#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl9 h LEU 4 N 0.00 -0.25 -0.70 -4.42 6.46 -2.04 -0.50 115.31 113.85 3kl9 h LEU 4 Ca 0.00 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 3kl9 h LEU 4 Cb 0.00 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 3kl9 h LEU 4 CO 0.00 -0.10 0.46 0.15 -0.62 0.00 0.00 178.44 178.33 3kl9 h PHE 5 N -0.04 0.87 -0.67 1.25 3.04 -2.02 -0.17 116.94 119.21 3kl9 h PHE 5 Ca 0.10 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3kl9 h PHE 5 Cb 0.19 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 3kl9 h PHE 5 CO -0.23 0.54 0.43 0.77 -2.02 0.00 0.00 178.31 177.80 3kl9 h SER 6 N 0.93 0.79 -0.66 0.41 0.02 -1.93 0.56 113.55 113.67 3kl9 h SER 6 Ca 0.26 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3kl9 h SER 6 Cb -0.09 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 3kl9 h SER 6 CO -0.07 0.59 0.35 0.11 -1.14 0.00 0.00 176.83 176.67 3kl9 h LYS 7 N 0.91 0.93 -0.44 3.45 1.57 -0.64 -2.02 116.57 120.34 3kl9 h LYS 7 Ca 0.24 -0.12 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 3kl9 h LYS 7 Cb -0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3kl9 h LYS 7 CO -0.05 0.71 -0.30 0.82 -0.57 0.00 0.00 179.45 180.06 3kl9 h ILE 8 N 0.90 1.27 -0.85 1.86 2.04 -0.38 -2.85 117.51 119.50 3kl9 h ILE 8 Ca 0.23 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 3kl9 h ILE 8 Cb 0.06 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3kl9 h ILE 8 CO -0.04 0.50 0.47 0.50 0.00 0.00 0.00 178.15 179.58 3kl9 h LYS 9 N 0.82 1.19 0.29 2.37 3.64 0.24 -2.00 116.57 123.10 3kl9 h LYS 9 Ca 0.09 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3kl9 h LYS 9 Cb 0.89 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3kl9 h LYS 9 CO 0.08 0.87 -0.14 1.49 -2.27 0.00 0.00 179.45 179.48 3kl9 h GLU 10 N 1.19 -0.37 -0.43 1.90 4.81 -1.26 -2.58 114.58 117.82 3kl9 h GLU 10 Ca 0.30 0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 3kl9 h GLU 10 Cb 0.03 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3kl9 h GLU 10 CO -0.05 -0.23 -0.26 -0.39 -0.73 0.00 0.00 179.01 177.34 3kl9 h VAL 11 N -0.41 1.27 0.00 0.32 -1.51 -1.39 -2.99 116.25 111.54 3kl9 h VAL 11 Ca -0.04 -1.42 -0.07 0.00 -1.23 0.00 0.00 66.70 63.93 3kl9 h VAL 11 Cb 0.31 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 3kl9 h VAL 11 CO 0.07 0.48 -0.34 0.71 -1.23 0.00 0.00 177.57 177.26 3kl9 h THR 12 N 0.79 0.70 -0.01 7.19 1.35 -1.41 -3.05 112.91 118.48 3kl9 h THR 12 Ca 0.09 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 3kl9 h THR 12 Cb 0.83 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3kl9 h THR 12 CO 0.07 0.33 -0.24 -0.62 -0.25 0.00 0.00 175.52 174.81 3kl9 n GLU 13 N -3.36 0.79 -2.20 4.72 1.02 -0.97 -4.70 120.64 115.92 3kl9 n GLU 13 Ca 0.01 -0.44 -0.39 0.00 -0.02 0.00 0.00 57.16 56.32 3kl9 n GLU 13 Cb 0.54 -1.49 -0.01 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 -2.51 4.21 -0.28 -4.62 1.43 -1.14 -5.02 118.68 110.76 3kl9 s LEU 14 Ca 0.25 2.47 -0.05 0.00 -1.03 0.00 0.00 54.13 55.77 3kl9 s LEU 14 Cb 0.19 -3.96 0.02 0.00 0.03 0.00 0.00 46.19 42.47 3kl9 s LEU 14 CO 0.52 -0.73 0.03 0.00 0.23 0.00 0.00 176.35 176.40 3kl9 s ALA 15 N -1.34 2.92 -0.29 4.21 0.00 -1.26 -5.04 121.76 120.95 3kl9 s ALA 15 Ca 0.56 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3kl9 s ALA 15 Cb -0.34 -1.98 0.19 0.00 0.00 0.00 0.00 23.12 21.00 3kl9 s ALA 15 CO 0.43 -0.94 0.58 0.00 0.00 0.00 0.00 175.76 175.82 3kl9 s ALA 16 N 1.41 -2.25 0.80 0.00 0.00 -1.26 -4.73 121.76 115.74 3kl9 s ALA 16 Ca 0.01 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 3kl9 s ALA 16 Cb -0.17 -2.38 0.07 0.00 0.00 0.00 0.00 23.12 20.64 3kl9 s ALA 16 CO -0.00 -1.66 1.15 0.08 0.00 0.00 0.00 175.76 175.32 3kl9 s VAL 17 N 2.81 2.43 0.42 0.00 1.01 -1.26 -1.19 120.40 124.62 3kl9 s VAL 17 Ca 0.13 0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 3kl9 s VAL 17 Cb -0.12 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 3kl9 s VAL 17 CO -0.25 -0.18 1.24 -1.20 0.00 0.00 0.00 175.10 174.72 3kl9 n SER 18 N -3.33 2.41 0.00 3.32 7.64 -1.24 -1.72 113.62 120.70 3kl9 n SER 18 Ca 0.07 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3kl9 n SER 18 Cb 0.59 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 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 0.85 1.31 2.66 0.23 0.00 -1.26 -4.84 105.19 104.14 3kl9 n GLY 19 Ca 0.07 0.00 -0.08 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 1.53 -0.98 1.61 -0.00 -0.70 -4.93 115.22 109.76 3kl9 n HIS 20 Ca 0.00 -2.51 0.05 0.00 -0.00 0.00 0.00 57.72 55.26 3kl9 n HIS 20 Cb 0.00 -0.29 0.34 0.00 -0.00 0.00 0.00 29.99 30.04 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 -0.37 4.04 -0.27 -0.41 0.00 -1.25 -4.19 120.64 118.18 3kl9 n GLU 21 Ca 0.14 -3.07 0.02 0.00 0.00 0.00 0.00 57.16 54.25 3kl9 n GLU 21 Cb 0.81 -2.13 0.09 0.00 0.00 0.00 0.00 31.44 30.21 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 3.04 0.47 0.00 -1.84 0.00 -1.93 -1.44 119.26 117.55 3kl9 h ALA 22 Ca 0.06 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3kl9 h ALA 22 Cb 1.89 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 20.30 3kl9 h ALA 22 CO 0.46 -0.43 -0.06 -1.35 0.00 0.00 0.00 179.25 177.88 3kl9 h PRO 23 N -0.01 0.00 0.11 0.00 0.11 -1.85 0.35 132.00 130.72 3kl9 h PRO 23 Ca 0.37 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.15 3kl9 h PRO 23 Cb 0.57 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3kl9 h PRO 23 CO -0.80 0.06 -1.68 0.28 -0.21 0.00 0.00 178.00 175.65 3kl9 h VAL 24 N 0.00 0.98 -0.44 3.15 2.07 -1.69 -3.07 116.25 117.25 3kl9 h VAL 24 Ca -0.00 -2.65 0.03 0.00 0.82 0.00 0.00 66.70 64.89 3kl9 h VAL 24 Cb 0.14 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 3kl9 h VAL 24 CO 0.01 0.80 0.24 -0.09 0.02 0.00 0.00 177.57 178.55 3kl9 h ARG 25 N 0.07 0.47 -0.12 1.57 2.43 -0.64 -0.89 114.38 117.26 3kl9 h ARG 25 Ca -0.30 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.79 3kl9 h ARG 25 Cb 2.03 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.46 3kl9 h ARG 25 CO 0.14 0.31 -0.16 0.00 -1.51 0.00 0.00 179.97 178.75 3kl9 h ALA 26 N 1.22 1.51 -0.03 2.80 0.00 -1.06 0.42 119.26 124.13 3kl9 h ALA 26 Ca 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kl9 h ALA 26 Cb 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kl9 h ALA 26 CO -0.11 0.35 0.01 -0.92 0.00 0.00 0.00 179.25 178.58 3kl9 h TYR 27 N 0.19 0.04 0.00 0.00 5.03 -1.35 -2.69 116.97 118.18 3kl9 h TYR 27 Ca 0.04 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.24 3kl9 h TYR 27 Cb 0.39 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 3kl9 h TYR 27 CO 0.00 0.24 -0.50 -0.07 -1.32 0.00 0.00 178.16 176.52 3kl9 h LEU 28 N -0.17 0.00 -0.12 2.82 3.38 -0.43 -2.29 115.31 118.50 3kl9 h LEU 28 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kl9 h LEU 28 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kl9 h LEU 28 CO -0.00 0.50 0.07 -0.09 0.09 0.00 0.00 178.44 179.01 3kl9 h ARG 29 N 0.00 0.16 -0.05 1.13 2.43 -0.23 0.10 114.38 117.91 3kl9 h ARG 29 Ca -0.00 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3kl9 h ARG 29 Cb 0.94 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3kl9 h ARG 29 CO 0.06 0.12 0.03 1.49 -1.51 0.00 0.00 179.97 180.17 3kl9 h GLU 30 N 0.14 0.04 0.00 0.20 4.22 -1.20 -2.35 114.58 115.63 3kl9 h GLU 30 Ca 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 3kl9 h GLU 30 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kl9 h GLU 30 CO -0.01 0.03 -1.50 1.63 -2.18 0.00 0.00 179.01 176.98 3kl9 n LYS 31 N -4.53 0.76 0.02 1.92 5.02 -0.89 -4.44 118.16 116.03 3kl9 n LYS 31 Ca -0.02 -0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 55.99 3kl9 n LYS 31 Cb 0.11 -1.40 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 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 0.30 -0.67 -0.35 4.07 -0.76 -3.42 115.31 114.49 3kl9 h LEU 32 Ca 0.00 -0.56 0.02 0.00 0.08 0.00 0.00 57.88 57.42 3kl9 h LEU 32 Cb 0.69 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.30 3kl9 h LEU 32 CO 0.00 1.49 0.43 0.74 -1.08 0.00 0.00 178.44 180.02 3kl9 h THR 33 N 0.05 1.13 0.00 0.22 2.02 -1.63 -2.02 112.91 112.67 3kl9 h THR 33 Ca -0.33 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3kl9 h THR 33 Cb 2.02 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 3kl9 h THR 33 CO 0.11 0.16 0.00 -2.65 0.37 0.00 0.00 175.52 173.51 3kl9 n PRO 34 N -4.66 0.06 -0.03 6.66 -0.02 -1.26 -3.57 135.00 132.17 3kl9 n PRO 34 Ca 0.06 0.37 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 3kl9 n PRO 34 Cb 0.05 -1.62 0.04 0.00 -0.02 0.00 0.00 33.50 31.95 3kl9 n PRO 34 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kl9 n HIS 35 N -1.73 0.00 -3.84 6.00 8.25 -0.77 -5.04 115.22 118.09 3kl9 n HIS 35 Ca 0.02 -0.62 -0.12 0.00 -0.26 0.00 0.00 57.72 56.74 3kl9 n HIS 35 Cb 0.14 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.51 0.07 0.16 1.59 1.01 -1.18 -4.69 120.40 115.85 3kl9 s VAL 36 Ca 0.10 -0.58 0.12 0.00 0.00 0.00 0.00 61.98 61.63 3kl9 s VAL 36 Cb 0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 3kl9 s VAL 36 CO 0.01 -0.32 1.55 0.44 0.00 0.00 0.00 175.10 176.78 3kl9 h ASP 37 N 4.30 0.00 -3.43 3.32 3.32 -1.63 -3.47 116.42 118.83 3kl9 h ASP 37 Ca -0.30 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.67 3kl9 h ASP 37 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 3kl9 h ASP 37 CO 0.40 0.63 -0.18 -0.70 -1.72 0.00 0.00 179.24 177.67 3kl9 s GLU 38 N -3.33 0.52 -0.23 3.56 2.12 -1.11 -5.00 118.70 115.23 3kl9 s GLU 38 Ca 0.00 0.84 -0.04 0.00 0.36 0.00 0.00 54.97 56.13 3kl9 s GLU 38 Cb 0.11 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.61 3kl9 s GLU 38 CO 0.75 -0.12 -0.02 0.08 -0.54 0.00 0.00 175.26 175.41 3kl9 s VAL 39 N 1.03 3.48 0.32 3.70 1.01 -1.26 0.18 120.40 128.87 3kl9 s VAL 39 Ca -0.06 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3kl9 s VAL 39 Cb -0.06 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 3kl9 s VAL 39 CO -0.09 0.37 0.02 0.68 0.00 0.00 0.00 175.10 176.07 3kl9 s VAL 40 N 1.48 1.45 0.00 2.92 -7.23 0.15 -4.97 120.40 114.19 3kl9 s VAL 40 Ca 0.05 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3kl9 s VAL 40 Cb -0.15 -2.73 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 3kl9 s VAL 40 CO -0.02 -0.09 -0.02 0.28 -0.31 0.00 0.00 175.10 174.94 3kl9 s THR 41 N -3.12 0.11 0.72 5.32 -1.32 -1.26 -0.95 115.64 115.13 3kl9 s THR 41 Ca 0.34 -0.13 -0.08 0.00 -1.21 0.00 0.00 61.69 60.62 3kl9 s THR 41 Cb 0.08 -0.11 0.16 0.00 -1.51 0.00 0.00 72.50 71.11 3kl9 s THR 41 CO 0.15 -0.01 0.98 -0.90 -2.21 0.00 0.00 174.62 172.62 3kl9 n ASP 42 N 2.92 0.55 0.15 8.08 5.75 -0.56 -4.97 116.55 128.46 3kl9 n ASP 42 Ca -0.13 -1.64 0.12 0.00 -0.01 0.00 0.00 54.79 53.13 3kl9 n ASP 42 Cb 0.59 -0.70 0.52 0.00 -1.03 0.00 0.00 41.12 40.49 3kl9 n ASP 42 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3kl9 h GLY 43 N -1.02 0.00 -0.12 6.12 0.00 -1.91 -3.12 103.07 103.02 3kl9 h GLY 43 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3kl9 h GLY 43 CO 0.27 0.00 -0.37 1.04 0.00 0.00 0.00 176.54 177.48 3kl9 n LEU 44 N -2.33 0.65 0.00 3.11 4.32 -1.26 -5.01 117.00 116.48 3kl9 n LEU 44 Ca 0.02 -0.57 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 3kl9 n LEU 44 Cb 0.24 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 3kl9 n LEU 44 CO 0.20 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 3kl9 n GLY 45 N 1.13 1.33 3.72 -0.72 0.00 -1.18 -4.94 105.19 104.52 3kl9 n GLY 45 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3kl9 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 46 N -1.87 2.29 -0.05 -0.02 0.00 -1.26 -4.82 107.32 101.58 3kl9 s GLY 46 Ca 0.00 0.97 -0.08 0.00 0.00 0.00 0.00 44.72 45.61 3kl9 s GLY 46 CO 0.00 2.13 0.23 -0.26 0.00 0.00 0.00 173.10 175.20 3kl9 s ILE 47 N 0.91 5.35 -0.08 0.90 -5.25 -1.18 -1.50 121.20 120.34 3kl9 s ILE 47 Ca 0.60 0.28 -0.05 0.00 -0.99 0.00 0.00 60.65 60.49 3kl9 s ILE 47 Cb -0.33 -3.52 0.04 0.00 2.95 0.00 0.00 42.46 41.60 3kl9 s ILE 47 CO 0.31 0.50 0.20 -0.36 -1.79 0.00 0.00 174.94 173.80 3kl9 s PHE 48 N -1.15 -0.25 0.08 1.37 0.40 -0.12 -1.76 117.98 116.54 3kl9 s PHE 48 Ca 0.22 0.62 -0.23 0.00 -0.60 0.00 0.00 56.93 56.94 3kl9 s PHE 48 Cb -0.13 0.01 -0.06 0.00 0.51 0.00 0.00 43.02 43.35 3kl9 s PHE 48 CO 0.11 -0.18 0.71 0.20 0.70 0.00 0.00 175.22 176.75 3kl9 s GLY 49 N 0.94 2.78 -0.22 4.36 0.00 0.10 -0.68 107.32 114.61 3kl9 s GLY 49 Ca -0.07 0.22 -0.08 0.00 0.00 0.00 0.00 44.72 44.80 3kl9 s GLY 49 CO -0.06 0.86 0.08 -0.42 0.00 0.00 0.00 173.10 173.56 3kl9 s ILE 50 N -0.61 4.67 -0.37 0.90 1.01 0.13 -0.40 121.20 126.53 3kl9 s ILE 50 Ca 0.35 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 3kl9 s ILE 50 Cb -0.21 -3.14 0.07 0.00 0.01 0.00 0.00 42.46 39.19 3kl9 s ILE 50 CO 0.22 0.40 0.15 -0.75 0.00 0.00 0.00 174.94 174.96 3kl9 s LYS 51 N 0.94 2.40 0.70 2.79 2.20 0.68 -1.62 119.74 127.84 3kl9 s LYS 51 Ca 0.04 -1.45 -0.15 0.00 -0.36 0.00 0.00 55.97 54.05 3kl9 s LYS 51 Cb -0.14 -3.52 0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3kl9 s LYS 51 CO 0.03 -0.85 1.15 -1.01 -0.36 0.00 0.00 175.35 174.32 3kl9 s HIS 52 N 1.30 2.32 0.07 4.03 3.76 -1.26 -2.12 115.29 123.38 3kl9 s HIS 52 Ca 0.02 1.59 0.07 0.00 -0.15 0.00 0.00 55.06 56.58 3kl9 s HIS 52 Cb -0.21 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.13 3kl9 s HIS 52 CO -0.00 -2.15 -0.14 0.45 -0.85 0.00 0.00 174.74 172.04 3kl9 s SER 53 N -2.35 4.08 0.27 1.40 0.15 -1.26 -4.71 113.70 111.28 3kl9 s SER 53 Ca 0.70 -0.40 0.18 0.00 0.70 0.00 0.00 55.95 57.13 3kl9 s SER 53 Cb -0.24 -0.72 0.09 0.00 -1.71 0.00 0.00 66.02 63.43 3kl9 s SER 53 CO 0.44 0.23 1.33 -0.33 1.20 0.00 0.00 173.24 176.10 3kl9 h GLU 54 N 4.15 0.00 -6.94 5.44 5.08 -1.94 -3.48 114.58 116.89 3kl9 h GLU 54 Ca -0.48 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.31 3kl9 h GLU 54 Cb 1.16 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.56 3kl9 h GLU 54 CO 0.49 0.28 0.39 0.00 -1.00 0.00 0.00 179.01 179.17 3kl9 n ALA 55 N -2.22 0.91 0.04 3.43 0.00 -1.26 -4.96 120.51 116.45 3kl9 n ALA 55 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 3kl9 n ALA 55 Cb 0.68 -2.24 -0.01 0.00 0.00 0.00 0.00 19.45 17.87 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 0.97 0.00 -0.72 0.00 2.07 -1.94 -3.24 116.25 113.39 3kl9 h VAL 56 Ca -0.49 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 66.70 3kl9 h VAL 56 Cb 1.33 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 30.91 3kl9 h VAL 56 CO 0.54 0.00 0.33 -0.67 0.02 0.00 0.00 177.57 177.79 3kl9 n ASP 57 N -2.66 3.63 -4.50 0.57 2.03 -1.26 -5.01 116.55 109.36 3kl9 n ASP 57 Ca -0.02 -3.54 -0.55 0.00 0.52 0.00 0.00 54.79 51.20 3kl9 n ASP 57 Cb 0.06 -0.75 -0.08 0.00 -0.72 0.00 0.00 41.12 39.63 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 -0.89 0.42 -1.77 -1.67 0.00 -1.23 -4.78 120.51 110.60 3kl9 n ALA 58 Ca 0.46 0.16 -0.39 0.00 0.00 0.00 0.00 53.44 53.67 3kl9 n ALA 58 Cb 1.39 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 5.22 4.18 0.04 0.00 0.04 -1.26 -4.39 135.00 138.83 3kl9 s PRO 59 Ca 1.08 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 63.75 3kl9 s PRO 59 Cb -1.08 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.59 3kl9 s PRO 59 CO 0.59 -0.24 1.12 1.03 0.04 0.00 0.00 177.00 179.55 3kl9 s ARG 60 N -2.08 4.47 -0.14 4.56 0.52 -1.26 -1.40 118.95 123.61 3kl9 s ARG 60 Ca 0.54 1.64 0.01 0.00 -0.52 0.00 0.00 55.73 57.40 3kl9 s ARG 60 Cb -0.33 -3.39 0.02 0.00 0.52 0.00 0.00 34.95 31.77 3kl9 s ARG 60 CO 0.42 -0.19 -0.15 0.08 0.02 0.00 0.00 175.30 175.48 3kl9 s VAL 61 N 1.08 1.60 -0.23 3.52 1.01 -0.28 -0.44 120.40 126.66 3kl9 s VAL 61 Ca 0.56 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 3kl9 s VAL 61 Cb -0.26 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3kl9 s VAL 61 CO 0.28 0.46 0.12 -0.22 0.00 0.00 0.00 175.10 175.75 3kl9 s LEU 62 N 1.36 3.86 -0.18 3.92 2.96 -1.06 -0.70 118.68 128.84 3kl9 s LEU 62 Ca 0.02 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3kl9 s LEU 62 Cb -0.13 -2.03 -0.00 0.00 0.50 0.00 0.00 46.19 44.53 3kl9 s LEU 62 CO -0.09 0.05 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.20 3kl9 s VAL 63 N 1.11 2.94 -0.08 1.68 1.01 0.55 -0.64 120.40 126.98 3kl9 s VAL 63 Ca 0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3kl9 s VAL 63 Cb -0.14 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 33.99 3kl9 s VAL 63 CO 0.04 0.48 0.18 0.00 0.00 0.00 0.00 175.10 175.80 3kl9 s ALA 64 N 1.11 -0.36 0.07 5.51 0.00 0.01 -1.68 121.76 126.42 3kl9 s ALA 64 Ca 0.01 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.74 3kl9 s ALA 64 Cb -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.47 3kl9 s ALA 64 CO -0.03 -0.17 0.00 -1.13 0.00 0.00 0.00 175.76 174.43 3kl9 n SER 65 N 4.17 0.00 -4.11 0.00 3.41 -0.94 -0.23 113.62 115.92 3kl9 n SER 65 Ca -0.26 -0.11 -0.16 0.00 -0.26 0.00 0.00 58.87 58.08 3kl9 n SER 65 Cb 0.52 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.75 0.97 -0.13 7.33 -3.43 -1.26 0.57 115.29 121.10 3kl9 s HIS 66 Ca 0.00 -0.44 0.16 0.00 -0.80 0.00 0.00 55.06 53.98 3kl9 s HIS 66 Cb 0.00 -0.56 -0.07 0.00 -1.43 0.00 0.00 32.58 30.51 3kl9 s HIS 66 CO 0.00 -0.00 1.04 0.52 -2.00 0.00 0.00 174.74 174.29 3kl9 h MET 67 N 4.55 0.00 -7.09 -0.38 2.86 -1.28 -3.42 114.93 110.18 3kl9 h MET 67 Ca -0.38 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 56.79 3kl9 h MET 67 Cb 1.19 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.86 3kl9 h MET 67 CO 0.41 0.37 0.31 0.16 1.06 0.00 0.00 176.91 179.22 3kl9 s ASP 68 N -6.02 6.64 0.40 1.22 -4.77 -1.26 -4.86 116.67 108.01 3kl9 s ASP 68 Ca -0.01 1.48 0.07 0.00 -3.30 0.00 0.00 52.55 50.79 3kl9 s ASP 68 Cb 0.08 -2.47 -0.08 0.00 -1.09 0.00 0.00 42.92 39.37 3kl9 s ASP 68 CO 0.79 -0.51 0.00 -1.83 0.70 0.00 0.00 175.17 174.32 3kl9 s GLU 69 N -3.90 1.93 0.55 2.11 -1.05 -0.34 -4.05 118.70 113.94 3kl9 s GLU 69 Ca 0.57 -2.08 -0.17 0.00 -0.15 0.00 0.00 54.97 53.14 3kl9 s GLU 69 Cb -0.10 -1.60 -0.06 0.00 -0.44 0.00 0.00 34.13 31.93 3kl9 s GLU 69 CO 0.29 -0.04 1.03 0.14 0.95 0.00 0.00 175.26 177.64 3kl9 s VAL 70 N -2.74 3.98 0.00 1.83 -7.23 -1.26 -3.64 120.40 111.35 3kl9 s VAL 70 Ca 0.35 1.01 0.00 0.00 -1.81 0.00 0.00 61.98 61.53 3kl9 s VAL 70 Cb 0.09 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.55 3kl9 s VAL 70 CO 0.18 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 3kl9 n GLY 71 N -0.95 1.46 3.37 2.32 0.00 -0.38 -4.59 105.19 106.41 3kl9 n GLY 71 Ca 0.08 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.69 1.66 -0.13 1.61 0.40 -0.48 -0.31 117.98 119.03 3kl9 s PHE 72 Ca 0.00 -1.34 -0.13 0.00 -0.60 0.00 0.00 56.93 54.87 3kl9 s PHE 72 Cb 0.00 -0.93 0.03 0.00 0.51 0.00 0.00 43.02 42.63 3kl9 s PHE 72 CO 0.00 -0.46 0.36 1.41 0.70 0.00 0.00 175.22 177.23 3kl9 s MET 73 N -3.79 0.42 -0.10 0.44 1.75 -0.73 -0.33 119.30 116.95 3kl9 s MET 73 Ca 0.34 0.49 -0.29 0.00 -1.25 0.00 0.00 55.69 54.98 3kl9 s MET 73 Cb 0.05 0.21 -0.04 0.00 2.84 0.00 0.00 34.83 37.88 3kl9 s MET 73 CO 0.17 -0.05 1.61 0.08 -0.65 0.00 0.00 175.02 176.18 3kl9 s VAL 74 N 0.17 3.68 -0.05 10.11 1.01 -0.64 -0.41 120.40 134.27 3kl9 s VAL 74 Ca -0.00 0.81 0.07 0.00 0.00 0.00 0.00 61.98 62.86 3kl9 s VAL 74 Cb -0.03 -3.56 -0.24 0.00 0.00 0.00 0.00 36.38 32.55 3kl9 s VAL 74 CO 0.01 -0.12 0.63 0.77 0.00 0.00 0.00 175.10 176.39 3kl9 h SER 75 N 9.70 0.11 -4.73 3.32 4.64 -1.25 0.11 113.55 125.46 3kl9 h SER 75 Ca -0.37 -0.24 0.01 0.00 -0.47 0.00 0.00 61.79 60.73 3kl9 h SER 75 Cb 1.16 -0.04 -0.18 0.00 -0.31 0.00 0.00 62.40 63.04 3kl9 h SER 75 CO 0.97 1.21 0.33 -1.83 -0.87 0.00 0.00 176.83 176.64 3kl9 s GLU 76 N -2.59 0.95 -0.29 4.77 -1.05 -1.07 -4.88 118.70 114.55 3kl9 s GLU 76 Ca -0.09 -0.02 -0.08 0.00 -0.15 0.00 0.00 54.97 54.64 3kl9 s GLU 76 Cb 0.08 0.44 -0.00 0.00 -0.44 0.00 0.00 34.13 34.21 3kl9 s GLU 76 CO 0.81 -0.35 0.10 0.42 0.95 0.00 0.00 175.26 177.19 3kl9 s ILE 77 N -2.05 4.21 0.70 1.83 1.01 -1.26 -1.68 121.20 123.95 3kl9 s ILE 77 Ca -0.03 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 3kl9 s ILE 77 Cb -0.00 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.37 3kl9 s ILE 77 CO -0.00 0.13 1.11 -0.54 0.00 0.00 0.00 174.94 175.64 3kl9 s LYS 78 N 1.56 2.61 0.64 2.79 -0.14 0.12 -4.90 119.74 122.41 3kl9 s LYS 78 Ca 0.04 1.32 0.39 0.00 -1.36 0.00 0.00 55.97 56.36 3kl9 s LYS 78 Cb -0.17 -1.93 2.21 0.00 -1.68 0.00 0.00 37.83 36.26 3kl9 s LYS 78 CO 0.04 -1.39 2.32 -1.35 -0.76 0.00 0.00 175.35 174.21 3kl9 h PRO 79 N -0.36 0.00 -0.33 -1.68 0.11 -1.96 -1.03 132.00 126.75 3kl9 h PRO 79 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kl9 h PRO 79 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kl9 h PRO 79 CO 0.53 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 3kl9 n ASP 80 N -3.34 1.71 0.00 -2.05 5.75 -1.26 -0.22 116.55 117.14 3kl9 n ASP 80 Ca -0.03 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3kl9 n ASP 80 Cb 0.09 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 0.97 0.70 3.96 6.12 0.00 -0.39 -3.96 105.19 112.59 3kl9 n GLY 81 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.54 3.18 0.06 2.61 -4.23 -1.26 -4.49 115.64 108.97 3kl9 s THR 82 Ca 0.00 -0.55 0.09 0.00 -1.18 0.00 0.00 61.69 60.05 3kl9 s THR 82 Cb 0.00 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 3kl9 s THR 82 CO 0.00 -0.15 -0.25 -0.36 -0.54 0.00 0.00 174.62 173.33 3kl9 s PHE 83 N -2.72 2.16 -0.11 3.99 0.08 0.14 -0.70 117.98 120.82 3kl9 s PHE 83 Ca 0.54 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 57.18 3kl9 s PHE 83 Cb -0.10 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.05 3kl9 s PHE 83 CO 0.39 0.16 -0.07 1.03 -0.10 0.00 0.00 175.22 176.62 3kl9 s ARG 84 N -1.39 3.21 0.46 0.44 1.81 -0.68 -1.34 118.95 121.47 3kl9 s ARG 84 Ca 0.11 -0.57 0.07 0.00 -1.72 0.00 0.00 55.73 53.62 3kl9 s ARG 84 Cb -0.10 -2.71 0.00 0.00 -0.45 0.00 0.00 34.95 31.70 3kl9 s ARG 84 CO 0.03 0.41 0.41 0.14 -0.68 0.00 0.00 175.30 175.61 3kl9 s VAL 85 N -0.13 2.34 0.04 3.52 -7.23 -1.26 -0.82 120.40 116.86 3kl9 s VAL 85 Ca 0.01 -1.37 0.08 0.00 -1.81 0.00 0.00 61.98 58.89 3kl9 s VAL 85 Cb -0.13 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 3kl9 s VAL 85 CO 0.03 0.00 -0.22 0.54 -0.31 0.00 0.00 175.10 175.14 3kl9 s VAL 86 N -2.57 1.79 0.26 1.32 0.11 0.45 -4.46 120.40 117.30 3kl9 s VAL 86 Ca 0.45 -1.22 -0.30 0.00 -2.93 0.00 0.00 61.98 57.99 3kl9 s VAL 86 Cb -0.03 -1.54 -0.09 0.00 -1.53 0.00 0.00 36.38 33.19 3kl9 s VAL 86 CO 0.27 0.27 1.11 -1.83 -3.33 0.00 0.00 175.10 171.59 3kl9 s GLU 87 N -1.13 4.63 -0.35 1.54 -1.05 -1.26 -1.78 118.70 119.30 3kl9 s GLU 87 Ca 0.09 1.80 -0.01 0.00 -0.15 0.00 0.00 54.97 56.70 3kl9 s GLU 87 Cb -0.09 -3.20 0.09 0.00 -0.44 0.00 0.00 34.13 30.49 3kl9 s GLU 87 CO 0.02 0.18 0.10 0.42 0.95 0.00 0.00 175.26 176.92 3kl9 s ILE 88 N -1.00 2.95 0.00 1.83 1.01 0.57 -4.89 121.20 121.67 3kl9 s ILE 88 Ca 0.45 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 59.23 3kl9 s ILE 88 Cb -0.32 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.22 3kl9 s ILE 88 CO 0.40 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.50 3kl9 n GLY 89 N 4.53 0.09 3.70 6.18 0.00 -1.26 -1.25 105.19 117.18 3kl9 n GLY 89 Ca -0.05 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.78 1.97 -0.06 -0.02 0.00 -1.26 -4.86 107.32 101.30 3kl9 s GLY 90 Ca 0.00 0.98 0.05 0.00 0.00 0.00 0.00 44.72 45.76 3kl9 s GLY 90 CO 0.00 2.39 -0.22 -0.98 0.00 0.00 0.00 173.10 174.29 3kl9 s TRP 91 N 1.69 2.16 -0.08 1.90 0.52 -1.26 -4.93 118.94 118.95 3kl9 s TRP 91 Ca 0.64 -0.66 -0.30 0.00 0.02 0.00 0.00 56.10 55.81 3kl9 s TRP 91 Cb -0.34 -1.43 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 3kl9 s TRP 91 CO 0.29 -0.21 1.57 1.21 0.02 0.00 0.00 176.95 179.82 3kl9 s ASN 92 N -0.04 6.73 0.35 2.95 3.84 -1.26 -4.91 114.94 122.60 3kl9 s ASN 92 Ca -0.05 2.12 0.25 0.00 0.21 0.00 0.00 52.86 55.39 3kl9 s ASN 92 Cb -0.13 -2.53 1.28 0.00 -0.55 0.00 0.00 41.25 39.31 3kl9 s ASN 92 CO 0.03 -0.89 1.75 -0.65 -2.79 0.00 0.00 177.10 174.56 3kl9 h PRO 93 N 9.22 0.00 0.00 0.43 0.11 -1.99 -2.36 132.00 137.41 3kl9 h PRO 93 Ca -0.36 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 3kl9 h PRO 93 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kl9 h PRO 93 CO 0.96 0.00 -0.09 0.52 -0.21 0.00 0.00 178.00 179.18 3kl9 h MET 94 N 0.00 0.00 -0.55 1.05 2.86 -1.92 -3.13 114.93 113.24 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 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3kl9 h MET 94 CO 0.00 0.09 0.00 1.33 1.06 0.00 0.00 176.91 179.39 3kl9 n VAL 95 N -3.25 0.96 -0.08 -2.22 0.24 -0.89 -4.60 118.33 108.49 3kl9 n VAL 95 Ca -0.00 -0.98 -0.14 0.00 -2.04 0.00 0.00 64.34 61.19 3kl9 n VAL 95 Cb 0.33 0.54 -0.14 0.00 -1.47 0.00 0.00 33.84 33.09 3kl9 n VAL 95 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3kl9 n VAL 96 N 1.16 1.51 -2.28 3.34 0.31 -1.18 -4.89 118.33 116.29 3kl9 n VAL 96 Ca 0.19 -0.74 -0.37 0.00 -0.01 0.00 0.00 64.34 63.41 3kl9 n VAL 96 Cb 0.54 -1.01 -0.01 0.00 -0.91 0.00 0.00 33.84 32.45 3kl9 n VAL 96 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3kl9 s SER 97 N -6.10 6.22 -1.22 4.52 0.01 -1.26 -3.99 113.70 111.88 3kl9 s SER 97 Ca -0.18 2.28 -0.02 0.00 1.31 0.00 0.00 55.95 59.34 3kl9 s SER 97 Cb 0.07 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 3kl9 s SER 97 CO 0.75 -0.88 0.85 -1.20 0.41 0.00 0.00 173.24 173.17 3kl9 n SER 98 N -0.46 -2.52 -4.22 2.44 7.64 -0.92 -4.99 113.62 110.57 3kl9 n SER 98 Ca 0.07 -0.74 -0.27 0.00 1.01 0.00 0.00 58.87 58.94 3kl9 n SER 98 Cb 0.48 -4.58 -0.15 0.00 -1.01 0.00 0.00 64.21 58.95 3kl9 n SER 98 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3kl9 s GLN 99 N -5.52 1.65 0.30 1.43 -1.52 -1.24 -4.94 119.66 109.82 3kl9 s GLN 99 Ca 0.10 -0.76 -0.27 0.00 -1.95 0.00 0.00 55.36 52.48 3kl9 s GLN 99 Cb -0.02 -1.61 -0.10 0.00 -0.22 0.00 0.00 33.01 31.06 3kl9 s GLN 99 CO 0.77 0.44 0.96 1.03 -0.25 0.00 0.00 175.29 178.24 3kl9 s ARG 100 N -0.55 4.64 0.22 2.91 0.52 -1.26 -2.08 118.95 123.36 3kl9 s ARG 100 Ca 0.08 1.41 -0.02 0.00 -0.52 0.00 0.00 55.73 56.68 3kl9 s ARG 100 Cb -0.08 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 3kl9 s ARG 100 CO -0.01 0.32 0.21 -0.06 0.02 0.00 0.00 175.30 175.78 3kl9 s PHE 101 N -1.47 1.10 -0.12 -0.53 0.08 0.12 -1.50 117.98 115.66 3kl9 s PHE 101 Ca 0.48 -1.31 0.02 0.00 0.12 0.00 0.00 56.93 56.23 3kl9 s PHE 101 Cb -0.22 -0.45 0.01 0.00 -0.57 0.00 0.00 43.02 41.80 3kl9 s PHE 101 CO 0.27 -0.73 -0.16 0.15 -0.10 0.00 0.00 175.22 174.65 3kl9 s LYS 102 N -4.03 2.35 -0.37 0.44 1.02 0.15 -2.28 119.74 117.01 3kl9 s LYS 102 Ca 0.37 -0.60 -0.18 0.00 0.02 0.00 0.00 55.97 55.57 3kl9 s LYS 102 Cb 0.05 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 3kl9 s LYS 102 CO 0.13 -0.08 0.52 -1.17 -0.92 0.00 0.00 175.35 173.84 3kl9 s LEU 103 N 1.02 4.43 -0.52 3.17 0.20 -0.39 -0.25 118.68 126.34 3kl9 s LEU 103 Ca -0.05 -0.16 -0.22 0.00 0.69 0.00 0.00 54.13 54.39 3kl9 s LEU 103 Cb -0.15 -2.58 0.05 0.00 -0.43 0.00 0.00 46.19 43.08 3kl9 s LEU 103 CO -0.03 -0.53 0.79 -0.76 -0.29 0.00 0.00 176.35 175.53 3kl9 s LEU 104 N 2.42 4.48 0.58 -0.68 1.02 -0.12 -1.44 118.68 124.93 3kl9 s LEU 104 Ca 0.18 -0.57 -0.17 0.00 0.02 0.00 0.00 54.13 53.59 3kl9 s LEU 104 Cb -0.15 -2.67 -0.04 0.00 0.02 0.00 0.00 46.19 43.34 3kl9 s LEU 104 CO 0.14 -1.06 1.08 -0.89 0.02 0.00 0.00 176.35 175.64 3kl9 s THR 105 N 3.33 3.59 0.36 5.49 2.01 -0.18 -3.69 115.64 126.55 3kl9 s THR 105 Ca 0.24 0.83 0.08 0.00 0.31 0.00 0.00 61.69 63.15 3kl9 s THR 105 Cb -0.15 -3.32 0.14 0.00 0.01 0.00 0.00 72.50 69.17 3kl9 s THR 105 CO 0.16 -0.37 1.88 -0.09 -0.69 0.00 0.00 174.62 175.51 3kl9 h ARG 106 N 0.69 0.31 -0.88 4.92 2.43 -1.88 -1.96 114.38 118.01 3kl9 h ARG 106 Ca -0.48 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 58.47 3kl9 h ARG 106 Cb 1.23 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.65 3kl9 h ARG 106 CO 0.57 0.45 0.19 -0.40 -1.51 0.00 0.00 179.97 179.27 3kl9 n ASP 107 N -4.24 3.57 -0.57 -3.80 5.68 -1.26 -4.91 116.55 111.01 3kl9 n ASP 107 Ca -0.00 -2.73 -0.06 0.00 -0.50 0.00 0.00 54.79 51.50 3kl9 n ASP 107 Cb 0.29 -0.65 -0.02 0.00 -1.14 0.00 0.00 41.12 39.60 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 -0.04 0.62 3.79 6.12 0.00 -0.74 -5.04 105.19 109.91 3kl9 n GLY 108 Ca 0.25 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.27 3.72 -0.40 1.61 3.76 -1.26 -4.90 115.29 115.55 3kl9 s HIS 109 Ca 0.00 1.65 0.01 0.00 -0.15 0.00 0.00 55.06 56.57 3kl9 s HIS 109 Cb 0.00 -2.81 0.11 0.00 1.11 0.00 0.00 32.58 30.99 3kl9 s HIS 109 CO 0.00 0.30 0.15 -1.21 -0.85 0.00 0.00 174.74 173.13 3kl9 s GLU 110 N -1.87 1.79 -0.25 1.40 2.02 -1.26 -1.01 118.70 119.51 3kl9 s GLU 110 Ca 0.46 -1.99 -0.10 0.00 0.02 0.00 0.00 54.97 53.35 3kl9 s GLU 110 Cb -0.19 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 3kl9 s GLU 110 CO 0.24 -1.02 0.16 0.96 0.02 0.00 0.00 175.26 175.62 3kl9 s ILE 111 N 0.78 5.28 0.11 -1.63 -5.25 -0.52 -4.85 121.20 115.13 3kl9 s ILE 111 Ca 0.11 0.15 -0.31 0.00 -0.99 0.00 0.00 60.65 59.62 3kl9 s ILE 111 Cb -0.21 -3.47 -0.10 0.00 2.95 0.00 0.00 42.46 41.62 3kl9 s ILE 111 CO -0.06 0.33 1.86 -2.84 -1.79 0.00 0.00 174.94 172.44 3kl9 s PRO 112 N 1.22 4.13 -0.02 0.37 0.02 -1.26 -1.26 135.00 138.21 3kl9 s PRO 112 Ca 0.07 2.61 0.02 0.00 0.02 0.00 0.00 61.00 63.72 3kl9 s PRO 112 Cb -0.14 -3.67 0.00 0.00 0.02 0.00 0.00 34.50 30.72 3kl9 s PRO 112 CO 0.06 -0.86 -0.06 0.08 -0.33 0.00 0.00 177.00 175.88 3kl9 s VAL 113 N 2.97 0.58 0.08 3.83 1.01 -0.97 -4.47 120.40 123.43 3kl9 s VAL 113 Ca 0.82 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.63 3kl9 s VAL 113 Cb -0.46 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3kl9 s VAL 113 CO 0.37 0.19 -0.20 0.27 0.00 0.00 0.00 175.10 175.73 3kl9 s ILE 114 N 0.23 1.66 0.19 2.22 -4.36 0.18 0.13 121.20 121.44 3kl9 s ILE 114 Ca -0.03 -1.42 -0.20 0.00 -0.26 0.00 0.00 60.65 58.74 3kl9 s ILE 114 Cb -0.07 -1.49 -0.08 0.00 1.25 0.00 0.00 42.46 42.07 3kl9 s ILE 114 CO 0.00 0.01 0.70 -0.94 0.24 0.00 0.00 174.94 174.95 3kl9 s SER 115 N -1.68 7.10 -0.02 4.36 1.04 -0.88 0.11 113.70 123.73 3kl9 s SER 115 Ca 0.06 1.42 -0.09 0.00 0.48 0.00 0.00 55.95 57.82 3kl9 s SER 115 Cb -0.10 -2.42 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 3kl9 s SER 115 CO 0.03 0.10 0.57 1.23 0.98 0.00 0.00 173.24 176.15 3kl9 h GLY 116 N 3.72 -0.34 0.00 7.32 0.00 -0.69 -2.45 103.07 110.63 3kl9 h GLY 116 Ca -0.48 0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3kl9 h GLY 116 CO 0.65 -0.12 0.00 -1.55 0.00 0.00 0.00 176.54 175.52 3kl9 n PRO 132 N -3.73 0.00 -3.37 4.80 -0.04 -1.26 -3.16 135.00 128.24 3kl9 n PRO 132 Ca -0.04 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.04 3kl9 n PRO 132 Cb 0.13 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.53 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 3.50 0.27 0.55 0.00 -1.26 -4.86 121.76 119.96 3kl9 s ALA 133 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3kl9 s ALA 133 Cb 0.00 -2.58 0.57 0.00 0.00 0.00 0.00 23.12 21.10 3kl9 s ALA 133 CO 0.00 0.02 1.78 0.82 0.00 0.00 0.00 175.76 178.38 3kl9 h ILE 134 N 4.72 0.78 0.00 0.00 2.04 -1.96 0.52 117.51 123.60 3kl9 h ILE 134 Ca -0.41 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3kl9 h ILE 134 Cb 1.17 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3kl9 h ILE 134 CO 0.76 0.13 0.00 0.00 0.00 0.00 0.00 178.15 179.04 3kl9 h ALA 135 N 1.56 1.00 -0.01 1.87 0.00 -1.94 -2.41 119.26 119.33 3kl9 h ALA 135 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3kl9 h ALA 135 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kl9 h ALA 135 CO -0.34 0.00 -0.71 -0.25 0.00 0.00 0.00 179.25 177.96 3kl9 n ASP 136 N -2.67 1.32 -4.69 0.00 8.00 0.17 -4.65 116.55 114.03 3kl9 n ASP 136 Ca -0.02 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 3kl9 n ASP 136 Cb 0.08 0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 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 -2.77 4.66 -0.11 0.53 1.01 -0.91 -4.97 121.20 118.63 3kl9 s ILE 137 Ca 0.13 1.93 -0.29 0.00 0.00 0.00 0.00 60.65 62.42 3kl9 s ILE 137 Cb 0.17 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3kl9 s ILE 137 CO 0.72 0.05 1.43 -0.69 0.00 0.00 0.00 174.94 176.45 3kl9 s VAL 138 N 1.75 3.97 -0.17 2.92 1.01 -1.26 -4.58 120.40 124.03 3kl9 s VAL 138 Ca 0.51 1.17 -0.07 0.00 0.00 0.00 0.00 61.98 63.59 3kl9 s VAL 138 Cb -0.21 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3kl9 s VAL 138 CO 0.22 -0.10 0.07 -0.36 0.00 0.00 0.00 175.10 174.93 3kl9 s PHE 139 N 3.70 3.30 -0.07 5.22 0.40 -0.45 0.09 117.98 130.17 3kl9 s PHE 139 Ca 0.63 0.16 0.01 0.00 -0.60 0.00 0.00 56.93 57.13 3kl9 s PHE 139 Cb -0.27 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.22 3kl9 s PHE 139 CO 0.21 0.25 -0.07 0.34 0.70 0.00 0.00 175.22 176.65 3kl9 s ASP 140 N 0.15 1.54 0.00 1.36 3.68 0.12 0.28 116.67 123.80 3kl9 s ASP 140 Ca 0.05 -0.22 0.07 0.00 2.13 0.00 0.00 52.55 54.59 3kl9 s ASP 140 Cb -0.12 -0.66 0.21 0.00 -1.45 0.00 0.00 42.92 40.90 3kl9 s ASP 140 CO 0.00 -0.05 1.16 0.61 0.13 0.00 0.00 175.17 177.03 3kl9 n GLY 141 N 4.25 2.72 2.26 2.66 0.00 -1.26 -0.65 105.19 115.17 3kl9 n GLY 141 Ca -0.20 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 3kl9 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl9 n GLY 142 N 0.21 0.18 3.73 -0.02 0.00 -1.26 -4.93 105.19 103.10 3kl9 n GLY 142 Ca 0.08 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 2.98 0.12 1.61 0.40 -1.26 -5.04 117.98 113.64 3kl9 s PHE 143 Ca 0.13 -0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.34 3kl9 s PHE 143 Cb -0.06 -1.43 -0.12 0.00 0.51 0.00 0.00 43.02 41.93 3kl9 s PHE 143 CO 0.33 0.52 1.28 0.00 0.70 0.00 0.00 175.22 178.06 3kl9 h ALA 144 N 2.51 0.34 -2.96 5.36 0.00 -1.91 -3.43 119.26 119.18 3kl9 h ALA 144 Ca -0.47 -0.74 0.03 0.00 0.00 0.00 0.00 54.91 53.73 3kl9 h ALA 144 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3kl9 h ALA 144 CO 0.60 0.86 0.28 0.16 0.00 0.00 0.00 179.25 181.15 3kl9 s ASP 145 N -7.07 -0.11 0.21 0.00 3.84 -1.25 -4.57 116.67 107.72 3kl9 s ASP 145 Ca -0.05 -0.88 -0.12 0.00 -0.00 0.00 0.00 52.55 51.49 3kl9 s ASP 145 Cb 0.09 0.78 0.27 0.00 -1.38 0.00 0.00 42.92 42.67 3kl9 s ASP 145 CO 0.86 -1.50 1.64 0.50 -0.00 0.00 0.00 175.17 176.68 3kl9 h LYS 146 N 2.00 0.04 -0.37 2.11 3.64 -0.68 -2.33 116.57 120.98 3kl9 h LYS 146 Ca -0.26 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.18 3kl9 h LYS 146 Cb 1.25 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 3kl9 h LYS 146 CO 0.33 0.03 -0.02 0.00 -2.27 0.00 0.00 179.45 177.51 3kl9 h ALA 147 N 1.60 0.31 -0.12 5.00 0.00 -1.91 -1.95 119.26 122.19 3kl9 h ALA 147 Ca 0.31 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 3kl9 h ALA 147 Cb 0.50 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3kl9 h ALA 147 CO -0.60 -0.41 0.03 1.49 0.00 0.00 0.00 179.25 179.76 3kl9 h GLU 148 N 0.07 0.19 -0.73 0.00 4.81 -1.88 -1.94 114.58 115.10 3kl9 h GLU 148 Ca 0.18 -0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.53 3kl9 h GLU 148 Cb 0.26 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.49 3kl9 h GLU 148 CO -0.32 0.34 0.05 0.00 -0.73 0.00 0.00 179.01 178.35 3kl9 h ALA 149 N 0.84 0.80 -0.06 2.92 0.00 -1.16 -0.44 119.26 122.16 3kl9 h ALA 149 Ca 0.04 0.22 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 3kl9 h ALA 149 Cb 0.23 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3kl9 h ALA 149 CO -0.00 -0.41 -0.40 0.93 0.00 0.00 0.00 179.25 179.37 3kl9 h GLU 150 N 0.14 0.13 0.00 0.00 5.08 -1.07 -2.90 114.58 115.96 3kl9 h GLU 150 Ca 0.40 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3kl9 h GLU 150 Cb 0.70 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3kl9 h GLU 150 CO -0.61 0.51 0.00 0.66 -1.00 0.00 0.00 179.01 178.57 3kl9 h SER 151 N 0.11 0.00 -0.33 1.42 4.64 -0.29 0.11 113.55 119.21 3kl9 h SER 151 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3kl9 h SER 151 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3kl9 h SER 151 CO 0.06 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.51 3kl9 n PHE 152 N -3.08 0.61 -0.71 4.77 3.01 -1.10 -4.90 117.46 116.06 3kl9 n PHE 152 Ca -0.01 -0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.19 3kl9 n PHE 152 Cb 0.23 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 0.85 0.59 3.74 1.37 0.00 0.02 -4.89 105.19 106.88 3kl9 n GLY 153 Ca 0.12 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 4.86 0.02 -0.61 1.01 -1.21 -4.27 121.20 119.00 3kl9 s ILE 154 Ca 0.00 1.52 -0.01 0.00 0.00 0.00 0.00 60.65 62.16 3kl9 s ILE 154 Cb 0.00 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 3kl9 s ILE 154 CO 0.00 0.34 -0.01 -0.13 0.00 0.00 0.00 174.94 175.13 3kl9 s ARG 155 N 0.19 0.36 0.20 2.79 1.81 -1.26 -4.39 118.95 118.65 3kl9 s ARG 155 Ca 0.37 -0.65 -0.32 0.00 -1.72 0.00 0.00 55.73 53.41 3kl9 s ARG 155 Cb -0.19 0.13 -0.15 0.00 -0.45 0.00 0.00 34.95 34.29 3kl9 s ARG 155 CO 0.21 -0.06 1.22 -2.30 -0.68 0.00 0.00 175.30 173.69 3kl9 n PRO 156 N 1.43 1.44 0.00 3.54 -0.02 -1.26 -1.64 135.00 138.49 3kl9 n PRO 156 Ca -0.23 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3kl9 n PRO 156 Cb 0.56 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3kl9 n PRO 156 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kl9 n GLY 157 N 1.99 2.08 3.74 -1.23 0.00 0.40 -4.98 105.19 107.19 3kl9 n GLY 157 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3kl9 n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kl9 n ASP 158 N 0.00 3.88 -4.76 1.61 9.92 -0.65 -4.62 116.55 121.92 3kl9 n ASP 158 Ca 0.00 1.14 -0.39 0.00 -0.53 0.00 0.00 54.79 55.01 3kl9 n ASP 158 Cb 0.00 -1.59 -0.05 0.00 -0.64 0.00 0.00 41.12 38.84 3kl9 n ASP 158 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3kl9 s THR 159 N 0.08 3.79 -0.30 -3.53 -1.32 -1.24 -1.62 115.64 111.50 3kl9 s THR 159 Ca 0.65 1.69 0.01 0.00 -1.21 0.00 0.00 61.69 62.83 3kl9 s THR 159 Cb -0.50 -4.03 0.09 0.00 -1.51 0.00 0.00 72.50 66.55 3kl9 s THR 159 CO 0.47 0.32 0.04 -0.63 -2.21 0.00 0.00 174.62 172.61 3kl9 s ILE 160 N -1.30 1.53 -0.14 5.08 1.01 0.55 -0.94 121.20 126.98 3kl9 s ILE 160 Ca 0.46 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.33 3kl9 s ILE 160 Cb -0.27 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 3kl9 s ILE 160 CO 0.34 -0.50 0.21 -0.69 0.00 0.00 0.00 174.94 174.30 3kl9 s VAL 161 N 1.31 5.36 0.34 2.92 1.01 0.65 -1.38 120.40 130.62 3kl9 s VAL 161 Ca 0.06 0.38 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 3kl9 s VAL 161 Cb -0.18 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 3kl9 s VAL 161 CO -0.14 0.50 0.83 -2.65 0.00 0.00 0.00 175.10 173.63 3kl9 n PRO 162 N 2.84 0.98 -3.94 2.72 -0.02 -1.26 0.29 135.00 136.61 3kl9 n PRO 162 Ca -0.16 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.33 3kl9 n PRO 162 Cb 0.53 -1.69 -0.14 0.00 -0.02 0.00 0.00 33.50 32.18 3kl9 n PRO 162 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kl9 s ASP 163 N -0.75 4.87 -0.26 2.55 2.15 -0.56 -4.64 116.67 120.03 3kl9 s ASP 163 Ca 0.61 -1.76 -0.14 0.00 0.43 0.00 0.00 52.55 51.70 3kl9 s ASP 163 Cb -0.67 -1.69 0.08 0.00 -0.30 0.00 0.00 42.92 40.34 3kl9 s ASP 163 CO 0.58 -0.36 0.63 -0.55 -0.17 0.00 0.00 175.17 175.31 3kl9 s SER 164 N 1.27 -0.87 0.55 -0.34 0.15 -1.26 -4.68 113.70 108.51 3kl9 s SER 164 Ca 0.02 1.40 -0.08 0.00 0.70 0.00 0.00 55.95 57.99 3kl9 s SER 164 Cb -0.20 1.35 -0.04 0.00 -1.71 0.00 0.00 66.02 65.42 3kl9 s SER 164 CO -0.05 -0.23 0.90 -0.94 1.20 0.00 0.00 173.24 174.13 3kl9 s SER 165 N 1.72 6.25 -0.15 5.45 1.04 -1.26 -4.49 113.70 122.27 3kl9 s SER 165 Ca -0.09 1.17 -0.16 0.00 0.48 0.00 0.00 55.95 57.34 3kl9 s SER 165 Cb -0.06 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 3kl9 s SER 165 CO -0.18 -0.72 0.40 0.00 0.98 0.00 0.00 173.24 173.72 3kl9 s ALA 166 N -2.95 3.53 0.08 5.32 0.00 -1.26 -4.31 121.76 122.17 3kl9 s ALA 166 Ca 0.51 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.17 3kl9 s ALA 166 Cb -0.11 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 3kl9 s ALA 166 CO 0.49 -0.02 -0.09 0.96 0.00 0.00 0.00 175.76 177.10 3kl9 s ILE 167 N 0.70 0.80 0.22 0.00 -4.36 0.22 -4.99 121.20 113.79 3kl9 s ILE 167 Ca 0.22 -1.53 -0.30 0.00 -0.26 0.00 0.00 60.65 58.78 3kl9 s ILE 167 Cb -0.14 -1.20 -0.08 0.00 1.25 0.00 0.00 42.46 42.28 3kl9 s ILE 167 CO 0.08 -0.55 1.07 -0.76 0.24 0.00 0.00 174.94 175.02 3kl9 s LEU 168 N -2.28 4.54 1.08 0.37 1.02 -1.26 -1.06 118.68 121.07 3kl9 s LEU 168 Ca 0.02 2.12 -0.15 0.00 0.02 0.00 0.00 54.13 56.13 3kl9 s LEU 168 Cb -0.04 -3.61 0.23 0.00 0.02 0.00 0.00 46.19 42.79 3kl9 s LEU 168 CO -0.01 -0.13 1.12 0.42 0.02 0.00 0.00 176.35 177.77 3kl9 s THR 169 N -0.69 1.84 0.28 5.49 -4.23 -0.09 -4.88 115.64 113.35 3kl9 s THR 169 Ca 0.46 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.94 3kl9 s THR 169 Cb -0.29 -2.55 0.24 0.00 1.34 0.00 0.00 72.50 71.24 3kl9 s THR 169 CO 0.36 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.37 3kl9 h ALA 170 N -2.14 1.32 -0.00 3.99 0.00 -1.98 -1.88 119.26 118.58 3kl9 h ALA 170 Ca -0.50 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3kl9 h ALA 170 Cb 1.31 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kl9 h ALA 170 CO 0.48 0.59 -0.02 0.27 0.00 0.00 0.00 179.25 180.57 3kl9 n ASN 171 N -4.38 0.09 -1.39 0.00 0.23 -1.26 -4.92 115.26 103.64 3kl9 n ASN 171 Ca 0.09 -0.29 -0.16 0.00 -0.53 0.00 0.00 54.58 53.69 3kl9 n ASN 171 Cb 0.05 -0.22 -0.05 0.00 -2.08 0.00 0.00 39.78 37.48 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 -1.20 -1.16 -0.00 -3.83 1.02 -0.71 -4.84 120.64 109.91 3kl9 n GLU 172 Ca 0.15 0.99 0.06 0.00 -0.02 0.00 0.00 57.16 58.34 3kl9 n GLU 172 Cb 0.24 -5.23 -0.08 0.00 -0.02 0.00 0.00 31.44 26.35 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 -2.54 1.54 -4.32 3.49 4.76 -1.26 -4.95 118.16 114.88 3kl9 n LYS 173 Ca -0.17 -0.06 -0.23 0.00 -2.87 0.00 0.00 58.31 54.98 3kl9 n LYS 173 Cb 0.56 -1.18 -0.12 0.00 -1.84 0.00 0.00 35.03 32.45 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 -2.82 2.65 -0.03 4.39 0.01 -1.26 -1.98 114.94 115.90 3kl9 s ASN 174 Ca -0.01 -0.78 0.06 0.00 -0.71 0.00 0.00 52.86 51.42 3kl9 s ASN 174 Cb 0.08 -0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.56 3kl9 s ASN 174 CO 0.47 0.02 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.26 3kl9 s ILE 175 N -1.62 2.70 -0.23 0.60 1.01 0.53 -0.92 121.20 123.28 3kl9 s ILE 175 Ca 0.12 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 3kl9 s ILE 175 Cb -0.08 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3kl9 s ILE 175 CO 0.06 0.55 0.04 -0.63 0.00 0.00 0.00 174.94 174.96 3kl9 s ILE 176 N -0.72 4.22 0.25 2.92 1.01 -0.23 -1.45 121.20 127.20 3kl9 s ILE 176 Ca 0.11 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 3kl9 s ILE 176 Cb -0.10 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.46 3kl9 s ILE 176 CO 0.01 0.38 0.55 -1.54 0.00 0.00 0.00 174.94 174.33 3kl9 n SER 177 N 4.59 -1.49 -4.97 3.58 3.41 -0.39 -0.61 113.62 117.74 3kl9 n SER 177 Ca -0.17 -2.01 -0.19 0.00 -0.26 0.00 0.00 58.87 56.24 3kl9 n SER 177 Cb 0.52 2.48 -0.01 0.00 -0.26 0.00 0.00 64.21 66.94 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 -2.06 2.99 -1.12 4.33 -2.85 -1.22 -0.05 119.74 119.77 3kl9 s LYS 178 Ca 0.11 -1.11 -0.03 0.00 -1.00 0.00 0.00 55.97 53.95 3kl9 s LYS 178 Cb -0.03 -2.74 0.02 0.00 -2.06 0.00 0.00 37.83 33.02 3kl9 s LYS 178 CO 0.07 0.01 0.16 0.00 0.10 0.00 0.00 175.35 175.70 3kl9 n ALA 179 N -1.62 -0.87 -0.00 0.59 0.00 -1.26 -4.79 120.51 112.55 3kl9 n ALA 179 Ca 0.01 0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.55 3kl9 n ALA 179 Cb 0.59 -1.95 0.29 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.34 0.55 -3.13 0.00 -0.00 -1.93 -1.10 115.95 110.00 3kl9 h TRP 180 Ca -0.34 -0.05 -0.61 0.00 -0.00 0.00 0.00 58.89 57.89 3kl9 h TRP 180 Cb 1.24 -0.16 -0.12 0.00 -0.00 0.00 0.00 29.16 30.12 3kl9 h TRP 180 CO 0.69 0.54 0.58 0.34 -0.00 0.00 0.00 178.44 180.59 3kl9 s ASP 181 N -6.73 6.32 -0.33 2.65 2.15 -1.26 -0.75 116.67 118.71 3kl9 s ASP 181 Ca -0.08 -0.41 0.14 0.00 0.43 0.00 0.00 52.55 52.64 3kl9 s ASP 181 Cb 0.15 -2.44 0.46 0.00 -0.30 0.00 0.00 42.92 40.80 3kl9 s ASP 181 CO 0.77 -1.27 1.07 -3.20 -0.17 0.00 0.00 175.17 172.37 3kl9 n ASN 182 N 7.55 2.91 0.20 -0.34 4.05 -1.15 -4.70 115.26 123.77 3kl9 n ASN 182 Ca 0.01 -2.98 0.13 0.00 0.45 0.00 0.00 54.58 52.20 3kl9 n ASN 182 Cb 0.47 -0.47 0.38 0.00 1.23 0.00 0.00 39.78 41.40 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 2.65 0.00 -0.55 1.20 2.47 -0.38 -2.02 114.38 117.75 3kl9 h ARG 183 Ca 0.07 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.87 3kl9 h ARG 183 Cb 1.20 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.43 3kl9 h ARG 183 CO 0.55 0.00 -0.49 -0.92 0.56 0.00 0.00 179.97 179.67 3kl9 h TYR 184 N 0.00 -1.49 -0.28 3.04 5.03 -1.15 -0.36 116.97 121.77 3kl9 h TYR 184 Ca 0.00 0.09 -0.12 0.00 2.58 0.00 0.00 58.73 61.28 3kl9 h TYR 184 Cb 0.75 0.73 -0.01 0.00 1.55 0.00 0.00 36.73 39.75 3kl9 h TYR 184 CO 0.00 -0.44 -0.32 0.78 -1.32 0.00 0.00 178.16 176.85 3kl9 h GLY 185 N -0.27 0.64 0.98 1.82 0.00 -1.58 -0.15 103.07 104.51 3kl9 h GLY 185 Ca 0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3kl9 h GLY 185 CO -0.68 0.53 -0.11 -2.08 0.00 0.00 0.00 176.54 174.20 3kl9 h VAL 186 N 0.50 0.78 -0.49 4.60 2.07 -1.21 -0.97 116.25 121.53 3kl9 h VAL 186 Ca 0.06 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kl9 h VAL 186 Cb 0.80 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3kl9 h VAL 186 CO 0.07 0.01 0.30 0.25 0.02 0.00 0.00 177.57 178.22 3kl9 h LEU 187 N -0.35 0.58 -0.41 2.57 6.46 -0.93 -2.20 115.31 121.03 3kl9 h LEU 187 Ca -0.03 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.75 3kl9 h LEU 187 Cb 0.26 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.99 3kl9 h LEU 187 CO 0.05 0.45 0.04 -0.03 -0.62 0.00 0.00 178.44 178.34 3kl9 h MET 188 N 0.65 0.16 -0.78 1.25 4.05 -0.84 0.16 114.93 119.58 3kl9 h MET 188 Ca 0.18 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 3kl9 h MET 188 Cb -0.03 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 3kl9 h MET 188 CO -0.03 0.10 0.36 0.28 0.23 0.00 0.00 176.91 177.85 3kl9 h VAL 189 N 0.16 1.25 -0.41 -5.77 2.07 -1.00 -1.65 116.25 110.90 3kl9 h VAL 189 Ca 0.20 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3kl9 h VAL 189 Cb 0.27 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3kl9 h VAL 189 CO -0.30 0.30 0.13 -1.28 0.02 0.00 0.00 177.57 176.45 3kl9 h SER 190 N 1.12 0.60 -0.28 0.57 0.87 -0.63 -2.59 113.55 113.20 3kl9 h SER 190 Ca 0.27 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 3kl9 h SER 190 Cb 0.14 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3kl9 h SER 190 CO -0.03 0.64 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.56 3kl9 h GLU 191 N 0.52 0.63 -0.41 2.24 4.39 -0.49 -2.79 114.58 118.68 3kl9 h GLU 191 Ca 0.13 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3kl9 h GLU 191 Cb 0.25 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3kl9 h GLU 191 CO -0.01 0.67 0.21 1.25 -1.16 0.00 0.00 179.01 179.98 3kl9 h LEU 192 N 0.60 0.52 -0.32 1.33 6.46 -1.15 -1.09 115.31 121.64 3kl9 h LEU 192 Ca 0.12 -0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 3kl9 h LEU 192 Cb 0.41 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 3kl9 h LEU 192 CO 0.02 0.47 0.12 0.00 -0.62 0.00 0.00 178.44 178.43 3kl9 h ALA 193 N 1.07 0.37 -0.34 1.25 0.00 -1.20 -0.74 119.26 119.66 3kl9 h ALA 193 Ca 0.14 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kl9 h ALA 193 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kl9 h ALA 193 CO -0.02 -0.27 0.10 1.49 0.00 0.00 0.00 179.25 180.55 3kl9 h GLU 194 N 0.27 0.54 -0.38 0.00 4.81 -1.42 -2.20 114.58 116.19 3kl9 h GLU 194 Ca 0.14 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3kl9 h GLU 194 Cb 0.10 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3kl9 h GLU 194 CO -0.14 0.57 0.11 0.00 -0.73 0.00 0.00 179.01 178.83 3kl9 h ALA 195 N 0.94 1.49 -0.41 2.92 0.00 -0.93 -2.82 119.26 120.46 3kl9 h ALA 195 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kl9 h ALA 195 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kl9 h ALA 195 CO -0.00 0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.91 3kl9 n LEU 196 N -4.35 3.02 0.12 0.00 4.32 -0.31 -4.69 117.00 115.11 3kl9 n LEU 196 Ca 0.02 -1.36 -0.12 0.00 -0.02 0.00 0.00 56.01 54.54 3kl9 n LEU 196 Cb 0.17 -0.26 -0.07 0.00 -1.62 0.00 0.00 43.42 41.64 3kl9 n LEU 196 CO 0.38 0.68 0.51 -1.28 -1.22 0.00 0.00 177.39 176.46 3kl9 h SER 197 N 3.73 -1.04 -0.35 -1.43 0.87 -1.13 -2.33 113.55 111.88 3kl9 h SER 197 Ca 0.00 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3kl9 h SER 197 Cb 0.83 0.37 -0.03 0.00 -0.44 0.00 0.00 62.40 63.13 3kl9 h SER 197 CO 0.00 -0.40 0.14 1.23 -0.53 0.00 0.00 176.83 177.27 3kl9 h GLY 198 N -0.57 0.45 -3.17 5.77 0.00 -1.83 -3.47 103.07 100.25 3kl9 h GLY 198 Ca -0.02 -0.09 -0.58 0.00 0.00 0.00 0.00 47.33 46.64 3kl9 h GLY 198 CO -0.15 0.06 -0.31 -1.06 0.00 0.00 0.00 176.54 175.08 3kl9 n GLN 199 N -4.99 0.59 -5.03 4.80 1.13 -0.88 -5.04 117.38 107.97 3kl9 n GLN 199 Ca 0.01 0.23 -0.32 0.00 -1.94 0.00 0.00 57.00 54.97 3kl9 n GLN 199 Cb 0.11 -1.75 -0.15 0.00 0.11 0.00 0.00 30.24 28.55 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 -2.12 2.83 0.13 -1.09 -2.85 -1.26 -5.04 119.74 110.35 3kl9 s LYS 200 Ca 0.69 -0.79 0.07 0.00 -1.00 0.00 0.00 55.97 54.94 3kl9 s LYS 200 Cb -0.46 -2.36 -0.04 0.00 -2.06 0.00 0.00 37.83 32.91 3kl9 s LYS 200 CO 0.54 0.37 -0.07 -0.51 0.10 0.00 0.00 175.35 175.78 3kl9 s LEU 201 N -0.10 3.12 0.00 2.77 1.43 -1.26 -5.01 118.68 119.63 3kl9 s LEU 201 Ca -0.04 -0.41 0.22 0.00 -1.03 0.00 0.00 54.13 52.88 3kl9 s LEU 201 Cb -0.14 -1.86 1.27 0.00 0.03 0.00 0.00 46.19 45.49 3kl9 s LEU 201 CO 0.04 0.15 1.69 0.61 0.23 0.00 0.00 176.35 179.07 3kl9 n GLY 202 N 0.41 -0.75 3.26 -3.19 0.00 -1.26 -4.45 105.19 99.20 3kl9 n GLY 202 Ca -0.12 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.12 2.05 -0.66 1.61 2.20 -1.19 -4.14 114.94 112.69 3kl9 s ASN 203 Ca 0.30 -0.88 -0.25 0.00 -0.94 0.00 0.00 52.86 51.09 3kl9 s ASN 203 Cb 0.15 -0.07 0.05 0.00 -2.00 0.00 0.00 41.25 39.38 3kl9 s ASN 203 CO 0.27 -0.18 1.11 -0.70 -2.94 0.00 0.00 177.10 174.65 3kl9 s GLU 204 N -3.02 3.22 -0.10 3.55 2.56 -0.49 -4.49 118.70 119.93 3kl9 s GLU 204 Ca 0.12 -0.39 -0.21 0.00 0.00 0.00 0.00 54.97 54.50 3kl9 s GLU 204 Cb -0.03 -4.16 -0.04 0.00 2.00 0.00 0.00 34.13 31.91 3kl9 s GLU 204 CO 0.03 -1.87 0.59 -1.17 -0.56 0.00 0.00 175.26 172.28 3kl9 s LEU 205 N 4.78 4.29 -0.27 2.70 2.96 -0.90 -1.13 118.68 131.11 3kl9 s LEU 205 Ca 0.31 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 55.20 3kl9 s LEU 205 Cb -0.12 -2.89 0.04 0.00 0.50 0.00 0.00 46.19 43.72 3kl9 s LEU 205 CO 0.15 -0.07 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.76 3kl9 s TYR 206 N 0.79 3.18 -0.13 5.38 1.51 0.13 -0.23 117.35 127.97 3kl9 s TYR 206 Ca 0.32 -1.82 0.00 0.00 -1.01 0.00 0.00 57.07 54.56 3kl9 s TYR 206 Cb -0.16 -2.06 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 3kl9 s TYR 206 CO 0.14 -0.79 -0.12 -1.17 -1.11 0.00 0.00 175.55 172.50 3kl9 s LEU 207 N 1.26 1.52 0.00 -1.29 0.20 0.46 -0.33 118.68 120.50 3kl9 s LEU 207 Ca -0.04 -0.42 0.00 0.00 0.69 0.00 0.00 54.13 54.36 3kl9 s LEU 207 Cb -0.18 -1.06 0.00 0.00 -0.43 0.00 0.00 46.19 44.52 3kl9 s LEU 207 CO -0.03 -0.07 0.00 0.61 -0.29 0.00 0.00 176.35 176.57 3kl9 n GLY 208 N 4.79 -0.79 3.20 7.98 0.00 -0.68 0.01 105.19 119.71 3kl9 n GLY 208 Ca -0.16 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.34 0.67 1.61 0.15 -0.73 -2.20 113.70 108.86 3kl9 s SER 209 Ca 0.00 0.65 -0.10 0.00 0.70 0.00 0.00 55.95 57.21 3kl9 s SER 209 Cb 0.00 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 3kl9 s SER 209 CO 0.00 -0.12 1.04 0.20 1.20 0.00 0.00 173.24 175.55 3kl9 s ASN 210 N 0.35 5.45 0.21 5.45 0.01 0.19 -3.10 114.94 123.51 3kl9 s ASN 210 Ca -0.02 0.97 0.02 0.00 -0.71 0.00 0.00 52.86 53.13 3kl9 s ASN 210 Cb -0.03 -1.82 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 3kl9 s ASN 210 CO -0.01 -1.28 0.36 0.54 -1.51 0.00 0.00 177.10 175.20 3kl9 s VAL 211 N -3.25 5.25 -1.38 1.60 0.11 -1.26 -0.81 120.40 120.66 3kl9 s VAL 211 Ca 0.57 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 3kl9 s VAL 211 Cb -0.11 -3.79 0.02 0.00 -1.53 0.00 0.00 36.38 30.98 3kl9 s VAL 211 CO 0.49 -0.23 0.73 0.00 -3.33 0.00 0.00 175.10 172.76 3kl9 n GLN 212 N -0.96 -4.82 0.05 1.54 6.02 -1.26 -1.99 117.38 115.96 3kl9 n GLN 212 Ca -0.07 0.58 -0.17 0.00 -0.01 0.00 0.00 57.00 57.33 3kl9 n GLN 212 Cb 0.55 -5.16 -0.08 0.00 1.02 0.00 0.00 30.24 26.57 3kl9 n GLN 212 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3kl9 h GLU 213 N -1.91 0.57 0.00 -1.09 4.22 -1.91 -1.34 114.58 113.12 3kl9 h GLU 213 Ca -0.61 -0.61 -0.01 0.00 0.08 0.00 0.00 59.36 58.21 3kl9 h GLU 213 Cb 1.37 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 3kl9 h GLU 213 CO 0.60 1.23 -0.04 0.93 -2.18 0.00 0.00 179.01 179.55 3kl9 h GLU 214 N 0.32 0.00 -0.68 1.92 4.39 -1.90 0.08 114.58 118.71 3kl9 h GLU 214 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3kl9 h GLU 214 Cb 1.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 3kl9 h GLU 214 CO 0.19 0.04 0.00 1.33 -1.16 0.00 0.00 179.01 179.41 3kl9 n VAL 215 N -3.17 1.70 0.00 3.13 0.24 -1.25 -4.12 118.33 114.85 3kl9 n VAL 215 Ca 0.00 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.14 3kl9 n VAL 215 Cb 0.30 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.26 0.92 3.11 7.63 0.00 -0.92 -4.83 105.19 112.36 3kl9 n GLY 216 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.12 0.02 0.99 4.77 -0.03 -4.88 117.00 115.74 3kl9 n LEU 217 Ca 0.00 -0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 3kl9 n LEU 217 Cb 0.00 -2.58 -0.09 0.00 -2.33 0.00 0.00 43.42 38.42 3kl9 n LEU 217 CO 0.00 0.17 0.69 0.03 -1.33 0.00 0.00 177.39 176.95 3kl9 h ARG 218 N -1.11 -0.03 -0.40 3.23 3.08 -1.46 -2.72 114.38 114.97 3kl9 h ARG 218 Ca -0.48 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.69 3kl9 h ARG 218 Cb 1.33 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 3kl9 h ARG 218 CO 0.54 0.31 0.30 0.78 -1.07 0.00 0.00 179.97 180.83 3kl9 h GLY 219 N -0.38 0.00 1.46 0.04 0.00 -1.52 -2.50 103.07 100.17 3kl9 h GLY 219 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3kl9 h GLY 219 CO 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.53 3kl9 h ALA 220 N 1.77 1.21 -0.31 3.60 0.00 -1.69 -1.62 119.26 122.22 3kl9 h ALA 220 Ca 0.19 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kl9 h ALA 220 Cb 0.80 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3kl9 h ALA 220 CO -0.00 0.52 -0.00 0.45 0.00 0.00 0.00 179.25 180.22 3kl9 h HIS 221 N 0.62 -0.02 0.03 0.00 -0.00 -1.47 -2.93 115.15 111.38 3kl9 h HIS 221 Ca 0.12 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.48 3kl9 h HIS 221 Cb 0.42 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 3kl9 h HIS 221 CO 0.02 -0.06 -0.18 1.79 -0.00 0.00 0.00 177.93 179.50 3kl9 h THR 222 N 0.09 1.72 -0.57 2.45 1.35 -1.53 -2.70 112.91 113.71 3kl9 h THR 222 Ca 0.15 -2.34 -0.00 0.00 -0.55 0.00 0.00 66.41 63.67 3kl9 h THR 222 Cb 0.20 3.30 -0.03 0.00 -1.73 0.00 0.00 68.15 69.89 3kl9 h THR 222 CO -0.25 0.62 0.35 0.77 -0.25 0.00 0.00 175.52 176.75 3kl9 h SER 223 N -0.83 0.69 -0.61 5.36 4.64 -1.44 0.09 113.55 121.45 3kl9 h SER 223 Ca -0.03 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 3kl9 h SER 223 Cb 1.12 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 3kl9 h SER 223 CO 0.03 0.54 0.25 0.74 -0.87 0.00 0.00 176.83 177.53 3kl9 h THR 224 N 0.77 1.23 -0.51 2.95 2.02 -1.62 -0.61 112.91 117.13 3kl9 h THR 224 Ca 0.21 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 3kl9 h THR 224 Cb -0.02 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3kl9 h THR 224 CO -0.04 0.28 0.15 0.74 0.37 0.00 0.00 175.52 177.02 3kl9 h THR 225 N 0.85 1.23 0.19 3.16 2.02 -1.16 -0.66 112.91 118.53 3kl9 h THR 225 Ca 0.20 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3kl9 h THR 225 Cb 0.19 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3kl9 h THR 225 CO -0.02 0.29 -0.09 0.50 0.37 0.00 0.00 175.52 176.58 3kl9 h LYS 226 N 0.70 -0.24 -0.01 6.66 3.64 -0.75 -3.31 116.57 123.27 3kl9 h LYS 226 Ca 0.16 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3kl9 h LYS 226 Cb 0.30 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3kl9 h LYS 226 CO -0.00 0.07 -0.30 1.19 -2.27 0.00 0.00 179.45 178.15 3kl9 n PHE 227 N -5.06 0.00 -3.76 1.91 0.99 -0.26 -4.99 117.46 106.29 3kl9 n PHE 227 Ca -0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.05 3kl9 n PHE 227 Cb 0.23 -0.11 0.03 0.00 -1.00 0.00 0.00 39.48 38.62 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 -0.63 -4.07 -4.81 4.37 4.64 -0.26 -4.94 116.55 110.85 3kl9 n ASP 228 Ca 0.12 -1.02 -0.31 0.00 -1.38 0.00 0.00 54.79 52.19 3kl9 n ASP 228 Cb 0.36 -3.25 0.06 0.00 -1.04 0.00 0.00 41.12 37.25 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 -6.18 2.73 0.13 -0.67 0.04 -1.26 -4.84 135.00 124.95 3kl9 s PRO 229 Ca 0.36 0.97 0.16 0.00 0.04 0.00 0.00 61.00 62.53 3kl9 s PRO 229 Cb -0.13 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3kl9 s PRO 229 CO 0.87 -1.25 1.03 0.93 0.04 0.00 0.00 177.00 178.62 3kl9 h GLU 230 N -0.83 0.00 -2.90 4.56 5.08 -1.12 -3.46 114.58 115.91 3kl9 h GLU 230 Ca -0.44 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.77 3kl9 h GLU 230 Cb 1.22 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.21 3kl9 h GLU 230 CO 0.56 0.39 -0.35 0.08 -1.00 0.00 0.00 179.01 178.69 3kl9 s VAL 231 N -2.92 -0.01 -0.06 3.13 1.01 -1.23 -4.07 120.40 116.25 3kl9 s VAL 231 Ca -0.01 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3kl9 s VAL 231 Cb 0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 3kl9 s VAL 231 CO 0.79 0.01 -0.23 0.12 0.00 0.00 0.00 175.10 175.80 3kl9 s PHE 232 N 0.53 2.30 -0.27 5.22 2.19 0.56 -2.56 117.98 125.95 3kl9 s PHE 232 Ca -0.03 -0.72 0.01 0.00 0.33 0.00 0.00 56.93 56.52 3kl9 s PHE 232 Cb -0.04 -1.52 0.05 0.00 -1.31 0.00 0.00 43.02 40.20 3kl9 s PHE 232 CO -0.03 -0.24 -0.07 -0.51 1.83 0.00 0.00 175.22 176.20 3kl9 s LEU 233 N -0.04 3.51 0.45 6.12 1.02 0.19 -2.18 118.68 127.76 3kl9 s LEU 233 Ca -0.06 -1.26 -0.13 0.00 0.02 0.00 0.00 54.13 52.70 3kl9 s LEU 233 Cb -0.14 -1.62 -0.07 0.00 0.02 0.00 0.00 46.19 44.38 3kl9 s LEU 233 CO 0.04 -0.20 0.86 0.00 0.02 0.00 0.00 176.35 177.07 3kl9 s ALA 234 N 1.19 3.23 -0.28 4.21 0.00 0.13 -0.81 121.76 129.42 3kl9 s ALA 234 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 3kl9 s ALA 234 Cb -0.19 -2.88 0.09 0.00 0.00 0.00 0.00 23.12 20.14 3kl9 s ALA 234 CO -0.04 -0.11 0.08 0.08 0.00 0.00 0.00 175.76 175.77 3kl9 s VAL 235 N -2.48 0.80 0.08 0.00 1.01 0.68 0.14 120.40 120.64 3kl9 s VAL 235 Ca 0.54 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 3kl9 s VAL 235 Cb -0.10 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.78 3kl9 s VAL 235 CO 0.31 -0.56 0.32 -0.62 0.00 0.00 0.00 175.10 174.56 3kl9 s ASP 236 N 1.67 -0.13 0.16 3.32 3.68 -1.15 -4.24 116.67 119.98 3kl9 s ASP 236 Ca 0.07 -0.30 0.06 0.00 2.13 0.00 0.00 52.55 54.51 3kl9 s ASP 236 Cb -0.17 0.40 -0.04 0.00 -1.45 0.00 0.00 42.92 41.66 3kl9 s ASP 236 CO -0.22 -0.72 0.04 0.00 0.13 0.00 0.00 175.17 174.40 3kl9 s SER 238 N -2.90 2.34 0.32 0.00 0.01 -0.38 -4.84 113.70 108.25 3kl9 s SER 238 Ca 0.28 -1.35 -0.29 0.00 1.31 0.00 0.00 55.95 55.90 3kl9 s SER 238 Cb -0.10 -0.08 -0.11 0.00 0.21 0.00 0.00 66.02 65.95 3kl9 s SER 238 CO 0.20 -0.58 1.44 -2.84 0.41 0.00 0.00 173.24 171.87 3kl9 s PRO 239 N -3.88 4.22 -0.01 12.44 0.02 -1.26 -0.77 135.00 145.76 3kl9 s PRO 239 Ca 0.35 2.40 -0.20 0.00 0.02 0.00 0.00 61.00 63.58 3kl9 s PRO 239 Cb 0.08 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.51 3kl9 s PRO 239 CO 0.15 -0.42 0.57 0.00 -0.33 0.00 0.00 177.00 176.97 3kl9 s ALA 240 N -0.67 3.50 -1.13 -1.55 0.00 0.17 -4.60 121.76 117.49 3kl9 s ALA 240 Ca 0.55 -0.00 0.12 0.00 0.00 0.00 0.00 51.96 52.62 3kl9 s ALA 240 Cb -0.44 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 19.99 3kl9 s ALA 240 CO 0.53 0.18 0.72 0.41 0.00 0.00 0.00 175.76 177.60 3kl9 n GLY 241 N 2.43 -0.14 0.31 0.00 0.00 -0.65 -4.65 105.19 102.50 3kl9 n GLY 241 Ca -0.07 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 1.45 0.33 1.14 1.61 3.04 -1.26 0.36 116.42 123.08 3kl9 h ASP 242 Ca 0.00 0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 3kl9 h ASP 242 Cb 0.41 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 3kl9 h ASP 242 CO 0.00 0.03 0.00 1.62 -2.04 0.00 0.00 179.24 178.85 3kl9 h VAL 243 N 0.42 0.00 -0.32 4.15 3.04 -1.86 -2.92 116.25 118.76 3kl9 h VAL 243 Ca 0.53 -0.38 -0.03 0.00 -1.01 0.00 0.00 66.70 65.81 3kl9 h VAL 243 Cb 0.95 1.26 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 3kl9 h VAL 243 CO -0.50 0.00 0.01 -1.22 -1.01 0.00 0.00 177.57 174.85 3kl9 n TYR 244 N -2.31 1.15 -0.79 3.17 0.53 0.11 -4.92 117.16 114.10 3kl9 n TYR 244 Ca 0.04 -0.94 0.00 0.00 -1.02 0.00 0.00 57.90 55.98 3kl9 n TYR 244 Cb 0.34 -0.37 0.00 0.00 -1.03 0.00 0.00 39.34 38.28 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 -0.43 0.45 0.69 2.72 0.00 -1.10 -5.00 105.19 102.52 3kl9 n GLY 245 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 3kl9 n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl9 n GLY 246 N -1.82 0.61 3.97 -0.02 0.00 -0.01 -4.96 105.19 102.96 3kl9 n GLY 246 Ca 0.00 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.91 3.23 0.00 1.61 -2.07 -1.26 -3.34 119.66 114.92 3kl9 s GLN 247 Ca 0.12 -0.76 0.00 0.00 -1.82 0.00 0.00 55.36 52.90 3kl9 s GLN 247 Cb -0.01 -2.77 0.00 0.00 -1.09 0.00 0.00 33.01 29.15 3kl9 s GLN 247 CO 0.08 0.10 0.00 0.41 -1.32 0.00 0.00 175.29 174.56 3kl9 n GLY 248 N -1.69 -0.73 3.18 2.60 0.00 -1.26 -1.63 105.19 105.66 3kl9 n GLY 248 Ca -0.03 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.41 2.85 0.12 1.61 2.20 -1.26 -1.50 119.74 123.36 3kl9 s LYS 249 Ca 0.00 -0.95 -0.35 0.00 -0.36 0.00 0.00 55.97 54.30 3kl9 s LYS 249 Cb 0.00 -2.90 -0.16 0.00 -1.51 0.00 0.00 37.83 33.26 3kl9 s LYS 249 CO 0.00 -0.36 1.41 -0.89 -0.36 0.00 0.00 175.35 175.15 3kl9 n ILE 250 N 4.65 0.08 0.00 5.43 -0.00 -1.26 -1.62 119.36 126.63 3kl9 n ILE 250 Ca -0.17 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 3kl9 n ILE 250 Cb 0.47 -1.09 0.00 0.00 -0.00 0.00 0.00 39.64 39.03 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 2.78 2.61 0.95 7.39 0.00 -1.26 -4.92 105.19 112.75 3kl9 n GLY 251 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 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 2.65 0.00 1.61 9.92 -0.64 -4.88 116.55 125.20 3kl9 n ASP 252 Ca 0.00 -2.29 0.00 0.00 -0.53 0.00 0.00 54.79 51.97 3kl9 n ASP 252 Cb 0.00 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 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 0.47 -1.90 3.80 0.44 0.00 -1.26 -3.68 105.19 103.06 3kl9 n GLY 253 Ca 0.11 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 3kl9 n GLY 253 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kl9 s THR 254 N 0.00 3.84 0.05 2.61 -1.32 -0.59 -4.57 115.64 115.66 3kl9 s THR 254 Ca 0.00 0.85 -0.12 0.00 -1.21 0.00 0.00 61.69 61.21 3kl9 s THR 254 Cb 0.00 -3.39 -0.06 0.00 -1.51 0.00 0.00 72.50 67.54 3kl9 s THR 254 CO 0.00 -0.53 0.41 -0.76 -2.21 0.00 0.00 174.62 171.53 3kl9 s LEU 255 N -4.55 4.40 -0.60 9.08 1.43 0.04 -0.94 118.68 127.54 3kl9 s LEU 255 Ca 0.63 0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 54.52 3kl9 s LEU 255 Cb -0.16 -2.82 0.15 0.00 0.03 0.00 0.00 46.19 43.40 3kl9 s LEU 255 CO 0.38 0.24 0.48 -0.63 0.23 0.00 0.00 176.35 177.05 3kl9 s ILE 256 N -1.26 4.50 -1.06 -0.59 -1.09 -0.15 -4.36 121.20 117.19 3kl9 s ILE 256 Ca 0.29 -2.21 -0.19 0.00 -2.23 0.00 0.00 60.65 56.31 3kl9 s ILE 256 Cb -0.15 -3.90 0.11 0.00 -1.58 0.00 0.00 42.46 36.93 3kl9 s ILE 256 CO 0.16 -0.87 1.37 -0.60 -1.23 0.00 0.00 174.94 173.77 3kl9 s ARG 257 N 0.75 3.74 0.36 2.79 3.52 -1.26 -1.70 118.95 127.15 3kl9 s ARG 257 Ca 0.11 -1.75 0.20 0.00 -0.13 0.00 0.00 55.73 54.15 3kl9 s ARG 257 Cb -0.21 -5.16 0.45 0.00 -1.56 0.00 0.00 34.95 28.46 3kl9 s ARG 257 CO -0.03 -1.97 1.62 0.27 -0.81 0.00 0.00 175.30 174.38 3kl9 h PHE 258 N 8.64 0.00 -2.84 5.12 -5.15 -1.94 -3.41 116.94 117.36 3kl9 h PHE 258 Ca 0.24 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.88 3kl9 h PHE 258 Cb 0.97 0.00 -0.25 0.00 0.22 0.00 0.00 35.95 36.89 3kl9 h PHE 258 CO 1.23 0.33 -0.30 -0.47 -2.00 0.00 0.00 178.31 177.10 3kl9 s TYR 259 N -3.27 -0.42 0.16 6.09 6.14 -1.26 -2.43 117.35 122.37 3kl9 s TYR 259 Ca 0.03 1.00 -0.08 0.00 0.64 0.00 0.00 57.07 58.66 3kl9 s TYR 259 Cb 0.08 0.15 -0.01 0.00 0.42 0.00 0.00 41.96 42.60 3kl9 s TYR 259 CO 0.69 -0.21 0.27 0.16 0.64 0.00 0.00 175.55 177.10 3kl9 s ASP 260 N 0.37 0.06 0.07 4.32 1.47 -0.72 -0.93 116.67 121.31 3kl9 s ASP 260 Ca -0.01 -0.90 0.04 0.00 1.18 0.00 0.00 52.55 52.86 3kl9 s ASP 260 Cb -0.04 0.43 0.24 0.00 -0.34 0.00 0.00 42.92 43.21 3kl9 s ASP 260 CO -0.01 -0.88 1.11 -2.65 0.68 0.00 0.00 175.17 173.42 3kl9 n PRO 261 N -0.21 0.03 0.00 2.11 -0.02 -1.26 -1.83 135.00 133.82 3kl9 n PRO 261 Ca -0.07 0.51 0.03 0.00 -2.02 0.00 0.00 63.50 61.95 3kl9 n PRO 261 Cb 0.63 -1.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.45 3kl9 n PRO 261 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kl9 n GLY 262 N -1.44 0.27 3.23 -1.23 0.00 -1.26 -5.04 105.19 99.72 3kl9 n GLY 262 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.64 -0.48 -0.19 1.61 5.65 -0.76 -4.53 115.29 114.96 3kl9 s HIS 263 Ca 0.03 1.08 -0.05 0.00 0.25 0.00 0.00 55.06 56.37 3kl9 s HIS 263 Cb 0.06 0.18 -0.03 0.00 -1.18 0.00 0.00 32.58 31.61 3kl9 s HIS 263 CO 0.29 -0.27 -0.00 -0.51 -0.65 0.00 0.00 174.74 173.60 3kl9 s LEU 264 N 0.89 3.30 -0.25 8.88 1.43 -1.26 -1.76 118.68 129.92 3kl9 s LEU 264 Ca -0.06 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 3kl9 s LEU 264 Cb -0.06 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 3kl9 s LEU 264 CO -0.07 0.09 1.48 -0.22 0.23 0.00 0.00 176.35 177.86 3kl9 s LEU 265 N 0.83 3.91 0.56 1.79 2.96 -1.02 -4.94 118.68 122.77 3kl9 s LEU 265 Ca 0.01 1.47 -0.17 0.00 -0.22 0.00 0.00 54.13 55.21 3kl9 s LEU 265 Cb -0.14 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 3kl9 s LEU 265 CO 0.02 -1.16 1.05 -0.76 -1.32 0.00 0.00 176.35 174.18 3kl9 s LEU 266 N 4.79 3.61 0.25 -0.68 1.43 -1.26 -4.82 118.68 122.01 3kl9 s LEU 266 Ca 0.65 1.85 -0.03 0.00 -1.03 0.00 0.00 54.13 55.57 3kl9 s LEU 266 Cb -0.22 -4.54 0.46 0.00 0.03 0.00 0.00 46.19 41.92 3kl9 s LEU 266 CO 0.26 -1.03 1.78 -0.65 0.23 0.00 0.00 176.35 176.94 3kl9 h PRO 267 N 0.81 0.67 -0.62 1.29 0.11 -1.94 -0.62 132.00 131.70 3kl9 h PRO 267 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kl9 h PRO 267 Cb 1.22 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3kl9 h PRO 267 CO 0.58 0.45 0.39 0.78 -0.21 0.00 0.00 178.00 179.99 3kl9 h GLY 268 N 0.69 0.88 1.77 -0.55 0.00 -1.89 -1.04 103.07 102.94 3kl9 h GLY 268 Ca 0.43 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 3kl9 h GLY 268 CO -0.31 0.34 -0.68 1.98 0.00 0.00 0.00 176.54 177.88 3kl9 h MET 269 N 0.84 0.23 -0.09 4.80 1.85 -1.65 -2.66 114.93 118.25 3kl9 h MET 269 Ca 0.22 -0.18 -0.00 0.00 -0.61 0.00 0.00 59.70 59.13 3kl9 h MET 269 Cb -0.06 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.00 3kl9 h MET 269 CO -0.05 0.82 0.04 -0.22 -0.40 0.00 0.00 176.91 177.10 3kl9 h LYS 270 N 0.16 0.13 -0.22 0.39 3.64 -0.85 -0.42 116.57 119.40 3kl9 h LYS 270 Ca -0.02 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3kl9 h LYS 270 Cb 1.21 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 3kl9 h LYS 270 CO 0.10 0.22 -0.20 -0.44 -2.27 0.00 0.00 179.45 176.86 3kl9 h ASP 271 N 0.00 -0.66 -0.74 4.20 3.32 -1.16 -0.54 116.42 120.85 3kl9 h ASP 271 Ca 0.03 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.23 3kl9 h ASP 271 Cb 0.14 0.31 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 3kl9 h ASP 271 CO -0.00 -0.25 0.48 0.15 -1.72 0.00 0.00 179.24 177.90 3kl9 h PHE 272 N -0.22 0.89 0.04 4.55 3.57 -1.35 0.83 116.94 125.25 3kl9 h PHE 272 Ca 0.13 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3kl9 h PHE 272 Cb 0.41 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3kl9 h PHE 272 CO -0.35 0.53 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.11 3kl9 h LEU 273 N 0.94 -0.21 -0.45 0.59 3.38 -0.57 -1.65 115.31 117.35 3kl9 h LEU 273 Ca 0.29 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 3kl9 h LEU 273 Cb -0.02 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kl9 h LEU 273 CO -0.10 -0.11 -0.66 -0.07 0.09 0.00 0.00 178.44 177.58 3kl9 h LEU 274 N -0.15 0.53 0.24 1.67 3.38 -0.62 -1.18 115.31 119.18 3kl9 h LEU 274 Ca 0.02 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3kl9 h LEU 274 Cb 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kl9 h LEU 274 CO -0.05 1.05 -0.15 0.74 0.09 0.00 0.00 178.44 180.12 3kl9 h THR 275 N 0.33 0.68 -0.47 0.22 2.02 -0.86 -2.06 112.91 112.76 3kl9 h THR 275 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3kl9 h THR 275 Cb 1.22 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 3kl9 h THR 275 CO 0.12 0.00 0.14 0.74 0.37 0.00 0.00 175.52 176.88 3kl9 h THR 276 N -0.37 1.20 -0.53 3.16 2.02 -1.14 -1.61 112.91 115.63 3kl9 h THR 276 Ca -0.02 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 3kl9 h THR 276 Cb 0.31 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3kl9 h THR 276 CO 0.02 0.25 0.08 0.00 0.37 0.00 0.00 175.52 176.24 3kl9 h ALA 277 N 1.47 0.70 -0.14 6.16 0.00 -1.10 -1.59 119.26 124.76 3kl9 h ALA 277 Ca 0.16 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3kl9 h ALA 277 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kl9 h ALA 277 CO -0.01 0.45 -0.34 1.49 0.00 0.00 0.00 179.25 180.84 3kl9 h GLU 278 N 0.76 0.47 -0.62 0.00 4.57 -1.17 -1.06 114.58 117.53 3kl9 h GLU 278 Ca 0.16 -0.33 0.10 0.00 -1.18 0.00 0.00 59.36 58.11 3kl9 h GLU 278 Cb 0.42 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.98 3kl9 h GLU 278 CO 0.01 0.94 0.23 0.93 -1.18 0.00 0.00 179.01 179.94 3kl9 h GLU 279 N 0.08 0.39 -0.16 1.92 5.08 -1.23 -2.96 114.58 117.70 3kl9 h GLU 279 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kl9 h GLU 279 Cb 0.95 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3kl9 h GLU 279 CO 0.07 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.34 3kl9 n ALA 280 N -2.48 2.48 -3.21 3.43 0.00 -0.61 -4.97 120.51 115.16 3kl9 n ALA 280 Ca 0.09 -0.69 -0.15 0.00 0.00 0.00 0.00 53.44 52.69 3kl9 n ALA 280 Cb 0.29 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 18.85 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 1.31 -0.22 3.68 0.00 0.00 -0.81 -4.98 105.19 104.18 3kl9 n GLY 281 Ca 0.17 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3kl9 n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl9 s ILE 282 N -3.28 5.15 -0.09 -0.61 -1.09 -0.47 -5.04 121.20 115.77 3kl9 s ILE 282 Ca 0.11 0.89 -0.30 0.00 -2.23 0.00 0.00 60.65 59.13 3kl9 s ILE 282 Cb -0.05 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 3kl9 s ILE 282 CO 0.59 0.24 1.41 -0.75 -1.23 0.00 0.00 174.94 175.19 3kl9 s LYS 283 N 1.28 4.23 0.10 2.79 2.20 -1.26 -4.86 119.74 124.22 3kl9 s LYS 283 Ca 0.23 1.88 -0.00 0.00 -0.36 0.00 0.00 55.97 57.72 3kl9 s LYS 283 Cb -0.15 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 3kl9 s LYS 283 CO 0.09 -0.71 0.00 1.52 -0.36 0.00 0.00 175.35 175.89 3kl9 s TYR 284 N 3.38 0.75 -0.01 4.03 -0.85 -1.25 -1.54 117.35 121.86 3kl9 s TYR 284 Ca 0.62 -1.11 -0.00 0.00 -0.52 0.00 0.00 57.07 56.06 3kl9 s TYR 284 Cb -0.27 -0.47 0.01 0.00 0.38 0.00 0.00 41.96 41.61 3kl9 s TYR 284 CO 0.22 -0.39 0.02 1.14 -1.52 0.00 0.00 175.55 175.02 3kl9 s GLN 285 N -3.96 -0.00 0.46 -3.49 -2.07 -0.11 -4.83 119.66 105.66 3kl9 s GLN 285 Ca 0.15 0.07 -0.25 0.00 -1.82 0.00 0.00 55.36 53.51 3kl9 s GLN 285 Cb 0.07 -0.06 -0.08 0.00 -1.09 0.00 0.00 33.01 31.85 3kl9 s GLN 285 CO -0.04 -0.05 1.35 0.71 -1.32 0.00 0.00 175.29 175.95 3kl9 s TYR 286 N 0.30 2.57 -0.12 9.60 1.51 -1.26 -0.98 117.35 128.97 3kl9 s TYR 286 Ca -0.02 1.35 -0.04 0.00 -1.01 0.00 0.00 57.07 57.35 3kl9 s TYR 286 Cb -0.04 -3.77 0.06 0.00 -0.11 0.00 0.00 41.96 38.10 3kl9 s TYR 286 CO -0.01 -2.55 0.18 -0.47 -1.11 0.00 0.00 175.55 171.60 3kl9 s TYR 287 N -1.27 -0.20 -0.66 2.71 5.04 -0.69 -4.77 117.35 117.51 3kl9 s TYR 287 Ca 0.62 0.51 -0.17 0.00 -2.44 0.00 0.00 57.07 55.59 3kl9 s TYR 287 Cb -0.40 -0.28 0.13 0.00 0.35 0.00 0.00 41.96 41.76 3kl9 s TYR 287 CO 0.51 -0.36 0.71 0.00 -1.34 0.00 0.00 175.55 175.06 3kl9 s GLY 289 N 3.36 2.98 0.00 0.00 0.00 -0.11 -4.95 107.32 108.60 3kl9 s GLY 289 Ca 0.13 1.11 0.18 0.00 0.00 0.00 0.00 44.72 46.14 3kl9 s GLY 289 CO 0.01 1.71 0.87 0.28 0.00 0.00 0.00 173.10 175.98 3kl9 n LYS 290 N 0.66 1.41 -4.33 2.90 5.02 -1.26 -4.18 118.16 118.39 3kl9 n LYS 290 Ca 0.01 -0.58 -0.17 0.00 -2.02 0.00 0.00 58.31 55.55 3kl9 n LYS 290 Cb 0.44 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.30 1.64 0.63 0.72 0.00 -1.26 -4.71 107.32 102.03 3kl9 s GLY 291 Ca 0.12 -1.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.02 3kl9 s GLY 291 CO 0.55 -1.65 0.88 -0.32 0.00 0.00 0.00 173.10 172.56 3kl9 s GLY 292 N -3.32 1.79 0.26 0.20 0.00 -1.26 -4.63 107.32 100.36 3kl9 s GLY 292 Ca 0.32 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3kl9 s GLY 292 CO 0.10 -1.01 0.13 -0.51 0.00 0.00 0.00 173.10 171.82 3kl9 s THR 293 N -2.95 0.32 0.42 0.90 -4.23 -1.26 -5.04 115.64 103.80 3kl9 s THR 293 Ca 0.61 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.37 3kl9 s THR 293 Cb -0.09 -2.56 0.45 0.00 1.34 0.00 0.00 72.50 71.64 3kl9 s THR 293 CO 0.41 0.00 1.68 0.44 -0.54 0.00 0.00 174.62 176.61 3kl9 h ASP 294 N 2.39 0.32 -0.98 3.99 3.32 -1.94 0.61 116.42 124.13 3kl9 h ASP 294 Ca -0.36 0.12 0.17 0.00 0.02 0.00 0.00 57.03 56.98 3kl9 h ASP 294 Cb 1.25 0.09 -0.10 0.00 0.22 0.00 0.00 39.33 40.78 3kl9 h ASP 294 CO 0.55 -0.08 0.58 0.00 -1.72 0.00 0.00 179.24 178.57 3kl9 h ALA 295 N 1.62 1.57 -0.67 3.45 0.00 -1.96 -0.07 119.26 123.19 3kl9 h ALA 295 Ca 0.73 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.84 3kl9 h ALA 295 Cb 2.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 3kl9 h ALA 295 CO -0.38 0.00 0.45 0.78 0.00 0.00 0.00 179.25 180.10 3kl9 h GLY 296 N 0.79 0.59 0.43 0.00 0.00 -1.10 -1.78 103.07 102.00 3kl9 h GLY 296 Ca 0.54 -0.16 -0.30 0.00 0.00 0.00 0.00 47.33 47.41 3kl9 h GLY 296 CO -0.36 0.07 -1.62 0.00 0.00 0.00 0.00 176.54 174.64 3kl9 h ALA 297 N 1.67 0.31 -0.77 3.60 0.00 -1.40 -3.42 119.26 119.25 3kl9 h ALA 297 Ca 0.32 -1.25 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 3kl9 h ALA 297 Cb 0.72 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 3kl9 h ALA 297 CO -0.09 1.00 0.41 0.00 0.00 0.00 0.00 179.25 180.57 3kl9 h ALA 298 N -0.12 0.99 0.00 0.00 0.00 -0.76 -3.01 119.26 116.36 3kl9 h ALA 298 Ca -0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kl9 h ALA 298 Cb 1.75 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3kl9 h ALA 298 CO -0.00 0.51 0.00 1.12 0.00 0.00 0.00 179.25 180.88 3kl9 h HIS 299 N 1.07 0.00 -0.30 0.00 2.07 -1.48 -2.45 115.15 114.06 3kl9 h HIS 299 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 3kl9 h HIS 299 Cb 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 3kl9 h HIS 299 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3kl9 n LEU 300 N -2.92 2.22 -4.93 6.12 4.77 -1.14 -1.38 117.00 119.75 3kl9 n LEU 300 Ca -0.01 -1.00 -0.26 0.00 -0.03 0.00 0.00 56.01 54.72 3kl9 n LEU 300 Cb 0.20 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3kl9 n LEU 300 CO 0.23 0.50 0.16 -0.54 -1.33 0.00 0.00 177.39 176.41 3kl9 s LYS 301 N -1.61 3.53 2.47 3.23 -0.14 -0.92 -4.77 119.74 121.53 3kl9 s LYS 301 Ca 0.32 -0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 3kl9 s LYS 301 Cb 0.18 -2.68 0.00 0.00 -1.68 0.00 0.00 37.83 33.64 3kl9 s LYS 301 CO 0.25 0.20 0.00 0.09 -0.76 0.00 0.00 175.35 175.13 3kl9 n ASN 302 N -1.37 0.00 -0.67 2.83 5.03 -1.26 -0.95 115.26 118.86 3kl9 n ASN 302 Ca -0.04 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.45 3kl9 n ASN 302 Cb 0.55 0.00 0.13 0.00 -1.02 0.00 0.00 39.78 39.44 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 0.88 0.00 7.41 0.00 -1.26 -4.97 105.19 107.25 3kl9 n GLY 303 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.67 1.59 2.58 -0.02 0.00 -0.13 -5.08 105.19 104.81 3kl9 n GLY 304 Ca 0.09 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.55 0.12 0.20 1.61 1.01 -0.48 -4.96 120.40 117.35 3kl9 s VAL 305 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.79 3kl9 s VAL 305 Cb 0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 36.38 35.12 3kl9 s VAL 305 CO 0.00 -0.71 1.09 -2.65 0.00 0.00 0.00 175.10 172.83 3kl9 n PRO 306 N 5.17 1.16 -3.96 2.72 -0.02 -1.26 -4.09 135.00 134.72 3kl9 n PRO 306 Ca -0.05 0.41 -0.09 0.00 -2.02 0.00 0.00 63.50 61.75 3kl9 n PRO 306 Cb 0.42 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.20 0.20 0.00 2.55 0.01 -1.26 -0.33 113.70 114.68 3kl9 s SER 307 Ca 0.69 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.12 3kl9 s SER 307 Cb -0.82 0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.74 3kl9 s SER 307 CO 0.54 -0.74 0.00 0.35 0.41 0.00 0.00 173.24 173.81 3kl9 n THR 308 N -0.06 0.00 -3.90 1.44 -2.24 -0.92 -4.71 114.28 103.89 3kl9 n THR 308 Ca -0.12 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.37 3kl9 n THR 308 Cb 0.62 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.45 1.23 -0.44 4.28 2.01 -1.26 0.21 115.64 119.21 3kl9 s THR 309 Ca 0.00 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 3kl9 s THR 309 Cb 0.00 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.06 3kl9 s THR 309 CO 0.00 0.00 1.27 -0.63 -0.69 0.00 0.00 174.62 174.58 3kl9 s ILE 310 N 1.56 4.05 0.18 1.82 -1.09 0.12 -4.66 121.20 123.18 3kl9 s ILE 310 Ca -0.02 1.08 0.01 0.00 -2.23 0.00 0.00 60.65 59.48 3kl9 s ILE 310 Cb -0.17 -4.41 -0.04 0.00 -1.58 0.00 0.00 42.46 36.26 3kl9 s ILE 310 CO -0.07 -0.88 0.05 -0.83 -1.23 0.00 0.00 174.94 171.97 3kl9 s GLY 311 N 3.19 1.26 0.08 6.18 0.00 -1.26 -2.91 107.32 113.86 3kl9 s GLY 311 Ca 0.55 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.70 3kl9 s GLY 311 CO 0.32 -1.48 -0.12 0.14 0.00 0.00 0.00 173.10 171.96 3kl9 s VAL 312 N -3.84 1.02 0.13 1.40 1.01 -1.22 -0.78 120.40 118.12 3kl9 s VAL 312 Ca 0.28 -1.41 0.03 0.00 0.00 0.00 0.00 61.98 60.88 3kl9 s VAL 312 Cb 0.07 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3kl9 s VAL 312 CO 0.06 -0.35 0.17 0.00 0.00 0.00 0.00 175.10 174.98 3kl9 s ALA 314 N -1.64 -0.02 0.19 0.00 0.00 0.05 -4.72 121.76 115.61 3kl9 s ALA 314 Ca 0.32 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 3kl9 s ALA 314 Cb -0.11 0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.01 3kl9 s ALA 314 CO 0.25 -0.12 1.03 1.03 0.00 0.00 0.00 175.76 177.94 3kl9 s ARG 315 N -0.98 4.69 -1.14 0.00 0.52 -0.13 0.43 118.95 122.35 3kl9 s ARG 315 Ca -0.11 1.61 -0.00 0.00 -0.52 0.00 0.00 55.73 56.71 3kl9 s ARG 315 Cb -0.07 -3.29 -0.00 0.00 0.52 0.00 0.00 34.95 32.11 3kl9 s ARG 315 CO -0.00 0.24 0.95 0.66 0.02 0.00 0.00 175.30 177.16 3kl9 n TYR 316 N 2.10 -2.08 -1.07 -0.53 4.01 -1.26 -1.72 117.16 116.60 3kl9 n TYR 316 Ca 0.01 0.89 -0.35 0.00 -0.16 0.00 0.00 57.90 58.30 3kl9 n TYR 316 Cb 0.47 -4.93 0.10 0.00 -0.31 0.00 0.00 39.34 34.67 3kl9 n TYR 316 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3kl9 n ILE 317 N -3.97 1.23 -3.50 -0.72 -0.00 -1.26 -3.76 119.36 107.38 3kl9 n ILE 317 Ca -0.27 -0.29 -0.20 0.00 -0.00 0.00 0.00 62.75 61.98 3kl9 n ILE 317 Cb 0.66 -0.78 0.08 0.00 -0.00 0.00 0.00 39.64 39.60 3kl9 n ILE 317 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 3kl9 n HIS 318 N -2.96 -2.51 -3.68 1.39 8.25 -1.26 -5.00 115.22 109.45 3kl9 n HIS 318 Ca 0.09 0.97 -0.06 0.00 -0.26 0.00 0.00 57.72 58.46 3kl9 n HIS 318 Cb 0.51 -5.05 -0.01 0.00 1.12 0.00 0.00 29.99 26.57 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 -3.06 -0.84 0.14 0.41 3.41 -1.25 -4.74 113.62 107.70 3kl9 n SER 319 Ca -0.15 -1.91 0.05 0.00 -0.26 0.00 0.00 58.87 56.60 3kl9 n SER 319 Cb 0.62 1.49 0.04 0.00 -0.26 0.00 0.00 64.21 66.10 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 1.51 0.00 -3.18 7.33 3.86 -1.87 -3.38 115.15 119.41 3kl9 h HIS 320 Ca -0.15 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.44 3kl9 h HIS 320 Cb 0.61 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.66 3kl9 h HIS 320 CO 0.00 0.38 -0.62 -0.65 0.86 0.00 0.00 177.93 177.90 3kl9 s GLN 321 N -3.03 2.12 -0.19 2.45 -1.52 -1.26 -3.41 119.66 114.83 3kl9 s GLN 321 Ca 0.03 -2.90 -0.08 0.00 -1.95 0.00 0.00 55.36 50.46 3kl9 s GLN 321 Cb 0.07 -3.24 -0.04 0.00 -0.22 0.00 0.00 33.01 29.58 3kl9 s GLN 321 CO 0.74 -1.20 0.08 0.99 -0.25 0.00 0.00 175.29 175.65 3kl9 s THR 322 N -0.78 5.00 -0.10 -0.19 2.01 0.93 -4.69 115.64 117.82 3kl9 s THR 322 Ca 0.21 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.27 3kl9 s THR 322 Cb -0.15 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3kl9 s THR 322 CO -0.08 0.46 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.93 3kl9 s LEU 323 N 0.32 2.60 0.18 4.42 0.20 -0.70 -1.26 118.68 124.44 3kl9 s LEU 323 Ca 0.05 -0.33 -0.19 0.00 0.69 0.00 0.00 54.13 54.35 3kl9 s LEU 323 Cb -0.12 -1.56 0.04 0.00 -0.43 0.00 0.00 46.19 44.12 3kl9 s LEU 323 CO -0.01 0.22 0.53 -0.72 -0.29 0.00 0.00 176.35 176.08 3kl9 s TYR 324 N 0.03 -0.25 -0.15 5.38 -0.85 -0.53 -0.95 117.35 120.03 3kl9 s TYR 324 Ca -0.05 -0.06 -0.10 0.00 -0.52 0.00 0.00 57.07 56.34 3kl9 s TYR 324 Cb -0.15 0.43 -0.05 0.00 0.38 0.00 0.00 41.96 42.58 3kl9 s TYR 324 CO 0.05 -0.87 0.18 0.00 -1.52 0.00 0.00 175.55 173.38 3kl9 s ALA 325 N -3.83 3.74 0.20 9.51 0.00 -1.26 -0.34 121.76 129.78 3kl9 s ALA 325 Ca 0.06 -0.60 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 3kl9 s ALA 325 Cb -0.01 -2.15 0.13 0.00 0.00 0.00 0.00 23.12 21.09 3kl9 s ALA 325 CO -0.07 0.33 1.65 0.52 0.00 0.00 0.00 175.76 178.20 3kl9 h MET 326 N 5.94 0.98 -0.96 0.00 2.86 -1.77 -3.05 114.93 118.91 3kl9 h MET 326 Ca -0.47 -0.33 0.14 0.00 -2.06 0.00 0.00 59.70 56.99 3kl9 h MET 326 Cb 1.19 -0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.67 3kl9 h MET 326 CO 0.69 1.00 0.58 0.22 1.06 0.00 0.00 176.91 180.45 3kl9 h ASP 327 N 0.88 0.80 -0.17 1.22 3.58 -1.94 -1.77 116.42 119.02 3kl9 h ASP 327 Ca 0.15 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3kl9 h ASP 327 Cb 0.60 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 3kl9 h ASP 327 CO 0.04 0.37 0.11 0.44 -2.88 0.00 0.00 179.24 177.32 3kl9 h ASP 328 N 0.84 0.20 -0.55 2.28 3.32 -1.87 -1.16 116.42 119.48 3kl9 h ASP 328 Ca 0.51 -0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.65 3kl9 h ASP 328 Cb 0.64 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.03 3kl9 h ASP 328 CO -0.32 0.16 -0.12 0.15 -1.72 0.00 0.00 179.24 177.39 3kl9 h PHE 329 N 0.22 -0.26 -0.67 4.55 3.57 -1.35 0.22 116.94 123.23 3kl9 h PHE 329 Ca 0.06 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3kl9 h PHE 329 Cb -0.01 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3kl9 h PHE 329 CO -0.06 -0.23 0.44 -0.07 -2.23 0.00 0.00 178.31 176.16 3kl9 h LEU 330 N 0.01 0.78 -0.32 0.59 3.38 -0.88 0.18 115.31 119.05 3kl9 h LEU 330 Ca 0.27 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3kl9 h LEU 330 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kl9 h LEU 330 CO -0.56 0.57 0.13 -0.33 0.09 0.00 0.00 178.44 178.34 3kl9 h GLU 331 N 0.91 0.48 0.31 1.13 4.39 -0.62 -1.22 114.58 119.96 3kl9 h GLU 331 Ca 0.25 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 3kl9 h GLU 331 Cb -0.09 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3kl9 h GLU 331 CO -0.05 0.48 -0.15 0.00 -1.16 0.00 0.00 179.01 178.13 3kl9 h ALA 332 N 0.97 -0.42 -0.32 3.43 0.00 -0.10 -1.81 119.26 121.01 3kl9 h ALA 332 Ca 0.11 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3kl9 h ALA 332 Cb 0.18 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3kl9 h ALA 332 CO -0.01 -0.72 -0.12 0.37 0.00 0.00 0.00 179.25 178.77 3kl9 h GLN 333 N -0.45 -0.06 -0.90 0.00 5.75 -0.63 -0.40 115.11 118.42 3kl9 h GLN 333 Ca -0.04 0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.59 3kl9 h GLN 333 Cb 0.34 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.84 3kl9 h GLN 333 CO 0.07 -0.04 0.58 0.00 -2.65 0.00 0.00 178.83 176.79 3kl9 h ALA 334 N 1.23 1.73 -0.16 3.38 0.00 -1.08 -1.48 119.26 122.87 3kl9 h ALA 334 Ca 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kl9 h ALA 334 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kl9 h ALA 334 CO -0.36 0.04 -0.09 0.35 0.00 0.00 0.00 179.25 179.20 3kl9 h PHE 335 N 0.79 0.40 -0.43 0.00 -0.00 -0.25 -2.46 116.94 114.99 3kl9 h PHE 335 Ca 0.44 -0.10 0.00 0.00 -0.00 0.00 0.00 57.97 58.32 3kl9 h PHE 335 Cb 0.59 -0.09 -0.02 0.00 -0.00 0.00 0.00 35.95 36.43 3kl9 h PHE 335 CO -0.00 0.67 0.28 1.25 -0.00 0.00 0.00 178.31 180.52 3kl9 h LEU 336 N 0.02 0.49 -0.14 0.59 6.46 -0.50 -0.31 115.31 121.92 3kl9 h LEU 336 Ca 0.03 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.82 3kl9 h LEU 336 Cb 0.57 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 3kl9 h LEU 336 CO 0.03 0.35 -0.08 1.56 -0.62 0.00 0.00 178.44 179.68 3kl9 h GLN 337 N 0.58 -0.07 -0.09 1.25 4.20 -1.30 -1.33 115.11 118.35 3kl9 h GLN 337 Ca 0.16 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.89 3kl9 h GLN 337 Cb -0.06 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3kl9 h GLN 337 CO -0.04 -0.04 -0.01 0.00 -0.67 0.00 0.00 178.83 178.07 3kl9 h ALA 338 N 1.06 0.07 0.04 3.87 0.00 -1.03 -1.60 119.26 121.67 3kl9 h ALA 338 Ca 0.08 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kl9 h ALA 338 Cb 0.19 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kl9 h ALA 338 CO -0.19 -0.47 -0.16 -0.07 0.00 0.00 0.00 179.25 178.36 3kl9 h LEU 339 N 0.02 -0.47 -1.50 0.00 3.38 -0.84 -0.73 115.31 115.17 3kl9 h LEU 339 Ca 0.04 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3kl9 h LEU 339 Cb 0.05 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kl9 h LEU 339 CO -0.08 -0.23 -0.25 -0.37 0.09 0.00 0.00 178.44 177.60 3kl9 h VAL 340 N -0.29 0.92 -0.00 1.22 -1.51 -1.19 -1.47 116.25 113.93 3kl9 h VAL 340 Ca 0.04 -0.94 -0.14 0.00 -1.23 0.00 0.00 66.70 64.43 3kl9 h VAL 340 Cb 0.34 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 3kl9 h VAL 340 CO -0.13 0.24 -0.68 0.11 -1.23 0.00 0.00 177.57 175.89 3kl9 h LYS 341 N 0.00 0.00 0.00 5.19 1.57 -0.76 -3.19 116.57 119.39 3kl9 h LYS 341 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kl9 h LYS 341 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3kl9 h LYS 341 CO 0.03 0.68 -0.64 -0.22 -0.57 0.00 0.00 179.45 178.72 3kl9 h LYS 342 N 0.00 0.00 -6.25 3.15 3.64 -0.50 -3.44 116.57 113.17 3kl9 h LYS 342 Ca -0.01 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 3kl9 h LYS 342 Cb 1.19 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 3kl9 h LYS 342 CO 0.09 0.00 0.95 -0.51 -2.27 0.00 0.00 179.45 177.71 3kl9 s LEU 343 N -4.61 4.02 0.36 5.20 1.43 -0.61 -4.70 118.68 119.76 3kl9 s LEU 343 Ca 0.05 1.45 -0.09 0.00 -1.03 0.00 0.00 54.13 54.51 3kl9 s LEU 343 Cb 0.12 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.83 3kl9 s LEU 343 CO 0.73 -0.95 0.62 1.51 0.23 0.00 0.00 176.35 178.49 3kl9 s ASP 344 N 2.51 0.45 0.32 2.29 3.84 -1.26 -3.16 116.67 121.65 3kl9 s ASP 344 Ca 0.56 -1.29 0.08 0.00 -0.00 0.00 0.00 52.55 51.90 3kl9 s ASP 344 Cb -0.19 0.75 0.90 0.00 -1.38 0.00 0.00 42.92 42.99 3kl9 s ASP 344 CO 0.20 -1.47 1.63 -0.09 -0.00 0.00 0.00 175.17 175.44 3kl9 h ARG 345 N 2.06 0.16 0.42 2.11 9.65 -1.87 -0.94 114.38 125.98 3kl9 h ARG 345 Ca -0.30 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.55 3kl9 h ARG 345 Cb 1.24 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3kl9 h ARG 345 CO 0.39 0.11 -0.20 0.77 2.80 0.00 0.00 179.97 183.84 3kl9 h SER 346 N 0.17 -0.48 0.11 -3.80 0.02 -1.95 -2.62 113.55 105.00 3kl9 h SER 346 Ca 0.65 -0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 61.35 3kl9 h SER 346 Cb 1.43 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 3kl9 h SER 346 CO -0.71 -0.23 -0.67 0.71 -1.14 0.00 0.00 176.83 174.80 3kl9 h THR 347 N -0.71 1.34 -0.09 -2.27 1.35 -1.57 -1.84 112.91 109.12 3kl9 h THR 347 Ca -0.06 -1.98 -0.13 0.00 -0.55 0.00 0.00 66.41 63.69 3kl9 h THR 347 Cb 0.51 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 3kl9 h THR 347 CO 0.09 0.61 -0.52 -0.37 -0.25 0.00 0.00 175.52 175.09 3kl9 h VAL 348 N 0.37 1.35 -0.66 6.82 -1.51 -1.30 0.15 116.25 121.49 3kl9 h VAL 348 Ca -0.02 -1.78 -0.05 0.00 -1.23 0.00 0.00 66.70 63.62 3kl9 h VAL 348 Cb 1.24 1.86 -0.03 0.00 -2.13 0.00 0.00 31.29 32.23 3kl9 h VAL 348 CO 0.12 0.53 0.20 0.44 -1.23 0.00 0.00 177.57 177.63 3kl9 h ASP 349 N 0.19 0.96 -0.65 4.19 5.19 -1.32 0.67 116.42 125.66 3kl9 h ASP 349 Ca 0.01 -0.21 -0.06 0.00 -0.62 0.00 0.00 57.03 56.14 3kl9 h ASP 349 Cb 0.98 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.21 3kl9 h ASP 349 CO 0.08 0.92 0.17 0.25 -3.12 0.00 0.00 179.24 177.54 3kl9 h LEU 350 N 0.96 0.99 -1.11 1.55 6.46 -1.01 -1.16 115.31 121.98 3kl9 h LEU 350 Ca 0.21 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 3kl9 h LEU 350 Cb 0.30 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 3kl9 h LEU 350 CO -0.01 0.95 0.42 0.40 -0.62 0.00 0.00 178.44 179.59 3kl9 h ILE 351 N 1.00 1.22 -0.78 4.05 2.04 -0.60 -2.88 117.51 121.57 3kl9 h ILE 351 Ca 0.21 -0.53 -0.31 0.00 1.00 0.00 0.00 64.86 65.23 3kl9 h ILE 351 Cb 0.35 0.19 -0.18 0.00 -0.74 0.00 0.00 36.82 36.43 3kl9 h ILE 351 CO 0.00 0.24 0.39 0.29 0.00 0.00 0.00 178.15 179.07 3kl9 n LYS 352 N -4.36 2.99 -2.24 2.37 5.02 0.20 -4.45 118.16 117.68 3kl9 n LYS 352 Ca 0.08 -2.79 -0.40 0.00 -2.02 0.00 0.00 58.31 53.18 3kl9 n LYS 352 Cb 0.09 -2.12 -0.03 0.00 -0.02 0.00 0.00 35.03 32.95 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 -2.87 1.94 -0.41 2.13 2.46 -0.52 -4.98 115.29 113.04 3kl9 s HIS 353 Ca 0.51 0.49 0.03 0.00 0.47 0.00 0.00 55.06 56.56 3kl9 s HIS 353 Cb 0.42 -4.29 0.03 0.00 -0.13 0.00 0.00 32.58 28.60 3kl9 s HIS 353 CO 0.12 -2.22 0.60 0.66 -2.47 0.00 0.00 174.74 171.43