#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl9 h MET 1 N 0.00 0.00 0.05 4.33 2.07 -2.00 -2.44 114.93 116.94 3kl9 h MET 1 Ca 0.00 0.00 -0.25 0.00 -2.07 0.00 0.00 59.70 57.38 3kl9 h MET 1 Cb 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.74 3kl9 h MET 1 CO 0.00 0.10 -1.06 0.00 1.07 0.00 0.00 176.91 177.03 3kl9 h THR 2 N 0.00 1.42 -0.23 2.22 1.03 -2.00 -2.85 112.91 112.49 3kl9 h THR 2 Ca -0.00 -2.62 -0.15 0.00 -0.01 0.00 0.00 66.41 63.62 3kl9 h THR 2 Cb 0.37 2.60 -0.01 0.00 -1.07 0.00 0.00 68.15 70.04 3kl9 h THR 2 CO 0.01 0.78 -0.47 0.74 -0.01 0.00 0.00 175.52 176.57 3kl9 h THR 3 N 0.19 1.30 0.00 0.00 2.02 -1.90 -2.94 112.91 111.59 3kl9 h THR 3 Ca -0.11 -1.67 -0.00 0.00 0.77 0.00 0.00 66.41 65.40 3kl9 h THR 3 Cb 1.72 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 3kl9 h THR 3 CO 0.18 0.53 -0.00 0.25 0.37 0.00 0.00 175.52 176.85 3kl9 h LEU 4 N 0.49 -0.01 -1.05 2.58 6.46 -1.51 -2.47 115.31 119.80 3kl9 h LEU 4 Ca 0.03 -0.05 0.13 0.00 -0.12 0.00 0.00 57.88 57.87 3kl9 h LEU 4 Cb 1.00 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.85 3kl9 h LEU 4 CO 0.09 0.04 0.62 0.15 -0.62 0.00 0.00 178.44 178.73 3kl9 h PHE 5 N -0.05 1.09 -0.10 1.25 3.04 -1.49 -0.18 116.94 120.49 3kl9 h PHE 5 Ca -0.00 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.99 3kl9 h PHE 5 Cb 0.05 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.21 3kl9 h PHE 5 CO -0.06 0.41 0.04 0.77 -2.02 0.00 0.00 178.31 177.44 3kl9 h SER 6 N 0.93 0.05 -0.81 0.41 0.02 -1.32 0.32 113.55 113.14 3kl9 h SER 6 Ca 0.50 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.42 3kl9 h SER 6 Cb 0.57 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 3kl9 h SER 6 CO -0.27 0.05 0.35 0.11 -1.14 0.00 0.00 176.83 175.93 3kl9 h LYS 7 N 0.09 1.20 -0.13 3.45 1.57 -0.86 -1.21 116.57 120.68 3kl9 h LYS 7 Ca 0.04 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 3kl9 h LYS 7 Cb 0.02 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 3kl9 h LYS 7 CO -0.04 0.95 -0.12 0.82 -0.57 0.00 0.00 179.45 180.49 3kl9 h ILE 8 N 1.18 1.35 -0.92 1.86 2.04 -0.88 -2.54 117.51 119.59 3kl9 h ILE 8 Ca 0.28 -1.27 0.11 0.00 1.00 0.00 0.00 64.86 64.98 3kl9 h ILE 8 Cb 0.18 1.89 -0.08 0.00 -0.74 0.00 0.00 36.82 38.07 3kl9 h ILE 8 CO -0.03 0.37 0.56 0.50 0.00 0.00 0.00 178.15 179.55 3kl9 h LYS 9 N -0.06 0.86 0.48 2.37 3.64 -0.19 -2.20 116.57 121.46 3kl9 h LYS 9 Ca 0.02 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3kl9 h LYS 9 Cb 0.64 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3kl9 h LYS 9 CO 0.03 0.57 -0.26 1.49 -2.27 0.00 0.00 179.45 179.01 3kl9 h GLU 10 N 0.88 -0.66 -0.98 1.90 4.81 -1.13 -2.82 114.58 116.58 3kl9 h GLU 10 Ca 0.46 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.84 3kl9 h GLU 10 Cb 0.46 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.91 3kl9 h GLU 10 CO -0.27 -0.44 0.62 -0.39 -0.73 0.00 0.00 179.01 177.80 3kl9 h VAL 11 N -0.69 0.95 0.00 0.32 -1.51 -1.35 -2.52 116.25 111.46 3kl9 h VAL 11 Ca -0.07 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 3kl9 h VAL 11 Cb 0.54 -0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.55 3kl9 h VAL 11 CO 0.09 0.18 0.00 0.71 -1.23 0.00 0.00 177.57 177.32 3kl9 h THR 12 N 1.01 0.00 0.00 7.19 1.35 -1.45 -3.17 112.91 117.84 3kl9 h THR 12 Ca 0.47 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3kl9 h THR 12 Cb 0.40 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3kl9 h THR 12 CO -0.24 0.00 -0.67 -0.62 -0.25 0.00 0.00 175.52 173.74 3kl9 n GLU 13 N -2.75 0.11 -0.91 4.72 1.02 -0.96 -4.72 120.64 117.15 3kl9 n GLU 13 Ca 0.04 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.88 3kl9 n GLU 13 Cb 0.45 -1.55 0.14 0.00 -0.02 0.00 0.00 31.44 30.46 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 -3.41 2.95 -0.29 -4.62 1.43 -1.20 -5.02 118.68 108.53 3kl9 s LEU 14 Ca 0.08 2.14 0.03 0.00 -1.03 0.00 0.00 54.13 55.35 3kl9 s LEU 14 Cb 0.16 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.89 3kl9 s LEU 14 CO 0.74 -2.77 -0.06 0.00 0.23 0.00 0.00 176.35 174.49 3kl9 s ALA 15 N -2.61 2.68 -0.35 4.21 0.00 -1.26 -5.03 121.76 119.39 3kl9 s ALA 15 Ca 0.67 -2.01 0.04 0.00 0.00 0.00 0.00 51.96 50.66 3kl9 s ALA 15 Cb -0.22 -1.72 0.16 0.00 0.00 0.00 0.00 23.12 21.34 3kl9 s ALA 15 CO 0.56 -1.35 0.43 0.00 0.00 0.00 0.00 175.76 175.39 3kl9 s ALA 16 N 1.04 -1.01 0.80 0.00 0.00 -1.26 -4.63 121.76 116.70 3kl9 s ALA 16 Ca -0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.42 3kl9 s ALA 16 Cb -0.20 -2.18 0.07 0.00 0.00 0.00 0.00 23.12 20.81 3kl9 s ALA 16 CO -0.06 -2.03 1.09 0.08 0.00 0.00 0.00 175.76 174.84 3kl9 s VAL 17 N 1.85 3.19 0.32 0.00 1.01 -1.26 0.02 120.40 125.53 3kl9 s VAL 17 Ca 0.14 0.39 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 3kl9 s VAL 17 Cb -0.12 -3.03 -0.13 0.00 0.00 0.00 0.00 36.38 33.09 3kl9 s VAL 17 CO -0.13 -0.51 1.07 -1.20 0.00 0.00 0.00 175.10 174.34 3kl9 n SER 18 N -3.49 1.61 0.00 3.32 7.64 -1.20 -1.64 113.62 119.85 3kl9 n SER 18 Ca 0.07 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.12 3kl9 n SER 18 Cb 0.55 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 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 1.12 2.19 2.66 0.23 0.00 -1.26 -4.87 105.19 105.26 3kl9 n GLY 19 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 1.43 -0.96 1.61 -0.00 -0.65 -4.95 115.22 109.71 3kl9 n HIS 20 Ca 0.00 -2.68 0.03 0.00 -0.00 0.00 0.00 57.72 55.07 3kl9 n HIS 20 Cb 0.00 -0.32 0.38 0.00 -0.00 0.00 0.00 29.99 30.05 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 4.56 -0.27 -0.41 0.00 -1.26 -4.27 120.64 118.78 3kl9 n GLU 21 Ca 0.12 -3.16 0.08 0.00 0.00 0.00 0.00 57.16 54.21 3kl9 n GLU 21 Cb 0.80 -2.26 0.21 0.00 0.00 0.00 0.00 31.44 30.19 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 3.60 1.06 -0.54 -1.84 0.00 -1.92 -0.29 119.26 119.33 3kl9 h ALA 22 Ca 0.09 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3kl9 h ALA 22 Cb 2.12 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 20.12 3kl9 h ALA 22 CO 0.58 -0.36 0.31 -1.35 0.00 0.00 0.00 179.25 178.43 3kl9 h PRO 23 N 0.26 0.59 -0.19 0.00 0.11 -1.82 0.66 132.00 131.60 3kl9 h PRO 23 Ca 0.46 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.34 3kl9 h PRO 23 Cb 0.82 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3kl9 h PRO 23 CO -0.55 0.39 -0.63 0.28 -0.21 0.00 0.00 178.00 177.27 3kl9 h VAL 24 N 0.61 1.30 -0.92 3.15 2.07 -1.73 -2.72 116.25 118.01 3kl9 h VAL 24 Ca 0.22 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 65.91 3kl9 h VAL 24 Cb 0.06 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3kl9 h VAL 24 CO -0.12 0.59 0.60 -0.09 0.02 0.00 0.00 177.57 178.57 3kl9 h ARG 25 N 0.51 1.10 -0.77 1.57 2.43 -0.83 -0.47 114.38 117.92 3kl9 h ARG 25 Ca -0.01 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3kl9 h ARG 25 Cb 1.22 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 3kl9 h ARG 25 CO 0.13 0.73 0.34 0.00 -1.51 0.00 0.00 179.97 179.66 3kl9 h ALA 26 N 1.47 1.15 -0.19 2.80 0.00 -0.72 -0.82 119.26 122.95 3kl9 h ALA 26 Ca 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kl9 h ALA 26 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kl9 h ALA 26 CO -0.12 0.63 0.09 -0.92 0.00 0.00 0.00 179.25 178.93 3kl9 h TYR 27 N 1.11 0.28 -0.02 0.00 5.03 -1.09 -2.80 116.97 119.48 3kl9 h TYR 27 Ca 0.26 -0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.44 3kl9 h TYR 27 Cb 0.15 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 3kl9 h TYR 27 CO 0.02 0.30 -0.53 -0.07 -1.32 0.00 0.00 178.16 176.56 3kl9 h LEU 28 N 0.17 0.07 -0.14 2.82 3.38 -0.84 -2.01 115.31 118.77 3kl9 h LEU 28 Ca 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kl9 h LEU 28 Cb 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kl9 h LEU 28 CO -0.01 0.59 0.06 -0.09 0.09 0.00 0.00 178.44 179.09 3kl9 h ARG 29 N 0.05 0.21 -0.21 1.13 2.43 -1.18 0.12 114.38 116.94 3kl9 h ARG 29 Ca -0.00 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3kl9 h ARG 29 Cb 0.96 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3kl9 h ARG 29 CO 0.07 0.28 -0.04 1.49 -1.51 0.00 0.00 179.97 180.26 3kl9 h GLU 30 N 0.09 0.32 0.00 0.20 4.22 -1.28 -2.07 114.58 116.06 3kl9 h GLU 30 Ca 0.05 -0.06 -0.25 0.00 0.08 0.00 0.00 59.36 59.18 3kl9 h GLU 30 Cb 0.14 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3kl9 h GLU 30 CO -0.01 0.38 -1.56 0.87 -2.18 0.00 0.00 179.01 176.51 3kl9 h LYS 31 N 0.31 0.00 0.02 1.92 1.57 -1.25 -3.41 116.57 115.74 3kl9 h LYS 31 Ca 0.07 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3kl9 h LYS 31 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3kl9 h LYS 31 CO 0.01 0.46 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.92 3kl9 h LEU 32 N 0.00 0.08 -0.75 2.94 4.07 -0.60 -3.41 115.31 117.64 3kl9 h LEU 32 Ca -0.23 -0.92 0.15 0.00 0.08 0.00 0.00 57.88 56.96 3kl9 h LEU 32 Cb 1.87 -0.03 -0.14 0.00 1.08 0.00 0.00 40.66 43.44 3kl9 h LEU 32 CO 0.07 1.15 -0.21 0.74 -1.08 0.00 0.00 178.44 179.11 3kl9 h THR 33 N -0.89 0.22 -0.05 0.22 2.02 -1.59 -0.42 112.91 112.42 3kl9 h THR 33 Ca -0.08 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.11 3kl9 h THR 33 Cb 1.16 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3kl9 h THR 33 CO -0.01 0.00 0.07 -0.65 0.37 0.00 0.00 175.52 175.30 3kl9 h PRO 34 N -0.02 0.00 -0.23 6.66 0.11 -1.82 -3.04 132.00 133.67 3kl9 h PRO 34 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3kl9 h PRO 34 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3kl9 h PRO 34 CO -0.78 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.73 3kl9 n HIS 35 N -3.71 0.61 -3.83 0.65 8.25 -0.18 -5.00 115.22 112.01 3kl9 n HIS 35 Ca -0.02 -0.76 -0.12 0.00 -0.26 0.00 0.00 57.72 56.56 3kl9 n HIS 35 Cb 0.15 -0.19 -0.11 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.18 0.05 0.30 1.59 1.01 -1.15 -4.63 120.40 115.38 3kl9 s VAL 36 Ca 0.32 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.02 3kl9 s VAL 36 Cb 0.24 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.25 3kl9 s VAL 36 CO 0.09 -0.21 1.67 0.44 0.00 0.00 0.00 175.10 177.10 3kl9 h ASP 37 N 4.91 0.06 -3.81 3.32 3.32 -1.62 -3.46 116.42 119.13 3kl9 h ASP 37 Ca -0.28 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 3kl9 h ASP 37 Cb 1.19 -0.02 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 3kl9 h ASP 37 CO 0.40 0.58 0.13 -0.70 -1.72 0.00 0.00 179.24 177.92 3kl9 s GLU 38 N -3.84 0.81 -0.22 3.56 2.12 -1.14 -4.99 118.70 115.00 3kl9 s GLU 38 Ca -0.02 1.02 -0.02 0.00 0.36 0.00 0.00 54.97 56.31 3kl9 s GLU 38 Cb 0.13 0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.90 3kl9 s GLU 38 CO 0.76 -0.11 -0.09 0.08 -0.54 0.00 0.00 175.26 175.36 3kl9 s VAL 39 N 0.57 2.83 0.37 3.70 1.01 -1.26 0.06 120.40 127.68 3kl9 s VAL 39 Ca -0.01 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.23 3kl9 s VAL 39 Cb -0.05 -2.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 3kl9 s VAL 39 CO -0.02 0.37 -0.03 0.68 0.00 0.00 0.00 175.10 176.09 3kl9 s VAL 40 N 1.37 2.21 0.03 2.92 -7.23 -0.23 -4.97 120.40 114.49 3kl9 s VAL 40 Ca 0.03 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3kl9 s VAL 40 Cb -0.15 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 3kl9 s VAL 40 CO -0.06 -0.12 -0.07 0.28 -0.31 0.00 0.00 175.10 174.82 3kl9 s THR 41 N -2.63 0.49 0.63 5.32 -1.32 -1.26 -1.27 115.64 115.60 3kl9 s THR 41 Ca 0.34 -0.92 0.04 0.00 -1.21 0.00 0.00 61.69 59.95 3kl9 s THR 41 Cb 0.05 -0.54 0.10 0.00 -1.51 0.00 0.00 72.50 70.59 3kl9 s THR 41 CO 0.18 -0.30 0.87 1.51 -2.21 0.00 0.00 174.62 174.67 3kl9 s ASP 42 N -1.31 4.80 0.29 8.08 1.47 -0.36 -4.98 116.67 124.66 3kl9 s ASP 42 Ca -0.08 -0.57 0.23 0.00 1.18 0.00 0.00 52.55 53.31 3kl9 s ASP 42 Cb -0.09 0.05 1.07 0.00 -0.34 0.00 0.00 42.92 43.62 3kl9 s ASP 42 CO 0.00 -1.54 1.70 0.61 0.68 0.00 0.00 175.17 176.62 3kl9 n GLY 43 N -2.49 -1.11 0.00 2.12 0.00 -1.26 -2.87 105.19 99.59 3kl9 n GLY 43 Ca 0.15 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.37 3kl9 n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kl9 n LEU 44 N -2.26 0.16 0.00 0.99 4.32 -1.26 -5.01 117.00 113.93 3kl9 n LEU 44 Ca 0.01 -0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 3kl9 n LEU 44 Cb 0.15 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 3kl9 n LEU 44 CO 0.16 0.04 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 3kl9 n GLY 45 N 1.64 0.42 3.77 -0.72 0.00 -1.14 -4.98 105.19 104.18 3kl9 n GLY 45 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3kl9 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 46 N -0.35 2.96 -0.04 -0.02 0.00 -1.26 -4.81 107.32 103.79 3kl9 s GLY 46 Ca 0.00 1.27 0.03 0.00 0.00 0.00 0.00 44.72 46.02 3kl9 s GLY 46 CO 0.00 1.94 -0.11 -0.26 0.00 0.00 0.00 173.10 174.67 3kl9 s ILE 47 N -1.06 3.32 -0.04 0.90 -5.25 -1.12 -1.22 121.20 116.73 3kl9 s ILE 47 Ca 0.50 -0.69 -0.03 0.00 -0.99 0.00 0.00 60.65 59.44 3kl9 s ILE 47 Cb -0.40 -2.34 0.01 0.00 2.95 0.00 0.00 42.46 42.68 3kl9 s ILE 47 CO 0.52 0.55 0.09 -0.36 -1.79 0.00 0.00 174.94 173.95 3kl9 s PHE 48 N -0.81 -0.10 0.01 1.37 0.40 -0.39 -1.24 117.98 117.22 3kl9 s PHE 48 Ca 0.13 0.26 -0.19 0.00 -0.60 0.00 0.00 56.93 56.53 3kl9 s PHE 48 Cb -0.11 0.00 -0.06 0.00 0.51 0.00 0.00 43.02 43.37 3kl9 s PHE 48 CO 0.02 -0.07 0.55 0.20 0.70 0.00 0.00 175.22 176.62 3kl9 s GLY 49 N 0.26 2.59 -0.28 4.36 0.00 0.36 -1.07 107.32 113.55 3kl9 s GLY 49 Ca -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.60 3kl9 s GLY 49 CO -0.01 0.57 0.09 -0.42 0.00 0.00 0.00 173.10 173.33 3kl9 s ILE 50 N -0.53 4.21 -0.45 0.90 1.01 0.11 0.01 121.20 126.46 3kl9 s ILE 50 Ca 0.29 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 3kl9 s ILE 50 Cb -0.18 -3.07 0.09 0.00 0.01 0.00 0.00 42.46 39.30 3kl9 s ILE 50 CO 0.17 0.20 0.33 -0.75 0.00 0.00 0.00 174.94 174.89 3kl9 s LYS 51 N 1.57 2.74 0.52 2.79 2.20 0.97 -1.70 119.74 128.82 3kl9 s LYS 51 Ca 0.05 -1.48 -0.22 0.00 -0.36 0.00 0.00 55.97 53.96 3kl9 s LYS 51 Cb -0.16 -3.95 -0.06 0.00 -1.51 0.00 0.00 37.83 32.15 3kl9 s LYS 51 CO 0.03 -1.03 1.26 -1.01 -0.36 0.00 0.00 175.35 174.24 3kl9 s HIS 52 N 1.50 2.53 0.07 4.03 3.76 -1.26 -2.05 115.29 123.86 3kl9 s HIS 52 Ca 0.04 1.46 0.07 0.00 -0.15 0.00 0.00 55.06 56.47 3kl9 s HIS 52 Cb -0.24 -3.59 -0.04 0.00 1.11 0.00 0.00 32.58 29.82 3kl9 s HIS 52 CO 0.03 -2.26 -0.13 0.45 -0.85 0.00 0.00 174.74 171.99 3kl9 s SER 53 N -1.20 4.20 0.24 1.40 0.15 -1.26 -4.86 113.70 112.37 3kl9 s SER 53 Ca 0.69 -0.38 0.17 0.00 0.70 0.00 0.00 55.95 57.14 3kl9 s SER 53 Cb -0.34 -0.78 0.05 0.00 -1.71 0.00 0.00 66.02 63.23 3kl9 s SER 53 CO 0.41 0.22 1.28 -0.33 1.20 0.00 0.00 173.24 176.01 3kl9 h GLU 54 N 4.06 0.00 -6.81 5.44 5.08 -1.93 -3.47 114.58 116.96 3kl9 h GLU 54 Ca -0.49 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.34 3kl9 h GLU 54 Cb 1.16 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.50 3kl9 h GLU 54 CO 0.50 0.33 0.89 0.00 -1.00 0.00 0.00 179.01 179.74 3kl9 n ALA 55 N -2.24 2.63 0.13 3.43 0.00 -1.26 -4.94 120.51 118.25 3kl9 n ALA 55 Ca -0.01 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 3kl9 n ALA 55 Cb 0.71 -2.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 3kl9 n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kl9 h VAL 56 N 3.36 0.00 -1.82 0.00 2.07 -1.93 -2.87 116.25 115.05 3kl9 h VAL 56 Ca -0.47 0.00 -0.74 0.00 0.82 0.00 0.00 66.70 66.31 3kl9 h VAL 56 Cb 1.22 0.00 -0.29 0.00 -1.52 0.00 0.00 31.29 30.70 3kl9 h VAL 56 CO 0.79 0.00 0.87 -0.67 0.02 0.00 0.00 177.57 178.58 3kl9 n ASP 57 N -4.30 7.28 -4.67 0.57 2.03 -1.26 -5.02 116.55 111.19 3kl9 n ASP 57 Ca -0.07 -3.82 -0.42 0.00 0.52 0.00 0.00 54.79 51.00 3kl9 n ASP 57 Cb 0.27 -1.00 -0.03 0.00 -0.72 0.00 0.00 41.12 39.65 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 -0.58 1.75 -1.76 -1.67 0.00 -1.09 -4.67 120.51 112.49 3kl9 n ALA 58 Ca 0.54 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.82 3kl9 n ALA 58 Cb 0.33 -2.66 -0.05 0.00 0.00 0.00 0.00 19.45 17.07 3kl9 n ALA 58 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kl9 s PRO 59 N 4.02 4.60 0.13 0.00 0.05 -1.26 -4.52 135.00 138.02 3kl9 s PRO 59 Ca 0.87 1.62 -0.31 0.00 0.05 0.00 0.00 61.00 63.24 3kl9 s PRO 59 Cb -0.45 -3.05 -0.08 0.00 0.05 0.00 0.00 34.50 30.98 3kl9 s PRO 59 CO 0.41 0.23 1.35 1.03 0.05 0.00 0.00 177.00 180.07 3kl9 s ARG 60 N -1.64 4.35 -0.12 4.56 0.52 -1.26 -0.60 118.95 124.75 3kl9 s ARG 60 Ca 0.47 2.04 0.01 0.00 -0.52 0.00 0.00 55.73 57.73 3kl9 s ARG 60 Cb -0.27 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 31.97 3kl9 s ARG 60 CO 0.35 -0.37 -0.14 0.08 0.02 0.00 0.00 175.30 175.23 3kl9 s VAL 61 N 0.86 1.49 -0.24 3.52 1.01 0.14 -1.51 120.40 125.67 3kl9 s VAL 61 Ca 0.62 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 3kl9 s VAL 61 Cb -0.36 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3kl9 s VAL 61 CO 0.32 0.44 0.10 -0.22 0.00 0.00 0.00 175.10 175.74 3kl9 s LEU 62 N 1.20 3.70 -0.19 3.92 2.96 -0.94 0.04 118.68 129.36 3kl9 s LEU 62 Ca -0.02 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3kl9 s LEU 62 Cb -0.14 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.58 3kl9 s LEU 62 CO -0.05 0.02 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.14 3kl9 s VAL 63 N 1.31 2.21 -0.03 1.68 1.01 0.45 -0.64 120.40 126.40 3kl9 s VAL 63 Ca 0.06 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3kl9 s VAL 63 Cb -0.15 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.28 3kl9 s VAL 63 CO 0.05 0.46 -0.00 0.00 0.00 0.00 0.00 175.10 175.60 3kl9 s ALA 64 N 1.29 0.33 0.30 5.51 0.00 -0.70 -1.53 121.76 126.95 3kl9 s ALA 64 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3kl9 s ALA 64 Cb -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.65 3kl9 s ALA 64 CO -0.11 -0.07 0.00 -1.13 0.00 0.00 0.00 175.76 174.45 3kl9 n SER 65 N 4.14 0.00 -3.94 0.00 3.41 -0.88 -1.23 113.62 115.13 3kl9 n SER 65 Ca -0.26 -0.18 -0.11 0.00 -0.26 0.00 0.00 58.87 58.06 3kl9 n SER 65 Cb 0.50 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 3kl9 n SER 65 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3kl9 s HIS 66 N 1.23 0.17 -0.14 7.33 -3.43 -1.26 0.12 115.29 119.30 3kl9 s HIS 66 Ca 0.00 -0.29 0.17 0.00 -0.80 0.00 0.00 55.06 54.15 3kl9 s HIS 66 Cb 0.00 -0.12 -0.10 0.00 -1.43 0.00 0.00 32.58 30.93 3kl9 s HIS 66 CO 0.00 -0.10 0.92 0.52 -2.00 0.00 0.00 174.74 174.08 3kl9 h MET 67 N 5.33 0.00 -7.01 -0.38 2.86 -1.20 -3.41 114.93 111.13 3kl9 h MET 67 Ca -0.29 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 56.89 3kl9 h MET 67 Cb 1.21 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.88 3kl9 h MET 67 CO 0.46 0.27 0.38 0.16 1.06 0.00 0.00 176.91 179.23 3kl9 s ASP 68 N -5.79 6.75 0.38 1.22 -4.77 -1.26 -4.78 116.67 108.42 3kl9 s ASP 68 Ca -0.02 1.90 0.08 0.00 -3.30 0.00 0.00 52.55 51.22 3kl9 s ASP 68 Cb 0.09 -2.57 -0.06 0.00 -1.09 0.00 0.00 42.92 39.29 3kl9 s ASP 68 CO 0.80 -0.49 0.05 -1.83 0.70 0.00 0.00 175.17 174.40 3kl9 s GLU 69 N -2.80 2.07 0.34 2.11 -1.05 0.10 -4.19 118.70 115.28 3kl9 s GLU 69 Ca 0.60 -1.88 -0.26 0.00 -0.15 0.00 0.00 54.97 53.29 3kl9 s GLU 69 Cb -0.17 -1.86 -0.10 0.00 -0.44 0.00 0.00 34.13 31.57 3kl9 s GLU 69 CO 0.22 0.02 0.97 0.14 0.95 0.00 0.00 175.26 177.55 3kl9 s VAL 70 N -2.60 4.10 0.00 1.83 -7.23 -1.26 -3.26 120.40 111.99 3kl9 s VAL 70 Ca 0.36 1.71 0.00 0.00 -1.81 0.00 0.00 61.98 62.25 3kl9 s VAL 70 Cb 0.04 -3.93 0.00 0.00 0.56 0.00 0.00 36.38 33.04 3kl9 s VAL 70 CO 0.20 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 3kl9 n GLY 71 N 0.50 3.15 3.18 2.32 0.00 0.12 -4.58 105.19 109.88 3kl9 n GLY 71 Ca 0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 3kl9 n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl9 s PHE 72 N -0.59 1.02 -0.02 1.61 0.40 0.23 -1.21 117.98 119.42 3kl9 s PHE 72 Ca 0.00 -1.23 0.01 0.00 -0.60 0.00 0.00 56.93 55.11 3kl9 s PHE 72 Cb 0.00 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.99 3kl9 s PHE 72 CO 0.00 -0.48 -0.02 1.41 0.70 0.00 0.00 175.22 176.82 3kl9 s MET 73 N -4.05 0.38 -0.03 0.44 1.75 -0.48 0.34 119.30 117.64 3kl9 s MET 73 Ca 0.28 -0.04 -0.29 0.00 -1.25 0.00 0.00 55.69 54.38 3kl9 s MET 73 Cb 0.07 -0.45 -0.08 0.00 2.84 0.00 0.00 34.83 37.21 3kl9 s MET 73 CO 0.05 -0.04 2.05 0.08 -0.65 0.00 0.00 175.02 176.51 3kl9 s VAL 74 N 0.53 3.00 -0.17 10.11 1.01 -0.83 -0.85 120.40 133.21 3kl9 s VAL 74 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 3kl9 s VAL 74 Cb -0.09 -3.00 -0.23 0.00 0.00 0.00 0.00 36.38 33.06 3kl9 s VAL 74 CO -0.01 -0.00 0.47 0.77 0.00 0.00 0.00 175.10 176.33 3kl9 h SER 75 N 11.93 0.03 -5.15 3.32 4.64 -1.56 0.49 113.55 127.25 3kl9 h SER 75 Ca -0.47 -0.74 -0.10 0.00 -0.47 0.00 0.00 61.79 60.01 3kl9 h SER 75 Cb 1.24 -0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 3kl9 h SER 75 CO 0.95 1.30 -0.44 -1.83 -0.87 0.00 0.00 176.83 175.94 3kl9 s GLU 76 N -2.31 0.76 -0.30 4.77 -1.05 -1.19 -4.74 118.70 114.64 3kl9 s GLU 76 Ca -0.24 -0.93 -0.10 0.00 -0.15 0.00 0.00 54.97 53.55 3kl9 s GLU 76 Cb 0.02 0.30 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 3kl9 s GLU 76 CO 0.65 -0.22 0.15 0.42 0.95 0.00 0.00 175.26 177.21 3kl9 s ILE 77 N -3.56 4.73 0.73 1.83 1.01 -1.26 -2.39 121.20 122.30 3kl9 s ILE 77 Ca 0.03 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.29 3kl9 s ILE 77 Cb 0.04 -3.36 0.04 0.00 0.01 0.00 0.00 42.46 39.18 3kl9 s ILE 77 CO -0.09 0.13 1.09 -0.54 0.00 0.00 0.00 174.94 175.52 3kl9 s LYS 78 N 1.65 2.49 0.60 2.79 -0.14 -0.43 -4.93 119.74 121.77 3kl9 s LYS 78 Ca 0.05 1.18 0.35 0.00 -1.36 0.00 0.00 55.97 56.19 3kl9 s LYS 78 Cb -0.17 -1.93 1.91 0.00 -1.68 0.00 0.00 37.83 35.97 3kl9 s LYS 78 CO 0.07 -1.46 2.23 -1.35 -0.76 0.00 0.00 175.35 174.07 3kl9 h PRO 79 N -0.80 0.00 -0.26 -1.68 0.11 -1.97 -2.05 132.00 125.35 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 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kl9 h PRO 79 CO 0.53 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 3kl9 n ASP 80 N -3.44 1.43 0.00 -2.05 5.75 -1.26 -1.28 116.55 115.69 3kl9 n ASP 80 Ca -0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 3kl9 n ASP 80 Cb 0.14 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 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 0.93 2.34 3.88 6.12 0.00 -0.77 -4.21 105.19 113.48 3kl9 n GLY 81 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.27 1.99 -0.00 2.61 -4.23 -1.26 -4.64 115.64 107.83 3kl9 s THR 82 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 3kl9 s THR 82 Cb 0.00 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 3kl9 s THR 82 CO 0.00 0.00 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.51 3kl9 s PHE 83 N -3.58 1.90 0.14 3.99 0.08 0.35 -1.31 117.98 119.55 3kl9 s PHE 83 Ca 0.65 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.36 3kl9 s PHE 83 Cb -0.10 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 3kl9 s PHE 83 CO 0.51 -0.00 0.27 1.03 -0.10 0.00 0.00 175.22 176.92 3kl9 s ARG 84 N -0.65 3.42 0.22 0.44 1.81 -1.00 -1.82 118.95 121.37 3kl9 s ARG 84 Ca 0.08 -0.59 0.03 0.00 -1.72 0.00 0.00 55.73 53.53 3kl9 s ARG 84 Cb -0.08 -2.97 -0.05 0.00 -0.45 0.00 0.00 34.95 31.40 3kl9 s ARG 84 CO -0.00 0.53 0.02 0.14 -0.68 0.00 0.00 175.30 175.31 3kl9 s VAL 85 N -1.71 0.84 -0.01 3.52 -7.23 -1.26 -1.49 120.40 113.06 3kl9 s VAL 85 Ca 0.34 -2.01 0.08 0.00 -1.81 0.00 0.00 61.98 58.58 3kl9 s VAL 85 Cb -0.11 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 3kl9 s VAL 85 CO 0.28 -0.29 -0.25 0.54 -0.31 0.00 0.00 175.10 175.07 3kl9 s VAL 86 N -3.55 2.18 0.35 1.32 0.11 -0.03 -4.24 120.40 116.54 3kl9 s VAL 86 Ca 0.29 -1.14 -0.27 0.00 -2.93 0.00 0.00 61.98 57.93 3kl9 s VAL 86 Cb 0.06 -1.78 -0.09 0.00 -1.53 0.00 0.00 36.38 33.04 3kl9 s VAL 86 CO 0.08 0.53 1.18 -1.83 -3.33 0.00 0.00 175.10 171.74 3kl9 s GLU 87 N -0.77 4.29 -0.32 1.54 -1.05 -1.26 -1.39 118.70 119.74 3kl9 s GLU 87 Ca 0.11 1.91 0.02 0.00 -0.15 0.00 0.00 54.97 56.86 3kl9 s GLU 87 Cb -0.10 -2.91 0.08 0.00 -0.44 0.00 0.00 34.13 30.76 3kl9 s GLU 87 CO -0.00 -0.14 0.01 0.42 0.95 0.00 0.00 175.26 176.50 3kl9 s ILE 88 N -1.28 2.42 0.00 1.83 1.01 -0.35 -4.87 121.20 119.96 3kl9 s ILE 88 Ca 0.52 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 59.19 3kl9 s ILE 88 Cb -0.33 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.53 3kl9 s ILE 88 CO 0.42 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.61 3kl9 n GLY 89 N 4.39 0.22 3.65 6.18 0.00 -1.25 -0.71 105.19 117.67 3kl9 n GLY 89 Ca -0.05 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.66 1.67 -0.13 -0.02 0.00 -1.26 -4.86 107.32 101.06 3kl9 s GLY 90 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 3kl9 s GLY 90 CO 0.00 2.13 -0.08 -0.98 0.00 0.00 0.00 173.10 174.17 3kl9 s TRP 91 N 3.24 2.93 -0.10 1.90 0.52 -1.26 -4.93 118.94 121.24 3kl9 s TRP 91 Ca 0.42 -0.34 -0.29 0.00 0.02 0.00 0.00 56.10 55.91 3kl9 s TRP 91 Cb -0.14 -1.86 -0.05 0.00 -1.15 0.00 0.00 33.47 30.27 3kl9 s TRP 91 CO 0.09 -0.01 1.65 1.21 0.02 0.00 0.00 176.95 179.90 3kl9 s ASN 92 N 0.09 6.57 0.55 2.95 2.47 -1.26 -4.90 114.94 121.41 3kl9 s ASN 92 Ca -0.03 2.06 0.37 0.00 0.42 0.00 0.00 52.86 55.68 3kl9 s ASN 92 Cb -0.14 -2.53 1.99 0.00 -1.45 0.00 0.00 41.25 39.12 3kl9 s ASN 92 CO 0.03 -1.03 2.13 -0.65 -3.72 0.00 0.00 177.10 173.87 3kl9 h PRO 93 N 9.94 0.00 0.00 0.43 0.11 -1.98 -2.10 132.00 138.39 3kl9 h PRO 93 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 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 0.97 0.00 -0.06 0.52 -0.21 0.00 0.00 178.00 179.22 3kl9 h MET 94 N 0.00 0.00 -0.20 1.05 2.86 -1.92 -2.90 114.93 113.82 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 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3kl9 h MET 94 CO 0.00 0.06 0.00 1.33 1.06 0.00 0.00 176.91 179.36 3kl9 n VAL 95 N -3.43 0.32 -0.00 -2.22 0.24 -0.79 -4.58 118.33 107.87 3kl9 n VAL 95 Ca -0.02 -0.66 -0.11 0.00 -2.04 0.00 0.00 64.34 61.52 3kl9 n VAL 95 Cb 0.19 1.10 -0.14 0.00 -1.47 0.00 0.00 33.84 33.52 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 3.46 0.95 -3.86 3.34 2.07 -1.65 -3.47 116.25 117.08 3kl9 h VAL 96 Ca 0.00 -2.75 -0.52 0.00 0.82 0.00 0.00 66.70 64.25 3kl9 h VAL 96 Cb 0.79 2.51 0.06 0.00 -1.52 0.00 0.00 31.29 33.13 3kl9 h VAL 96 CO 0.00 0.62 0.61 -0.44 0.02 0.00 0.00 177.57 178.38 3kl9 s SER 97 N -6.36 6.87 -1.04 0.57 0.01 -1.26 -4.06 113.70 108.43 3kl9 s SER 97 Ca -0.07 2.60 -0.08 0.00 1.31 0.00 0.00 55.95 59.72 3kl9 s SER 97 Cb 0.08 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 3kl9 s SER 97 CO 0.82 -0.45 0.89 -1.20 0.41 0.00 0.00 173.24 173.70 3kl9 n SER 98 N 0.88 -6.53 -4.06 2.44 7.64 -1.06 -4.99 113.62 107.94 3kl9 n SER 98 Ca -0.00 -0.72 -0.16 0.00 1.01 0.00 0.00 58.87 59.00 3kl9 n SER 98 Cb 0.42 -4.93 -0.13 0.00 -1.01 0.00 0.00 64.21 58.56 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 -4.55 0.64 0.35 1.43 -1.52 -1.25 -4.91 119.66 109.85 3kl9 s GLN 99 Ca 0.43 -0.60 -0.19 0.00 -1.95 0.00 0.00 55.36 53.05 3kl9 s GLN 99 Cb -0.07 -0.54 -0.10 0.00 -0.22 0.00 0.00 33.01 32.08 3kl9 s GLN 99 CO 0.76 0.13 0.84 1.03 -0.25 0.00 0.00 175.29 177.80 3kl9 s ARG 100 N -1.03 4.17 0.15 2.91 0.52 -1.26 -1.54 118.95 122.86 3kl9 s ARG 100 Ca -0.03 0.93 -0.06 0.00 -0.52 0.00 0.00 55.73 56.05 3kl9 s ARG 100 Cb -0.07 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 3kl9 s ARG 100 CO 0.01 0.12 0.20 -0.06 0.02 0.00 0.00 175.30 175.59 3kl9 s PHE 101 N -1.98 0.53 -0.19 -0.53 0.08 0.17 -1.40 117.98 114.66 3kl9 s PHE 101 Ca 0.56 -0.90 -0.01 0.00 0.12 0.00 0.00 56.93 56.69 3kl9 s PHE 101 Cb -0.11 -0.19 0.00 0.00 -0.57 0.00 0.00 43.02 42.15 3kl9 s PHE 101 CO 0.17 -0.64 -0.12 0.15 -0.10 0.00 0.00 175.22 174.67 3kl9 s LYS 102 N -3.98 3.21 -0.33 0.44 1.02 0.16 -1.93 119.74 118.33 3kl9 s LYS 102 Ca 0.18 -0.72 -0.24 0.00 0.02 0.00 0.00 55.97 55.21 3kl9 s LYS 102 Cb 0.05 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.59 3kl9 s LYS 102 CO -0.00 -0.15 0.83 -1.17 -0.92 0.00 0.00 175.35 173.94 3kl9 s LEU 103 N 1.25 4.07 -0.44 3.17 0.20 -0.41 -0.46 118.68 126.07 3kl9 s LEU 103 Ca 0.03 0.62 -0.18 0.00 0.69 0.00 0.00 54.13 55.28 3kl9 s LEU 103 Cb -0.14 -3.13 0.03 0.00 -0.43 0.00 0.00 46.19 42.52 3kl9 s LEU 103 CO -0.06 -0.69 0.50 -0.76 -0.29 0.00 0.00 176.35 175.05 3kl9 s LEU 104 N 3.11 4.83 0.41 -0.68 1.02 0.13 -1.55 118.68 125.95 3kl9 s LEU 104 Ca 0.34 -0.66 -0.22 0.00 0.02 0.00 0.00 54.13 53.61 3kl9 s LEU 104 Cb -0.13 -2.46 -0.11 0.00 0.02 0.00 0.00 46.19 43.51 3kl9 s LEU 104 CO 0.14 -0.66 0.95 -0.89 0.02 0.00 0.00 176.35 175.91 3kl9 s THR 105 N 2.31 4.34 0.21 5.49 2.01 -0.97 -3.30 115.64 125.75 3kl9 s THR 105 Ca 0.14 1.57 -0.09 0.00 0.31 0.00 0.00 61.69 63.62 3kl9 s THR 105 Cb -0.17 -3.69 0.14 0.00 0.01 0.00 0.00 72.50 68.79 3kl9 s THR 105 CO 0.14 -0.21 1.81 -0.09 -0.69 0.00 0.00 174.62 175.58 3kl9 h ARG 106 N 2.20 0.66 -0.24 4.92 2.43 -1.89 -1.27 114.38 121.18 3kl9 h ARG 106 Ca -0.48 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3kl9 h ARG 106 Cb 1.18 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3kl9 h ARG 106 CO 0.62 0.43 0.00 -0.40 -1.51 0.00 0.00 179.97 179.11 3kl9 n ASP 107 N -4.79 0.24 0.00 -3.80 5.75 -1.26 -4.87 116.55 107.81 3kl9 n ASP 107 Ca 0.08 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 3kl9 n ASP 107 Cb 0.18 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3kl9 n ASP 107 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kl9 n GLY 108 N 0.32 0.83 3.72 6.12 0.00 -0.48 -5.05 105.19 110.64 3kl9 n GLY 108 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3kl9 n GLY 108 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kl9 n HIS 109 N -2.00 1.73 -3.97 1.61 8.25 -1.26 -4.85 115.22 114.73 3kl9 n HIS 109 Ca 0.00 0.42 -0.31 0.00 -0.26 0.00 0.00 57.72 57.57 3kl9 n HIS 109 Cb 0.00 -2.22 -0.15 0.00 1.12 0.00 0.00 29.99 28.73 3kl9 n HIS 109 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kl9 s GLU 110 N -3.55 1.67 -0.19 -0.41 2.02 -1.26 -2.28 118.70 114.70 3kl9 s GLU 110 Ca 0.80 -1.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.48 3kl9 s GLU 110 Cb -0.36 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 3kl9 s GLU 110 CO 0.43 -0.70 -0.02 0.96 0.02 0.00 0.00 175.26 175.95 3kl9 s ILE 111 N 1.24 3.80 0.06 -1.63 -5.25 -0.60 -4.92 121.20 113.91 3kl9 s ILE 111 Ca -0.02 -0.37 -0.31 0.00 -0.99 0.00 0.00 60.65 58.97 3kl9 s ILE 111 Cb -0.19 -2.70 -0.09 0.00 2.95 0.00 0.00 42.46 42.43 3kl9 s ILE 111 CO -0.08 0.45 1.75 -2.84 -1.79 0.00 0.00 174.94 172.43 3kl9 s PRO 112 N 0.88 4.17 0.00 0.37 0.02 -1.26 -1.29 135.00 137.89 3kl9 s PRO 112 Ca 0.00 2.43 0.03 0.00 0.02 0.00 0.00 61.00 63.48 3kl9 s PRO 112 Cb -0.14 -3.74 -0.01 0.00 0.02 0.00 0.00 34.50 30.63 3kl9 s PRO 112 CO 0.02 -0.81 -0.10 0.08 -0.33 0.00 0.00 177.00 175.85 3kl9 s VAL 113 N 3.14 0.80 0.19 3.83 1.01 -0.81 -4.63 120.40 123.93 3kl9 s VAL 113 Ca 0.78 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.32 3kl9 s VAL 113 Cb -0.41 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3kl9 s VAL 113 CO 0.35 0.16 -0.15 0.27 0.00 0.00 0.00 175.10 175.72 3kl9 s ILE 114 N -0.37 1.73 0.09 2.22 -4.36 -0.43 0.42 121.20 120.51 3kl9 s ILE 114 Ca 0.03 -2.10 -0.08 0.00 -0.26 0.00 0.00 60.65 58.23 3kl9 s ILE 114 Cb -0.05 -1.96 -0.06 0.00 1.25 0.00 0.00 42.46 41.65 3kl9 s ILE 114 CO -0.00 -0.52 0.38 -0.94 0.24 0.00 0.00 174.94 174.11 3kl9 s SER 115 N -3.10 6.59 -0.20 4.36 1.04 -0.59 0.45 113.70 122.25 3kl9 s SER 115 Ca 0.20 0.72 0.09 0.00 0.48 0.00 0.00 55.95 57.43 3kl9 s SER 115 Cb -0.02 -2.15 -0.18 0.00 0.10 0.00 0.00 66.02 63.77 3kl9 s SER 115 CO 0.06 0.15 -0.07 0.61 0.98 0.00 0.00 173.24 174.97 3kl9 n GLY 116 N 0.72 -0.58 0.00 7.32 0.00 0.53 -2.56 105.19 110.61 3kl9 n GLY 116 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.90 0.00 -3.54 1.61 -0.04 -1.26 -3.06 135.00 125.81 3kl9 n PRO 132 Ca -0.34 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.74 3kl9 n PRO 132 Cb 0.99 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.39 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 3.71 0.28 0.55 0.00 -1.26 -4.87 121.76 120.18 3kl9 s ALA 133 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 3kl9 s ALA 133 Cb 0.00 -2.34 0.45 0.00 0.00 0.00 0.00 23.12 21.23 3kl9 s ALA 133 CO 0.00 0.48 1.91 0.82 0.00 0.00 0.00 175.76 178.97 3kl9 h ILE 134 N 3.77 1.11 0.00 0.00 2.04 -1.97 -0.88 117.51 121.59 3kl9 h ILE 134 Ca -0.52 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 3kl9 h ILE 134 Cb 1.22 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3kl9 h ILE 134 CO 0.61 0.21 -0.01 0.00 0.00 0.00 0.00 178.15 178.96 3kl9 h ALA 135 N 1.47 1.20 -0.00 1.87 0.00 -1.95 -1.92 119.26 119.93 3kl9 h ALA 135 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kl9 h ALA 135 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kl9 h ALA 135 CO -0.14 0.01 -0.56 -0.25 0.00 0.00 0.00 179.25 178.32 3kl9 n ASP 136 N -3.39 0.70 -4.72 0.00 8.00 -0.34 -4.60 116.55 112.20 3kl9 n ASP 136 Ca -0.03 -0.50 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 3kl9 n ASP 136 Cb 0.10 0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 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 -2.92 4.23 -0.12 0.53 1.01 -0.72 -4.99 121.20 118.21 3kl9 s ILE 137 Ca 0.12 1.72 -0.29 0.00 0.00 0.00 0.00 60.65 62.20 3kl9 s ILE 137 Cb 0.17 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 3kl9 s ILE 137 CO 0.70 0.20 1.16 -0.69 0.00 0.00 0.00 174.94 176.32 3kl9 s VAL 138 N 0.50 4.42 -0.19 2.92 1.01 -1.26 -4.61 120.40 123.18 3kl9 s VAL 138 Ca 0.53 1.72 -0.05 0.00 0.00 0.00 0.00 61.98 64.18 3kl9 s VAL 138 Cb -0.27 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 3kl9 s VAL 138 CO 0.31 -0.07 -0.00 -0.36 0.00 0.00 0.00 175.10 174.98 3kl9 s PHE 139 N 2.71 3.05 -0.14 5.22 0.40 -0.76 -0.35 117.98 128.12 3kl9 s PHE 139 Ca 0.52 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 3kl9 s PHE 139 Cb -0.21 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.28 3kl9 s PHE 139 CO 0.17 -0.16 -0.18 0.34 0.70 0.00 0.00 175.22 176.09 3kl9 s ASP 140 N 0.80 2.79 0.00 1.36 3.68 0.17 -0.49 116.67 124.97 3kl9 s ASP 140 Ca 0.00 -0.52 0.19 0.00 2.13 0.00 0.00 52.55 54.35 3kl9 s ASP 140 Cb -0.14 -1.27 0.04 0.00 -1.45 0.00 0.00 42.92 40.10 3kl9 s ASP 140 CO 0.02 0.01 0.98 0.61 0.13 0.00 0.00 175.17 176.93 3kl9 n GLY 141 N 4.36 0.14 2.54 2.66 0.00 -1.26 -1.31 105.19 112.32 3kl9 n GLY 141 Ca -0.19 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 1.20 0.20 3.98 -0.02 0.00 -1.26 -4.92 105.19 104.37 3kl9 n GLY 142 Ca 0.09 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.15 3.22 -0.01 1.61 0.40 -1.26 -5.04 117.98 113.73 3kl9 s PHE 143 Ca 0.29 -0.16 -0.20 0.00 -0.60 0.00 0.00 56.93 56.27 3kl9 s PHE 143 Cb -0.13 -1.86 -0.30 0.00 0.51 0.00 0.00 43.02 41.24 3kl9 s PHE 143 CO 0.36 0.13 0.98 0.00 0.70 0.00 0.00 175.22 177.40 3kl9 h ALA 144 N 0.98 -0.06 -2.95 5.36 0.00 -1.93 -3.44 119.26 117.23 3kl9 h ALA 144 Ca -0.48 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 53.71 3kl9 h ALA 144 Cb 1.25 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 3kl9 h ALA 144 CO 0.55 0.46 0.11 0.16 0.00 0.00 0.00 179.25 180.53 3kl9 s ASP 145 N -7.07 -0.03 0.27 0.00 3.84 -1.26 -4.38 116.67 108.04 3kl9 s ASP 145 Ca -0.12 -0.92 -0.04 0.00 -0.00 0.00 0.00 52.55 51.47 3kl9 s ASP 145 Cb 0.02 0.72 0.55 0.00 -1.38 0.00 0.00 42.92 42.84 3kl9 s ASP 145 CO 0.86 -1.39 1.62 0.50 -0.00 0.00 0.00 175.17 176.76 3kl9 h LYS 146 N 2.07 0.09 0.05 2.11 3.64 -1.26 -1.89 116.57 121.39 3kl9 h LYS 146 Ca -0.25 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.15 3kl9 h LYS 146 Cb 1.25 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 3kl9 h LYS 146 CO 0.32 0.06 -0.21 0.00 -2.27 0.00 0.00 179.45 177.36 3kl9 h ALA 147 N 1.80 -0.30 -0.86 5.00 0.00 -1.91 -1.79 119.26 121.20 3kl9 h ALA 147 Ca 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 3kl9 h ALA 147 Cb 0.90 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3kl9 h ALA 147 CO -0.74 -0.72 0.45 1.49 0.00 0.00 0.00 179.25 179.73 3kl9 h GLU 148 N -0.36 1.21 -0.29 0.00 4.81 -1.76 -0.42 114.58 117.77 3kl9 h GLU 148 Ca 0.05 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3kl9 h GLU 148 Cb 0.41 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3kl9 h GLU 148 CO -0.16 0.90 0.09 0.00 -0.73 0.00 0.00 179.01 179.12 3kl9 h ALA 149 N 1.24 0.32 0.00 2.92 0.00 -1.20 -2.30 119.26 120.24 3kl9 h ALA 149 Ca 0.30 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3kl9 h ALA 149 Cb 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kl9 h ALA 149 CO -0.04 -0.31 -0.13 0.93 0.00 0.00 0.00 179.25 179.69 3kl9 h GLU 150 N 0.22 0.00 0.00 0.00 5.08 -0.78 -2.30 114.58 116.80 3kl9 h GLU 150 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3kl9 h GLU 150 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kl9 h GLU 150 CO -0.14 0.13 -0.10 0.66 -1.00 0.00 0.00 179.01 178.57 3kl9 h SER 151 N 0.00 0.00 -0.33 1.42 4.64 -0.50 -1.91 113.55 116.87 3kl9 h SER 151 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kl9 h SER 151 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3kl9 h SER 151 CO 0.02 0.10 0.00 0.49 -0.87 0.00 0.00 176.83 176.56 3kl9 n PHE 152 N -3.24 0.57 -0.84 4.77 3.01 -0.87 -4.89 117.46 115.95 3kl9 n PHE 152 Ca 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.21 3kl9 n PHE 152 Cb 0.35 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 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 0.88 0.63 3.72 1.37 0.00 -0.72 -4.86 105.19 106.21 3kl9 n GLY 153 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3kl9 n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl9 s ILE 154 N -2.24 4.16 0.04 -0.61 1.01 -1.20 -4.55 121.20 117.81 3kl9 s ILE 154 Ca 0.00 1.65 -0.01 0.00 0.00 0.00 0.00 60.65 62.29 3kl9 s ILE 154 Cb 0.00 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3kl9 s ILE 154 CO 0.00 0.19 -0.03 -0.13 0.00 0.00 0.00 174.94 174.97 3kl9 s ARG 155 N 0.53 0.50 0.23 2.79 1.81 -1.26 -4.29 118.95 119.25 3kl9 s ARG 155 Ca 0.54 -0.98 -0.32 0.00 -1.72 0.00 0.00 55.73 53.25 3kl9 s ARG 155 Cb -0.28 0.17 -0.13 0.00 -0.45 0.00 0.00 34.95 34.27 3kl9 s ARG 155 CO 0.31 -0.09 1.48 -2.30 -0.68 0.00 0.00 175.30 174.02 3kl9 n PRO 156 N 0.67 2.15 0.00 3.54 -0.02 -1.26 -2.09 135.00 138.00 3kl9 n PRO 156 Ca -0.18 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kl9 n PRO 156 Cb 0.59 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 2.50 2.02 3.70 -1.23 0.00 0.16 -5.00 105.19 107.34 3kl9 n GLY 157 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 2.76 -4.81 1.61 8.00 -0.89 -4.62 116.55 118.60 3kl9 n ASP 158 Ca 0.00 1.19 -0.36 0.00 0.71 0.00 0.00 54.79 56.33 3kl9 n ASP 158 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 41.12 39.55 3kl9 n ASP 158 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kl9 s THR 159 N -1.11 4.55 -0.26 -3.53 -4.23 -1.21 -1.96 115.64 107.89 3kl9 s THR 159 Ca 0.56 1.32 0.01 0.00 -1.18 0.00 0.00 61.69 62.41 3kl9 s THR 159 Cb -0.55 -3.87 0.07 0.00 1.34 0.00 0.00 72.50 69.48 3kl9 s THR 159 CO 0.62 0.22 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.24 3kl9 s ILE 160 N -1.51 1.71 -0.17 2.99 1.01 0.15 0.20 121.20 125.59 3kl9 s ILE 160 Ca 0.43 -1.45 -0.06 0.00 0.00 0.00 0.00 60.65 59.57 3kl9 s ILE 160 Cb -0.17 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3kl9 s ILE 160 CO 0.21 -0.18 0.04 -0.69 0.00 0.00 0.00 174.94 174.32 3kl9 s VAL 161 N 1.29 4.57 0.21 2.92 1.01 0.40 -0.60 120.40 130.19 3kl9 s VAL 161 Ca -0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3kl9 s VAL 161 Cb -0.19 -3.03 -0.16 0.00 0.00 0.00 0.00 36.38 33.00 3kl9 s VAL 161 CO -0.07 0.49 0.89 -2.65 0.00 0.00 0.00 175.10 173.75 3kl9 n PRO 162 N 3.37 0.76 -3.79 2.72 -0.02 -1.26 0.40 135.00 137.17 3kl9 n PRO 162 Ca -0.17 0.27 -0.36 0.00 -2.02 0.00 0.00 63.50 61.22 3kl9 n PRO 162 Cb 0.52 -1.56 -0.12 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.53 5.23 -0.21 2.55 2.15 -0.49 -4.66 116.67 120.71 3kl9 s ASP 163 Ca 0.66 -2.03 -0.10 0.00 0.43 0.00 0.00 52.55 51.52 3kl9 s ASP 163 Cb -0.86 -1.82 0.08 0.00 -0.30 0.00 0.00 42.92 40.03 3kl9 s ASP 163 CO 0.57 -0.53 0.49 -0.55 -0.17 0.00 0.00 175.17 174.97 3kl9 s SER 164 N 1.77 -0.57 0.77 -0.34 0.15 -1.26 -4.64 113.70 109.58 3kl9 s SER 164 Ca 0.08 1.11 -0.10 0.00 0.70 0.00 0.00 55.95 57.75 3kl9 s SER 164 Cb -0.23 1.26 0.08 0.00 -1.71 0.00 0.00 66.02 65.42 3kl9 s SER 164 CO -0.04 -0.22 1.12 -0.94 1.20 0.00 0.00 173.24 174.36 3kl9 s SER 165 N 2.04 4.60 -0.15 5.45 1.04 -1.26 -4.30 113.70 121.12 3kl9 s SER 165 Ca -0.06 0.64 -0.07 0.00 0.48 0.00 0.00 55.95 56.94 3kl9 s SER 165 Cb -0.10 -1.18 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 3kl9 s SER 165 CO -0.15 -1.80 0.08 0.00 0.98 0.00 0.00 173.24 172.35 3kl9 s ALA 166 N -3.46 3.55 0.02 5.32 0.00 -1.26 -4.39 121.76 121.54 3kl9 s ALA 166 Ca 0.62 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 3kl9 s ALA 166 Cb -0.11 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 3kl9 s ALA 166 CO 0.47 0.37 0.00 0.96 0.00 0.00 0.00 175.76 177.56 3kl9 s ILE 167 N -0.22 0.11 0.31 0.00 -4.36 0.41 -4.97 121.20 112.48 3kl9 s ILE 167 Ca 0.09 -0.90 -0.27 0.00 -0.26 0.00 0.00 60.65 59.30 3kl9 s ILE 167 Cb -0.12 -0.34 -0.09 0.00 1.25 0.00 0.00 42.46 43.15 3kl9 s ILE 167 CO 0.01 -0.50 0.99 -0.76 0.24 0.00 0.00 174.94 174.93 3kl9 s LEU 168 N -1.51 4.42 0.70 0.37 1.02 -1.26 -0.25 118.68 122.17 3kl9 s LEU 168 Ca -0.15 1.99 -0.12 0.00 0.02 0.00 0.00 54.13 55.87 3kl9 s LEU 168 Cb -0.09 -3.87 0.01 0.00 0.02 0.00 0.00 46.19 42.26 3kl9 s LEU 168 CO -0.01 -0.11 1.07 0.42 0.02 0.00 0.00 176.35 177.74 3kl9 s THR 169 N -1.43 3.73 0.35 5.49 -4.23 -0.53 -4.85 115.64 114.17 3kl9 s THR 169 Ca 0.48 0.62 0.16 0.00 -1.18 0.00 0.00 61.69 61.77 3kl9 s THR 169 Cb -0.24 -3.23 0.37 0.00 1.34 0.00 0.00 72.50 70.74 3kl9 s THR 169 CO 0.30 -0.67 1.58 0.00 -0.54 0.00 0.00 174.62 175.29 3kl9 h ALA 170 N -0.57 1.89 -0.00 3.99 0.00 -1.97 0.38 119.26 122.98 3kl9 h ALA 170 Ca -0.44 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kl9 h ALA 170 Cb 1.22 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3kl9 h ALA 170 CO 0.55 -0.84 -0.13 0.27 0.00 0.00 0.00 179.25 179.10 3kl9 n ASN 171 N -5.32 0.50 -1.54 0.00 0.23 -1.26 -4.93 115.26 102.93 3kl9 n ASN 171 Ca 0.34 -0.54 -0.17 0.00 -0.53 0.00 0.00 54.58 53.68 3kl9 n ASN 171 Cb 1.13 -0.06 -0.05 0.00 -2.08 0.00 0.00 39.78 38.72 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 -0.98 -1.27 -0.04 -3.83 1.02 0.13 -4.84 120.64 110.84 3kl9 n GLU 172 Ca 0.14 1.03 0.03 0.00 -0.02 0.00 0.00 57.16 58.34 3kl9 n GLU 172 Cb 0.29 -5.35 -0.14 0.00 -0.02 0.00 0.00 31.44 26.23 3kl9 n GLU 172 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kl9 n LYS 173 N -2.55 0.82 -4.47 3.49 4.76 -1.26 -4.97 118.16 113.97 3kl9 n LYS 173 Ca -0.19 -0.11 -0.23 0.00 -2.87 0.00 0.00 58.31 54.92 3kl9 n LYS 173 Cb 0.60 -1.43 -0.11 0.00 -1.84 0.00 0.00 35.03 32.26 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 -4.42 2.94 0.03 4.39 0.01 -1.26 -2.31 114.94 114.31 3kl9 s ASN 174 Ca -0.07 -1.26 0.04 0.00 -0.71 0.00 0.00 52.86 50.86 3kl9 s ASN 174 Cb 0.09 -0.20 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 3kl9 s ASN 174 CO 0.72 -0.40 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.16 3kl9 s ILE 175 N -2.99 0.93 -0.21 0.60 1.01 0.11 -1.46 121.20 119.19 3kl9 s ILE 175 Ca 0.32 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 3kl9 s ILE 175 Cb 0.06 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 3kl9 s ILE 175 CO 0.14 0.01 -0.04 -0.63 0.00 0.00 0.00 174.94 174.42 3kl9 s ILE 176 N -0.74 3.44 0.32 2.92 1.01 0.66 -1.98 121.20 126.83 3kl9 s ILE 176 Ca 0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 3kl9 s ILE 176 Cb -0.07 -2.56 0.04 0.00 0.01 0.00 0.00 42.46 39.88 3kl9 s ILE 176 CO 0.01 0.43 0.63 -1.54 0.00 0.00 0.00 174.94 174.46 3kl9 n SER 177 N 4.67 -1.83 -4.98 3.58 3.41 -0.63 -0.44 113.62 117.40 3kl9 n SER 177 Ca -0.18 -2.35 -0.21 0.00 -0.26 0.00 0.00 58.87 55.87 3kl9 n SER 177 Cb 0.51 3.07 0.03 0.00 -0.26 0.00 0.00 64.21 67.55 3kl9 n SER 177 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3kl9 s LYS 178 N -2.14 2.71 -1.05 4.33 -2.85 -1.23 -0.38 119.74 119.13 3kl9 s LYS 178 Ca 0.14 -0.80 -0.04 0.00 -1.00 0.00 0.00 55.97 54.27 3kl9 s LYS 178 Cb -0.04 -2.56 0.03 0.00 -2.06 0.00 0.00 37.83 33.21 3kl9 s LYS 178 CO 0.11 -0.53 0.21 0.00 0.10 0.00 0.00 175.35 175.24 3kl9 n ALA 179 N -2.19 -0.92 0.24 0.59 0.00 -1.26 -4.79 120.51 112.17 3kl9 n ALA 179 Ca 0.06 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.66 3kl9 n ALA 179 Cb 0.59 -1.96 0.57 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.42 0.00 -3.38 0.00 -0.00 -1.93 -1.56 115.95 108.65 3kl9 h TRP 180 Ca -0.32 0.00 -0.65 0.00 -0.00 0.00 0.00 58.89 57.91 3kl9 h TRP 180 Cb 1.23 0.00 -0.15 0.00 -0.00 0.00 0.00 29.16 30.23 3kl9 h TRP 180 CO 0.71 0.16 0.22 0.34 -0.00 0.00 0.00 178.44 179.87 3kl9 s ASP 181 N -6.75 6.30 -0.32 2.65 2.15 -1.26 -1.25 116.67 118.19 3kl9 s ASP 181 Ca -0.04 -0.53 0.14 0.00 0.43 0.00 0.00 52.55 52.56 3kl9 s ASP 181 Cb 0.15 -2.34 0.47 0.00 -0.30 0.00 0.00 42.92 40.90 3kl9 s ASP 181 CO 0.66 -0.94 1.09 -3.20 -0.17 0.00 0.00 175.17 172.61 3kl9 n ASN 182 N 6.55 2.98 0.06 -0.34 4.05 -1.18 -4.71 115.26 122.66 3kl9 n ASN 182 Ca -0.02 -2.95 0.10 0.00 0.45 0.00 0.00 54.58 52.15 3kl9 n ASN 182 Cb 0.47 -0.45 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 0.54 -3.05 0.00 0.00 177.26 174.75 3kl9 n ARG 183 N -0.47 0.09 0.14 1.20 5.12 -0.60 -1.97 116.66 120.19 3kl9 n ARG 183 Ca 0.23 0.31 -0.14 0.00 -1.93 0.00 0.00 57.85 56.32 3kl9 n ARG 183 Cb 0.82 -1.67 -0.07 0.00 -1.16 0.00 0.00 32.46 30.38 3kl9 n ARG 183 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 3kl9 h TYR 184 N 0.00 -0.94 -0.04 -1.55 5.03 -1.38 -1.67 116.97 116.42 3kl9 h TYR 184 Ca 0.00 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.19 3kl9 h TYR 184 Cb 0.33 0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 3kl9 h TYR 184 CO 0.00 -0.46 -0.62 0.78 -1.32 0.00 0.00 178.16 176.54 3kl9 h GLY 185 N -0.61 0.16 0.87 1.82 0.00 -1.60 0.56 103.07 104.27 3kl9 h GLY 185 Ca 0.01 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.16 3kl9 h GLY 185 CO -0.16 0.18 0.23 -2.08 0.00 0.00 0.00 176.54 174.71 3kl9 h VAL 186 N 0.11 1.02 -0.05 4.60 2.07 -1.43 -0.67 116.25 121.89 3kl9 h VAL 186 Ca -0.01 -0.16 -0.16 0.00 0.82 0.00 0.00 66.70 67.20 3kl9 h VAL 186 Cb 1.12 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3kl9 h VAL 186 CO 0.09 0.08 -0.68 0.25 0.02 0.00 0.00 177.57 177.33 3kl9 h LEU 187 N 0.46 0.25 -1.05 2.57 6.46 -0.79 -1.98 115.31 121.23 3kl9 h LEU 187 Ca 0.16 -0.16 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 3kl9 h LEU 187 Cb 0.03 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 3kl9 h LEU 187 CO -0.09 0.85 -0.01 -0.03 -0.62 0.00 0.00 178.44 178.54 3kl9 h MET 188 N 0.15 0.67 0.04 1.25 4.05 -0.67 -0.02 114.93 120.39 3kl9 h MET 188 Ca -0.02 -0.17 -0.27 0.00 -0.28 0.00 0.00 59.70 58.97 3kl9 h MET 188 Cb 1.22 -0.08 0.02 0.00 -0.80 0.00 0.00 31.60 31.95 3kl9 h MET 188 CO 0.10 0.69 -1.09 0.28 0.23 0.00 0.00 176.91 177.12 3kl9 h VAL 189 N 0.63 1.31 0.13 -5.77 2.07 -0.95 -2.11 116.25 111.56 3kl9 h VAL 189 Ca 0.13 -2.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 3kl9 h VAL 189 Cb 0.41 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3kl9 h VAL 189 CO 0.02 0.73 -0.06 -1.28 0.02 0.00 0.00 177.57 176.99 3kl9 h SER 190 N 0.32 -0.15 0.13 0.57 0.87 -1.24 -2.32 113.55 111.73 3kl9 h SER 190 Ca -0.14 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 3kl9 h SER 190 Cb 1.75 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.74 3kl9 h SER 190 CO 0.21 -0.04 -0.17 -0.33 -0.53 0.00 0.00 176.83 175.96 3kl9 h GLU 191 N -0.25 0.08 -0.37 2.24 4.39 -1.04 -2.27 114.58 117.37 3kl9 h GLU 191 Ca -0.02 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3kl9 h GLU 191 Cb 0.19 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3kl9 h GLU 191 CO 0.03 0.26 0.08 1.25 -1.16 0.00 0.00 179.01 179.47 3kl9 h LEU 192 N 0.08 0.56 -0.30 1.33 6.46 -1.29 -2.01 115.31 120.15 3kl9 h LEU 192 Ca 0.02 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.53 3kl9 h LEU 192 Cb 0.35 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 3kl9 h LEU 192 CO 0.02 0.66 0.15 0.00 -0.62 0.00 0.00 178.44 178.65 3kl9 h ALA 193 N 0.93 0.38 -0.18 1.25 0.00 -0.87 -1.96 119.26 118.81 3kl9 h ALA 193 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kl9 h ALA 193 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kl9 h ALA 193 CO 0.00 -0.07 0.08 1.49 0.00 0.00 0.00 179.25 180.75 3kl9 h GLU 194 N 0.35 0.26 0.00 0.00 4.81 -1.41 -1.79 114.58 116.80 3kl9 h GLU 194 Ca 0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3kl9 h GLU 194 Cb 0.10 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3kl9 h GLU 194 CO -0.01 0.30 -0.06 0.00 -0.73 0.00 0.00 179.01 178.50 3kl9 h ALA 195 N 0.94 1.01 0.00 2.92 0.00 -1.24 -3.00 119.26 119.89 3kl9 h ALA 195 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kl9 h ALA 195 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kl9 h ALA 195 CO -0.01 0.08 -1.51 1.28 0.00 0.00 0.00 179.25 179.09 3kl9 n LEU 196 N -3.18 0.45 -4.65 0.00 4.32 -0.75 -4.84 117.00 108.35 3kl9 n LEU 196 Ca 0.01 -0.18 -0.55 0.00 -0.02 0.00 0.00 56.01 55.27 3kl9 n LEU 196 Cb 0.36 -0.01 -0.07 0.00 -1.62 0.00 0.00 43.42 42.08 3kl9 n LEU 196 CO 0.29 0.09 1.11 -0.24 -1.22 0.00 0.00 177.39 177.43 3kl9 n SER 197 N -1.96 2.02 0.00 -1.43 2.88 -0.68 -1.66 113.62 112.79 3kl9 n SER 197 Ca -0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 3kl9 n SER 197 Cb 0.47 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 3kl9 n SER 197 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kl9 n GLY 198 N 3.34 2.68 3.66 0.46 0.00 -1.26 -5.03 105.19 109.04 3kl9 n GLY 198 Ca 0.22 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.91 -0.06 1.61 -0.21 -0.67 -5.05 119.66 116.19 3kl9 s GLN 199 Ca 0.00 1.54 0.03 0.00 0.02 0.00 0.00 55.36 56.95 3kl9 s GLN 199 Cb 0.00 -1.72 0.01 0.00 1.00 0.00 0.00 33.01 32.30 3kl9 s GLN 199 CO 0.00 -2.71 -0.14 -1.59 -2.12 0.00 0.00 175.29 168.74 3kl9 s LYS 200 N -4.64 1.68 0.18 2.91 -2.85 -1.26 -5.04 119.74 110.72 3kl9 s LYS 200 Ca 0.67 -0.47 0.06 0.00 -1.00 0.00 0.00 55.97 55.23 3kl9 s LYS 200 Cb -0.23 -1.41 -0.04 0.00 -2.06 0.00 0.00 37.83 34.09 3kl9 s LYS 200 CO 0.58 0.10 0.07 -0.51 0.10 0.00 0.00 175.35 175.69 3kl9 s LEU 201 N 0.42 3.54 0.00 2.77 1.43 -1.26 -5.01 118.68 120.57 3kl9 s LEU 201 Ca -0.10 -0.29 0.10 0.00 -1.03 0.00 0.00 54.13 52.80 3kl9 s LEU 201 Cb -0.14 -2.16 0.59 0.00 0.03 0.00 0.00 46.19 44.52 3kl9 s LEU 201 CO 0.03 0.07 1.36 0.61 0.23 0.00 0.00 176.35 178.65 3kl9 n GLY 202 N -0.32 -0.97 3.24 -3.19 0.00 -1.26 -4.41 105.19 98.28 3kl9 n GLY 202 Ca -0.09 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.34 1.97 -0.76 1.61 2.20 -1.21 -4.16 114.94 113.24 3kl9 s ASN 203 Ca 0.15 -0.80 -0.25 0.00 -0.94 0.00 0.00 52.86 51.01 3kl9 s ASN 203 Cb 0.07 -0.06 0.05 0.00 -2.00 0.00 0.00 41.25 39.30 3kl9 s ASN 203 CO 0.11 -0.15 1.22 -0.70 -2.94 0.00 0.00 177.10 174.64 3kl9 s GLU 204 N -2.64 3.24 -0.15 3.55 2.56 0.23 -4.41 118.70 121.07 3kl9 s GLU 204 Ca 0.08 -0.57 -0.25 0.00 0.00 0.00 0.00 54.97 54.23 3kl9 s GLU 204 Cb -0.05 -4.37 -0.02 0.00 2.00 0.00 0.00 34.13 31.69 3kl9 s GLU 204 CO 0.03 -2.06 0.83 -1.17 -0.56 0.00 0.00 175.26 172.33 3kl9 s LEU 205 N 5.09 4.19 -0.31 2.70 2.96 -0.87 -0.68 118.68 131.77 3kl9 s LEU 205 Ca 0.33 1.21 -0.08 0.00 -0.22 0.00 0.00 54.13 55.36 3kl9 s LEU 205 Cb -0.09 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.36 3kl9 s LEU 205 CO 0.10 -0.37 0.12 -0.31 -1.32 0.00 0.00 176.35 174.56 3kl9 s TYR 206 N 2.00 3.17 -0.18 5.38 1.51 0.11 -0.02 117.35 129.32 3kl9 s TYR 206 Ca 0.39 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 3kl9 s TYR 206 Cb -0.17 -2.31 0.03 0.00 -0.11 0.00 0.00 41.96 39.40 3kl9 s TYR 206 CO 0.14 -0.53 -0.13 -1.17 -1.11 0.00 0.00 175.55 172.74 3kl9 s LEU 207 N 1.55 2.04 0.00 -1.29 0.20 0.10 -0.41 118.68 120.88 3kl9 s LEU 207 Ca 0.03 -0.70 0.00 0.00 0.69 0.00 0.00 54.13 54.16 3kl9 s LEU 207 Cb -0.17 -1.25 0.00 0.00 -0.43 0.00 0.00 46.19 44.33 3kl9 s LEU 207 CO 0.04 -0.09 0.00 0.61 -0.29 0.00 0.00 176.35 176.63 3kl9 n GLY 208 N 4.70 1.04 3.16 7.98 0.00 -0.58 0.14 105.19 121.63 3kl9 n GLY 208 Ca -0.16 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.32 0.57 1.61 0.15 -0.37 -2.07 113.70 115.27 3kl9 s SER 209 Ca 0.00 0.60 -0.14 0.00 0.70 0.00 0.00 55.95 57.11 3kl9 s SER 209 Cb 0.00 0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 64.83 3kl9 s SER 209 CO 0.00 -0.12 1.02 0.20 1.20 0.00 0.00 173.24 175.54 3kl9 s ASN 210 N 0.47 6.25 0.15 5.45 0.01 0.31 -2.78 114.94 124.81 3kl9 s ASN 210 Ca -0.03 1.58 -0.01 0.00 -0.71 0.00 0.00 52.86 53.69 3kl9 s ASN 210 Cb -0.04 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 3kl9 s ASN 210 CO -0.02 -0.85 0.33 0.54 -1.51 0.00 0.00 177.10 175.59 3kl9 s VAL 211 N -2.79 5.25 -1.47 1.60 0.11 -1.26 -0.67 120.40 121.18 3kl9 s VAL 211 Ca 0.59 -0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 59.21 3kl9 s VAL 211 Cb -0.12 -3.68 0.06 0.00 -1.53 0.00 0.00 36.38 31.11 3kl9 s VAL 211 CO 0.41 -0.04 0.96 0.00 -3.33 0.00 0.00 175.10 173.10 3kl9 n GLN 212 N -0.23 -5.96 0.02 1.54 6.02 -1.26 -1.70 117.38 115.81 3kl9 n GLN 212 Ca -0.04 0.68 -0.09 0.00 -0.01 0.00 0.00 57.00 57.54 3kl9 n GLN 212 Cb 0.53 -5.61 0.06 0.00 1.02 0.00 0.00 30.24 26.24 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 0.49 0.00 -1.09 4.22 -1.91 -2.54 114.58 111.67 3kl9 h GLU 213 Ca -0.56 -0.32 0.00 0.00 0.08 0.00 0.00 59.36 58.56 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 0.62 0.93 0.00 0.93 -2.18 0.00 0.00 179.01 179.31 3kl9 h GLU 214 N 0.37 0.00 -0.16 1.92 4.39 -1.89 0.74 114.58 119.95 3kl9 h GLU 214 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kl9 h GLU 214 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3kl9 h GLU 214 CO 0.11 0.00 0.00 1.33 -1.16 0.00 0.00 179.01 179.29 3kl9 n VAL 215 N -2.78 0.22 0.00 3.13 0.24 -1.24 -3.93 118.33 113.97 3kl9 n VAL 215 Ca 0.00 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 3kl9 n VAL 215 Cb 0.23 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 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 1.19 0.03 2.55 7.63 0.00 -0.91 -4.87 105.19 110.80 3kl9 n GLY 216 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 -0.13 0.99 4.77 0.21 -4.87 117.00 115.96 3kl9 n LEU 217 Ca 0.00 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.83 3kl9 n LEU 217 Cb 0.00 -2.85 0.05 0.00 -2.33 0.00 0.00 43.42 38.29 3kl9 n LEU 217 CO 0.00 -0.11 0.70 0.03 -1.33 0.00 0.00 177.39 176.68 3kl9 h ARG 218 N -0.30 0.89 -0.45 3.23 3.08 -1.67 -2.83 114.38 116.31 3kl9 h ARG 218 Ca -0.48 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.11 3kl9 h ARG 218 Cb 1.35 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 3kl9 h ARG 218 CO 0.56 1.00 -0.13 0.78 -1.07 0.00 0.00 179.97 181.11 3kl9 h GLY 219 N 0.93 0.91 1.80 0.04 0.00 -1.47 -2.80 103.07 102.48 3kl9 h GLY 219 Ca 0.11 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 46.73 3kl9 h GLY 219 CO 0.06 0.66 0.09 0.00 0.00 0.00 0.00 176.54 177.34 3kl9 h ALA 220 N 1.09 1.32 -0.31 3.60 0.00 -1.71 0.04 119.26 123.29 3kl9 h ALA 220 Ca 0.12 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3kl9 h ALA 220 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kl9 h ALA 220 CO 0.04 -0.11 -0.27 0.45 0.00 0.00 0.00 179.25 179.37 3kl9 h HIS 221 N 0.00 0.87 0.05 0.00 -0.00 -1.48 -3.23 115.15 111.36 3kl9 h HIS 221 Ca 0.02 -0.25 -0.34 0.00 -0.00 0.00 0.00 60.37 59.79 3kl9 h HIS 221 Cb 0.19 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.37 3kl9 h HIS 221 CO 0.00 1.00 -2.03 0.25 -0.00 0.00 0.00 177.93 177.15 3kl9 n THR 222 N -4.26 1.63 -0.08 2.45 -2.24 -0.12 -3.01 114.28 108.66 3kl9 n THR 222 Ca -0.03 -0.72 -0.12 0.00 -2.27 0.00 0.00 64.05 60.91 3kl9 n THR 222 Cb 0.46 -1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 67.37 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 0.44 -0.80 3.42 4.64 -1.39 -1.80 113.55 118.08 3kl9 h SER 223 Ca -0.42 -0.38 -0.02 0.00 -0.47 0.00 0.00 61.79 60.51 3kl9 h SER 223 Cb 2.04 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.97 3kl9 h SER 223 CO 0.05 0.72 0.44 0.74 -0.87 0.00 0.00 176.83 177.91 3kl9 h THR 224 N 0.15 1.24 -0.54 2.95 2.02 -1.70 -1.52 112.91 115.51 3kl9 h THR 224 Ca 0.05 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.57 3kl9 h THR 224 Cb 0.53 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3kl9 h THR 224 CO 0.02 0.26 0.03 0.74 0.37 0.00 0.00 175.52 176.95 3kl9 h THR 225 N 1.11 1.26 -0.40 3.16 2.02 -1.49 -1.91 112.91 116.66 3kl9 h THR 225 Ca 0.28 -1.06 -0.16 0.00 0.77 0.00 0.00 66.41 66.25 3kl9 h THR 225 Cb 0.03 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3kl9 h THR 225 CO -0.05 0.38 -0.36 0.50 0.37 0.00 0.00 175.52 176.37 3kl9 h LYS 226 N 0.82 0.96 -0.01 6.66 3.64 -0.93 -3.32 116.57 124.39 3kl9 h LYS 226 Ca 0.16 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3kl9 h LYS 226 Cb 0.49 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3kl9 h LYS 226 CO 0.02 1.15 -0.73 1.19 -2.27 0.00 0.00 179.45 178.82 3kl9 n PHE 227 N -4.07 0.00 -3.66 1.91 0.99 -0.61 -5.02 117.46 107.01 3kl9 n PHE 227 Ca -0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.17 3kl9 n PHE 227 Cb 0.53 0.00 0.04 0.00 -1.00 0.00 0.00 39.48 39.05 3kl9 n PHE 227 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kl9 n ASP 228 N -0.90 -4.11 -4.83 4.37 4.64 -0.72 -4.95 116.55 110.05 3kl9 n ASP 228 Ca 0.06 -0.94 -0.32 0.00 -1.38 0.00 0.00 54.79 52.21 3kl9 n ASP 228 Cb 0.35 -3.72 0.00 0.00 -1.04 0.00 0.00 41.12 36.71 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 -5.83 3.53 0.06 -0.67 0.04 -1.26 -4.79 135.00 126.07 3kl9 s PRO 229 Ca 0.33 1.00 0.15 0.00 0.04 0.00 0.00 61.00 62.52 3kl9 s PRO 229 Cb -0.10 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.22 3kl9 s PRO 229 CO 0.84 -0.63 0.87 0.93 0.04 0.00 0.00 177.00 179.05 3kl9 h GLU 230 N 0.30 0.00 -3.39 4.56 5.08 -1.64 -3.46 114.58 116.03 3kl9 h GLU 230 Ca -0.46 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.69 3kl9 h GLU 230 Cb 1.20 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.17 3kl9 h GLU 230 CO 0.59 0.40 -0.58 0.08 -1.00 0.00 0.00 179.01 178.51 3kl9 s VAL 231 N -2.83 -0.01 -0.06 3.13 1.01 -1.24 -3.90 120.40 116.50 3kl9 s VAL 231 Ca -0.02 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3kl9 s VAL 231 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.27 3kl9 s VAL 231 CO 0.81 0.02 -0.18 0.12 0.00 0.00 0.00 175.10 175.87 3kl9 s PHE 232 N 0.36 1.86 -0.30 5.22 2.19 -0.35 -2.21 117.98 124.73 3kl9 s PHE 232 Ca -0.02 -0.62 0.03 0.00 0.33 0.00 0.00 56.93 56.65 3kl9 s PHE 232 Cb -0.04 -1.27 0.08 0.00 -1.31 0.00 0.00 43.02 40.49 3kl9 s PHE 232 CO -0.01 -0.24 -0.01 -0.51 1.83 0.00 0.00 175.22 176.28 3kl9 s LEU 233 N 0.22 4.01 0.37 6.12 1.02 0.19 -2.44 118.68 128.17 3kl9 s LEU 233 Ca -0.09 -1.80 -0.25 0.00 0.02 0.00 0.00 54.13 52.02 3kl9 s LEU 233 Cb -0.14 -1.52 -0.09 0.00 0.02 0.00 0.00 46.19 44.45 3kl9 s LEU 233 CO 0.04 -0.31 1.01 0.00 0.02 0.00 0.00 176.35 177.11 3kl9 s ALA 234 N 1.05 3.13 -0.27 4.21 0.00 0.69 -1.72 121.76 128.85 3kl9 s ALA 234 Ca 0.03 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.63 3kl9 s ALA 234 Cb -0.19 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.77 3kl9 s ALA 234 CO -0.08 -0.07 0.01 0.08 0.00 0.00 0.00 175.76 175.70 3kl9 s VAL 235 N -1.66 1.51 -0.13 0.00 1.01 -0.36 0.65 120.40 121.40 3kl9 s VAL 235 Ca 0.55 -1.48 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 3kl9 s VAL 235 Cb -0.20 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.31 3kl9 s VAL 235 CO 0.26 -0.34 0.61 -0.62 0.00 0.00 0.00 175.10 175.01 3kl9 s ASP 236 N 1.36 -0.60 0.22 3.32 3.68 -1.19 -4.26 116.67 119.19 3kl9 s ASP 236 Ca 0.01 0.90 0.04 0.00 2.13 0.00 0.00 52.55 55.63 3kl9 s ASP 236 Cb -0.18 0.86 -0.03 0.00 -1.45 0.00 0.00 42.92 42.11 3kl9 s ASP 236 CO -0.11 -0.41 0.35 0.00 0.13 0.00 0.00 175.17 175.13 3kl9 s SER 238 N -3.77 0.58 0.13 0.00 0.01 -0.45 -4.90 113.70 105.30 3kl9 s SER 238 Ca 0.34 -1.37 -0.31 0.00 1.31 0.00 0.00 55.95 55.92 3kl9 s SER 238 Cb -0.10 0.28 -0.10 0.00 0.21 0.00 0.00 66.02 66.32 3kl9 s SER 238 CO 0.29 -0.78 1.67 -2.84 0.41 0.00 0.00 173.24 171.99 3kl9 s PRO 239 N -4.10 4.18 0.11 12.44 0.02 -1.26 -0.31 135.00 146.09 3kl9 s PRO 239 Ca 0.37 2.43 -0.30 0.00 0.02 0.00 0.00 61.00 63.52 3kl9 s PRO 239 Cb 0.07 -3.40 -0.06 0.00 0.02 0.00 0.00 34.50 31.14 3kl9 s PRO 239 CO 0.12 -0.72 1.01 0.00 -0.33 0.00 0.00 177.00 177.08 3kl9 s ALA 240 N 2.02 3.27 -0.94 -1.55 0.00 0.57 -4.64 121.76 120.49 3kl9 s ALA 240 Ca 0.74 0.64 0.11 0.00 0.00 0.00 0.00 51.96 53.46 3kl9 s ALA 240 Cb -0.43 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 3kl9 s ALA 240 CO 0.33 -0.11 0.64 0.41 0.00 0.00 0.00 175.76 177.03 3kl9 n GLY 241 N 2.32 -0.11 0.32 0.00 0.00 -0.60 -4.62 105.19 102.50 3kl9 n GLY 241 Ca 0.03 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 1.01 -0.52 0.73 1.61 3.04 -0.70 0.20 116.42 121.79 3kl9 h ASP 242 Ca 0.00 0.25 0.00 0.00 -3.24 0.00 0.00 57.03 54.04 3kl9 h ASP 242 Cb 0.36 0.46 0.00 0.00 -1.04 0.00 0.00 39.33 39.11 3kl9 h ASP 242 CO 0.00 -0.28 0.00 0.58 -2.04 0.00 0.00 179.24 177.50 3kl9 h VAL 243 N 0.04 0.00 -0.41 4.15 2.07 -1.85 -1.96 116.25 118.29 3kl9 h VAL 243 Ca 0.50 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.67 3kl9 h VAL 243 Cb 0.93 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3kl9 h VAL 243 CO -0.84 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 175.53 3kl9 n TYR 244 N -2.95 0.68 -1.26 1.57 4.02 0.51 -4.95 117.16 114.78 3kl9 n TYR 244 Ca -0.00 -0.56 -0.06 0.00 -0.01 0.00 0.00 57.90 57.27 3kl9 n TYR 244 Cb 0.24 -0.08 -0.02 0.00 -0.02 0.00 0.00 39.34 39.45 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 0.56 0.77 3.88 2.72 0.00 -0.74 -5.05 105.19 107.34 3kl9 n GLY 245 Ca 0.16 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 3kl9 n GLY 245 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 246 N -2.92 1.74 0.84 -0.02 0.00 -0.02 -4.97 107.32 101.98 3kl9 s GLY 246 Ca 0.00 -1.62 -0.12 0.00 0.00 0.00 0.00 44.72 42.99 3kl9 s GLY 246 CO 0.00 -1.54 1.12 -0.86 0.00 0.00 0.00 173.10 171.82 3kl9 s GLN 247 N -4.03 1.69 0.00 2.90 -2.07 -1.26 -1.98 119.66 114.91 3kl9 s GLN 247 Ca 0.42 0.43 0.00 0.00 -1.82 0.00 0.00 55.36 54.39 3kl9 s GLN 247 Cb -0.07 -1.89 0.00 0.00 -1.09 0.00 0.00 33.01 29.96 3kl9 s GLN 247 CO 0.28 -1.84 0.00 0.41 -1.32 0.00 0.00 175.29 172.81 3kl9 n GLY 248 N -2.29 -1.41 3.13 2.60 0.00 -1.26 -2.22 105.19 103.74 3kl9 n GLY 248 Ca 0.07 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.51 2.88 -0.01 1.61 2.20 -1.26 -1.56 119.74 123.09 3kl9 s LYS 249 Ca 0.00 -0.79 -0.37 0.00 -0.36 0.00 0.00 55.97 54.45 3kl9 s LYS 249 Cb 0.00 -2.42 -0.15 0.00 -1.51 0.00 0.00 37.83 33.74 3kl9 s LYS 249 CO 0.00 -0.12 1.55 -0.89 -0.36 0.00 0.00 175.35 175.53 3kl9 n ILE 250 N 4.38 0.15 0.00 5.43 -0.00 -1.26 -1.76 119.36 126.30 3kl9 n ILE 250 Ca -0.20 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 3kl9 n ILE 250 Cb 0.51 -1.19 0.00 0.00 -0.00 0.00 0.00 39.64 38.96 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 3.34 1.53 0.03 7.39 0.00 -1.26 -4.89 105.19 111.33 3kl9 n GLY 251 Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.37 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 0.17 0.00 1.61 9.92 -0.72 -4.90 116.55 122.62 3kl9 n ASP 252 Ca 0.00 -0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 3kl9 n ASP 252 Cb 0.00 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 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 1.35 0.40 3.78 0.44 0.00 -1.26 -3.92 105.19 106.00 3kl9 n GLY 253 Ca 0.12 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.35 3.43 0.08 2.61 -1.32 -0.84 -4.58 115.64 114.67 3kl9 s THR 254 Ca 0.00 0.82 -0.17 0.00 -1.21 0.00 0.00 61.69 61.13 3kl9 s THR 254 Cb 0.00 -3.31 -0.07 0.00 -1.51 0.00 0.00 72.50 67.61 3kl9 s THR 254 CO 0.00 -0.26 0.53 -0.76 -2.21 0.00 0.00 174.62 171.92 3kl9 s LEU 255 N -3.99 4.47 -0.69 9.08 1.43 -0.08 -1.59 118.68 127.31 3kl9 s LEU 255 Ca 0.69 1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 54.86 3kl9 s LEU 255 Cb -0.20 -2.93 0.18 0.00 0.03 0.00 0.00 46.19 43.26 3kl9 s LEU 255 CO 0.29 0.24 0.56 -0.63 0.23 0.00 0.00 176.35 177.04 3kl9 s ILE 256 N -1.20 4.49 -0.91 -0.59 -1.09 -0.30 -4.23 121.20 117.36 3kl9 s ILE 256 Ca 0.30 -2.67 -0.24 0.00 -2.23 0.00 0.00 60.65 55.80 3kl9 s ILE 256 Cb -0.18 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 36.88 3kl9 s ILE 256 CO 0.18 -0.93 1.45 -0.60 -1.23 0.00 0.00 174.94 173.81 3kl9 s ARG 257 N 0.14 3.36 0.17 2.79 3.52 -1.26 -1.86 118.95 125.82 3kl9 s ARG 257 Ca 0.16 -0.73 0.11 0.00 -0.13 0.00 0.00 55.73 55.14 3kl9 s ARG 257 Cb -0.17 -4.95 -0.10 0.00 -1.56 0.00 0.00 34.95 28.17 3kl9 s ARG 257 CO -0.05 -2.30 1.30 0.27 -0.81 0.00 0.00 175.30 173.72 3kl9 h PHE 258 N 10.16 0.00 -2.99 5.12 -5.15 -1.94 -3.41 116.94 118.73 3kl9 h PHE 258 Ca 0.03 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.66 3kl9 h PHE 258 Cb 1.03 0.00 -0.24 0.00 0.22 0.00 0.00 35.95 36.96 3kl9 h PHE 258 CO 1.22 0.79 -0.33 -0.47 -2.00 0.00 0.00 178.31 177.52 3kl9 s TYR 259 N -2.81 -0.31 0.21 6.09 6.14 -1.26 -1.91 117.35 123.50 3kl9 s TYR 259 Ca 0.02 0.71 -0.10 0.00 0.64 0.00 0.00 57.07 58.34 3kl9 s TYR 259 Cb 0.09 0.11 -0.01 0.00 0.42 0.00 0.00 41.96 42.57 3kl9 s TYR 259 CO 0.79 -0.22 0.36 0.16 0.64 0.00 0.00 175.55 177.28 3kl9 s ASP 260 N -0.17 -0.02 0.65 4.32 1.47 -0.47 -0.43 116.67 122.03 3kl9 s ASP 260 Ca -0.03 -0.95 0.36 0.00 1.18 0.00 0.00 52.55 53.11 3kl9 s ASP 260 Cb -0.03 0.50 1.98 0.00 -0.34 0.00 0.00 42.92 45.04 3kl9 s ASP 260 CO 0.01 -1.00 2.15 -0.65 0.68 0.00 0.00 175.17 176.36 3kl9 h PRO 261 N 2.41 0.00 -0.01 2.11 0.11 -1.79 -2.38 132.00 132.46 3kl9 h PRO 261 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3kl9 h PRO 261 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kl9 h PRO 261 CO 0.43 0.00 -0.15 0.41 -0.21 0.00 0.00 178.00 178.48 3kl9 n GLY 262 N -1.19 -0.24 3.27 -0.55 0.00 -1.26 -5.02 105.19 100.19 3kl9 n GLY 262 Ca -0.02 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.13 -0.51 -0.17 1.61 5.65 -0.90 -4.50 115.29 115.34 3kl9 s HIS 263 Ca 0.07 1.16 -0.05 0.00 0.25 0.00 0.00 55.06 56.49 3kl9 s HIS 263 Cb 0.07 0.20 -0.03 0.00 -1.18 0.00 0.00 32.58 31.64 3kl9 s HIS 263 CO 0.19 -0.28 -0.01 -0.51 -0.65 0.00 0.00 174.74 173.49 3kl9 s LEU 264 N 0.86 3.35 -0.16 8.88 1.43 -1.26 -1.37 118.68 130.42 3kl9 s LEU 264 Ca -0.05 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 3kl9 s LEU 264 Cb -0.06 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3kl9 s LEU 264 CO -0.07 0.14 1.57 -0.22 0.23 0.00 0.00 176.35 178.00 3kl9 s LEU 265 N 0.54 4.08 0.41 1.79 2.96 -0.80 -4.93 118.68 122.72 3kl9 s LEU 265 Ca -0.01 1.83 -0.24 0.00 -0.22 0.00 0.00 54.13 55.48 3kl9 s LEU 265 Cb -0.14 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 3kl9 s LEU 265 CO 0.02 -1.07 1.08 -0.76 -1.32 0.00 0.00 176.35 174.30 3kl9 s LEU 266 N 4.55 4.12 0.35 -0.68 1.43 -1.26 -4.86 118.68 122.32 3kl9 s LEU 266 Ca 0.69 2.10 0.05 0.00 -1.03 0.00 0.00 54.13 55.94 3kl9 s LEU 266 Cb -0.27 -4.18 0.69 0.00 0.03 0.00 0.00 46.19 42.46 3kl9 s LEU 266 CO 0.27 -0.57 1.94 -0.65 0.23 0.00 0.00 176.35 177.57 3kl9 h PRO 267 N 2.43 0.80 -0.41 1.29 0.11 -1.94 -0.43 132.00 133.85 3kl9 h PRO 267 Ca -0.48 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 3kl9 h PRO 267 Cb 1.22 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3kl9 h PRO 267 CO 0.62 0.53 0.04 0.78 -0.21 0.00 0.00 178.00 179.75 3kl9 h GLY 268 N 0.82 0.76 0.97 -0.55 0.00 -1.89 -1.02 103.07 102.16 3kl9 h GLY 268 Ca 0.34 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 3kl9 h GLY 268 CO -0.12 0.49 0.07 1.98 0.00 0.00 0.00 176.54 178.96 3kl9 h MET 269 N 0.55 0.77 -0.60 4.80 -1.53 -1.62 -2.46 114.93 114.85 3kl9 h MET 269 Ca 0.12 -0.21 0.03 0.00 -3.44 0.00 0.00 59.70 56.20 3kl9 h MET 269 Cb 0.42 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.34 3kl9 h MET 269 CO 0.01 0.79 0.36 -0.22 0.14 0.00 0.00 176.91 177.99 3kl9 h LYS 270 N 0.64 0.68 -0.12 0.39 3.64 -0.95 0.32 116.57 121.16 3kl9 h LYS 270 Ca 0.14 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3kl9 h LYS 270 Cb 0.40 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3kl9 h LYS 270 CO 0.01 0.45 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.15 3kl9 h ASP 271 N 0.70 -0.17 -0.27 4.20 3.32 -1.06 -1.15 116.42 121.98 3kl9 h ASP 271 Ca 0.24 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.37 3kl9 h ASP 271 Cb 0.04 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3kl9 h ASP 271 CO -0.11 -0.07 0.08 0.15 -1.72 0.00 0.00 179.24 177.57 3kl9 h PHE 272 N -0.03 0.14 0.20 4.55 3.57 -1.07 -0.68 116.94 123.62 3kl9 h PHE 272 Ca 0.07 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3kl9 h PHE 272 Cb 0.13 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3kl9 h PHE 272 CO -0.18 0.06 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.63 3kl9 h LEU 273 N 0.20 -0.71 -0.28 0.59 3.38 -0.63 -0.67 115.31 117.19 3kl9 h LEU 273 Ca 0.12 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3kl9 h LEU 273 Cb 0.10 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3kl9 h LEU 273 CO -0.14 -0.36 0.05 -0.07 0.09 0.00 0.00 178.44 178.00 3kl9 h LEU 274 N -0.51 0.44 -0.32 1.67 3.38 -1.14 -0.98 115.31 117.85 3kl9 h LEU 274 Ca 0.01 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.78 3kl9 h LEU 274 Cb 0.50 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3kl9 h LEU 274 CO -0.09 0.59 -0.08 0.74 0.09 0.00 0.00 178.44 179.69 3kl9 h THR 275 N 0.28 0.69 0.64 0.22 2.02 -1.12 -1.17 112.91 114.46 3kl9 h THR 275 Ca 0.08 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 3kl9 h THR 275 Cb 0.33 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3kl9 h THR 275 CO 0.01 0.00 -0.31 0.74 0.37 0.00 0.00 175.52 176.33 3kl9 h THR 276 N 0.00 0.27 -0.80 3.16 2.02 -0.92 -1.42 112.91 115.23 3kl9 h THR 276 Ca 0.15 -0.23 0.19 0.00 0.77 0.00 0.00 66.41 67.30 3kl9 h THR 276 Cb 0.23 0.34 -0.14 0.00 -1.74 0.00 0.00 68.15 66.84 3kl9 h THR 276 CO -0.32 0.03 0.03 0.00 0.37 0.00 0.00 175.52 175.62 3kl9 h ALA 277 N -0.79 0.88 -0.01 6.16 0.00 -1.17 -0.39 119.26 123.94 3kl9 h ALA 277 Ca -0.09 0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3kl9 h ALA 277 Cb 0.70 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3kl9 h ALA 277 CO 0.14 -0.44 -0.73 1.49 0.00 0.00 0.00 179.25 179.72 3kl9 h GLU 278 N 0.11 0.06 0.00 0.00 4.57 -1.08 0.12 114.58 118.35 3kl9 h GLU 278 Ca 0.45 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.49 3kl9 h GLU 278 Cb 0.82 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 3kl9 h GLU 278 CO -0.70 0.76 -0.39 0.93 -1.18 0.00 0.00 179.01 178.43 3kl9 h GLU 279 N 0.04 0.00 -0.59 1.92 5.08 -0.59 -3.31 114.58 117.12 3kl9 h GLU 279 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kl9 h GLU 279 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3kl9 h GLU 279 CO 0.10 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 3kl9 n ALA 280 N -2.22 2.51 -2.26 3.43 0.00 -0.22 -4.96 120.51 116.80 3kl9 n ALA 280 Ca 0.02 -1.38 -0.19 0.00 0.00 0.00 0.00 53.44 51.89 3kl9 n ALA 280 Cb 0.65 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 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 1.14 -0.11 3.73 0.00 0.00 -0.68 -4.96 105.19 104.30 3kl9 n GLY 281 Ca 0.21 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3kl9 n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl9 s ILE 282 N -2.93 4.13 -0.08 -0.61 -1.09 0.32 -5.01 121.20 115.92 3kl9 s ILE 282 Ca 0.00 1.75 -0.26 0.00 -2.23 0.00 0.00 60.65 59.91 3kl9 s ILE 282 Cb 0.00 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 3kl9 s ILE 282 CO 0.00 0.26 0.81 -0.75 -1.23 0.00 0.00 174.94 174.03 3kl9 s LYS 283 N 0.02 4.43 0.06 2.79 2.20 -1.26 -4.74 119.74 123.24 3kl9 s LYS 283 Ca 0.50 1.05 -0.07 0.00 -0.36 0.00 0.00 55.97 57.10 3kl9 s LYS 283 Cb -0.27 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 3kl9 s LYS 283 CO 0.32 -0.07 0.14 1.52 -0.36 0.00 0.00 175.35 176.90 3kl9 s TYR 284 N 1.21 0.20 -0.02 4.03 -0.85 -1.25 -1.99 117.35 118.67 3kl9 s TYR 284 Ca 0.41 -0.58 0.02 0.00 -0.52 0.00 0.00 57.07 56.41 3kl9 s TYR 284 Cb -0.18 -0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.04 3kl9 s TYR 284 CO 0.19 -0.46 -0.07 1.14 -1.52 0.00 0.00 175.55 174.83 3kl9 s GLN 285 N -3.35 0.76 0.57 -3.49 -2.07 -0.62 -4.86 119.66 106.59 3kl9 s GLN 285 Ca 0.01 -0.25 -0.20 0.00 -1.82 0.00 0.00 55.36 53.11 3kl9 s GLN 285 Cb 0.03 -0.73 -0.04 0.00 -1.09 0.00 0.00 33.01 31.18 3kl9 s GLN 285 CO -0.08 0.10 1.26 0.71 -1.32 0.00 0.00 175.29 175.95 3kl9 s TYR 286 N 0.15 2.38 -0.19 9.60 1.51 -1.26 -1.15 117.35 128.39 3kl9 s TYR 286 Ca -0.02 1.47 -0.05 0.00 -1.01 0.00 0.00 57.07 57.46 3kl9 s TYR 286 Cb -0.07 -3.59 0.10 0.00 -0.11 0.00 0.00 41.96 38.29 3kl9 s TYR 286 CO 0.00 -2.41 0.36 -0.47 -1.11 0.00 0.00 175.55 171.92 3kl9 s TYR 287 N -1.47 -0.69 -0.44 2.71 5.04 -0.78 -4.72 117.35 117.00 3kl9 s TYR 287 Ca 0.75 1.15 -0.20 0.00 -2.44 0.00 0.00 57.07 56.33 3kl9 s TYR 287 Cb -0.34 0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.11 3kl9 s TYR 287 CO 0.38 -0.52 0.59 0.00 -1.34 0.00 0.00 175.55 174.66 3kl9 s GLY 289 N 2.00 2.83 -0.00 0.00 0.00 0.43 -4.96 107.32 107.62 3kl9 s GLY 289 Ca 0.19 0.64 0.16 0.00 0.00 0.00 0.00 44.72 45.71 3kl9 s GLY 289 CO 0.17 1.10 0.70 0.28 0.00 0.00 0.00 173.10 175.35 3kl9 n LYS 290 N 0.47 1.52 -4.64 2.90 5.02 -1.26 -4.23 118.16 117.94 3kl9 n LYS 290 Ca 0.02 -0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.02 3kl9 n LYS 290 Cb 0.49 -1.28 -0.09 0.00 -0.02 0.00 0.00 35.03 34.13 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 -2.58 2.70 0.29 0.72 0.00 -1.26 -4.72 107.32 102.48 3kl9 s GLY 291 Ca 0.06 -1.22 0.06 0.00 0.00 0.00 0.00 44.72 43.62 3kl9 s GLY 291 CO 0.68 -2.05 0.40 -0.32 0.00 0.00 0.00 173.10 171.81 3kl9 s GLY 292 N -3.73 1.46 0.14 0.20 0.00 -1.26 -4.48 107.32 99.65 3kl9 s GLY 292 Ca 0.20 -1.39 -0.02 0.00 0.00 0.00 0.00 44.72 43.51 3kl9 s GLY 292 CO 0.10 -1.35 0.10 -0.51 0.00 0.00 0.00 173.10 171.44 3kl9 s THR 293 N -2.11 0.09 0.53 0.90 -4.23 -1.26 -5.04 115.64 104.52 3kl9 s THR 293 Ca 0.40 -1.85 0.45 0.00 -1.18 0.00 0.00 61.69 59.51 3kl9 s THR 293 Cb -0.09 -2.07 0.67 0.00 1.34 0.00 0.00 72.50 72.36 3kl9 s THR 293 CO 0.30 -0.39 1.61 0.44 -0.54 0.00 0.00 174.62 176.04 3kl9 h ASP 294 N 2.79 0.05 -0.16 3.99 3.32 -1.94 0.14 116.42 124.61 3kl9 h ASP 294 Ca -0.35 0.03 0.05 0.00 0.02 0.00 0.00 57.03 56.78 3kl9 h ASP 294 Cb 1.21 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3kl9 h ASP 294 CO 0.57 -0.04 0.12 0.00 -1.72 0.00 0.00 179.24 178.16 3kl9 h ALA 295 N 1.18 2.11 -0.53 3.45 0.00 -1.96 -0.15 119.26 123.36 3kl9 h ALA 295 Ca 0.87 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.72 3kl9 h ALA 295 Cb 3.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 21.15 3kl9 h ALA 295 CO -0.10 -0.20 0.08 0.78 0.00 0.00 0.00 179.25 179.82 3kl9 h GLY 296 N 0.00 0.89 0.27 0.00 0.00 -0.95 -1.83 103.07 101.46 3kl9 h GLY 296 Ca 0.07 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.70 3kl9 h GLY 296 CO -0.00 0.51 -0.77 0.00 0.00 0.00 0.00 176.54 176.29 3kl9 h ALA 297 N 1.30 0.08 -0.97 3.60 0.00 -1.60 -3.41 119.26 118.27 3kl9 h ALA 297 Ca 0.17 -0.83 0.02 0.00 0.00 0.00 0.00 54.91 54.26 3kl9 h ALA 297 Cb 0.36 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3kl9 h ALA 297 CO 0.01 0.42 0.64 0.00 0.00 0.00 0.00 179.25 180.32 3kl9 h ALA 298 N -0.10 1.25 0.00 0.00 0.00 -0.96 -2.69 119.26 116.75 3kl9 h ALA 298 Ca -0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3kl9 h ALA 298 Cb 1.37 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kl9 h ALA 298 CO -0.00 0.58 -0.07 1.12 0.00 0.00 0.00 179.25 180.87 3kl9 h HIS 299 N 1.28 0.00 -0.09 0.00 2.07 -1.48 -2.47 115.15 114.46 3kl9 h HIS 299 Ca 0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.89 3kl9 h HIS 299 Cb -0.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.88 3kl9 h HIS 299 CO -0.00 0.07 0.00 1.28 -3.07 0.00 0.00 177.93 176.21 3kl9 n LEU 300 N -3.22 1.35 -4.90 6.12 4.77 -1.01 -1.48 117.00 118.62 3kl9 n LEU 300 Ca 0.00 -0.52 -0.29 0.00 -0.03 0.00 0.00 56.01 55.17 3kl9 n LEU 300 Cb 0.33 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3kl9 n LEU 300 CO 0.29 0.26 0.23 -0.54 -1.33 0.00 0.00 177.39 176.30 3kl9 s LYS 301 N -1.89 3.64 4.53 3.23 -0.14 -0.93 -4.76 119.74 123.42 3kl9 s LYS 301 Ca 0.35 0.04 0.00 0.00 -1.36 0.00 0.00 55.97 55.00 3kl9 s LYS 301 Cb 0.18 -2.62 0.00 0.00 -1.68 0.00 0.00 37.83 33.71 3kl9 s LYS 301 CO 0.29 0.19 0.00 0.09 -0.76 0.00 0.00 175.35 175.15 3kl9 n ASN 302 N -1.00 0.00 -0.14 2.83 5.03 -1.26 -1.64 115.26 119.08 3kl9 n ASN 302 Ca -0.01 0.00 0.10 0.00 0.87 0.00 0.00 54.58 55.53 3kl9 n ASN 302 Cb 0.54 0.00 0.51 0.00 -1.02 0.00 0.00 39.78 39.81 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 -0.68 0.00 7.41 0.00 -1.26 -4.96 105.19 105.69 3kl9 n GLY 303 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.88 2.47 2.52 -0.02 0.00 -0.65 -5.10 105.19 105.29 3kl9 n GLY 304 Ca 0.15 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.42 -0.00 0.21 1.61 1.01 -0.55 -4.95 120.40 117.31 3kl9 s VAL 305 Ca 0.00 -1.22 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 3kl9 s VAL 305 Cb 0.00 -1.03 -0.15 0.00 0.00 0.00 0.00 36.38 35.20 3kl9 s VAL 305 CO 0.00 -0.84 1.07 -2.65 0.00 0.00 0.00 175.10 172.68 3kl9 n PRO 306 N 4.61 1.15 -4.09 2.72 -0.02 -1.25 -4.08 135.00 134.04 3kl9 n PRO 306 Ca 0.04 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.83 3kl9 n PRO 306 Cb 0.40 -1.83 -0.09 0.00 -0.02 0.00 0.00 33.50 31.96 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 -0.26 0.15 0.03 2.55 0.01 -1.26 -1.21 113.70 113.71 3kl9 s SER 307 Ca 0.68 -1.11 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 3kl9 s SER 307 Cb -0.81 0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.82 3kl9 s SER 307 CO 0.55 -0.85 0.05 0.35 0.41 0.00 0.00 173.24 173.75 3kl9 n THR 308 N -0.20 0.00 -3.90 1.44 -2.24 -1.02 -4.70 114.28 103.66 3kl9 n THR 308 Ca -0.04 -0.13 -0.28 0.00 -2.27 0.00 0.00 64.05 61.33 3kl9 n THR 308 Cb 0.64 0.09 -0.17 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.62 1.10 -0.60 4.28 2.01 -1.26 -0.22 115.64 118.34 3kl9 s THR 309 Ca 0.02 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.20 3kl9 s THR 309 Cb -0.00 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.31 3kl9 s THR 309 CO 0.02 0.20 1.21 -0.63 -0.69 0.00 0.00 174.62 174.73 3kl9 s ILE 310 N 1.65 3.98 0.41 1.82 -1.09 0.21 -4.62 121.20 123.56 3kl9 s ILE 310 Ca 0.02 0.85 0.04 0.00 -2.23 0.00 0.00 60.65 59.32 3kl9 s ILE 310 Cb -0.14 -4.74 -0.04 0.00 -1.58 0.00 0.00 42.46 35.95 3kl9 s ILE 310 CO -0.08 -1.39 0.05 -0.83 -1.23 0.00 0.00 174.94 171.46 3kl9 s GLY 311 N 3.10 2.56 -0.18 6.18 0.00 -1.26 -3.20 107.32 114.52 3kl9 s GLY 311 Ca 0.43 -1.44 -0.20 0.00 0.00 0.00 0.00 44.72 43.50 3kl9 s GLY 311 CO 0.24 -1.98 0.54 0.14 0.00 0.00 0.00 173.10 172.04 3kl9 s VAL 312 N -3.04 0.00 0.23 1.40 1.01 -1.25 -0.90 120.40 117.85 3kl9 s VAL 312 Ca 0.25 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.21 3kl9 s VAL 312 Cb 0.05 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3kl9 s VAL 312 CO 0.12 -0.02 0.38 0.00 0.00 0.00 0.00 175.10 175.58 3kl9 s ALA 314 N -1.96 -0.69 0.23 0.00 0.00 0.58 -4.72 121.76 115.20 3kl9 s ALA 314 Ca 0.36 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 3kl9 s ALA 314 Cb -0.10 -0.36 -0.09 0.00 0.00 0.00 0.00 23.12 22.58 3kl9 s ALA 314 CO 0.30 -0.15 0.99 1.03 0.00 0.00 0.00 175.76 177.93 3kl9 s ARG 315 N -0.14 4.77 -0.88 0.00 0.52 0.13 -0.32 118.95 123.03 3kl9 s ARG 315 Ca -0.03 1.57 -0.02 0.00 -0.52 0.00 0.00 55.73 56.74 3kl9 s ARG 315 Cb -0.03 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 3kl9 s ARG 315 CO 0.01 0.37 0.74 0.66 0.02 0.00 0.00 175.30 177.11 3kl9 n TYR 316 N 1.68 -1.77 -1.57 -0.53 4.01 -1.26 -1.30 117.16 116.42 3kl9 n TYR 316 Ca -0.01 0.70 -0.33 0.00 -0.16 0.00 0.00 57.90 58.10 3kl9 n TYR 316 Cb 0.47 -4.12 0.07 0.00 -0.31 0.00 0.00 39.34 35.44 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 -3.29 2.99 -1.11 -0.72 1.09 -1.26 -3.96 121.20 114.95 3kl9 s ILE 317 Ca 0.14 0.44 -0.01 0.00 -1.10 0.00 0.00 60.65 60.12 3kl9 s ILE 317 Cb -0.02 -2.94 -0.01 0.00 -1.06 0.00 0.00 42.46 38.44 3kl9 s ILE 317 CO 0.56 -0.30 0.93 1.41 -0.10 0.00 0.00 174.94 177.44 3kl9 n HIS 318 N -2.72 -2.09 -3.73 3.97 8.25 -1.26 -5.01 115.22 112.62 3kl9 n HIS 318 Ca 0.11 0.87 -0.09 0.00 -0.26 0.00 0.00 57.72 58.36 3kl9 n HIS 318 Cb 0.52 -4.78 0.01 0.00 1.12 0.00 0.00 29.99 26.86 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 -3.02 -1.71 0.15 0.41 3.41 -1.26 -4.76 113.62 106.85 3kl9 n SER 319 Ca -0.24 -2.38 0.12 0.00 -0.26 0.00 0.00 58.87 56.11 3kl9 n SER 319 Cb 0.65 2.91 0.23 0.00 -0.26 0.00 0.00 64.21 67.75 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 1.82 0.00 -2.67 7.33 3.86 -1.88 -3.38 115.15 120.23 3kl9 h HIS 320 Ca -0.27 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.34 3kl9 h HIS 320 Cb 1.01 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 29.08 3kl9 h HIS 320 CO 0.00 0.00 -0.74 1.04 0.86 0.00 0.00 177.93 179.09 3kl9 n GLN 321 N -2.68 1.34 -3.63 2.45 1.13 -1.26 -3.50 117.38 111.25 3kl9 n GLN 321 Ca 0.04 -4.02 -0.37 0.00 -1.94 0.00 0.00 57.00 50.71 3kl9 n GLN 321 Cb 0.49 -2.02 -0.07 0.00 0.11 0.00 0.00 30.24 28.76 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 -1.12 5.29 -0.16 5.09 2.01 0.49 -4.72 115.64 122.52 3kl9 s THR 322 Ca 0.30 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.81 3kl9 s THR 322 Cb 0.02 -3.58 -0.00 0.00 0.01 0.00 0.00 72.50 68.95 3kl9 s THR 322 CO -0.15 0.50 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.91 3kl9 s LEU 323 N -0.32 2.50 0.10 4.42 0.20 -0.42 -1.61 118.68 123.54 3kl9 s LEU 323 Ca 0.17 -0.47 -0.13 0.00 0.69 0.00 0.00 54.13 54.40 3kl9 s LEU 323 Cb -0.14 -1.57 0.02 0.00 -0.43 0.00 0.00 46.19 44.07 3kl9 s LEU 323 CO 0.06 0.08 0.30 -0.72 -0.29 0.00 0.00 176.35 175.78 3kl9 s TYR 324 N 0.86 -0.05 -0.17 5.38 -0.85 -0.84 -0.70 117.35 120.98 3kl9 s TYR 324 Ca -0.04 -0.29 -0.13 0.00 -0.52 0.00 0.00 57.07 56.09 3kl9 s TYR 324 Cb -0.15 0.11 -0.05 0.00 0.38 0.00 0.00 41.96 42.25 3kl9 s TYR 324 CO -0.01 -0.61 0.25 0.00 -1.52 0.00 0.00 175.55 173.66 3kl9 s ALA 325 N -3.68 3.62 0.32 9.51 0.00 -1.26 -0.71 121.76 129.55 3kl9 s ALA 325 Ca 0.03 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3kl9 s ALA 325 Cb 0.03 -2.34 0.54 0.00 0.00 0.00 0.00 23.12 21.35 3kl9 s ALA 325 CO -0.11 0.09 1.81 0.52 0.00 0.00 0.00 175.76 178.08 3kl9 h MET 326 N 6.72 0.48 -0.98 0.00 2.86 -1.82 -2.60 114.93 119.58 3kl9 h MET 326 Ca -0.41 -0.13 0.11 0.00 -2.06 0.00 0.00 59.70 57.21 3kl9 h MET 326 Cb 1.16 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.69 3kl9 h MET 326 CO 0.76 0.60 0.62 0.22 1.06 0.00 0.00 176.91 180.17 3kl9 h ASP 327 N 0.45 0.90 -0.39 1.22 3.58 -1.94 -2.56 116.42 117.68 3kl9 h ASP 327 Ca 0.08 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 3kl9 h ASP 327 Cb 0.48 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 3kl9 h ASP 327 CO 0.03 0.50 0.05 0.44 -2.88 0.00 0.00 179.24 177.38 3kl9 h ASP 328 N 0.98 0.63 -0.70 2.28 3.32 -1.81 -2.36 116.42 118.76 3kl9 h ASP 328 Ca 0.48 -0.27 0.13 0.00 0.02 0.00 0.00 57.03 57.39 3kl9 h ASP 328 Cb 0.47 -0.17 -0.09 0.00 0.22 0.00 0.00 39.33 39.76 3kl9 h ASP 328 CO -0.24 0.74 0.24 0.15 -1.72 0.00 0.00 179.24 178.41 3kl9 h PHE 329 N 0.50 0.40 -0.64 4.55 3.57 -1.48 0.80 116.94 124.64 3kl9 h PHE 329 Ca 0.12 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3kl9 h PHE 329 Cb 0.39 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3kl9 h PHE 329 CO 0.03 0.03 0.19 -0.07 -2.23 0.00 0.00 178.31 176.26 3kl9 h LEU 330 N 0.38 0.92 -0.37 0.59 3.38 -1.16 0.16 115.31 119.20 3kl9 h LEU 330 Ca 0.38 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 3kl9 h LEU 330 Cb 0.57 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3kl9 h LEU 330 CO -0.40 0.86 -0.34 -0.33 0.09 0.00 0.00 178.44 178.32 3kl9 h GLU 331 N 0.95 0.89 -0.27 1.13 4.39 -0.79 -1.30 114.58 119.57 3kl9 h GLU 331 Ca 0.21 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 3kl9 h GLU 331 Cb 0.28 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3kl9 h GLU 331 CO -0.01 1.11 0.11 0.00 -1.16 0.00 0.00 179.01 179.07 3kl9 h ALA 332 N 0.77 0.35 -0.37 3.43 0.00 -0.60 -1.34 119.26 121.50 3kl9 h ALA 332 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kl9 h ALA 332 Cb 0.93 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3kl9 h ALA 332 CO 0.09 -0.06 0.21 0.37 0.00 0.00 0.00 179.25 179.86 3kl9 h GLN 333 N 0.29 0.50 -0.83 0.00 5.75 -0.66 0.15 115.11 120.31 3kl9 h GLN 333 Ca 0.09 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3kl9 h GLN 333 Cb 0.16 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 3kl9 h GLN 333 CO -0.01 0.39 0.37 0.00 -2.65 0.00 0.00 178.83 176.93 3kl9 h ALA 334 N 1.08 1.08 -0.62 3.38 0.00 -1.22 -1.61 119.26 121.35 3kl9 h ALA 334 Ca 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3kl9 h ALA 334 Cb 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3kl9 h ALA 334 CO -0.02 0.67 0.16 0.35 0.00 0.00 0.00 179.25 180.41 3kl9 h PHE 335 N 1.20 1.04 -0.18 0.00 -0.00 -0.78 -1.68 116.94 116.53 3kl9 h PHE 335 Ca 0.28 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.97 58.12 3kl9 h PHE 335 Cb 0.17 -0.29 -0.01 0.00 -0.00 0.00 0.00 35.95 35.81 3kl9 h PHE 335 CO 0.02 0.87 0.08 1.25 -0.00 0.00 0.00 178.31 180.53 3kl9 h LEU 336 N 0.91 0.24 -0.17 0.59 6.46 -0.46 -0.94 115.31 121.94 3kl9 h LEU 336 Ca 0.20 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 3kl9 h LEU 336 Cb 0.35 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 3kl9 h LEU 336 CO 0.00 0.31 -0.02 1.56 -0.62 0.00 0.00 178.44 179.68 3kl9 h GLN 337 N 0.15 0.03 -0.62 1.25 4.20 -1.23 -0.90 115.11 118.01 3kl9 h GLN 337 Ca 0.06 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.80 3kl9 h GLN 337 Cb 0.14 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3kl9 h GLN 337 CO -0.01 0.02 0.41 0.00 -0.67 0.00 0.00 178.83 178.58 3kl9 h ALA 338 N 1.16 1.66 0.12 3.87 0.00 -1.15 -0.75 119.26 124.17 3kl9 h ALA 338 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kl9 h ALA 338 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kl9 h ALA 338 CO -0.15 0.27 -0.06 -0.07 0.00 0.00 0.00 179.25 179.24 3kl9 h LEU 339 N 0.73 -0.14 -1.17 0.00 3.38 -0.62 -2.84 115.31 114.66 3kl9 h LEU 339 Ca 0.25 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3kl9 h LEU 339 Cb 0.07 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kl9 h LEU 339 CO -0.07 0.39 -0.07 -0.37 0.09 0.00 0.00 178.44 178.41 3kl9 h VAL 340 N -0.72 1.21 0.00 1.22 -1.51 -1.02 -1.05 116.25 114.38 3kl9 h VAL 340 Ca -0.02 -0.90 -0.05 0.00 -1.23 0.00 0.00 66.70 64.50 3kl9 h VAL 340 Cb 0.53 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 3kl9 h VAL 340 CO 0.03 0.30 -0.26 0.11 -1.23 0.00 0.00 177.57 176.52 3kl9 h LYS 341 N 0.46 0.00 -0.02 5.19 1.57 -1.21 -3.03 116.57 119.53 3kl9 h LYS 341 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3kl9 h LYS 341 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3kl9 h LYS 341 CO 0.02 0.26 -0.21 1.17 -0.57 0.00 0.00 179.45 180.12 3kl9 n LYS 342 N -4.03 1.77 -2.83 3.15 4.81 -0.71 -4.65 118.16 115.67 3kl9 n LYS 342 Ca -0.02 -1.46 -0.43 0.00 -0.87 0.00 0.00 58.31 55.54 3kl9 n LYS 342 Cb 0.33 -1.44 -0.04 0.00 0.02 0.00 0.00 35.03 33.89 3kl9 n LYS 342 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kl9 s LEU 343 N -2.14 4.02 0.00 3.14 1.43 -0.48 -4.72 118.68 119.93 3kl9 s LEU 343 Ca 0.23 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.61 3kl9 s LEU 343 Cb 0.18 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3kl9 s LEU 343 CO 0.41 -0.95 0.15 -0.90 0.23 0.00 0.00 176.35 175.28 3kl9 n ASP 344 N 6.96 -0.41 -0.24 2.29 3.85 -1.26 -3.33 116.55 124.41 3kl9 n ASP 344 Ca 0.06 -1.54 0.02 0.00 -0.71 0.00 0.00 54.79 52.63 3kl9 n ASP 344 Cb 0.48 0.75 0.15 0.00 -1.35 0.00 0.00 41.12 41.15 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 0.45 -0.20 0.11 9.65 -1.83 -0.61 114.38 121.95 3kl9 h ARG 345 Ca -0.08 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 3kl9 h ARG 345 Cb 0.34 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3kl9 h ARG 345 CO 0.11 0.30 0.08 0.77 2.80 0.00 0.00 179.97 184.02 3kl9 h SER 346 N 0.46 0.27 -0.08 -3.80 0.02 -1.96 -2.36 113.55 106.10 3kl9 h SER 346 Ca 0.36 -0.16 -0.24 0.00 -0.84 0.00 0.00 61.79 60.91 3kl9 h SER 346 Cb 0.48 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 62.97 3kl9 h SER 346 CO -0.34 0.36 -0.90 0.71 -1.14 0.00 0.00 176.83 175.52 3kl9 h THR 347 N 0.17 1.28 0.00 -2.27 1.35 -1.72 -1.37 112.91 110.35 3kl9 h THR 347 Ca 0.07 -2.09 -0.12 0.00 -0.55 0.00 0.00 66.41 63.71 3kl9 h THR 347 Cb 0.17 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 3kl9 h THR 347 CO -0.01 0.66 -0.56 -0.37 -0.25 0.00 0.00 175.52 175.00 3kl9 h VAL 348 N 0.46 1.31 -0.53 6.82 -1.51 -1.23 -0.28 116.25 121.30 3kl9 h VAL 348 Ca -0.09 -1.96 -0.07 0.00 -1.23 0.00 0.00 66.70 63.35 3kl9 h VAL 348 Cb 1.54 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 32.76 3kl9 h VAL 348 CO 0.18 0.54 0.04 0.44 -1.23 0.00 0.00 177.57 177.54 3kl9 h ASP 349 N 0.00 0.83 -0.25 4.19 5.19 -1.38 -1.09 116.42 123.92 3kl9 h ASP 349 Ca -0.01 -0.19 -0.19 0.00 -0.62 0.00 0.00 57.03 56.03 3kl9 h ASP 349 Cb 1.04 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.33 3kl9 h ASP 349 CO 0.07 0.87 -0.56 0.25 -3.12 0.00 0.00 179.24 176.75 3kl9 h LEU 350 N 0.81 0.94 -0.77 1.55 6.46 -0.87 -1.78 115.31 121.65 3kl9 h LEU 350 Ca 0.16 -0.51 0.03 0.00 -0.12 0.00 0.00 57.88 57.44 3kl9 h LEU 350 Cb 0.43 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 3kl9 h LEU 350 CO 0.02 1.30 0.49 0.40 -0.62 0.00 0.00 178.44 180.03 3kl9 h ILE 351 N 0.64 1.11 -0.58 4.05 2.04 -0.92 -2.33 117.51 121.53 3kl9 h ILE 351 Ca 0.01 -0.33 -0.26 0.00 1.00 0.00 0.00 64.86 65.28 3kl9 h ILE 351 Cb 1.16 0.07 -0.16 0.00 -0.74 0.00 0.00 36.82 37.16 3kl9 h ILE 351 CO 0.12 0.17 0.33 0.29 0.00 0.00 0.00 178.15 179.07 3kl9 n LYS 352 N -4.62 2.16 -2.28 2.37 5.02 -0.42 -4.35 118.16 116.04 3kl9 n LYS 352 Ca 0.09 -1.94 -0.38 0.00 -2.02 0.00 0.00 58.31 54.06 3kl9 n LYS 352 Cb 0.09 -1.80 -0.03 0.00 -0.02 0.00 0.00 35.03 33.27 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 -2.11 2.00 -1.01 2.13 2.46 -0.70 -4.97 115.29 113.09 3kl9 s HIS 353 Ca 0.36 0.29 0.08 0.00 0.47 0.00 0.00 55.06 56.26 3kl9 s HIS 353 Cb 0.30 -4.35 0.06 0.00 -0.13 0.00 0.00 32.58 28.46 3kl9 s HIS 353 CO 0.08 -2.12 0.76 0.66 -2.47 0.00 0.00 174.74 171.64