 0.32 1.98 0.00 0.00 0.00 176.54 178.56 3kl9 h MET 269 N -0.70 0.56 -0.33 4.80 -1.53 -1.63 -2.37 114.93 113.73 3kl9 h MET 269 Ca -0.05 -0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.12 3kl9 h MET 269 Cb 0.49 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 3kl9 h MET 269 CO 0.08 0.37 0.00 -0.22 0.14 0.00 0.00 176.91 177.28 3kl9 h LYS 270 N 0.58 0.58 -0.07 0.39 3.64 -0.66 -1.01 116.57 120.01 3kl9 h LYS 270 Ca 0.18 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3kl9 h LYS 270 Cb 0.03 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3kl9 h LYS 270 CO -0.04 0.71 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.26 3kl9 h ASP 271 N 0.39 -0.44 -0.69 4.20 3.32 -1.08 -1.38 116.42 120.74 3kl9 h ASP 271 Ca 0.09 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.26 3kl9 h ASP 271 Cb 0.45 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 3kl9 h ASP 271 CO 0.02 -0.19 0.42 0.15 -1.72 0.00 0.00 179.24 177.91 3kl9 h PHE 272 N -0.20 0.78 0.06 4.55 3.57 -1.21 0.71 116.94 125.18 3kl9 h PHE 272 Ca 0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3kl9 h PHE 272 Cb 0.31 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3kl9 h PHE 272 CO -0.23 0.43 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.18 3kl9 h LEU 273 N 0.81 -0.06 0.01 0.59 3.38 -1.02 -1.31 115.31 117.70 3kl9 h LEU 273 Ca 0.28 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kl9 h LEU 273 Cb 0.06 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kl9 h LEU 273 CO -0.13 0.17 -0.00 -0.07 0.09 0.00 0.00 178.44 178.50 3kl9 h LEU 274 N -0.30 -0.01 -0.08 1.67 3.38 -0.98 -1.84 115.31 117.14 3kl9 h LEU 274 Ca -0.01 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kl9 h LEU 274 Cb 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3kl9 h LEU 274 CO 0.01 0.07 -0.19 0.74 0.09 0.00 0.00 178.44 179.15 3kl9 h THR 275 N -0.09 0.52 -0.55 0.22 2.02 -0.91 -1.52 112.91 112.61 3kl9 h THR 275 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3kl9 h THR 275 Cb 0.08 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 3kl9 h THR 275 CO 0.00 0.00 0.25 0.74 0.37 0.00 0.00 175.52 176.88 3kl9 h THR 276 N -0.27 0.88 -0.64 3.16 2.02 -1.16 -1.73 112.91 115.18 3kl9 h THR 276 Ca 0.08 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3kl9 h THR 276 Cb 0.39 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3kl9 h THR 276 CO -0.24 0.08 0.29 0.00 0.37 0.00 0.00 175.52 176.02 3kl9 h ALA 277 N 1.33 1.30 -0.24 6.16 0.00 -0.97 0.76 119.26 127.60 3kl9 h ALA 277 Ca 0.26 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3kl9 h ALA 277 Cb 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kl9 h ALA 277 CO -0.22 0.53 -0.24 1.49 0.00 0.00 0.00 179.25 180.81 3kl9 h GLU 278 N 0.91 0.59 -0.24 0.00 4.57 -0.89 0.10 114.58 119.62 3kl9 h GLU 278 Ca 0.22 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 3kl9 h GLU 278 Cb 0.13 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3kl9 h GLU 278 CO -0.03 0.91 -0.28 0.93 -1.18 0.00 0.00 179.01 179.36 3kl9 h GLU 279 N 0.30 0.48 -0.22 1.92 5.08 -1.05 -3.10 114.58 117.98 3kl9 h GLU 279 Ca 0.04 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3kl9 h GLU 279 Cb 0.80 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3kl9 h GLU 279 CO 0.06 0.72 0.00 0.00 -1.00 0.00 0.00 179.01 178.79 3kl9 n ALA 280 N -2.49 2.48 -3.49 3.43 0.00 0.24 -4.96 120.51 115.72 3kl9 n ALA 280 Ca -0.01 -0.69 -0.18 0.00 0.00 0.00 0.00 53.44 52.56 3kl9 n ALA 280 Cb 0.42 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.94 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 1.28 -0.45 3.79 0.00 0.00 -0.78 -4.99 105.19 104.04 3kl9 n GLY 281 Ca 0.17 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 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 5.30 -0.26 -0.61 -1.09 -0.05 -5.05 121.20 115.98 3kl9 s ILE 282 Ca 0.07 0.51 -0.26 0.00 -2.23 0.00 0.00 60.65 58.73 3kl9 s ILE 282 Cb -0.01 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 3kl9 s ILE 282 CO 0.76 0.49 0.93 -0.75 -1.23 0.00 0.00 174.94 175.14 3kl9 s LYS 283 N -0.23 4.14 0.09 2.79 2.20 -1.26 -4.82 119.74 122.65 3kl9 s LYS 283 Ca 0.17 1.02 0.02 0.00 -0.36 0.00 0.00 55.97 56.82 3kl9 s LYS 283 Cb -0.13 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 3kl9 s LYS 283 CO 0.06 -0.65 -0.07 1.52 -0.36 0.00 0.00 175.35 175.85 3kl9 s TYR 284 N 3.12 0.85 -0.01 4.03 -0.85 -1.26 -1.09 117.35 122.14 3kl9 s TYR 284 Ca 0.39 -0.86 0.03 0.00 -0.52 0.00 0.00 57.07 56.11 3kl9 s TYR 284 Cb -0.14 -0.50 -0.00 0.00 0.38 0.00 0.00 41.96 41.70 3kl9 s TYR 284 CO 0.09 -0.15 -0.08 1.14 -1.52 0.00 0.00 175.55 175.03 3kl9 s GLN 285 N -3.50 0.77 0.41 -3.49 -2.07 0.13 -4.84 119.66 107.06 3kl9 s GLN 285 Ca 0.08 -0.29 -0.26 0.00 -1.82 0.00 0.00 55.36 53.07 3kl9 s GLN 285 Cb 0.03 -0.74 -0.09 0.00 -1.09 0.00 0.00 33.01 31.13 3kl9 s GLN 285 CO -0.04 0.15 1.37 0.71 -1.32 0.00 0.00 175.29 176.16 3kl9 s TYR 286 N -0.04 2.68 -0.10 9.60 1.51 -1.26 -1.32 117.35 128.42 3kl9 s TYR 286 Ca 0.01 1.33 -0.04 0.00 -1.01 0.00 0.00 57.07 57.36 3kl9 s TYR 286 Cb -0.05 -3.81 0.05 0.00 -0.11 0.00 0.00 41.96 38.04 3kl9 s TYR 286 CO -0.00 -2.49 0.19 -0.47 -1.11 0.00 0.00 175.55 171.67 3kl9 s TYR 287 N -1.21 -0.26 -0.49 2.71 5.04 -0.80 -4.73 117.35 117.61 3kl9 s TYR 287 Ca 0.57 0.71 -0.16 0.00 -2.44 0.00 0.00 57.07 55.75 3kl9 s TYR 287 Cb -0.41 -0.14 0.09 0.00 0.35 0.00 0.00 41.96 41.85 3kl9 s TYR 287 CO 0.54 -0.27 0.43 0.00 -1.34 0.00 0.00 175.55 174.91 3kl9 s GLY 289 N 2.92 2.87 0.00 0.00 0.00 0.77 -4.95 107.32 108.93 3kl9 s GLY 289 Ca 0.04 1.02 0.09 0.00 0.00 0.00 0.00 44.72 45.86 3kl9 s GLY 289 CO 0.05 1.54 1.01 0.28 0.00 0.00 0.00 173.10 175.98 3kl9 n LYS 290 N 0.02 1.60 -4.39 2.90 5.02 -1.26 -4.28 118.16 117.76 3kl9 n LYS 290 Ca 0.05 -1.51 -0.21 0.00 -2.02 0.00 0.00 58.31 54.62 3kl9 n LYS 290 Cb 0.46 -1.20 -0.09 0.00 -0.02 0.00 0.00 35.03 34.18 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 -0.89 2.22 0.36 0.72 0.00 -1.26 -4.82 107.32 103.64 3kl9 s GLY 291 Ca 0.15 -1.66 -0.01 0.00 0.00 0.00 0.00 44.72 43.20 3kl9 s GLY 291 CO 0.12 -1.67 0.58 -0.32 0.00 0.00 0.00 173.10 171.81 3kl9 s GLY 292 N -3.45 1.41 0.31 0.20 0.00 -1.26 -4.47 107.32 100.07 3kl9 s GLY 292 Ca 0.33 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 44.25 3kl9 s GLY 292 CO 0.17 -0.75 0.14 -0.51 0.00 0.00 0.00 173.10 172.15 3kl9 s THR 293 N -2.34 0.44 0.42 0.90 -4.23 -1.26 -5.05 115.64 104.52 3kl9 s THR 293 Ca 0.41 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.09 3kl9 s THR 293 Cb -0.10 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.59 3kl9 s THR 293 CO 0.37 0.00 1.89 0.44 -0.54 0.00 0.00 174.62 176.78 3kl9 h ASP 294 N 2.18 0.39 -1.03 3.99 3.32 -1.95 0.80 116.42 124.12 3kl9 h ASP 294 Ca -0.35 0.03 0.26 0.00 0.02 0.00 0.00 57.03 57.00 3kl9 h ASP 294 Cb 1.25 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.66 3kl9 h ASP 294 CO 0.54 0.18 0.66 0.00 -1.72 0.00 0.00 179.24 178.90 3kl9 h ALA 295 N 1.63 2.15 -0.51 3.45 0.00 -1.96 -0.04 119.26 123.97 3kl9 h ALA 295 Ca 0.42 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.49 3kl9 h ALA 295 Cb 1.01 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 3kl9 h ALA 295 CO -0.14 -0.56 0.04 0.78 0.00 0.00 0.00 179.25 179.37 3kl9 h GLY 296 N 0.43 0.57 0.54 0.00 0.00 -1.07 -1.84 103.07 101.70 3kl9 h GLY 296 Ca 0.60 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.86 3kl9 h GLY 296 CO -0.33 -0.12 -0.44 0.00 0.00 0.00 0.00 176.54 175.65 3kl9 h ALA 297 N 1.44 0.01 -0.25 3.60 0.00 -1.41 -3.40 119.26 119.25 3kl9 h ALA 297 Ca 0.26 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kl9 h ALA 297 Cb 0.39 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kl9 h ALA 297 CO -0.40 0.21 0.16 0.00 0.00 0.00 0.00 179.25 179.23 3kl9 h ALA 298 N 0.20 0.31 0.00 0.00 0.00 -0.84 -2.90 119.26 116.03 3kl9 h ALA 298 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kl9 h ALA 298 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kl9 h ALA 298 CO 0.08 -0.21 0.00 -2.39 0.00 0.00 0.00 179.25 176.73 3kl9 n HIS 299 N -4.91 0.30 1.12 0.00 1.44 -0.71 -1.52 115.22 110.94 3kl9 n HIS 299 Ca -0.02 0.14 0.12 0.00 -2.01 0.00 0.00 57.72 55.95 3kl9 n HIS 299 Cb 0.03 -0.72 0.19 0.00 0.12 0.00 0.00 29.99 29.60 3kl9 n HIS 299 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kl9 n LEU 300 N -1.79 1.52 -4.91 2.39 4.77 -1.09 -2.21 117.00 115.68 3kl9 n LEU 300 Ca 0.01 -0.51 -0.27 0.00 -0.03 0.00 0.00 56.01 55.21 3kl9 n LEU 300 Cb 0.09 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3kl9 n LEU 300 CO 0.09 0.29 0.51 -0.54 -1.33 0.00 0.00 177.39 176.41 3kl9 s LYS 301 N -2.49 3.11 3.79 3.23 -0.14 -0.57 -4.66 119.74 122.01 3kl9 s LYS 301 Ca 0.21 0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.90 3kl9 s LYS 301 Cb 0.19 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 34.04 3kl9 s LYS 301 CO 0.55 -0.56 0.00 0.09 -0.76 0.00 0.00 175.35 174.67 3kl9 n ASN 302 N -2.50 0.00 -0.77 2.83 5.03 -1.26 -0.45 115.26 118.14 3kl9 n ASN 302 Ca 0.03 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.56 3kl9 n ASN 302 Cb 0.57 0.00 0.20 0.00 -1.02 0.00 0.00 39.78 39.53 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 0.93 0.00 7.41 0.00 -1.26 -5.00 105.19 107.27 3kl9 n GLY 303 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.17 2.47 2.55 -0.02 0.00 0.40 -5.09 105.19 106.67 3kl9 n GLY 304 Ca 0.14 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.85 -0.08 0.01 1.61 1.01 -0.94 -4.96 120.40 116.21 3kl9 s VAL 305 Ca 0.00 -0.79 -0.36 0.00 0.00 0.00 0.00 61.98 60.82 3kl9 s VAL 305 Cb 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 36.38 35.24 3kl9 s VAL 305 CO 0.00 -0.73 1.55 -2.65 0.00 0.00 0.00 175.10 173.27 3kl9 n PRO 306 N 5.19 1.55 -4.21 2.72 -0.02 -1.26 -4.15 135.00 134.82 3kl9 n PRO 306 Ca -0.05 0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 3kl9 n PRO 306 Cb 0.42 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.65 1.48 0.01 2.55 0.01 -1.26 -1.55 113.70 116.60 3kl9 s SER 307 Ca 0.87 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 57.13 3kl9 s SER 307 Cb -0.87 0.04 -0.00 0.00 0.21 0.00 0.00 66.02 65.40 3kl9 s SER 307 CO 0.49 -0.39 0.01 0.35 0.41 0.00 0.00 173.24 174.11 3kl9 n THR 308 N -0.10 0.00 -4.32 1.44 -2.24 -0.99 -4.69 114.28 103.37 3kl9 n THR 308 Ca -0.11 -0.09 -0.25 0.00 -2.27 0.00 0.00 64.05 61.33 3kl9 n THR 308 Cb 0.61 0.05 -0.17 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.07 1.06 -0.80 4.28 2.01 -1.26 -1.06 115.64 117.80 3kl9 s THR 309 Ca 0.01 -0.39 -0.23 0.00 0.31 0.00 0.00 61.69 61.39 3kl9 s THR 309 Cb 0.00 -1.01 0.07 0.00 0.01 0.00 0.00 72.50 71.57 3kl9 s THR 309 CO 0.01 0.35 1.17 -0.63 -0.69 0.00 0.00 174.62 174.83 3kl9 s ILE 310 N 1.04 4.15 0.13 1.82 -1.09 0.15 -4.61 121.20 122.79 3kl9 s ILE 310 Ca -0.08 -0.43 0.05 0.00 -2.23 0.00 0.00 60.65 57.97 3kl9 s ILE 310 Cb -0.15 -4.84 -0.04 0.00 -1.58 0.00 0.00 42.46 35.86 3kl9 s ILE 310 CO -0.01 -1.67 0.03 -0.83 -1.23 0.00 0.00 174.94 171.24 3kl9 s GLY 311 N 3.94 1.83 0.08 6.18 0.00 -1.26 -3.47 107.32 114.61 3kl9 s GLY 311 Ca 0.32 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 43.91 3kl9 s GLY 311 CO 0.04 -1.20 -0.21 0.14 0.00 0.00 0.00 173.10 171.88 3kl9 s VAL 312 N -1.53 1.67 0.08 1.40 1.01 -1.21 -0.87 120.40 120.96 3kl9 s VAL 312 Ca 0.28 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3kl9 s VAL 312 Cb -0.11 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3kl9 s VAL 312 CO 0.20 0.05 0.07 0.00 0.00 0.00 0.00 175.10 175.42 3kl9 s ALA 314 N -1.38 -0.32 -0.01 0.00 0.00 -0.43 -4.69 121.76 114.93 3kl9 s ALA 314 Ca 0.29 -0.27 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 3kl9 s ALA 314 Cb -0.12 0.23 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 3kl9 s ALA 314 CO 0.21 -0.32 0.47 1.03 0.00 0.00 0.00 175.76 177.15 3kl9 s ARG 315 N -2.28 4.09 -0.92 0.00 0.52 0.17 0.49 118.95 121.02 3kl9 s ARG 315 Ca -0.07 0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 55.61 3kl9 s ARG 315 Cb -0.03 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.17 3kl9 s ARG 315 CO -0.02 0.56 0.79 0.66 0.02 0.00 0.00 175.30 177.30 3kl9 n TYR 316 N 2.20 -1.84 -1.45 -0.53 4.01 -1.26 -1.02 117.16 117.27 3kl9 n TYR 316 Ca -0.11 0.71 -0.37 0.00 -0.16 0.00 0.00 57.90 57.96 3kl9 n TYR 316 Cb 0.52 -4.07 0.06 0.00 -0.31 0.00 0.00 39.34 35.54 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 -3.80 2.73 -3.31 -0.72 -0.00 -1.26 -3.55 119.36 109.45 3kl9 n ILE 317 Ca -0.10 -0.46 -0.18 0.00 -0.00 0.00 0.00 62.75 62.02 3kl9 n ILE 317 Cb 0.58 -0.91 0.06 0.00 -0.00 0.00 0.00 39.64 39.38 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 -2.03 -2.15 -4.10 1.39 8.25 -1.26 -5.02 115.22 110.30 3kl9 n HIS 318 Ca 0.12 0.78 -0.15 0.00 -0.26 0.00 0.00 57.72 58.21 3kl9 n HIS 318 Cb 0.48 -4.21 -0.04 0.00 1.12 0.00 0.00 29.99 27.35 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 -3.41 1.06 0.47 0.41 1.04 -1.23 -4.72 113.70 107.32 3kl9 s SER 319 Ca 0.37 -1.55 0.27 0.00 0.48 0.00 0.00 55.95 55.52 3kl9 s SER 319 Cb -0.16 0.68 0.84 0.00 0.10 0.00 0.00 66.02 67.48 3kl9 s SER 319 CO 0.57 -1.33 1.79 0.45 0.98 0.00 0.00 173.24 175.70 3kl9 h HIS 320 N 2.07 0.00 -2.98 5.02 3.86 -1.90 -3.39 115.15 117.84 3kl9 h HIS 320 Ca -0.28 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.31 3kl9 h HIS 320 Cb 1.24 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 29.30 3kl9 h HIS 320 CO 1.64 0.10 -0.70 -0.65 0.86 0.00 0.00 177.93 179.19 3kl9 s GLN 321 N -3.46 1.81 -0.02 2.45 -1.52 -1.26 -3.16 119.66 114.49 3kl9 s GLN 321 Ca 0.03 -2.67 -0.15 0.00 -1.95 0.00 0.00 55.36 50.62 3kl9 s GLN 321 Cb 0.08 -2.77 -0.05 0.00 -0.22 0.00 0.00 33.01 30.05 3kl9 s GLN 321 CO 0.62 -1.24 0.41 0.99 -0.25 0.00 0.00 175.29 175.82 3kl9 s THR 322 N -0.54 5.06 -0.07 -0.19 2.01 0.74 -4.69 115.64 117.97 3kl9 s THR 322 Ca 0.23 0.84 0.04 0.00 0.31 0.00 0.00 61.69 63.11 3kl9 s THR 322 Cb -0.11 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 3kl9 s THR 322 CO -0.10 0.53 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.95 3kl9 s LEU 323 N -0.76 2.39 0.16 4.42 0.20 -0.19 -1.83 118.68 123.06 3kl9 s LEU 323 Ca 0.24 -0.38 -0.22 0.00 0.69 0.00 0.00 54.13 54.46 3kl9 s LEU 323 Cb -0.16 -1.47 0.06 0.00 -0.43 0.00 0.00 46.19 44.19 3kl9 s LEU 323 CO 0.12 0.26 0.56 -0.72 -0.29 0.00 0.00 176.35 176.29 3kl9 s TYR 324 N -0.21 -0.47 -0.16 5.38 -0.85 -1.06 0.43 117.35 120.41 3kl9 s TYR 324 Ca -0.01 0.24 -0.08 0.00 -0.52 0.00 0.00 57.07 56.70 3kl9 s TYR 324 Cb -0.13 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 3kl9 s TYR 324 CO 0.03 -0.83 0.11 0.00 -1.52 0.00 0.00 175.55 173.34 3kl9 s ALA 325 N -3.76 3.65 0.35 9.51 0.00 -1.26 -1.10 121.76 129.14 3kl9 s ALA 325 Ca 0.02 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 51.36 3kl9 s ALA 325 Cb -0.01 -1.99 0.66 0.00 0.00 0.00 0.00 23.12 21.78 3kl9 s ALA 325 CO -0.12 0.34 1.85 0.52 0.00 0.00 0.00 175.76 178.35 3kl9 h MET 326 N 6.02 0.29 -0.91 0.00 2.86 -1.78 -2.62 114.93 118.79 3kl9 h MET 326 Ca -0.45 -0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.18 3kl9 h MET 326 Cb 1.18 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.75 3kl9 h MET 326 CO 0.67 0.48 0.59 0.22 1.06 0.00 0.00 176.91 179.93 3kl9 h ASP 327 N 0.27 0.88 -0.07 1.22 3.58 -1.95 -2.21 116.42 118.14 3kl9 h ASP 327 Ca 0.05 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 3kl9 h ASP 327 Cb 0.49 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3kl9 h ASP 327 CO 0.03 0.55 -0.20 0.44 -2.88 0.00 0.00 179.24 177.18 3kl9 h ASP 328 N 0.99 0.46 0.13 2.28 3.32 -1.81 -1.38 116.42 120.42 3kl9 h ASP 328 Ca 0.41 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 3kl9 h ASP 328 Cb 0.28 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3kl9 h ASP 328 CO -0.16 0.68 -0.06 0.15 -1.72 0.00 0.00 179.24 178.12 3kl9 h PHE 329 N 0.42 -0.17 -0.49 4.55 3.57 -1.38 -1.70 116.94 121.75 3kl9 h PHE 329 Ca 0.07 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3kl9 h PHE 329 Cb 0.60 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 3kl9 h PHE 329 CO 0.02 -0.00 0.26 -0.07 -2.23 0.00 0.00 178.31 176.28 3kl9 h LEU 330 N -0.30 0.38 -0.77 0.59 3.38 -1.10 0.14 115.31 117.63 3kl9 h LEU 330 Ca -0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kl9 h LEU 330 Cb 0.24 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3kl9 h LEU 330 CO 0.03 0.26 0.51 -0.33 0.09 0.00 0.00 178.44 179.00 3kl9 h GLU 331 N 0.50 1.01 0.20 1.13 4.39 -1.27 -1.81 114.58 118.73 3kl9 h GLU 331 Ca 0.21 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3kl9 h GLU 331 Cb 0.11 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3kl9 h GLU 331 CO -0.14 0.67 -0.10 0.00 -1.16 0.00 0.00 179.01 178.28 3kl9 h ALA 332 N 1.28 -0.27 -0.32 3.43 0.00 -0.30 -2.27 119.26 120.81 3kl9 h ALA 332 Ca 0.28 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3kl9 h ALA 332 Cb -0.11 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3kl9 h ALA 332 CO -0.06 -0.49 -0.11 0.37 0.00 0.00 0.00 179.25 178.96 3kl9 h GLN 333 N -0.61 -0.04 -0.74 0.00 5.75 -0.76 0.24 115.11 118.96 3kl9 h GLN 333 Ca -0.03 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.58 3kl9 h GLN 333 Cb 0.44 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.93 3kl9 h GLN 333 CO 0.05 -0.03 0.37 0.00 -2.65 0.00 0.00 178.83 176.57 3kl9 h ALA 334 N 1.25 1.04 -0.56 3.38 0.00 -1.36 -1.22 119.26 121.78 3kl9 h ALA 334 Ca 0.16 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kl9 h ALA 334 Cb 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kl9 h ALA 334 CO -0.35 -0.04 0.32 0.35 0.00 0.00 0.00 179.25 179.53 3kl9 h PHE 335 N 0.62 0.77 -0.74 0.00 -0.00 -0.65 -1.88 116.94 115.06 3kl9 h PHE 335 Ca 0.37 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 58.32 3kl9 h PHE 335 Cb 0.41 -0.25 -0.04 0.00 -0.00 0.00 0.00 35.95 36.08 3kl9 h PHE 335 CO -0.10 0.55 0.46 1.25 -0.00 0.00 0.00 178.31 180.46 3kl9 h LEU 336 N 0.76 0.88 -0.00 0.59 6.46 -0.02 -0.93 115.31 123.04 3kl9 h LEU 336 Ca 0.20 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 3kl9 h LEU 336 Cb 0.03 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.74 3kl9 h LEU 336 CO -0.03 0.67 0.00 1.56 -0.62 0.00 0.00 178.44 180.02 3kl9 h GLN 337 N 1.00 0.00 -0.49 1.25 4.20 -1.04 -2.14 115.11 117.90 3kl9 h GLN 337 Ca 0.27 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.04 3kl9 h GLN 337 Cb -0.05 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.67 3kl9 h GLN 337 CO -0.05 0.21 0.17 0.00 -0.67 0.00 0.00 178.83 178.49 3kl9 h ALA 338 N 0.79 0.59 0.32 3.87 0.00 -1.20 -1.90 119.26 121.73 3kl9 h ALA 338 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kl9 h ALA 338 Cb 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kl9 h ALA 338 CO -0.00 -0.23 -0.32 -0.07 0.00 0.00 0.00 179.25 178.63 3kl9 h LEU 339 N 0.34 -0.88 -0.85 0.00 3.38 -1.06 -1.37 115.31 114.88 3kl9 h LEU 339 Ca 0.23 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.16 3kl9 h LEU 339 Cb 0.25 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3kl9 h LEU 339 CO -0.24 -0.46 -0.45 -0.37 0.09 0.00 0.00 178.44 177.01 3kl9 h VAL 340 N -0.68 1.32 -0.49 1.22 -1.51 -1.31 -2.12 116.25 112.69 3kl9 h VAL 340 Ca -0.02 -1.62 -0.04 0.00 -1.23 0.00 0.00 66.70 63.79 3kl9 h VAL 340 Cb 0.62 1.73 -0.02 0.00 -2.13 0.00 0.00 31.29 31.48 3kl9 h VAL 340 CO -0.06 0.49 0.13 0.11 -1.23 0.00 0.00 177.57 177.00 3kl9 h LYS 341 N 0.23 0.78 0.00 5.19 1.57 -1.29 -2.64 116.57 120.41 3kl9 h LYS 341 Ca 0.02 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3kl9 h LYS 341 Cb 0.88 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3kl9 h LYS 341 CO 0.07 0.75 0.00 1.17 -0.57 0.00 0.00 179.45 180.87 3kl9 n LYS 342 N -4.48 0.96 -3.16 3.15 4.81 -0.52 -4.62 118.16 114.30 3kl9 n LYS 342 Ca 0.01 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.04 3kl9 n LYS 342 Cb 0.21 -1.49 -0.07 0.00 0.02 0.00 0.00 35.03 33.70 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 -1.99 4.26 0.38 3.14 1.43 -0.82 -4.78 118.68 120.30 3kl9 s LEU 343 Ca 0.45 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.62 3kl9 s LEU 343 Cb 0.21 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.74 3kl9 s LEU 343 CO 0.35 -0.53 0.65 1.51 0.23 0.00 0.00 176.35 178.56 3kl9 s ASP 344 N 1.75 0.54 0.26 2.29 3.84 -1.26 -3.63 116.67 120.46 3kl9 s ASP 344 Ca 0.23 -1.38 -0.10 0.00 -0.00 0.00 0.00 52.55 51.30 3kl9 s ASP 344 Cb -0.15 0.78 0.40 0.00 -1.38 0.00 0.00 42.92 42.57 3kl9 s ASP 344 CO 0.14 -1.55 1.50 -1.14 -0.00 0.00 0.00 175.17 174.12 3kl9 n ARG 345 N -0.57 -0.12 -0.06 2.11 3.00 -1.26 -1.01 116.66 118.76 3kl9 n ARG 345 Ca -0.04 1.50 -0.10 0.00 -0.00 0.00 0.00 57.85 59.20 3kl9 n ARG 345 Cb 0.61 -2.23 -0.04 0.00 0.00 0.00 0.00 32.46 30.80 3kl9 n ARG 345 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 3kl9 h SER 346 N 0.00 0.28 0.01 6.15 0.02 -1.97 -2.28 113.55 115.77 3kl9 h SER 346 Ca 0.43 -0.11 -0.20 0.00 -0.84 0.00 0.00 61.79 61.07 3kl9 h SER 346 Cb 0.68 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3kl9 h SER 346 CO -0.98 0.31 -0.73 0.71 -1.14 0.00 0.00 176.83 175.00 3kl9 h THR 347 N 0.22 1.32 -0.37 -2.27 1.35 -1.38 -0.85 112.91 110.93 3kl9 h THR 347 Ca 0.07 -2.01 -0.09 0.00 -0.55 0.00 0.00 66.41 63.84 3kl9 h THR 347 Cb 0.10 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 3kl9 h THR 347 CO -0.01 0.62 -0.13 -0.37 -0.25 0.00 0.00 175.52 175.39 3kl9 h VAL 348 N 0.44 1.25 -0.50 6.82 -1.51 -1.20 -1.16 116.25 120.39 3kl9 h VAL 348 Ca -0.04 -1.13 -0.04 0.00 -1.23 0.00 0.00 66.70 64.26 3kl9 h VAL 348 Cb 1.33 1.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 3kl9 h VAL 348 CO 0.14 0.38 0.15 0.44 -1.23 0.00 0.00 177.57 177.45 3kl9 h ASP 349 N 0.60 0.74 0.29 4.19 5.19 -1.13 -0.20 116.42 126.10 3kl9 h ASP 349 Ca 0.10 -0.21 -0.08 0.00 -0.62 0.00 0.00 57.03 56.22 3kl9 h ASP 349 Cb 0.57 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 3kl9 h ASP 349 CO 0.04 0.76 -0.36 0.25 -3.12 0.00 0.00 179.24 176.81 3kl9 h LEU 350 N 0.68 0.10 -0.61 1.55 6.46 -1.01 -0.47 115.31 122.01 3kl9 h LEU 350 Ca 0.16 -0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.76 3kl9 h LEU 350 Cb 0.29 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 3kl9 h LEU 350 CO -0.00 0.45 -0.30 0.40 -0.62 0.00 0.00 178.44 178.37 3kl9 h ILE 351 N 0.08 1.28 -0.86 4.05 2.04 -0.87 -3.11 117.51 120.13 3kl9 h ILE 351 Ca 0.01 -1.44 -0.39 0.00 1.00 0.00 0.00 64.86 64.04 3kl9 h ILE 351 Cb 0.67 1.32 -0.23 0.00 -0.74 0.00 0.00 36.82 37.84 3kl9 h ILE 351 CO 0.05 0.48 0.47 0.29 0.00 0.00 0.00 178.15 179.43 3kl9 n LYS 352 N -4.08 2.71 -2.28 2.37 5.02 -0.12 -4.27 118.16 117.51 3kl9 n LYS 352 Ca -0.01 -3.05 -0.37 0.00 -2.02 0.00 0.00 58.31 52.86 3kl9 n LYS 352 Cb 0.48 -2.16 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 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 -3.19 2.02 -1.56 2.13 2.46 -0.23 -4.96 115.29 111.95 3kl9 s HIS 353 Ca 0.55 0.22 0.12 0.00 0.47 0.00 0.00 55.06 56.43 3kl9 s HIS 353 Cb 0.46 -4.35 0.10 0.00 -0.13 0.00 0.00 32.58 28.66 3kl9 s HIS 353 CO 0.11 -2.06 0.90 0.66 -2.47 0.00 0.00 174.74 171.87