#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 0.75 -0.90 -4.42 6.46 -2.04 -1.76 115.31 113.40 3kl9 h LEU 4 Ca 0.00 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.58 3kl9 h LEU 4 Cb 0.00 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.70 3kl9 h LEU 4 CO 0.00 0.68 0.31 0.15 -0.62 0.00 0.00 178.44 178.96 3kl9 h PHE 5 N 0.77 1.12 -0.43 1.25 3.04 -2.01 -1.79 116.94 118.88 3kl9 h PHE 5 Ca 0.19 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 3kl9 h PHE 5 Cb 0.14 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.29 3kl9 h PHE 5 CO 0.00 0.84 0.24 0.77 -2.02 0.00 0.00 178.31 178.15 3kl9 h SER 6 N 1.09 0.54 -0.78 0.41 0.02 -1.94 0.25 113.55 113.14 3kl9 h SER 6 Ca 0.25 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3kl9 h SER 6 Cb 0.19 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3kl9 h SER 6 CO -0.02 0.47 0.39 0.11 -1.14 0.00 0.00 176.83 176.64 3kl9 h LYS 7 N 0.57 1.13 -0.07 3.45 1.57 -1.05 -1.85 116.57 120.32 3kl9 h LYS 7 Ca 0.15 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3kl9 h LYS 7 Cb 0.05 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3kl9 h LYS 7 CO -0.03 0.86 -0.15 0.82 -0.57 0.00 0.00 179.45 180.39 3kl9 h ILE 8 N 1.12 1.42 -0.78 1.86 2.04 -0.97 -2.90 117.51 119.30 3kl9 h ILE 8 Ca 0.28 -1.47 0.17 0.00 1.00 0.00 0.00 64.86 64.83 3kl9 h ILE 8 Cb 0.09 2.23 -0.11 0.00 -0.74 0.00 0.00 36.82 38.29 3kl9 h ILE 8 CO -0.04 0.41 0.26 0.50 0.00 0.00 0.00 178.15 179.29 3kl9 h LYS 9 N -0.28 0.35 0.54 2.37 3.64 -0.36 -1.88 116.57 120.95 3kl9 h LYS 9 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3kl9 h LYS 9 Cb 0.74 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3kl9 h LYS 9 CO 0.03 0.23 -0.26 1.49 -2.27 0.00 0.00 179.45 178.67 3kl9 h GLU 10 N 0.36 -0.70 -0.34 1.90 4.81 -1.32 -2.90 114.58 116.40 3kl9 h GLU 10 Ca 0.44 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.62 3kl9 h GLU 10 Cb 0.75 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3kl9 h GLU 10 CO -0.48 -0.44 -0.22 -0.39 -0.73 0.00 0.00 179.01 176.75 3kl9 h VAL 11 N -0.77 1.27 0.00 0.32 -1.51 -1.28 -3.03 116.25 111.24 3kl9 h VAL 11 Ca -0.07 -1.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 3kl9 h VAL 11 Cb 0.58 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 3kl9 h VAL 11 CO 0.12 0.42 -0.02 0.35 -1.23 0.00 0.00 177.57 177.21 3kl9 n THR 12 N -4.12 0.54 0.99 7.19 -2.24 -0.73 -3.31 114.28 112.60 3kl9 n THR 12 Ca 0.00 -0.26 0.11 0.00 -2.27 0.00 0.00 64.05 61.63 3kl9 n THR 12 Cb 0.41 -0.56 0.04 0.00 -2.10 0.00 0.00 70.33 68.12 3kl9 n THR 12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kl9 n GLU 13 N -2.20 0.00 -1.78 -0.78 1.02 -1.09 -4.67 120.64 111.15 3kl9 n GLU 13 Ca 0.06 -0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.83 3kl9 n GLU 13 Cb 0.42 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.40 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 -3.01 3.57 -0.28 -4.62 1.43 -1.18 -5.02 118.68 109.57 3kl9 s LEU 14 Ca 0.09 2.53 -0.00 0.00 -1.03 0.00 0.00 54.13 55.72 3kl9 s LEU 14 Cb 0.17 -4.61 0.05 0.00 0.03 0.00 0.00 46.19 41.83 3kl9 s LEU 14 CO 0.80 -1.93 -0.04 0.00 0.23 0.00 0.00 176.35 175.41 3kl9 s ALA 15 N -1.51 2.72 -0.33 4.21 0.00 -1.26 -5.03 121.76 120.55 3kl9 s ALA 15 Ca 0.80 -1.75 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3kl9 s ALA 15 Cb -0.35 -1.80 0.18 0.00 0.00 0.00 0.00 23.12 21.15 3kl9 s ALA 15 CO 0.38 -1.23 0.51 0.00 0.00 0.00 0.00 175.76 175.42 3kl9 s ALA 16 N 1.20 -1.70 0.46 0.00 0.00 -1.26 -4.66 121.76 115.80 3kl9 s ALA 16 Ca -0.06 0.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 3kl9 s ALA 16 Cb -0.20 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 3kl9 s ALA 16 CO -0.03 -1.95 0.87 0.08 0.00 0.00 0.00 175.76 174.73 3kl9 s VAL 17 N 2.27 4.66 0.10 0.00 1.01 -1.26 -1.26 120.40 125.93 3kl9 s VAL 17 Ca 0.12 0.91 -0.35 0.00 0.00 0.00 0.00 61.98 62.67 3kl9 s VAL 17 Cb -0.10 -3.73 -0.18 0.00 0.00 0.00 0.00 36.38 32.37 3kl9 s VAL 17 CO -0.19 -0.60 0.98 -1.20 0.00 0.00 0.00 175.10 174.08 3kl9 n SER 18 N -1.43 0.15 0.00 3.32 7.64 -1.23 -1.11 113.62 120.95 3kl9 n SER 18 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3kl9 n SER 18 Cb 0.54 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 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 1.82 1.75 2.64 0.23 0.00 -1.26 -4.87 105.19 105.49 3kl9 n GLY 19 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 1.57 -0.35 1.61 -0.00 -0.27 -4.93 115.22 110.85 3kl9 n HIS 20 Ca 0.00 -2.73 0.07 0.00 -0.00 0.00 0.00 57.72 55.05 3kl9 n HIS 20 Cb 0.00 -0.31 0.31 0.00 -0.00 0.00 0.00 29.99 29.99 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 -0.22 3.68 -0.28 -0.41 0.00 -1.26 -4.13 120.64 118.02 3kl9 n GLU 21 Ca 0.14 -2.42 0.09 0.00 0.00 0.00 0.00 57.16 54.98 3kl9 n GLU 21 Cb 0.80 -1.95 0.23 0.00 0.00 0.00 0.00 31.44 30.52 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 3.73 1.08 -0.12 -1.84 0.00 -1.92 -0.56 119.26 119.62 3kl9 h ALA 22 Ca 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3kl9 h ALA 22 Cb 1.46 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3kl9 h ALA 22 CO 0.29 -0.43 -0.20 -1.35 0.00 0.00 0.00 179.25 177.56 3kl9 h PRO 23 N 0.19 0.20 0.07 0.00 0.11 -1.83 0.77 132.00 131.51 3kl9 h PRO 23 Ca 0.49 -0.06 -0.27 0.00 0.11 0.00 0.00 66.00 66.28 3kl9 h PRO 23 Cb 0.93 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3kl9 h PRO 23 CO -0.64 0.41 -1.32 0.28 -0.21 0.00 0.00 178.00 176.51 3kl9 h VAL 24 N 0.19 1.37 -0.82 3.15 2.07 -1.75 -2.81 116.25 117.65 3kl9 h VAL 24 Ca 0.03 -3.04 -0.03 0.00 0.82 0.00 0.00 66.70 64.48 3kl9 h VAL 24 Cb 0.47 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 3kl9 h VAL 24 CO 0.03 0.84 0.38 -0.09 0.02 0.00 0.00 177.57 178.75 3kl9 h ARG 25 N 0.04 1.18 -0.53 1.57 2.43 -0.79 -0.78 114.38 117.51 3kl9 h ARG 25 Ca -0.15 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3kl9 h ARG 25 Cb 1.93 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 31.24 3kl9 h ARG 25 CO 0.15 0.92 0.34 0.00 -1.51 0.00 0.00 179.97 179.87 3kl9 h ALA 26 N 1.24 0.67 -0.58 2.80 0.00 -0.86 0.21 119.26 122.76 3kl9 h ALA 26 Ca 0.28 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kl9 h ALA 26 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kl9 h ALA 26 CO -0.03 0.09 0.21 -0.92 0.00 0.00 0.00 179.25 178.59 3kl9 h TYR 27 N 0.69 0.90 -0.27 0.00 5.03 -1.23 -2.73 116.97 119.37 3kl9 h TYR 27 Ca 0.20 -0.08 -0.15 0.00 2.58 0.00 0.00 58.73 61.28 3kl9 h TYR 27 Cb -0.05 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 37.96 3kl9 h TYR 27 CO -0.05 0.74 -0.45 -0.07 -1.32 0.00 0.00 178.16 177.01 3kl9 h LEU 28 N 0.80 0.75 -0.27 2.82 3.38 -0.80 -2.97 115.31 119.04 3kl9 h LEU 28 Ca 0.19 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3kl9 h LEU 28 Cb 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kl9 h LEU 28 CO -0.01 1.09 0.15 -0.09 0.09 0.00 0.00 178.44 179.67 3kl9 h ARG 29 N 0.56 0.30 0.00 1.13 2.43 -0.53 0.14 114.38 118.40 3kl9 h ARG 29 Ca 0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3kl9 h ARG 29 Cb 1.00 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3kl9 h ARG 29 CO 0.09 0.20 -0.06 1.49 -1.51 0.00 0.00 179.97 180.18 3kl9 h GLU 30 N 0.31 0.00 0.00 0.20 4.22 -1.45 -1.45 114.58 116.41 3kl9 h GLU 30 Ca 0.11 0.00 -0.25 0.00 0.08 0.00 0.00 59.36 59.30 3kl9 h GLU 30 Cb 0.01 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 3kl9 h GLU 30 CO -0.06 0.06 -2.14 1.63 -2.18 0.00 0.00 179.01 176.33 3kl9 n LYS 31 N -3.56 0.97 -0.03 1.92 5.02 -1.00 -4.50 118.16 116.98 3kl9 n LYS 31 Ca -0.02 -0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.07 3kl9 n LYS 31 Cb 0.18 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.22 -0.80 -0.35 4.07 -0.61 -3.40 115.31 114.44 3kl9 h LEU 32 Ca -0.37 -0.72 0.17 0.00 0.08 0.00 0.00 57.88 57.04 3kl9 h LEU 32 Cb 1.80 -0.07 -0.10 0.00 1.08 0.00 0.00 40.66 43.37 3kl9 h LEU 32 CO 0.02 0.90 0.32 0.74 -1.08 0.00 0.00 178.44 179.34 3kl9 h THR 33 N -0.45 0.60 0.00 0.22 2.02 -1.48 -1.06 112.91 112.76 3kl9 h THR 33 Ca -0.02 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3kl9 h THR 33 Cb 0.91 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3kl9 h THR 33 CO 0.04 0.08 0.00 -0.65 0.37 0.00 0.00 175.52 175.36 3kl9 h PRO 34 N 0.43 0.00 -0.13 6.66 0.11 -1.82 -3.22 132.00 134.02 3kl9 h PRO 34 Ca 0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.54 3kl9 h PRO 34 Cb 0.75 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3kl9 h PRO 34 CO -0.45 0.00 -0.06 0.72 -0.21 0.00 0.00 178.00 178.00 3kl9 n HIS 35 N -2.69 0.46 -3.74 0.65 8.25 -0.41 -5.02 115.22 112.72 3kl9 n HIS 35 Ca 0.01 -1.09 -0.14 0.00 -0.26 0.00 0.00 57.72 56.24 3kl9 n HIS 35 Cb 0.26 -0.26 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.95 0.05 0.11 1.59 1.01 -1.19 -4.73 120.40 114.29 3kl9 s VAL 36 Ca 0.38 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3kl9 s VAL 36 Cb 0.33 -0.65 -0.14 0.00 0.00 0.00 0.00 36.38 35.92 3kl9 s VAL 36 CO 0.03 -0.22 1.33 0.44 0.00 0.00 0.00 175.10 176.69 3kl9 h ASP 37 N 3.88 0.94 -4.72 3.32 3.32 -1.25 -3.47 116.42 118.43 3kl9 h ASP 37 Ca -0.29 -0.59 -0.14 0.00 0.02 0.00 0.00 57.03 56.03 3kl9 h ASP 37 Cb 1.17 -0.27 -0.22 0.00 0.22 0.00 0.00 39.33 40.23 3kl9 h ASP 37 CO 0.39 1.39 -0.42 -0.70 -1.72 0.00 0.00 179.24 178.18 3kl9 s GLU 38 N -3.83 0.49 -0.20 3.56 2.12 -0.97 -4.99 118.70 114.88 3kl9 s GLU 38 Ca -0.10 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.05 3kl9 s GLU 38 Cb 0.09 0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.71 3kl9 s GLU 38 CO 0.90 -0.12 -0.15 0.08 -0.54 0.00 0.00 175.26 175.43 3kl9 s VAL 39 N -1.04 2.36 0.33 3.70 1.01 -1.26 0.14 120.40 125.64 3kl9 s VAL 39 Ca -0.11 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 60.99 3kl9 s VAL 39 Cb -0.06 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.19 3kl9 s VAL 39 CO 0.02 0.44 -0.01 0.68 0.00 0.00 0.00 175.10 176.23 3kl9 s VAL 40 N 1.31 1.65 0.00 2.92 -7.23 -0.31 -4.99 120.40 113.76 3kl9 s VAL 40 Ca 0.03 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 3kl9 s VAL 40 Cb -0.14 -2.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 3kl9 s VAL 40 CO -0.10 -0.12 -0.03 0.28 -0.31 0.00 0.00 175.10 174.82 3kl9 s THR 41 N -2.98 0.20 0.58 5.32 -1.32 -1.26 -1.63 115.64 114.54 3kl9 s THR 41 Ca 0.33 -0.24 -0.07 0.00 -1.21 0.00 0.00 61.69 60.51 3kl9 s THR 41 Cb 0.07 -0.20 0.13 0.00 -1.51 0.00 0.00 72.50 70.98 3kl9 s THR 41 CO 0.15 -0.03 0.79 -0.90 -2.21 0.00 0.00 174.62 172.42 3kl9 n ASP 42 N 2.78 0.41 0.23 8.08 5.68 -0.93 -4.97 116.55 127.83 3kl9 n ASP 42 Ca -0.14 -1.50 0.07 0.00 -0.50 0.00 0.00 54.79 52.72 3kl9 n ASP 42 Cb 0.58 -0.58 0.54 0.00 -1.14 0.00 0.00 41.12 40.53 3kl9 n ASP 42 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3kl9 h GLY 43 N -0.85 0.00 -1.17 6.12 0.00 -1.92 -3.22 103.07 102.03 3kl9 h GLY 43 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3kl9 h GLY 43 CO 0.22 0.00 -0.07 1.04 0.00 0.00 0.00 176.54 177.73 3kl9 n LEU 44 N -4.06 2.18 0.00 3.11 4.32 -1.26 -4.99 117.00 116.30 3kl9 n LEU 44 Ca -0.02 -0.95 0.00 0.00 -0.02 0.00 0.00 56.01 55.02 3kl9 n LEU 44 Cb 0.28 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 3kl9 n LEU 44 CO 0.35 0.39 0.00 0.61 -1.22 0.00 0.00 177.39 177.52 3kl9 n GLY 45 N 0.96 1.05 3.77 -0.72 0.00 -1.22 -4.92 105.19 104.11 3kl9 n GLY 45 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.10 2.97 -0.02 -0.02 0.00 -1.26 -4.83 107.32 103.06 3kl9 s GLY 46 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 44.72 45.75 3kl9 s GLY 46 CO 0.00 1.61 0.00 -0.26 0.00 0.00 0.00 173.10 174.45 3kl9 s ILE 47 N -1.25 4.18 -0.04 0.90 -5.25 -1.15 -2.19 121.20 116.40 3kl9 s ILE 47 Ca 0.50 -0.52 -0.04 0.00 -0.99 0.00 0.00 60.65 59.60 3kl9 s ILE 47 Cb -0.34 -2.84 0.01 0.00 2.95 0.00 0.00 42.46 42.25 3kl9 s ILE 47 CO 0.43 0.43 0.12 -0.36 -1.79 0.00 0.00 174.94 173.78 3kl9 s PHE 48 N -1.04 -0.13 -0.15 1.37 0.40 -0.65 -1.62 117.98 116.17 3kl9 s PHE 48 Ca 0.18 0.31 -0.11 0.00 -0.60 0.00 0.00 56.93 56.71 3kl9 s PHE 48 Cb -0.11 0.04 -0.05 0.00 0.51 0.00 0.00 43.02 43.41 3kl9 s PHE 48 CO 0.08 -0.07 0.21 0.20 0.70 0.00 0.00 175.22 176.34 3kl9 s GLY 49 N 0.01 2.16 -0.16 4.36 0.00 0.24 -1.16 107.32 112.78 3kl9 s GLY 49 Ca -0.01 -0.56 -0.08 0.00 0.00 0.00 0.00 44.72 44.07 3kl9 s GLY 49 CO 0.00 0.10 0.11 -0.42 0.00 0.00 0.00 173.10 172.89 3kl9 s ILE 50 N -0.09 5.26 -0.31 0.90 1.01 0.12 -0.18 121.20 127.91 3kl9 s ILE 50 Ca 0.14 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.93 3kl9 s ILE 50 Cb -0.12 -3.34 0.10 0.00 0.01 0.00 0.00 42.46 39.10 3kl9 s ILE 50 CO 0.03 0.52 0.07 -0.75 0.00 0.00 0.00 174.94 174.81 3kl9 s LYS 51 N -0.24 1.06 0.58 2.79 2.20 -0.31 -0.75 119.74 125.07 3kl9 s LYS 51 Ca 0.10 -1.35 -0.19 0.00 -0.36 0.00 0.00 55.97 54.18 3kl9 s LYS 51 Cb -0.12 -2.48 -0.04 0.00 -1.51 0.00 0.00 37.83 33.68 3kl9 s LYS 51 CO 0.01 -0.93 1.18 -1.01 -0.36 0.00 0.00 175.35 174.24 3kl9 s HIS 52 N 1.34 2.48 0.05 4.03 3.76 -1.26 -2.48 115.29 123.21 3kl9 s HIS 52 Ca 0.09 1.53 0.05 0.00 -0.15 0.00 0.00 55.06 56.58 3kl9 s HIS 52 Cb -0.18 -3.42 -0.04 0.00 1.11 0.00 0.00 32.58 30.06 3kl9 s HIS 52 CO -0.17 -2.01 -0.08 0.45 -0.85 0.00 0.00 174.74 172.07 3kl9 s SER 53 N -1.68 4.51 0.26 1.40 0.15 -1.26 -4.86 113.70 112.21 3kl9 s SER 53 Ca 0.76 -0.26 0.25 0.00 0.70 0.00 0.00 55.95 57.39 3kl9 s SER 53 Cb -0.28 -0.96 0.56 0.00 -1.71 0.00 0.00 66.02 63.63 3kl9 s SER 53 CO 0.31 0.23 1.61 -0.33 1.20 0.00 0.00 173.24 176.27 3kl9 h GLU 54 N 4.06 0.00 -7.09 5.44 5.08 -1.94 -3.47 114.58 116.66 3kl9 h GLU 54 Ca -0.48 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.33 3kl9 h GLU 54 Cb 1.17 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.55 3kl9 h GLU 54 CO 0.53 0.00 0.52 0.00 -1.00 0.00 0.00 179.01 179.06 3kl9 s ALA 55 N -3.16 2.52 0.00 3.43 0.00 -1.26 -5.01 121.76 118.29 3kl9 s ALA 55 Ca 0.08 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.21 3kl9 s ALA 55 Cb 0.10 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3kl9 s ALA 55 CO 0.65 -1.39 0.44 0.28 0.00 0.00 0.00 175.76 175.73 3kl9 n VAL 56 N -1.61 0.00 -1.37 0.00 0.31 -1.26 -3.91 118.33 110.48 3kl9 n VAL 56 Ca 0.14 0.85 -0.23 0.00 -0.01 0.00 0.00 64.34 65.09 3kl9 n VAL 56 Cb 0.48 -1.69 -0.08 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.58 6.18 -4.61 4.52 2.03 -1.26 -4.94 116.55 117.89 3kl9 n ASP 57 Ca 0.00 -3.03 -0.43 0.00 0.52 0.00 0.00 54.79 51.85 3kl9 n ASP 57 Cb 0.00 -1.27 -0.02 0.00 -0.72 0.00 0.00 41.12 39.10 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 -1.08 3.02 0.24 -1.67 0.00 -1.25 -4.66 121.76 116.35 3kl9 s ALA 58 Ca 0.61 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 3kl9 s ALA 58 Cb 0.37 -3.95 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 3kl9 s ALA 58 CO -0.17 -2.40 1.38 -1.25 0.00 0.00 0.00 175.76 173.32 3kl9 s PRO 59 N 5.21 4.32 0.18 0.00 0.04 -1.26 -4.31 135.00 139.18 3kl9 s PRO 59 Ca 0.72 2.21 -0.30 0.00 0.04 0.00 0.00 61.00 63.67 3kl9 s PRO 59 Cb -0.20 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.13 3kl9 s PRO 59 CO 0.32 -0.33 1.21 1.03 0.04 0.00 0.00 177.00 179.27 3kl9 s ARG 60 N -0.47 4.48 -0.11 4.56 0.52 -1.26 -0.91 118.95 125.76 3kl9 s ARG 60 Ca 0.57 1.89 0.01 0.00 -0.52 0.00 0.00 55.73 57.67 3kl9 s ARG 60 Cb -0.40 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 31.85 3kl9 s ARG 60 CO 0.43 -0.12 -0.11 0.08 0.02 0.00 0.00 175.30 175.60 3kl9 s VAL 61 N 0.05 1.23 -0.19 3.52 1.01 0.30 -1.12 120.40 125.19 3kl9 s VAL 61 Ca 0.54 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 3kl9 s VAL 61 Cb -0.33 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3kl9 s VAL 61 CO 0.36 0.39 0.09 -0.22 0.00 0.00 0.00 175.10 175.73 3kl9 s LEU 62 N 1.29 3.98 -0.16 3.92 2.96 -0.52 -0.43 118.68 129.71 3kl9 s LEU 62 Ca -0.02 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3kl9 s LEU 62 Cb -0.14 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.55 3kl9 s LEU 62 CO -0.05 0.17 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.29 3kl9 s VAL 63 N 0.41 1.83 -0.04 1.68 1.01 -0.04 -0.59 120.40 124.66 3kl9 s VAL 63 Ca 0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3kl9 s VAL 63 Cb -0.12 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.61 3kl9 s VAL 63 CO -0.00 0.50 0.09 0.00 0.00 0.00 0.00 175.10 175.68 3kl9 s ALA 64 N 1.37 -0.14 0.13 5.51 0.00 -0.82 -1.53 121.76 126.27 3kl9 s ALA 64 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3kl9 s ALA 64 Cb -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.73 3kl9 s ALA 64 CO -0.12 -0.09 0.00 -1.13 0.00 0.00 0.00 175.76 174.42 3kl9 n SER 65 N 3.72 0.00 -3.94 0.00 3.41 -0.86 -0.57 113.62 115.37 3kl9 n SER 65 Ca -0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.30 3kl9 n SER 65 Cb 0.54 0.00 -0.10 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 2.11 0.20 -0.13 7.33 -3.43 -1.26 0.22 115.29 120.32 3kl9 s HIS 66 Ca 0.00 -0.45 0.21 0.00 -0.80 0.00 0.00 55.06 54.02 3kl9 s HIS 66 Cb 0.00 -0.15 -0.17 0.00 -1.43 0.00 0.00 32.58 30.83 3kl9 s HIS 66 CO 0.00 -0.27 0.71 -1.33 -2.00 0.00 0.00 174.74 171.85 3kl9 n MET 67 N 1.25 0.64 -2.46 -0.38 2.81 -0.42 -4.61 117.12 113.94 3kl9 n MET 67 Ca -0.22 0.01 -0.30 0.00 -1.81 0.00 0.00 57.70 55.38 3kl9 n MET 67 Cb 0.56 -1.68 -0.02 0.00 -0.71 0.00 0.00 33.22 31.38 3kl9 n MET 67 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3kl9 s ASP 68 N -5.12 6.42 0.23 7.83 -4.77 -1.26 -4.81 116.67 115.18 3kl9 s ASP 68 Ca -0.05 1.26 0.05 0.00 -3.30 0.00 0.00 52.55 50.51 3kl9 s ASP 68 Cb 0.11 -2.38 -0.05 0.00 -1.09 0.00 0.00 42.92 39.50 3kl9 s ASP 68 CO 0.84 -0.59 -0.04 -1.83 0.70 0.00 0.00 175.17 174.25 3kl9 s GLU 69 N -4.41 1.34 0.81 2.11 -1.05 -0.39 -4.12 118.70 112.99 3kl9 s GLU 69 Ca 0.53 -1.66 -0.11 0.00 -0.15 0.00 0.00 54.97 53.58 3kl9 s GLU 69 Cb -0.10 -0.78 0.08 0.00 -0.44 0.00 0.00 34.13 32.89 3kl9 s GLU 69 CO 0.40 -0.02 1.13 0.14 0.95 0.00 0.00 175.26 177.86 3kl9 s VAL 70 N -3.28 2.76 -0.75 1.83 -7.23 -1.26 -3.58 120.40 108.88 3kl9 s VAL 70 Ca 0.26 0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 3kl9 s VAL 70 Cb 0.04 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3kl9 s VAL 70 CO 0.08 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 3kl9 n GLY 71 N -0.47 -0.64 3.18 2.32 0.00 -0.50 -4.61 105.19 104.46 3kl9 n GLY 71 Ca 0.11 -0.53 -0.11 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 -3.42 1.02 -0.01 1.61 0.40 -0.22 -1.07 117.98 116.29 3kl9 s PHE 72 Ca 0.00 -1.23 0.01 0.00 -0.60 0.00 0.00 56.93 55.10 3kl9 s PHE 72 Cb 0.00 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.98 3kl9 s PHE 72 CO 0.00 -0.49 -0.02 1.41 0.70 0.00 0.00 175.22 176.82 3kl9 s MET 73 N -4.05 0.25 0.02 0.44 1.75 -0.10 0.79 119.30 118.40 3kl9 s MET 73 Ca 0.28 -0.03 -0.30 0.00 -1.25 0.00 0.00 55.69 54.39 3kl9 s MET 73 Cb 0.07 -0.31 -0.08 0.00 2.84 0.00 0.00 34.83 37.35 3kl9 s MET 73 CO 0.05 -0.01 1.78 0.08 -0.65 0.00 0.00 175.02 176.27 3kl9 s VAL 74 N 0.33 3.16 -0.15 10.11 1.01 -0.45 -0.85 120.40 133.56 3kl9 s VAL 74 Ca -0.03 0.35 0.18 0.00 0.00 0.00 0.00 61.98 62.48 3kl9 s VAL 74 Cb -0.06 -3.23 -0.26 0.00 0.00 0.00 0.00 36.38 32.84 3kl9 s VAL 74 CO -0.01 -0.02 0.24 -1.54 0.00 0.00 0.00 175.10 173.77 3kl9 n SER 75 N 6.81 0.11 -3.49 3.32 3.41 0.32 -0.44 113.62 123.65 3kl9 n SER 75 Ca 0.18 0.05 -0.15 0.00 -0.26 0.00 0.00 58.87 58.68 3kl9 n SER 75 Cb 0.41 1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 65.41 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 -2.75 1.10 -0.24 4.33 -1.05 -1.14 -4.85 118.70 114.11 3kl9 s GLU 76 Ca -0.09 0.01 -0.11 0.00 -0.15 0.00 0.00 54.97 54.63 3kl9 s GLU 76 Cb 0.08 0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 34.23 3kl9 s GLU 76 CO 0.85 -0.40 0.16 0.42 0.95 0.00 0.00 175.26 177.24 3kl9 s ILE 77 N -2.05 5.36 0.61 1.83 1.01 -1.26 -2.49 121.20 124.21 3kl9 s ILE 77 Ca -0.06 0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 3kl9 s ILE 77 Cb -0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3kl9 s ILE 77 CO 0.02 0.35 1.03 -0.54 0.00 0.00 0.00 174.94 175.80 3kl9 s LYS 78 N 1.00 3.53 0.51 2.79 -0.14 -0.08 -4.95 119.74 122.41 3kl9 s LYS 78 Ca 0.08 0.86 0.18 0.00 -1.36 0.00 0.00 55.97 55.72 3kl9 s LYS 78 Cb -0.13 -2.07 1.28 0.00 -1.68 0.00 0.00 37.83 35.22 3kl9 s LYS 78 CO 0.04 -0.62 2.10 -1.35 -0.76 0.00 0.00 175.35 174.75 3kl9 h PRO 79 N -0.10 0.04 0.00 -1.68 0.11 -1.97 -0.30 132.00 128.10 3kl9 h PRO 79 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kl9 h PRO 79 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kl9 h PRO 79 CO 0.61 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3kl9 n ASP 80 N -4.49 0.00 0.00 -2.05 5.75 -1.26 -0.31 116.55 114.19 3kl9 n ASP 80 Ca 0.01 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 3kl9 n ASP 80 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.72 0.67 3.97 6.12 0.00 -0.12 -3.89 105.19 112.67 3kl9 n GLY 81 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.34 2.31 0.12 2.61 -4.23 -1.26 -4.52 115.64 108.32 3kl9 s THR 82 Ca 0.00 -0.54 0.10 0.00 -1.18 0.00 0.00 61.69 60.06 3kl9 s THR 82 Cb 0.00 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3kl9 s THR 82 CO 0.00 0.00 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.48 3kl9 s PHE 83 N -3.07 2.08 0.07 3.99 0.08 0.29 -0.90 117.98 120.52 3kl9 s PHE 83 Ca 0.63 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 57.36 3kl9 s PHE 83 Cb -0.08 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 3kl9 s PHE 83 CO 0.43 0.27 -0.17 1.03 -0.10 0.00 0.00 175.22 176.68 3kl9 s ARG 84 N -1.96 1.98 0.36 0.44 1.81 -1.04 -1.52 118.95 119.01 3kl9 s ARG 84 Ca 0.11 -1.05 0.06 0.00 -1.72 0.00 0.00 55.73 53.12 3kl9 s ARG 84 Cb -0.10 -2.17 -0.07 0.00 -0.45 0.00 0.00 34.95 32.15 3kl9 s ARG 84 CO 0.05 0.52 0.02 0.14 -0.68 0.00 0.00 175.30 175.35 3kl9 s VAL 85 N -1.03 1.62 0.00 3.52 -7.23 -1.26 -0.52 120.40 115.50 3kl9 s VAL 85 Ca 0.16 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.38 3kl9 s VAL 85 Cb -0.11 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 3kl9 s VAL 85 CO 0.08 -0.04 -0.21 0.54 -0.31 0.00 0.00 175.10 175.16 3kl9 s VAL 86 N -2.99 1.66 0.26 1.32 0.11 -0.03 -4.28 120.40 116.44 3kl9 s VAL 86 Ca 0.35 -0.98 -0.29 0.00 -2.93 0.00 0.00 61.98 58.13 3kl9 s VAL 86 Cb 0.09 -1.39 -0.09 0.00 -1.53 0.00 0.00 36.38 33.45 3kl9 s VAL 86 CO 0.16 0.40 0.94 -1.83 -3.33 0.00 0.00 175.10 171.44 3kl9 s GLU 87 N -0.67 4.80 -0.43 1.54 -1.05 -1.26 -0.92 118.70 120.71 3kl9 s GLU 87 Ca 0.08 1.46 -0.05 0.00 -0.15 0.00 0.00 54.97 56.31 3kl9 s GLU 87 Cb -0.08 -3.19 0.11 0.00 -0.44 0.00 0.00 34.13 30.53 3kl9 s GLU 87 CO -0.00 0.47 0.25 0.42 0.95 0.00 0.00 175.26 177.35 3kl9 s ILE 88 N -1.26 3.60 0.00 1.83 1.01 -0.23 -4.88 121.20 121.27 3kl9 s ILE 88 Ca 0.43 -1.94 0.00 0.00 0.00 0.00 0.00 60.65 59.13 3kl9 s ILE 88 Cb -0.25 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3kl9 s ILE 88 CO 0.30 -0.71 0.00 0.61 0.00 0.00 0.00 174.94 175.15 3kl9 n GLY 89 N 4.70 0.85 3.65 6.18 0.00 -1.26 -1.42 105.19 117.90 3kl9 n GLY 89 Ca -0.04 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 3kl9 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 90 N -0.81 1.96 -0.07 -0.02 0.00 -1.26 -4.85 107.32 102.27 3kl9 s GLY 90 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.40 3kl9 s GLY 90 CO 0.00 1.32 -0.20 -0.98 0.00 0.00 0.00 173.10 173.25 3kl9 s TRP 91 N 2.11 2.59 0.01 1.90 0.52 -1.26 -4.94 118.94 119.87 3kl9 s TRP 91 Ca 0.27 -0.55 -0.30 0.00 0.02 0.00 0.00 56.10 55.54 3kl9 s TRP 91 Cb -0.16 -1.66 -0.07 0.00 -1.15 0.00 0.00 33.47 30.43 3kl9 s TRP 91 CO 0.09 -0.10 1.69 1.21 0.02 0.00 0.00 176.95 179.86 3kl9 s ASN 92 N -0.21 6.62 0.00 2.95 3.84 -1.26 -4.88 114.94 121.99 3kl9 s ASN 92 Ca -0.01 2.39 0.08 0.00 0.21 0.00 0.00 52.86 55.54 3kl9 s ASN 92 Cb -0.13 -2.54 0.36 0.00 -0.55 0.00 0.00 41.25 38.39 3kl9 s ASN 92 CO 0.03 -0.92 1.26 -2.65 -2.79 0.00 0.00 177.10 172.03 3kl9 n PRO 93 N 6.57 0.01 0.20 0.43 -0.02 -1.26 -1.80 135.00 139.13 3kl9 n PRO 93 Ca 0.17 0.35 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 3kl9 n PRO 93 Cb 0.42 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.72 3kl9 n PRO 93 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3kl9 h MET 94 N 0.00 0.00 -0.01 -0.52 2.86 -1.93 -3.28 114.93 112.06 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 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3kl9 h MET 94 CO 0.00 0.00 -0.78 1.33 1.06 0.00 0.00 176.91 178.52 3kl9 n VAL 95 N -2.90 0.00 0.06 -2.22 0.24 -0.75 -4.59 118.33 108.17 3kl9 n VAL 95 Ca 0.04 -0.11 -0.07 0.00 -2.04 0.00 0.00 64.34 62.16 3kl9 n VAL 95 Cb 0.45 1.09 -0.12 0.00 -1.47 0.00 0.00 33.84 33.80 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 0.89 1.67 -4.04 3.34 2.07 -1.65 -3.47 116.25 115.07 3kl9 h VAL 96 Ca 0.00 -3.39 -0.49 0.00 0.82 0.00 0.00 66.70 63.64 3kl9 h VAL 96 Cb 0.58 2.82 0.05 0.00 -1.52 0.00 0.00 31.29 33.22 3kl9 h VAL 96 CO 0.00 0.95 0.43 -0.44 0.02 0.00 0.00 177.57 178.53 3kl9 s SER 97 N -6.67 6.20 -1.07 0.57 0.01 -1.26 -4.08 113.70 107.39 3kl9 s SER 97 Ca 0.01 2.12 -0.16 0.00 1.31 0.00 0.00 55.95 59.23 3kl9 s SER 97 Cb 0.10 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 3kl9 s SER 97 CO 0.82 -0.89 0.80 -1.20 0.41 0.00 0.00 173.24 173.18 3kl9 n SER 98 N -0.77 -5.71 -4.09 2.44 7.64 -1.01 -4.99 113.62 107.13 3kl9 n SER 98 Ca 0.09 -0.90 -0.17 0.00 1.01 0.00 0.00 58.87 58.90 3kl9 n SER 98 Cb 0.50 -3.70 -0.13 0.00 -1.01 0.00 0.00 64.21 59.87 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 -5.45 0.70 0.13 1.43 -1.52 -1.24 -4.94 119.66 108.78 3kl9 s GLN 99 Ca 0.41 -0.70 -0.17 0.00 -1.95 0.00 0.00 55.36 52.95 3kl9 s GLN 99 Cb -0.13 -0.62 -0.07 0.00 -0.22 0.00 0.00 33.01 31.97 3kl9 s GLN 99 CO 0.84 0.14 0.59 1.03 -0.25 0.00 0.00 175.29 177.63 3kl9 s ARG 100 N -1.22 4.10 0.14 2.91 0.52 -1.26 -1.68 118.95 122.47 3kl9 s ARG 100 Ca -0.03 0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 55.79 3kl9 s ARG 100 Cb -0.08 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 3kl9 s ARG 100 CO 0.01 0.52 0.12 -0.06 0.02 0.00 0.00 175.30 175.92 3kl9 s PHE 101 N -1.35 0.76 -0.17 -0.53 0.08 0.51 -0.53 117.98 116.76 3kl9 s PHE 101 Ca 0.35 -1.12 0.01 0.00 0.12 0.00 0.00 56.93 56.30 3kl9 s PHE 101 Cb -0.17 -0.37 0.01 0.00 -0.57 0.00 0.00 43.02 41.93 3kl9 s PHE 101 CO 0.19 -0.58 -0.20 0.15 -0.10 0.00 0.00 175.22 174.68 3kl9 s LYS 102 N -4.03 3.03 0.04 0.44 1.02 0.14 -2.29 119.74 118.09 3kl9 s LYS 102 Ca 0.23 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 55.15 3kl9 s LYS 102 Cb 0.06 -2.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 3kl9 s LYS 102 CO 0.02 -0.12 0.77 -1.17 -0.92 0.00 0.00 175.35 173.93 3kl9 s LEU 103 N 1.09 4.45 -0.34 3.17 0.20 0.44 -1.15 118.68 126.55 3kl9 s LEU 103 Ca -0.00 1.46 -0.07 0.00 0.69 0.00 0.00 54.13 56.20 3kl9 s LEU 103 Cb -0.14 -3.24 0.03 0.00 -0.43 0.00 0.00 46.19 42.40 3kl9 s LEU 103 CO -0.08 0.01 0.12 -0.76 -0.29 0.00 0.00 176.35 175.35 3kl9 s LEU 104 N -0.02 4.29 0.43 -0.68 1.02 -0.42 -1.39 118.68 121.90 3kl9 s LEU 104 Ca 0.39 -1.00 -0.15 0.00 0.02 0.00 0.00 54.13 53.39 3kl9 s LEU 104 Cb -0.21 -1.91 -0.08 0.00 0.02 0.00 0.00 46.19 44.02 3kl9 s LEU 104 CO 0.23 -0.31 0.86 -0.89 0.02 0.00 0.00 176.35 176.27 3kl9 s THR 105 N 1.46 4.61 0.15 5.49 2.01 -0.49 -3.89 115.64 124.99 3kl9 s THR 105 Ca 0.00 1.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.90 3kl9 s THR 105 Cb -0.19 -3.68 0.03 0.00 0.01 0.00 0.00 72.50 68.68 3kl9 s THR 105 CO 0.04 -0.46 1.71 -0.09 -0.69 0.00 0.00 174.62 175.12 3kl9 h ARG 106 N 1.49 0.74 0.00 4.92 2.43 -1.89 -0.68 114.38 121.38 3kl9 h ARG 106 Ca -0.48 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3kl9 h ARG 106 Cb 1.18 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3kl9 h ARG 106 CO 0.63 0.65 0.00 -0.40 -1.51 0.00 0.00 179.97 179.34 3kl9 n ASP 107 N -4.57 0.00 -0.09 -3.80 5.68 -1.26 -4.87 116.55 107.65 3kl9 n ASP 107 Ca 0.02 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 3kl9 n ASP 107 Cb 0.15 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.32 0.74 3.81 6.12 0.00 -0.26 -5.07 105.19 110.86 3kl9 n GLY 108 Ca 0.05 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.17 3.56 -0.60 1.61 3.76 -1.26 -4.90 115.29 115.28 3kl9 s HIS 109 Ca 0.00 1.48 -0.00 0.00 -0.15 0.00 0.00 55.06 56.39 3kl9 s HIS 109 Cb 0.00 -2.71 0.15 0.00 1.11 0.00 0.00 32.58 31.13 3kl9 s HIS 109 CO 0.00 0.19 0.39 -1.21 -0.85 0.00 0.00 174.74 173.27 3kl9 s GLU 110 N -2.37 2.39 -0.08 1.40 2.02 -1.26 -1.39 118.70 119.40 3kl9 s GLU 110 Ca 0.50 -2.64 -0.16 0.00 0.02 0.00 0.00 54.97 52.69 3kl9 s GLU 110 Cb -0.15 -3.58 -0.05 0.00 0.10 0.00 0.00 34.13 30.45 3kl9 s GLU 110 CO 0.20 -1.16 0.41 0.96 0.02 0.00 0.00 175.26 175.69 3kl9 s ILE 111 N -0.27 5.15 -0.05 -1.63 -5.25 -0.49 -4.86 121.20 113.81 3kl9 s ILE 111 Ca 0.18 0.83 -0.30 0.00 -0.99 0.00 0.00 60.65 60.37 3kl9 s ILE 111 Cb -0.21 -3.74 -0.06 0.00 2.95 0.00 0.00 42.46 41.39 3kl9 s ILE 111 CO -0.03 0.43 1.76 -2.84 -1.79 0.00 0.00 174.94 172.47 3kl9 s PRO 112 N -0.05 4.11 -0.02 0.37 0.02 -1.26 -0.42 135.00 137.74 3kl9 s PRO 112 Ca 0.23 2.26 0.05 0.00 0.02 0.00 0.00 61.00 63.56 3kl9 s PRO 112 Cb -0.15 -4.05 -0.01 0.00 0.02 0.00 0.00 34.50 30.31 3kl9 s PRO 112 CO 0.10 -0.95 -0.16 0.08 -0.33 0.00 0.00 177.00 175.74 3kl9 s VAL 113 N 4.39 1.27 0.19 3.83 1.01 -0.97 -4.49 120.40 125.63 3kl9 s VAL 113 Ca 0.78 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 62.20 3kl9 s VAL 113 Cb -0.35 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3kl9 s VAL 113 CO 0.33 0.36 -0.23 0.27 0.00 0.00 0.00 175.10 175.83 3kl9 s ILE 114 N -0.23 2.27 0.14 2.22 -4.36 0.06 -0.36 121.20 120.93 3kl9 s ILE 114 Ca 0.03 -2.02 -0.12 0.00 -0.26 0.00 0.00 60.65 58.28 3kl9 s ILE 114 Cb -0.08 -2.08 -0.07 0.00 1.25 0.00 0.00 42.46 41.49 3kl9 s ILE 114 CO 0.00 -0.15 0.51 -0.94 0.24 0.00 0.00 174.94 174.60 3kl9 s SER 115 N -2.68 6.75 -0.03 4.36 1.04 -0.67 0.43 113.70 122.90 3kl9 s SER 115 Ca 0.20 0.98 -0.00 0.00 0.48 0.00 0.00 55.95 57.60 3kl9 s SER 115 Cb -0.08 -2.25 -0.00 0.00 0.10 0.00 0.00 66.02 63.80 3kl9 s SER 115 CO 0.09 0.10 -0.00 1.23 0.98 0.00 0.00 173.24 175.64 3kl9 h GLY 116 N 3.49 0.00 0.00 7.32 0.00 -0.96 -2.68 103.07 110.24 3kl9 h GLY 116 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3kl9 h GLY 116 CO 0.66 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.65 3kl9 n PRO 132 N -2.76 0.00 -3.38 4.80 -0.04 -1.26 -4.47 135.00 127.89 3kl9 n PRO 132 Ca -0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 3kl9 n PRO 132 Cb 0.01 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.41 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 3.61 0.40 0.55 0.00 -1.26 -4.91 121.76 120.16 3kl9 s ALA 133 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 51.91 3kl9 s ALA 133 Cb 0.00 -2.51 0.87 0.00 0.00 0.00 0.00 23.12 21.49 3kl9 s ALA 133 CO 0.00 0.46 2.02 0.82 0.00 0.00 0.00 175.76 179.05 3kl9 h ILE 134 N 3.06 1.04 0.00 0.00 2.04 -1.95 -1.65 117.51 120.05 3kl9 h ILE 134 Ca -0.49 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3kl9 h ILE 134 Cb 1.20 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3kl9 h ILE 134 CO 0.65 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.90 3kl9 n ALA 135 N -2.48 1.59 0.50 1.87 0.00 -1.26 -2.28 120.51 118.45 3kl9 n ALA 135 Ca 0.06 0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.69 3kl9 n ALA 135 Cb 0.17 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 3kl9 n ALA 135 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kl9 n ASP 136 N -2.18 0.60 -4.70 0.00 8.00 -0.63 -4.63 116.55 113.02 3kl9 n ASP 136 Ca 0.02 -0.52 -0.42 0.00 0.71 0.00 0.00 54.79 54.58 3kl9 n ASP 136 Cb 0.20 1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 42.73 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 -3.17 3.01 0.01 0.53 1.01 -0.97 -4.96 121.20 116.67 3kl9 s ILE 137 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 3kl9 s ILE 137 Cb 0.14 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 3kl9 s ILE 137 CO 0.85 0.01 1.24 -0.69 0.00 0.00 0.00 174.94 176.35 3kl9 s VAL 138 N 2.23 4.03 -0.14 2.92 1.01 -1.26 -4.59 120.40 124.59 3kl9 s VAL 138 Ca 0.72 1.42 -0.03 0.00 0.00 0.00 0.00 61.98 64.08 3kl9 s VAL 138 Cb -0.40 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3kl9 s VAL 138 CO 0.31 0.05 -0.03 -0.36 0.00 0.00 0.00 175.10 175.08 3kl9 s PHE 139 N 1.69 3.04 -0.09 5.22 0.40 -0.58 -0.25 117.98 127.42 3kl9 s PHE 139 Ca 0.59 -0.18 -0.00 0.00 -0.60 0.00 0.00 56.93 56.74 3kl9 s PHE 139 Cb -0.28 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.35 3kl9 s PHE 139 CO 0.26 0.08 -0.06 0.34 0.70 0.00 0.00 175.22 176.54 3kl9 s ASP 140 N 0.07 1.85 0.00 1.36 3.68 0.17 -0.54 116.67 123.25 3kl9 s ASP 140 Ca 0.00 -0.23 0.08 0.00 2.13 0.00 0.00 52.55 54.53 3kl9 s ASP 140 Cb -0.13 -0.70 0.23 0.00 -1.45 0.00 0.00 42.92 40.87 3kl9 s ASP 140 CO 0.03 -0.11 1.18 0.61 0.13 0.00 0.00 175.17 177.00 3kl9 n GLY 141 N 4.75 2.69 2.38 2.66 0.00 -1.26 -0.76 105.19 115.65 3kl9 n GLY 141 Ca -0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 0.28 0.07 3.93 -0.02 0.00 -1.26 -4.92 105.19 103.27 3kl9 n GLY 142 Ca 0.09 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.85 3.48 0.12 1.61 0.40 -1.26 -5.03 117.98 114.45 3kl9 s PHE 143 Ca 0.15 0.32 -0.00 0.00 -0.60 0.00 0.00 56.93 56.80 3kl9 s PHE 143 Cb -0.07 -1.84 -0.16 0.00 0.51 0.00 0.00 43.02 41.46 3kl9 s PHE 143 CO 0.19 0.31 1.26 0.00 0.70 0.00 0.00 175.22 177.68 3kl9 h ALA 144 N 1.59 0.30 -2.54 5.36 0.00 -1.90 -3.44 119.26 118.63 3kl9 h ALA 144 Ca -0.49 -0.82 0.14 0.00 0.00 0.00 0.00 54.91 53.75 3kl9 h ALA 144 Cb 1.20 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3kl9 h ALA 144 CO 0.65 0.99 0.51 0.16 0.00 0.00 0.00 179.25 181.56 3kl9 s ASP 145 N -7.00 -0.05 0.27 0.00 3.84 -1.25 -4.58 116.67 107.91 3kl9 s ASP 145 Ca -0.03 -0.66 0.01 0.00 -0.00 0.00 0.00 52.55 51.87 3kl9 s ASP 145 Cb 0.09 0.54 0.59 0.00 -1.38 0.00 0.00 42.92 42.76 3kl9 s ASP 145 CO 0.85 -1.06 1.75 0.50 -0.00 0.00 0.00 175.17 177.22 3kl9 h LYS 146 N 2.00 0.57 -0.66 2.11 3.64 -0.74 -1.99 116.57 121.51 3kl9 h LYS 146 Ca -0.27 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 3kl9 h LYS 146 Cb 1.23 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 3kl9 h LYS 146 CO 0.33 0.38 0.34 0.00 -2.27 0.00 0.00 179.45 178.24 3kl9 h ALA 147 N 1.60 0.84 -0.59 5.00 0.00 -1.91 -1.88 119.26 122.32 3kl9 h ALA 147 Ca 0.49 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 3kl9 h ALA 147 Cb 0.76 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kl9 h ALA 147 CO -0.40 0.38 0.02 1.49 0.00 0.00 0.00 179.25 180.74 3kl9 h GLU 148 N 0.90 1.03 -0.63 0.00 4.81 -1.78 -0.21 114.58 118.69 3kl9 h GLU 148 Ca 0.23 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3kl9 h GLU 148 Cb 0.07 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3kl9 h GLU 148 CO -0.03 1.00 0.23 0.00 -0.73 0.00 0.00 179.01 179.48 3kl9 h ALA 149 N 0.99 0.83 0.00 2.92 0.00 -1.36 -2.14 119.26 120.50 3kl9 h ALA 149 Ca 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3kl9 h ALA 149 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kl9 h ALA 149 CO 0.03 0.47 -0.23 0.93 0.00 0.00 0.00 179.25 180.44 3kl9 h GLU 150 N 0.90 0.00 0.00 0.00 5.08 -1.08 -1.96 114.58 117.52 3kl9 h GLU 150 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3kl9 h GLU 150 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3kl9 h GLU 150 CO -0.01 0.23 0.00 0.66 -1.00 0.00 0.00 179.01 178.89 3kl9 h SER 151 N 0.00 0.00 -0.68 1.42 4.64 -0.37 -2.35 113.55 116.22 3kl9 h SER 151 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 3kl9 h SER 151 Cb 0.51 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.45 3kl9 h SER 151 CO 0.03 0.00 0.31 0.49 -0.87 0.00 0.00 176.83 176.79 3kl9 n PHE 152 N -2.40 2.19 -1.00 4.77 3.01 -0.75 -4.90 117.46 118.38 3kl9 n PHE 152 Ca 0.03 -1.18 0.00 0.00 1.01 0.00 0.00 57.45 57.31 3kl9 n PHE 152 Cb 0.33 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 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 -0.28 0.24 3.73 1.37 0.00 -0.88 -4.90 105.19 104.48 3kl9 n GLY 153 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.49 4.29 0.04 -0.61 1.01 -1.12 -4.28 121.20 119.05 3kl9 s ILE 154 Ca 0.00 1.95 -0.02 0.00 0.00 0.00 0.00 60.65 62.57 3kl9 s ILE 154 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 3kl9 s ILE 154 CO 0.00 0.32 0.02 -0.13 0.00 0.00 0.00 174.94 175.15 3kl9 s ARG 155 N -0.18 0.56 0.23 2.79 1.81 -1.26 -4.29 118.95 118.61 3kl9 s ARG 155 Ca 0.47 -0.96 -0.32 0.00 -1.72 0.00 0.00 55.73 53.21 3kl9 s ARG 155 Cb -0.25 0.20 -0.13 0.00 -0.45 0.00 0.00 34.95 34.33 3kl9 s ARG 155 CO 0.31 -0.12 1.59 -2.30 -0.68 0.00 0.00 175.30 174.10 3kl9 n PRO 156 N 0.57 2.45 0.00 3.54 -0.02 -1.26 -2.37 135.00 137.91 3kl9 n PRO 156 Ca -0.17 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3kl9 n PRO 156 Cb 0.59 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 2.93 2.38 3.66 -1.23 0.00 0.41 -5.01 105.19 108.34 3kl9 n GLY 157 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 2.49 -4.86 1.61 9.92 -1.00 -4.64 116.55 120.07 3kl9 n ASP 158 Ca 0.00 1.17 -0.31 0.00 -0.53 0.00 0.00 54.79 55.11 3kl9 n ASP 158 Cb 0.00 -1.42 -0.05 0.00 -0.64 0.00 0.00 41.12 39.01 3kl9 n ASP 158 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3kl9 s THR 159 N -0.55 4.79 -0.22 -3.53 -4.23 -1.25 -1.34 115.64 109.29 3kl9 s THR 159 Ca 0.63 0.70 0.01 0.00 -1.18 0.00 0.00 61.69 61.85 3kl9 s THR 159 Cb -0.64 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 69.60 3kl9 s THR 159 CO 0.55 -0.25 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.66 3kl9 s ILE 160 N -2.05 1.70 -0.16 2.99 1.01 0.24 -1.30 121.20 123.62 3kl9 s ILE 160 Ca 0.51 -1.21 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 3kl9 s ILE 160 Cb -0.10 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3kl9 s ILE 160 CO 0.23 0.03 0.06 -0.69 0.00 0.00 0.00 174.94 174.56 3kl9 s VAL 161 N 1.34 4.75 0.45 2.92 1.01 -0.30 -1.06 120.40 129.51 3kl9 s VAL 161 Ca -0.04 -0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 3kl9 s VAL 161 Cb -0.18 -3.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.97 3kl9 s VAL 161 CO -0.07 0.49 0.57 -2.65 0.00 0.00 0.00 175.10 173.45 3kl9 n PRO 162 N 3.22 0.62 -3.84 2.72 -0.02 -1.26 0.25 135.00 136.69 3kl9 n PRO 162 Ca -0.17 0.23 -0.36 0.00 -2.02 0.00 0.00 63.50 61.18 3kl9 n PRO 162 Cb 0.53 -1.58 -0.13 0.00 -0.02 0.00 0.00 33.50 32.30 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 -0.97 5.08 -0.29 2.55 2.15 0.31 -4.57 116.67 120.93 3kl9 s ASP 163 Ca 0.64 -1.48 -0.09 0.00 0.43 0.00 0.00 52.55 52.05 3kl9 s ASP 163 Cb -0.57 -1.77 0.13 0.00 -0.30 0.00 0.00 42.92 40.41 3kl9 s ASP 163 CO 0.57 -0.36 0.63 -0.55 -0.17 0.00 0.00 175.17 175.30 3kl9 s SER 164 N 1.45 -1.11 0.74 -0.34 0.15 -1.26 -4.67 113.70 108.65 3kl9 s SER 164 Ca -0.01 1.48 -0.12 0.00 0.70 0.00 0.00 55.95 58.01 3kl9 s SER 164 Cb -0.21 2.24 0.03 0.00 -1.71 0.00 0.00 66.02 66.37 3kl9 s SER 164 CO -0.01 -0.22 1.11 -0.94 1.20 0.00 0.00 173.24 174.37 3kl9 s SER 165 N 2.88 5.17 -0.20 5.45 1.04 -1.26 -4.40 113.70 122.38 3kl9 s SER 165 Ca -0.03 1.10 -0.10 0.00 0.48 0.00 0.00 55.95 57.39 3kl9 s SER 165 Cb -0.12 -1.84 -0.05 0.00 0.10 0.00 0.00 66.02 64.11 3kl9 s SER 165 CO -0.19 -1.52 0.14 0.00 0.98 0.00 0.00 173.24 172.65 3kl9 s ALA 166 N -3.37 3.68 0.00 5.32 0.00 -1.26 -4.39 121.76 121.75 3kl9 s ALA 166 Ca 0.59 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.87 3kl9 s ALA 166 Cb -0.11 -2.18 -0.00 0.00 0.00 0.00 0.00 23.12 20.82 3kl9 s ALA 166 CO 0.52 0.15 -0.02 0.96 0.00 0.00 0.00 175.76 177.36 3kl9 s ILE 167 N 0.38 0.16 0.31 0.00 -4.36 0.44 -4.98 121.20 113.15 3kl9 s ILE 167 Ca 0.08 -0.20 -0.29 0.00 -0.26 0.00 0.00 60.65 59.98 3kl9 s ILE 167 Cb -0.11 -0.16 -0.10 0.00 1.25 0.00 0.00 42.46 43.34 3kl9 s ILE 167 CO -0.02 -0.03 1.31 -0.76 0.24 0.00 0.00 174.94 175.68 3kl9 s LEU 168 N -0.24 4.43 0.94 0.37 1.02 -1.26 -0.14 118.68 123.80 3kl9 s LEU 168 Ca -0.01 2.64 -0.12 0.00 0.02 0.00 0.00 54.13 56.65 3kl9 s LEU 168 Cb -0.02 -3.64 0.16 0.00 0.02 0.00 0.00 46.19 42.70 3kl9 s LEU 168 CO -0.00 -0.53 1.12 0.42 0.02 0.00 0.00 176.35 177.38 3kl9 s THR 169 N -0.92 2.06 0.24 5.49 -4.23 -0.37 -4.87 115.64 113.04 3kl9 s THR 169 Ca 0.50 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.98 3kl9 s THR 169 Cb -0.39 -2.67 0.21 0.00 1.34 0.00 0.00 72.50 70.99 3kl9 s THR 169 CO 0.50 -0.02 1.71 0.00 -0.54 0.00 0.00 174.62 176.27 3kl9 h ALA 170 N -1.64 0.98 -0.00 3.99 0.00 -1.97 0.17 119.26 120.79 3kl9 h ALA 170 Ca -0.52 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3kl9 h ALA 170 Cb 1.33 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3kl9 h ALA 170 CO 0.60 -0.26 -0.03 0.27 0.00 0.00 0.00 179.25 179.83 3kl9 n ASN 171 N -5.07 0.16 -0.79 0.00 0.23 -1.26 -4.90 115.26 103.63 3kl9 n ASN 171 Ca 0.13 -0.45 -0.10 0.00 -0.53 0.00 0.00 54.58 53.63 3kl9 n ASN 171 Cb 0.42 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 37.91 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 -1.12 -1.20 -0.00 -3.83 1.02 0.05 -4.82 120.64 110.74 3kl9 n GLU 172 Ca 0.16 0.82 0.11 0.00 -0.02 0.00 0.00 57.16 58.23 3kl9 n GLU 172 Cb 0.23 -4.95 -0.14 0.00 -0.02 0.00 0.00 31.44 26.55 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 -1.72 0.54 -4.41 3.49 4.76 -1.26 -4.91 118.16 114.63 3kl9 n LYS 173 Ca -0.10 -0.14 -0.21 0.00 -2.87 0.00 0.00 58.31 54.99 3kl9 n LYS 173 Cb 0.46 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 32.01 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 -4.29 2.81 0.03 4.39 0.01 -1.26 -2.47 114.94 114.15 3kl9 s ASN 174 Ca -0.05 -1.13 0.07 0.00 -0.71 0.00 0.00 52.86 51.04 3kl9 s ASN 174 Cb 0.14 -0.18 -0.02 0.00 0.41 0.00 0.00 41.25 41.60 3kl9 s ASN 174 CO 0.89 -0.26 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.39 3kl9 s ILE 175 N -2.95 1.61 -0.19 0.60 1.01 -0.12 -1.23 121.20 119.92 3kl9 s ILE 175 Ca 0.28 -1.08 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 3kl9 s ILE 175 Cb 0.02 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3kl9 s ILE 175 CO 0.11 0.27 -0.04 -0.63 0.00 0.00 0.00 174.94 174.65 3kl9 s ILE 176 N -0.70 3.64 0.35 2.92 1.01 0.81 -2.40 121.20 126.83 3kl9 s ILE 176 Ca 0.07 -0.42 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 3kl9 s ILE 176 Cb -0.08 -2.63 0.04 0.00 0.01 0.00 0.00 42.46 39.80 3kl9 s ILE 176 CO 0.01 0.45 0.76 -0.94 0.00 0.00 0.00 174.94 175.21 3kl9 s SER 177 N 0.97 -0.05 0.61 3.58 1.04 -0.75 -0.42 113.70 118.69 3kl9 s SER 177 Ca 0.00 -0.99 -0.04 0.00 0.48 0.00 0.00 55.95 55.40 3kl9 s SER 177 Cb -0.15 0.81 0.03 0.00 0.10 0.00 0.00 66.02 66.81 3kl9 s SER 177 CO 0.01 -1.57 0.89 -1.59 0.98 0.00 0.00 173.24 171.96 3kl9 s LYS 178 N -2.84 2.59 -1.43 4.02 -2.85 -1.22 -0.44 119.74 117.57 3kl9 s LYS 178 Ca 0.15 -0.31 -0.03 0.00 -1.00 0.00 0.00 55.97 54.77 3kl9 s LYS 178 Cb -0.05 -2.31 0.02 0.00 -2.06 0.00 0.00 37.83 33.43 3kl9 s LYS 178 CO 0.10 -0.86 0.29 0.00 0.10 0.00 0.00 175.35 174.99 3kl9 n ALA 179 N -2.61 -0.86 0.20 0.59 0.00 -1.26 -4.80 120.51 111.77 3kl9 n ALA 179 Ca 0.06 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.72 3kl9 n ALA 179 Cb 0.59 -2.69 0.41 0.00 0.00 0.00 0.00 19.45 17.76 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 -0.64 0.00 -3.10 0.00 -0.00 -1.93 -0.28 115.95 109.99 3kl9 h TRP 180 Ca -0.44 0.00 -0.67 0.00 -0.00 0.00 0.00 58.89 57.78 3kl9 h TRP 180 Cb 1.31 0.00 -0.17 0.00 -0.00 0.00 0.00 29.16 30.31 3kl9 h TRP 180 CO 0.61 0.33 0.22 0.34 -0.00 0.00 0.00 178.44 179.94 3kl9 s ASP 181 N -6.76 6.23 -0.40 2.65 2.15 -1.26 -2.13 116.67 117.14 3kl9 s ASP 181 Ca -0.02 -0.93 0.12 0.00 0.43 0.00 0.00 52.55 52.14 3kl9 s ASP 181 Cb 0.14 -2.33 0.40 0.00 -0.30 0.00 0.00 42.92 40.82 3kl9 s ASP 181 CO 0.70 -1.07 0.91 -3.20 -0.17 0.00 0.00 175.17 172.35 3kl9 n ASN 182 N 6.63 2.36 0.13 -0.34 4.05 -1.20 -4.66 115.26 122.23 3kl9 n ASN 182 Ca -0.05 -3.15 0.13 0.00 0.45 0.00 0.00 54.58 51.95 3kl9 n ASN 182 Cb 0.45 -0.55 0.32 0.00 1.23 0.00 0.00 39.78 41.23 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 2.92 0.00 -0.49 1.20 2.47 -0.79 -2.86 114.38 116.84 3kl9 h ARG 183 Ca 0.07 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.89 3kl9 h ARG 183 Cb 0.96 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.18 3kl9 h ARG 183 CO 0.62 0.00 -0.25 -0.92 0.56 0.00 0.00 179.97 179.98 3kl9 h TYR 184 N 0.00 -0.64 -0.03 3.04 5.03 -1.63 -0.96 116.97 121.79 3kl9 h TYR 184 Ca 0.00 0.06 -0.16 0.00 2.58 0.00 0.00 58.73 61.21 3kl9 h TYR 184 Cb 0.81 0.35 -0.02 0.00 1.55 0.00 0.00 36.73 39.43 3kl9 h TYR 184 CO 0.00 -0.32 -0.69 0.78 -1.32 0.00 0.00 178.16 176.61 3kl9 h GLY 185 N -0.14 0.15 0.87 1.82 0.00 -1.74 0.74 103.07 104.77 3kl9 h GLY 185 Ca 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3kl9 h GLY 185 CO -0.57 0.19 0.06 -2.08 0.00 0.00 0.00 176.54 174.13 3kl9 h VAL 186 N 0.09 1.21 -0.31 4.60 2.07 -1.35 -1.03 116.25 121.53 3kl9 h VAL 186 Ca -0.01 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 3kl9 h VAL 186 Cb 1.23 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3kl9 h VAL 186 CO 0.10 0.22 -0.05 0.25 0.02 0.00 0.00 177.57 178.10 3kl9 h LEU 187 N 0.21 0.59 -0.68 2.57 6.46 -1.10 -2.64 115.31 120.72 3kl9 h LEU 187 Ca 0.07 -0.35 0.11 0.00 -0.12 0.00 0.00 57.88 57.60 3kl9 h LEU 187 Cb 0.28 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 39.97 3kl9 h LEU 187 CO 0.00 0.80 0.26 -0.03 -0.62 0.00 0.00 178.44 178.86 3kl9 h MET 188 N 0.37 0.42 -0.50 1.25 4.05 -0.68 0.16 114.93 120.01 3kl9 h MET 188 Ca 0.08 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 3kl9 h MET 188 Cb 0.53 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 3kl9 h MET 188 CO 0.03 0.28 0.01 0.28 0.23 0.00 0.00 176.91 177.74 3kl9 h VAL 189 N 0.44 1.26 -0.50 -5.77 2.07 -1.14 -1.26 116.25 111.35 3kl9 h VAL 189 Ca 0.35 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 3kl9 h VAL 189 Cb 0.48 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3kl9 h VAL 189 CO -0.35 0.37 0.11 -1.28 0.02 0.00 0.00 177.57 176.45 3kl9 h SER 190 N 0.74 0.77 0.07 0.57 0.87 -0.94 -1.65 113.55 113.99 3kl9 h SER 190 Ca 0.14 -0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.37 3kl9 h SER 190 Cb 0.50 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3kl9 h SER 190 CO 0.02 0.81 -0.29 -0.33 -0.53 0.00 0.00 176.83 176.51 3kl9 h GLU 191 N 0.70 0.34 -0.70 2.24 4.39 -0.65 -2.70 114.58 118.19 3kl9 h GLU 191 Ca 0.16 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 3kl9 h GLU 191 Cb 0.35 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 3kl9 h GLU 191 CO 0.00 0.60 0.23 1.25 -1.16 0.00 0.00 179.01 179.94 3kl9 h LEU 192 N 0.30 1.00 -0.26 1.33 6.46 -0.98 -2.19 115.31 120.97 3kl9 h LEU 192 Ca 0.04 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 3kl9 h LEU 192 Cb 0.67 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 3kl9 h LEU 192 CO 0.05 0.93 0.04 0.00 -0.62 0.00 0.00 178.44 178.84 3kl9 h ALA 193 N 1.11 0.34 0.21 1.25 0.00 -0.99 -2.49 119.26 118.68 3kl9 h ALA 193 Ca 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kl9 h ALA 193 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kl9 h ALA 193 CO -0.01 0.03 -0.10 1.49 0.00 0.00 0.00 179.25 180.66 3kl9 h GLU 194 N 0.24 -0.27 0.00 0.00 4.81 -1.52 -2.44 114.58 115.40 3kl9 h GLU 194 Ca 0.08 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kl9 h GLU 194 Cb 0.34 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3kl9 h GLU 194 CO 0.01 -0.04 -0.02 0.00 -0.73 0.00 0.00 179.01 178.23 3kl9 h ALA 195 N 0.29 1.07 -0.02 2.92 0.00 -1.40 -1.65 119.26 120.47 3kl9 h ALA 195 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kl9 h ALA 195 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kl9 h ALA 195 CO 0.05 0.02 -0.39 1.28 0.00 0.00 0.00 179.25 180.21 3kl9 n LEU 196 N -3.20 1.97 -0.35 0.00 4.32 -0.94 -4.52 117.00 114.28 3kl9 n LEU 196 Ca -0.02 -0.70 0.11 0.00 -0.02 0.00 0.00 56.01 55.38 3kl9 n LEU 196 Cb 0.16 -0.02 0.29 0.00 -1.62 0.00 0.00 43.42 42.23 3kl9 n LEU 196 CO 0.24 0.36 1.19 -1.28 -1.22 0.00 0.00 177.39 176.68 3kl9 h SER 197 N 2.48 0.80 -0.54 -1.43 0.87 -0.80 0.17 113.55 115.10 3kl9 h SER 197 Ca 0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3kl9 h SER 197 Cb 0.74 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 3kl9 h SER 197 CO 0.00 0.32 0.00 0.61 -0.53 0.00 0.00 176.83 177.23 3kl9 n GLY 198 N -1.33 1.65 3.72 5.77 0.00 -1.26 -4.94 105.19 108.80 3kl9 n GLY 198 Ca 0.22 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 3kl9 n GLY 198 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kl9 s GLN 199 N -1.34 2.93 -0.11 1.61 -1.52 0.05 -5.11 119.66 116.16 3kl9 s GLN 199 Ca 0.37 -0.53 -0.02 0.00 -1.95 0.00 0.00 55.36 53.23 3kl9 s GLN 199 Cb 0.20 -2.77 -0.03 0.00 -0.22 0.00 0.00 33.01 30.19 3kl9 s GLN 199 CO 0.24 0.65 -0.03 -1.59 -0.25 0.00 0.00 175.29 174.30 3kl9 s LYS 200 N -1.52 3.23 0.07 2.91 -2.85 -1.26 -5.01 119.74 115.31 3kl9 s LYS 200 Ca 0.20 -0.49 0.08 0.00 -1.00 0.00 0.00 55.97 54.75 3kl9 s LYS 200 Cb -0.12 -2.80 -0.04 0.00 -2.06 0.00 0.00 37.83 32.82 3kl9 s LYS 200 CO 0.10 0.49 -0.17 -0.51 0.10 0.00 0.00 175.35 175.36 3kl9 s LEU 201 N -0.31 2.70 0.00 2.77 1.43 -1.26 -5.01 118.68 119.00 3kl9 s LEU 201 Ca 0.05 -0.47 0.20 0.00 -1.03 0.00 0.00 54.13 52.89 3kl9 s LEU 201 Cb -0.12 -1.57 1.14 0.00 0.03 0.00 0.00 46.19 45.67 3kl9 s LEU 201 CO 0.02 0.22 1.74 0.61 0.23 0.00 0.00 176.35 179.17 3kl9 n GLY 202 N 1.18 -0.84 3.33 -3.19 0.00 -1.26 -4.45 105.19 99.96 3kl9 n GLY 202 Ca -0.16 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 3kl9 n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kl9 s ASN 203 N -1.62 2.78 -0.58 1.61 2.20 -1.21 -4.07 114.94 114.05 3kl9 s ASN 203 Ca 0.30 -0.78 -0.24 0.00 -0.94 0.00 0.00 52.86 51.20 3kl9 s ASN 203 Cb 0.14 -0.17 0.05 0.00 -2.00 0.00 0.00 41.25 39.27 3kl9 s ASN 203 CO 0.24 0.04 0.97 -0.70 -2.94 0.00 0.00 177.10 174.70 3kl9 s GLU 204 N -2.36 3.28 -0.14 3.55 2.56 -0.08 -4.48 118.70 121.02 3kl9 s GLU 204 Ca 0.12 -0.38 -0.17 0.00 0.00 0.00 0.00 54.97 54.54 3kl9 s GLU 204 Cb -0.08 -4.10 -0.04 0.00 2.00 0.00 0.00 34.13 31.91 3kl9 s GLU 204 CO 0.06 -1.59 0.44 -1.17 -0.56 0.00 0.00 175.26 172.44 3kl9 s LEU 205 N 4.08 4.24 -0.19 2.70 2.96 -1.04 -0.54 118.68 130.90 3kl9 s LEU 205 Ca 0.29 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 54.89 3kl9 s LEU 205 Cb -0.13 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 3kl9 s LEU 205 CO 0.17 -0.01 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.80 3kl9 s TYR 206 N 0.80 2.91 -0.15 5.38 1.51 0.43 -1.16 117.35 127.06 3kl9 s TYR 206 Ca 0.23 -0.86 -0.02 0.00 -1.01 0.00 0.00 57.07 55.41 3kl9 s TYR 206 Cb -0.15 -2.00 0.05 0.00 -0.11 0.00 0.00 41.96 39.75 3kl9 s TYR 206 CO 0.09 -0.43 0.02 -1.17 -1.11 0.00 0.00 175.55 172.95 3kl9 s LEU 207 N 1.04 0.97 0.00 -1.29 0.20 0.74 -0.86 118.68 119.48 3kl9 s LEU 207 Ca 0.00 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.27 3kl9 s LEU 207 Cb -0.15 -0.55 0.00 0.00 -0.43 0.00 0.00 46.19 45.07 3kl9 s LEU 207 CO -0.01 -0.26 0.00 0.61 -0.29 0.00 0.00 176.35 176.40 3kl9 n GLY 208 N 5.08 1.50 3.18 7.98 0.00 -0.58 0.82 105.19 123.18 3kl9 n GLY 208 Ca -0.08 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.34 0.64 1.61 0.15 -0.64 -2.04 113.70 115.08 3kl9 s SER 209 Ca 0.00 0.64 -0.10 0.00 0.70 0.00 0.00 55.95 57.19 3kl9 s SER 209 Cb 0.00 0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 64.91 3kl9 s SER 209 CO 0.00 -0.13 1.02 0.20 1.20 0.00 0.00 173.24 175.53 3kl9 s ASN 210 N 0.49 5.85 0.08 5.45 0.01 0.13 -2.94 114.94 124.01 3kl9 s ASN 210 Ca -0.03 1.17 -0.03 0.00 -0.71 0.00 0.00 52.86 53.27 3kl9 s ASN 210 Cb -0.04 -2.14 -0.05 0.00 0.41 0.00 0.00 41.25 39.43 3kl9 s ASN 210 CO -0.03 -1.05 0.27 0.54 -1.51 0.00 0.00 177.10 175.32 3kl9 s VAL 211 N -3.19 5.31 -1.39 1.60 0.11 -1.26 -1.30 120.40 120.28 3kl9 s VAL 211 Ca 0.55 -0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 59.37 3kl9 s VAL 211 Cb -0.11 -3.62 0.03 0.00 -1.53 0.00 0.00 36.38 31.16 3kl9 s VAL 211 CO 0.51 0.14 0.92 0.00 -3.33 0.00 0.00 175.10 173.34 3kl9 n GLN 212 N 0.35 -5.81 -0.02 1.54 6.02 -1.26 -1.64 117.38 116.56 3kl9 n GLN 212 Ca -0.05 0.67 -0.11 0.00 -0.01 0.00 0.00 57.00 57.50 3kl9 n GLN 212 Cb 0.52 -5.48 0.03 0.00 1.02 0.00 0.00 30.24 26.33 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 -2.09 0.65 0.00 -1.09 4.22 -1.90 -1.45 114.58 112.92 3kl9 h GLU 213 Ca -0.59 -0.41 0.00 0.00 0.08 0.00 0.00 59.36 58.44 3kl9 h GLU 213 Cb 1.37 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3kl9 h GLU 213 CO 0.60 1.02 0.00 0.39 -2.18 0.00 0.00 179.01 178.84 3kl9 n GLU 214 N -3.98 0.16 -0.15 1.92 -0.58 -1.26 -1.13 120.64 115.62 3kl9 n GLU 214 Ca -0.03 0.51 0.05 0.00 -0.42 0.00 0.00 57.16 57.26 3kl9 n GLU 214 Cb 0.61 -1.88 0.12 0.00 -0.57 0.00 0.00 31.44 29.72 3kl9 n GLU 214 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3kl9 n VAL 215 N -2.19 1.30 0.00 2.62 0.24 -1.25 -4.00 118.33 115.05 3kl9 n VAL 215 Ca 0.01 -1.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.03 3kl9 n VAL 215 Cb 0.14 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 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 -0.18 0.50 3.62 7.63 0.00 -1.06 -4.87 105.19 110.82 3kl9 n GLY 216 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.39 -0.05 0.99 4.77 -0.28 -4.91 117.00 114.13 3kl9 n LEU 217 Ca 0.00 -0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 55.25 3kl9 n LEU 217 Cb 0.00 -2.99 -0.07 0.00 -2.33 0.00 0.00 43.42 38.03 3kl9 n LEU 217 CO 0.00 0.60 0.45 0.03 -1.33 0.00 0.00 177.39 177.14 3kl9 h ARG 218 N -2.53 0.55 -0.12 3.23 3.08 -1.46 -2.95 114.38 114.18 3kl9 h ARG 218 Ca -0.57 -0.38 -0.07 0.00 0.07 0.00 0.00 59.98 59.02 3kl9 h ARG 218 Cb 1.37 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 3kl9 h ARG 218 CO 0.57 1.00 -0.26 0.78 -1.07 0.00 0.00 179.97 180.98 3kl9 h GLY 219 N 0.19 0.23 0.76 0.04 0.00 -1.46 -2.87 103.07 99.95 3kl9 h GLY 219 Ca -0.00 -0.17 0.14 0.00 0.00 0.00 0.00 47.33 47.29 3kl9 h GLY 219 CO 0.09 0.15 0.49 0.00 0.00 0.00 0.00 176.54 177.27 3kl9 h ALA 220 N 1.55 2.08 -0.43 3.60 0.00 -1.72 0.78 119.26 125.11 3kl9 h ALA 220 Ca 0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kl9 h ALA 220 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kl9 h ALA 220 CO 0.04 -0.26 -0.02 0.45 0.00 0.00 0.00 179.25 179.45 3kl9 h HIS 221 N 0.43 0.76 0.05 0.00 -0.00 -1.53 -3.19 115.15 111.68 3kl9 h HIS 221 Ca 0.35 -0.11 -0.37 0.00 -0.00 0.00 0.00 60.37 60.24 3kl9 h HIS 221 Cb 0.77 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.92 3kl9 h HIS 221 CO -0.00 0.73 -2.24 0.25 -0.00 0.00 0.00 177.93 176.67 3kl9 n THR 222 N -4.22 1.62 -0.07 2.45 -2.24 -0.02 -2.90 114.28 108.90 3kl9 n THR 222 Ca 0.02 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 61.06 3kl9 n THR 222 Cb 0.30 -1.49 -0.05 0.00 -2.10 0.00 0.00 70.33 66.99 3kl9 n THR 222 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kl9 h SER 223 N 0.03 0.33 -0.09 3.42 4.64 -1.11 -2.17 113.55 118.60 3kl9 h SER 223 Ca -0.50 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.58 3kl9 h SER 223 Cb 1.98 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.98 3kl9 h SER 223 CO -0.00 0.48 0.06 0.74 -0.87 0.00 0.00 176.83 177.24 3kl9 h THR 224 N 0.15 1.04 -0.59 2.95 2.02 -1.71 0.50 112.91 117.27 3kl9 h THR 224 Ca 0.07 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.18 3kl9 h THR 224 Cb 0.29 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 3kl9 h THR 224 CO 0.00 0.04 0.36 0.74 0.37 0.00 0.00 175.52 177.02 3kl9 h THR 225 N 0.10 1.05 -0.60 3.16 2.02 -1.58 -0.39 112.91 116.67 3kl9 h THR 225 Ca 0.03 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 3kl9 h THR 225 Cb 0.01 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 3kl9 h THR 225 CO -0.01 0.13 -0.03 0.50 0.37 0.00 0.00 175.52 176.48 3kl9 h LYS 226 N 0.70 1.08 -0.00 6.66 3.64 -1.03 -3.30 116.57 124.31 3kl9 h LYS 226 Ca 0.24 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3kl9 h LYS 226 Cb 0.04 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3kl9 h LYS 226 CO -0.11 1.06 -0.76 1.19 -2.27 0.00 0.00 179.45 178.57 3kl9 n PHE 227 N -4.17 0.00 -3.87 1.91 0.99 0.13 -5.01 117.46 107.44 3kl9 n PHE 227 Ca 0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.17 3kl9 n PHE 227 Cb 0.37 -0.05 0.01 0.00 -1.00 0.00 0.00 39.48 38.81 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 -1.11 -2.78 -4.80 4.37 4.64 -0.17 -4.95 116.55 111.76 3kl9 n ASP 228 Ca 0.06 -1.06 -0.33 0.00 -1.38 0.00 0.00 54.79 52.07 3kl9 n ASP 228 Cb 0.36 -2.95 -0.01 0.00 -1.04 0.00 0.00 41.12 37.48 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 -6.47 3.51 0.25 -0.67 0.04 -1.26 -4.82 135.00 125.58 3kl9 s PRO 229 Ca 0.26 1.31 0.18 0.00 0.04 0.00 0.00 61.00 62.78 3kl9 s PRO 229 Cb -0.10 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.44 3kl9 s PRO 229 CO 0.89 -0.67 1.28 0.93 0.04 0.00 0.00 177.00 179.47 3kl9 h GLU 230 N 0.96 0.00 -3.22 4.56 5.08 -1.49 -3.45 114.58 117.02 3kl9 h GLU 230 Ca -0.48 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.71 3kl9 h GLU 230 Cb 1.22 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.22 3kl9 h GLU 230 CO 0.58 0.30 -0.46 0.08 -1.00 0.00 0.00 179.01 178.51 3kl9 s VAL 231 N -3.05 0.01 -0.06 3.13 1.01 -1.21 -4.00 120.40 116.23 3kl9 s VAL 231 Ca 0.02 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3kl9 s VAL 231 Cb 0.08 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 36.14 3kl9 s VAL 231 CO 0.75 -0.04 -0.13 0.12 0.00 0.00 0.00 175.10 175.81 3kl9 s PHE 232 N -0.05 1.46 -0.27 5.22 2.19 -0.41 -1.44 117.98 124.67 3kl9 s PHE 232 Ca -0.02 -0.52 0.03 0.00 0.33 0.00 0.00 56.93 56.75 3kl9 s PHE 232 Cb -0.02 -1.06 0.06 0.00 -1.31 0.00 0.00 43.02 40.69 3kl9 s PHE 232 CO 0.01 -0.26 -0.08 -0.51 1.83 0.00 0.00 175.22 176.21 3kl9 s LEU 233 N 0.57 3.66 0.43 6.12 1.02 0.24 -2.27 118.68 128.45 3kl9 s LEU 233 Ca -0.13 -1.48 -0.21 0.00 0.02 0.00 0.00 54.13 52.33 3kl9 s LEU 233 Cb -0.15 -1.58 -0.11 0.00 0.02 0.00 0.00 46.19 44.37 3kl9 s LEU 233 CO 0.03 -0.22 0.96 0.00 0.02 0.00 0.00 176.35 177.14 3kl9 s ALA 234 N 1.09 3.03 -0.18 4.21 0.00 0.11 -1.95 121.76 128.07 3kl9 s ALA 234 Ca -0.06 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.32 3kl9 s ALA 234 Cb -0.20 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 19.80 3kl9 s ALA 234 CO -0.05 0.09 -0.06 0.08 0.00 0.00 0.00 175.76 175.82 3kl9 s VAL 235 N -2.13 1.28 -0.04 0.00 1.01 0.26 0.98 120.40 121.76 3kl9 s VAL 235 Ca 0.62 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3kl9 s VAL 235 Cb -0.10 -1.45 0.09 0.00 0.00 0.00 0.00 36.38 34.91 3kl9 s VAL 235 CO 0.14 0.10 0.77 -0.62 0.00 0.00 0.00 175.10 175.50 3kl9 s ASP 236 N 1.55 -0.53 0.13 3.32 3.68 -1.15 -4.14 116.67 119.53 3kl9 s ASP 236 Ca -0.01 0.44 0.06 0.00 2.13 0.00 0.00 52.55 55.17 3kl9 s ASP 236 Cb -0.16 0.47 -0.04 0.00 -1.45 0.00 0.00 42.92 41.74 3kl9 s ASP 236 CO -0.08 -0.60 0.03 0.00 0.13 0.00 0.00 175.17 174.66 3kl9 s SER 238 N -2.70 2.70 0.24 0.00 0.01 -0.15 -4.86 113.70 108.93 3kl9 s SER 238 Ca 0.28 -1.30 -0.31 0.00 1.31 0.00 0.00 55.95 55.93 3kl9 s SER 238 Cb -0.11 -0.15 -0.12 0.00 0.21 0.00 0.00 66.02 65.85 3kl9 s SER 238 CO 0.20 -0.48 1.67 -2.84 0.41 0.00 0.00 173.24 172.20 3kl9 s PRO 239 N -3.80 4.12 -0.12 12.44 0.02 -1.26 -1.37 135.00 145.03 3kl9 s PRO 239 Ca 0.33 2.60 -0.25 0.00 0.02 0.00 0.00 61.00 63.70 3kl9 s PRO 239 Cb 0.07 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 3kl9 s PRO 239 CO 0.14 -0.71 0.80 0.00 -0.33 0.00 0.00 177.00 176.90 3kl9 s ALA 240 N 0.70 3.42 -0.88 -1.55 0.00 0.14 -4.66 121.76 118.92 3kl9 s ALA 240 Ca 0.70 0.11 0.23 0.00 0.00 0.00 0.00 51.96 53.00 3kl9 s ALA 240 Cb -0.49 -3.14 0.05 0.00 0.00 0.00 0.00 23.12 19.54 3kl9 s ALA 240 CO 0.39 -0.43 1.07 0.41 0.00 0.00 0.00 175.76 177.20 3kl9 n GLY 241 N 3.30 -1.12 0.36 0.00 0.00 -0.45 -4.61 105.19 102.67 3kl9 n GLY 241 Ca 0.03 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.61 3kl9 n GLY 241 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kl9 n ASP 242 N -1.63 -0.42 0.27 1.61 5.75 -0.39 0.16 116.55 121.90 3kl9 n ASP 242 Ca 0.04 1.68 0.16 0.00 -0.01 0.00 0.00 54.79 56.66 3kl9 n ASP 242 Cb 0.36 -0.48 0.62 0.00 -1.03 0.00 0.00 41.12 40.59 3kl9 n ASP 242 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3kl9 h VAL 243 N 0.00 0.07 -0.47 2.12 3.04 -1.86 -1.76 116.25 117.38 3kl9 h VAL 243 Ca 0.44 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 3kl9 h VAL 243 Cb 0.68 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3kl9 h VAL 243 CO -1.00 0.03 0.00 -1.22 -1.01 0.00 0.00 177.57 174.37 3kl9 n TYR 244 N -3.13 1.13 -1.01 3.17 0.53 0.12 -4.94 117.16 113.04 3kl9 n TYR 244 Ca 0.01 -0.66 -0.00 0.00 -1.02 0.00 0.00 57.90 56.22 3kl9 n TYR 244 Cb 0.34 -0.23 -0.00 0.00 -1.03 0.00 0.00 39.34 38.42 3kl9 n TYR 244 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3kl9 n GLY 245 N 0.51 0.27 0.00 2.72 0.00 -0.66 -5.01 105.19 103.02 3kl9 n GLY 245 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.89 0.47 3.88 -0.02 0.00 -0.51 -4.96 105.19 103.16 3kl9 n GLY 246 Ca -0.00 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.20 3.22 0.00 1.61 -2.07 -1.26 -3.54 119.66 115.42 3kl9 s GLN 247 Ca 0.00 -0.71 0.00 0.00 -1.82 0.00 0.00 55.36 52.83 3kl9 s GLN 247 Cb 0.00 -2.84 0.00 0.00 -1.09 0.00 0.00 33.01 29.08 3kl9 s GLN 247 CO 0.00 0.51 0.00 0.41 -1.32 0.00 0.00 175.29 174.89 3kl9 n GLY 248 N -0.45 0.70 3.12 2.60 0.00 -1.26 -2.08 105.19 107.83 3kl9 n GLY 248 Ca -0.07 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.21 2.68 -0.28 1.61 2.20 -1.26 -1.26 119.74 123.23 3kl9 s LYS 249 Ca 0.00 -1.06 -0.41 0.00 -0.36 0.00 0.00 55.97 54.14 3kl9 s LYS 249 Cb 0.00 -2.80 -0.17 0.00 -1.51 0.00 0.00 37.83 33.35 3kl9 s LYS 249 CO 0.00 -0.39 1.66 -0.89 -0.36 0.00 0.00 175.35 175.36 3kl9 n ILE 250 N 4.57 0.21 -0.52 5.43 -0.00 -1.26 -1.58 119.36 126.20 3kl9 n ILE 250 Ca -0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.54 3kl9 n ILE 250 Cb 0.46 -1.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.10 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 3.91 0.75 1.17 7.39 0.00 -1.26 -4.92 105.19 112.23 3kl9 n GLY 251 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.40 3kl9 n GLY 251 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kl9 n ASP 252 N 0.00 3.54 0.00 1.61 9.92 -0.61 -4.94 116.55 126.07 3kl9 n ASP 252 Ca 0.00 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.28 3kl9 n ASP 252 Cb 0.00 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 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 1.47 -3.39 3.72 0.44 0.00 -1.26 -3.83 105.19 102.33 3kl9 n GLY 253 Ca 0.20 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.79 2.53 -0.14 2.61 -1.32 -0.64 -4.42 115.64 113.47 3kl9 s THR 254 Ca 0.00 0.20 -0.13 0.00 -1.21 0.00 0.00 61.69 60.55 3kl9 s THR 254 Cb 0.00 -2.54 -0.05 0.00 -1.51 0.00 0.00 72.50 68.40 3kl9 s THR 254 CO 0.00 -0.19 0.28 -0.76 -2.21 0.00 0.00 174.62 171.74 3kl9 s LEU 255 N -5.85 4.28 -0.65 9.08 1.43 -0.50 -0.89 118.68 125.59 3kl9 s LEU 255 Ca 0.68 0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 54.13 3kl9 s LEU 255 Cb -0.23 -2.35 0.11 0.00 0.03 0.00 0.00 46.19 43.75 3kl9 s LEU 255 CO 0.52 0.16 0.79 -0.63 0.23 0.00 0.00 176.35 177.42 3kl9 s ILE 256 N 0.12 4.79 -0.97 -0.59 -1.09 0.16 -4.27 121.20 119.35 3kl9 s ILE 256 Ca 0.17 -1.06 -0.20 0.00 -2.23 0.00 0.00 60.65 57.33 3kl9 s ILE 256 Cb -0.13 -4.55 0.11 0.00 -1.58 0.00 0.00 42.46 36.31 3kl9 s ILE 256 CO 0.05 -1.21 1.25 -0.60 -1.23 0.00 0.00 174.94 173.19 3kl9 s ARG 257 N 2.72 3.62 0.24 2.79 3.52 -1.26 -1.45 118.95 129.13 3kl9 s ARG 257 Ca 0.16 -1.61 0.12 0.00 -0.13 0.00 0.00 55.73 54.26 3kl9 s ARG 257 Cb -0.20 -5.07 0.14 0.00 -1.56 0.00 0.00 34.95 28.26 3kl9 s ARG 257 CO 0.04 -1.91 1.47 0.27 -0.81 0.00 0.00 175.30 174.36 3kl9 h PHE 258 N 9.03 0.00 -3.56 5.12 -5.15 -1.94 -3.41 116.94 117.03 3kl9 h PHE 258 Ca 0.18 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.80 3kl9 h PHE 258 Cb 1.01 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 36.97 3kl9 h PHE 258 CO 1.20 0.69 -0.52 -0.47 -2.00 0.00 0.00 178.31 177.21 3kl9 s TYR 259 N -3.12 0.06 0.24 6.09 6.14 -1.26 -1.74 117.35 123.75 3kl9 s TYR 259 Ca 0.01 -0.15 -0.17 0.00 0.64 0.00 0.00 57.07 57.40 3kl9 s TYR 259 Cb 0.10 -0.06 0.02 0.00 0.42 0.00 0.00 41.96 42.44 3kl9 s TYR 259 CO 0.77 -0.26 0.57 0.16 0.64 0.00 0.00 175.55 177.42 3kl9 s ASP 260 N -1.31 -0.21 0.00 4.32 1.47 -0.77 -1.00 116.67 119.16 3kl9 s ASP 260 Ca -0.14 -0.64 0.02 0.00 1.18 0.00 0.00 52.55 52.97 3kl9 s ASP 260 Cb -0.07 0.63 0.10 0.00 -0.34 0.00 0.00 42.92 43.24 3kl9 s ASP 260 CO 0.01 -1.17 1.05 -2.65 0.68 0.00 0.00 175.17 173.09 3kl9 n PRO 261 N -0.39 0.01 0.00 2.11 -0.02 -1.26 -2.41 135.00 133.04 3kl9 n PRO 261 Ca -0.06 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 61.87 3kl9 n PRO 261 Cb 0.61 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.23 0.27 3.35 -1.23 0.00 -1.26 -5.05 105.19 100.05 3kl9 n GLY 262 Ca 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.06 -0.55 -0.14 1.61 5.65 -1.01 -4.54 115.29 115.24 3kl9 s HIS 263 Ca 0.02 1.29 -0.03 0.00 0.25 0.00 0.00 55.06 56.58 3kl9 s HIS 263 Cb 0.03 0.21 -0.03 0.00 -1.18 0.00 0.00 32.58 31.61 3kl9 s HIS 263 CO 0.11 -0.28 -0.04 -0.51 -0.65 0.00 0.00 174.74 173.38 3kl9 s LEU 264 N 0.56 3.28 0.01 8.88 1.43 -1.26 -1.84 118.68 129.73 3kl9 s LEU 264 Ca -0.03 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 3kl9 s LEU 264 Cb -0.04 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3kl9 s LEU 264 CO -0.03 0.20 1.22 -0.22 0.23 0.00 0.00 176.35 177.75 3kl9 s LEU 265 N 0.18 4.33 0.11 1.79 2.96 -0.71 -4.93 118.68 122.40 3kl9 s LEU 265 Ca -0.02 1.95 -0.13 0.00 -0.22 0.00 0.00 54.13 55.71 3kl9 s LEU 265 Cb -0.14 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 3kl9 s LEU 265 CO 0.03 -0.54 0.50 -0.76 -1.32 0.00 0.00 176.35 174.25 3kl9 s LEU 266 N 1.67 4.36 0.25 -0.68 1.43 -1.26 -4.88 118.68 119.57 3kl9 s LEU 266 Ca 0.58 1.00 -0.07 0.00 -1.03 0.00 0.00 54.13 54.61 3kl9 s LEU 266 Cb -0.28 -3.11 0.45 0.00 0.03 0.00 0.00 46.19 43.28 3kl9 s LEU 266 CO 0.26 0.15 1.62 -0.65 0.23 0.00 0.00 176.35 177.96 3kl9 h PRO 267 N 3.75 0.08 -0.89 1.29 0.11 -1.95 0.23 132.00 134.61 3kl9 h PRO 267 Ca -0.49 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.68 3kl9 h PRO 267 Cb 1.20 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 3kl9 h PRO 267 CO 0.65 0.05 0.56 0.78 -0.21 0.00 0.00 178.00 179.83 3kl9 h GLY 268 N 0.08 1.35 1.50 -0.55 0.00 -1.89 -0.02 103.07 103.54 3kl9 h GLY 268 Ca 0.42 -0.40 -0.23 0.00 0.00 0.00 0.00 47.33 47.12 3kl9 h GLY 268 CO -0.71 0.27 -0.95 1.98 0.00 0.00 0.00 176.54 177.13 3kl9 h MET 269 N 1.01 0.45 -0.60 4.80 1.85 -1.05 -3.00 114.93 118.38 3kl9 h MET 269 Ca 0.39 -0.48 -0.00 0.00 -0.61 0.00 0.00 59.70 59.00 3kl9 h MET 269 Cb 0.18 0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.32 3kl9 h MET 269 CO -0.18 1.13 0.36 -0.22 -0.40 0.00 0.00 176.91 177.60 3kl9 h LYS 270 N 0.25 0.82 -0.25 0.39 3.64 -0.08 -1.26 116.57 120.08 3kl9 h LYS 270 Ca -0.08 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3kl9 h LYS 270 Cb 1.59 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 3kl9 h LYS 270 CO 0.17 0.59 0.10 -0.44 -2.27 0.00 0.00 179.45 177.59 3kl9 h ASP 271 N 0.81 0.12 -0.16 4.20 3.32 -1.06 -2.41 116.42 121.25 3kl9 h ASP 271 Ca 0.22 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.30 3kl9 h ASP 271 Cb -0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3kl9 h ASP 271 CO -0.04 0.10 0.03 0.15 -1.72 0.00 0.00 179.24 177.77 3kl9 h PHE 272 N 0.22 0.06 -0.35 4.55 3.57 -1.32 -1.01 116.94 122.66 3kl9 h PHE 272 Ca 0.11 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.67 3kl9 h PHE 272 Cb 0.06 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 3kl9 h PHE 272 CO -0.12 0.02 0.06 -0.07 -2.23 0.00 0.00 178.31 175.97 3kl9 h LEU 273 N 0.10 -0.02 -0.38 0.59 3.38 -1.10 -1.46 115.31 116.42 3kl9 h LEU 273 Ca 0.07 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 3kl9 h LEU 273 Cb 0.06 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kl9 h LEU 273 CO -0.09 0.03 -0.75 -0.07 0.09 0.00 0.00 178.44 177.65 3kl9 h LEU 274 N 0.17 0.50 -0.36 1.67 3.38 -1.18 0.72 115.31 120.22 3kl9 h LEU 274 Ca 0.17 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3kl9 h LEU 274 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kl9 h LEU 274 CO -0.23 1.08 -0.08 0.74 0.09 0.00 0.00 178.44 180.05 3kl9 h THR 275 N 0.28 1.28 -0.60 0.22 2.02 -1.14 -2.05 112.91 112.92 3kl9 h THR 275 Ca -0.03 -1.14 -0.09 0.00 0.77 0.00 0.00 66.41 65.92 3kl9 h THR 275 Cb 1.33 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 69.00 3kl9 h THR 275 CO 0.13 0.37 0.03 0.74 0.37 0.00 0.00 175.52 177.17 3kl9 h THR 276 N 0.48 1.26 -0.76 3.16 2.02 -1.17 -1.08 112.91 116.82 3kl9 h THR 276 Ca 0.09 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 3kl9 h THR 276 Cb 0.58 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3kl9 h THR 276 CO 0.03 0.40 0.37 0.00 0.37 0.00 0.00 175.52 176.70 3kl9 h ALA 277 N 0.99 0.97 0.32 6.16 0.00 -0.82 -1.44 119.26 125.44 3kl9 h ALA 277 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kl9 h ALA 277 Cb 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kl9 h ALA 277 CO 0.02 0.53 -0.15 1.49 0.00 0.00 0.00 179.25 181.14 3kl9 h GLU 278 N 1.06 -0.41 -0.78 0.00 4.57 -1.23 0.96 114.58 118.74 3kl9 h GLU 278 Ca 0.26 0.03 0.18 0.00 -1.18 0.00 0.00 59.36 58.65 3kl9 h GLU 278 Cb 0.10 0.09 -0.13 0.00 -0.16 0.00 0.00 28.75 28.65 3kl9 h GLU 278 CO -0.03 -0.08 0.05 0.93 -1.18 0.00 0.00 179.01 178.70 3kl9 h GLU 279 N -0.89 0.13 -0.18 1.92 5.08 -1.16 -1.84 114.58 117.63 3kl9 h GLU 279 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kl9 h GLU 279 Cb 0.52 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kl9 h GLU 279 CO 0.07 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.17 3kl9 n ALA 280 N -2.89 2.51 -3.49 3.43 0.00 -0.55 -4.94 120.51 114.58 3kl9 n ALA 280 Ca 0.15 -0.57 -0.18 0.00 0.00 0.00 0.00 53.44 52.84 3kl9 n ALA 280 Cb 0.51 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.97 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 1.17 -0.43 3.78 0.00 0.00 -0.69 -5.00 105.19 104.02 3kl9 n GLY 281 Ca 0.16 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.45 5.08 -0.21 -0.61 -1.09 0.31 -5.05 121.20 116.18 3kl9 s ILE 282 Ca 0.05 0.90 -0.27 0.00 -2.23 0.00 0.00 60.65 59.11 3kl9 s ILE 282 Cb -0.01 -3.77 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3kl9 s ILE 282 CO 0.75 0.47 0.92 -0.75 -1.23 0.00 0.00 174.94 175.10 3kl9 s LYS 283 N -0.33 4.26 0.04 2.79 2.20 -1.26 -4.82 119.74 122.62 3kl9 s LYS 283 Ca 0.25 1.14 -0.00 0.00 -0.36 0.00 0.00 55.97 57.00 3kl9 s LYS 283 Cb -0.16 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 3kl9 s LYS 283 CO 0.12 -0.49 -0.04 1.52 -0.36 0.00 0.00 175.35 176.11 3kl9 s TYR 284 N 2.71 0.41 0.00 4.03 -0.85 -1.25 -1.61 117.35 120.79 3kl9 s TYR 284 Ca 0.40 -0.74 0.04 0.00 -0.52 0.00 0.00 57.07 56.26 3kl9 s TYR 284 Cb -0.16 -0.29 -0.01 0.00 0.38 0.00 0.00 41.96 41.88 3kl9 s TYR 284 CO 0.09 -0.25 -0.14 1.14 -1.52 0.00 0.00 175.55 174.87 3kl9 s GLN 285 N -2.46 1.10 0.43 -3.49 -2.07 -0.06 -4.87 119.66 108.24 3kl9 s GLN 285 Ca -0.06 -0.56 -0.25 0.00 -1.82 0.00 0.00 55.36 52.66 3kl9 s GLN 285 Cb -0.03 -1.08 -0.08 0.00 -1.09 0.00 0.00 33.01 30.73 3kl9 s GLN 285 CO -0.04 0.29 1.34 0.71 -1.32 0.00 0.00 175.29 176.26 3kl9 s TYR 286 N -0.44 2.69 -0.12 9.60 1.51 -1.26 -0.66 117.35 128.66 3kl9 s TYR 286 Ca 0.05 1.37 -0.05 0.00 -1.01 0.00 0.00 57.07 57.43 3kl9 s TYR 286 Cb -0.06 -3.74 0.06 0.00 -0.11 0.00 0.00 41.96 38.12 3kl9 s TYR 286 CO -0.00 -2.35 0.25 -0.47 -1.11 0.00 0.00 175.55 171.87 3kl9 s TYR 287 N -1.26 -0.39 -0.55 2.71 5.04 -0.53 -4.81 117.35 117.57 3kl9 s TYR 287 Ca 0.59 0.92 -0.16 0.00 -2.44 0.00 0.00 57.07 55.97 3kl9 s TYR 287 Cb -0.39 -0.06 0.12 0.00 0.35 0.00 0.00 41.96 41.99 3kl9 s TYR 287 CO 0.50 -0.33 0.53 0.00 -1.34 0.00 0.00 175.55 174.91 3kl9 s GLY 289 N 3.57 2.37 0.00 0.00 0.00 -0.17 -4.93 107.32 108.15 3kl9 s GLY 289 Ca 0.04 1.17 0.23 0.00 0.00 0.00 0.00 44.72 46.17 3kl9 s GLY 289 CO 0.04 2.16 1.20 0.28 0.00 0.00 0.00 173.10 176.77 3kl9 n LYS 290 N 2.66 0.23 -4.65 2.90 4.01 -1.26 -4.10 118.16 117.94 3kl9 n LYS 290 Ca 0.07 -0.17 -0.30 0.00 -0.51 0.00 0.00 58.31 57.40 3kl9 n LYS 290 Cb 0.42 -1.50 -0.08 0.00 -0.51 0.00 0.00 35.03 33.36 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 -2.88 2.80 0.38 0.72 0.00 -1.26 -4.70 107.32 102.38 3kl9 s GLY 291 Ca 0.12 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.93 3kl9 s GLY 291 CO 0.73 -2.06 0.58 -0.32 0.00 0.00 0.00 173.10 172.03 3kl9 s GLY 292 N -3.76 1.47 0.32 0.20 0.00 -1.26 -4.41 107.32 99.88 3kl9 s GLY 292 Ca 0.16 -1.08 0.03 0.00 0.00 0.00 0.00 44.72 43.83 3kl9 s GLY 292 CO 0.09 -0.97 0.14 -0.51 0.00 0.00 0.00 173.10 171.84 3kl9 s THR 293 N -2.38 0.48 0.58 0.90 -4.23 -1.26 -5.03 115.64 104.70 3kl9 s THR 293 Ca 0.44 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.24 3kl9 s THR 293 Cb -0.10 -2.53 0.40 0.00 1.34 0.00 0.00 72.50 71.62 3kl9 s THR 293 CO 0.36 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.71 3kl9 h ASP 294 N 2.15 0.00 -0.90 3.99 3.32 -1.94 0.19 116.42 123.23 3kl9 h ASP 294 Ca -0.35 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.75 3kl9 h ASP 294 Cb 1.25 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 3kl9 h ASP 294 CO 0.55 0.00 0.59 0.00 -1.72 0.00 0.00 179.24 178.66 3kl9 h ALA 295 N 1.37 1.46 -0.22 3.45 0.00 -1.96 -1.66 119.26 121.70 3kl9 h ALA 295 Ca 0.29 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3kl9 h ALA 295 Cb 1.48 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3kl9 h ALA 295 CO -0.00 0.43 0.18 0.78 0.00 0.00 0.00 179.25 180.63 3kl9 h GLY 296 N 1.09 0.00 0.00 0.00 0.00 -1.19 -1.09 103.07 101.88 3kl9 h GLY 296 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.36 3kl9 h GLY 296 CO -0.12 0.00 -2.27 0.00 0.00 0.00 0.00 176.54 174.15 3kl9 n ALA 297 N -2.49 1.52 -0.36 3.60 0.00 -1.10 -4.59 120.51 117.08 3kl9 n ALA 297 Ca 0.02 -0.95 -0.01 0.00 0.00 0.00 0.00 53.44 52.50 3kl9 n ALA 297 Cb 0.32 -0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.89 3kl9 n ALA 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kl9 h ALA 298 N -0.05 1.26 0.00 0.00 0.00 -1.04 -2.38 119.26 117.05 3kl9 h ALA 298 Ca -0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3kl9 h ALA 298 Cb 1.76 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3kl9 h ALA 298 CO -0.10 0.52 -0.06 1.12 0.00 0.00 0.00 179.25 180.74 3kl9 h HIS 299 N 1.22 0.00 -0.06 0.00 2.07 -1.36 -2.23 115.15 114.79 3kl9 h HIS 299 Ca 0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 3kl9 h HIS 299 Cb -0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.96 3kl9 h HIS 299 CO -0.01 0.06 0.00 1.28 -3.07 0.00 0.00 177.93 176.19 3kl9 n LEU 300 N -3.36 1.26 -4.94 6.12 4.77 -0.89 -1.75 117.00 118.21 3kl9 n LEU 300 Ca -0.02 -0.46 -0.24 0.00 -0.03 0.00 0.00 56.01 55.26 3kl9 n LEU 300 Cb 0.20 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3kl9 n LEU 300 CO 0.27 0.23 0.34 -0.54 -1.33 0.00 0.00 177.39 176.35 3kl9 s LYS 301 N -1.94 3.16 2.22 3.23 -0.14 -0.84 -4.72 119.74 120.71 3kl9 s LYS 301 Ca 0.37 -0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.69 3kl9 s LYS 301 Cb 0.19 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.85 3kl9 s LYS 301 CO 0.31 -0.28 0.00 0.09 -0.76 0.00 0.00 175.35 174.70 3kl9 n ASN 302 N -2.16 0.00 -1.03 2.83 5.03 -1.26 -1.11 115.26 117.56 3kl9 n ASN 302 Ca 0.01 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.52 3kl9 n ASN 302 Cb 0.57 0.00 0.22 0.00 -1.02 0.00 0.00 39.78 39.55 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 1.61 0.00 7.41 0.00 -1.26 -4.99 105.19 107.96 3kl9 n GLY 303 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.93 2.27 2.58 -0.02 0.00 -0.27 -5.09 105.19 105.59 3kl9 n GLY 304 Ca 0.16 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.23 0.19 0.30 1.61 1.01 -0.72 -4.95 120.40 117.61 3kl9 s VAL 305 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 3kl9 s VAL 305 Cb 0.00 -1.16 -0.13 0.00 0.00 0.00 0.00 36.38 35.08 3kl9 s VAL 305 CO 0.00 -0.75 1.20 -2.65 0.00 0.00 0.00 175.10 172.90 3kl9 n PRO 306 N 5.00 1.80 -3.98 2.72 -0.02 -1.26 -4.15 135.00 135.11 3kl9 n PRO 306 Ca -0.03 0.63 -0.08 0.00 -2.02 0.00 0.00 63.50 62.00 3kl9 n PRO 306 Cb 0.41 -2.14 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.30 0.26 0.00 2.55 0.01 -1.26 -1.28 113.70 113.68 3kl9 s SER 307 Ca 0.59 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.99 3kl9 s SER 307 Cb -0.64 0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.89 3kl9 s SER 307 CO 0.59 -0.70 0.00 0.35 0.41 0.00 0.00 173.24 173.89 3kl9 n THR 308 N -0.02 0.00 -3.70 1.44 -2.24 -0.96 -4.70 114.28 104.10 3kl9 n THR 308 Ca -0.13 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.41 3kl9 n THR 308 Cb 0.62 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.89 0.18 -0.46 4.28 2.01 -1.25 0.06 115.64 118.57 3kl9 s THR 309 Ca 0.00 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 3kl9 s THR 309 Cb 0.00 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.96 3kl9 s THR 309 CO 0.00 -0.01 1.14 -0.63 -0.69 0.00 0.00 174.62 174.43 3kl9 s ILE 310 N 2.03 4.23 0.22 1.82 -1.09 0.27 -4.63 121.20 124.06 3kl9 s ILE 310 Ca 0.03 1.27 0.02 0.00 -2.23 0.00 0.00 60.65 59.74 3kl9 s ILE 310 Cb -0.14 -4.58 -0.05 0.00 -1.58 0.00 0.00 42.46 36.11 3kl9 s ILE 310 CO -0.06 -0.95 0.03 -0.83 -1.23 0.00 0.00 174.94 171.89 3kl9 s GLY 311 N 2.41 1.52 0.09 6.18 0.00 -1.26 -2.92 107.32 113.34 3kl9 s GLY 311 Ca 0.48 -1.75 0.04 0.00 0.00 0.00 0.00 44.72 43.49 3kl9 s GLY 311 CO 0.30 -1.61 -0.12 0.14 0.00 0.00 0.00 173.10 171.81 3kl9 s VAL 312 N -3.57 1.02 0.06 1.40 1.01 -1.23 -1.41 120.40 117.68 3kl9 s VAL 312 Ca 0.30 -1.48 0.03 0.00 0.00 0.00 0.00 61.98 60.83 3kl9 s VAL 312 Cb 0.06 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3kl9 s VAL 312 CO 0.09 -0.41 0.01 0.00 0.00 0.00 0.00 175.10 174.79 3kl9 s ALA 314 N -1.24 0.18 0.18 0.00 0.00 -0.47 -4.70 121.76 115.70 3kl9 s ALA 314 Ca 0.24 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 3kl9 s ALA 314 Cb -0.12 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 23.03 3kl9 s ALA 314 CO 0.16 -0.11 0.92 1.03 0.00 0.00 0.00 175.76 177.76 3kl9 s ARG 315 N -1.24 4.75 -1.18 0.00 0.52 0.11 0.24 118.95 122.15 3kl9 s ARG 315 Ca -0.12 1.42 -0.05 0.00 -0.52 0.00 0.00 55.73 56.45 3kl9 s ARG 315 Cb -0.08 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 3kl9 s ARG 315 CO -0.01 0.41 0.84 0.66 0.02 0.00 0.00 175.30 177.23 3kl9 n TYR 316 N 2.00 -2.14 -1.14 -0.53 4.01 -1.26 -1.74 117.16 116.36 3kl9 n TYR 316 Ca -0.01 0.80 -0.34 0.00 -0.16 0.00 0.00 57.90 58.19 3kl9 n TYR 316 Cb 0.48 -4.30 0.13 0.00 -0.31 0.00 0.00 39.34 35.34 3kl9 n TYR 316 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3kl9 s ILE 317 N -3.49 2.02 -0.98 -0.72 1.09 -1.26 -3.98 121.20 113.88 3kl9 s ILE 317 Ca 0.22 0.01 -0.03 0.00 -1.10 0.00 0.00 60.65 59.75 3kl9 s ILE 317 Cb -0.05 -2.44 0.00 0.00 -1.06 0.00 0.00 42.46 38.91 3kl9 s ILE 317 CO 0.78 -0.01 0.84 1.41 -0.10 0.00 0.00 174.94 177.87 3kl9 n HIS 318 N -3.25 -1.94 -3.67 3.97 8.25 -1.26 -5.01 115.22 112.30 3kl9 n HIS 318 Ca 0.14 0.76 -0.06 0.00 -0.26 0.00 0.00 57.72 58.29 3kl9 n HIS 318 Cb 0.50 -4.28 -0.01 0.00 1.12 0.00 0.00 29.99 27.33 3kl9 n HIS 318 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kl9 n SER 319 N -2.36 -0.79 0.08 0.41 3.41 -1.26 -4.72 113.62 108.40 3kl9 n SER 319 Ca -0.12 -1.87 0.12 0.00 -0.26 0.00 0.00 58.87 56.75 3kl9 n SER 319 Cb 0.59 1.41 0.25 0.00 -0.26 0.00 0.00 64.21 66.20 3kl9 n SER 319 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3kl9 h HIS 320 N 1.48 0.00 -2.77 7.33 3.86 -1.89 -3.39 115.15 119.77 3kl9 h HIS 320 Ca -0.14 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.46 3kl9 h HIS 320 Cb 0.58 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.64 3kl9 h HIS 320 CO 0.00 0.00 -0.72 1.04 0.86 0.00 0.00 177.93 179.11 3kl9 n GLN 321 N -2.22 1.29 -3.51 2.45 1.13 -1.26 -3.45 117.38 111.81 3kl9 n GLN 321 Ca 0.04 -4.03 -0.37 0.00 -1.94 0.00 0.00 57.00 50.70 3kl9 n GLN 321 Cb 0.44 -2.05 -0.06 0.00 0.11 0.00 0.00 30.24 28.67 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 -1.00 5.21 -0.08 5.09 2.01 0.41 -4.72 115.64 122.57 3kl9 s THR 322 Ca 0.29 0.69 0.05 0.00 0.31 0.00 0.00 61.69 63.03 3kl9 s THR 322 Cb -0.00 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 3kl9 s THR 322 CO -0.17 0.46 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.75 3kl9 s LEU 323 N -0.16 2.08 0.17 4.42 0.20 -0.71 -1.80 118.68 122.88 3kl9 s LEU 323 Ca 0.21 -0.53 -0.22 0.00 0.69 0.00 0.00 54.13 54.28 3kl9 s LEU 323 Cb -0.15 -1.39 0.06 0.00 -0.43 0.00 0.00 46.19 44.28 3kl9 s LEU 323 CO 0.08 0.21 0.58 -0.72 -0.29 0.00 0.00 176.35 176.21 3kl9 s TYR 324 N 0.06 -0.44 -0.18 5.38 -0.85 -1.01 0.05 117.35 120.36 3kl9 s TYR 324 Ca -0.10 0.19 -0.09 0.00 -0.52 0.00 0.00 57.07 56.55 3kl9 s TYR 324 Cb -0.16 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.66 3kl9 s TYR 324 CO 0.06 -0.87 0.12 0.00 -1.52 0.00 0.00 175.55 173.34 3kl9 s ALA 325 N -3.78 3.67 0.24 9.51 0.00 -1.26 -0.95 121.76 129.19 3kl9 s ALA 325 Ca 0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 3kl9 s ALA 325 Cb -0.01 -2.07 0.23 0.00 0.00 0.00 0.00 23.12 21.26 3kl9 s ALA 325 CO -0.11 0.26 1.91 0.52 0.00 0.00 0.00 175.76 178.35 3kl9 h MET 326 N 6.32 1.23 -0.88 0.00 2.86 -1.85 -2.48 114.93 120.13 3kl9 h MET 326 Ca -0.43 -0.08 0.21 0.00 -2.06 0.00 0.00 59.70 57.34 3kl9 h MET 326 Cb 1.17 -0.28 -0.12 0.00 0.06 0.00 0.00 31.60 32.43 3kl9 h MET 326 CO 0.71 0.82 0.40 0.22 1.06 0.00 0.00 176.91 180.12 3kl9 h ASP 327 N 1.27 0.36 -0.85 1.22 3.58 -1.95 0.68 116.42 120.73 3kl9 h ASP 327 Ca 0.34 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.92 3kl9 h ASP 327 Cb -0.14 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 3kl9 h ASP 327 CO -0.07 0.04 0.48 0.44 -2.88 0.00 0.00 179.24 177.24 3kl9 h ASP 328 N 0.44 1.06 -0.10 2.28 3.32 -1.81 -1.86 116.42 119.75 3kl9 h ASP 328 Ca 0.54 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.51 3kl9 h ASP 328 Cb 0.98 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3kl9 h ASP 328 CO -0.50 0.84 0.02 0.15 -1.72 0.00 0.00 179.24 178.04 3kl9 h PHE 329 N 1.19 0.04 -0.54 4.55 3.57 -0.85 -1.22 116.94 123.69 3kl9 h PHE 329 Ca 0.30 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.85 3kl9 h PHE 329 Cb 0.01 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3kl9 h PHE 329 CO 0.00 0.02 0.29 -0.07 -2.23 0.00 0.00 178.31 176.32 3kl9 h LEU 330 N 0.07 0.43 -0.59 0.59 3.38 -1.18 -0.40 115.31 117.62 3kl9 h LEU 330 Ca 0.04 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kl9 h LEU 330 Cb 0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3kl9 h LEU 330 CO -0.06 0.30 0.36 -0.33 0.09 0.00 0.00 178.44 178.81 3kl9 h GLU 331 N 0.56 0.70 -0.26 1.13 4.39 -1.08 -2.15 114.58 117.88 3kl9 h GLU 331 Ca 0.23 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 3kl9 h GLU 331 Cb 0.11 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3kl9 h GLU 331 CO -0.14 0.47 -0.01 0.00 -1.16 0.00 0.00 179.01 178.17 3kl9 h ALA 332 N 1.25 0.35 -0.52 3.43 0.00 -0.70 -2.55 119.26 120.52 3kl9 h ALA 332 Ca 0.23 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kl9 h ALA 332 Cb -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3kl9 h ALA 332 CO -0.09 0.09 0.29 0.37 0.00 0.00 0.00 179.25 179.92 3kl9 h GLN 333 N 0.24 0.56 0.00 0.00 5.75 -0.97 0.45 115.11 121.14 3kl9 h GLN 333 Ca 0.07 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 3kl9 h GLN 333 Cb 0.43 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 3kl9 h GLN 333 CO 0.01 0.37 -0.15 0.00 -2.65 0.00 0.00 178.83 176.42 3kl9 h ALA 334 N 1.25 1.63 -0.04 3.38 0.00 -1.37 -1.22 119.26 122.90 3kl9 h ALA 334 Ca 0.22 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3kl9 h ALA 334 Cb 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kl9 h ALA 334 CO -0.12 0.18 -0.37 0.35 0.00 0.00 0.00 179.25 179.29 3kl9 h PHE 335 N 0.00 0.45 -0.37 0.00 -0.00 -0.86 -2.67 116.94 113.49 3kl9 h PHE 335 Ca -0.00 -0.21 0.02 0.00 -0.00 0.00 0.00 57.97 57.77 3kl9 h PHE 335 Cb 0.28 -0.06 -0.03 0.00 -0.00 0.00 0.00 35.95 36.14 3kl9 h PHE 335 CO 0.00 0.98 0.21 1.25 -0.00 0.00 0.00 178.31 180.75 3kl9 h LEU 336 N -0.22 0.33 -0.19 0.59 6.46 -0.40 0.07 115.31 121.95 3kl9 h LEU 336 Ca -0.04 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 3kl9 h LEU 336 Cb 1.06 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 3kl9 h LEU 336 CO 0.07 0.24 0.12 1.56 -0.62 0.00 0.00 178.44 179.81 3kl9 h GLN 337 N 0.42 0.26 -0.73 1.25 4.20 -1.33 -0.52 115.11 118.66 3kl9 h GLN 337 Ca 0.15 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.89 3kl9 h GLN 337 Cb 0.02 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 3kl9 h GLN 337 CO -0.08 0.20 0.44 0.00 -0.67 0.00 0.00 178.83 178.73 3kl9 h ALA 338 N 1.04 0.98 0.10 3.87 0.00 -1.12 -0.46 119.26 123.68 3kl9 h ALA 338 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kl9 h ALA 338 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kl9 h ALA 338 CO -0.01 0.17 -0.05 -0.07 0.00 0.00 0.00 179.25 179.29 3kl9 h LEU 339 N 0.83 -0.12 -0.55 0.00 3.38 -0.50 -2.71 115.31 115.64 3kl9 h LEU 339 Ca 0.31 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 3kl9 h LEU 339 Cb 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kl9 h LEU 339 CO -0.15 0.10 -0.23 -0.37 0.09 0.00 0.00 178.44 177.88 3kl9 h VAL 340 N -0.33 1.27 -0.19 1.22 -1.51 -0.97 -1.60 116.25 114.14 3kl9 h VAL 340 Ca -0.01 -1.38 0.05 0.00 -1.23 0.00 0.00 66.70 64.13 3kl9 h VAL 340 Cb 0.28 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 3kl9 h VAL 340 CO 0.02 0.47 0.19 0.11 -1.23 0.00 0.00 177.57 177.13 3kl9 h LYS 341 N 0.80 0.00 0.00 5.19 1.57 -1.10 -3.02 116.57 120.01 3kl9 h LYS 341 Ca 0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3kl9 h LYS 341 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3kl9 h LYS 341 CO 0.07 0.00 -1.91 1.17 -0.57 0.00 0.00 179.45 178.21 3kl9 n LYS 342 N -3.93 0.63 -2.13 3.15 4.81 -0.94 -4.71 118.16 115.04 3kl9 n LYS 342 Ca 0.02 -0.16 -0.42 0.00 -0.87 0.00 0.00 58.31 56.87 3kl9 n LYS 342 Cb 0.31 -1.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.88 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 -4.42 4.29 0.00 3.14 1.43 -0.64 -4.74 118.68 117.74 3kl9 s LEU 343 Ca -0.07 2.11 -0.04 0.00 -1.03 0.00 0.00 54.13 55.10 3kl9 s LEU 343 Cb 0.12 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.81 3kl9 s LEU 343 CO 0.79 -0.86 0.29 -0.90 0.23 0.00 0.00 176.35 175.91 3kl9 n ASP 344 N 6.69 -0.84 -0.21 2.29 3.85 -1.26 -3.34 116.55 123.74 3kl9 n ASP 344 Ca 0.16 -1.82 0.01 0.00 -0.71 0.00 0.00 54.79 52.43 3kl9 n ASP 344 Cb 0.43 1.46 0.10 0.00 -1.35 0.00 0.00 41.12 41.77 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 0.11 -0.32 0.11 9.65 -1.83 -0.74 114.38 121.37 3kl9 h ARG 345 Ca -0.14 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.66 3kl9 h ARG 345 Cb 0.56 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 3kl9 h ARG 345 CO 0.18 0.08 -0.08 0.77 2.80 0.00 0.00 179.97 183.72 3kl9 h SER 346 N 0.12 0.62 0.39 -3.80 0.02 -1.95 -1.98 113.55 106.96 3kl9 h SER 346 Ca 0.33 -0.37 -0.20 0.00 -0.84 0.00 0.00 61.79 60.71 3kl9 h SER 346 Cb 0.53 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3kl9 h SER 346 CO -0.53 0.84 -0.83 0.71 -1.14 0.00 0.00 176.83 175.88 3kl9 h THR 347 N 0.38 1.42 -0.09 -2.27 1.35 -1.70 -0.57 112.91 111.43 3kl9 h THR 347 Ca 0.08 -2.36 -0.23 0.00 -0.55 0.00 0.00 66.41 63.35 3kl9 h THR 347 Cb 0.57 2.30 0.01 0.00 -1.73 0.00 0.00 68.15 69.31 3kl9 h THR 347 CO 0.03 0.70 -0.83 -0.37 -0.25 0.00 0.00 175.52 174.81 3kl9 h VAL 348 N 0.20 1.30 -0.92 6.82 -1.51 -1.21 -1.35 116.25 119.58 3kl9 h VAL 348 Ca -0.05 -2.05 0.13 0.00 -1.23 0.00 0.00 66.70 63.50 3kl9 h VAL 348 Cb 1.43 2.18 -0.09 0.00 -2.13 0.00 0.00 31.29 32.68 3kl9 h VAL 348 CO 0.14 0.64 0.54 0.44 -1.23 0.00 0.00 177.57 178.09 3kl9 h ASP 349 N 0.41 0.75 -0.28 4.19 5.19 -1.30 0.34 116.42 125.71 3kl9 h ASP 349 Ca -0.08 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 3kl9 h ASP 349 Cb 1.47 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 3kl9 h ASP 349 CO 0.17 0.37 0.07 0.25 -3.12 0.00 0.00 179.24 176.97 3kl9 h LEU 350 N 0.82 0.42 -1.12 1.55 6.46 -0.99 -1.66 115.31 120.80 3kl9 h LEU 350 Ca 0.47 -0.23 0.05 0.00 -0.12 0.00 0.00 57.88 58.05 3kl9 h LEU 350 Cb 0.55 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 3kl9 h LEU 350 CO -0.30 0.55 0.60 0.40 -0.62 0.00 0.00 178.44 179.07 3kl9 h ILE 351 N 0.28 1.10 -0.87 4.05 2.04 -0.24 -1.99 117.51 121.88 3kl9 h ILE 351 Ca 0.09 -0.37 -0.46 0.00 1.00 0.00 0.00 64.86 65.12 3kl9 h ILE 351 Cb 0.29 -0.08 -0.27 0.00 -0.74 0.00 0.00 36.82 36.02 3kl9 h ILE 351 CO 0.00 0.20 0.58 0.29 0.00 0.00 0.00 178.15 179.22 3kl9 n LYS 352 N -4.47 2.10 -2.43 2.37 5.02 0.11 -4.24 118.16 116.61 3kl9 n LYS 352 Ca 0.13 -2.62 -0.40 0.00 -2.02 0.00 0.00 58.31 53.40 3kl9 n LYS 352 Cb 0.16 -2.03 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 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 -2.88 2.17 -0.96 2.13 2.46 -0.65 -4.95 115.29 112.61 3kl9 s HIS 353 Ca 0.50 0.03 0.08 0.00 0.47 0.00 0.00 55.06 56.14 3kl9 s HIS 353 Cb 0.42 -4.51 0.06 0.00 -0.13 0.00 0.00 32.58 28.42 3kl9 s HIS 353 CO 0.09 -2.09 0.74 0.66 -2.47 0.00 0.00 174.74 171.68