#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 0.16 -0.12 -1.46 2.07 -2.01 -2.53 114.93 111.05 3kl9 h MET 1 Ca 0.00 -0.07 -0.01 0.00 -2.07 0.00 0.00 59.70 57.55 3kl9 h MET 1 Cb 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 3kl9 h MET 1 CO 0.00 0.54 0.05 1.15 1.07 0.00 0.00 176.91 179.73 3kl9 h THR 2 N 0.14 1.14 -0.73 2.22 2.02 -1.99 0.14 112.91 115.84 3kl9 h THR 2 Ca 0.01 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 3kl9 h THR 2 Cb 0.78 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 3kl9 h THR 2 CO 0.06 0.12 0.29 0.74 0.37 0.00 0.00 175.52 177.10 3kl9 h THR 3 N 0.06 1.25 -0.13 3.16 2.02 -1.98 -1.01 112.91 116.27 3kl9 h THR 3 Ca 0.04 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3kl9 h THR 3 Cb 0.15 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3kl9 h THR 3 CO -0.00 0.32 0.01 0.25 0.37 0.00 0.00 175.52 176.47 3kl9 h LEU 4 N 1.05 -0.02 -1.22 2.58 6.46 -1.17 -0.96 115.31 122.02 3kl9 h LEU 4 Ca 0.24 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 3kl9 h LEU 4 Cb 0.22 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 3kl9 h LEU 4 CO -0.02 0.01 0.31 0.15 -0.62 0.00 0.00 178.44 178.27 3kl9 h PHE 5 N 0.06 0.83 -0.80 1.25 3.04 -0.58 -1.44 116.94 119.30 3kl9 h PHE 5 Ca 0.06 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 3kl9 h PHE 5 Cb 0.06 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.27 3kl9 h PHE 5 CO -0.13 0.60 0.36 0.77 -2.02 0.00 0.00 178.31 177.88 3kl9 h SER 6 N 0.85 1.07 -0.43 0.41 0.02 -0.71 0.11 113.55 114.87 3kl9 h SER 6 Ca 0.21 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 3kl9 h SER 6 Cb 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3kl9 h SER 6 CO -0.03 0.93 -0.26 0.11 -1.14 0.00 0.00 176.83 176.44 3kl9 h LYS 7 N 1.15 0.96 -0.11 3.45 1.57 -0.80 -2.47 116.57 120.31 3kl9 h LYS 7 Ca 0.27 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3kl9 h LYS 7 Cb 0.16 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kl9 h LYS 7 CO -0.03 1.09 -0.02 0.82 -0.57 0.00 0.00 179.45 180.75 3kl9 h ILE 8 N 0.81 1.28 -0.78 1.86 2.04 -1.04 -2.95 117.51 118.73 3kl9 h ILE 8 Ca 0.10 -0.92 0.15 0.00 1.00 0.00 0.00 64.86 65.18 3kl9 h ILE 8 Cb 0.84 1.68 -0.10 0.00 -0.74 0.00 0.00 36.82 38.50 3kl9 h ILE 8 CO 0.07 0.26 0.34 0.50 0.00 0.00 0.00 178.15 179.32 3kl9 h LYS 9 N -0.10 0.47 0.46 2.37 3.64 -0.74 -1.02 116.57 121.65 3kl9 h LYS 9 Ca 0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3kl9 h LYS 9 Cb 0.42 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3kl9 h LYS 9 CO 0.01 0.31 -0.22 1.49 -2.27 0.00 0.00 179.45 178.77 3kl9 h GLU 10 N 0.48 -0.60 -0.26 1.90 4.81 -1.40 -2.44 114.58 117.08 3kl9 h GLU 10 Ca 0.43 0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.56 3kl9 h GLU 10 Cb 0.65 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3kl9 h GLU 10 CO -0.40 -0.36 -0.40 -0.39 -0.73 0.00 0.00 179.01 176.73 3kl9 h VAL 11 N -0.70 1.30 0.00 0.32 -1.51 -1.33 -2.96 116.25 111.37 3kl9 h VAL 11 Ca -0.06 -1.57 0.00 0.00 -1.23 0.00 0.00 66.70 63.84 3kl9 h VAL 11 Cb 0.52 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3kl9 h VAL 11 CO 0.10 0.50 0.00 0.71 -1.23 0.00 0.00 177.57 177.65 3kl9 h THR 12 N 0.51 0.00 -0.01 7.19 1.35 -1.23 -3.07 112.91 117.66 3kl9 h THR 12 Ca 0.04 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3kl9 h THR 12 Cb 0.92 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3kl9 h THR 12 CO 0.08 0.00 -0.40 -0.62 -0.25 0.00 0.00 175.52 174.33 3kl9 n GLU 13 N -2.92 0.80 -1.92 4.72 1.02 -0.92 -4.66 120.64 116.77 3kl9 n GLU 13 Ca 0.03 -0.56 -0.35 0.00 -0.02 0.00 0.00 57.16 56.26 3kl9 n GLU 13 Cb 0.40 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.37 3kl9 n GLU 13 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kl9 s LEU 14 N -2.58 3.59 -0.25 -4.62 1.43 -1.14 -5.03 118.68 110.07 3kl9 s LEU 14 Ca 0.20 2.31 -0.00 0.00 -1.03 0.00 0.00 54.13 55.61 3kl9 s LEU 14 Cb 0.18 -4.59 0.04 0.00 0.03 0.00 0.00 46.19 41.85 3kl9 s LEU 14 CO 0.58 -1.66 -0.07 0.00 0.23 0.00 0.00 176.35 175.43 3kl9 s ALA 15 N -1.77 2.66 -0.34 4.21 0.00 -1.26 -5.05 121.76 120.22 3kl9 s ALA 15 Ca 0.75 -1.56 0.07 0.00 0.00 0.00 0.00 51.96 51.22 3kl9 s ALA 15 Cb -0.28 -1.67 0.19 0.00 0.00 0.00 0.00 23.12 21.36 3kl9 s ALA 15 CO 0.35 -0.94 0.61 0.00 0.00 0.00 0.00 175.76 175.78 3kl9 s ALA 16 N 1.26 -2.40 0.60 0.00 0.00 -1.26 -4.67 121.76 115.29 3kl9 s ALA 16 Ca -0.02 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 3kl9 s ALA 16 Cb -0.18 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 3kl9 s ALA 16 CO -0.05 -1.99 0.96 0.08 0.00 0.00 0.00 175.76 174.76 3kl9 s VAL 17 N 2.43 4.10 0.18 0.00 1.01 -1.26 -0.47 120.40 126.39 3kl9 s VAL 17 Ca 0.13 0.36 -0.32 0.00 0.00 0.00 0.00 61.98 62.14 3kl9 s VAL 17 Cb -0.08 -3.64 -0.16 0.00 0.00 0.00 0.00 36.38 32.51 3kl9 s VAL 17 CO -0.18 -0.74 1.09 -1.20 0.00 0.00 0.00 175.10 174.07 3kl9 n SER 18 N -2.66 1.07 0.00 3.32 7.64 -1.24 -0.93 113.62 120.82 3kl9 n SER 18 Ca 0.05 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3kl9 n SER 18 Cb 0.56 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 1.90 2.89 2.38 0.23 0.00 -1.26 -4.83 105.19 106.50 3kl9 n GLY 19 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3kl9 n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kl9 n HIS 20 N -2.00 2.39 -0.21 1.61 -0.00 -0.11 -4.87 115.22 112.03 3kl9 n HIS 20 Ca 0.00 -2.47 0.07 0.00 -0.00 0.00 0.00 57.72 55.32 3kl9 n HIS 20 Cb 0.00 -0.26 0.29 0.00 -0.00 0.00 0.00 29.99 30.02 3kl9 n HIS 20 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 3kl9 n GLU 21 N -0.56 3.38 -0.29 -0.41 0.00 -1.24 -4.14 120.64 117.37 3kl9 n GLU 21 Ca 0.31 -2.27 0.09 0.00 0.00 0.00 0.00 57.16 55.28 3kl9 n GLU 21 Cb 0.85 -1.85 0.22 0.00 0.00 0.00 0.00 31.44 30.65 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 3.72 0.98 0.00 -1.84 0.00 -1.92 -0.55 119.26 119.66 3kl9 h ALA 22 Ca 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3kl9 h ALA 22 Cb 1.32 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3kl9 h ALA 22 CO 0.24 -0.47 -0.29 -1.35 0.00 0.00 0.00 179.25 177.39 3kl9 h PRO 23 N 0.10 0.00 0.14 0.00 0.11 -1.83 -0.62 132.00 129.91 3kl9 h PRO 23 Ca 0.49 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.32 3kl9 h PRO 23 Cb 0.93 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.05 3kl9 h PRO 23 CO -0.74 0.29 -1.27 0.28 -0.21 0.00 0.00 178.00 176.35 3kl9 h VAL 24 N 0.00 1.47 -0.62 3.15 2.07 -1.64 -3.05 116.25 117.63 3kl9 h VAL 24 Ca -0.00 -3.00 0.03 0.00 0.82 0.00 0.00 66.70 64.55 3kl9 h VAL 24 Cb 0.60 2.95 -0.04 0.00 -1.52 0.00 0.00 31.29 33.28 3kl9 h VAL 24 CO 0.04 0.88 0.39 -0.09 0.02 0.00 0.00 177.57 178.80 3kl9 h ARG 25 N 0.09 0.74 -0.46 1.57 2.43 -0.74 -1.57 114.38 116.43 3kl9 h ARG 25 Ca -0.15 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3kl9 h ARG 25 Cb 1.99 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.35 3kl9 h ARG 25 CO 0.21 0.49 0.28 0.00 -1.51 0.00 0.00 179.97 179.45 3kl9 h ALA 26 N 1.27 1.63 -0.31 2.80 0.00 -1.18 0.71 119.26 124.17 3kl9 h ALA 26 Ca 0.25 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3kl9 h ALA 26 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kl9 h ALA 26 CO -0.10 0.33 -0.10 -0.92 0.00 0.00 0.00 179.25 178.46 3kl9 h TYR 27 N 0.64 0.69 0.00 0.00 5.03 -1.28 -2.69 116.97 119.36 3kl9 h TYR 27 Ca 0.17 -0.16 -0.13 0.00 2.58 0.00 0.00 58.73 61.19 3kl9 h TYR 27 Cb -0.03 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.06 3kl9 h TYR 27 CO 0.00 0.81 -0.62 -0.07 -1.32 0.00 0.00 178.16 176.96 3kl9 h LEU 28 N 0.38 0.00 0.05 2.82 3.38 -0.79 -2.77 115.31 118.37 3kl9 h LEU 28 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kl9 h LEU 28 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kl9 h LEU 28 CO 0.04 0.62 -0.02 -0.09 0.09 0.00 0.00 178.44 179.07 3kl9 h ARG 29 N 0.00 -0.06 0.00 1.13 2.43 -0.87 0.10 114.38 117.11 3kl9 h ARG 29 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3kl9 h ARG 29 Cb 1.22 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3kl9 h ARG 29 CO 0.08 -0.01 -0.09 1.49 -1.51 0.00 0.00 179.97 179.93 3kl9 h GLU 30 N -0.10 0.00 0.00 0.20 4.81 -1.41 -2.27 114.58 115.81 3kl9 h GLU 30 Ca -0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3kl9 h GLU 30 Cb 0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3kl9 h GLU 30 CO 0.01 0.09 -1.54 1.63 -0.73 0.00 0.00 179.01 178.47 3kl9 n LYS 31 N -4.43 0.63 -0.03 1.92 5.02 -1.05 -4.45 118.16 115.77 3kl9 n LYS 31 Ca -0.03 0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 3kl9 n LYS 31 Cb 0.17 -1.70 -0.13 0.00 -0.02 0.00 0.00 35.03 33.35 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 0.23 -0.86 -0.35 4.07 -0.70 -3.42 115.31 114.28 3kl9 h LEU 32 Ca -0.08 -0.79 0.14 0.00 0.08 0.00 0.00 57.88 57.23 3kl9 h LEU 32 Cb 1.23 -0.07 -0.15 0.00 1.08 0.00 0.00 40.66 42.75 3kl9 h LEU 32 CO 0.01 1.50 -0.36 0.74 -1.08 0.00 0.00 178.44 179.25 3kl9 h THR 33 N -0.58 0.06 0.00 0.22 2.02 -1.62 -0.63 112.91 112.38 3kl9 h THR 33 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3kl9 h THR 33 Cb 1.54 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3kl9 h THR 33 CO -0.02 0.00 0.00 -0.65 0.37 0.00 0.00 175.52 175.22 3kl9 h PRO 34 N -0.05 0.00 -0.08 6.66 0.11 -1.81 -3.23 132.00 133.60 3kl9 h PRO 34 Ca 0.32 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.40 3kl9 h PRO 34 Cb 0.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3kl9 h PRO 34 CO -0.89 0.00 -0.14 0.72 -0.21 0.00 0.00 178.00 177.48 3kl9 n HIS 35 N -2.70 0.27 -3.62 0.65 8.25 -0.25 -5.01 115.22 112.81 3kl9 n HIS 35 Ca -0.01 -1.18 -0.16 0.00 -0.26 0.00 0.00 57.72 56.11 3kl9 n HIS 35 Cb 0.15 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 30.95 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 -3.01 0.02 0.14 1.59 1.01 -1.20 -4.62 120.40 114.33 3kl9 s VAL 36 Ca 0.37 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.22 3kl9 s VAL 36 Cb 0.33 -0.84 -0.17 0.00 0.00 0.00 0.00 36.38 35.69 3kl9 s VAL 36 CO 0.01 -0.11 1.33 0.44 0.00 0.00 0.00 175.10 176.77 3kl9 h ASP 37 N 3.36 0.00 -4.58 3.32 3.32 -1.71 -3.47 116.42 116.66 3kl9 h ASP 37 Ca -0.28 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.62 3kl9 h ASP 37 Cb 1.16 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.48 3kl9 h ASP 37 CO 0.39 0.93 -0.44 -0.70 -1.72 0.00 0.00 179.24 177.70 3kl9 s GLU 38 N -2.85 0.44 -0.11 3.56 2.12 -1.15 -5.00 118.70 115.71 3kl9 s GLU 38 Ca 0.01 -0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.25 3kl9 s GLU 38 Cb 0.10 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.69 3kl9 s GLU 38 CO 0.81 -0.10 -0.23 0.08 -0.54 0.00 0.00 175.26 175.28 3kl9 s VAL 39 N -0.86 2.04 0.23 3.70 1.01 -1.26 -0.38 120.40 124.88 3kl9 s VAL 39 Ca -0.09 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.93 3kl9 s VAL 39 Cb -0.05 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3kl9 s VAL 39 CO 0.02 0.55 -0.03 0.68 0.00 0.00 0.00 175.10 176.32 3kl9 s VAL 40 N 0.45 1.22 0.07 2.92 -7.23 0.63 -4.99 120.40 113.47 3kl9 s VAL 40 Ca -0.16 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 57.99 3kl9 s VAL 40 Cb -0.17 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 3kl9 s VAL 40 CO 0.07 -0.38 -0.12 0.28 -0.31 0.00 0.00 175.10 174.64 3kl9 s THR 41 N -3.30 0.96 0.36 5.32 -1.32 -1.26 -0.70 115.64 115.71 3kl9 s THR 41 Ca 0.27 -1.29 0.06 0.00 -1.21 0.00 0.00 61.69 59.51 3kl9 s THR 41 Cb 0.05 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.03 3kl9 s THR 41 CO 0.08 -0.30 0.51 1.51 -2.21 0.00 0.00 174.62 174.21 3kl9 s ASP 42 N -1.79 5.92 0.60 8.08 1.47 0.02 -4.97 116.67 126.01 3kl9 s ASP 42 Ca -0.03 -0.14 0.29 0.00 1.18 0.00 0.00 52.55 53.85 3kl9 s ASP 42 Cb -0.09 -1.23 1.54 0.00 -0.34 0.00 0.00 42.92 42.79 3kl9 s ASP 42 CO 0.02 -0.50 1.94 1.23 0.68 0.00 0.00 175.17 178.54 3kl9 h GLY 43 N 0.80 0.00 0.07 2.12 0.00 -1.90 -1.40 103.07 102.76 3kl9 h GLY 43 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3kl9 h GLY 43 CO 0.53 0.00 -0.89 1.04 0.00 0.00 0.00 176.54 177.22 3kl9 n LEU 44 N -3.62 1.00 0.00 3.11 4.32 -1.26 -4.98 117.00 115.56 3kl9 n LEU 44 Ca 0.05 -0.45 0.00 0.00 -0.02 0.00 0.00 56.01 55.60 3kl9 n LEU 44 Cb 0.55 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 3kl9 n LEU 44 CO 0.26 0.24 0.00 0.61 -1.22 0.00 0.00 177.39 177.28 3kl9 n GLY 45 N 1.49 1.17 3.74 -0.72 0.00 -0.53 -4.96 105.19 105.39 3kl9 n GLY 45 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kl9 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 46 N -0.78 2.20 -0.10 -0.02 0.00 -1.26 -4.76 107.32 102.60 3kl9 s GLY 46 Ca 0.00 1.38 -0.03 0.00 0.00 0.00 0.00 44.72 46.07 3kl9 s GLY 46 CO 0.00 2.37 0.03 -0.26 0.00 0.00 0.00 173.10 175.24 3kl9 s ILE 47 N 0.11 4.57 -0.03 0.90 -5.25 -1.15 -0.80 121.20 119.56 3kl9 s ILE 47 Ca 0.61 -0.14 -0.01 0.00 -0.99 0.00 0.00 60.65 60.12 3kl9 s ILE 47 Cb -0.43 -2.95 0.03 0.00 2.95 0.00 0.00 42.46 42.06 3kl9 s ILE 47 CO 0.43 0.60 0.05 -0.36 -1.79 0.00 0.00 174.94 173.87 3kl9 s PHE 48 N -0.81 -0.02 0.16 1.37 0.40 0.13 -1.93 117.98 117.26 3kl9 s PHE 48 Ca 0.13 0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 56.45 3kl9 s PHE 48 Cb -0.12 -0.16 -0.08 0.00 0.51 0.00 0.00 43.02 43.18 3kl9 s PHE 48 CO 0.03 -0.09 0.67 0.20 0.70 0.00 0.00 175.22 176.72 3kl9 s GLY 49 N 0.90 2.69 -0.20 4.36 0.00 0.30 -0.27 107.32 115.12 3kl9 s GLY 49 Ca -0.07 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 44.75 3kl9 s GLY 49 CO -0.03 0.55 -0.03 -0.42 0.00 0.00 0.00 173.10 173.16 3kl9 s ILE 50 N -1.30 3.64 -0.40 0.90 1.01 0.49 0.09 121.20 125.62 3kl9 s ILE 50 Ca 0.36 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 3kl9 s ILE 50 Cb -0.19 -2.63 0.08 0.00 0.01 0.00 0.00 42.46 39.73 3kl9 s ILE 50 CO 0.21 0.44 0.22 -0.75 0.00 0.00 0.00 174.94 175.06 3kl9 s LYS 51 N 1.04 2.46 0.59 2.79 2.20 0.94 -2.07 119.74 127.69 3kl9 s LYS 51 Ca 0.01 -1.51 -0.18 0.00 -0.36 0.00 0.00 55.97 53.93 3kl9 s LYS 51 Cb -0.15 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 3kl9 s LYS 51 CO 0.01 -0.94 1.17 -1.01 -0.36 0.00 0.00 175.35 174.22 3kl9 s HIS 52 N 1.35 2.48 0.03 4.03 3.76 -1.26 -2.10 115.29 123.57 3kl9 s HIS 52 Ca 0.03 1.53 0.06 0.00 -0.15 0.00 0.00 55.06 56.54 3kl9 s HIS 52 Cb -0.23 -3.39 -0.03 0.00 1.11 0.00 0.00 32.58 30.04 3kl9 s HIS 52 CO 0.00 -1.98 -0.16 0.45 -0.85 0.00 0.00 174.74 172.21 3kl9 s SER 53 N -1.78 3.95 0.39 1.40 0.15 -1.26 -4.75 113.70 111.80 3kl9 s SER 53 Ca 0.75 -0.37 0.21 0.00 0.70 0.00 0.00 55.95 57.24 3kl9 s SER 53 Cb -0.27 -0.70 0.38 0.00 -1.71 0.00 0.00 66.02 63.72 3kl9 s SER 53 CO 0.33 0.26 1.60 -0.33 1.20 0.00 0.00 173.24 176.30 3kl9 h GLU 54 N 4.57 0.00 -7.03 5.44 5.08 -1.94 -3.48 114.58 117.22 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 1.16 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.54 3kl9 h GLU 54 CO 0.49 0.21 0.65 0.00 -1.00 0.00 0.00 179.01 179.35 3kl9 s ALA 55 N -3.20 2.96 0.01 3.43 0.00 -1.26 -4.96 121.76 118.73 3kl9 s ALA 55 Ca 0.05 1.41 -0.04 0.00 0.00 0.00 0.00 51.96 53.38 3kl9 s ALA 55 Cb 0.07 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 3kl9 s ALA 55 CO 0.68 -1.36 1.06 0.28 0.00 0.00 0.00 175.76 176.43 3kl9 h VAL 56 N 1.72 0.00 -2.31 0.00 2.07 -1.94 -3.24 116.25 112.55 3kl9 h VAL 56 Ca -0.51 0.00 -0.64 0.00 0.82 0.00 0.00 66.70 66.37 3kl9 h VAL 56 Cb 1.29 0.00 -0.39 0.00 -1.52 0.00 0.00 31.29 30.68 3kl9 h VAL 56 CO 0.58 0.00 -0.26 -0.67 0.02 0.00 0.00 177.57 177.25 3kl9 n ASP 57 N -2.79 4.88 -4.68 0.57 2.03 -1.26 -5.05 116.55 110.23 3kl9 n ASP 57 Ca -0.01 -3.60 -0.42 0.00 0.52 0.00 0.00 54.79 51.28 3kl9 n ASP 57 Cb 0.04 -0.74 -0.03 0.00 -0.72 0.00 0.00 41.12 39.67 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 -3.26 3.64 0.50 -1.67 0.00 -1.22 -4.66 121.76 115.10 3kl9 s ALA 58 Ca 0.43 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 53.25 3kl9 s ALA 58 Cb 0.21 -3.67 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 3kl9 s ALA 58 CO -0.08 -1.09 1.06 -1.25 0.00 0.00 0.00 175.76 174.41 3kl9 s PRO 59 N 2.77 3.68 0.06 0.00 0.04 -1.26 -4.51 135.00 135.77 3kl9 s PRO 59 Ca 0.70 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 3kl9 s PRO 59 Cb -0.36 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 3kl9 s PRO 59 CO 0.30 -0.55 0.98 1.03 0.04 0.00 0.00 177.00 178.81 3kl9 s ARG 60 N -3.28 4.62 -0.13 4.56 0.52 -1.26 -0.75 118.95 123.23 3kl9 s ARG 60 Ca 0.68 1.45 0.01 0.00 -0.52 0.00 0.00 55.73 57.36 3kl9 s ARG 60 Cb -0.18 -3.41 0.02 0.00 0.52 0.00 0.00 34.95 31.89 3kl9 s ARG 60 CO 0.22 0.06 -0.15 0.08 0.02 0.00 0.00 175.30 175.53 3kl9 s VAL 61 N 0.54 1.57 -0.23 3.52 1.01 -0.80 -0.19 120.40 125.82 3kl9 s VAL 61 Ca 0.50 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 3kl9 s VAL 61 Cb -0.23 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3kl9 s VAL 61 CO 0.29 0.46 0.01 -0.22 0.00 0.00 0.00 175.10 175.64 3kl9 s LEU 62 N 1.15 3.21 -0.28 3.92 2.96 -0.88 -0.06 118.68 128.70 3kl9 s LEU 62 Ca -0.02 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3kl9 s LEU 62 Cb -0.14 -1.84 0.04 0.00 0.50 0.00 0.00 46.19 44.75 3kl9 s LEU 62 CO -0.05 -0.00 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.28 3kl9 s VAL 63 N 1.41 3.13 -0.05 1.68 1.01 0.10 -1.23 120.40 126.45 3kl9 s VAL 63 Ca 0.05 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.90 3kl9 s VAL 63 Cb -0.15 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3kl9 s VAL 63 CO 0.01 0.02 -0.10 0.00 0.00 0.00 0.00 175.10 175.02 3kl9 s ALA 64 N 1.32 1.06 0.00 5.51 0.00 -0.57 -0.97 121.76 128.11 3kl9 s ALA 64 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3kl9 s ALA 64 Cb -0.18 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.47 3kl9 s ALA 64 CO -0.02 0.11 0.00 -1.13 0.00 0.00 0.00 175.76 174.73 3kl9 n SER 65 N 3.65 0.26 -3.86 0.00 3.41 -0.77 -0.44 113.62 115.87 3kl9 n SER 65 Ca -0.22 -0.14 -0.12 0.00 -0.26 0.00 0.00 58.87 58.13 3kl9 n SER 65 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 3kl9 n SER 65 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3kl9 s HIS 66 N 1.71 -0.03 0.08 7.33 -3.43 -1.26 0.13 115.29 119.82 3kl9 s HIS 66 Ca 0.00 0.08 0.07 0.00 -0.80 0.00 0.00 55.06 54.42 3kl9 s HIS 66 Cb 0.00 0.01 -0.22 0.00 -1.43 0.00 0.00 32.58 30.94 3kl9 s HIS 66 CO 0.00 -0.03 1.12 0.52 -2.00 0.00 0.00 174.74 174.34 3kl9 h MET 67 N 5.99 0.02 -6.93 -0.38 2.86 -1.60 -3.41 114.93 111.49 3kl9 h MET 67 Ca -0.25 -0.04 -0.49 0.00 -2.06 0.00 0.00 59.70 56.86 3kl9 h MET 67 Cb 1.21 0.01 0.02 0.00 0.06 0.00 0.00 31.60 32.90 3kl9 h MET 67 CO 0.48 0.90 0.44 0.16 1.06 0.00 0.00 176.91 179.95 3kl9 s ASP 68 N -6.60 6.81 0.34 1.22 -4.77 -1.26 -4.86 116.67 107.55 3kl9 s ASP 68 Ca -0.01 2.13 0.09 0.00 -3.30 0.00 0.00 52.55 51.46 3kl9 s ASP 68 Cb 0.09 -2.60 -0.06 0.00 -1.09 0.00 0.00 42.92 39.27 3kl9 s ASP 68 CO 0.83 -0.46 -0.03 -1.83 0.70 0.00 0.00 175.17 174.38 3kl9 s GLU 69 N -2.27 1.98 0.37 2.11 -1.05 0.37 -4.34 118.70 115.87 3kl9 s GLU 69 Ca 0.55 -1.82 -0.25 0.00 -0.15 0.00 0.00 54.97 53.30 3kl9 s GLU 69 Cb -0.25 -1.84 -0.09 0.00 -0.44 0.00 0.00 34.13 31.50 3kl9 s GLU 69 CO 0.32 0.13 1.05 0.14 0.95 0.00 0.00 175.26 177.85 3kl9 s VAL 70 N -2.55 3.73 0.00 1.83 -7.23 -1.26 -3.62 120.40 111.30 3kl9 s VAL 70 Ca 0.34 1.40 0.00 0.00 -1.81 0.00 0.00 61.98 61.91 3kl9 s VAL 70 Cb 0.01 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.19 3kl9 s VAL 70 CO 0.18 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 3kl9 n GLY 71 N 0.50 2.19 3.47 2.32 0.00 -0.45 -4.49 105.19 108.72 3kl9 n GLY 71 Ca 0.04 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 3kl9 n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl9 s PHE 72 N -1.94 1.81 -0.05 1.61 0.40 0.43 0.36 117.98 120.60 3kl9 s PHE 72 Ca 0.00 -1.17 -0.04 0.00 -0.60 0.00 0.00 56.93 55.12 3kl9 s PHE 72 Cb 0.00 -1.16 0.02 0.00 0.51 0.00 0.00 43.02 42.39 3kl9 s PHE 72 CO 0.00 -0.21 0.13 1.41 0.70 0.00 0.00 175.22 177.26 3kl9 s MET 73 N -3.81 0.14 0.05 0.44 1.75 -0.34 0.23 119.30 117.77 3kl9 s MET 73 Ca 0.30 0.21 -0.31 0.00 -1.25 0.00 0.00 55.69 54.65 3kl9 s MET 73 Cb 0.05 0.04 -0.08 0.00 2.84 0.00 0.00 34.83 37.68 3kl9 s MET 73 CO 0.15 -0.04 1.65 0.08 -0.65 0.00 0.00 175.02 176.21 3kl9 s VAL 74 N 0.24 3.11 -0.15 10.11 1.01 -0.17 -1.22 120.40 133.32 3kl9 s VAL 74 Ca -0.01 0.52 0.19 0.00 0.00 0.00 0.00 61.98 62.67 3kl9 s VAL 74 Cb -0.03 -3.33 -0.27 0.00 0.00 0.00 0.00 36.38 32.75 3kl9 s VAL 74 CO -0.01 -0.01 0.20 -1.54 0.00 0.00 0.00 175.10 173.74 3kl9 n SER 75 N 5.78 0.04 -3.49 3.32 3.41 -0.32 -0.39 113.62 121.96 3kl9 n SER 75 Ca 0.16 0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.69 3kl9 n SER 75 Cb 0.41 1.19 -0.02 0.00 -0.26 0.00 0.00 64.21 65.53 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 1.01 -0.22 4.33 -1.05 -1.17 -4.86 118.70 113.99 3kl9 s GLU 76 Ca -0.09 -0.39 -0.06 0.00 -0.15 0.00 0.00 54.97 54.28 3kl9 s GLU 76 Cb 0.08 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 3kl9 s GLU 76 CO 0.85 -0.45 0.02 0.42 0.95 0.00 0.00 175.26 177.06 3kl9 s ILE 77 N -3.36 4.02 0.55 1.83 1.01 -1.26 -2.27 121.20 121.72 3kl9 s ILE 77 Ca 0.04 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 3kl9 s ILE 77 Cb -0.01 -2.85 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 3kl9 s ILE 77 CO -0.10 0.39 1.06 -0.54 0.00 0.00 0.00 174.94 175.75 3kl9 s LYS 78 N 1.34 3.50 0.57 2.79 -0.14 -0.15 -4.91 119.74 122.73 3kl9 s LYS 78 Ca 0.05 1.29 0.28 0.00 -1.36 0.00 0.00 55.97 56.23 3kl9 s LYS 78 Cb -0.15 -2.05 1.49 0.00 -1.68 0.00 0.00 37.83 35.44 3kl9 s LYS 78 CO 0.02 -0.68 1.97 -1.35 -0.76 0.00 0.00 175.35 174.55 3kl9 h PRO 79 N 0.91 0.00 -0.02 -1.68 0.11 -1.96 0.17 132.00 129.54 3kl9 h PRO 79 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kl9 h PRO 79 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kl9 h PRO 79 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 3kl9 n ASP 80 N -3.98 0.23 0.00 -2.05 5.68 -1.26 -0.48 116.55 114.69 3kl9 n ASP 80 Ca 0.08 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.04 3kl9 n ASP 80 Cb 0.61 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 3kl9 n ASP 80 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kl9 n GLY 81 N 0.90 1.03 3.79 6.12 0.00 0.61 -3.96 105.19 113.68 3kl9 n GLY 81 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 1.86 0.01 2.61 -4.23 -1.26 -4.66 115.64 107.63 3kl9 s THR 82 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 3kl9 s THR 82 Cb 0.00 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 71.04 3kl9 s THR 82 CO 0.00 0.00 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.54 3kl9 s PHE 83 N -3.48 1.64 0.05 3.99 0.08 0.21 -0.98 117.98 119.49 3kl9 s PHE 83 Ca 0.71 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.43 3kl9 s PHE 83 Cb -0.08 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 3kl9 s PHE 83 CO 0.54 0.02 0.16 1.03 -0.10 0.00 0.00 175.22 176.87 3kl9 s ARG 84 N -0.75 3.27 0.22 0.44 1.81 -0.96 -1.15 118.95 121.83 3kl9 s ARG 84 Ca 0.07 -0.50 0.06 0.00 -1.72 0.00 0.00 55.73 53.64 3kl9 s ARG 84 Cb -0.08 -2.95 -0.05 0.00 -0.45 0.00 0.00 34.95 31.42 3kl9 s ARG 84 CO 0.00 0.61 -0.08 0.14 -0.68 0.00 0.00 175.30 175.29 3kl9 s VAL 85 N -1.44 1.44 0.00 3.52 -7.23 -1.26 -1.17 120.40 114.26 3kl9 s VAL 85 Ca 0.32 -2.12 0.05 0.00 -1.81 0.00 0.00 61.98 58.42 3kl9 s VAL 85 Cb -0.13 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 3kl9 s VAL 85 CO 0.24 -0.47 -0.14 0.54 -0.31 0.00 0.00 175.10 174.96 3kl9 s VAL 86 N -3.15 3.09 0.38 1.32 0.11 -0.36 -4.24 120.40 117.55 3kl9 s VAL 86 Ca 0.25 -0.93 -0.24 0.00 -2.93 0.00 0.00 61.98 58.13 3kl9 s VAL 86 Cb 0.03 -2.28 -0.10 0.00 -1.53 0.00 0.00 36.38 32.50 3kl9 s VAL 86 CO 0.08 0.44 0.98 -1.83 -3.33 0.00 0.00 175.10 171.44 3kl9 s GLU 87 N -1.19 4.34 -0.34 1.54 -1.05 -1.26 -1.20 118.70 119.54 3kl9 s GLU 87 Ca 0.14 1.34 0.03 0.00 -0.15 0.00 0.00 54.97 56.33 3kl9 s GLU 87 Cb -0.11 -2.55 0.09 0.00 -0.44 0.00 0.00 34.13 31.13 3kl9 s GLU 87 CO 0.04 0.04 0.05 0.42 0.95 0.00 0.00 175.26 176.76 3kl9 s ILE 88 N -1.77 2.41 0.00 1.83 1.01 0.16 -4.87 121.20 119.97 3kl9 s ILE 88 Ca 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 60.65 59.02 3kl9 s ILE 88 Cb -0.17 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.59 3kl9 s ILE 88 CO 0.22 -0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.25 3kl9 n GLY 89 N 4.33 0.17 3.62 6.18 0.00 -1.25 -1.34 105.19 116.89 3kl9 n GLY 89 Ca 0.00 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.80 1.73 -0.14 -0.02 0.00 -1.26 -4.89 107.32 100.94 3kl9 s GLY 90 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 44.72 44.27 3kl9 s GLY 90 CO 0.00 1.68 -0.05 -0.98 0.00 0.00 0.00 173.10 173.75 3kl9 s TRP 91 N 2.84 3.01 0.11 1.90 0.52 -1.26 -4.92 118.94 121.14 3kl9 s TRP 91 Ca 0.31 -0.26 -0.31 0.00 0.02 0.00 0.00 56.10 55.86 3kl9 s TRP 91 Cb -0.14 -1.91 -0.09 0.00 -1.15 0.00 0.00 33.47 30.17 3kl9 s TRP 91 CO 0.11 0.02 1.67 1.21 0.02 0.00 0.00 176.95 179.98 3kl9 s ASN 92 N 0.17 6.55 0.00 2.95 3.84 -1.26 -4.88 114.94 122.31 3kl9 s ASN 92 Ca -0.02 2.60 0.10 0.00 0.21 0.00 0.00 52.86 55.75 3kl9 s ASN 92 Cb -0.14 -2.57 0.48 0.00 -0.55 0.00 0.00 41.25 38.47 3kl9 s ASN 92 CO 0.03 -0.90 1.30 -2.65 -2.79 0.00 0.00 177.10 172.09 3kl9 n PRO 93 N 5.07 0.05 0.21 0.43 -0.02 -1.26 -2.33 135.00 137.15 3kl9 n PRO 93 Ca 0.16 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 3kl9 n PRO 93 Cb 0.39 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.00 -0.52 2.86 -1.92 -3.32 114.93 112.03 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 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3kl9 h MET 94 CO 0.00 0.00 -1.35 1.33 1.06 0.00 0.00 176.91 177.95 3kl9 n VAL 95 N -2.93 0.09 0.11 -2.22 0.24 -0.98 -4.55 118.33 108.08 3kl9 n VAL 95 Ca 0.04 -0.28 -0.04 0.00 -2.04 0.00 0.00 64.34 62.02 3kl9 n VAL 95 Cb 0.47 0.31 0.09 0.00 -1.47 0.00 0.00 33.84 33.25 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 0.00 1.50 -3.74 3.34 2.07 -1.68 -3.46 116.25 114.27 3kl9 h VAL 96 Ca 0.00 -2.41 -0.51 0.00 0.82 0.00 0.00 66.70 64.60 3kl9 h VAL 96 Cb 0.78 2.30 0.02 0.00 -1.52 0.00 0.00 31.29 32.86 3kl9 h VAL 96 CO 0.00 0.69 0.51 -0.44 0.02 0.00 0.00 177.57 178.35 3kl9 s SER 97 N -6.84 7.19 -1.07 0.57 0.01 -1.26 -4.04 113.70 108.26 3kl9 s SER 97 Ca -0.01 2.29 -0.05 0.00 1.31 0.00 0.00 55.95 59.49 3kl9 s SER 97 Cb 0.12 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 3kl9 s SER 97 CO 0.78 -0.23 0.93 -1.20 0.41 0.00 0.00 173.24 173.94 3kl9 n SER 98 N 1.48 -5.66 -4.29 2.44 7.64 -1.09 -5.01 113.62 109.13 3kl9 n SER 98 Ca 0.00 -0.69 -0.21 0.00 1.01 0.00 0.00 58.87 58.98 3kl9 n SER 98 Cb 0.45 -5.16 -0.11 0.00 -1.01 0.00 0.00 64.21 58.37 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 -4.58 1.17 0.13 1.43 -1.52 -1.25 -4.95 119.66 110.09 3kl9 s GLN 99 Ca 0.36 -1.30 -0.12 0.00 -1.95 0.00 0.00 55.36 52.35 3kl9 s GLN 99 Cb -0.05 -1.23 -0.07 0.00 -0.22 0.00 0.00 33.01 31.45 3kl9 s GLN 99 CO 0.73 0.26 0.50 1.03 -0.25 0.00 0.00 175.29 177.56 3kl9 s ARG 100 N -2.53 3.89 0.17 2.91 0.52 -1.26 -2.06 118.95 120.59 3kl9 s ARG 100 Ca 0.11 0.37 -0.03 0.00 -0.52 0.00 0.00 55.73 55.67 3kl9 s ARG 100 Cb -0.07 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 3kl9 s ARG 100 CO 0.05 0.49 0.13 -0.06 0.02 0.00 0.00 175.30 175.93 3kl9 s PHE 101 N -1.48 0.89 -0.22 -0.53 0.08 0.26 -0.94 117.98 116.04 3kl9 s PHE 101 Ca 0.37 -1.21 -0.00 0.00 0.12 0.00 0.00 56.93 56.21 3kl9 s PHE 101 Cb -0.14 -0.42 0.02 0.00 -0.57 0.00 0.00 43.02 41.91 3kl9 s PHE 101 CO 0.19 -0.61 -0.11 0.15 -0.10 0.00 0.00 175.22 174.74 3kl9 s LYS 102 N -4.08 2.88 0.05 0.44 1.02 0.11 -1.98 119.74 118.18 3kl9 s LYS 102 Ca 0.29 -0.93 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 3kl9 s LYS 102 Cb 0.06 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 3kl9 s LYS 102 CO 0.06 -0.34 1.03 -1.17 -0.92 0.00 0.00 175.35 174.01 3kl9 s LEU 103 N 1.30 4.41 -0.36 3.17 0.20 0.48 -1.28 118.68 126.61 3kl9 s LEU 103 Ca 0.01 1.79 -0.08 0.00 0.69 0.00 0.00 54.13 56.55 3kl9 s LEU 103 Cb -0.16 -3.58 0.04 0.00 -0.43 0.00 0.00 46.19 42.07 3kl9 s LEU 103 CO -0.07 -0.26 0.15 -0.76 -0.29 0.00 0.00 176.35 175.12 3kl9 s LEU 104 N 0.70 4.51 0.55 -0.68 1.02 0.18 -1.46 118.68 123.50 3kl9 s LEU 104 Ca 0.52 -1.15 -0.17 0.00 0.02 0.00 0.00 54.13 53.36 3kl9 s LEU 104 Cb -0.24 -1.92 -0.06 0.00 0.02 0.00 0.00 46.19 43.99 3kl9 s LEU 104 CO 0.29 -0.36 1.02 -0.89 0.02 0.00 0.00 176.35 176.43 3kl9 s THR 105 N 1.44 4.12 0.28 5.49 2.01 -0.56 -3.77 115.64 124.65 3kl9 s THR 105 Ca -0.00 1.05 -0.02 0.00 0.31 0.00 0.00 61.69 63.02 3kl9 s THR 105 Cb -0.20 -3.53 0.27 0.00 0.01 0.00 0.00 72.50 69.05 3kl9 s THR 105 CO 0.04 -0.55 1.92 -0.09 -0.69 0.00 0.00 174.62 175.25 3kl9 h ARG 106 N 0.79 1.13 0.00 4.92 2.43 -1.89 -2.49 114.38 119.26 3kl9 h ARG 106 Ca -0.47 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3kl9 h ARG 106 Cb 1.20 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3kl9 h ARG 106 CO 0.59 0.75 0.00 -0.40 -1.51 0.00 0.00 179.97 179.40 3kl9 n ASP 107 N -4.45 0.00 0.00 -3.80 5.68 -1.26 -4.88 116.55 107.84 3kl9 n ASP 107 Ca 0.13 -0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 3kl9 n ASP 107 Cb 0.12 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 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 0.43 0.65 3.76 6.12 0.00 -0.94 -5.08 105.19 110.14 3kl9 n GLY 108 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3kl9 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kl9 s HIS 109 N -2.05 3.33 -0.52 1.61 3.76 -1.26 -4.87 115.29 115.29 3kl9 s HIS 109 Ca 0.00 1.58 -0.04 0.00 -0.15 0.00 0.00 55.06 56.45 3kl9 s HIS 109 Cb 0.00 -3.44 0.14 0.00 1.11 0.00 0.00 32.58 30.39 3kl9 s HIS 109 CO 0.00 -1.10 0.34 -1.21 -0.85 0.00 0.00 174.74 171.92 3kl9 s GLU 110 N -1.67 2.34 -0.19 1.40 2.02 -1.26 -1.49 118.70 119.86 3kl9 s GLU 110 Ca 0.47 -2.13 -0.10 0.00 0.02 0.00 0.00 54.97 53.24 3kl9 s GLU 110 Cb -0.35 -3.72 -0.05 0.00 0.10 0.00 0.00 34.13 30.12 3kl9 s GLU 110 CO 0.45 -1.14 0.15 0.96 0.02 0.00 0.00 175.26 175.70 3kl9 s ILE 111 N 0.64 5.41 0.13 -1.63 -5.25 -0.53 -4.91 121.20 115.06 3kl9 s ILE 111 Ca 0.12 0.23 -0.30 0.00 -0.99 0.00 0.00 60.65 59.71 3kl9 s ILE 111 Cb -0.22 -3.48 -0.07 0.00 2.95 0.00 0.00 42.46 41.64 3kl9 s ILE 111 CO -0.04 0.45 1.21 -2.84 -1.79 0.00 0.00 174.94 171.93 3kl9 s PRO 112 N 0.22 4.46 -0.01 0.37 0.02 -1.26 -0.39 135.00 138.41 3kl9 s PRO 112 Ca 0.10 1.84 0.01 0.00 0.02 0.00 0.00 61.00 62.97 3kl9 s PRO 112 Cb -0.11 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3kl9 s PRO 112 CO -0.01 -0.17 -0.05 0.08 -0.33 0.00 0.00 177.00 176.53 3kl9 s VAL 113 N 0.48 0.40 0.10 3.83 1.01 -0.84 -4.62 120.40 120.75 3kl9 s VAL 113 Ca 0.56 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.46 3kl9 s VAL 113 Cb -0.31 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 3kl9 s VAL 113 CO 0.33 0.13 -0.27 0.27 0.00 0.00 0.00 175.10 175.56 3kl9 s ILE 114 N 0.11 2.22 0.25 2.22 -4.36 -0.13 -0.57 121.20 120.94 3kl9 s ILE 114 Ca -0.01 -1.61 -0.27 0.00 -0.26 0.00 0.00 60.65 58.50 3kl9 s ILE 114 Cb -0.05 -1.94 -0.09 0.00 1.25 0.00 0.00 42.46 41.64 3kl9 s ILE 114 CO -0.00 0.20 0.90 -0.94 0.24 0.00 0.00 174.94 175.33 3kl9 s SER 115 N -1.74 7.47 -0.11 4.36 1.04 -0.87 0.14 113.70 123.99 3kl9 s SER 115 Ca 0.13 1.82 -0.05 0.00 0.48 0.00 0.00 55.95 58.34 3kl9 s SER 115 Cb -0.10 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.44 3kl9 s SER 115 CO 0.05 0.09 -0.09 1.23 0.98 0.00 0.00 173.24 175.50 3kl9 h GLY 116 N 3.85 0.00 -5.47 7.32 0.00 -0.78 -2.88 103.07 105.11 3kl9 h GLY 116 Ca -0.46 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 3kl9 h GLY 116 CO 0.67 0.00 -0.39 2.56 0.00 0.00 0.00 176.54 179.38 3kl9 s PRO 132 N -1.81 0.76 -0.18 4.80 0.04 -1.26 -4.20 135.00 133.14 3kl9 s PRO 132 Ca -0.07 -0.49 -0.14 0.00 0.04 0.00 0.00 61.00 60.33 3kl9 s PRO 132 Cb 0.01 0.03 -0.04 0.00 0.04 0.00 0.00 34.50 34.54 3kl9 s PRO 132 CO 0.11 -1.02 0.31 0.00 0.04 0.00 0.00 177.00 176.45 3kl9 s ALA 133 N 1.46 3.58 0.26 8.56 0.00 -1.26 -4.86 121.76 129.51 3kl9 s ALA 133 Ca 0.21 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 3kl9 s ALA 133 Cb -0.00 -2.47 0.56 0.00 0.00 0.00 0.00 23.12 21.21 3kl9 s ALA 133 CO -0.08 -0.07 1.74 0.82 0.00 0.00 0.00 175.76 178.17 3kl9 h ILE 134 N 4.84 0.65 0.00 0.00 2.04 -1.95 0.91 117.51 123.99 3kl9 h ILE 134 Ca -0.39 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3kl9 h ILE 134 Cb 1.16 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3kl9 h ILE 134 CO 0.73 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.98 3kl9 n ALA 135 N -2.47 1.22 0.91 1.87 0.00 -1.26 -1.39 120.51 119.39 3kl9 n ALA 135 Ca 0.17 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.80 3kl9 n ALA 135 Cb 0.48 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 3kl9 n ALA 135 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kl9 n ASP 136 N -1.93 1.21 -4.72 0.00 8.00 0.31 -4.62 116.55 114.80 3kl9 n ASP 136 Ca 0.00 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 53.98 3kl9 n ASP 136 Cb 0.08 0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 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 -2.66 3.53 -0.12 0.53 1.01 -0.48 -4.98 121.20 118.02 3kl9 s ILE 137 Ca 0.10 1.10 -0.29 0.00 0.00 0.00 0.00 60.65 61.56 3kl9 s ILE 137 Cb 0.15 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 3kl9 s ILE 137 CO 0.71 0.09 0.99 -0.69 0.00 0.00 0.00 174.94 176.04 3kl9 s VAL 138 N 1.03 4.79 -0.24 2.92 1.01 -1.26 -4.59 120.40 124.06 3kl9 s VAL 138 Ca 0.62 2.00 -0.07 0.00 0.00 0.00 0.00 61.98 64.53 3kl9 s VAL 138 Cb -0.34 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 3kl9 s VAL 138 CO 0.30 -0.00 0.05 -0.36 0.00 0.00 0.00 175.10 175.09 3kl9 s PHE 139 N 2.09 3.07 -0.16 5.22 0.40 -0.30 -0.02 117.98 128.28 3kl9 s PHE 139 Ca 0.47 -0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 56.30 3kl9 s PHE 139 Cb -0.18 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.12 3kl9 s PHE 139 CO 0.17 -0.36 -0.07 0.34 0.70 0.00 0.00 175.22 176.00 3kl9 s ASP 140 N 1.54 4.44 0.00 1.36 3.68 0.12 0.66 116.67 128.47 3kl9 s ASP 140 Ca 0.06 -0.25 0.18 0.00 2.13 0.00 0.00 52.55 54.66 3kl9 s ASP 140 Cb -0.15 -1.72 0.04 0.00 -1.45 0.00 0.00 42.92 39.64 3kl9 s ASP 140 CO 0.03 0.12 0.95 0.61 0.13 0.00 0.00 175.17 177.01 3kl9 n GLY 141 N 3.85 0.10 2.03 2.66 0.00 -1.26 -0.95 105.19 111.61 3kl9 n GLY 141 Ca -0.18 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 1.15 0.45 3.90 -0.02 0.00 -1.26 -4.91 105.19 104.50 3kl9 n GLY 142 Ca 0.08 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.03 3.51 -0.02 1.61 0.40 -1.26 -5.03 117.98 115.16 3kl9 s PHE 143 Ca 0.00 0.94 -0.19 0.00 -0.60 0.00 0.00 56.93 57.09 3kl9 s PHE 143 Cb 0.00 -2.57 -0.33 0.00 0.51 0.00 0.00 43.02 40.64 3kl9 s PHE 143 CO 0.00 -0.57 0.90 0.00 0.70 0.00 0.00 175.22 176.25 3kl9 h ALA 144 N -0.08 -0.09 -2.85 5.36 0.00 -1.93 -3.45 119.26 116.23 3kl9 h ALA 144 Ca -0.46 -0.80 -0.05 0.00 0.00 0.00 0.00 54.91 53.60 3kl9 h ALA 144 Cb 1.21 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3kl9 h ALA 144 CO 0.62 0.55 0.14 -0.40 0.00 0.00 0.00 179.25 180.16 3kl9 n ASP 145 N -3.94 -1.50 -0.30 0.00 3.85 -1.25 -4.60 116.55 108.81 3kl9 n ASP 145 Ca -0.16 -2.15 0.04 0.00 -0.71 0.00 0.00 54.79 51.81 3kl9 n ASP 145 Cb 0.95 2.52 0.18 0.00 -1.35 0.00 0.00 41.12 43.42 3kl9 n ASP 145 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 3kl9 h LYS 146 N 0.00 0.77 -0.46 0.11 3.64 -0.85 -2.65 116.57 117.12 3kl9 h LYS 146 Ca -0.23 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.07 3kl9 h LYS 146 Cb 0.86 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3kl9 h LYS 146 CO 0.29 0.51 0.16 0.00 -2.27 0.00 0.00 179.45 178.14 3kl9 h ALA 147 N 1.48 0.60 -0.56 5.00 0.00 -1.91 -1.44 119.26 122.44 3kl9 h ALA 147 Ca 0.42 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3kl9 h ALA 147 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kl9 h ALA 147 CO -0.26 0.24 0.11 1.49 0.00 0.00 0.00 179.25 180.83 3kl9 h GLU 148 N 0.61 0.91 -0.45 0.00 4.81 -1.89 -0.29 114.58 118.27 3kl9 h GLU 148 Ca 0.15 -0.24 0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3kl9 h GLU 148 Cb 0.25 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 3kl9 h GLU 148 CO -0.01 0.87 0.08 0.00 -0.73 0.00 0.00 179.01 179.22 3kl9 h ALA 149 N 1.00 0.49 0.00 2.92 0.00 -1.28 -1.65 119.26 120.75 3kl9 h ALA 149 Ca 0.17 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3kl9 h ALA 149 Cb 0.39 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kl9 h ALA 149 CO 0.01 -0.32 -0.29 0.93 0.00 0.00 0.00 179.25 179.58 3kl9 h GLU 150 N 0.21 0.00 0.00 0.00 5.08 -0.73 -2.55 114.58 116.59 3kl9 h GLU 150 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3kl9 h GLU 150 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kl9 h GLU 150 CO -0.30 0.29 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 3kl9 h SER 151 N 0.00 0.00 -0.56 1.42 4.64 -0.08 -0.84 113.55 118.13 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 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3kl9 h SER 151 CO 0.04 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.49 3kl9 n PHE 152 N -2.61 1.26 -0.87 4.77 3.01 -0.96 -4.93 117.46 117.13 3kl9 n PHE 152 Ca 0.01 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 57.96 3kl9 n PHE 152 Cb 0.24 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 3kl9 n PHE 152 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kl9 n GLY 153 N 1.05 0.74 3.73 1.37 0.00 -0.32 -4.92 105.19 106.85 3kl9 n GLY 153 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3kl9 n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl9 s ILE 154 N -2.84 3.14 0.08 -0.61 1.01 -1.22 -4.49 121.20 116.26 3kl9 s ILE 154 Ca 0.00 0.89 0.02 0.00 0.00 0.00 0.00 60.65 61.56 3kl9 s ILE 154 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3kl9 s ILE 154 CO 0.00 0.11 -0.07 -0.13 0.00 0.00 0.00 174.94 174.85 3kl9 s ARG 155 N 0.29 0.75 0.33 2.79 1.81 -1.26 -4.44 118.95 119.22 3kl9 s ARG 155 Ca 0.60 -1.17 -0.29 0.00 -1.72 0.00 0.00 55.73 53.15 3kl9 s ARG 155 Cb -0.38 -0.25 -0.11 0.00 -0.45 0.00 0.00 34.95 33.77 3kl9 s ARG 155 CO 0.36 0.01 1.56 -2.14 -0.68 0.00 0.00 175.30 174.41 3kl9 s PRO 156 N -3.18 4.10 0.00 3.54 0.02 -1.26 -1.97 135.00 136.24 3kl9 s PRO 156 Ca 0.06 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3kl9 s PRO 156 Cb 0.01 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3kl9 s PRO 156 CO -0.03 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 3kl9 n GLY 157 N 1.43 1.63 3.75 0.52 0.00 0.47 -4.98 105.19 108.01 3kl9 n GLY 157 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3kl9 n GLY 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kl9 s ASP 158 N -1.74 6.60 0.32 1.61 1.01 -0.83 -4.60 116.67 119.04 3kl9 s ASP 158 Ca 0.00 2.74 -0.27 0.00 0.71 0.00 0.00 52.55 55.73 3kl9 s ASP 158 Cb 0.00 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.21 3kl9 s ASP 158 CO 0.00 -0.73 1.04 0.28 0.21 0.00 0.00 175.17 175.97 3kl9 s THR 159 N -0.18 3.74 -0.26 -1.27 -1.32 -1.25 -1.00 115.64 114.10 3kl9 s THR 159 Ca 0.59 1.56 0.01 0.00 -1.21 0.00 0.00 61.69 62.64 3kl9 s THR 159 Cb -0.43 -3.92 0.07 0.00 -1.51 0.00 0.00 72.50 66.71 3kl9 s THR 159 CO 0.46 0.23 -0.03 -0.63 -2.21 0.00 0.00 174.62 172.44 3kl9 s ILE 160 N -1.39 1.65 -0.14 5.08 1.01 0.14 -0.65 121.20 126.90 3kl9 s ILE 160 Ca 0.49 -1.43 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 3kl9 s ILE 160 Cb -0.26 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 3kl9 s ILE 160 CO 0.33 -0.20 0.01 -0.69 0.00 0.00 0.00 174.94 174.39 3kl9 s VAL 161 N 1.31 4.38 0.19 2.92 1.01 -0.40 -0.43 120.40 129.38 3kl9 s VAL 161 Ca -0.03 -0.19 -0.33 0.00 0.00 0.00 0.00 61.98 61.43 3kl9 s VAL 161 Cb -0.19 -2.92 -0.14 0.00 0.00 0.00 0.00 36.38 33.13 3kl9 s VAL 161 CO -0.08 0.52 1.47 -2.65 0.00 0.00 0.00 175.10 174.35 3kl9 n PRO 162 N 3.10 1.97 -3.58 2.72 -0.02 -1.26 0.07 135.00 138.00 3kl9 n PRO 162 Ca -0.17 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 3kl9 n PRO 162 Cb 0.53 -2.40 -0.11 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.57 5.78 -0.30 2.55 2.15 -0.12 -4.75 116.67 122.55 3kl9 s ASP 163 Ca 0.75 -0.87 -0.12 0.00 0.43 0.00 0.00 52.55 52.74 3kl9 s ASP 163 Cb -0.70 -2.05 0.15 0.00 -0.30 0.00 0.00 42.92 40.02 3kl9 s ASP 163 CO 0.44 -0.35 0.80 -0.55 -0.17 0.00 0.00 175.17 175.34 3kl9 s SER 164 N 1.59 -0.90 0.79 -0.34 0.15 -1.26 -4.61 113.70 109.12 3kl9 s SER 164 Ca 0.03 1.21 -0.12 0.00 0.70 0.00 0.00 55.95 57.77 3kl9 s SER 164 Cb -0.19 2.02 0.07 0.00 -1.71 0.00 0.00 66.02 66.21 3kl9 s SER 164 CO 0.07 -0.17 1.15 -0.94 1.20 0.00 0.00 173.24 174.55 3kl9 s SER 165 N 2.71 4.66 -0.14 5.45 1.04 -1.26 -4.28 113.70 121.89 3kl9 s SER 165 Ca -0.04 0.93 -0.07 0.00 0.48 0.00 0.00 55.95 57.26 3kl9 s SER 165 Cb -0.10 -1.53 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 3kl9 s SER 165 CO -0.18 -1.82 0.11 0.00 0.98 0.00 0.00 173.24 172.33 3kl9 s ALA 166 N -3.46 3.70 -0.01 5.32 0.00 -1.26 -4.42 121.76 121.63 3kl9 s ALA 166 Ca 0.61 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 3kl9 s ALA 166 Cb -0.12 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.07 3kl9 s ALA 166 CO 0.51 0.47 0.05 0.96 0.00 0.00 0.00 175.76 177.75 3kl9 s ILE 167 N -0.57 0.04 0.33 0.00 -4.36 0.01 -4.99 121.20 111.67 3kl9 s ILE 167 Ca 0.12 -0.34 -0.29 0.00 -0.26 0.00 0.00 60.65 59.88 3kl9 s ILE 167 Cb -0.12 -0.19 -0.11 0.00 1.25 0.00 0.00 42.46 43.29 3kl9 s ILE 167 CO 0.02 -0.18 1.43 -0.76 0.24 0.00 0.00 174.94 175.69 3kl9 s LEU 168 N -0.56 4.37 0.83 0.37 1.02 -1.26 -0.45 118.68 123.00 3kl9 s LEU 168 Ca -0.06 2.85 -0.12 0.00 0.02 0.00 0.00 54.13 56.82 3kl9 s LEU 168 Cb -0.04 -3.65 0.09 0.00 0.02 0.00 0.00 46.19 42.61 3kl9 s LEU 168 CO 0.00 -0.74 1.15 0.42 0.02 0.00 0.00 176.35 177.20 3kl9 s THR 169 N -0.78 2.30 0.27 5.49 -4.23 -0.20 -4.86 115.64 113.62 3kl9 s THR 169 Ca 0.54 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 61.12 3kl9 s THR 169 Cb -0.44 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 70.69 3kl9 s THR 169 CO 0.54 -0.13 1.90 0.00 -0.54 0.00 0.00 174.62 176.39 3kl9 h ALA 170 N -1.16 1.38 -0.00 3.99 0.00 -1.97 -0.20 119.26 121.30 3kl9 h ALA 170 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kl9 h ALA 170 Cb 1.31 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3kl9 h ALA 170 CO 0.64 0.49 -0.01 0.27 0.00 0.00 0.00 179.25 180.64 3kl9 n ASN 171 N -4.47 0.02 -0.52 0.00 0.23 -1.26 -4.90 115.26 104.37 3kl9 n ASN 171 Ca 0.14 -0.06 -0.07 0.00 -0.53 0.00 0.00 54.58 54.07 3kl9 n ASN 171 Cb 0.14 -0.31 -0.03 0.00 -2.08 0.00 0.00 39.78 37.51 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 -1.31 -0.86 -0.00 -3.83 1.02 -0.09 -4.85 120.64 110.72 3kl9 n GLU 172 Ca 0.13 0.65 0.11 0.00 -0.02 0.00 0.00 57.16 58.03 3kl9 n GLU 172 Cb 0.26 -4.54 -0.14 0.00 -0.02 0.00 0.00 31.44 27.00 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 -2.02 0.52 -4.41 3.49 4.76 -1.26 -4.94 118.16 114.30 3kl9 n LYS 173 Ca -0.07 -0.14 -0.21 0.00 -2.87 0.00 0.00 58.31 55.03 3kl9 n LYS 173 Cb 0.32 -1.53 -0.10 0.00 -1.84 0.00 0.00 35.03 31.88 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 -4.24 2.83 0.11 4.39 0.01 -1.26 -2.29 114.94 114.50 3kl9 s ASN 174 Ca -0.04 -1.11 0.09 0.00 -0.71 0.00 0.00 52.86 51.09 3kl9 s ASN 174 Cb 0.14 -0.18 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 3kl9 s ASN 174 CO 0.89 -0.23 -0.23 -0.63 -1.51 0.00 0.00 177.10 175.40 3kl9 s ILE 175 N -2.92 1.90 -0.14 0.60 1.01 -0.22 -1.03 121.20 120.40 3kl9 s ILE 175 Ca 0.27 -1.63 0.01 0.00 0.00 0.00 0.00 60.65 59.30 3kl9 s ILE 175 Cb 0.01 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 3kl9 s ILE 175 CO 0.11 -0.02 -0.18 -0.63 0.00 0.00 0.00 174.94 174.21 3kl9 s ILE 176 N -1.16 2.47 0.36 2.92 1.01 0.40 -1.99 121.20 125.22 3kl9 s ILE 176 Ca 0.09 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 3kl9 s ILE 176 Cb -0.10 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.40 3kl9 s ILE 176 CO 0.05 0.53 0.76 -0.94 0.00 0.00 0.00 174.94 175.34 3kl9 s SER 177 N 0.64 -0.02 0.54 3.58 1.04 -0.34 -0.81 113.70 118.33 3kl9 s SER 177 Ca -0.09 -1.05 -0.00 0.00 0.48 0.00 0.00 55.95 55.29 3kl9 s SER 177 Cb -0.16 0.82 0.02 0.00 0.10 0.00 0.00 66.02 66.80 3kl9 s SER 177 CO 0.02 -1.60 0.78 -1.59 0.98 0.00 0.00 173.24 171.83 3kl9 s LYS 178 N -2.69 2.70 -1.44 4.02 -2.85 -1.24 -0.02 119.74 118.21 3kl9 s LYS 178 Ca 0.15 -0.58 -0.01 0.00 -1.00 0.00 0.00 55.97 54.54 3kl9 s LYS 178 Cb -0.05 -2.46 0.00 0.00 -2.06 0.00 0.00 37.83 33.26 3kl9 s LYS 178 CO 0.11 -0.63 0.05 0.00 0.10 0.00 0.00 175.35 174.99 3kl9 n ALA 179 N -2.34 -0.73 -0.04 0.59 0.00 -1.26 -4.79 120.51 111.94 3kl9 n ALA 179 Ca 0.06 0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.59 3kl9 n ALA 179 Cb 0.59 -2.02 0.15 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.12 0.70 -2.90 0.00 -0.00 -1.93 -0.85 115.95 110.87 3kl9 h TRP 180 Ca -0.41 -0.15 -0.60 0.00 -0.00 0.00 0.00 58.89 57.73 3kl9 h TRP 180 Cb 1.30 -0.17 -0.12 0.00 -0.00 0.00 0.00 29.16 30.17 3kl9 h TRP 180 CO 0.62 0.80 0.69 0.34 -0.00 0.00 0.00 178.44 180.89 3kl9 s ASP 181 N -6.78 6.27 -0.34 2.65 2.15 -1.26 -1.38 116.67 117.98 3kl9 s ASP 181 Ca -0.08 -0.50 0.15 0.00 0.43 0.00 0.00 52.55 52.55 3kl9 s ASP 181 Cb 0.13 -2.47 0.45 0.00 -0.30 0.00 0.00 42.92 40.74 3kl9 s ASP 181 CO 0.81 -1.42 1.00 -3.20 -0.17 0.00 0.00 175.17 172.18 3kl9 n ASN 182 N 7.98 2.17 0.17 -0.34 4.05 -1.18 -4.70 115.26 123.40 3kl9 n ASN 182 Ca 0.01 -2.89 0.13 0.00 0.45 0.00 0.00 54.58 52.28 3kl9 n ASN 182 Cb 0.47 -0.51 0.33 0.00 1.23 0.00 0.00 39.78 41.30 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 2.88 0.00 -0.48 1.20 2.47 -0.34 -2.26 114.38 117.84 3kl9 h ARG 183 Ca -0.01 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.79 3kl9 h ARG 183 Cb 1.14 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.36 3kl9 h ARG 183 CO 0.56 0.00 -0.34 -0.92 0.56 0.00 0.00 179.97 179.82 3kl9 h TYR 184 N 0.00 -0.96 -0.16 3.04 5.03 -1.43 0.19 116.97 122.69 3kl9 h TYR 184 Ca 0.00 0.07 -0.11 0.00 2.58 0.00 0.00 58.73 61.27 3kl9 h TYR 184 Cb 0.82 0.49 -0.01 0.00 1.55 0.00 0.00 36.73 39.57 3kl9 h TYR 184 CO 0.00 -0.39 -0.37 0.78 -1.32 0.00 0.00 178.16 176.87 3kl9 h GLY 185 N -0.22 0.37 0.90 1.82 0.00 -1.64 0.16 103.07 104.46 3kl9 h GLY 185 Ca 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3kl9 h GLY 185 CO -0.60 0.30 -0.10 -2.08 0.00 0.00 0.00 176.54 174.06 3kl9 h VAL 186 N 0.29 0.83 -0.76 4.60 2.07 -1.13 -2.02 116.25 120.13 3kl9 h VAL 186 Ca 0.03 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3kl9 h VAL 186 Cb 0.78 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3kl9 h VAL 186 CO 0.06 0.05 0.26 0.25 0.02 0.00 0.00 177.57 178.21 3kl9 h LEU 187 N -0.38 1.09 -0.40 2.57 6.46 -0.40 -1.96 115.31 122.29 3kl9 h LEU 187 Ca -0.03 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.57 3kl9 h LEU 187 Cb 0.29 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 3kl9 h LEU 187 CO 0.05 0.99 0.20 -0.03 -0.62 0.00 0.00 178.44 179.03 3kl9 h MET 188 N 1.13 0.39 -0.27 1.25 4.05 -0.62 0.11 114.93 120.97 3kl9 h MET 188 Ca 0.25 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.61 3kl9 h MET 188 Cb 0.28 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 3kl9 h MET 188 CO -0.01 0.26 0.05 0.28 0.23 0.00 0.00 176.91 177.72 3kl9 h VAL 189 N 0.41 1.23 -0.14 -5.77 2.07 -1.25 -0.73 116.25 112.07 3kl9 h VAL 189 Ca 0.17 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3kl9 h VAL 189 Cb 0.08 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3kl9 h VAL 189 CO -0.12 0.25 -0.16 -1.28 0.02 0.00 0.00 177.57 176.28 3kl9 h SER 190 N 0.26 -0.50 -0.25 0.57 0.87 -1.01 -0.71 113.55 112.79 3kl9 h SER 190 Ca 0.08 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3kl9 h SER 190 Cb 0.32 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 3kl9 h SER 190 CO 0.00 -0.20 0.01 -0.33 -0.53 0.00 0.00 176.83 175.78 3kl9 h GLU 191 N -0.19 0.54 -0.55 2.24 4.39 -0.69 -2.59 114.58 117.73 3kl9 h GLU 191 Ca 0.10 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3kl9 h GLU 191 Cb 0.34 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3kl9 h GLU 191 CO -0.26 0.56 0.08 1.25 -1.16 0.00 0.00 179.01 179.48 3kl9 h LEU 192 N 0.52 0.88 -0.26 1.33 6.46 -0.64 -1.46 115.31 122.14 3kl9 h LEU 192 Ca 0.11 -0.27 0.01 0.00 -0.12 0.00 0.00 57.88 57.61 3kl9 h LEU 192 Cb 0.32 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 3kl9 h LEU 192 CO 0.01 0.92 0.16 0.00 -0.62 0.00 0.00 178.44 178.91 3kl9 h ALA 193 N 0.99 0.33 0.17 1.25 0.00 -0.78 -1.25 119.26 119.97 3kl9 h ALA 193 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kl9 h ALA 193 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kl9 h ALA 193 CO 0.01 -0.22 -0.14 1.49 0.00 0.00 0.00 179.25 180.39 3kl9 h GLU 194 N 0.33 -0.32 -0.95 0.00 4.81 -1.40 -2.09 114.58 114.96 3kl9 h GLU 194 Ca 0.10 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3kl9 h GLU 194 Cb -0.02 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3kl9 h GLU 194 CO -0.04 -0.21 0.63 0.00 -0.73 0.00 0.00 179.01 178.66 3kl9 h ALA 195 N 0.48 1.37 -0.00 2.92 0.00 -1.08 -2.66 119.26 120.28 3kl9 h ALA 195 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kl9 h ALA 195 Cb 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kl9 h ALA 195 CO -0.02 0.54 -0.25 1.28 0.00 0.00 0.00 179.25 180.80 3kl9 n LEU 196 N -4.43 0.75 -0.16 0.00 4.32 -0.49 -4.64 117.00 112.35 3kl9 n LEU 196 Ca 0.12 -0.12 -0.04 0.00 -0.02 0.00 0.00 56.01 55.96 3kl9 n LEU 196 Cb 0.08 -0.18 -0.04 0.00 -1.62 0.00 0.00 43.42 41.67 3kl9 n LEU 196 CO 0.35 0.15 0.45 -0.24 -1.22 0.00 0.00 177.39 176.88 3kl9 n SER 197 N -0.91 -0.40 -0.08 -1.43 2.88 -0.79 -1.80 113.62 111.08 3kl9 n SER 197 Ca 0.11 1.21 -0.11 0.00 -1.33 0.00 0.00 58.87 58.75 3kl9 n SER 197 Cb 0.33 -0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 63.39 3kl9 n SER 197 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3kl9 h GLY 198 N 0.00 0.47 -2.96 0.46 0.00 -1.83 -3.47 103.07 95.73 3kl9 h GLY 198 Ca 0.06 -0.34 -0.57 0.00 0.00 0.00 0.00 47.33 46.48 3kl9 h GLY 198 CO -0.35 0.31 -0.60 -1.06 0.00 0.00 0.00 176.54 174.84 3kl9 n GLN 199 N -4.64 0.29 -5.12 4.80 1.13 -0.74 -5.04 117.38 108.05 3kl9 n GLN 199 Ca -0.04 0.13 -0.29 0.00 -1.94 0.00 0.00 57.00 54.86 3kl9 n GLN 199 Cb 0.24 -1.62 -0.16 0.00 0.11 0.00 0.00 30.24 28.81 3kl9 n GLN 199 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3kl9 s LYS 200 N -2.29 1.89 0.25 -1.09 -2.85 -1.26 -5.02 119.74 109.37 3kl9 s LYS 200 Ca 0.63 -0.81 0.09 0.00 -1.00 0.00 0.00 55.97 54.89 3kl9 s LYS 200 Cb -0.38 -1.79 -0.04 0.00 -2.06 0.00 0.00 37.83 33.55 3kl9 s LYS 200 CO 0.60 0.47 -0.03 -0.51 0.10 0.00 0.00 175.35 175.98 3kl9 s LEU 201 N -0.47 3.14 0.00 2.77 1.43 -1.26 -5.02 118.68 119.27 3kl9 s LEU 201 Ca 0.07 -0.64 0.30 0.00 -1.03 0.00 0.00 54.13 52.83 3kl9 s LEU 201 Cb -0.09 -1.69 1.53 0.00 0.03 0.00 0.00 46.19 45.97 3kl9 s LEU 201 CO -0.00 0.02 2.02 0.61 0.23 0.00 0.00 176.35 179.23 3kl9 n GLY 202 N -0.70 -0.69 3.35 -3.19 0.00 -1.26 -4.37 105.19 98.33 3kl9 n GLY 202 Ca -0.07 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.09 2.87 -0.72 1.61 2.20 -1.21 -4.09 114.94 113.51 3kl9 s ASN 203 Ca 0.41 -0.84 -0.23 0.00 -0.94 0.00 0.00 52.86 51.27 3kl9 s ASN 203 Cb 0.21 -0.18 0.07 0.00 -2.00 0.00 0.00 41.25 39.35 3kl9 s ASN 203 CO 0.38 0.02 1.04 -0.70 -2.94 0.00 0.00 177.10 174.89 3kl9 s GLU 204 N -2.66 3.20 -0.14 3.55 2.56 0.07 -4.45 118.70 120.84 3kl9 s GLU 204 Ca 0.16 -0.89 -0.24 0.00 0.00 0.00 0.00 54.97 54.00 3kl9 s GLU 204 Cb -0.07 -4.35 -0.02 0.00 2.00 0.00 0.00 34.13 31.68 3kl9 s GLU 204 CO 0.07 -1.87 0.76 -1.17 -0.56 0.00 0.00 175.26 172.50 3kl9 s LEU 205 N 4.12 4.22 -0.35 2.70 2.96 -0.89 -1.91 118.68 129.53 3kl9 s LEU 205 Ca 0.26 1.13 -0.08 0.00 -0.22 0.00 0.00 54.13 55.22 3kl9 s LEU 205 Cb -0.14 -3.14 0.03 0.00 0.50 0.00 0.00 46.19 43.45 3kl9 s LEU 205 CO 0.07 -0.29 0.15 -0.31 -1.32 0.00 0.00 176.35 174.66 3kl9 s TYR 206 N 1.66 3.25 -0.17 5.38 1.51 0.91 -0.04 117.35 129.84 3kl9 s TYR 206 Ca 0.37 -1.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.21 3kl9 s TYR 206 Cb -0.17 -2.34 0.00 0.00 -0.11 0.00 0.00 41.96 39.34 3kl9 s TYR 206 CO 0.14 -0.69 -0.16 -1.17 -1.11 0.00 0.00 175.55 172.57 3kl9 s LEU 207 N 1.47 2.40 0.00 -1.29 0.20 0.11 0.01 118.68 121.58 3kl9 s LEU 207 Ca -0.00 -0.52 0.00 0.00 0.69 0.00 0.00 54.13 54.30 3kl9 s LEU 207 Cb -0.19 -1.55 0.00 0.00 -0.43 0.00 0.00 46.19 44.01 3kl9 s LEU 207 CO 0.04 0.04 0.00 0.61 -0.29 0.00 0.00 176.35 176.76 3kl9 n GLY 208 N 4.33 -0.85 3.26 7.98 0.00 -0.14 0.11 105.19 119.89 3kl9 n GLY 208 Ca -0.20 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 3kl9 n GLY 208 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kl9 s SER 209 N -4.00 -0.42 0.82 1.61 0.15 -0.81 -1.84 113.70 109.20 3kl9 s SER 209 Ca 0.00 0.79 -0.10 0.00 0.70 0.00 0.00 55.95 57.34 3kl9 s SER 209 Cb 0.00 0.76 0.12 0.00 -1.71 0.00 0.00 66.02 65.20 3kl9 s SER 209 CO 0.00 -0.15 1.15 0.20 1.20 0.00 0.00 173.24 175.64 3kl9 s ASN 210 N 0.54 4.09 0.16 5.45 0.01 0.35 -2.93 114.94 122.61 3kl9 s ASN 210 Ca -0.03 0.33 0.07 0.00 -0.71 0.00 0.00 52.86 52.52 3kl9 s ASN 210 Cb -0.04 -0.69 -0.04 0.00 0.41 0.00 0.00 41.25 40.88 3kl9 s ASN 210 CO -0.03 -2.09 -0.03 0.54 -1.51 0.00 0.00 177.10 173.97 3kl9 s VAL 211 N -3.52 3.58 -1.36 1.60 0.11 -1.26 -1.59 120.40 117.95 3kl9 s VAL 211 Ca 0.66 -1.43 -0.12 0.00 -2.93 0.00 0.00 61.98 58.17 3kl9 s VAL 211 Cb -0.08 -2.77 0.01 0.00 -1.53 0.00 0.00 36.38 32.01 3kl9 s VAL 211 CO 0.48 -0.07 0.42 0.00 -3.33 0.00 0.00 175.10 172.61 3kl9 n GLN 212 N 0.06 -1.57 0.11 1.54 6.02 -1.26 -1.93 117.38 120.35 3kl9 n GLN 212 Ca -0.10 0.24 -0.18 0.00 -0.01 0.00 0.00 57.00 56.95 3kl9 n GLN 212 Cb 0.55 -3.72 -0.14 0.00 1.02 0.00 0.00 30.24 27.94 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 -2.02 0.33 0.00 -1.09 4.22 -1.89 -2.01 114.58 112.11 3kl9 h GLU 213 Ca -0.67 -0.56 0.00 0.00 0.08 0.00 0.00 59.36 58.21 3kl9 h GLU 213 Cb 1.39 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.85 3kl9 h GLU 213 CO 0.60 1.27 0.00 0.93 -2.18 0.00 0.00 179.01 179.63 3kl9 h GLU 214 N 0.09 0.00 -0.18 1.92 4.39 -1.90 -2.00 114.58 116.91 3kl9 h GLU 214 Ca -0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3kl9 h GLU 214 Cb 2.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 3kl9 h GLU 214 CO 0.22 0.00 0.00 1.33 -1.16 0.00 0.00 179.01 179.40 3kl9 n VAL 215 N -2.77 0.28 0.00 3.13 0.24 -1.26 -3.97 118.33 113.99 3kl9 n VAL 215 Ca -0.01 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3kl9 n VAL 215 Cb 0.16 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 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 1.09 0.33 3.70 7.63 0.00 -1.01 -4.90 105.19 112.03 3kl9 n GLY 216 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3kl9 n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kl9 n LEU 217 N 0.00 -3.16 -0.02 0.99 4.77 -0.78 -4.90 117.00 113.89 3kl9 n LEU 217 Ca 0.00 -0.68 -0.16 0.00 -0.03 0.00 0.00 56.01 55.14 3kl9 n LEU 217 Cb 0.00 -2.82 -0.10 0.00 -2.33 0.00 0.00 43.42 38.17 3kl9 n LEU 217 CO 0.00 0.51 0.39 0.03 -1.33 0.00 0.00 177.39 176.99 3kl9 h ARG 218 N -2.24 0.34 0.00 3.23 3.08 -1.56 -3.15 114.38 114.08 3kl9 h ARG 218 Ca -0.58 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.10 3kl9 h ARG 218 Cb 1.37 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 3kl9 h ARG 218 CO 0.59 0.96 -0.33 0.78 -1.07 0.00 0.00 179.97 180.89 3kl9 h GLY 219 N -0.17 0.00 1.47 0.04 0.00 -1.52 -2.71 103.07 100.17 3kl9 h GLY 219 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3kl9 h GLY 219 CO 0.08 0.00 0.28 0.00 0.00 0.00 0.00 176.54 176.89 3kl9 h ALA 220 N 1.67 1.52 0.08 3.60 0.00 -1.75 0.45 119.26 124.83 3kl9 h ALA 220 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kl9 h ALA 220 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kl9 h ALA 220 CO 0.04 0.40 -0.07 0.45 0.00 0.00 0.00 179.25 180.07 3kl9 h HIS 221 N 0.71 -0.18 0.11 0.00 -0.00 -1.47 -3.06 115.15 111.26 3kl9 h HIS 221 Ca 0.18 0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 60.28 3kl9 h HIS 221 Cb 0.03 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.50 3kl9 h HIS 221 CO 0.00 -0.11 -1.25 1.79 -0.00 0.00 0.00 177.93 178.36 3kl9 h THR 222 N -0.16 1.48 0.05 2.45 1.35 -1.38 -2.96 112.91 113.73 3kl9 h THR 222 Ca 0.00 -3.08 -0.27 0.00 -0.55 0.00 0.00 66.41 62.51 3kl9 h THR 222 Cb 0.15 2.90 0.02 0.00 -1.73 0.00 0.00 68.15 69.49 3kl9 h THR 222 CO -0.01 0.89 -1.11 0.77 -0.25 0.00 0.00 175.52 175.81 3kl9 h SER 223 N 0.06 0.84 -0.59 5.36 4.64 -1.05 -2.41 113.55 120.39 3kl9 h SER 223 Ca -0.13 -0.71 -0.07 0.00 -0.47 0.00 0.00 61.79 60.41 3kl9 h SER 223 Cb 1.95 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.76 3kl9 h SER 223 CO 0.18 1.52 0.11 0.74 -0.87 0.00 0.00 176.83 178.51 3kl9 h THR 224 N 0.32 1.26 -0.02 2.95 2.02 -1.62 -1.00 112.91 116.82 3kl9 h THR 224 Ca -0.14 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 3kl9 h THR 224 Cb 1.77 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.92 3kl9 h THR 224 CO 0.21 0.36 0.01 0.74 0.37 0.00 0.00 175.52 177.21 3kl9 h THR 225 N 0.88 1.10 -0.64 3.16 2.02 -1.58 -0.72 112.91 117.13 3kl9 h THR 225 Ca 0.18 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3kl9 h THR 225 Cb 0.40 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 3kl9 h THR 225 CO 0.01 0.08 0.39 0.50 0.37 0.00 0.00 175.52 176.87 3kl9 h LYS 226 N -0.09 0.87 0.00 6.66 3.64 -1.31 -3.25 116.57 123.08 3kl9 h LYS 226 Ca 0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3kl9 h LYS 226 Cb 0.12 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3kl9 h LYS 226 CO -0.00 0.61 -0.99 1.19 -2.27 0.00 0.00 179.45 177.99 3kl9 n PHE 227 N -4.60 0.00 -3.73 1.91 0.99 -0.39 -5.02 117.46 106.63 3kl9 n PHE 227 Ca 0.05 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.22 3kl9 n PHE 227 Cb 0.05 -0.04 0.03 0.00 -1.00 0.00 0.00 39.48 38.52 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 -1.52 -3.55 -4.82 4.37 4.64 -0.28 -4.96 116.55 110.42 3kl9 n ASP 228 Ca 0.04 -0.97 -0.32 0.00 -1.38 0.00 0.00 54.79 52.15 3kl9 n ASP 228 Cb 0.34 -3.47 -0.00 0.00 -1.04 0.00 0.00 41.12 36.94 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 -6.06 3.52 0.25 -0.67 0.04 -1.26 -4.79 135.00 126.05 3kl9 s PRO 229 Ca 0.29 1.04 0.20 0.00 0.04 0.00 0.00 61.00 62.58 3kl9 s PRO 229 Cb -0.10 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.45 3kl9 s PRO 229 CO 0.86 -0.63 1.22 0.93 0.04 0.00 0.00 177.00 179.42 3kl9 h GLU 230 N 0.40 0.00 -3.19 4.56 5.08 -0.94 -3.46 114.58 117.03 3kl9 h GLU 230 Ca -0.46 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.74 3kl9 h GLU 230 Cb 1.20 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.21 3kl9 h GLU 230 CO 0.59 0.13 -0.43 0.08 -1.00 0.00 0.00 179.01 178.39 3kl9 s VAL 231 N -3.18 0.02 -0.05 3.13 1.01 -1.17 -4.10 120.40 116.05 3kl9 s VAL 231 Ca 0.02 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3kl9 s VAL 231 Cb 0.08 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.09 3kl9 s VAL 231 CO 0.75 -0.08 -0.11 0.12 0.00 0.00 0.00 175.10 175.78 3kl9 s PHE 232 N -0.24 1.30 -0.32 5.22 2.19 -0.33 -2.07 117.98 123.73 3kl9 s PHE 232 Ca -0.04 -0.43 0.02 0.00 0.33 0.00 0.00 56.93 56.81 3kl9 s PHE 232 Cb -0.03 -0.95 0.08 0.00 -1.31 0.00 0.00 43.02 40.81 3kl9 s PHE 232 CO 0.01 -0.22 0.01 -0.51 1.83 0.00 0.00 175.22 176.34 3kl9 s LEU 233 N 0.55 4.26 0.50 6.12 1.02 -0.36 -2.36 118.68 128.40 3kl9 s LEU 233 Ca -0.11 -1.74 -0.21 0.00 0.02 0.00 0.00 54.13 52.09 3kl9 s LEU 233 Cb -0.14 -1.65 -0.07 0.00 0.02 0.00 0.00 46.19 44.35 3kl9 s LEU 233 CO 0.03 -0.32 1.09 0.00 0.02 0.00 0.00 176.35 177.16 3kl9 s ALA 234 N 1.06 2.83 -0.18 4.21 0.00 0.20 -1.52 121.76 128.37 3kl9 s ALA 234 Ca 0.01 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 3kl9 s ALA 234 Cb -0.20 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.66 3kl9 s ALA 234 CO -0.05 -0.52 0.01 0.08 0.00 0.00 0.00 175.76 175.28 3kl9 s VAL 235 N -1.82 0.68 -0.01 0.00 1.01 0.41 0.77 120.40 121.44 3kl9 s VAL 235 Ca 0.68 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 3kl9 s VAL 235 Cb -0.21 -1.07 0.10 0.00 0.00 0.00 0.00 36.38 35.20 3kl9 s VAL 235 CO 0.25 -0.09 0.85 -0.62 0.00 0.00 0.00 175.10 175.50 3kl9 s ASP 236 N 1.80 -0.41 0.14 3.32 3.68 -1.21 -4.20 116.67 119.79 3kl9 s ASP 236 Ca -0.00 0.12 0.11 0.00 2.13 0.00 0.00 52.55 54.91 3kl9 s ASP 236 Cb -0.16 0.41 -0.04 0.00 -1.45 0.00 0.00 42.92 41.68 3kl9 s ASP 236 CO -0.07 -0.62 -0.26 0.00 0.13 0.00 0.00 175.17 174.34 3kl9 s SER 238 N -2.17 2.78 0.32 0.00 0.01 -0.63 -4.87 113.70 109.15 3kl9 s SER 238 Ca 0.15 -1.10 -0.28 0.00 1.31 0.00 0.00 55.95 56.03 3kl9 s SER 238 Cb -0.10 -0.17 -0.13 0.00 0.21 0.00 0.00 66.02 65.84 3kl9 s SER 238 CO 0.07 -0.22 1.26 -2.65 0.41 0.00 0.00 173.24 172.10 3kl9 n PRO 239 N -0.50 2.01 -3.47 12.44 -0.02 -1.26 -1.21 135.00 142.99 3kl9 n PRO 239 Ca -0.07 0.70 -0.37 0.00 -2.02 0.00 0.00 63.50 61.75 3kl9 n PRO 239 Cb 0.62 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 3kl9 n PRO 239 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kl9 s ALA 240 N -0.99 3.57 -2.71 3.55 0.00 0.24 -4.57 121.76 120.84 3kl9 s ALA 240 Ca 0.57 -0.50 0.24 0.00 0.00 0.00 0.00 51.96 52.27 3kl9 s ALA 240 Cb -0.60 -2.50 0.25 0.00 0.00 0.00 0.00 23.12 20.27 3kl9 s ALA 240 CO 0.61 -0.09 1.28 0.41 0.00 0.00 0.00 175.76 177.97 3kl9 n GLY 241 N 3.66 0.65 0.41 0.00 0.00 -0.11 -4.65 105.19 105.16 3kl9 n GLY 241 Ca -0.10 -0.65 0.25 0.00 0.00 0.00 0.00 46.02 45.52 3kl9 n GLY 241 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3kl9 h ASP 242 N 3.90 0.42 1.25 1.61 3.04 -1.28 0.66 116.42 126.01 3kl9 h ASP 242 Ca 0.00 0.09 -0.12 0.00 -3.24 0.00 0.00 57.03 53.77 3kl9 h ASP 242 Cb 0.89 0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 39.19 3kl9 h ASP 242 CO 0.00 0.04 -0.78 1.62 -2.04 0.00 0.00 179.24 178.08 3kl9 h VAL 243 N 0.34 0.73 -0.69 4.15 3.04 -1.87 -3.23 116.25 118.73 3kl9 h VAL 243 Ca 0.63 -2.11 -0.17 0.00 -1.01 0.00 0.00 66.70 64.04 3kl9 h VAL 243 Cb 1.67 2.28 -0.10 0.00 -2.01 0.00 0.00 31.29 33.13 3kl9 h VAL 243 CO -0.33 0.42 0.20 -1.22 -1.01 0.00 0.00 177.57 175.63 3kl9 n TYR 244 N -3.11 2.33 0.00 3.17 0.53 -0.06 -4.91 117.16 115.11 3kl9 n TYR 244 Ca -0.01 -1.11 0.00 0.00 -1.02 0.00 0.00 57.90 55.76 3kl9 n TYR 244 Cb 0.76 -0.64 0.00 0.00 -1.03 0.00 0.00 39.34 38.43 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 -0.02 2.94 0.00 2.72 0.00 -1.03 -5.00 105.19 104.80 3kl9 n GLY 245 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.98 -2.08 3.89 -0.02 0.00 0.03 -4.89 105.19 100.13 3kl9 n GLY 246 Ca 0.00 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.31 2.92 0.00 1.61 -2.07 -1.26 -3.60 119.66 114.94 3kl9 s GLN 247 Ca 0.00 -1.13 0.00 0.00 -1.82 0.00 0.00 55.36 52.41 3kl9 s GLN 247 Cb 0.00 -2.61 0.00 0.00 -1.09 0.00 0.00 33.01 29.31 3kl9 s GLN 247 CO 0.00 0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.57 3kl9 n GLY 248 N -1.39 -0.49 3.19 2.60 0.00 -1.26 -0.93 105.19 106.91 3kl9 n GLY 248 Ca -0.04 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.82 3.13 0.13 1.61 2.20 -1.26 -1.38 119.74 123.35 3kl9 s LYS 249 Ca 0.00 -0.77 -0.35 0.00 -0.36 0.00 0.00 55.97 54.50 3kl9 s LYS 249 Cb 0.00 -2.68 -0.14 0.00 -1.51 0.00 0.00 37.83 33.49 3kl9 s LYS 249 CO 0.00 -0.16 1.53 -0.89 -0.36 0.00 0.00 175.35 175.47 3kl9 n ILE 250 N 4.55 0.02 -0.16 5.43 -0.00 -1.26 -2.00 119.36 125.94 3kl9 n ILE 250 Ca -0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 3kl9 n ILE 250 Cb 0.51 -1.38 0.00 0.00 -0.00 0.00 0.00 39.64 38.76 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 3.25 1.33 1.17 7.39 0.00 -1.26 -4.90 105.19 112.18 3kl9 n GLY 251 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 3.41 0.00 1.61 9.92 -0.85 -4.89 116.55 125.75 3kl9 n ASP 252 Ca 0.00 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 3kl9 n ASP 252 Cb 0.00 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 3kl9 n ASP 252 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kl9 n GLY 253 N 0.95 -1.75 3.83 0.44 0.00 -1.26 -3.95 105.19 103.46 3kl9 n GLY 253 Ca 0.18 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 3kl9 n GLY 253 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kl9 s THR 254 N 0.00 4.24 0.01 2.61 -1.32 -0.57 -4.60 115.64 116.00 3kl9 s THR 254 Ca 0.00 0.96 -0.13 0.00 -1.21 0.00 0.00 61.69 61.31 3kl9 s THR 254 Cb 0.00 -3.58 -0.06 0.00 -1.51 0.00 0.00 72.50 67.35 3kl9 s THR 254 CO 0.00 -0.72 0.38 -0.76 -2.21 0.00 0.00 174.62 171.31 3kl9 s LEU 255 N -4.61 4.44 -0.49 9.08 1.43 -0.48 -0.84 118.68 127.21 3kl9 s LEU 255 Ca 0.60 0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 54.52 3kl9 s LEU 255 Cb -0.13 -2.62 0.13 0.00 0.03 0.00 0.00 46.19 43.60 3kl9 s LEU 255 CO 0.40 0.30 0.34 -0.63 0.23 0.00 0.00 176.35 177.00 3kl9 s ILE 256 N -1.14 3.96 -0.97 -0.59 -1.09 -0.22 -4.25 121.20 116.91 3kl9 s ILE 256 Ca 0.25 -2.06 -0.19 0.00 -2.23 0.00 0.00 60.65 56.41 3kl9 s ILE 256 Cb -0.16 -3.62 0.12 0.00 -1.58 0.00 0.00 42.46 37.22 3kl9 s ILE 256 CO 0.13 -0.78 1.21 -0.60 -1.23 0.00 0.00 174.94 173.68 3kl9 s ARG 257 N 1.04 3.63 0.22 2.79 3.52 -1.26 -1.10 118.95 127.80 3kl9 s ARG 257 Ca 0.09 -1.69 0.10 0.00 -0.13 0.00 0.00 55.73 54.10 3kl9 s ARG 257 Cb -0.24 -5.02 0.13 0.00 -1.56 0.00 0.00 34.95 28.27 3kl9 s ARG 257 CO -0.03 -1.86 1.48 0.27 -0.81 0.00 0.00 175.30 174.35 3kl9 h PHE 258 N 8.90 0.00 -3.54 5.12 -5.15 -1.92 -3.40 116.94 116.95 3kl9 h PHE 258 Ca 0.18 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.77 3kl9 h PHE 258 Cb 1.01 0.00 -0.24 0.00 0.22 0.00 0.00 35.95 36.94 3kl9 h PHE 258 CO 1.19 0.74 -0.58 -0.47 -2.00 0.00 0.00 178.31 177.19 3kl9 s TYR 259 N -3.19 -0.03 0.18 6.09 6.14 -1.26 -2.11 117.35 123.16 3kl9 s TYR 259 Ca 0.00 0.07 -0.14 0.00 0.64 0.00 0.00 57.07 57.65 3kl9 s TYR 259 Cb 0.11 -0.01 0.01 0.00 0.42 0.00 0.00 41.96 42.49 3kl9 s TYR 259 CO 0.78 -0.14 0.41 0.16 0.64 0.00 0.00 175.55 177.40 3kl9 s ASP 260 N -0.53 -0.12 0.47 4.32 1.47 -0.66 0.30 116.67 121.91 3kl9 s ASP 260 Ca -0.06 -0.64 0.32 0.00 1.18 0.00 0.00 52.55 53.34 3kl9 s ASP 260 Cb -0.04 0.51 1.68 0.00 -0.34 0.00 0.00 42.92 44.73 3kl9 s ASP 260 CO 0.00 -0.97 1.97 -0.65 0.68 0.00 0.00 175.17 176.20 3kl9 h PRO 261 N 2.36 0.00 -0.02 2.11 0.11 -1.84 -1.92 132.00 132.80 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kl9 h PRO 261 CO 0.43 0.00 -0.10 0.41 -0.21 0.00 0.00 178.00 178.53 3kl9 n GLY 262 N -1.04 0.08 3.64 -0.55 0.00 -1.26 -5.01 105.19 101.05 3kl9 n GLY 262 Ca -0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.47 -0.93 -0.22 1.61 5.65 -0.72 -4.54 115.29 114.67 3kl9 s HIS 263 Ca 0.16 1.88 -0.09 0.00 0.25 0.00 0.00 55.06 57.27 3kl9 s HIS 263 Cb 0.13 0.55 -0.04 0.00 -1.18 0.00 0.00 32.58 32.04 3kl9 s HIS 263 CO 0.25 -0.46 0.11 -0.51 -0.65 0.00 0.00 174.74 173.48 3kl9 s LEU 264 N 1.49 3.91 0.03 8.88 1.43 -1.26 -1.66 118.68 131.50 3kl9 s LEU 264 Ca -0.09 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 3kl9 s LEU 264 Cb -0.05 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.08 3kl9 s LEU 264 CO -0.18 0.09 1.57 -0.22 0.23 0.00 0.00 176.35 177.85 3kl9 s LEU 265 N 0.87 4.34 0.54 1.79 2.96 -0.90 -4.94 118.68 123.34 3kl9 s LEU 265 Ca 0.06 2.32 -0.15 0.00 -0.22 0.00 0.00 54.13 56.14 3kl9 s LEU 265 Cb -0.13 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 3kl9 s LEU 265 CO 0.03 -0.84 0.99 -0.76 -1.32 0.00 0.00 176.35 174.44 3kl9 s LEU 266 N 2.81 3.54 0.23 -0.68 1.43 -1.26 -4.90 118.68 119.85 3kl9 s LEU 266 Ca 0.71 1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 55.27 3kl9 s LEU 266 Cb -0.36 -4.47 0.23 0.00 0.03 0.00 0.00 46.19 41.62 3kl9 s LEU 266 CO 0.30 -0.65 1.71 -0.65 0.23 0.00 0.00 176.35 177.29 3kl9 h PRO 267 N 0.62 0.91 -0.86 1.29 0.11 -1.94 0.32 132.00 132.45 3kl9 h PRO 267 Ca -0.46 -0.26 0.03 0.00 0.11 0.00 0.00 66.00 65.41 3kl9 h PRO 267 Cb 1.19 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3kl9 h PRO 267 CO 0.62 0.90 0.56 0.78 -0.21 0.00 0.00 178.00 180.65 3kl9 h GLY 268 N 0.99 1.24 1.24 -0.55 0.00 -1.89 0.45 103.07 104.55 3kl9 h GLY 268 Ca 0.16 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 3kl9 h GLY 268 CO 0.02 0.38 -0.57 1.98 0.00 0.00 0.00 176.54 178.36 3kl9 h MET 269 N 1.10 0.80 -0.75 4.80 -1.53 -1.70 -2.80 114.93 114.85 3kl9 h MET 269 Ca 0.34 -0.52 0.04 0.00 -3.44 0.00 0.00 59.70 56.12 3kl9 h MET 269 Cb -0.03 0.06 -0.05 0.00 -0.55 0.00 0.00 31.60 31.04 3kl9 h MET 269 CO -0.10 1.14 0.46 -0.22 0.14 0.00 0.00 176.91 178.33 3kl9 h LYS 270 N 0.60 0.86 -0.49 0.39 3.64 -0.39 0.12 116.57 121.30 3kl9 h LYS 270 Ca 0.01 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3kl9 h LYS 270 Cb 1.16 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3kl9 h LYS 270 CO 0.12 0.57 0.30 -0.44 -2.27 0.00 0.00 179.45 177.73 3kl9 h ASP 271 N 0.89 0.59 -0.30 4.20 3.32 -0.89 -1.44 116.42 122.78 3kl9 h ASP 271 Ca 0.31 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 3kl9 h ASP 271 Cb 0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3kl9 h ASP 271 CO -0.13 0.46 -0.12 0.15 -1.72 0.00 0.00 179.24 177.88 3kl9 h PHE 272 N 0.66 0.70 -0.09 4.55 3.57 -1.16 -1.48 116.94 123.69 3kl9 h PHE 272 Ca 0.18 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.55 3kl9 h PHE 272 Cb -0.02 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3kl9 h PHE 272 CO -0.03 0.83 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.67 3kl9 h LEU 273 N 0.37 -0.43 -0.23 0.59 3.38 -0.67 -2.06 115.31 116.25 3kl9 h LEU 273 Ca 0.07 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3kl9 h LEU 273 Cb 0.63 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3kl9 h LEU 273 CO 0.04 -0.19 -0.05 -0.07 0.09 0.00 0.00 178.44 178.26 3kl9 h LEU 274 N -0.19 0.45 -0.26 1.67 3.38 -1.21 -0.55 115.31 118.60 3kl9 h LEU 274 Ca 0.08 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.74 3kl9 h LEU 274 Cb 0.30 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3kl9 h LEU 274 CO -0.21 0.70 -0.09 0.74 0.09 0.00 0.00 178.44 179.68 3kl9 h THR 275 N 0.18 0.69 -0.19 0.22 2.02 -1.32 -1.03 112.91 113.48 3kl9 h THR 275 Ca 0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3kl9 h THR 275 Cb 0.50 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3kl9 h THR 275 CO 0.02 0.00 0.11 0.74 0.37 0.00 0.00 175.52 176.76 3kl9 h THR 276 N -0.04 1.10 0.00 3.16 2.02 -1.27 -1.31 112.91 116.56 3kl9 h THR 276 Ca 0.13 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3kl9 h THR 276 Cb 0.23 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3kl9 h THR 276 CO -0.29 0.09 -0.07 0.00 0.37 0.00 0.00 175.52 175.63 3kl9 h ALA 277 N 1.01 1.69 0.04 6.16 0.00 -0.86 -1.42 119.26 125.87 3kl9 h ALA 277 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kl9 h ALA 277 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kl9 h ALA 277 CO -0.01 0.09 -0.02 1.49 0.00 0.00 0.00 179.25 180.80 3kl9 h GLU 278 N 0.00 -0.05 0.00 0.00 4.57 -0.86 -1.21 114.58 117.03 3kl9 h GLU 278 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3kl9 h GLU 278 Cb 0.14 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3kl9 h GLU 278 CO 0.01 0.48 -0.09 0.93 -1.18 0.00 0.00 179.01 179.16 3kl9 h GLU 279 N -0.96 0.00 -0.01 1.92 5.08 -1.10 -2.57 114.58 116.94 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 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3kl9 h GLU 279 CO 0.01 0.09 -0.38 0.00 -1.00 0.00 0.00 179.01 177.72 3kl9 n ALA 280 N -2.21 3.36 -2.38 3.43 0.00 -0.55 -4.97 120.51 117.19 3kl9 n ALA 280 Ca -0.01 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.77 3kl9 n ALA 280 Cb 0.24 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.38 -0.08 3.72 0.00 0.00 -0.97 -4.99 105.19 104.25 3kl9 n GLY 281 Ca 0.11 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.69 4.48 -0.10 -0.61 -1.09 -0.46 -5.02 121.20 115.70 3kl9 s ILE 282 Ca 0.06 1.90 -0.29 0.00 -2.23 0.00 0.00 60.65 60.09 3kl9 s ILE 282 Cb -0.02 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.62 3kl9 s ILE 282 CO 0.07 0.22 0.95 -0.75 -1.23 0.00 0.00 174.94 174.20 3kl9 s LYS 283 N 0.52 4.42 0.15 2.79 2.20 -1.26 -4.80 119.74 123.75 3kl9 s LYS 283 Ca 0.51 1.30 -0.04 0.00 -0.36 0.00 0.00 55.97 57.38 3kl9 s LYS 283 Cb -0.24 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 3kl9 s LYS 283 CO 0.30 -0.25 0.15 1.52 -0.36 0.00 0.00 175.35 176.71 3kl9 s TYR 284 N 1.81 0.67 -0.04 4.03 -0.85 -1.26 -1.52 117.35 120.19 3kl9 s TYR 284 Ca 0.47 -1.04 -0.04 0.00 -0.52 0.00 0.00 57.07 55.94 3kl9 s TYR 284 Cb -0.18 -0.30 0.01 0.00 0.38 0.00 0.00 41.96 41.86 3kl9 s TYR 284 CO 0.19 -0.60 0.11 1.14 -1.52 0.00 0.00 175.55 174.86 3kl9 s GLN 285 N -4.02 0.13 0.30 -3.49 -2.07 -0.02 -4.86 119.66 105.64 3kl9 s GLN 285 Ca 0.21 0.17 -0.29 0.00 -1.82 0.00 0.00 55.36 53.63 3kl9 s GLN 285 Cb 0.06 0.05 -0.10 0.00 -1.09 0.00 0.00 33.01 31.92 3kl9 s GLN 285 CO 0.01 -0.03 1.27 0.71 -1.32 0.00 0.00 175.29 175.94 3kl9 s TYR 286 N 0.13 3.17 -0.05 9.60 1.51 -1.26 -1.05 117.35 129.40 3kl9 s TYR 286 Ca -0.01 1.43 -0.02 0.00 -1.01 0.00 0.00 57.07 57.46 3kl9 s TYR 286 Cb -0.02 -3.60 0.04 0.00 -0.11 0.00 0.00 41.96 38.27 3kl9 s TYR 286 CO -0.00 -1.64 0.11 -0.47 -1.11 0.00 0.00 175.55 172.44 3kl9 s TYR 287 N -0.94 -0.10 -0.37 2.71 5.04 -0.25 -4.78 117.35 118.65 3kl9 s TYR 287 Ca 0.49 0.39 -0.09 0.00 -2.44 0.00 0.00 57.07 55.42 3kl9 s TYR 287 Cb -0.38 -0.15 0.04 0.00 0.35 0.00 0.00 41.96 41.82 3kl9 s TYR 287 CO 0.48 -0.15 0.18 0.00 -1.34 0.00 0.00 175.55 174.72 3kl9 s GLY 289 N 1.61 2.71 0.02 0.00 0.00 0.15 -4.92 107.32 106.89 3kl9 s GLY 289 Ca 0.01 0.98 0.22 0.00 0.00 0.00 0.00 44.72 45.93 3kl9 s GLY 289 CO 0.04 1.84 0.85 0.28 0.00 0.00 0.00 173.10 176.11 3kl9 n LYS 290 N 2.27 0.32 -4.35 2.90 5.02 -1.26 -4.16 118.16 118.91 3kl9 n LYS 290 Ca 0.04 -0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.09 3kl9 n LYS 290 Cb 0.44 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 33.80 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 -3.74 1.54 0.73 0.72 0.00 -1.26 -4.70 107.32 100.61 3kl9 s GLY 291 Ca 0.02 -1.75 -0.10 0.00 0.00 0.00 0.00 44.72 42.89 3kl9 s GLY 291 CO 0.85 -1.71 1.09 -0.32 0.00 0.00 0.00 173.10 173.01 3kl9 s GLY 292 N -3.32 1.62 0.35 0.20 0.00 -1.26 -4.68 107.32 100.22 3kl9 s GLY 292 Ca 0.26 -0.58 0.05 0.00 0.00 0.00 0.00 44.72 44.44 3kl9 s GLY 292 CO 0.08 -0.18 0.18 -0.51 0.00 0.00 0.00 173.10 172.68 3kl9 s THR 293 N -3.38 0.32 0.38 0.90 -4.23 -1.26 -5.04 115.64 103.32 3kl9 s THR 293 Ca 0.59 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.25 3kl9 s THR 293 Cb -0.11 -2.45 0.36 0.00 1.34 0.00 0.00 72.50 71.65 3kl9 s THR 293 CO 0.49 0.00 1.79 0.44 -0.54 0.00 0.00 174.62 176.80 3kl9 h ASP 294 N 2.05 0.53 -1.00 3.99 3.32 -1.95 -0.36 116.42 123.00 3kl9 h ASP 294 Ca -0.32 0.08 0.26 0.00 0.02 0.00 0.00 57.03 57.07 3kl9 h ASP 294 Cb 1.25 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.72 3kl9 h ASP 294 CO 0.49 0.14 0.67 0.00 -1.72 0.00 0.00 179.24 178.82 3kl9 h ALA 295 N 1.63 2.44 -0.02 3.45 0.00 -1.96 -1.65 119.26 123.15 3kl9 h ALA 295 Ca 0.57 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3kl9 h ALA 295 Cb 1.29 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kl9 h ALA 295 CO -0.30 -0.77 0.01 0.78 0.00 0.00 0.00 179.25 178.97 3kl9 h GLY 296 N 0.29 0.00 0.00 0.00 0.00 -1.29 -2.00 103.07 100.07 3kl9 h GLY 296 Ca 0.53 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.52 3kl9 h GLY 296 CO -0.18 0.00 -2.27 0.00 0.00 0.00 0.00 176.54 174.09 3kl9 n ALA 297 N -2.41 1.52 0.01 3.60 0.00 -0.72 -4.62 120.51 117.89 3kl9 n ALA 297 Ca -0.03 -0.98 -0.11 0.00 0.00 0.00 0.00 53.44 52.32 3kl9 n ALA 297 Cb 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 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 0.10 0.09 0.00 0.00 0.00 -1.19 -2.91 119.26 115.36 3kl9 h ALA 298 Ca -0.50 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kl9 h ALA 298 Cb 1.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 3kl9 h ALA 298 CO -0.07 -0.44 -0.00 1.12 0.00 0.00 0.00 179.25 179.87 3kl9 h HIS 299 N 0.07 0.00 -0.08 0.00 2.07 -1.51 -0.69 115.15 115.01 3kl9 h HIS 299 Ca 0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 3kl9 h HIS 299 Cb 0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.00 3kl9 h HIS 299 CO -0.10 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.04 3kl9 n LEU 300 N -3.09 1.94 -4.90 6.12 4.77 -1.10 -1.26 117.00 119.49 3kl9 n LEU 300 Ca -0.03 -0.71 -0.29 0.00 -0.03 0.00 0.00 56.01 54.96 3kl9 n LEU 300 Cb 0.08 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3kl9 n LEU 300 CO 0.20 0.35 0.30 -0.54 -1.33 0.00 0.00 177.39 176.37 3kl9 s LYS 301 N -1.91 3.66 4.82 3.23 -0.14 -0.27 -4.76 119.74 124.37 3kl9 s LYS 301 Ca 0.35 0.14 0.00 0.00 -1.36 0.00 0.00 55.97 55.10 3kl9 s LYS 301 Cb 0.20 -2.55 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 3kl9 s LYS 301 CO 0.31 0.10 0.00 0.09 -0.76 0.00 0.00 175.35 175.09 3kl9 n ASN 302 N -1.22 0.00 0.02 2.83 3.02 -1.26 -1.65 115.26 116.99 3kl9 n ASN 302 Ca -0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 3kl9 n ASN 302 Cb 0.54 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.16 3kl9 n ASN 302 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kl9 n GLY 303 N 0.00 -1.26 0.00 7.41 0.00 -1.26 -4.96 105.19 105.12 3kl9 n GLY 303 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.65 3.36 2.68 -0.02 0.00 -0.66 -5.11 105.19 106.10 3kl9 n GLY 304 Ca 0.05 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.49 0.42 0.33 1.61 1.01 -0.39 -4.97 120.40 117.91 3kl9 s VAL 305 Ca 0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 3kl9 s VAL 305 Cb 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 36.38 35.15 3kl9 s VAL 305 CO 0.00 -0.42 1.30 -2.65 0.00 0.00 0.00 175.10 173.33 3kl9 n PRO 306 N 5.07 2.11 -4.07 2.72 -0.02 -1.26 -4.07 135.00 135.48 3kl9 n PRO 306 Ca -0.07 0.74 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 3kl9 n PRO 306 Cb 0.45 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 3kl9 n PRO 306 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kl9 s SER 307 N -0.23 0.01 0.05 2.55 0.01 -1.26 -1.19 113.70 113.64 3kl9 s SER 307 Ca 0.57 -1.09 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 3kl9 s SER 307 Cb -0.58 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.16 3kl9 s SER 307 CO 0.61 -1.00 0.18 0.35 0.41 0.00 0.00 173.24 173.78 3kl9 n THR 308 N -0.32 0.00 -4.38 1.44 -2.24 -1.00 -4.69 114.28 103.09 3kl9 n THR 308 Ca -0.01 -0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 61.33 3kl9 n THR 308 Cb 0.63 0.16 -0.16 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.61 1.76 -0.68 4.28 2.01 -1.26 0.61 115.64 119.75 3kl9 s THR 309 Ca 0.04 -0.78 -0.26 0.00 0.31 0.00 0.00 61.69 61.00 3kl9 s THR 309 Cb -0.01 -1.59 0.04 0.00 0.01 0.00 0.00 72.50 70.95 3kl9 s THR 309 CO 0.01 0.49 1.16 -0.63 -0.69 0.00 0.00 174.62 174.97 3kl9 s ILE 310 N 1.08 3.96 0.26 1.82 -1.09 0.23 -4.70 121.20 122.77 3kl9 s ILE 310 Ca -0.03 0.27 0.09 0.00 -2.23 0.00 0.00 60.65 58.76 3kl9 s ILE 310 Cb -0.14 -4.81 -0.04 0.00 -1.58 0.00 0.00 42.46 35.89 3kl9 s ILE 310 CO -0.05 -1.63 0.02 -0.83 -1.23 0.00 0.00 174.94 171.22 3kl9 s GLY 311 N 3.55 1.62 0.01 6.18 0.00 -1.26 -3.35 107.32 114.07 3kl9 s GLY 311 Ca 0.32 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.44 3kl9 s GLY 311 CO 0.15 -1.67 -0.02 0.14 0.00 0.00 0.00 173.10 171.70 3kl9 s VAL 312 N -2.28 0.15 0.30 1.40 1.01 -1.23 -1.38 120.40 118.36 3kl9 s VAL 312 Ca 0.31 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.94 3kl9 s VAL 312 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3kl9 s VAL 312 CO 0.21 -0.17 0.43 0.00 0.00 0.00 0.00 175.10 175.57 3kl9 s ALA 314 N -2.11 -1.21 -0.00 0.00 0.00 -0.35 -4.73 121.76 113.36 3kl9 s ALA 314 Ca 0.41 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 3kl9 s ALA 314 Cb -0.09 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.10 3kl9 s ALA 314 CO 0.31 -0.36 0.45 1.03 0.00 0.00 0.00 175.76 177.19 3kl9 s ARG 315 N -1.60 4.03 -1.05 0.00 0.52 0.05 0.79 118.95 121.70 3kl9 s ARG 315 Ca -0.10 0.48 -0.02 0.00 -0.52 0.00 0.00 55.73 55.56 3kl9 s ARG 315 Cb -0.02 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.20 3kl9 s ARG 315 CO 0.04 0.61 0.89 0.66 0.02 0.00 0.00 175.30 177.52 3kl9 n TYR 316 N 2.04 -2.01 -1.30 -0.53 4.01 -1.26 -1.64 117.16 116.47 3kl9 n TYR 316 Ca -0.12 0.81 -0.35 0.00 -0.16 0.00 0.00 57.90 58.07 3kl9 n TYR 316 Cb 0.52 -4.52 0.09 0.00 -0.31 0.00 0.00 39.34 35.12 3kl9 n TYR 316 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3kl9 n ILE 317 N -3.92 2.52 -3.42 -0.72 0.13 -1.26 -3.53 119.36 109.16 3kl9 n ILE 317 Ca -0.17 -0.35 -0.20 0.00 -1.10 0.00 0.00 62.75 60.94 3kl9 n ILE 317 Cb 0.61 -1.06 0.07 0.00 -0.84 0.00 0.00 39.64 38.43 3kl9 n ILE 317 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 3kl9 n HIS 318 N -2.62 -2.40 -3.77 9.51 8.25 -1.26 -5.01 115.22 117.92 3kl9 n HIS 318 Ca 0.13 0.88 -0.03 0.00 -0.26 0.00 0.00 57.72 58.44 3kl9 n HIS 318 Cb 0.50 -4.59 -0.01 0.00 1.12 0.00 0.00 29.99 27.01 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 -2.56 -0.20 0.04 0.41 3.41 -1.23 -4.74 113.62 108.76 3kl9 n SER 319 Ca -0.05 -1.33 0.13 0.00 -0.26 0.00 0.00 58.87 57.35 3kl9 n SER 319 Cb 0.57 0.38 0.32 0.00 -0.26 0.00 0.00 64.21 65.22 3kl9 n SER 319 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kl9 n HIS 320 N -0.10 0.35 -3.64 7.33 8.25 -1.26 -4.43 115.22 121.72 3kl9 n HIS 320 Ca 0.00 0.10 -0.28 0.00 -0.26 0.00 0.00 57.72 57.29 3kl9 n HIS 320 Cb 0.10 -0.56 -0.11 0.00 1.12 0.00 0.00 29.99 30.54 3kl9 n HIS 320 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kl9 s GLN 321 N -3.08 1.66 -0.16 -0.41 -1.52 -1.26 -3.71 119.66 111.19 3kl9 s GLN 321 Ca 0.10 -2.71 -0.11 0.00 -1.95 0.00 0.00 55.36 50.69 3kl9 s GLN 321 Cb 0.15 -2.39 -0.05 0.00 -0.22 0.00 0.00 33.01 30.51 3kl9 s GLN 321 CO 0.66 -1.34 0.21 0.99 -0.25 0.00 0.00 175.29 175.56 3kl9 s THR 322 N -0.67 5.36 -0.08 -0.19 2.01 0.97 -4.68 115.64 118.35 3kl9 s THR 322 Ca 0.29 0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.69 3kl9 s THR 322 Cb -0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 3kl9 s THR 322 CO -0.18 0.45 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.81 3kl9 s LEU 323 N 0.12 2.53 0.16 4.42 0.20 -0.65 -1.20 118.68 124.26 3kl9 s LEU 323 Ca 0.13 -0.34 -0.23 0.00 0.69 0.00 0.00 54.13 54.39 3kl9 s LEU 323 Cb -0.12 -1.52 0.07 0.00 -0.43 0.00 0.00 46.19 44.19 3kl9 s LEU 323 CO 0.02 0.25 0.61 -0.72 -0.29 0.00 0.00 176.35 176.22 3kl9 s TYR 324 N -0.17 -0.52 -0.06 5.38 -0.85 -0.84 -0.77 117.35 119.52 3kl9 s TYR 324 Ca -0.01 0.31 -0.12 0.00 -0.52 0.00 0.00 57.07 56.72 3kl9 s TYR 324 Cb -0.14 0.56 -0.05 0.00 0.38 0.00 0.00 41.96 42.72 3kl9 s TYR 324 CO 0.03 -0.86 0.31 0.00 -1.52 0.00 0.00 175.55 173.52 3kl9 s ALA 325 N -3.74 3.74 0.27 9.51 0.00 -1.26 -1.06 121.76 129.22 3kl9 s ALA 325 Ca 0.01 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 51.66 3kl9 s ALA 325 Cb -0.01 -2.26 0.35 0.00 0.00 0.00 0.00 23.12 21.20 3kl9 s ALA 325 CO -0.12 0.48 1.63 0.52 0.00 0.00 0.00 175.76 178.26 3kl9 h MET 326 N 5.03 0.21 -0.77 0.00 2.86 -1.83 -3.17 114.93 117.26 3kl9 h MET 326 Ca -0.51 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.03 3kl9 h MET 326 Cb 1.22 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.84 3kl9 h MET 326 CO 0.62 0.68 0.49 0.22 1.06 0.00 0.00 176.91 179.98 3kl9 h ASP 327 N 0.16 0.81 -0.65 1.22 3.58 -1.94 -1.82 116.42 117.79 3kl9 h ASP 327 Ca 0.00 -0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 3kl9 h ASP 327 Cb 0.98 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.78 3kl9 h ASP 327 CO 0.08 0.56 0.29 0.44 -2.88 0.00 0.00 179.24 177.73 3kl9 h ASP 328 N 0.96 0.35 0.17 2.28 3.32 -1.89 -0.72 116.42 120.89 3kl9 h ASP 328 Ca 0.31 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3kl9 h ASP 328 Cb 0.00 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3kl9 h ASP 328 CO -0.11 0.21 -0.16 0.15 -1.72 0.00 0.00 179.24 177.61 3kl9 h PHE 329 N 0.51 -0.41 -0.79 4.55 3.57 -1.39 -0.53 116.94 122.45 3kl9 h PHE 329 Ca 0.32 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.91 3kl9 h PHE 329 Cb 0.35 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 3kl9 h PHE 329 CO -0.13 -0.24 0.44 -0.07 -2.23 0.00 0.00 178.31 176.08 3kl9 h LEU 330 N -0.36 0.63 -0.06 0.59 3.38 -0.91 0.15 115.31 118.74 3kl9 h LEU 330 Ca -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kl9 h LEU 330 Cb 0.33 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kl9 h LEU 330 CO -0.03 0.37 0.01 -0.33 0.09 0.00 0.00 178.44 178.55 3kl9 h GLU 331 N 0.75 0.09 -0.86 1.13 4.39 -1.00 -1.82 114.58 117.26 3kl9 h GLU 331 Ca 0.38 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.07 3kl9 h GLU 331 Cb 0.33 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 3kl9 h GLU 331 CO -0.24 0.28 0.57 0.00 -1.16 0.00 0.00 179.01 178.46 3kl9 h ALA 332 N 0.80 1.40 -0.14 3.43 0.00 -0.56 -1.47 119.26 122.72 3kl9 h ALA 332 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kl9 h ALA 332 Cb 0.23 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kl9 h ALA 332 CO -0.00 0.55 -0.08 0.37 0.00 0.00 0.00 179.25 180.09 3kl9 h GLN 333 N 1.15 0.29 -0.96 0.00 5.75 -0.68 0.00 115.11 120.68 3kl9 h GLN 333 Ca 0.32 -0.13 0.10 0.00 -0.15 0.00 0.00 58.65 58.78 3kl9 h GLN 333 Cb -0.11 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.36 3kl9 h GLN 333 CO -0.07 0.64 0.61 0.00 -2.65 0.00 0.00 178.83 177.36 3kl9 h ALA 334 N 0.65 1.55 -0.23 3.38 0.00 -1.10 -0.09 119.26 123.42 3kl9 h ALA 334 Ca 0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3kl9 h ALA 334 Cb 0.55 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kl9 h ALA 334 CO 0.02 0.26 -0.28 0.35 0.00 0.00 0.00 179.25 179.60 3kl9 h PHE 335 N 0.99 0.72 -0.53 0.00 -0.00 -1.05 -1.65 116.94 115.41 3kl9 h PHE 335 Ca 0.45 -0.23 -0.01 0.00 -0.00 0.00 0.00 57.97 58.18 3kl9 h PHE 335 Cb 0.38 -0.15 -0.03 0.00 -0.00 0.00 0.00 35.95 36.16 3kl9 h PHE 335 CO -0.00 0.95 0.31 1.25 -0.00 0.00 0.00 178.31 180.81 3kl9 h LEU 336 N 0.28 0.64 0.77 0.59 6.46 -0.22 -0.38 115.31 123.45 3kl9 h LEU 336 Ca 0.03 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 3kl9 h LEU 336 Cb 0.85 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 3kl9 h LEU 336 CO 0.07 0.52 -0.41 1.56 -0.62 0.00 0.00 178.44 179.56 3kl9 h GLN 337 N 0.71 -1.04 -0.95 1.25 4.20 -0.99 -2.16 115.11 116.13 3kl9 h GLN 337 Ca 0.19 0.07 0.12 0.00 0.06 0.00 0.00 58.65 59.09 3kl9 h GLN 337 Cb 0.01 0.24 -0.08 0.00 0.30 0.00 0.00 27.48 27.95 3kl9 h GLN 337 CO -0.03 -0.70 0.60 0.00 -0.67 0.00 0.00 178.83 178.03 3kl9 h ALA 338 N -0.88 1.64 -0.06 3.87 0.00 -1.15 -0.35 119.26 122.33 3kl9 h ALA 338 Ca -0.10 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kl9 h ALA 338 Cb 0.85 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kl9 h ALA 338 CO 0.14 0.12 0.02 -0.07 0.00 0.00 0.00 179.25 179.47 3kl9 h LEU 339 N 0.88 0.08 -0.40 0.00 3.38 -0.92 -1.70 115.31 116.63 3kl9 h LEU 339 Ca 0.47 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 58.06 3kl9 h LEU 339 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3kl9 h LEU 339 CO -0.23 0.25 -0.76 -0.37 0.09 0.00 0.00 178.44 177.42 3kl9 h VAL 340 N -0.09 1.40 0.00 1.22 -1.51 -0.95 -1.18 116.25 115.15 3kl9 h VAL 340 Ca 0.02 -2.24 -0.02 0.00 -1.23 0.00 0.00 66.70 63.23 3kl9 h VAL 340 Cb 0.20 2.19 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 3kl9 h VAL 340 CO -0.00 0.67 -0.11 0.11 -1.23 0.00 0.00 177.57 177.01 3kl9 h LYS 341 N 0.22 0.00 -0.01 5.19 1.57 -1.09 -2.79 116.57 119.66 3kl9 h LYS 341 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kl9 h LYS 341 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 3kl9 h LYS 341 CO 0.12 0.11 -0.51 1.17 -0.57 0.00 0.00 179.45 179.77 3kl9 n LYS 342 N -3.99 1.06 -2.81 3.15 4.81 -0.64 -4.78 118.16 114.96 3kl9 n LYS 342 Ca -0.02 -0.86 -0.42 0.00 -0.87 0.00 0.00 58.31 56.13 3kl9 n LYS 342 Cb 0.19 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 33.73 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 -2.53 4.02 0.00 3.14 1.43 -0.48 -4.80 118.68 119.46 3kl9 s LEU 343 Ca 0.18 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 3kl9 s LEU 343 Cb 0.18 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.12 3kl9 s LEU 343 CO 0.60 -0.77 0.27 -0.90 0.23 0.00 0.00 176.35 175.78 3kl9 n ASP 344 N 6.57 -0.73 -0.15 2.29 3.85 -1.26 -3.29 116.55 123.83 3kl9 n ASP 344 Ca 0.07 -2.52 -0.04 0.00 -0.71 0.00 0.00 54.79 51.59 3kl9 n ASP 344 Cb 0.48 1.51 0.03 0.00 -1.35 0.00 0.00 41.12 41.79 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 -0.02 0.57 0.11 9.65 -1.83 -0.72 114.38 122.14 3kl9 h ARG 345 Ca -0.18 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.67 3kl9 h ARG 345 Cb 0.88 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 3kl9 h ARG 345 CO 0.26 -0.01 -0.31 0.77 2.80 0.00 0.00 179.97 183.48 3kl9 h SER 346 N -0.02 -0.75 -0.81 -3.80 0.02 -1.95 -1.61 113.55 104.62 3kl9 h SER 346 Ca 0.23 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 3kl9 h SER 346 Cb 0.37 0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 3kl9 h SER 346 CO -0.50 -0.50 0.39 0.71 -1.14 0.00 0.00 176.83 175.79 3kl9 h THR 347 N -0.82 1.25 -0.30 -2.27 1.35 -1.81 -1.17 112.91 109.16 3kl9 h THR 347 Ca -0.07 -0.71 -0.09 0.00 -0.55 0.00 0.00 66.41 64.98 3kl9 h THR 347 Cb 0.64 0.23 -0.02 0.00 -1.73 0.00 0.00 68.15 67.28 3kl9 h THR 347 CO 0.10 0.30 -0.18 -0.37 -0.25 0.00 0.00 175.52 175.12 3kl9 h VAL 348 N 1.15 1.25 -0.03 6.82 -1.51 -1.11 -0.33 116.25 122.49 3kl9 h VAL 348 Ca 0.28 -1.17 -0.08 0.00 -1.23 0.00 0.00 66.70 64.50 3kl9 h VAL 348 Cb 0.12 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 3kl9 h VAL 348 CO -0.03 0.38 -0.37 0.44 -1.23 0.00 0.00 177.57 176.75 3kl9 h ASP 349 N 0.48 0.05 -0.15 4.19 3.32 -0.84 -0.18 116.42 123.31 3kl9 h ASP 349 Ca 0.08 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 3kl9 h ASP 349 Cb 0.60 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3kl9 h ASP 349 CO 0.04 0.42 -0.32 0.25 -1.72 0.00 0.00 179.24 177.92 3kl9 h LEU 350 N 0.05 0.54 -1.05 1.55 6.46 -0.70 -1.27 115.31 120.88 3kl9 h LEU 350 Ca 0.00 -0.56 0.09 0.00 -0.12 0.00 0.00 57.88 57.29 3kl9 h LEU 350 Cb 0.68 -0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 40.39 3kl9 h LEU 350 CO 0.05 1.00 0.63 0.40 -0.62 0.00 0.00 178.44 179.90 3kl9 h ILE 351 N 0.09 1.02 -0.67 4.05 2.04 -0.83 -2.25 117.51 120.97 3kl9 h ILE 351 Ca 0.00 -0.37 -0.17 0.00 1.00 0.00 0.00 64.86 65.32 3kl9 h ILE 351 Cb 0.92 -0.15 -0.10 0.00 -0.74 0.00 0.00 36.82 36.75 3kl9 h ILE 351 CO 0.07 0.20 0.22 0.29 0.00 0.00 0.00 178.15 178.92 3kl9 n LYS 352 N -4.54 3.73 -2.43 2.37 5.02 -0.10 -4.34 118.16 117.87 3kl9 n LYS 352 Ca 0.16 -2.86 -0.41 0.00 -2.02 0.00 0.00 58.31 53.19 3kl9 n LYS 352 Cb 0.26 -2.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.07 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 -2.77 2.23 -0.78 2.13 2.46 -0.50 -4.96 115.29 113.10 3kl9 s HIS 353 Ca 0.51 0.28 0.06 0.00 0.47 0.00 0.00 55.06 56.38 3kl9 s HIS 353 Cb 0.40 -4.47 0.05 0.00 -0.13 0.00 0.00 32.58 28.43 3kl9 s HIS 353 CO 0.13 -2.02 0.70 0.66 -2.47 0.00 0.00 174.74 171.73