#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ky9 h LEU 3 N 0.00 0.00 -0.80 -1.84 5.85 -2.04 -2.94 115.31 113.53 3ky9 h LEU 3 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 3ky9 h LEU 3 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3ky9 h LEU 3 CO 0.00 0.97 -0.50 4.11 -0.34 0.00 0.00 178.44 182.69 3ky9 h TRP 4 N 0.00 0.00 -0.15 1.25 5.08 -1.99 -1.29 115.95 118.85 3ky9 h TRP 4 Ca -0.12 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.78 3ky9 h TRP 4 Cb 1.85 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 28.00 3ky9 h TRP 4 CO 0.00 0.50 -0.21 0.00 -1.28 0.00 0.00 178.44 177.45 3ky9 h ARG 5 N 0.00 0.26 -0.24 0.12 2.47 -1.99 -1.08 114.38 113.93 3ky9 h ARG 5 Ca -0.00 -0.08 -0.14 0.00 -1.26 0.00 0.00 59.98 58.49 3ky9 h ARG 5 Cb 1.02 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3ky9 h ARG 5 CO 0.06 0.46 -0.41 1.96 0.56 0.00 0.00 179.97 182.61 3ky9 h GLN 6 N 0.24 0.70 0.16 0.04 4.20 -1.24 -2.33 115.11 116.88 3ky9 h GLN 6 Ca 0.04 -0.43 0.01 0.00 0.06 0.00 0.00 58.65 58.33 3ky9 h GLN 6 Cb 0.51 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 3ky9 h GLN 6 CO 0.03 1.06 -0.25 0.00 -0.67 0.00 0.00 178.83 179.00 3ky9 h THR 8 N -0.49 0.00 -0.88 0.00 2.02 -1.19 0.48 112.91 112.86 3ky9 h THR 8 Ca 0.02 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.42 3ky9 h THR 8 Cb 0.49 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.77 3ky9 h THR 8 CO -0.11 0.00 0.35 -0.74 0.37 0.00 0.00 175.52 175.38 3ky9 h HIS 9 N -0.28 0.57 -0.34 3.16 6.17 -1.28 0.17 115.15 123.32 3ky9 h HIS 9 Ca 0.05 0.04 -0.11 0.00 0.71 0.00 0.00 60.37 61.06 3ky9 h HIS 9 Cb 0.42 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.23 3ky9 h HIS 9 CO -0.70 -0.08 -0.23 2.35 0.71 0.00 0.00 177.93 179.98 3ky9 h TRP 10 N 0.35 0.88 -0.48 5.26 7.01 0.31 -0.44 115.95 128.85 3ky9 h TRP 10 Ca 0.55 -0.24 -0.03 0.00 2.11 0.00 0.00 58.89 61.28 3ky9 h TRP 10 Cb 1.05 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.90 3ky9 h TRP 10 CO -0.17 0.98 0.15 -0.07 -2.79 0.00 0.00 178.44 176.55 3ky9 h LEU 11 N 0.52 0.64 -0.74 0.65 3.38 0.21 -0.28 115.31 119.70 3ky9 h LEU 11 Ca 0.07 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3ky9 h LEU 11 Cb 0.79 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3ky9 h LEU 11 CO 0.06 0.61 0.00 0.40 0.09 0.00 0.00 178.44 179.60 3ky9 h ILE 12 N 0.69 1.26 0.00 1.22 2.04 -0.39 -2.05 117.51 120.28 3ky9 h ILE 12 Ca 0.16 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 3ky9 h ILE 12 Cb 0.20 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3ky9 h ILE 12 CO -0.01 0.40 -0.23 1.56 0.00 0.00 0.00 178.15 179.87 3ky9 h GLN 13 N 0.89 0.00 -0.17 2.37 1.08 -0.04 -1.55 115.11 117.69 3ky9 h GLN 13 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3ky9 h GLN 13 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3ky9 h GLN 13 CO 0.03 0.23 0.00 0.00 -0.95 0.00 0.00 178.83 178.13 3ky9 n ARG 15 N 0.02 -1.35 -0.05 0.00 1.74 -0.58 -4.87 116.66 111.57 3ky9 n ARG 15 Ca 0.09 0.99 -0.09 0.00 -0.77 0.00 0.00 57.85 58.08 3ky9 n ARG 15 Cb 0.19 -5.39 -0.15 0.00 -1.02 0.00 0.00 32.46 26.09 3ky9 n ARG 15 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ky9 n VAL 16 N -3.30 1.48 -4.37 1.55 0.31 -0.79 -4.80 118.33 108.41 3ky9 n VAL 16 Ca -0.20 -0.81 -0.33 0.00 -0.01 0.00 0.00 64.34 62.99 3ky9 n VAL 16 Cb 0.63 -0.78 -0.16 0.00 -0.91 0.00 0.00 33.84 32.62 3ky9 n VAL 16 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3ky9 s LEU 17 N -5.81 2.11 0.16 7.52 2.96 -1.23 -4.64 118.68 119.76 3ky9 s LEU 17 Ca -0.07 -0.63 -0.32 0.00 -0.22 0.00 0.00 54.13 52.90 3ky9 s LEU 17 Cb 0.07 -1.46 -0.11 0.00 0.50 0.00 0.00 46.19 45.20 3ky9 s LEU 17 CO 0.83 0.04 1.68 -2.84 -1.32 0.00 0.00 176.35 174.73 3ky9 s PRO 18 N 1.07 4.17 0.00 0.98 0.02 -1.26 -4.60 135.00 135.38 3ky9 s PRO 18 Ca -0.01 2.49 0.01 0.00 0.02 0.00 0.00 61.00 63.52 3ky9 s PRO 18 Cb -0.14 -3.25 0.07 0.00 0.02 0.00 0.00 34.50 31.20 3ky9 s PRO 18 CO -0.08 -0.72 0.30 -0.35 -0.33 0.00 0.00 177.00 175.83 3ky9 n PRO 19 N 4.45 0.13 -0.16 5.54 -0.04 -1.26 -0.56 135.00 143.10 3ky9 n PRO 19 Ca 0.15 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.71 3ky9 n PRO 19 Cb 0.37 -1.14 0.17 0.00 -0.04 0.00 0.00 33.50 32.86 3ky9 n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ky9 n SER 20 N -0.64 2.71 -4.90 3.54 3.41 -1.26 -4.96 113.62 111.51 3ky9 n SER 20 Ca 0.01 -3.05 -0.29 0.00 -0.26 0.00 0.00 58.87 55.28 3ky9 n SER 20 Cb 0.00 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 3ky9 n SER 20 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3ky9 s HIS 21 N -2.83 3.47 0.59 7.33 5.04 0.28 -4.95 115.29 124.22 3ky9 s HIS 21 Ca 0.34 0.70 0.29 0.00 -1.54 0.00 0.00 55.06 54.85 3ky9 s HIS 21 Cb 0.29 -2.15 1.60 0.00 0.04 0.00 0.00 32.58 32.36 3ky9 s HIS 21 CO 0.04 0.15 2.02 0.07 -2.34 0.00 0.00 174.74 174.69 3ky9 h ARG 22 N 1.71 0.00 0.00 2.88 0.11 -1.97 1.15 114.38 118.27 3ky9 h ARG 22 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 3ky9 h ARG 22 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 3ky9 h ARG 22 CO 0.66 0.00 0.00 1.33 0.10 0.00 0.00 179.97 182.06 3ky9 n VAL 23 N -3.72 0.04 -0.02 0.08 0.24 -1.26 -2.97 118.33 110.72 3ky9 n VAL 23 Ca 0.04 0.01 -0.11 0.00 -2.04 0.00 0.00 64.34 62.24 3ky9 n VAL 23 Cb 0.45 -0.63 -0.14 0.00 -1.47 0.00 0.00 33.84 32.05 3ky9 n VAL 23 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3ky9 n THR 24 N -1.04 1.63 -2.30 3.34 -1.04 0.40 -4.84 114.28 110.43 3ky9 n THR 24 Ca 0.17 -0.77 -0.36 0.00 -2.04 0.00 0.00 64.05 61.05 3ky9 n THR 24 Cb 0.10 -1.14 -0.01 0.00 -1.82 0.00 0.00 70.33 67.46 3ky9 n THR 24 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 3ky9 s TRP 25 N -2.58 2.82 0.15 -1.42 0.51 -1.16 -4.93 118.94 112.32 3ky9 s TRP 25 Ca -0.08 1.55 -0.34 0.00 -2.12 0.00 0.00 56.10 55.10 3ky9 s TRP 25 Cb 0.08 -3.30 -0.15 0.00 -0.81 0.00 0.00 33.47 29.29 3ky9 s TRP 25 CO 0.81 -1.43 1.50 0.39 -0.51 0.00 0.00 176.95 177.72 3ky9 n GLU 26 N -0.87 1.89 0.00 4.98 -0.58 -1.26 -1.23 120.64 123.57 3ky9 n GLU 26 Ca 0.09 0.68 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 3ky9 n GLU 26 Cb 0.50 -2.41 0.00 0.00 -0.57 0.00 0.00 31.44 28.96 3ky9 n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ky9 n GLY 27 N 3.10 2.78 3.50 0.62 0.00 -1.26 -5.04 105.19 108.89 3ky9 n GLY 27 Ca 0.17 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.58 3ky9 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ky9 n ALA 28 N -0.87 -2.64 -1.99 4.61 0.00 -0.36 -4.93 120.51 114.32 3ky9 n ALA 28 Ca 0.00 0.54 -0.28 0.00 0.00 0.00 0.00 53.44 53.70 3ky9 n ALA 28 Cb 0.00 -1.77 0.04 0.00 0.00 0.00 0.00 19.45 17.71 3ky9 n ALA 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ky9 s GLN 29 N 1.20 2.94 0.20 0.00 -1.52 -1.26 -4.98 119.66 116.23 3ky9 s GLN 29 Ca 0.94 0.26 -0.11 0.00 -1.95 0.00 0.00 55.36 54.50 3ky9 s GLN 29 Cb -1.33 -2.15 0.13 0.00 -0.22 0.00 0.00 33.01 29.45 3ky9 s GLN 29 CO 0.65 -0.84 1.84 0.28 -0.25 0.00 0.00 175.29 176.98 3ky9 h VAL 30 N -0.40 1.20 -0.67 1.09 2.07 -2.01 -2.89 116.25 114.65 3ky9 h VAL 30 Ca -0.45 -0.43 0.19 0.00 0.82 0.00 0.00 66.70 66.84 3ky9 h VAL 30 Cb 1.25 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3ky9 h VAL 30 CO 0.62 0.20 0.50 0.00 0.02 0.00 0.00 177.57 178.91 3ky9 h GLU 32 N 0.00 0.16 0.26 0.00 5.08 -1.90 0.12 114.58 118.30 3ky9 h GLU 32 Ca 0.32 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3ky9 h GLU 32 Cb 1.31 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3ky9 h GLU 32 CO -0.00 0.57 -0.12 1.25 -1.00 0.00 0.00 179.01 179.71 3ky9 h LEU 33 N 0.14 -0.29 -1.04 1.33 5.85 -1.08 -2.88 115.31 117.33 3ky9 h LEU 33 Ca 0.01 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.54 3ky9 h LEU 33 Cb 0.83 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3ky9 h LEU 33 CO 0.06 0.07 0.65 0.00 -0.34 0.00 0.00 178.44 178.88 3ky9 h ALA 34 N -0.09 1.31 -0.76 1.25 0.00 -1.39 -0.40 119.26 119.18 3ky9 h ALA 34 Ca -0.04 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.95 3ky9 h ALA 34 Cb 0.48 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3ky9 h ALA 34 CO 0.06 0.63 0.51 0.37 0.00 0.00 0.00 179.25 180.82 3ky9 h GLN 35 N 1.31 0.47 0.00 0.00 5.75 -0.78 -1.14 115.11 120.71 3ky9 h GLN 35 Ca 0.36 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 3ky9 h GLN 35 Cb -0.13 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.32 3ky9 h GLN 35 CO -0.09 0.31 -0.35 0.00 -2.65 0.00 0.00 178.83 176.05 3ky9 h ALA 36 N 1.64 0.80 0.00 3.38 0.00 -0.86 -3.29 119.26 120.93 3ky9 h ALA 36 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3ky9 h ALA 36 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3ky9 h ALA 36 CO -0.13 0.00 -1.10 1.28 0.00 0.00 0.00 179.25 179.30 3ky9 n LEU 37 N -2.58 0.61 0.24 0.00 4.77 -0.87 -4.68 117.00 114.49 3ky9 n LEU 37 Ca 0.03 -0.37 0.12 0.00 -0.03 0.00 0.00 56.01 55.77 3ky9 n LEU 37 Cb 0.49 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 42.14 3ky9 n LEU 37 CO 0.35 0.15 0.87 0.08 -1.33 0.00 0.00 177.39 177.51 3ky9 h ARG 38 N 0.00 0.00 -5.88 3.23 0.11 -1.29 -3.34 114.38 107.21 3ky9 h ARG 38 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 3ky9 h ARG 38 Cb 0.53 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.54 3ky9 h ARG 38 CO 0.00 0.16 0.05 0.16 0.10 0.00 0.00 179.97 180.44 3ky9 s ASP 39 N -6.08 6.85 0.00 0.08 1.47 -1.26 -4.62 116.67 113.12 3ky9 s ASP 39 Ca -0.00 1.02 0.00 0.00 1.18 0.00 0.00 52.55 54.75 3ky9 s ASP 39 Cb 0.11 -2.37 0.00 0.00 -0.34 0.00 0.00 42.92 40.32 3ky9 s ASP 39 CO 0.61 -0.13 0.51 0.61 0.68 0.00 0.00 175.17 177.45 3ky9 n GLY 40 N 3.30 -0.40 0.51 2.12 0.00 -1.25 -4.13 105.19 105.34 3ky9 n GLY 40 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 3ky9 n GLY 40 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ky9 h VAL 41 N 0.00 0.00 -1.00 1.61 2.07 -1.87 -1.26 116.25 115.80 3ky9 h VAL 41 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 3ky9 h VAL 41 Cb 0.03 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.71 3ky9 h VAL 41 CO 0.00 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.14 3ky9 h LEU 42 N -1.28 0.88 -0.80 2.57 3.38 -1.84 -1.05 115.31 117.18 3ky9 h LEU 42 Ca -0.13 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ky9 h LEU 42 Cb 0.99 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 3ky9 h LEU 42 CO 0.19 0.42 0.50 -0.07 0.09 0.00 0.00 178.44 179.57 3ky9 h LEU 43 N 0.92 0.94 -0.41 1.67 3.38 -1.80 0.49 115.31 120.51 3ky9 h LEU 43 Ca 0.52 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.37 3ky9 h LEU 43 Cb 0.62 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3ky9 h LEU 43 CO -0.30 0.71 -0.04 0.00 0.09 0.00 0.00 178.44 178.90 3ky9 h GLN 45 N 0.56 0.73 -0.57 0.00 5.75 -0.71 -2.73 115.11 118.13 3ky9 h GLN 45 Ca 0.11 -0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.64 3ky9 h GLN 45 Cb 0.54 -0.15 -0.11 0.00 1.07 0.00 0.00 27.48 28.82 3ky9 h GLN 45 CO 0.03 0.53 -0.39 1.25 -2.65 0.00 0.00 178.83 177.59 3ky9 h LEU 46 N 0.72 -1.34 -0.45 -2.39 5.85 0.22 0.34 115.31 118.27 3ky9 h LEU 46 Ca 0.19 0.24 0.06 0.00 0.84 0.00 0.00 57.88 59.21 3ky9 h LEU 46 Cb -0.01 0.63 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 3ky9 h LEU 46 CO -0.04 -0.32 0.13 -0.07 -0.34 0.00 0.00 178.44 177.80 3ky9 h LEU 47 N -0.20 0.10 -1.11 2.25 3.38 -1.18 -2.17 115.31 116.38 3ky9 h LEU 47 Ca 0.20 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ky9 h LEU 47 Cb 0.56 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3ky9 h LEU 47 CO -0.68 0.09 0.53 0.78 0.09 0.00 0.00 178.44 179.25 3ky9 h ASN 48 N 0.28 1.00 0.13 -0.43 2.35 -0.88 0.15 115.58 118.18 3ky9 h ASN 48 Ca 0.21 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3ky9 h ASN 48 Cb 0.24 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3ky9 h ASN 48 CO -0.24 0.75 0.00 0.78 -1.65 0.00 0.00 177.43 177.07 3ky9 h ASN 49 N 1.16 0.00 0.00 5.81 2.35 -0.34 -2.75 115.58 121.81 3ky9 h ASN 49 Ca 0.31 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.62 3ky9 h ASN 49 Cb -0.09 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.22 3ky9 h ASN 49 CO -0.06 0.00 -2.42 0.18 -1.65 0.00 0.00 177.43 173.48 3ky9 n LEU 50 N -3.03 2.07 -4.01 1.61 4.77 -0.69 -4.78 117.00 112.95 3ky9 n LEU 50 Ca -0.02 0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 55.94 3ky9 n LEU 50 Cb 0.10 -0.85 -0.14 0.00 -2.33 0.00 0.00 43.42 40.20 3ky9 n LEU 50 CO 0.20 0.59 -0.25 -0.22 -1.33 0.00 0.00 177.39 176.39 3ky9 s LEU 51 N -7.43 4.67 0.16 2.23 0.20 0.44 -4.93 118.68 114.03 3ky9 s LEU 51 Ca -0.37 -2.48 -0.33 0.00 0.69 0.00 0.00 54.13 51.64 3ky9 s LEU 51 Cb 0.13 -1.66 -0.15 0.00 -0.43 0.00 0.00 46.19 44.08 3ky9 s LEU 51 CO 0.52 -0.34 1.25 -0.81 -0.29 0.00 0.00 176.35 176.68 3ky9 n PRO 52 N 3.85 1.33 -1.65 0.98 -0.04 -1.04 -1.21 135.00 137.22 3ky9 n PRO 52 Ca 0.04 0.48 -0.11 0.00 -0.04 0.00 0.00 63.50 63.86 3ky9 n PRO 52 Cb 0.38 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.77 3ky9 n PRO 52 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3ky9 n HIS 53 N 1.85 -0.20 -0.03 0.54 8.25 -1.26 -4.92 115.22 119.45 3ky9 n HIS 53 Ca 0.15 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.61 3ky9 n HIS 53 Cb 0.25 -2.29 0.29 0.00 1.12 0.00 0.00 29.99 29.35 3ky9 n HIS 53 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ky9 h ALA 54 N 0.20 1.37 -3.22 -1.41 0.00 -1.46 -3.42 119.26 111.33 3ky9 h ALA 54 Ca -0.24 -0.18 -0.36 0.00 0.00 0.00 0.00 54.91 54.13 3ky9 h ALA 54 Cb 0.90 -0.17 -0.38 0.00 0.00 0.00 0.00 17.79 18.14 3ky9 h ALA 54 CO 0.33 0.44 -0.71 0.42 0.00 0.00 0.00 179.25 179.73 3ky9 s ILE 55 N -5.09 -0.15 0.13 0.00 1.01 -1.26 -5.00 121.20 110.84 3ky9 s ILE 55 Ca -0.08 0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 3ky9 s ILE 55 Cb 0.16 -0.23 -0.07 0.00 0.01 0.00 0.00 42.46 42.33 3ky9 s ILE 55 CO 0.77 0.13 1.14 0.21 0.00 0.00 0.00 174.94 177.19 3ky9 s ASN 56 N 2.20 7.18 0.46 3.58 2.47 -1.26 -4.93 114.94 124.65 3ky9 s ASN 56 Ca 0.04 2.06 0.15 0.00 0.42 0.00 0.00 52.86 55.54 3ky9 s ASN 56 Cb -0.12 -2.59 1.11 0.00 -1.45 0.00 0.00 41.25 38.20 3ky9 s ASN 56 CO -0.04 -0.33 2.02 -0.07 -3.72 0.00 0.00 177.10 174.96 3ky9 h LEU 57 N 5.78 0.25 0.00 3.21 3.38 -2.00 0.22 115.31 126.15 3ky9 h LEU 57 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3ky9 h LEU 57 Cb 1.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3ky9 h LEU 57 CO 0.76 0.16 0.00 0.54 0.09 0.00 0.00 178.44 179.99 3ky9 n ARG 58 N -4.47 0.00 0.00 1.13 1.74 -1.26 -0.19 116.66 113.61 3ky9 n ARG 58 Ca 0.07 0.37 0.10 0.00 -0.77 0.00 0.00 57.85 57.61 3ky9 n ARG 58 Cb 0.33 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.31 3ky9 n ARG 58 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ky9 n GLU 59 N -1.37 1.64 -4.68 5.56 1.02 0.76 -4.93 120.64 118.63 3ky9 n GLU 59 Ca 0.00 -1.31 -0.33 0.00 -0.02 0.00 0.00 57.16 55.49 3ky9 n GLU 59 Cb 0.00 -1.37 -0.12 0.00 -0.02 0.00 0.00 31.44 29.93 3ky9 n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ky9 s VAL 60 N -1.88 3.47 -0.75 2.62 1.01 0.73 -4.84 120.40 120.76 3ky9 s VAL 60 Ca 0.20 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 3ky9 s VAL 60 Cb 0.16 -2.43 0.12 0.00 0.00 0.00 0.00 36.38 34.23 3ky9 s VAL 60 CO 0.35 0.57 0.93 0.20 0.00 0.00 0.00 175.10 177.15 3ky9 s ASN 61 N -0.39 6.40 0.53 3.32 -0.87 -1.26 -4.91 114.94 117.75 3ky9 s ASN 61 Ca 0.05 -1.67 0.28 0.00 -1.57 0.00 0.00 52.86 49.95 3ky9 s ASN 61 Cb -0.12 -2.36 1.48 0.00 -0.02 0.00 0.00 41.25 40.23 3ky9 s ASN 61 CO 0.02 -1.12 2.08 -0.07 -2.57 0.00 0.00 177.10 175.44 3ky9 h LEU 62 N 10.25 0.00 -6.09 0.60 3.38 -1.96 -3.31 115.31 118.18 3ky9 h LEU 62 Ca -0.09 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.31 3ky9 h LEU 62 Cb 1.06 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.41 3ky9 h LEU 62 CO 1.09 0.11 -1.04 0.54 0.09 0.00 0.00 178.44 179.23 3ky9 n ARG 63 N -3.60 0.79 -0.51 1.13 5.12 -1.26 -4.98 116.66 113.35 3ky9 n ARG 63 Ca -0.02 -3.35 0.09 0.00 -1.93 0.00 0.00 57.85 52.65 3ky9 n ARG 63 Cb 0.23 -1.38 0.32 0.00 -1.16 0.00 0.00 32.46 30.47 3ky9 n ARG 63 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3ky9 n PRO 64 N 1.59 3.26 0.24 5.56 -0.04 -1.25 -4.63 135.00 139.73 3ky9 n PRO 64 Ca 0.23 -2.52 0.09 0.00 -0.04 0.00 0.00 63.50 61.27 3ky9 n PRO 64 Cb 0.51 -1.77 0.62 0.00 -0.04 0.00 0.00 33.50 32.83 3ky9 n PRO 64 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3ky9 h GLN 65 N 3.71 0.00 -0.01 0.54 3.07 -1.93 0.60 115.11 121.08 3ky9 h GLN 65 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3ky9 h GLN 65 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 3ky9 h GLN 65 CO 0.17 0.16 0.00 -1.33 0.09 0.00 0.00 178.83 177.92 3ky9 n MET 66 N -3.93 1.03 -3.51 0.06 2.81 -1.26 -4.81 117.12 107.52 3ky9 n MET 66 Ca -0.02 -0.04 -0.20 0.00 -1.81 0.00 0.00 57.70 55.63 3ky9 n MET 66 Cb 0.25 -1.06 -0.13 0.00 -0.71 0.00 0.00 33.22 31.56 3ky9 n MET 66 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3ky9 s SER 67 N -1.10 1.59 0.42 7.83 0.15 0.20 -2.02 113.70 120.77 3ky9 s SER 67 Ca 0.06 -0.33 0.10 0.00 0.70 0.00 0.00 55.95 56.47 3ky9 s SER 67 Cb 0.03 0.28 0.89 0.00 -1.71 0.00 0.00 66.02 65.50 3ky9 s SER 67 CO 0.04 -0.34 2.00 -0.61 1.20 0.00 0.00 173.24 175.54 3ky9 h GLN 68 N 8.33 0.31 -0.33 5.44 4.15 -1.65 -2.43 115.11 128.92 3ky9 h GLN 68 Ca -0.17 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 3ky9 h GLN 68 Cb 1.15 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 3ky9 h GLN 68 CO 0.29 0.31 0.18 0.35 -1.93 0.00 0.00 178.83 178.03 3ky9 h PHE 69 N 0.31 0.46 0.00 3.99 3.57 -1.93 -1.40 116.94 121.94 3ky9 h PHE 69 Ca 0.07 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 3ky9 h PHE 69 Cb 0.16 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3ky9 h PHE 69 CO 0.00 0.37 -0.66 -0.07 -2.23 0.00 0.00 178.31 175.73 3ky9 h LEU 70 N 0.41 0.00 -0.29 0.59 3.38 -1.78 -1.99 115.31 115.63 3ky9 h LEU 70 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3ky9 h LEU 70 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3ky9 h LEU 70 CO -0.02 0.66 -0.21 0.00 0.09 0.00 0.00 178.44 178.96 3ky9 h LEU 72 N 0.40 1.10 -0.98 0.00 3.38 -0.98 -1.62 115.31 116.60 3ky9 h LEU 72 Ca 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3ky9 h LEU 72 Cb 0.76 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3ky9 h LEU 72 CO 0.06 1.02 0.17 0.11 0.09 0.00 0.00 178.44 179.89 3ky9 h LYS 73 N 1.12 0.91 -0.14 1.13 1.57 -1.36 0.12 116.57 119.92 3ky9 h LYS 73 Ca 0.24 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ky9 h LYS 73 Cb 0.31 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3ky9 h LYS 73 CO -0.01 0.79 0.09 -0.91 -0.57 0.00 0.00 179.45 178.85 3ky9 h ASN 74 N 0.88 0.16 -0.78 0.86 2.35 -0.94 -0.14 115.58 117.98 3ky9 h ASN 74 Ca 0.20 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3ky9 h ASN 74 Cb 0.27 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 3ky9 h ASN 74 CO -0.01 0.13 0.30 0.40 -1.65 0.00 0.00 177.43 176.61 3ky9 h ILE 75 N 0.18 1.26 -0.55 2.81 2.04 -0.85 0.23 117.51 122.63 3ky9 h ILE 75 Ca 0.05 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 3ky9 h ILE 75 Cb -0.01 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3ky9 h ILE 75 CO -0.01 0.34 0.15 0.03 0.00 0.00 0.00 178.15 178.65 3ky9 h ARG 76 N 1.14 0.87 -0.80 2.37 2.47 -0.91 0.26 114.38 119.78 3ky9 h ARG 76 Ca 0.26 -0.20 0.02 0.00 -1.26 0.00 0.00 59.98 58.80 3ky9 h ARG 76 Cb 0.23 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.39 3ky9 h ARG 76 CO -0.02 0.81 0.52 1.15 0.56 0.00 0.00 179.97 182.99 3ky9 h THR 77 N 0.77 1.15 0.89 2.04 2.02 -0.48 0.92 112.91 120.23 3ky9 h THR 77 Ca 0.17 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 3ky9 h THR 77 Cb 0.32 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3ky9 h THR 77 CO -0.00 0.19 -0.43 0.15 0.37 0.00 0.00 175.52 175.80 3ky9 h PHE 78 N 1.03 -1.11 -0.79 3.16 3.04 0.01 -1.52 116.94 120.77 3ky9 h PHE 78 Ca 0.31 -0.03 0.11 0.00 3.98 0.00 0.00 57.97 62.34 3ky9 h PHE 78 Cb -0.04 0.37 -0.08 0.00 2.56 0.00 0.00 35.95 38.76 3ky9 h PHE 78 CO -0.02 -0.69 0.41 -0.07 -2.02 0.00 0.00 178.31 175.92 3ky9 h LEU 79 N -1.27 0.55 0.20 0.59 3.38 -0.39 0.49 115.31 118.86 3ky9 h LEU 79 Ca -0.12 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ky9 h LEU 79 Cb 0.92 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3ky9 h LEU 79 CO 0.20 0.29 -0.10 -1.28 0.09 0.00 0.00 178.44 177.64 3ky9 h SER 80 N 0.67 -0.23 0.45 -0.43 0.87 -0.79 -1.74 113.55 112.35 3ky9 h SER 80 Ca 0.40 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3ky9 h SER 80 Cb 0.44 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3ky9 h SER 80 CO -0.29 0.12 -0.13 0.71 -0.53 0.00 0.00 176.83 176.71 3ky9 h THR 81 N -0.61 0.55 0.00 2.23 1.35 -1.16 -0.53 112.91 114.73 3ky9 h THR 81 Ca -0.03 -0.61 -0.02 0.00 -0.55 0.00 0.00 66.41 65.20 3ky9 h THR 81 Cb 0.45 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3ky9 h THR 81 CO 0.05 0.13 -0.11 0.00 -0.25 0.00 0.00 175.52 175.34 3ky9 h GLU 84 N 0.00 0.00 -0.00 0.00 5.08 -0.86 -3.18 114.58 115.62 3ky9 h GLU 84 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3ky9 h GLU 84 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 3ky9 h GLU 84 CO -0.01 0.64 -0.01 1.63 -1.00 0.00 0.00 179.01 180.25 3ky9 n LYS 85 N -3.58 0.09 0.00 2.33 5.02 0.95 -4.75 118.16 118.23 3ky9 n LYS 85 Ca -0.00 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 3ky9 n LYS 85 Cb 0.68 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 3ky9 n LYS 85 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3ky9 n PHE 86 N 0.13 0.00 0.00 2.13 3.72 -1.22 -5.03 117.46 117.18 3ky9 n PHE 86 Ca 0.02 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3ky9 n PHE 86 Cb 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3ky9 n PHE 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ky9 n GLY 87 N -0.07 2.49 1.73 1.37 0.00 -1.20 -4.89 105.19 104.63 3ky9 n GLY 87 Ca 0.00 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 3ky9 n GLY 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ky9 n LEU 88 N 0.00 -0.40 -4.87 0.99 4.32 -1.26 -4.92 117.00 110.86 3ky9 n LEU 88 Ca 0.00 0.58 -0.31 0.00 -0.02 0.00 0.00 56.01 56.26 3ky9 n LEU 88 Cb 0.00 -0.47 -0.04 0.00 -1.62 0.00 0.00 43.42 41.28 3ky9 n LEU 88 CO 0.00 -1.31 0.34 -0.54 -1.22 0.00 0.00 177.39 174.66 3ky9 s LYS 89 N -0.32 3.82 0.00 3.23 1.02 -1.26 -4.48 119.74 121.75 3ky9 s LYS 89 Ca 0.37 0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.78 3ky9 s LYS 89 Cb -0.53 -2.50 0.08 0.00 -0.52 0.00 0.00 37.83 34.35 3ky9 s LYS 89 CO 0.28 0.14 0.96 0.54 -0.92 0.00 0.00 175.35 176.35 3ky9 n ARG 90 N -0.71 0.01 -0.35 1.68 1.74 -1.26 -0.04 116.66 117.74 3ky9 n ARG 90 Ca 0.02 0.37 0.12 0.00 -0.77 0.00 0.00 57.85 57.59 3ky9 n ARG 90 Cb 0.53 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.78 3ky9 n ARG 90 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ky9 n SER 91 N -1.39 3.89 0.00 0.55 3.41 -1.26 -3.98 113.62 114.84 3ky9 n SER 91 Ca 0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 3ky9 n SER 91 Cb 0.02 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 3ky9 n SER 91 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3ky9 n GLU 92 N 1.62 2.73 -5.26 4.33 2.13 0.94 -5.01 120.64 122.12 3ky9 n GLU 92 Ca 0.24 -0.13 -0.31 0.00 0.66 0.00 0.00 57.16 57.62 3ky9 n GLU 92 Cb 0.62 -0.53 -0.16 0.00 0.27 0.00 0.00 31.44 31.64 3ky9 n GLU 92 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 3ky9 s LEU 93 N -0.85 2.11 1.07 4.31 0.05 -1.15 -4.03 118.68 120.20 3ky9 s LEU 93 Ca 0.00 -0.46 -0.15 0.00 0.05 0.00 0.00 54.13 53.57 3ky9 s LEU 93 Cb 0.00 -1.37 0.22 0.00 -2.05 0.00 0.00 46.19 43.00 3ky9 s LEU 93 CO 0.00 0.30 1.11 0.72 -0.55 0.00 0.00 176.35 177.93 3ky9 s PHE 94 N -0.50 1.51 -0.06 3.48 -0.12 -1.26 -4.94 117.98 116.09 3ky9 s PHE 94 Ca 0.06 0.76 -0.04 0.00 -0.05 0.00 0.00 56.93 57.66 3ky9 s PHE 94 Cb -0.11 -3.38 -0.04 0.00 -0.63 0.00 0.00 43.02 38.86 3ky9 s PHE 94 CO 0.00 -3.24 0.14 -2.00 -0.05 0.00 0.00 175.22 170.07 3ky9 s GLU 95 N -5.19 3.35 0.15 1.99 2.12 -1.26 -5.02 118.70 114.85 3ky9 s GLU 95 Ca 0.68 -0.27 -0.20 0.00 0.36 0.00 0.00 54.97 55.53 3ky9 s GLU 95 Cb -0.15 -3.08 0.05 0.00 0.26 0.00 0.00 34.13 31.22 3ky9 s GLU 95 CO 0.57 0.72 1.26 0.00 -0.54 0.00 0.00 175.26 177.26 3ky9 n ALA 96 N 1.52 -0.34 0.37 6.30 0.00 -1.26 0.97 120.51 128.07 3ky9 n ALA 96 Ca -0.16 0.74 0.09 0.00 0.00 0.00 0.00 53.44 54.12 3ky9 n ALA 96 Cb 0.54 -0.22 0.40 0.00 0.00 0.00 0.00 19.45 20.17 3ky9 n ALA 96 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ky9 n PHE 97 N -5.09 0.46 0.29 0.00 3.72 -1.26 -0.46 117.46 115.12 3ky9 n PHE 97 Ca 0.04 0.19 0.16 0.00 -0.05 0.00 0.00 57.45 57.79 3ky9 n PHE 97 Cb 0.26 -0.81 0.90 0.00 -0.94 0.00 0.00 39.48 38.89 3ky9 n PHE 97 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3ky9 h ASP 98 N 0.00 0.00 0.00 4.37 3.32 0.27 -2.31 116.42 122.07 3ky9 h ASP 98 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 3ky9 h ASP 98 Cb 0.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3ky9 h ASP 98 CO 0.00 0.04 -1.55 -0.11 -1.72 0.00 0.00 179.24 175.89 3ky9 n LEU 99 N -3.64 1.70 0.15 1.55 7.94 0.39 -2.79 117.00 122.30 3ky9 n LEU 99 Ca -0.03 0.29 -0.00 0.00 -1.11 0.00 0.00 56.01 55.16 3ky9 n LEU 99 Cb 0.13 -0.67 0.21 0.00 0.53 0.00 0.00 43.42 43.63 3ky9 n LEU 99 CO 0.27 0.06 0.54 0.15 -1.11 0.00 0.00 177.39 177.31 3ky9 h PHE 100 N -0.82 0.00 -0.22 1.96 3.04 -1.30 -2.24 116.94 117.35 3ky9 h PHE 100 Ca -0.29 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.59 3ky9 h PHE 100 Cb 1.17 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.64 3ky9 h PHE 100 CO -0.21 0.56 -0.07 -3.47 -2.02 0.00 0.00 178.31 173.10 3ky9 n ASP 101 N -3.83 2.90 -4.18 0.41 2.03 -0.96 -4.99 116.55 107.93 3ky9 n ASP 101 Ca -0.01 -3.38 -0.35 0.00 0.52 0.00 0.00 54.79 51.56 3ky9 n ASP 101 Cb 0.57 -0.56 -0.08 0.00 -0.72 0.00 0.00 41.12 40.34 3ky9 n ASP 101 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3ky9 n VAL 102 N -0.96 -0.24 1.18 5.18 0.24 -0.84 -4.80 118.33 118.08 3ky9 n VAL 102 Ca 0.24 -0.12 0.12 0.00 -2.04 0.00 0.00 64.34 62.54 3ky9 n VAL 102 Cb 0.88 -0.56 0.62 0.00 -1.47 0.00 0.00 33.84 33.30 3ky9 n VAL 102 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ky9 n GLN 103 N -3.80 0.39 0.00 7.34 6.02 -0.91 -4.32 117.38 122.10 3ky9 n GLN 103 Ca -0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3ky9 n GLN 103 Cb 0.46 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3ky9 n GLN 103 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3ky9 n ASP 104 N -1.26 0.00 0.29 1.08 -0.08 -1.12 -4.91 116.55 110.55 3ky9 n ASP 104 Ca 0.12 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.55 3ky9 n ASP 104 Cb 0.18 0.00 0.86 0.00 2.34 0.00 0.00 41.12 44.50 3ky9 n ASP 104 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3ky9 h PHE 105 N 0.00 0.00 -0.92 -0.67 3.57 -1.74 -0.99 116.94 116.19 3ky9 h PHE 105 Ca 0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 3ky9 h PHE 105 Cb 0.00 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 3ky9 h PHE 105 CO 0.00 0.04 0.55 0.78 -2.23 0.00 0.00 178.31 177.45 3ky9 h GLY 106 N 0.32 1.50 2.00 2.40 0.00 -1.95 -1.19 103.07 106.14 3ky9 h GLY 106 Ca -0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 3ky9 h GLY 106 CO 0.01 0.11 -0.48 1.70 0.00 0.00 0.00 176.54 177.88 3ky9 h LYS 107 N 0.86 0.00 -0.53 4.80 1.63 -1.55 -2.58 116.57 119.20 3ky9 h LYS 107 Ca 0.46 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.22 3ky9 h LYS 107 Cb 0.49 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 3ky9 h LYS 107 CO -0.28 0.48 0.15 0.28 -3.45 0.00 0.00 179.45 176.62 3ky9 h VAL 108 N 0.00 1.24 -0.23 2.00 2.07 -1.23 -2.20 116.25 117.90 3ky9 h VAL 108 Ca -0.00 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 3ky9 h VAL 108 Cb 1.17 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3ky9 h VAL 108 CO 0.06 0.31 -0.17 0.40 0.02 0.00 0.00 177.57 178.18 3ky9 h ILE 109 N 0.74 1.23 0.06 4.57 2.04 -1.20 -2.64 117.51 122.31 3ky9 h ILE 109 Ca 0.17 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3ky9 h ILE 109 Cb 0.31 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3ky9 h ILE 109 CO -0.00 0.33 -0.03 0.22 0.00 0.00 0.00 178.15 178.67 3ky9 h TYR 110 N 0.37 -0.08 -0.64 1.37 5.03 -1.28 -1.58 116.97 120.16 3ky9 h TYR 110 Ca 0.07 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.51 3ky9 h TYR 110 Cb 0.52 0.03 -0.11 0.00 1.55 0.00 0.00 36.73 38.72 3ky9 h TYR 110 CO 0.01 0.05 -0.01 1.15 -1.32 0.00 0.00 178.16 178.04 3ky9 h THR 111 N -0.19 0.45 0.04 1.81 2.02 -1.14 0.12 112.91 116.03 3ky9 h THR 111 Ca -0.01 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3ky9 h THR 111 Cb 0.16 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3ky9 h THR 111 CO 0.01 0.02 -0.02 -0.07 0.37 0.00 0.00 175.52 175.83 3ky9 h LEU 112 N 0.10 -0.05 -0.65 2.58 3.38 -1.35 0.32 115.31 119.64 3ky9 h LEU 112 Ca 0.34 -0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.28 3ky9 h LEU 112 Cb 0.55 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.19 3ky9 h LEU 112 CO -0.56 0.13 -0.15 -1.28 0.09 0.00 0.00 178.44 176.66 3ky9 h SER 113 N -0.22 -0.59 -0.52 -0.43 0.87 -0.77 0.47 113.55 112.37 3ky9 h SER 113 Ca -0.01 0.19 0.10 0.00 -1.23 0.00 0.00 61.79 60.85 3ky9 h SER 113 Cb 0.20 0.40 -0.09 0.00 -0.44 0.00 0.00 62.40 62.47 3ky9 h SER 113 CO 0.01 -0.21 -0.06 0.00 -0.53 0.00 0.00 176.83 176.04 3ky9 h ALA 114 N 1.65 0.43 -0.79 6.23 0.00 -0.49 -0.59 119.26 125.70 3ky9 h ALA 114 Ca 0.31 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.44 3ky9 h ALA 114 Cb 0.48 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3ky9 h ALA 114 CO -0.66 -0.41 0.50 1.25 0.00 0.00 0.00 179.25 179.92 3ky9 h LEU 115 N 0.06 0.82 -1.98 0.00 5.85 0.18 -1.55 115.31 118.69 3ky9 h LEU 115 Ca 0.26 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3ky9 h LEU 115 Cb 0.40 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3ky9 h LEU 115 CO -0.48 0.56 -0.09 0.77 -0.34 0.00 0.00 178.44 178.86 3ky9 h SER 116 N 0.96 0.00 0.22 1.25 4.64 0.13 -1.77 113.55 118.98 3ky9 h SER 116 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3ky9 h SER 116 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3ky9 h SER 116 CO -0.12 0.09 -0.34 0.79 -0.87 0.00 0.00 176.83 176.38 3ky9 n TRP 117 N -4.08 0.00 -1.46 4.77 7.02 -0.62 -4.02 117.44 119.05 3ky9 n TRP 117 Ca -0.03 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.07 3ky9 n TRP 117 Cb 0.17 -0.11 0.04 0.00 -2.42 0.00 0.00 31.31 28.99 3ky9 n TRP 117 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3ky9 n THR 118 N -0.67 2.24 0.67 -0.99 -1.04 -0.67 -4.79 114.28 109.03 3ky9 n THR 118 Ca 0.11 -0.49 0.02 0.00 -2.04 0.00 0.00 64.05 61.64 3ky9 n THR 118 Cb 0.36 -0.68 0.12 0.00 -1.82 0.00 0.00 70.33 68.31 3ky9 n THR 118 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ky9 n PRO 119 N -0.08 0.33 -0.06 -2.82 -0.04 -1.26 -2.70 135.00 128.38 3ky9 n PRO 119 Ca 0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 3ky9 n PRO 119 Cb 0.48 -1.20 -0.05 0.00 -0.04 0.00 0.00 33.50 32.69 3ky9 n PRO 119 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3ky9 n ILE 120 N -0.70 0.62 0.10 0.52 5.41 -1.26 -3.73 119.36 120.32 3ky9 n ILE 120 Ca 0.03 -0.21 -0.12 0.00 1.00 0.00 0.00 62.75 63.45 3ky9 n ILE 120 Cb 0.01 -1.18 -0.05 0.00 -0.71 0.00 0.00 39.64 37.71 3ky9 n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ky9 h ALA 121 N -0.16 -0.35 -0.01 -1.39 0.00 -1.73 -2.95 119.26 112.66 3ky9 h ALA 121 Ca -0.26 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 3ky9 h ALA 121 Cb 1.33 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 3ky9 h ALA 121 CO -0.09 -0.74 -0.69 0.37 0.00 0.00 0.00 179.25 178.10 3ky9 h GLN 122 N -0.40 0.07 0.00 0.00 4.15 -1.65 -2.48 115.11 114.80 3ky9 h GLN 122 Ca 0.04 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3ky9 h GLN 122 Cb 0.43 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3ky9 h GLN 122 CO -0.14 0.73 0.00 -1.71 -1.93 0.00 0.00 178.83 175.78 3ky9 n ASN 123 N -3.75 0.00 0.00 -0.69 5.15 -1.12 -1.40 115.26 113.45 3ky9 n ASN 123 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 3ky9 n ASN 123 Cb 0.67 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.92 3ky9 n ASN 123 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3ky9 n ARG 124 N -0.20 -0.13 0.00 1.20 0.63 -0.94 -4.99 116.66 112.24 3ky9 n ARG 124 Ca 0.00 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 3ky9 n ARG 124 Cb 0.00 -0.58 0.00 0.00 0.45 0.00 0.00 32.46 32.33 3ky9 n ARG 124 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ky9 n GLY 125 N -0.00 1.37 3.62 5.14 0.00 -0.49 -5.05 105.19 109.77 3ky9 n GLY 125 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ky9 n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ky9 s ILE 126 N -2.36 4.84 0.14 -0.61 1.01 -1.25 -5.02 121.20 117.96 3ky9 s ILE 126 Ca 0.00 1.22 -0.31 0.00 0.00 0.00 0.00 60.65 61.56 3ky9 s ILE 126 Cb 0.00 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.28 3ky9 s ILE 126 CO 0.00 -0.16 1.62 -0.32 0.00 0.00 0.00 174.94 176.08 3ky9 s MET 127 N 2.83 4.20 1.23 2.79 -2.45 -1.26 -4.25 119.30 122.39 3ky9 s MET 127 Ca 0.31 2.40 -0.16 0.00 -1.25 0.00 0.00 55.69 56.99 3ky9 s MET 127 Cb -0.15 -3.28 0.28 0.00 1.25 0.00 0.00 34.83 32.93 3ky9 s MET 127 CO 0.11 -0.67 0.74 -2.30 1.05 0.00 0.00 175.02 173.95 3ky9 n PRO 128 N 4.46 -2.89 0.00 4.11 -0.02 -1.26 -4.96 135.00 134.44 3ky9 n PRO 128 Ca 0.15 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.80 3ky9 n PRO 128 Cb 0.39 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3ky9 n PRO 128 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3ky9 n PHE 129 N -5.07 0.00 0.00 6.00 1.16 -1.26 -5.05 117.46 113.24 3ky9 n PHE 129 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 3ky9 n PHE 129 Cb 0.56 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.43 3ky9 n PHE 129 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 3ky9 n TYR 142 N 0.00 0.00 -0.15 2.97 4.01 -1.26 -4.66 117.16 118.07 3ky9 n TYR 142 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 3ky9 n TYR 142 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3ky9 n TYR 142 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3ky9 n SER 143 N 0.00 -0.30 -0.42 7.72 3.41 -1.26 -0.94 113.62 121.83 3ky9 n SER 143 Ca 0.00 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 3ky9 n SER 143 Cb 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3ky9 n SER 143 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ky9 n GLY 144 N -1.15 0.41 0.10 5.00 0.00 -1.26 -3.87 105.19 104.43 3ky9 n GLY 144 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3ky9 n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ky9 h LEU 145 N 0.52 -0.12 -2.40 0.99 3.38 -1.39 -3.08 115.31 113.22 3ky9 h LEU 145 Ca 0.00 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3ky9 h LEU 145 Cb 0.16 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3ky9 h LEU 145 CO 0.00 0.29 0.16 -1.28 0.09 0.00 0.00 178.44 177.70 3ky9 h SER 146 N -0.55 0.00 0.00 -0.43 0.87 -1.82 -2.58 113.55 109.05 3ky9 h SER 146 Ca -0.01 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 3ky9 h SER 146 Cb 0.45 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3ky9 h SER 146 CO 0.02 0.00 -0.32 0.44 -0.53 0.00 0.00 176.83 176.44 3ky9 h ASP 147 N 0.00 0.00 -0.20 6.23 3.32 -1.85 -3.32 116.42 120.60 3ky9 h ASP 147 Ca 0.04 -0.80 0.04 0.00 0.02 0.00 0.00 57.03 56.33 3ky9 h ASP 147 Cb 0.36 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 3ky9 h ASP 147 CO -0.00 1.09 -0.07 1.56 -1.72 0.00 0.00 179.24 180.10 3ky9 h GLN 148 N -1.00 -0.03 -0.55 3.56 4.20 -1.38 -2.58 115.11 117.34 3ky9 h GLN 148 Ca -0.09 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.68 3ky9 h GLN 148 Cb 1.01 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.71 3ky9 h GLN 148 CO -0.05 -0.02 -0.56 0.82 -0.67 0.00 0.00 178.83 178.35 3ky9 h ILE 149 N -0.03 0.00 0.00 2.54 2.04 -1.70 -3.52 117.51 116.84 3ky9 h ILE 149 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3ky9 h ILE 149 Cb 0.19 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3ky9 h ILE 149 CO -0.23 0.00 0.02 0.47 0.00 0.00 0.00 178.15 178.41 3ky9 n ASP 150 N -5.31 -0.04 0.00 1.72 8.00 -0.98 -5.14 116.55 114.79 3ky9 n ASP 150 Ca -0.02 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.18 3ky9 n ASP 150 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3ky9 n ASP 150 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3ky9 n ASP 156 N 1.55 0.00 0.09 -2.24 5.68 -1.26 -5.02 116.55 115.34 3ky9 n ASP 156 Ca 0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.09 3ky9 n ASP 156 Cb 0.01 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.88 3ky9 n ASP 156 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ky9 h GLU 157 N 0.00 0.56 -0.66 0.11 4.39 -2.07 -3.17 114.58 113.74 3ky9 h GLU 157 Ca 0.00 -0.73 0.14 0.00 0.34 0.00 0.00 59.36 59.11 3ky9 h GLU 157 Cb 0.00 0.24 -0.11 0.00 -0.10 0.00 0.00 28.75 28.78 3ky9 h GLU 157 CO 0.00 1.32 0.04 0.22 -1.16 0.00 0.00 179.01 179.43 3ky9 h ASP 158 N 0.26 -0.23 -0.59 1.42 3.58 -2.03 -3.25 116.42 115.58 3ky9 h ASP 158 Ca -0.16 0.16 0.12 0.00 0.42 0.00 0.00 57.03 57.56 3ky9 h ASP 158 Cb 1.86 0.27 -0.09 0.00 1.72 0.00 0.00 39.33 43.08 3ky9 h ASP 158 CO 0.22 -0.11 0.06 0.25 -2.88 0.00 0.00 179.24 176.79 3ky9 h LEU 159 N 0.15 -0.13 -2.55 2.28 5.85 -2.00 -2.22 115.31 116.69 3ky9 h LEU 159 Ca 0.35 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.20 3ky9 h LEU 159 Cb 0.59 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3ky9 h LEU 159 CO -0.54 -0.05 0.00 -1.22 -0.34 0.00 0.00 178.44 176.28 3ky9 n TYR 160 N -5.20 1.15 -0.30 1.25 4.01 -1.23 -4.36 117.16 112.49 3ky9 n TYR 160 Ca 0.08 -0.47 0.22 0.00 -0.16 0.00 0.00 57.90 57.57 3ky9 n TYR 160 Cb 0.33 -0.17 0.53 0.00 -0.31 0.00 0.00 39.34 39.72 3ky9 n TYR 160 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3ky9 h ASP 161 N 3.42 0.40 -0.55 7.72 3.32 -1.51 -1.35 116.42 127.88 3ky9 h ASP 161 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3ky9 h ASP 161 Cb 1.15 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3ky9 h ASP 161 CO 0.15 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 3ky9 s VAL 163 N -1.65 5.47 0.01 0.00 -7.23 -0.51 -4.83 120.40 111.66 3ky9 s VAL 163 Ca 0.41 0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.38 3ky9 s VAL 163 Cb 0.25 -3.43 -0.08 0.00 0.56 0.00 0.00 36.38 33.69 3ky9 s VAL 163 CO 0.22 0.54 1.81 -0.70 -0.31 0.00 0.00 175.10 176.66 3ky9 s GLU 164 N -1.29 4.16 0.68 4.82 2.12 -1.26 -4.96 118.70 122.97 3ky9 s GLU 164 Ca 0.18 2.43 -0.12 0.00 0.36 0.00 0.00 54.97 57.82 3ky9 s GLU 164 Cb -0.12 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.26 3ky9 s GLU 164 CO 0.08 -0.89 1.07 0.54 -0.54 0.00 0.00 175.26 175.52 3ky9 s ASN 165 N 3.75 5.32 0.64 -1.70 2.20 -1.26 -4.92 114.94 118.96 3ky9 s ASN 165 Ca 0.81 1.72 0.38 0.00 -0.94 0.00 0.00 52.86 54.83 3ky9 s ASN 165 Cb -0.39 -2.51 2.15 0.00 -2.00 0.00 0.00 41.25 38.50 3ky9 s ASN 165 CO 0.36 -1.48 2.30 1.05 -2.94 0.00 0.00 177.10 176.39 3ky9 h GLU 166 N -0.47 0.00 -0.59 3.55 4.11 -2.00 -2.94 114.58 116.24 3ky9 h GLU 166 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3ky9 h GLU 166 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3ky9 h GLU 166 CO 0.56 0.00 0.00 -0.85 0.07 0.00 0.00 179.01 178.79 3ky9 n GLU 167 N -3.39 2.84 -0.09 1.06 0.28 -1.26 -4.53 120.64 115.56 3ky9 n GLU 167 Ca -0.03 -2.47 -0.11 0.00 -0.16 0.00 0.00 57.16 54.39 3ky9 n GLU 167 Cb 0.10 -1.49 0.02 0.00 1.43 0.00 0.00 31.44 31.51 3ky9 n GLU 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ky9 h ALA 168 N 3.47 0.69 -0.39 -1.84 0.00 -1.90 -0.94 119.26 118.34 3ky9 h ALA 168 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.53 3ky9 h ALA 168 Cb 0.94 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3ky9 h ALA 168 CO 0.02 0.67 0.06 1.49 0.00 0.00 0.00 179.25 181.49 3ky9 h GLU 169 N 0.69 0.18 -0.11 0.00 4.81 -1.84 -2.11 114.58 116.21 3ky9 h GLU 169 Ca 0.06 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 3ky9 h GLU 169 Cb 0.92 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 3ky9 h GLU 169 CO 0.08 0.12 -0.58 0.78 -0.73 0.00 0.00 179.01 178.68 3ky9 h GLY 170 N 0.18 0.38 2.00 1.92 0.00 -1.86 -3.19 103.07 102.51 3ky9 h GLY 170 Ca 0.19 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3ky9 h GLY 170 CO -0.26 0.41 -0.04 -1.80 0.00 0.00 0.00 176.54 174.85 3ky9 h ASP 171 N 0.26 0.00 0.07 0.19 1.82 -0.50 -1.05 116.42 117.21 3ky9 h ASP 171 Ca -0.00 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.33 3ky9 h ASP 171 Cb 1.10 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.08 3ky9 h ASP 171 CO 0.10 0.04 -1.70 -1.84 -1.61 0.00 0.00 179.24 174.23 3ky9 n GLU 172 N -3.34 0.68 -0.32 0.28 0.28 -0.97 -2.19 120.64 115.06 3ky9 n GLU 172 Ca -0.02 0.39 0.18 0.00 -0.16 0.00 0.00 57.16 57.56 3ky9 n GLU 172 Cb 0.17 -1.72 0.38 0.00 1.43 0.00 0.00 31.44 31.70 3ky9 n GLU 172 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3ky9 h ILE 173 N -0.38 0.32 -0.08 3.84 2.04 -1.52 0.20 117.51 121.92 3ky9 h ILE 173 Ca -0.40 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3ky9 h ILE 173 Cb 1.73 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3ky9 h ILE 173 CO -0.04 0.05 -0.09 0.22 0.00 0.00 0.00 178.15 178.30 3ky9 h TYR 174 N 0.29 0.25 0.00 1.37 3.20 -1.25 -2.09 116.97 118.73 3ky9 h TYR 174 Ca 0.64 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 62.40 3ky9 h TYR 174 Cb 1.38 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 3ky9 h TYR 174 CO -0.13 0.64 -0.19 0.93 -1.64 0.00 0.00 178.16 177.77 3ky9 h GLU 175 N -0.22 0.00 0.35 1.82 4.39 -0.87 -1.36 114.58 118.70 3ky9 h GLU 175 Ca 0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3ky9 h GLU 175 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3ky9 h GLU 175 CO 0.02 0.19 -0.17 0.22 -1.16 0.00 0.00 179.01 178.11 3ky9 h ASP 176 N 0.00 -0.39 -1.01 1.42 1.82 -0.64 -2.36 116.42 115.26 3ky9 h ASP 176 Ca -0.00 -0.14 0.23 0.00 -0.39 0.00 0.00 57.03 56.73 3ky9 h ASP 176 Cb 0.68 0.10 -0.11 0.00 0.68 0.00 0.00 39.33 40.69 3ky9 h ASP 176 CO 0.02 0.05 0.62 0.25 -1.61 0.00 0.00 179.24 178.58 3ky9 h LEU 177 N -0.99 0.64 0.00 2.28 5.85 -1.08 -2.67 115.31 119.34 3ky9 h LEU 177 Ca -0.05 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3ky9 h LEU 177 Cb 0.51 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3ky9 h LEU 177 CO 0.08 0.17 -0.82 0.23 -0.34 0.00 0.00 178.44 177.76 3ky9 n MET 178 N -4.75 0.30 -1.64 1.25 2.81 -0.54 -4.99 117.12 109.56 3ky9 n MET 178 Ca 0.25 0.05 -0.41 0.00 -1.81 0.00 0.00 57.70 55.78 3ky9 n MET 178 Cb 0.71 -1.65 0.02 0.00 -0.71 0.00 0.00 33.22 31.59 3ky9 n MET 178 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3ky9 n ARG 179 N -2.06 1.46 0.00 0.03 0.63 -0.89 -4.93 116.66 110.90 3ky9 n ARG 179 Ca 0.03 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 3ky9 n ARG 179 Cb 0.44 -2.18 0.00 0.00 0.45 0.00 0.00 32.46 31.17 3ky9 n ARG 179 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3ky9 n SER 180 N 0.17 0.00 0.00 6.15 3.41 -1.26 -5.07 113.62 117.03 3ky9 n SER 180 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3ky9 n SER 180 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3ky9 n SER 180 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3ky9 n MET 189 N -0.36 0.00 -1.69 4.33 0.00 -1.26 -5.32 117.12 112.82 3ky9 n MET 189 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.45 3ky9 n MET 189 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 33.22 33.39 3ky9 n MET 189 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3ky9 n THR 190 N 0.00 0.00 -0.57 3.17 -2.24 -1.26 -4.96 114.28 108.43 3ky9 n THR 190 Ca 0.00 -0.89 0.10 0.00 -2.27 0.00 0.00 64.05 60.99 3ky9 n THR 190 Cb 0.00 -1.53 0.34 0.00 -2.10 0.00 0.00 70.33 67.04 3ky9 n THR 190 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3ky9 n GLU 191 N -3.36 3.48 -0.09 -0.78 2.13 -1.26 -2.77 120.64 117.99 3ky9 n GLU 191 Ca 0.14 -2.80 -0.11 0.00 0.66 0.00 0.00 57.16 55.05 3ky9 n GLU 191 Cb 0.50 -1.80 -0.09 0.00 0.27 0.00 0.00 31.44 30.32 3ky9 n GLU 191 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3ky9 n TYR 192 N 1.14 0.00 0.11 4.31 9.36 -1.26 -3.72 117.16 127.09 3ky9 n TYR 192 Ca 0.25 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.48 3ky9 n TYR 192 Cb 0.81 -0.69 0.33 0.00 -0.63 0.00 0.00 39.34 39.16 3ky9 n TYR 192 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3ky9 h ASP 193 N 0.00 0.23 -0.02 2.98 3.32 -1.97 0.16 116.42 121.12 3ky9 h ASP 193 Ca -0.40 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 3ky9 h ASP 193 Cb 1.68 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 41.17 3ky9 h ASP 193 CO -0.04 0.47 0.00 0.11 -1.72 0.00 0.00 179.24 178.06 3ky9 h LYS 194 N 0.21 0.03 -0.21 3.56 1.57 -1.72 0.59 116.57 120.59 3ky9 h LYS 194 Ca 0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3ky9 h LYS 194 Cb 0.54 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3ky9 h LYS 194 CO 0.04 0.23 0.11 -0.09 -0.57 0.00 0.00 179.45 179.17 3ky9 h ARG 195 N -0.18 0.31 -0.65 3.15 2.43 -1.57 -2.57 114.38 115.28 3ky9 h ARG 195 Ca 0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3ky9 h ARG 195 Cb 0.22 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3ky9 h ARG 195 CO -0.00 0.31 0.31 0.00 -1.51 0.00 0.00 179.97 179.08 3ky9 h LEU 199 N 0.37 0.00 0.00 0.00 3.38 -0.80 -1.06 115.31 117.20 3ky9 h LEU 199 Ca 0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 3ky9 h LEU 199 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3ky9 h LEU 199 CO 0.04 0.00 -1.17 0.03 0.09 0.00 0.00 178.44 177.43 3ky9 h ARG 200 N 0.00 0.00 -0.58 1.13 3.08 -1.12 -2.80 114.38 114.08 3ky9 h ARG 200 Ca 0.02 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3ky9 h ARG 200 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3ky9 h ARG 200 CO -0.00 0.79 0.05 1.49 -1.07 0.00 0.00 179.97 181.22 3ky9 h GLU 201 N 0.00 0.99 -0.41 0.04 4.81 -0.75 -1.18 114.58 118.09 3ky9 h GLU 201 Ca -0.09 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 3ky9 h GLU 201 Cb 1.80 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.06 3ky9 h GLU 201 CO 0.11 0.96 0.01 0.82 -0.73 0.00 0.00 179.01 180.19 3ky9 h ILE 202 N 0.89 1.26 -0.31 2.32 2.04 -1.32 -1.72 117.51 120.66 3ky9 h ILE 202 Ca 0.17 -0.99 -0.16 0.00 1.00 0.00 0.00 64.86 64.88 3ky9 h ILE 202 Cb 0.48 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3ky9 h ILE 202 CO 0.02 0.34 -0.46 -0.61 0.00 0.00 0.00 178.15 177.44 3ky9 h GLN 203 N 0.55 0.82 0.00 2.37 4.15 -1.47 -2.93 115.11 118.61 3ky9 h GLN 203 Ca 0.12 -0.47 -0.05 0.00 0.77 0.00 0.00 58.65 59.02 3ky9 h GLN 203 Cb 0.46 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.18 3ky9 h GLN 203 CO 0.02 1.10 -0.21 1.96 -1.93 0.00 0.00 178.83 179.77 3ky9 h GLN 204 N 0.65 0.13 -0.75 1.69 4.20 -1.14 -1.38 115.11 118.51 3ky9 h GLN 204 Ca 0.04 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.65 3ky9 h GLN 204 Cb 1.04 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 3ky9 h GLN 204 CO 0.10 0.91 0.49 1.79 -0.67 0.00 0.00 178.83 181.46 3ky9 h THR 205 N -0.59 1.08 -0.05 -0.54 1.35 -1.45 0.35 112.91 113.06 3ky9 h THR 205 Ca -0.03 -0.30 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 3ky9 h THR 205 Cb 0.99 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3ky9 h THR 205 CO 0.04 0.16 0.01 -0.08 -0.25 0.00 0.00 175.52 175.39 3ky9 h GLU 206 N 0.86 0.08 -0.53 4.72 4.57 -1.49 0.66 114.58 123.44 3ky9 h GLU 206 Ca 0.31 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.56 3ky9 h GLU 206 Cb 0.13 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.64 3ky9 h GLU 206 CO -0.10 0.33 0.07 0.93 -1.18 0.00 0.00 179.01 179.07 3ky9 h GLU 207 N -0.18 0.19 -0.49 1.92 5.08 -0.84 0.35 114.58 120.61 3ky9 h GLU 207 Ca 0.01 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3ky9 h GLU 207 Cb 0.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3ky9 h GLU 207 CO 0.00 0.13 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.79 3ky9 h LYS 208 N 0.20 0.96 -0.11 2.33 1.63 -0.80 -1.84 116.57 118.93 3ky9 h LYS 208 Ca 0.27 -0.37 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3ky9 h LYS 208 Cb 0.40 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 3ky9 h LYS 208 CO -0.39 1.04 0.05 -0.92 -3.45 0.00 0.00 179.45 175.79 3ky9 h TYR 209 N 0.82 0.16 -0.44 1.91 3.20 0.74 -1.82 116.97 121.54 3ky9 h TYR 209 Ca 0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3ky9 h TYR 209 Cb 0.69 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 3ky9 h TYR 209 CO 0.05 0.22 0.24 1.15 -1.64 0.00 0.00 178.16 178.18 3ky9 h THR 210 N 0.06 1.16 0.00 1.81 2.02 -0.19 -1.50 112.91 116.26 3ky9 h THR 210 Ca 0.04 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3ky9 h THR 210 Cb 0.12 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3ky9 h THR 210 CO -0.00 0.16 0.00 -0.90 0.37 0.00 0.00 175.52 175.15 3ky9 n ASP 211 N -4.71 0.77 -0.11 4.18 5.75 -0.70 -2.32 116.55 119.41 3ky9 n ASP 211 Ca 0.01 0.60 -0.11 0.00 -0.01 0.00 0.00 54.79 55.29 3ky9 n ASP 211 Cb 0.08 -0.80 -0.03 0.00 -1.03 0.00 0.00 41.12 39.34 3ky9 n ASP 211 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3ky9 h THR 212 N 0.00 1.25 -0.96 2.12 2.02 -0.39 0.17 112.91 117.11 3ky9 h THR 212 Ca 0.00 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.31 3ky9 h THR 212 Cb 0.62 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 3ky9 h THR 212 CO 0.00 0.30 0.62 -0.07 0.37 0.00 0.00 175.52 176.74 3ky9 h LEU 213 N 0.39 1.03 -0.84 2.58 3.38 -1.14 -0.93 115.31 119.78 3ky9 h LEU 213 Ca 0.10 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3ky9 h LEU 213 Cb 0.41 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3ky9 h LEU 213 CO 0.01 0.69 0.31 1.23 0.09 0.00 0.00 178.44 180.78 3ky9 h GLY 214 N 1.19 1.25 0.98 0.83 0.00 -1.09 -1.53 103.07 104.71 3ky9 h GLY 214 Ca 0.39 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3ky9 h GLY 214 CO -0.14 0.64 0.22 0.23 0.00 0.00 0.00 176.54 177.49 3ky9 h SER 215 N 1.14 0.77 -0.15 0.19 0.87 0.16 0.21 113.55 116.74 3ky9 h SER 215 Ca 0.26 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3ky9 h SER 215 Cb 0.21 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3ky9 h SER 215 CO -0.02 0.73 -0.00 0.40 -0.53 0.00 0.00 176.83 177.41 3ky9 h ILE 216 N 0.76 0.89 0.00 2.23 2.04 -0.63 -0.56 117.51 122.25 3ky9 h ILE 216 Ca 0.18 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.03 3ky9 h ILE 216 Cb 0.21 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3ky9 h ILE 216 CO -0.01 0.01 0.00 1.67 0.00 0.00 0.00 178.15 179.81 3ky9 n GLN 217 N -5.13 0.00 -0.34 2.37 7.27 -0.63 -0.53 117.38 120.39 3ky9 n GLN 217 Ca -0.04 0.27 0.21 0.00 0.07 0.00 0.00 57.00 57.52 3ky9 n GLN 217 Cb 0.09 -1.21 0.44 0.00 2.41 0.00 0.00 30.24 31.97 3ky9 n GLN 217 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3ky9 h GLN 218 N 0.00 0.42 0.00 3.69 1.08 -0.98 -1.39 115.11 117.94 3ky9 h GLN 218 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3ky9 h GLN 218 Cb 0.00 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3ky9 h GLN 218 CO 0.00 0.28 -1.53 0.72 -0.95 0.00 0.00 178.83 177.35 3ky9 n HIS 219 N -4.94 0.00 0.00 2.96 8.25 -0.22 -4.37 115.22 116.90 3ky9 n HIS 219 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 3ky9 n HIS 219 Cb 0.89 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.71 3ky9 n HIS 219 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ky9 n PHE 220 N -1.92 0.00 -0.26 4.41 3.72 -0.39 -4.60 117.46 118.43 3ky9 n PHE 220 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 3ky9 n PHE 220 Cb 0.41 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 39.36 3ky9 n PHE 220 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3ky9 h LEU 221 N 0.00 0.60 0.18 4.37 3.38 -0.19 0.12 115.31 123.77 3ky9 h LEU 221 Ca 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ky9 h LEU 221 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3ky9 h LEU 221 CO 0.00 0.29 -0.09 0.11 0.09 0.00 0.00 178.44 178.84 3ky9 h LYS 222 N 0.63 -0.23 -1.23 1.13 1.57 -1.52 -2.39 116.57 114.52 3ky9 h LYS 222 Ca 0.45 0.02 0.39 0.00 -1.87 0.00 0.00 60.65 59.64 3ky9 h LYS 222 Cb 0.81 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.05 3ky9 h LYS 222 CO -0.20 -0.16 0.78 -1.35 -0.57 0.00 0.00 179.45 177.95 3ky9 h PRO 223 N -0.50 0.16 0.14 3.15 0.11 -1.68 -1.56 132.00 131.83 3ky9 h PRO 223 Ca -0.02 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.78 3ky9 h PRO 223 Cb 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3ky9 h PRO 223 CO 0.04 0.10 -1.41 -0.07 -0.21 0.00 0.00 178.00 176.46 3ky9 h LEU 224 N 0.16 0.47 -0.43 2.35 3.38 -0.86 -3.35 115.31 117.03 3ky9 h LEU 224 Ca 0.77 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 58.24 3ky9 h LEU 224 Cb 2.27 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 42.80 3ky9 h LEU 224 CO -0.42 1.45 -0.16 0.00 0.09 0.00 0.00 178.44 179.41 3ky9 n GLN 225 N -3.53 -0.09 -0.19 1.13 6.02 -0.58 -0.31 117.38 119.83 3ky9 n GLN 225 Ca -0.13 0.67 -0.07 0.00 -0.01 0.00 0.00 57.00 57.45 3ky9 n GLN 225 Cb 1.04 -0.99 0.02 0.00 1.02 0.00 0.00 30.24 31.33 3ky9 n GLN 225 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ky9 h ARG 226 N 0.00 0.75 -0.18 -1.09 3.08 -1.71 -3.10 114.38 112.14 3ky9 h ARG 226 Ca 0.16 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 3ky9 h ARG 226 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3ky9 h ARG 226 CO -0.43 0.60 -0.36 0.74 -1.07 0.00 0.00 179.97 179.45 3ky9 h PHE 227 N 0.71 0.44 -3.45 3.04 -1.00 -0.88 -3.46 116.94 112.34 3ky9 h PHE 227 Ca 0.19 -0.11 -0.66 0.00 2.81 0.00 0.00 57.97 60.20 3ky9 h PHE 227 Cb 0.07 -0.10 -0.14 0.00 3.61 0.00 0.00 35.95 39.40 3ky9 h PHE 227 CO -0.01 0.69 -0.70 -0.51 -1.61 0.00 0.00 178.31 176.17 3ky9 s LEU 228 N -8.44 3.27 0.34 1.54 1.43 -1.04 -5.09 118.68 110.69 3ky9 s LEU 228 Ca -0.06 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 3ky9 s LEU 228 Cb 0.13 -2.02 -0.11 0.00 0.03 0.00 0.00 46.19 44.22 3ky9 s LEU 228 CO 0.79 0.18 1.48 -0.54 0.23 0.00 0.00 176.35 178.49 3ky9 s LYS 229 N -2.23 4.17 -0.15 1.70 1.02 -1.26 -4.83 119.74 118.16 3ky9 s LYS 229 Ca 0.23 2.49 -0.01 0.00 0.02 0.00 0.00 55.97 58.70 3ky9 s LYS 229 Cb -0.11 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 3ky9 s LYS 229 CO 0.16 -0.49 1.16 -2.30 -0.92 0.00 0.00 175.35 172.96 3ky9 n PRO 230 N 1.07 0.45 0.00 -1.68 -0.02 -1.26 0.38 135.00 133.94 3ky9 n PRO 230 Ca 0.03 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 3ky9 n PRO 230 Cb 0.39 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3ky9 n PRO 230 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ky9 n GLN 231 N 4.05 0.06 -0.09 -0.52 10.64 -1.26 -4.56 117.38 125.69 3ky9 n GLN 231 Ca 0.10 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.15 3ky9 n GLN 231 Cb 0.07 -0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.34 3ky9 n GLN 231 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3ky9 n ASP 232 N 0.00 1.68 -0.06 2.61 10.43 0.16 -4.67 116.55 126.70 3ky9 n ASP 232 Ca 0.00 -0.06 -0.04 0.00 2.57 0.00 0.00 54.79 57.26 3ky9 n ASP 232 Cb 0.00 0.26 -0.11 0.00 1.84 0.00 0.00 41.12 43.11 3ky9 n ASP 232 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ky9 n ILE 233 N -2.87 0.79 0.15 0.53 0.13 -1.08 -4.40 119.36 112.62 3ky9 n ILE 233 Ca -0.32 -0.55 0.19 0.00 -1.10 0.00 0.00 62.75 60.97 3ky9 n ILE 233 Cb 0.96 -0.49 0.75 0.00 -0.84 0.00 0.00 39.64 40.02 3ky9 n ILE 233 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 3ky9 h GLU 234 N 0.00 0.00 0.16 9.51 4.81 -1.80 -1.51 114.58 125.75 3ky9 h GLU 234 Ca -0.31 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 3ky9 h GLU 234 Cb 1.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.04 3ky9 h GLU 234 CO 0.02 0.00 -0.08 0.82 -0.73 0.00 0.00 179.01 179.04 3ky9 h ILE 235 N 0.00 0.93 0.16 2.32 2.04 -1.83 -3.32 117.51 117.81 3ky9 h ILE 235 Ca 0.15 -0.37 -0.22 0.00 1.00 0.00 0.00 64.86 65.41 3ky9 h ILE 235 Cb 1.02 1.15 0.03 0.00 -0.74 0.00 0.00 36.82 38.28 3ky9 h ILE 235 CO -0.00 0.09 -0.97 0.40 0.00 0.00 0.00 178.15 177.67 3ky9 h ILE 236 N -0.39 1.45 0.25 -0.67 5.03 -1.57 -3.39 117.51 118.21 3ky9 h ILE 236 Ca -0.02 -2.54 0.01 0.00 -0.12 0.00 0.00 64.86 62.19 3ky9 h ILE 236 Cb 0.31 3.11 -0.02 0.00 -3.03 0.00 0.00 36.82 37.18 3ky9 h ILE 236 CO 0.04 0.73 -0.28 0.15 -0.68 0.00 0.00 178.15 178.10 3ky9 h PHE 237 N -0.21 -0.76 -0.95 1.37 3.57 -1.55 -0.68 116.94 117.73 3ky9 h PHE 237 Ca -0.17 0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.54 3ky9 h PHE 237 Cb 1.75 0.30 -0.11 0.00 2.79 0.00 0.00 35.95 40.68 3ky9 h PHE 237 CO 0.18 -0.41 0.52 0.82 -2.23 0.00 0.00 178.31 177.19 3ky9 h ILE 238 N -0.58 0.62 0.44 1.41 2.04 -1.78 0.15 117.51 119.81 3ky9 h ILE 238 Ca -0.00 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3ky9 h ILE 238 Cb 0.55 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3ky9 h ILE 238 CO -0.08 0.11 -0.21 0.78 0.00 0.00 0.00 178.15 178.75 3ky9 h ASN 239 N 0.61 -0.50 -0.71 1.72 2.35 -1.62 -2.34 115.58 115.09 3ky9 h ASN 239 Ca 0.57 0.02 0.14 0.00 -0.55 0.00 0.00 56.30 56.48 3ky9 h ASN 239 Cb 0.96 0.13 -0.10 0.00 0.05 0.00 0.00 38.32 39.36 3ky9 h ASN 239 CO -0.43 -0.22 0.19 0.40 -1.65 0.00 0.00 177.43 175.72 3ky9 h ILE 240 N -0.87 0.57 -0.16 2.81 1.08 -0.92 -0.43 117.51 119.60 3ky9 h ILE 240 Ca -0.06 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3ky9 h ILE 240 Cb 0.45 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 3ky9 h ILE 240 CO 0.10 0.05 0.06 -0.08 -0.69 0.00 0.00 178.15 177.59 3ky9 h GLU 241 N 0.30 0.23 -0.99 2.37 4.22 -0.78 0.24 114.58 120.16 3ky9 h GLU 241 Ca 0.39 -0.04 0.10 0.00 0.08 0.00 0.00 59.36 59.88 3ky9 h GLU 241 Cb 0.63 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 3ky9 h GLU 241 CO -0.46 0.32 0.63 -0.44 -2.18 0.00 0.00 179.01 176.88 3ky9 h ASP 242 N 0.10 0.96 -0.48 1.04 5.19 -1.05 -0.95 116.42 121.22 3ky9 h ASP 242 Ca 0.05 0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.37 3ky9 h ASP 242 Cb 0.17 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 3ky9 h ASP 242 CO -0.00 0.56 -0.16 -0.07 -3.12 0.00 0.00 179.24 176.45 3ky9 h LEU 243 N 1.06 0.99 -0.63 1.55 4.07 -0.45 -1.97 115.31 119.94 3ky9 h LEU 243 Ca 0.46 -0.35 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 3ky9 h LEU 243 Cb 0.35 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 3ky9 h LEU 243 CO -0.22 1.13 0.26 0.25 -1.08 0.00 0.00 178.44 178.79 3ky9 h LEU 244 N 0.86 0.85 -0.01 1.67 5.85 0.09 -1.45 115.31 123.18 3ky9 h LEU 244 Ca 0.13 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3ky9 h LEU 244 Cb 0.72 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3ky9 h LEU 244 CO 0.06 0.78 0.00 -0.09 -0.34 0.00 0.00 178.44 178.85 3ky9 h ARG 245 N 0.87 0.02 -0.44 1.25 2.43 -1.12 0.50 114.38 117.89 3ky9 h ARG 245 Ca 0.21 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3ky9 h ARG 245 Cb 0.18 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 3ky9 h ARG 245 CO -0.02 0.30 0.14 0.28 -1.51 0.00 0.00 179.97 179.16 3ky9 h VAL 246 N -0.26 0.84 -0.18 0.20 2.07 -1.32 -2.08 116.25 115.52 3ky9 h VAL 246 Ca 0.00 -0.10 -0.22 0.00 0.82 0.00 0.00 66.70 67.20 3ky9 h VAL 246 Cb 0.29 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3ky9 h VAL 246 CO 0.00 0.06 -0.74 0.45 0.02 0.00 0.00 177.57 177.36 3ky9 h HIS 247 N 0.30 1.08 -0.74 1.57 3.86 -1.24 0.21 115.15 120.19 3ky9 h HIS 247 Ca 0.21 -0.46 0.14 0.00 -1.16 0.00 0.00 60.37 59.10 3ky9 h HIS 247 Cb 0.21 -0.17 -0.09 0.00 1.06 0.00 0.00 27.41 28.42 3ky9 h HIS 247 CO -0.16 1.29 0.28 1.15 0.86 0.00 0.00 177.93 181.35 3ky9 h THR 248 N 0.57 0.65 -0.07 2.45 2.02 -0.76 0.56 112.91 118.34 3ky9 h THR 248 Ca -0.04 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 3ky9 h THR 248 Cb 1.36 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3ky9 h THR 248 CO 0.15 0.08 -0.11 0.45 0.37 0.00 0.00 175.52 176.46 3ky9 h HIS 249 N 0.42 0.23 -0.56 3.16 3.86 -1.29 -3.07 115.15 117.91 3ky9 h HIS 249 Ca 0.40 -0.08 0.11 0.00 -1.16 0.00 0.00 60.37 59.64 3ky9 h HIS 249 Cb 0.61 -0.05 -0.11 0.00 1.06 0.00 0.00 27.41 28.93 3ky9 h HIS 249 CO -0.18 0.69 -0.19 0.35 0.86 0.00 0.00 177.93 179.46 3ky9 h PHE 250 N -0.28 -0.44 -0.91 2.45 3.57 0.43 -1.76 116.94 120.00 3ky9 h PHE 250 Ca 0.01 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3ky9 h PHE 250 Cb 0.66 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 3ky9 h PHE 250 CO 0.11 -0.28 0.54 1.25 -2.23 0.00 0.00 178.31 177.70 3ky9 h LEU 251 N -0.05 1.10 -0.17 0.59 5.85 0.03 0.16 115.31 122.81 3ky9 h LEU 251 Ca 0.26 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3ky9 h LEU 251 Cb 0.46 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3ky9 h LEU 251 CO -0.60 0.84 -0.00 0.11 -0.34 0.00 0.00 178.44 178.46 3ky9 h LYS 252 N 1.26 0.05 -0.04 1.25 1.57 -1.23 0.01 116.57 119.44 3ky9 h LYS 252 Ca 0.33 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.98 3ky9 h LYS 252 Cb -0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3ky9 h LYS 252 CO -0.06 0.04 -0.55 0.93 -0.57 0.00 0.00 179.45 179.23 3ky9 h GLU 253 N 0.06 0.12 -0.19 3.15 5.08 -0.97 -2.13 114.58 119.69 3ky9 h GLU 253 Ca 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ky9 h GLU 253 Cb 0.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3ky9 h GLU 253 CO -0.14 0.64 0.07 1.98 -1.00 0.00 0.00 179.01 180.56 3ky9 h MET 254 N 0.09 0.28 -0.36 2.33 4.05 -0.47 -2.73 114.93 118.11 3ky9 h MET 254 Ca -0.00 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3ky9 h MET 254 Cb 1.00 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.74 3ky9 h MET 254 CO 0.08 0.36 0.23 0.87 0.23 0.00 0.00 176.91 178.68 3ky9 h LYS 255 N 0.15 0.46 0.25 0.39 1.57 -0.77 -2.46 116.57 116.16 3ky9 h LYS 255 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3ky9 h LYS 255 Cb 0.18 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3ky9 h LYS 255 CO -0.00 0.30 -0.23 0.93 -0.57 0.00 0.00 179.45 179.88 3ky9 h GLU 256 N 0.47 -0.48 0.00 3.15 5.08 -1.41 -1.16 114.58 120.23 3ky9 h GLU 256 Ca 0.14 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3ky9 h GLU 256 Cb -0.04 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3ky9 h GLU 256 CO -0.04 -0.32 -0.00 0.00 -1.00 0.00 0.00 179.01 177.65 3ky9 h ALA 257 N 0.18 1.07 0.15 3.43 0.00 -1.35 -2.23 119.26 120.52 3ky9 h ALA 257 Ca -0.01 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 3ky9 h ALA 257 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ky9 h ALA 257 CO -0.04 0.00 -1.65 -0.07 0.00 0.00 0.00 179.25 177.50 3ky9 h LEU 258 N 0.00 0.51 -0.22 0.00 3.38 -0.99 -3.39 115.31 114.61 3ky9 h LEU 258 Ca -0.00 -0.91 -0.00 0.00 0.09 0.00 0.00 57.88 57.06 3ky9 h LEU 258 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3ky9 h LEU 258 CO 0.00 1.73 0.13 1.23 0.09 0.00 0.00 178.44 181.63 3ky9 h GLY 259 N 0.47 0.32 -4.60 0.83 0.00 -0.63 -3.42 103.07 96.05 3ky9 h GLY 259 Ca -0.34 -0.13 -0.61 0.00 0.00 0.00 0.00 47.33 46.25 3ky9 h GLY 259 CO 0.12 0.13 0.25 -1.30 0.00 0.00 0.00 176.54 175.74 3ky9 n THR 260 N -4.91 1.63 -1.40 4.70 -2.24 -1.01 -4.85 114.28 106.20 3ky9 n THR 260 Ca -0.03 -0.41 -0.44 0.00 -2.27 0.00 0.00 64.05 60.91 3ky9 n THR 260 Cb 0.05 -1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 67.20 3ky9 n THR 260 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ky9 n PRO 261 N 1.09 0.28 0.00 -0.78 -0.02 -1.26 -2.83 135.00 131.49 3ky9 n PRO 261 Ca 0.11 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3ky9 n PRO 261 Cb 0.31 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 3ky9 n PRO 261 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ky9 n GLY 262 N 1.98 1.32 1.26 -1.23 0.00 -1.26 -4.45 105.19 102.81 3ky9 n GLY 262 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 3ky9 n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ky9 n ALA 263 N 0.00 -0.25 0.70 4.61 0.00 -1.13 -5.00 120.51 119.43 3ky9 n ALA 263 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3ky9 n ALA 263 Cb 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 3ky9 n ALA 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ky9 n ALA 264 N -1.29 3.25 1.26 0.00 0.00 -1.26 -4.15 120.51 118.32 3ky9 n ALA 264 Ca -0.01 -0.52 0.14 0.00 0.00 0.00 0.00 53.44 53.05 3ky9 n ALA 264 Cb 0.51 -0.55 0.62 0.00 0.00 0.00 0.00 19.45 20.03 3ky9 n ALA 264 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ky9 n ASN 265 N -0.29 0.21 -0.22 0.00 5.15 -1.26 -4.24 115.26 114.62 3ky9 n ASN 265 Ca 0.06 -0.12 -0.07 0.00 -0.60 0.00 0.00 54.58 53.85 3ky9 n ASN 265 Cb 0.32 -0.21 0.03 0.00 -0.53 0.00 0.00 39.78 39.38 3ky9 n ASN 265 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3ky9 h LEU 266 N 0.18 0.83 -1.67 1.20 5.85 -1.78 -1.50 115.31 118.41 3ky9 h LEU 266 Ca 0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3ky9 h LEU 266 Cb 0.39 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3ky9 h LEU 266 CO 0.00 0.76 0.21 0.10 -0.34 0.00 0.00 178.44 179.17 3ky9 h TYR 267 N 0.84 0.00 0.13 1.25 -0.00 -1.88 -1.84 116.97 115.46 3ky9 h TYR 267 Ca 0.20 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 58.59 3ky9 h TYR 267 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.91 3ky9 h TYR 267 CO 0.01 0.00 -1.77 0.37 -0.00 0.00 0.00 178.16 176.76 3ky9 h GLN 268 N 0.00 0.27 -0.38 0.10 4.15 -1.56 -3.23 115.11 114.46 3ky9 h GLN 268 Ca 0.00 -0.46 0.05 0.00 0.77 0.00 0.00 58.65 59.01 3ky9 h GLN 268 Cb 0.42 0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.23 3ky9 h GLN 268 CO 0.00 1.14 0.10 0.28 -1.93 0.00 0.00 178.83 178.41 3ky9 h VAL 269 N 0.07 0.84 -0.33 2.39 2.07 -1.34 0.87 116.25 120.81 3ky9 h VAL 269 Ca -0.34 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.14 3ky9 h VAL 269 Cb 2.05 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 3ky9 h VAL 269 CO 0.13 0.04 0.10 -0.26 0.02 0.00 0.00 177.57 177.61 3ky9 h PHE 270 N 0.23 0.18 -0.33 1.57 0.04 -1.68 -2.06 116.94 114.89 3ky9 h PHE 270 Ca 0.18 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.86 3ky9 h PHE 270 Cb 0.19 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3ky9 h PHE 270 CO -0.18 0.07 -0.20 0.82 -0.60 0.00 0.00 178.31 178.22 3ky9 h ILE 271 N 0.24 1.29 -0.93 -0.55 2.04 -1.51 -2.82 117.51 115.27 3ky9 h ILE 271 Ca 0.15 -1.34 0.13 0.00 1.00 0.00 0.00 64.86 64.80 3ky9 h ILE 271 Cb 0.14 1.43 -0.09 0.00 -0.74 0.00 0.00 36.82 37.56 3ky9 h ILE 271 CO -0.17 0.44 0.55 0.50 0.00 0.00 0.00 178.15 179.47 3ky9 h LYS 272 N 0.50 0.81 -0.19 2.37 3.64 -0.73 -2.52 116.57 120.46 3ky9 h LYS 272 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3ky9 h LYS 272 Cb 0.75 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3ky9 h LYS 272 CO 0.06 0.54 0.00 0.66 -2.27 0.00 0.00 179.45 178.44 3ky9 n TYR 273 N -4.72 0.24 0.13 1.91 4.01 -0.78 -4.52 117.16 113.42 3ky9 n TYR 273 Ca 0.18 -0.12 -0.14 0.00 -0.16 0.00 0.00 57.90 57.66 3ky9 n TYR 273 Cb 0.38 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.34 3ky9 n TYR 273 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3ky9 h LYS 274 N 2.66 -0.23 -0.28 -0.72 3.64 -1.19 -1.58 116.57 118.86 3ky9 h LYS 274 Ca 0.00 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3ky9 h LYS 274 Cb 0.58 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3ky9 h LYS 274 CO 0.00 -0.15 -0.17 1.05 -2.27 0.00 0.00 179.45 177.90 3ky9 h GLU 275 N -0.24 0.51 -0.81 1.90 4.11 -1.81 -1.03 114.58 117.20 3ky9 h GLU 275 Ca -0.02 -0.16 0.05 0.00 0.07 0.00 0.00 59.36 59.30 3ky9 h GLU 275 Cb 0.19 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3ky9 h GLU 275 CO 0.04 0.66 0.53 0.00 0.07 0.00 0.00 179.01 180.31 3ky9 h ARG 276 N 0.46 0.90 0.00 1.06 3.08 -1.80 -2.18 114.38 115.91 3ky9 h ARG 276 Ca 0.08 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3ky9 h ARG 276 Cb 0.57 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3ky9 h ARG 276 CO 0.04 0.60 0.00 1.19 -1.07 0.00 0.00 179.97 180.72 3ky9 n PHE 277 N -4.47 0.00 0.45 3.04 3.72 -0.40 -3.11 117.46 116.69 3ky9 n PHE 277 Ca 0.12 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.61 3ky9 n PHE 277 Cb 0.18 -0.25 0.40 0.00 -0.94 0.00 0.00 39.48 38.88 3ky9 n PHE 277 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3ky9 n LEU 278 N -1.25 0.34 0.32 4.37 4.77 -0.82 -1.56 117.00 123.18 3ky9 n LEU 278 Ca 0.10 0.58 0.20 0.00 -0.03 0.00 0.00 56.01 56.86 3ky9 n LEU 278 Cb 0.14 -0.54 1.11 0.00 -2.33 0.00 0.00 43.42 41.80 3ky9 n LEU 278 CO 0.14 -0.40 1.17 -0.37 -1.33 0.00 0.00 177.39 176.60 3ky9 h VAL 279 N 0.00 0.18 0.00 4.08 -1.51 -1.76 -1.29 116.25 115.95 3ky9 h VAL 279 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3ky9 h VAL 279 Cb 0.31 0.98 -0.00 0.00 -2.13 0.00 0.00 31.29 30.46 3ky9 h VAL 279 CO 0.00 0.00 -0.01 1.88 -1.23 0.00 0.00 177.57 178.21 3ky9 h TYR 280 N 0.00 0.00 0.42 5.19 0.05 -1.58 -0.65 116.97 120.40 3ky9 h TYR 280 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3ky9 h TYR 280 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 3ky9 h TYR 280 CO 0.00 0.01 -0.20 0.78 -1.05 0.00 0.00 178.16 177.70 3ky9 h GLY 281 N 0.08 -0.59 0.55 3.88 0.00 -1.46 0.41 103.07 105.94 3ky9 h GLY 281 Ca -0.00 0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.61 3ky9 h GLY 281 CO 0.00 -0.21 0.18 -0.09 0.00 0.00 0.00 176.54 176.42 3ky9 h ARG 282 N -0.71 0.34 0.83 4.80 2.43 -1.55 -2.90 114.38 117.62 3ky9 h ARG 282 Ca -0.06 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 3ky9 h ARG 282 Cb 0.51 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3ky9 h ARG 282 CO 0.09 0.23 -0.41 -0.92 -1.51 0.00 0.00 179.97 177.45 3ky9 h TYR 283 N 0.35 -1.08 0.00 2.20 3.20 -1.01 -0.66 116.97 119.98 3ky9 h TYR 283 Ca 0.23 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3ky9 h TYR 283 Cb 0.24 0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3ky9 h TYR 283 CO -0.16 -0.66 0.00 0.00 -1.64 0.00 0.00 178.16 175.70 3ky9 n SER 285 N 0.20 2.33 -0.03 0.00 2.88 -1.02 -4.64 113.62 113.33 3ky9 n SER 285 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 3ky9 n SER 285 Cb 0.20 0.07 -0.15 0.00 -0.75 0.00 0.00 64.21 63.58 3ky9 n SER 285 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ky9 n GLN 286 N -1.87 0.66 0.06 -1.46 6.02 -0.28 -4.66 117.38 115.85 3ky9 n GLN 286 Ca 0.00 -0.05 -0.15 0.00 -0.01 0.00 0.00 57.00 56.79 3ky9 n GLN 286 Cb 0.27 -1.58 -0.09 0.00 1.02 0.00 0.00 30.24 29.87 3ky9 n GLN 286 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 3ky9 h VAL 287 N 0.00 0.05 0.00 5.09 3.04 -1.03 -1.84 116.25 121.56 3ky9 h VAL 287 Ca -0.23 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3ky9 h VAL 287 Cb 1.56 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 3ky9 h VAL 287 CO 0.02 0.00 0.11 -0.62 -1.01 0.00 0.00 177.57 176.07 3ky9 n GLU 288 N -5.46 0.08 -0.11 4.17 1.02 -1.26 -1.15 120.64 117.93 3ky9 n GLU 288 Ca -0.07 0.55 -0.17 0.00 -0.02 0.00 0.00 57.16 57.46 3ky9 n GLU 288 Cb 0.39 -1.88 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 3ky9 n GLU 288 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3ky9 n SER 289 N -1.94 2.18 0.24 1.62 3.41 -0.75 -3.28 113.62 115.10 3ky9 n SER 289 Ca -0.01 -0.08 0.09 0.00 -0.26 0.00 0.00 58.87 58.61 3ky9 n SER 289 Cb 0.13 -0.40 0.60 0.00 -0.26 0.00 0.00 64.21 64.28 3ky9 n SER 289 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ky9 h ALA 290 N -0.09 1.39 0.05 7.33 0.00 -1.06 -0.86 119.26 126.03 3ky9 h ALA 290 Ca -0.52 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 53.99 3ky9 h ALA 290 Cb 1.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3ky9 h ALA 290 CO -0.11 0.23 -1.09 1.03 0.00 0.00 0.00 179.25 179.31 3ky9 h SER 291 N 0.00 0.19 0.89 0.00 0.87 -1.31 0.67 113.55 114.85 3ky9 h SER 291 Ca -0.00 -0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.22 3ky9 h SER 291 Cb 0.40 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3ky9 h SER 291 CO 0.02 1.14 -0.66 0.11 -0.53 0.00 0.00 176.83 176.92 3ky9 h LYS 292 N 0.04 0.00 -0.18 2.24 1.57 -1.50 -2.52 116.57 116.22 3ky9 h LYS 292 Ca -0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3ky9 h LYS 292 Cb 1.84 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.15 3ky9 h LYS 292 CO 0.16 0.66 -0.21 1.25 -0.57 0.00 0.00 179.45 180.74 3ky9 h HIS 293 N 0.00 0.55 -0.69 -1.35 2.76 -1.06 -2.19 115.15 113.16 3ky9 h HIS 293 Ca -0.01 -0.17 0.13 0.00 -2.20 0.00 0.00 60.37 58.12 3ky9 h HIS 293 Cb 1.28 -0.11 -0.09 0.00 1.55 0.00 0.00 27.41 30.04 3ky9 h HIS 293 CO 0.00 0.84 0.24 1.25 -1.30 0.00 0.00 177.93 178.96 3ky9 h LEU 294 N 0.10 0.19 -1.89 0.26 5.85 -0.88 -1.22 115.31 117.74 3ky9 h LEU 294 Ca 0.02 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3ky9 h LEU 294 Cb 0.76 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3ky9 h LEU 294 CO 0.05 0.08 -0.06 0.44 -0.34 0.00 0.00 178.44 178.61 3ky9 h ASP 295 N 0.39 0.00 0.65 1.25 3.32 -1.19 -2.64 116.42 118.21 3ky9 h ASP 295 Ca 0.37 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.15 3ky9 h ASP 295 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3ky9 h ASP 295 CO -0.39 0.06 -1.28 0.03 -1.72 0.00 0.00 179.24 175.94 3ky9 h ARG 296 N 0.00 0.21 0.00 3.56 3.08 -0.62 -2.96 114.38 117.66 3ky9 h ARG 296 Ca -0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3ky9 h ARG 296 Cb 0.38 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3ky9 h ARG 296 CO 0.01 1.13 0.00 0.28 -1.07 0.00 0.00 179.97 180.32 3ky9 n VAL 297 N -3.46 0.00 -0.02 2.04 0.31 -0.76 -2.54 118.33 113.90 3ky9 n VAL 297 Ca -0.09 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3ky9 n VAL 297 Cb 1.01 -0.46 -0.00 0.00 -0.91 0.00 0.00 33.84 33.48 3ky9 n VAL 297 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ky9 h ALA 298 N 3.24 0.00 -0.70 3.52 0.00 -1.32 -3.29 119.26 120.72 3ky9 h ALA 298 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3ky9 h ALA 298 Cb 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 3ky9 h ALA 298 CO 0.00 0.01 0.35 0.00 0.00 0.00 0.00 179.25 179.60 3ky9 h ALA 299 N -1.56 0.96 0.00 0.00 0.00 -1.66 -2.70 119.26 114.30 3ky9 h ALA 299 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ky9 h ALA 299 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ky9 h ALA 299 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.20 3ky9 n ALA 300 N -2.41 2.19 -3.53 0.00 0.00 -1.05 -4.67 120.51 111.05 3ky9 n ALA 300 Ca 0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 3ky9 n ALA 300 Cb 0.26 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 3ky9 n ALA 300 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ky9 s ARG 301 N -2.00 0.96 -0.20 0.00 0.52 -1.02 -5.01 118.95 112.20 3ky9 s ARG 301 Ca 0.03 0.44 -0.13 0.00 -0.52 0.00 0.00 55.73 55.55 3ky9 s ARG 301 Cb 0.01 0.45 -0.20 0.00 0.52 0.00 0.00 34.95 35.74 3ky9 s ARG 301 CO 0.02 -0.25 0.11 0.39 0.02 0.00 0.00 175.30 175.59 3ky9 n GLU 302 N 1.48 0.64 0.05 3.54 1.02 -1.26 -3.46 120.64 122.65 3ky9 n GLU 302 Ca -0.18 0.37 0.03 0.00 -0.02 0.00 0.00 57.16 57.36 3ky9 n GLU 302 Cb 0.56 -1.66 0.15 0.00 -0.02 0.00 0.00 31.44 30.47 3ky9 n GLU 302 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ky9 n ASP 303 N -3.96 0.14 -0.03 1.62 5.75 -1.26 -1.67 116.55 117.13 3ky9 n ASP 303 Ca -0.38 0.48 -0.03 0.00 -0.01 0.00 0.00 54.79 54.85 3ky9 n ASP 303 Cb 0.87 -0.49 -0.01 0.00 -1.03 0.00 0.00 41.12 40.46 3ky9 n ASP 303 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3ky9 n VAL 304 N -1.64 0.59 -0.45 2.12 0.31 -1.26 -4.11 118.33 113.89 3ky9 n VAL 304 Ca -0.00 0.36 0.38 0.00 -0.01 0.00 0.00 64.34 65.07 3ky9 n VAL 304 Cb 0.12 -1.82 0.66 0.00 -0.91 0.00 0.00 33.84 31.89 3ky9 n VAL 304 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3ky9 h GLN 305 N -0.39 0.02 0.00 5.55 5.75 -1.55 0.84 115.11 125.34 3ky9 h GLN 305 Ca 0.00 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 3ky9 h GLN 305 Cb 0.39 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3ky9 h GLN 305 CO 0.00 0.02 -0.52 1.98 -2.65 0.00 0.00 178.83 177.66 3ky9 h MET 306 N 0.02 0.00 0.00 1.69 4.05 -1.55 -3.33 114.93 115.81 3ky9 h MET 306 Ca 0.87 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 60.07 3ky9 h MET 306 Cb 2.70 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 33.46 3ky9 h MET 306 CO -0.50 0.52 -1.61 1.17 0.23 0.00 0.00 176.91 176.71 3ky9 n LYS 307 N -3.45 0.63 0.00 0.39 4.81 0.29 -3.54 118.16 117.28 3ky9 n LYS 307 Ca 0.00 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 3ky9 n LYS 307 Cb 0.64 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.92 3ky9 n LYS 307 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3ky9 n LEU 308 N -2.90 0.23 -0.04 3.14 4.77 -0.92 -0.74 117.00 120.53 3ky9 n LEU 308 Ca -0.14 -0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 55.71 3ky9 n LEU 308 Cb 0.93 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.79 3ky9 n LEU 308 CO 0.44 0.06 -0.84 -0.62 -1.33 0.00 0.00 177.39 175.10 3ky9 n GLU 309 N -0.38 1.38 0.06 3.23 1.02 -1.23 -4.06 120.64 120.66 3ky9 n GLU 309 Ca 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 57.16 57.06 3ky9 n GLU 309 Cb 0.06 -1.33 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 3ky9 n GLU 309 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3ky9 h GLU 310 N 0.00 -0.18 -0.98 3.49 4.81 -1.17 0.14 114.58 120.69 3ky9 h GLU 310 Ca -0.24 0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.29 3ky9 h GLU 310 Cb 1.41 0.04 -0.18 0.00 0.63 0.00 0.00 28.75 30.65 3ky9 h GLU 310 CO 0.01 -0.12 0.09 0.00 -0.73 0.00 0.00 179.01 178.27 3ky9 h SER 312 N 0.02 -0.30 -0.71 0.00 0.87 -1.70 0.18 113.55 111.90 3ky9 h SER 312 Ca 0.62 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 61.36 3ky9 h SER 312 Cb 1.34 0.08 -0.12 0.00 -0.44 0.00 0.00 62.40 63.26 3ky9 h SER 312 CO -0.89 -0.20 0.01 -0.61 -0.53 0.00 0.00 176.83 174.61 3ky9 h GLN 313 N -0.32 0.11 0.80 2.24 5.75 0.10 -1.96 115.11 121.83 3ky9 h GLN 313 Ca -0.03 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 3ky9 h GLN 313 Cb 0.25 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 28.78 3ky9 h GLN 313 CO 0.04 0.07 -0.38 -0.09 -2.65 0.00 0.00 178.83 175.83 3ky9 h ARG 314 N 0.12 -1.03 -0.10 1.69 2.43 0.12 0.74 114.38 118.34 3ky9 h ARG 314 Ca 0.39 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.67 3ky9 h ARG 314 Cb 0.66 0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.39 3ky9 h ARG 314 CO -0.62 -0.69 -0.29 0.00 -1.51 0.00 0.00 179.97 176.87 3ky9 h ALA 315 N -1.47 -0.33 0.00 2.80 0.00 -0.11 -3.32 119.26 116.83 3ky9 h ALA 315 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ky9 h ALA 315 Cb 0.82 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3ky9 h ALA 315 CO 0.18 -0.77 -0.01 0.27 0.00 0.00 0.00 179.25 178.92 3ky9 n ASN 316 N -5.39 0.94 -1.95 0.00 0.23 -0.79 -5.01 115.26 103.29 3ky9 n ASN 316 Ca -0.03 -1.52 -0.13 0.00 -0.53 0.00 0.00 54.58 52.36 3ky9 n ASN 316 Cb 0.31 -0.02 0.03 0.00 -2.08 0.00 0.00 39.78 38.02 3ky9 n ASN 316 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3ky9 n ASN 317 N -0.26 -4.27 -0.04 0.53 5.15 0.25 -3.79 115.26 112.83 3ky9 n ASN 317 Ca 0.00 -0.20 -0.01 0.00 -0.60 0.00 0.00 54.58 53.78 3ky9 n ASN 317 Cb 0.40 -3.08 -0.00 0.00 -0.53 0.00 0.00 39.78 36.57 3ky9 n ASN 317 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ky9 n GLY 318 N -1.24 0.48 0.19 8.20 0.00 -1.18 -4.85 105.19 106.78 3ky9 n GLY 318 Ca -0.05 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.74 3ky9 n GLY 318 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ky9 h ARG 319 N 0.62 0.00 -3.14 1.61 3.08 -1.87 -3.45 114.38 111.24 3ky9 h ARG 319 Ca -0.01 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 3ky9 h ARG 319 Cb 0.09 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 29.79 3ky9 h ARG 319 CO 0.02 0.11 -0.63 -0.06 -1.07 0.00 0.00 179.97 178.34 3ky9 s PHE 320 N -3.16 -0.17 0.75 3.04 0.40 -1.26 -5.13 117.98 112.45 3ky9 s PHE 320 Ca 0.06 0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 56.84 3ky9 s PHE 320 Cb 0.06 -0.22 0.04 0.00 0.51 0.00 0.00 43.02 43.41 3ky9 s PHE 320 CO 0.70 -0.24 1.09 0.95 0.70 0.00 0.00 175.22 178.42 3ky9 s THR 321 N 2.01 3.33 0.38 0.64 -4.23 -1.26 -4.76 115.64 111.74 3ky9 s THR 321 Ca 0.00 0.43 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 3ky9 s THR 321 Cb -0.12 -3.27 0.27 0.00 1.34 0.00 0.00 72.50 70.73 3ky9 s THR 321 CO -0.06 -0.56 2.02 0.25 -0.54 0.00 0.00 174.62 175.73 3ky9 h LEU 322 N -0.89 0.61 0.52 4.79 5.85 -1.98 -2.14 115.31 122.07 3ky9 h LEU 322 Ca -0.46 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 3ky9 h LEU 322 Cb 1.26 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3ky9 h LEU 322 CO 0.61 0.43 -0.43 0.03 -0.34 0.00 0.00 178.44 178.74 3ky9 h ARG 323 N 0.71 -0.90 -0.98 1.25 3.08 -1.98 -1.27 114.38 114.29 3ky9 h ARG 323 Ca 0.22 0.06 0.27 0.00 0.07 0.00 0.00 59.98 60.60 3ky9 h ARG 323 Cb -0.01 0.21 -0.18 0.00 0.08 0.00 0.00 29.97 30.07 3ky9 h ARG 323 CO -0.05 -0.60 0.03 -0.44 -1.07 0.00 0.00 179.97 177.84 3ky9 h ASP 324 N -0.94 -0.47 0.54 7.04 3.45 -1.79 -0.83 116.42 123.42 3ky9 h ASP 324 Ca -0.06 0.28 -0.19 0.00 0.43 0.00 0.00 57.03 57.49 3ky9 h ASP 324 Cb 0.80 0.48 -0.01 0.00 -0.56 0.00 0.00 39.33 40.04 3ky9 h ASP 324 CO -0.01 -0.35 -0.83 -0.07 -1.57 0.00 0.00 179.24 176.40 3ky9 h LEU 325 N 0.01 0.26 -1.80 1.55 3.38 -0.84 -3.00 115.31 114.88 3ky9 h LEU 325 Ca 0.60 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 3ky9 h LEU 325 Cb 1.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 3ky9 h LEU 325 CO -0.92 0.98 -0.12 -0.07 0.09 0.00 0.00 178.44 178.41 3ky9 h LEU 326 N 0.12 0.00 -1.28 1.67 3.38 0.01 -1.39 115.31 117.82 3ky9 h LEU 326 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ky9 h LEU 326 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3ky9 h LEU 326 CO 0.13 0.12 0.00 0.24 0.09 0.00 0.00 178.44 179.02 3ky9 h MET 327 N 0.00 0.00 -0.14 1.13 2.86 -1.34 -3.35 114.93 114.08 3ky9 h MET 327 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3ky9 h MET 327 Cb 0.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3ky9 h MET 327 CO 0.02 0.00 -0.01 0.28 1.06 0.00 0.00 176.91 178.25 3ky9 h VAL 328 N 0.00 1.27 -0.88 -2.22 2.07 -1.32 -3.04 116.25 112.12 3ky9 h VAL 328 Ca 0.00 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 66.70 3ky9 h VAL 328 Cb 0.44 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 3ky9 h VAL 328 CO 0.00 0.26 0.54 -0.65 0.02 0.00 0.00 177.57 177.74 3ky9 h PRO 329 N -0.02 0.92 -0.94 1.57 0.11 -1.73 0.40 132.00 132.32 3ky9 h PRO 329 Ca 0.04 -0.06 0.12 0.00 0.11 0.00 0.00 66.00 66.21 3ky9 h PRO 329 Cb 0.41 -0.21 -0.07 0.00 0.11 0.00 0.00 31.00 31.23 3ky9 h PRO 329 CO 0.01 0.61 0.60 0.52 -0.21 0.00 0.00 178.00 179.53 3ky9 h MET 330 N 0.95 0.87 -0.03 1.05 2.86 -1.75 -2.09 114.93 116.78 3ky9 h MET 330 Ca 0.40 -0.05 -0.26 0.00 -2.06 0.00 0.00 59.70 57.73 3ky9 h MET 330 Cb 0.25 -0.20 0.02 0.00 0.06 0.00 0.00 31.60 31.73 3ky9 h MET 330 CO -0.20 0.57 -0.98 1.96 1.06 0.00 0.00 176.91 179.32 3ky9 h GLN 331 N 0.89 0.71 -0.21 1.72 1.08 -1.19 -3.31 115.11 114.81 3ky9 h GLN 331 Ca 0.46 -0.72 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 3ky9 h GLN 331 Cb 0.50 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 3ky9 h GLN 331 CO -0.22 1.30 0.07 -0.09 -0.95 0.00 0.00 178.83 178.94 3ky9 h ARG 332 N 0.42 0.33 -0.41 1.46 9.65 -0.30 -2.76 114.38 122.77 3ky9 h ARG 332 Ca -0.11 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.70 3ky9 h ARG 332 Cb 1.63 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 30.14 3ky9 h ARG 332 CO 0.19 0.42 0.25 -0.24 2.80 0.00 0.00 179.97 183.39 3ky9 h VAL 333 N 0.18 1.12 0.00 0.20 3.04 -1.56 -0.89 116.25 118.33 3ky9 h VAL 333 Ca 0.07 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3ky9 h VAL 333 Cb 0.22 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 3ky9 h VAL 333 CO -0.00 0.12 0.00 0.18 -1.01 0.00 0.00 177.57 176.86 3ky9 n LEU 334 N -4.45 0.00 0.05 3.16 4.77 -1.05 -3.62 117.00 115.86 3ky9 n LEU 334 Ca 0.03 0.44 0.08 0.00 -0.03 0.00 0.00 56.01 56.53 3ky9 n LEU 334 Cb 0.08 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 3ky9 n LEU 334 CO 0.36 -0.20 -0.30 0.29 -1.33 0.00 0.00 177.39 176.21 3ky9 n LYS 335 N -1.44 0.63 0.08 3.23 4.76 -0.34 -4.49 118.16 120.59 3ky9 n LYS 335 Ca 0.05 0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 3ky9 n LYS 335 Cb 0.17 -1.73 -0.05 0.00 -1.84 0.00 0.00 35.03 31.57 3ky9 n LYS 335 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 3ky9 h TYR 336 N 0.00 -0.46 -0.82 2.13 0.05 -1.65 -0.70 116.97 115.52 3ky9 h TYR 336 Ca -0.07 0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.83 3ky9 h TYR 336 Cb 1.20 0.20 -0.06 0.00 1.01 0.00 0.00 36.73 39.08 3ky9 h TYR 336 CO 0.00 -0.26 0.53 1.12 -1.05 0.00 0.00 178.16 178.51 3ky9 h HIS 337 N -0.32 0.81 -0.73 4.88 2.07 -1.79 -1.40 115.15 118.67 3ky9 h HIS 337 Ca 0.04 0.02 -0.05 0.00 -2.85 0.00 0.00 60.37 57.53 3ky9 h HIS 337 Cb 0.36 -0.26 -0.03 0.00 2.57 0.00 0.00 27.41 30.05 3ky9 h HIS 337 CO -0.20 0.37 0.26 -0.07 -3.07 0.00 0.00 177.93 175.23 3ky9 h LEU 338 N 0.75 1.03 -0.43 6.12 3.38 -1.50 0.14 115.31 124.80 3ky9 h LEU 338 Ca 0.38 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3ky9 h LEU 338 Cb 0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ky9 h LEU 338 CO -0.15 0.94 0.00 -0.07 0.09 0.00 0.00 178.44 179.25 3ky9 h LEU 339 N 1.06 0.74 -0.73 1.67 3.38 -0.42 -2.86 115.31 118.16 3ky9 h LEU 339 Ca 0.24 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3ky9 h LEU 339 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ky9 h LEU 339 CO -0.01 0.87 -0.41 -0.07 0.09 0.00 0.00 178.44 178.90 3ky9 h LEU 340 N 0.60 0.52 -1.00 1.67 3.38 -1.18 -1.04 115.31 118.26 3ky9 h LEU 340 Ca 0.12 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3ky9 h LEU 340 Cb 0.48 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3ky9 h LEU 340 CO 0.02 0.87 0.65 -0.61 0.09 0.00 0.00 178.44 179.46 3ky9 h GLN 341 N 0.41 1.17 0.04 1.13 4.15 -0.61 -0.51 115.11 120.89 3ky9 h GLN 341 Ca 0.03 -0.07 -0.24 0.00 0.77 0.00 0.00 58.65 59.14 3ky9 h GLN 341 Cb 0.89 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 3ky9 h GLN 341 CO 0.08 0.78 -1.19 1.49 -1.93 0.00 0.00 178.83 178.06 3ky9 h GLU 342 N 1.21 0.09 0.00 1.69 4.57 -1.28 -2.95 114.58 117.90 3ky9 h GLU 342 Ca 0.42 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 3ky9 h GLU 342 Cb 0.11 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3ky9 h GLU 342 CO -0.16 1.01 -0.15 1.25 -1.18 0.00 0.00 179.01 179.78 3ky9 h LEU 343 N 0.02 0.00 -0.18 1.64 5.85 -0.73 -2.86 115.31 119.05 3ky9 h LEU 343 Ca -0.09 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.43 3ky9 h LEU 343 Cb 1.87 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 3ky9 h LEU 343 CO 0.14 0.15 -0.93 0.58 -0.34 0.00 0.00 178.44 178.04 3ky9 h VAL 344 N 0.00 1.59 0.00 1.05 2.07 -1.05 -2.83 116.25 117.08 3ky9 h VAL 344 Ca -0.00 -2.95 -0.01 0.00 0.82 0.00 0.00 66.70 64.56 3ky9 h VAL 344 Cb 0.29 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3ky9 h VAL 344 CO 0.02 0.85 -0.06 0.11 0.02 0.00 0.00 177.57 178.51 3ky9 h LYS 345 N 0.04 0.00 -0.11 1.57 1.57 -1.33 -3.10 116.57 115.22 3ky9 h LYS 345 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ky9 h LYS 345 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.92 3ky9 h LYS 345 CO 0.13 0.06 0.00 0.72 -0.57 0.00 0.00 179.45 179.79 3ky9 n HIS 346 N -3.38 0.14 -3.40 -1.35 8.25 -1.17 -4.85 115.22 109.46 3ky9 n HIS 346 Ca -0.02 -0.33 -0.44 0.00 -0.26 0.00 0.00 57.72 56.68 3ky9 n HIS 346 Cb 0.21 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.22 3ky9 n HIS 346 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3ky9 s THR 347 N -0.80 5.17 0.04 1.59 2.01 -1.08 -4.59 115.64 117.98 3ky9 s THR 347 Ca 0.09 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 61.05 3ky9 s THR 347 Cb 0.05 -4.08 -0.25 0.00 0.01 0.00 0.00 72.50 68.23 3ky9 s THR 347 CO 0.07 -0.56 0.98 0.06 -0.69 0.00 0.00 174.62 174.47 3ky9 h GLN 348 N 8.73 0.13 -6.62 4.92 3.07 -1.89 -3.41 115.11 120.04 3ky9 h GLN 348 Ca -0.28 -0.22 -0.58 0.00 0.09 0.00 0.00 58.65 57.66 3ky9 h GLN 348 Cb 1.11 0.08 0.10 0.00 0.08 0.00 0.00 27.48 28.85 3ky9 h GLN 348 CO 0.86 0.97 0.50 -1.91 0.09 0.00 0.00 178.83 179.35 3ky9 n GLU 349 N -3.35 1.94 -0.03 0.06 2.13 -1.26 -4.89 120.64 115.25 3ky9 n GLU 349 Ca -0.11 0.69 -0.12 0.00 0.66 0.00 0.00 57.16 58.28 3ky9 n GLU 349 Cb 1.01 -2.28 -0.07 0.00 0.27 0.00 0.00 31.44 30.38 3ky9 n GLU 349 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ky9 h ALA 350 N 3.33 0.14 -0.23 4.31 0.00 -2.01 -2.33 119.26 122.47 3ky9 h ALA 350 Ca -0.45 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 3ky9 h ALA 350 Cb 1.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3ky9 h ALA 350 CO 0.69 -0.23 -0.39 1.98 0.00 0.00 0.00 179.25 181.30 3ky9 h MET 351 N -0.05 0.54 0.00 0.00 1.85 -1.99 -3.13 114.93 112.15 3ky9 h MET 351 Ca 0.03 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 58.85 3ky9 h MET 351 Cb 0.26 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.30 3ky9 h MET 351 CO 0.00 0.85 0.00 0.39 -0.40 0.00 0.00 176.91 177.75 3ky9 n GLU 352 N -4.03 0.00 -0.36 0.39 -0.58 -1.17 -3.41 120.64 111.47 3ky9 n GLU 352 Ca -0.02 0.65 -0.06 0.00 -0.42 0.00 0.00 57.16 57.31 3ky9 n GLU 352 Cb 0.51 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.88 3ky9 n GLU 352 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ky9 n LYS 353 N -2.23 -0.32 0.18 3.49 5.02 -0.88 -0.51 118.16 122.89 3ky9 n LYS 353 Ca 0.00 1.36 0.13 0.00 -2.02 0.00 0.00 58.31 57.78 3ky9 n LYS 353 Cb 0.00 -2.01 0.63 0.00 -0.02 0.00 0.00 35.03 33.63 3ky9 n LYS 353 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3ky9 h GLU 354 N 0.00 0.00 0.00 1.97 4.81 -1.61 -0.44 114.58 119.31 3ky9 h GLU 354 Ca 0.21 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 3ky9 h GLU 354 Cb 0.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3ky9 h GLU 354 CO -0.86 0.00 -0.66 -0.91 -0.73 0.00 0.00 179.01 175.85 3ky9 h ASN 355 N 0.00 0.00 -0.28 1.04 2.35 -0.82 -3.22 115.58 114.65 3ky9 h ASN 355 Ca 0.00 -0.69 0.06 0.00 -0.55 0.00 0.00 56.30 55.12 3ky9 h ASN 355 Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3ky9 h ASN 355 CO 0.00 1.23 0.19 -0.07 -1.65 0.00 0.00 177.43 177.14 3ky9 h LEU 356 N -1.00 0.09 -1.12 1.61 3.38 -1.05 0.93 115.31 118.15 3ky9 h LEU 356 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ky9 h LEU 356 Cb 1.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ky9 h LEU 356 CO -0.11 0.06 0.00 0.03 0.09 0.00 0.00 178.44 178.51 3ky9 h ARG 357 N 0.11 0.00 -0.04 1.13 3.08 -1.22 0.19 114.38 117.63 3ky9 h ARG 357 Ca 0.13 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3ky9 h ARG 357 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3ky9 h ARG 357 CO -0.01 0.00 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.75 3ky9 h LEU 358 N 0.00 0.12 -0.61 3.04 3.38 -0.83 -1.06 115.31 119.35 3ky9 h LEU 358 Ca 0.00 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.31 3ky9 h LEU 358 Cb 0.58 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3ky9 h LEU 358 CO 0.00 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.19 3ky9 h ALA 359 N 0.47 0.82 -0.93 1.53 0.00 -1.21 -1.63 119.26 118.30 3ky9 h ALA 359 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.66 3ky9 h ALA 359 Cb 0.64 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3ky9 h ALA 359 CO 0.02 0.66 0.61 1.25 0.00 0.00 0.00 179.25 181.79 3ky9 h LEU 360 N 0.98 0.95 -1.42 0.00 5.85 -0.70 0.86 115.31 121.83 3ky9 h LEU 360 Ca 0.17 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3ky9 h LEU 360 Cb 0.56 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3ky9 h LEU 360 CO 0.03 0.61 0.07 0.44 -0.34 0.00 0.00 178.44 179.25 3ky9 h ASP 361 N 1.08 0.41 0.60 1.25 3.32 -0.49 -1.26 116.42 121.33 3ky9 h ASP 361 Ca 0.40 -0.05 -0.27 0.00 0.02 0.00 0.00 57.03 57.13 3ky9 h ASP 361 Cb 0.18 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3ky9 h ASP 361 CO -0.15 0.43 -1.19 0.00 -1.72 0.00 0.00 179.24 176.61 3ky9 h ALA 362 N 1.63 0.14 0.00 3.45 0.00 -0.16 -2.56 119.26 121.77 3ky9 h ALA 362 Ca 0.11 -0.86 -0.10 0.00 0.00 0.00 0.00 54.91 54.06 3ky9 h ALA 362 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ky9 h ALA 362 CO -0.00 0.95 -0.79 0.52 0.00 0.00 0.00 179.25 179.93 3ky9 h MET 363 N 0.09 0.00 -0.24 0.00 2.86 -0.80 -1.96 114.93 114.88 3ky9 h MET 363 Ca -0.12 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.33 3ky9 h MET 363 Cb 1.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.57 3ky9 h MET 363 CO 0.20 0.33 -0.58 -0.09 1.06 0.00 0.00 176.91 177.83 3ky9 h ARG 364 N 0.00 0.81 -0.50 1.72 2.43 -1.29 -1.80 114.38 115.76 3ky9 h ARG 364 Ca -0.05 -0.56 -0.01 0.00 -0.81 0.00 0.00 59.98 58.55 3ky9 h ARG 364 Cb 1.37 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 3ky9 h ARG 364 CO 0.05 1.18 0.26 0.22 -1.51 0.00 0.00 179.97 180.17 3ky9 h ASP 365 N 0.57 0.64 0.07 -3.80 3.58 -1.45 0.20 116.42 116.23 3ky9 h ASP 365 Ca -0.00 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.35 3ky9 h ASP 365 Cb 1.20 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 42.03 3ky9 h ASP 365 CO 0.13 0.56 -0.50 0.25 -2.88 0.00 0.00 179.24 176.80 3ky9 h LEU 366 N 0.66 -1.51 -0.93 2.28 5.85 -1.32 0.81 115.31 121.14 3ky9 h LEU 366 Ca 0.17 0.17 0.11 0.00 0.84 0.00 0.00 57.88 59.17 3ky9 h LEU 366 Cb 0.08 0.57 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 3ky9 h LEU 366 CO -0.03 -0.53 0.56 0.00 -0.34 0.00 0.00 178.44 178.11 3ky9 h ALA 367 N -0.38 1.37 -0.96 1.25 0.00 -1.09 -0.86 119.26 118.59 3ky9 h ALA 367 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ky9 h ALA 367 Cb 0.73 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3ky9 h ALA 367 CO -0.30 0.17 0.61 1.96 0.00 0.00 0.00 179.25 181.69 3ky9 h GLN 368 N 0.91 1.29 0.15 0.00 4.20 0.29 -0.21 115.11 121.73 3ky9 h GLN 368 Ca 0.46 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.06 3ky9 h GLN 368 Cb 0.44 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3ky9 h GLN 368 CO -0.26 0.87 -0.07 0.00 -0.67 0.00 0.00 178.83 178.70 3ky9 h VAL 370 N -0.25 0.92 -0.63 0.00 2.07 -1.16 0.43 116.25 117.62 3ky9 h VAL 370 Ca -0.02 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3ky9 h VAL 370 Cb 0.19 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3ky9 h VAL 370 CO 0.03 0.12 0.42 0.78 0.02 0.00 0.00 177.57 178.94 3ky9 h ASN 371 N 0.67 0.65 -0.59 0.57 2.35 -0.76 0.52 115.58 118.99 3ky9 h ASN 371 Ca 0.33 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 3ky9 h ASN 371 Cb 0.27 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3ky9 h ASN 371 CO -0.22 0.45 0.28 -0.33 -1.65 0.00 0.00 177.43 175.96 3ky9 h GLU 372 N 0.76 0.86 -0.83 0.81 4.39 0.57 -0.61 114.58 120.53 3ky9 h GLU 372 Ca 0.25 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 3ky9 h GLU 372 Cb 0.07 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 3ky9 h GLU 372 CO -0.07 0.71 0.50 0.28 -1.16 0.00 0.00 179.01 179.27 3ky9 h VAL 373 N 0.81 1.23 -0.32 3.13 2.07 -0.33 -1.75 116.25 121.08 3ky9 h VAL 373 Ca 0.20 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3ky9 h VAL 373 Cb 0.14 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3ky9 h VAL 373 CO -0.02 0.24 0.12 0.11 0.02 0.00 0.00 177.57 178.04 3ky9 h LYS 374 N 1.14 0.48 -0.21 1.57 1.57 -0.14 -0.62 116.57 120.36 3ky9 h LYS 374 Ca 0.30 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3ky9 h LYS 374 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3ky9 h LYS 374 CO -0.06 0.49 0.12 0.00 -0.57 0.00 0.00 179.45 179.43 3ky9 h ARG 375 N 0.37 0.24 -0.59 3.15 3.08 -0.89 -1.79 114.38 117.95 3ky9 h ARG 375 Ca 0.11 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3ky9 h ARG 375 Cb 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3ky9 h ARG 375 CO -0.01 0.16 0.11 -0.44 -1.07 0.00 0.00 179.97 178.72 3ky9 h ASP 376 N 0.25 0.90 -0.40 7.04 3.32 -1.26 0.18 116.42 126.45 3ky9 h ASP 376 Ca 0.08 -0.19 0.08 0.00 0.02 0.00 0.00 57.03 57.02 3ky9 h ASP 376 Cb 0.00 -0.24 -0.09 0.00 0.22 0.00 0.00 39.33 39.22 3ky9 h ASP 376 CO -0.04 0.90 -0.33 0.78 -1.72 0.00 0.00 179.24 178.83 3ky9 h ASN 377 N 0.90 -1.09 -0.01 6.45 -0.26 -0.84 -0.69 115.58 120.04 3ky9 h ASN 377 Ca 0.19 0.19 -0.00 0.00 -0.56 0.00 0.00 56.30 56.12 3ky9 h ASN 377 Cb 0.38 0.51 -0.00 0.00 -1.06 0.00 0.00 38.32 38.15 3ky9 h ASN 377 CO 0.01 -0.32 0.01 -0.08 -1.06 0.00 0.00 177.43 175.98 3ky9 h GLU 378 N -0.25 0.02 -0.77 0.81 4.57 -0.37 -2.46 114.58 116.13 3ky9 h GLU 378 Ca 0.17 -0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.53 3ky9 h GLU 378 Cb 0.54 -0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.01 3ky9 h GLU 378 CO -0.54 0.13 0.18 1.15 -1.18 0.00 0.00 179.01 178.75 3ky9 h THR 379 N -0.10 0.46 0.00 0.32 2.02 -0.51 0.17 112.91 115.28 3ky9 h THR 379 Ca 0.00 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 3ky9 h THR 379 Cb 0.12 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3ky9 h THR 379 CO -0.00 0.05 -0.20 -0.07 0.37 0.00 0.00 175.52 175.67 3ky9 h LEU 380 N 0.25 0.00 -0.16 2.58 3.38 -0.76 -0.65 115.31 119.95 3ky9 h LEU 380 Ca 0.45 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.35 3ky9 h LEU 380 Cb 0.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3ky9 h LEU 380 CO -0.55 0.20 -0.17 0.03 0.09 0.00 0.00 178.44 178.04 3ky9 h ARG 381 N 0.00 0.39 -0.99 1.13 3.08 -0.25 -1.86 114.38 115.89 3ky9 h ARG 381 Ca -0.00 -0.21 0.06 0.00 0.07 0.00 0.00 59.98 59.89 3ky9 h ARG 381 Cb 0.40 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 3ky9 h ARG 381 CO 0.03 0.77 0.64 1.96 -1.07 0.00 0.00 179.97 182.30 3ky9 h GLN 382 N 0.03 1.15 -0.42 0.04 4.20 -0.81 0.73 115.11 120.04 3ky9 h GLN 382 Ca 0.02 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3ky9 h GLN 382 Cb 0.71 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3ky9 h GLN 382 CO 0.04 0.76 -0.15 0.82 -0.67 0.00 0.00 178.83 179.64 3ky9 h ILE 383 N 1.19 1.28 -0.33 2.54 2.04 -1.07 -0.29 117.51 122.86 3ky9 h ILE 383 Ca 0.42 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 3ky9 h ILE 383 Cb 0.12 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3ky9 h ILE 383 CO -0.16 0.43 0.08 0.74 0.00 0.00 0.00 178.15 179.24 3ky9 h THR 384 N 0.66 1.16 -0.16 -0.27 2.02 -0.88 -0.42 112.91 115.02 3ky9 h THR 384 Ca 0.10 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3ky9 h THR 384 Cb 0.69 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3ky9 h THR 384 CO 0.05 0.20 0.03 -1.13 0.37 0.00 0.00 175.52 175.03 3ky9 h ASN 385 N 0.48 0.25 -0.74 4.18 -0.73 0.09 -1.75 115.58 117.35 3ky9 h ASN 385 Ca 0.11 -0.26 -0.06 0.00 1.87 0.00 0.00 56.30 57.97 3ky9 h ASN 385 Cb 0.18 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 3ky9 h ASN 385 CO -0.00 0.44 0.24 -0.26 -0.37 0.00 0.00 177.43 177.48 3ky9 h PHE 386 N 0.04 1.18 -0.53 0.67 0.04 -0.72 -2.91 116.94 114.72 3ky9 h PHE 386 Ca 0.05 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 3ky9 h PHE 386 Cb 0.30 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3ky9 h PHE 386 CO 0.02 0.92 0.10 0.37 -0.60 0.00 0.00 178.31 179.12 3ky9 h GLN 387 N 1.10 0.83 0.00 1.51 4.15 -0.79 -1.39 115.11 120.51 3ky9 h GLN 387 Ca 0.24 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3ky9 h GLN 387 Cb 0.29 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3ky9 h GLN 387 CO -0.01 0.76 0.00 1.28 -1.93 0.00 0.00 178.83 178.93 3ky9 n LEU 388 N -4.26 0.72 -0.56 -2.39 4.77 -0.69 -2.98 117.00 111.62 3ky9 n LEU 388 Ca 0.04 0.62 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 3ky9 n LEU 388 Cb 0.24 -0.46 0.08 0.00 -2.33 0.00 0.00 43.42 40.95 3ky9 n LEU 388 CO 0.40 -0.38 0.49 -1.20 -1.33 0.00 0.00 177.39 175.38 3ky9 n SER 389 N -2.24 2.26 -4.26 -1.43 7.64 -0.75 -4.91 113.62 109.93 3ky9 n SER 389 Ca 0.04 -1.62 -0.37 0.00 1.01 0.00 0.00 58.87 57.92 3ky9 n SER 389 Cb 0.32 -0.05 -0.13 0.00 -1.01 0.00 0.00 64.21 63.35 3ky9 n SER 389 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ky9 s ILE 390 N -1.06 3.65 0.25 0.44 1.01 -0.60 -1.16 121.20 123.73 3ky9 s ILE 390 Ca 0.17 -1.11 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 3ky9 s ILE 390 Cb 0.11 -3.04 -0.07 0.00 0.01 0.00 0.00 42.46 39.47 3ky9 s ILE 390 CO 0.17 -0.12 0.57 -1.61 0.00 0.00 0.00 174.94 173.95 3ky9 s GLU 391 N 1.39 3.80 -1.01 2.79 2.02 -0.08 -4.09 118.70 123.53 3ky9 s GLU 391 Ca -0.02 0.29 -0.03 0.00 0.02 0.00 0.00 54.97 55.23 3ky9 s GLU 391 Cb -0.19 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.42 3ky9 s GLU 391 CO 0.02 0.28 0.44 -1.71 0.02 0.00 0.00 175.26 174.31 3ky9 n ASN 392 N -0.26 -4.59 -4.11 -0.19 5.15 -1.26 -1.97 115.26 108.03 3ky9 n ASN 392 Ca 0.01 -0.21 -0.33 0.00 -0.60 0.00 0.00 54.58 53.45 3ky9 n ASN 392 Cb 0.53 -3.43 -0.15 0.00 -0.53 0.00 0.00 39.78 36.19 3ky9 n ASN 392 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3ky9 s LEU 393 N -4.60 2.96 0.00 1.20 0.20 -1.26 -4.64 118.68 112.54 3ky9 s LEU 393 Ca 0.22 -1.07 0.21 0.00 0.69 0.00 0.00 54.13 54.18 3ky9 s LEU 393 Cb -0.10 -1.54 0.18 0.00 -0.43 0.00 0.00 46.19 44.30 3ky9 s LEU 393 CO 0.27 -0.12 1.17 -0.90 -0.29 0.00 0.00 176.35 176.49 3ky9 n ASP 394 N 4.53 2.78 -4.43 3.68 5.75 -1.26 -4.93 116.55 122.67 3ky9 n ASP 394 Ca -0.17 -1.88 -0.26 0.00 -0.01 0.00 0.00 54.79 52.48 3ky9 n ASP 394 Cb 0.45 -0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 3ky9 n ASP 394 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3ky9 s GLN 395 N -1.72 1.53 -0.01 0.11 0.74 -1.26 -5.11 119.66 113.94 3ky9 s GLN 395 Ca 0.25 -1.56 -0.30 0.00 0.05 0.00 0.00 55.36 53.80 3ky9 s GLN 395 Cb 0.18 -1.80 -0.04 0.00 1.10 0.00 0.00 33.01 32.44 3ky9 s GLN 395 CO 0.26 0.38 1.24 0.45 -0.55 0.00 0.00 175.29 177.07 3ky9 s SER 396 N -2.82 7.02 0.52 6.67 0.15 -1.26 -4.93 113.70 119.05 3ky9 s SER 396 Ca 0.22 1.93 0.17 0.00 0.70 0.00 0.00 55.95 58.97 3ky9 s SER 396 Cb -0.07 -2.56 1.29 0.00 -1.71 0.00 0.00 66.02 62.96 3ky9 s SER 396 CO 0.10 -0.58 2.13 -0.07 1.20 0.00 0.00 173.24 176.03 3ky9 h LEU 397 N 7.85 0.00 -1.09 3.45 3.38 -1.98 -2.69 115.31 124.23 3ky9 h LEU 397 Ca -0.37 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.72 3ky9 h LEU 397 Cb 1.18 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 3ky9 h LEU 397 CO 0.87 0.03 0.61 0.00 0.09 0.00 0.00 178.44 180.04 3ky9 h ALA 398 N 1.97 1.59 0.00 1.53 0.00 -1.91 0.11 119.26 122.54 3ky9 h ALA 398 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ky9 h ALA 398 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3ky9 h ALA 398 CO 0.00 0.18 0.18 0.45 0.00 0.00 0.00 179.25 180.06 3ky9 h HIS 399 N 0.93 0.00 -0.57 0.00 3.86 -1.89 -2.49 115.15 115.00 3ky9 h HIS 399 Ca 0.47 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.53 3ky9 h HIS 399 Cb 0.50 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.89 3ky9 h HIS 399 CO -0.00 0.00 0.15 0.66 0.86 0.00 0.00 177.93 179.59 3ky9 n TYR 400 N -2.55 1.90 -3.83 2.45 4.02 0.38 -4.99 117.16 114.52 3ky9 n TYR 400 Ca -0.02 -1.16 0.00 0.00 -0.01 0.00 0.00 57.90 56.71 3ky9 n TYR 400 Cb 0.22 -0.57 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 3ky9 n TYR 400 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ky9 n GLY 401 N -0.33 -1.52 3.77 2.72 0.00 -0.94 -1.86 105.19 107.03 3ky9 n GLY 401 Ca 0.35 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 3ky9 n GLY 401 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ky9 s ARG 402 N 0.00 2.97 0.23 1.61 1.70 -1.26 -4.69 118.95 119.51 3ky9 s ARG 402 Ca 0.00 -0.56 -0.31 0.00 -0.47 0.00 0.00 55.73 54.39 3ky9 s ARG 402 Cb 0.00 -2.80 -0.14 0.00 -0.57 0.00 0.00 34.95 31.44 3ky9 s ARG 402 CO 0.00 0.62 1.19 -2.30 -1.08 0.00 0.00 175.30 173.73 3ky9 n PRO 403 N 1.02 1.48 -0.08 3.89 -0.02 -1.26 -2.62 135.00 137.41 3ky9 n PRO 403 Ca -0.12 0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 61.74 3ky9 n PRO 403 Cb 0.52 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 3ky9 n PRO 403 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ky9 n LYS 404 N 1.50 0.33 -3.60 -0.52 4.76 -0.13 -4.91 118.16 115.58 3ky9 n LYS 404 Ca 0.12 0.13 -0.10 0.00 -2.87 0.00 0.00 58.31 55.59 3ky9 n LYS 404 Cb 0.29 -1.11 -0.06 0.00 -1.84 0.00 0.00 35.03 32.31 3ky9 n LYS 404 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3ky9 s ILE 405 N -2.28 0.00 0.01 -0.18 2.07 -1.22 -4.91 121.20 114.69 3ky9 s ILE 405 Ca -0.21 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.04 3ky9 s ILE 405 Cb 0.07 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.65 3ky9 s ILE 405 CO 0.29 0.00 -0.03 1.51 -1.91 0.00 0.00 174.94 174.80 3ky9 s ASP 406 N -0.46 0.30 0.00 4.50 -4.77 -0.86 -1.41 116.67 113.98 3ky9 s ASP 406 Ca 0.00 -0.26 0.00 0.00 -3.30 0.00 0.00 52.55 48.99 3ky9 s ASP 406 Cb -0.03 0.03 0.00 0.00 -1.09 0.00 0.00 42.92 41.83 3ky9 s ASP 406 CO -0.02 -0.12 0.00 0.61 0.70 0.00 0.00 175.17 176.35 3ky9 n GLY 407 N 2.34 -1.24 3.72 2.12 0.00 -0.61 -2.01 105.19 109.51 3ky9 n GLY 407 Ca -0.18 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 3ky9 n GLY 407 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ky9 s GLU 408 N -0.34 4.26 0.10 1.61 2.02 -1.26 -1.04 118.70 124.05 3ky9 s GLU 408 Ca 0.00 0.12 0.02 0.00 0.02 0.00 0.00 54.97 55.13 3ky9 s GLU 408 Cb 0.00 -3.44 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 3ky9 s GLU 408 CO 0.00 0.20 0.08 1.47 0.02 0.00 0.00 175.26 177.03 3ky9 n LEU 409 N 3.68 0.00 -3.97 1.80 -0.00 -0.73 -4.85 117.00 112.93 3ky9 n LEU 409 Ca -0.11 -0.92 -0.25 0.00 -0.00 0.00 0.00 56.01 54.73 3ky9 n LEU 409 Cb 0.52 0.48 -0.17 0.00 -0.00 0.00 0.00 43.42 44.25 3ky9 n LEU 409 CO 0.40 -0.15 -0.45 -0.54 -0.00 0.00 0.00 177.39 176.65 3ky9 s LYS 410 N -2.39 1.55 0.17 1.47 1.02 -1.00 -1.63 119.74 118.92 3ky9 s LYS 410 Ca 0.11 -0.32 0.08 0.00 0.02 0.00 0.00 55.97 55.87 3ky9 s LYS 410 Cb 0.01 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.86 3ky9 s LYS 410 CO 0.08 -0.09 -0.08 0.42 -0.92 0.00 0.00 175.35 174.76 3ky9 s ILE 411 N 1.07 3.29 0.03 2.17 1.01 -0.12 -0.55 121.20 128.11 3ky9 s ILE 411 Ca -0.07 -1.57 0.03 0.00 0.00 0.00 0.00 60.65 59.04 3ky9 s ILE 411 Cb -0.14 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 3ky9 s ILE 411 CO -0.01 -0.08 -0.10 0.42 0.00 0.00 0.00 174.94 175.17 3ky9 s THR 412 N -1.64 0.79 0.00 2.92 -4.23 -1.09 -1.19 115.64 111.20 3ky9 s THR 412 Ca 0.25 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 3ky9 s THR 412 Cb -0.09 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 72.99 3ky9 s THR 412 CO 0.15 -0.12 0.00 -1.54 -0.54 0.00 0.00 174.62 172.58 3ky9 n SER 413 N 1.91 0.00 -1.86 3.99 3.41 -1.26 -1.28 113.62 118.52 3ky9 n SER 413 Ca -0.19 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.43 3ky9 n SER 413 Cb 0.55 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.85 3ky9 n SER 413 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ky9 n VAL 414 N 0.00 2.82 -0.38 -3.33 0.24 -1.26 -4.15 118.33 112.27 3ky9 n VAL 414 Ca 0.00 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 3ky9 n VAL 414 Cb 0.00 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 3ky9 n VAL 414 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3ky9 n GLU 415 N 0.15 0.35 -4.24 7.34 0.28 -1.26 -5.08 120.64 118.18 3ky9 n GLU 415 Ca 0.34 -0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 57.18 3ky9 n GLU 415 Cb 1.27 -0.26 -0.10 0.00 1.43 0.00 0.00 31.44 33.78 3ky9 n GLU 415 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3ky9 s ARG 416 N -0.06 1.12 0.00 3.44 1.81 -1.26 -5.06 118.95 118.94 3ky9 s ARG 416 Ca 0.00 -1.55 0.00 0.00 -1.72 0.00 0.00 55.73 52.46 3ky9 s ARG 416 Cb 0.00 -0.17 0.00 0.00 -0.45 0.00 0.00 34.95 34.33 3ky9 s ARG 416 CO 0.00 -0.18 0.00 0.54 -0.68 0.00 0.00 175.30 174.98 3ky9 n ARG 417 N -0.25 0.00 -2.13 3.54 5.12 -1.26 -3.99 116.66 117.69 3ky9 n ARG 417 Ca -0.05 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.44 3ky9 n ARG 417 Cb 0.64 -0.44 -0.03 0.00 -1.16 0.00 0.00 32.46 31.47 3ky9 n ARG 417 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3ky9 s SER 418 N -2.17 6.49 -0.45 0.55 1.04 -1.26 -4.87 113.70 113.03 3ky9 s SER 418 Ca 0.00 1.72 -0.40 0.00 0.48 0.00 0.00 55.95 57.75 3ky9 s SER 418 Cb 0.00 -2.53 -0.17 0.00 0.10 0.00 0.00 66.02 63.41 3ky9 s SER 418 CO 0.00 -1.15 1.76 0.29 0.98 0.00 0.00 173.24 175.12 3ky9 n LYS 419 N 7.47 0.00 -3.14 4.02 5.02 -1.26 -4.88 118.16 125.38 3ky9 n LYS 419 Ca 0.18 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.07 3ky9 n LYS 419 Cb 0.45 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 3ky9 n LYS 419 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3ky9 s MET 420 N 4.53 4.10 0.05 1.97 -1.94 -0.33 -4.94 119.30 122.74 3ky9 s MET 420 Ca 1.03 0.50 -0.31 0.00 -1.71 0.00 0.00 55.69 55.20 3ky9 s MET 420 Cb -1.34 -3.65 -0.06 0.00 2.01 0.00 0.00 34.83 31.80 3ky9 s MET 420 CO 0.63 -0.40 1.22 -0.51 -0.01 0.00 0.00 175.02 175.96 3ky9 s ASP 421 N 1.49 7.05 0.10 3.03 -0.00 -1.26 -0.94 116.67 126.14 3ky9 s ASP 421 Ca 0.25 2.02 -0.05 0.00 -0.00 0.00 0.00 52.55 54.78 3ky9 s ASP 421 Cb -0.16 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.16 3ky9 s ASP 421 CO 0.09 -0.50 0.12 -0.13 -0.00 0.00 0.00 175.17 174.74 3ky9 s ARG 422 N 1.22 0.87 -0.11 8.23 1.81 -0.65 -4.93 118.95 125.39 3ky9 s ARG 422 Ca 0.59 -1.20 -0.03 0.00 -1.72 0.00 0.00 55.73 53.37 3ky9 s ARG 422 Cb -0.30 0.29 -0.03 0.00 -0.45 0.00 0.00 34.95 34.46 3ky9 s ARG 422 CO 0.29 -0.26 0.02 -0.47 -0.68 0.00 0.00 175.30 174.20 3ky9 s TYR 423 N -3.95 3.22 -0.03 -0.53 5.04 0.11 -1.78 117.35 119.43 3ky9 s TYR 423 Ca 0.13 0.19 0.04 0.00 -2.44 0.00 0.00 57.07 54.99 3ky9 s TYR 423 Cb 0.06 -1.85 -0.00 0.00 0.35 0.00 0.00 41.96 40.51 3ky9 s TYR 423 CO -0.05 0.43 -0.15 0.00 -1.34 0.00 0.00 175.55 174.45 3ky9 s ALA 424 N -0.67 1.29 -0.25 3.97 0.00 -0.20 0.09 121.76 125.98 3ky9 s ALA 424 Ca 0.11 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 3ky9 s ALA 424 Cb -0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3ky9 s ALA 424 CO 0.02 0.25 0.03 -0.06 0.00 0.00 0.00 175.76 176.00 3ky9 s PHE 425 N -0.05 3.05 -0.17 0.00 0.08 -0.60 -1.57 117.98 118.73 3ky9 s PHE 425 Ca -0.01 -0.78 -0.13 0.00 0.12 0.00 0.00 56.93 56.13 3ky9 s PHE 425 Cb -0.09 -2.19 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 3ky9 s PHE 425 CO 0.01 -0.49 0.27 -1.17 -0.10 0.00 0.00 175.22 173.74 3ky9 s LEU 426 N 1.53 4.23 0.26 -0.37 2.96 -0.50 -0.36 118.68 126.44 3ky9 s LEU 426 Ca 0.05 0.46 0.07 0.00 -0.22 0.00 0.00 54.13 54.49 3ky9 s LEU 426 Cb -0.15 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 3ky9 s LEU 426 CO 0.00 0.10 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.30 3ky9 s LEU 427 N 0.49 2.48 0.36 -0.68 1.02 0.29 -0.96 118.68 121.67 3ky9 s LEU 427 Ca 0.15 -1.15 0.19 0.00 0.02 0.00 0.00 54.13 53.34 3ky9 s LEU 427 Cb -0.13 -0.62 1.27 0.00 0.02 0.00 0.00 46.19 46.73 3ky9 s LEU 427 CO 0.03 -0.31 1.60 0.44 0.02 0.00 0.00 176.35 178.13 3ky9 h ASP 428 N 2.36 0.36 -0.08 2.29 3.32 -1.45 -2.06 116.42 121.16 3ky9 h ASP 428 Ca -0.39 0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3ky9 h ASP 428 Cb 1.23 0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.02 3ky9 h ASP 428 CO 0.66 -0.36 0.00 0.29 -1.72 0.00 0.00 179.24 178.11 3ky9 n LYS 429 N -5.21 0.94 -3.62 3.56 5.02 -0.78 -4.44 118.16 113.64 3ky9 n LYS 429 Ca 0.36 -1.21 -0.12 0.00 -2.02 0.00 0.00 58.31 55.32 3ky9 n LYS 429 Cb 1.20 -1.14 -0.07 0.00 -0.02 0.00 0.00 35.03 35.01 3ky9 n LYS 429 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ky9 s ALA 430 N -0.70 -1.87 -0.26 7.82 0.00 -0.78 -2.47 121.76 123.51 3ky9 s ALA 430 Ca 0.10 1.84 -0.07 0.00 0.00 0.00 0.00 51.96 53.82 3ky9 s ALA 430 Cb 0.06 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 3ky9 s ALA 430 CO 0.09 -0.30 0.08 -1.17 0.00 0.00 0.00 175.76 174.46 3ky9 s LEU 431 N -0.02 3.51 -0.50 0.00 2.96 -0.39 -0.55 118.68 123.68 3ky9 s LEU 431 Ca -0.00 -0.25 -0.18 0.00 -0.22 0.00 0.00 54.13 53.48 3ky9 s LEU 431 Cb -0.04 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.79 3ky9 s LEU 431 CO -0.01 -0.05 0.57 -0.76 -1.32 0.00 0.00 176.35 174.78 3ky9 s LEU 432 N 1.61 5.15 -0.01 -0.68 1.43 0.52 -0.70 118.68 126.00 3ky9 s LEU 432 Ca 0.06 -1.03 -0.25 0.00 -1.03 0.00 0.00 54.13 51.88 3ky9 s LEU 432 Cb -0.15 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 3ky9 s LEU 432 CO 0.04 -0.83 0.78 -0.63 0.23 0.00 0.00 176.35 175.94 3ky9 s ILE 433 N 2.38 4.89 0.09 -0.59 -1.09 -0.91 -1.55 121.20 124.42 3ky9 s ILE 433 Ca 0.12 1.64 -0.06 0.00 -2.23 0.00 0.00 60.65 60.12 3ky9 s ILE 433 Cb -0.21 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.53 3ky9 s ILE 433 CO 0.10 0.28 0.14 0.00 -1.23 0.00 0.00 174.94 174.23 3ky9 s LYS 435 N -3.91 2.88 0.02 0.00 2.20 -0.37 0.06 119.74 120.62 3ky9 s LYS 435 Ca 0.09 -0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 54.45 3ky9 s LYS 435 Cb 0.06 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 3ky9 s LYS 435 CO -0.08 -0.38 1.15 0.50 -0.36 0.00 0.00 175.35 176.18 3ky9 s ARG 436 N 1.34 4.44 -0.68 4.03 3.52 -1.26 -1.84 118.95 128.49 3ky9 s ARG 436 Ca 0.01 1.67 0.05 0.00 -0.13 0.00 0.00 55.73 57.32 3ky9 s ARG 436 Cb -0.16 -3.42 0.17 0.00 -1.56 0.00 0.00 34.95 29.98 3ky9 s ARG 436 CO -0.05 -0.26 0.48 0.50 -0.81 0.00 0.00 175.30 175.17 3ky9 s ARG 437 N 1.32 2.35 6.15 5.12 3.52 0.14 -4.98 118.95 132.57 3ky9 s ARG 437 Ca 0.56 -3.26 0.00 0.00 -0.13 0.00 0.00 55.73 52.90 3ky9 s ARG 437 Cb -0.26 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 3ky9 s ARG 437 CO 0.27 -1.29 0.00 0.41 -0.81 0.00 0.00 175.30 173.88 3ky9 n GLY 438 N 2.03 1.66 0.39 8.12 0.00 -1.26 -2.48 105.19 113.66 3ky9 n GLY 438 Ca 0.20 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3ky9 n GLY 438 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ky9 n ASP 439 N 10.47 1.81 -4.64 1.61 9.92 -1.26 -4.93 116.55 129.52 3ky9 n ASP 439 Ca 0.00 -1.41 -0.30 0.00 -0.53 0.00 0.00 54.79 52.55 3ky9 n ASP 439 Cb 0.00 0.59 -0.09 0.00 -0.64 0.00 0.00 41.12 40.98 3ky9 n ASP 439 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3ky9 s SER 440 N -2.56 4.79 -0.14 -2.24 1.04 -1.04 -4.92 113.70 108.63 3ky9 s SER 440 Ca 0.16 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.36 3ky9 s SER 440 Cb 0.17 -1.07 0.02 0.00 0.10 0.00 0.00 66.02 65.24 3ky9 s SER 440 CO 0.63 0.18 -0.18 -0.31 0.98 0.00 0.00 173.24 174.54 3ky9 s TYR 441 N -1.26 2.37 -0.22 5.02 2.02 -0.31 0.26 117.35 125.23 3ky9 s TYR 441 Ca 0.24 -1.27 -0.17 0.00 -0.37 0.00 0.00 57.07 55.50 3ky9 s TYR 441 Cb -0.11 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3ky9 s TYR 441 CO 0.16 -0.64 0.45 -0.51 -1.57 0.00 0.00 175.55 173.45 3ky9 s ASP 442 N 1.16 6.46 -0.70 2.29 1.01 -0.77 -0.90 116.67 125.22 3ky9 s ASP 442 Ca -0.01 0.55 -0.26 0.00 0.71 0.00 0.00 52.55 53.53 3ky9 s ASP 442 Cb -0.14 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.54 3ky9 s ASP 442 CO -0.07 -0.16 1.58 -0.22 0.21 0.00 0.00 175.17 176.52 3ky9 s LEU 443 N 1.66 3.23 0.21 1.23 2.96 -0.83 -1.24 118.68 125.91 3ky9 s LEU 443 Ca 0.21 -0.14 0.18 0.00 -0.22 0.00 0.00 54.13 54.16 3ky9 s LEU 443 Cb -0.15 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.01 3ky9 s LEU 443 CO 0.09 -2.11 1.18 0.11 -1.32 0.00 0.00 176.35 174.29 3ky9 h LYS 444 N 12.34 0.00 -0.74 1.98 1.79 -1.66 -3.46 116.57 126.83 3ky9 h LYS 444 Ca -0.24 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.26 3ky9 h LYS 444 Cb 1.10 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.56 3ky9 h LYS 444 CO 1.26 0.26 -0.31 0.34 -1.08 0.00 0.00 179.45 179.92 3ky9 s ASP 445 N -5.98 -1.16 0.19 0.86 3.68 -0.83 -5.02 116.67 108.41 3ky9 s ASP 445 Ca 0.01 -0.38 -0.30 0.00 2.13 0.00 0.00 52.55 54.01 3ky9 s ASP 445 Cb 0.08 1.54 -0.09 0.00 -1.45 0.00 0.00 42.92 43.00 3ky9 s ASP 445 CO 0.77 -0.15 1.35 0.12 0.13 0.00 0.00 175.17 177.39 3ky9 s PHE 446 N 2.16 3.21 -0.25 -5.34 5.36 -1.26 -2.13 117.98 119.73 3ky9 s PHE 446 Ca 0.16 1.12 0.01 0.00 -0.96 0.00 0.00 56.93 57.26 3ky9 s PHE 446 Cb -0.03 -3.66 0.06 0.00 -0.34 0.00 0.00 43.02 39.05 3ky9 s PHE 446 CO -0.14 -2.15 -0.05 0.08 -1.46 0.00 0.00 175.22 171.51 3ky9 s VAL 447 N 0.34 1.64 -0.65 3.12 1.01 0.12 -4.98 120.40 121.00 3ky9 s VAL 447 Ca 0.59 -1.36 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 3ky9 s VAL 447 Cb -0.37 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3ky9 s VAL 447 CO 0.37 -0.15 1.44 0.21 0.00 0.00 0.00 175.10 176.97 3ky9 s ASN 448 N 1.33 5.97 0.00 3.32 3.84 -1.26 -1.27 114.94 126.87 3ky9 s ASN 448 Ca -0.04 -0.04 0.15 0.00 0.21 0.00 0.00 52.86 53.13 3ky9 s ASN 448 Cb -0.19 -2.55 0.87 0.00 -0.55 0.00 0.00 41.25 38.83 3ky9 s ASN 448 CO -0.07 -1.90 1.33 0.18 -2.79 0.00 0.00 177.10 173.85 3ky9 n LEU 449 N 10.12 0.00 -0.15 3.21 4.77 -1.03 -2.88 117.00 131.04 3ky9 n LEU 449 Ca 0.10 0.06 0.21 0.00 -0.03 0.00 0.00 56.01 56.35 3ky9 n LEU 449 Cb 0.50 -0.06 0.61 0.00 -2.33 0.00 0.00 43.42 42.14 3ky9 n LEU 449 CO 0.71 -0.03 1.22 0.45 -1.33 0.00 0.00 177.39 178.41 3ky9 h HIS 450 N 0.00 0.25 -0.02 -1.77 3.86 -1.90 -2.88 115.15 112.69 3ky9 h HIS 450 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3ky9 h HIS 450 Cb 0.03 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.42 3ky9 h HIS 450 CO 0.00 0.08 -0.22 0.43 0.86 0.00 0.00 177.93 179.07 3ky9 n SER 451 N -4.41 2.47 -4.68 2.45 7.64 -1.14 -5.00 113.62 110.95 3ky9 n SER 451 Ca 0.16 -1.73 -0.23 0.00 1.01 0.00 0.00 58.87 58.08 3ky9 n SER 451 Cb 0.72 0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 64.08 3ky9 n SER 451 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3ky9 s PHE 452 N -2.15 2.76 0.03 1.43 0.08 -1.09 -3.58 117.98 115.45 3ky9 s PHE 452 Ca 0.22 -0.23 -0.08 0.00 0.12 0.00 0.00 56.93 56.96 3ky9 s PHE 452 Cb 0.18 -1.30 0.00 0.00 -0.57 0.00 0.00 43.02 41.34 3ky9 s PHE 452 CO 0.42 0.56 0.17 -0.65 -0.10 0.00 0.00 175.22 175.61 3ky9 s GLN 453 N -3.73 0.63 -0.13 0.44 -0.21 0.13 -4.95 119.66 111.84 3ky9 s GLN 453 Ca 0.33 -0.60 -0.14 0.00 0.02 0.00 0.00 55.36 54.97 3ky9 s GLN 453 Cb -0.06 0.26 -0.05 0.00 1.00 0.00 0.00 33.01 34.16 3ky9 s GLN 453 CO 0.21 -0.17 0.33 0.08 -2.12 0.00 0.00 175.29 173.62 3ky9 s VAL 454 N -2.29 5.26 -0.16 1.09 1.01 -1.26 -1.66 120.40 122.39 3ky9 s VAL 454 Ca -0.07 0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 3ky9 s VAL 454 Cb -0.03 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.75 3ky9 s VAL 454 CO -0.03 0.43 0.03 -0.60 0.00 0.00 0.00 175.10 174.93 3ky9 s ARG 455 N 0.14 0.61 0.90 2.72 3.52 -0.25 -4.99 118.95 121.59 3ky9 s ARG 455 Ca 0.19 -0.25 -0.12 0.00 -0.13 0.00 0.00 55.73 55.42 3ky9 s ARG 455 Cb -0.14 -1.77 0.13 0.00 -1.56 0.00 0.00 34.95 31.61 3ky9 s ARG 455 CO 0.06 -0.54 1.11 0.34 -0.81 0.00 0.00 175.30 175.45 3ky9 s ASP 456 N 1.91 3.56 -0.30 -2.12 -1.08 -1.26 -0.35 116.67 117.02 3ky9 s ASP 456 Ca 0.01 1.23 -0.19 0.00 -0.52 0.00 0.00 52.55 53.08 3ky9 s ASP 456 Cb -0.16 -1.89 0.20 0.00 -1.46 0.00 0.00 42.92 39.61 3ky9 s ASP 456 CO -0.07 -2.55 1.29 -0.62 0.52 0.00 0.00 175.17 173.74 3ky9 s ASP 457 N -3.72 -0.06 0.00 -0.34 -1.08 -1.26 -4.77 116.67 105.44 3ky9 s ASP 457 Ca 0.63 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 3ky9 s ASP 457 Cb -0.16 1.07 0.00 0.00 -1.46 0.00 0.00 42.92 42.37 3ky9 s ASP 457 CO 0.55 -0.01 0.00 -0.90 0.52 0.00 0.00 175.17 175.33 3ky9 n ASP 463 N 4.57 0.00 -4.57 -0.34 5.75 -1.26 -4.63 116.55 116.06 3ky9 n ASP 463 Ca -0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.42 3ky9 n ASP 463 Cb 0.56 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.59 3ky9 n ASP 463 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3ky9 s ASN 464 N 0.00 5.30 -0.24 -1.12 -0.87 -1.26 -4.93 114.94 111.81 3ky9 s ASN 464 Ca 0.00 -1.49 -0.15 0.00 -1.57 0.00 0.00 52.86 49.65 3ky9 s ASN 464 Cb 0.00 -2.58 -0.04 0.00 -0.02 0.00 0.00 41.25 38.61 3ky9 s ASN 464 CO 0.00 -2.74 0.37 -0.54 -2.57 0.00 0.00 177.10 171.62 3ky9 s LYS 465 N 6.31 4.08 -0.23 -0.60 1.02 -1.26 -5.03 119.74 124.04 3ky9 s LYS 465 Ca 0.66 0.08 -0.37 0.00 0.02 0.00 0.00 55.97 56.37 3ky9 s LYS 465 Cb -0.02 -3.61 -0.13 0.00 -0.52 0.00 0.00 37.83 33.56 3ky9 s LYS 465 CO 0.08 -0.17 1.92 1.17 -0.92 0.00 0.00 175.35 177.43 3ky9 n LYS 466 N 4.97 1.52 -0.54 1.68 4.81 -1.26 -1.40 118.16 127.94 3ky9 n LYS 466 Ca -0.09 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 3ky9 n LYS 466 Cb 0.51 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.15 3ky9 n LYS 466 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3ky9 n TRP 467 N 7.07 0.00 0.74 5.64 7.02 -0.67 -4.97 117.44 132.27 3ky9 n TRP 467 Ca 0.29 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.85 3ky9 n TRP 467 Cb 0.22 -0.13 -0.02 0.00 -2.42 0.00 0.00 31.31 28.95 3ky9 n TRP 467 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3ky9 n SER 468 N 0.53 1.42 -4.55 -0.99 3.41 -0.49 -4.54 113.62 108.40 3ky9 n SER 468 Ca 0.00 -1.21 -0.40 0.00 -0.26 0.00 0.00 58.87 56.99 3ky9 n SER 468 Cb 0.00 0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 3ky9 n SER 468 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3ky9 s HIS 469 N -2.08 2.26 0.17 7.33 3.76 -1.25 -4.91 115.29 120.57 3ky9 s HIS 469 Ca 0.12 -0.12 0.10 0.00 -0.15 0.00 0.00 55.06 55.01 3ky9 s HIS 469 Cb 0.13 -4.57 -0.04 0.00 1.11 0.00 0.00 32.58 29.20 3ky9 s HIS 469 CO 0.48 -2.06 -0.21 0.00 -0.85 0.00 0.00 174.74 172.09 3ky9 s MET 470 N 5.74 1.35 0.13 1.40 0.23 -1.26 -0.76 119.30 126.14 3ky9 s MET 470 Ca 0.42 -1.42 0.02 0.00 -1.03 0.00 0.00 55.69 53.68 3ky9 s MET 470 Cb -0.07 -1.55 -0.04 0.00 -1.53 0.00 0.00 34.83 31.64 3ky9 s MET 470 CO 0.10 0.33 -0.05 -0.59 -2.03 0.00 0.00 175.02 172.77 3ky9 s PHE 471 N -1.77 1.04 -0.11 3.16 -0.12 -1.05 -4.00 117.98 115.13 3ky9 s PHE 471 Ca 0.16 -0.91 -0.06 0.00 -0.05 0.00 0.00 56.93 56.07 3ky9 s PHE 471 Cb -0.07 -0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 3ky9 s PHE 471 CO 0.07 -0.12 0.10 -0.51 -0.05 0.00 0.00 175.22 174.72 3ky9 s LEU 472 N -3.10 4.18 -0.37 -1.99 1.43 0.52 -1.96 118.68 117.40 3ky9 s LEU 472 Ca 0.16 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.62 3ky9 s LEU 472 Cb 0.05 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.36 3ky9 s LEU 472 CO -0.02 0.40 0.13 -0.22 0.23 0.00 0.00 176.35 176.87 3ky9 s LEU 473 N -0.95 4.84 -0.01 1.79 2.96 -0.11 -1.09 118.68 126.11 3ky9 s LEU 473 Ca 0.14 -1.87 0.07 0.00 -0.22 0.00 0.00 54.13 52.25 3ky9 s LEU 473 Cb -0.12 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3ky9 s LEU 473 CO 0.03 -0.45 -0.22 0.27 -1.32 0.00 0.00 176.35 174.67 3ky9 s ILE 474 N 1.13 1.74 -0.04 6.68 -4.36 -0.66 -1.66 121.20 124.02 3ky9 s ILE 474 Ca 0.05 -0.99 -0.19 0.00 -0.26 0.00 0.00 60.65 59.27 3ky9 s ILE 474 Cb -0.21 -1.46 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 3ky9 s ILE 474 CO -0.04 0.45 0.54 -1.83 0.24 0.00 0.00 174.94 174.31 3ky9 s GLU 475 N -0.62 4.28 -0.20 0.37 -1.05 -1.26 -0.69 118.70 119.53 3ky9 s GLU 475 Ca 0.09 0.62 0.02 0.00 -0.15 0.00 0.00 54.97 55.54 3ky9 s GLU 475 Cb -0.09 -3.36 0.31 0.00 -0.44 0.00 0.00 34.13 30.56 3ky9 s GLU 475 CO -0.00 0.33 1.41 -3.47 0.95 0.00 0.00 175.26 174.48 3ky9 n ASP 476 N 2.95 3.34 -2.71 0.83 2.03 -1.23 -2.97 116.55 118.79 3ky9 n ASP 476 Ca -0.07 -2.74 -0.04 0.00 0.52 0.00 0.00 54.79 52.46 3ky9 n ASP 476 Cb 0.51 -0.66 0.10 0.00 -0.72 0.00 0.00 41.12 40.36 3ky9 n ASP 476 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3ky9 n GLN 477 N -0.24 1.34 0.00 -0.67 7.27 -1.26 -5.19 117.38 118.62 3ky9 n GLN 477 Ca 0.27 -2.04 0.00 0.00 0.07 0.00 0.00 57.00 55.30 3ky9 n GLN 477 Cb 1.03 -0.27 0.00 0.00 2.41 0.00 0.00 30.24 33.42 3ky9 n GLN 477 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ky9 n GLY 478 N -0.90 1.06 3.42 1.69 0.00 -1.16 -5.23 105.19 104.07 3ky9 n GLY 478 Ca -0.06 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3ky9 n GLY 478 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ky9 s TYR 482 N 1.44 2.51 -0.11 1.61 2.02 -0.67 -4.78 117.35 119.37 3ky9 s TYR 482 Ca 0.00 -0.29 -0.05 0.00 -0.37 0.00 0.00 57.07 56.36 3ky9 s TYR 482 Cb 0.00 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 3ky9 s TYR 482 CO 0.00 0.17 0.06 -1.83 -1.57 0.00 0.00 175.55 172.38 3ky9 s GLU 483 N -1.13 3.32 -0.18 -0.62 -1.05 -0.41 -0.93 118.70 117.69 3ky9 s GLU 483 Ca 0.13 -0.29 -0.01 0.00 -0.15 0.00 0.00 54.97 54.64 3ky9 s GLU 483 Cb -0.10 -3.01 -0.00 0.00 -0.44 0.00 0.00 34.13 30.57 3ky9 s GLU 483 CO 0.03 0.66 -0.12 -0.51 0.95 0.00 0.00 175.26 176.27 3ky9 s LEU 484 N -0.74 2.60 -0.10 1.83 1.43 -0.83 -2.69 118.68 120.19 3ky9 s LEU 484 Ca 0.12 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3ky9 s LEU 484 Cb -0.12 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3ky9 s LEU 484 CO 0.03 0.04 -0.03 -0.36 0.23 0.00 0.00 176.35 176.26 3ky9 s PHE 485 N 1.08 3.06 0.04 0.29 0.08 0.29 -2.52 117.98 120.31 3ky9 s PHE 485 Ca -0.00 0.04 0.08 0.00 0.12 0.00 0.00 56.93 57.17 3ky9 s PHE 485 Cb -0.15 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 3ky9 s PHE 485 CO -0.03 0.32 -0.22 -0.06 -0.10 0.00 0.00 175.22 175.13 3ky9 s PHE 486 N -0.60 1.96 0.27 0.36 0.08 0.06 -2.38 117.98 117.75 3ky9 s PHE 486 Ca 0.09 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.77 3ky9 s PHE 486 Cb -0.12 -1.17 0.58 0.00 -0.57 0.00 0.00 43.02 41.74 3ky9 s PHE 486 CO 0.02 0.10 1.78 -0.22 -0.10 0.00 0.00 175.22 176.79 3ky9 h LYS 487 N 4.87 0.70 -4.79 0.44 3.64 -1.89 -3.28 116.57 116.26 3ky9 h LYS 487 Ca -0.44 -0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 58.63 3ky9 h LYS 487 Cb 1.15 -0.16 -0.15 0.00 -0.41 0.00 0.00 32.23 32.67 3ky9 h LYS 487 CO 0.44 0.46 -0.68 0.95 -2.27 0.00 0.00 179.45 178.35 3ky9 s THR 488 N -5.94 0.76 0.25 1.00 -4.23 -1.26 -1.67 115.64 104.54 3ky9 s THR 488 Ca -0.12 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.37 3ky9 s THR 488 Cb 0.23 -1.95 0.22 0.00 1.34 0.00 0.00 72.50 72.33 3ky9 s THR 488 CO 0.79 -0.63 1.81 -0.09 -0.54 0.00 0.00 174.62 175.95 3ky9 h ARG 489 N 2.79 0.77 -0.39 3.99 2.43 -1.95 -2.15 114.38 119.87 3ky9 h ARG 489 Ca -0.36 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.60 3ky9 h ARG 489 Cb 1.19 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3ky9 h ARG 489 CO 0.63 0.51 -0.39 0.93 -1.51 0.00 0.00 179.97 180.15 3ky9 h GLU 490 N 0.80 0.94 0.11 0.20 3.07 -1.96 -1.76 114.58 115.98 3ky9 h GLU 490 Ca 0.40 -0.49 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 3ky9 h GLU 490 Cb 0.37 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 3ky9 h GLU 490 CO -0.25 1.15 -0.16 -0.07 -1.40 0.00 0.00 179.01 178.29 3ky9 h LEU 491 N 0.77 -0.42 -0.81 1.33 3.38 -1.88 -1.41 115.31 116.26 3ky9 h LEU 491 Ca 0.06 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.21 3ky9 h LEU 491 Cb 0.98 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 3ky9 h LEU 491 CO 0.10 -0.23 0.42 0.50 0.09 0.00 0.00 178.44 179.31 3ky9 h LYS 492 N -0.32 0.62 -0.36 1.13 3.64 -1.29 -0.79 116.57 119.20 3ky9 h LYS 492 Ca 0.02 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3ky9 h LYS 492 Cb 0.32 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3ky9 h LYS 492 CO -0.07 0.41 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.27 3ky9 h LYS 493 N 0.64 0.58 -0.03 1.90 3.64 -1.01 0.22 116.57 122.51 3ky9 h LYS 493 Ca 0.43 -0.14 -0.22 0.00 -1.27 0.00 0.00 60.65 59.45 3ky9 h LYS 493 Cb 0.54 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3ky9 h LYS 493 CO -0.33 0.62 -0.90 -0.22 -2.27 0.00 0.00 179.45 176.36 3ky9 h LYS 494 N 0.55 0.46 -0.01 1.90 3.64 -0.09 -1.94 116.57 121.08 3ky9 h LYS 494 Ca 0.11 -0.46 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 3ky9 h LYS 494 Cb 0.39 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3ky9 h LYS 494 CO 0.02 1.11 -0.04 -1.49 -2.27 0.00 0.00 179.45 176.77 3ky9 h TRP 495 N 0.28 0.07 -0.88 1.91 4.06 -1.07 -2.77 115.95 117.54 3ky9 h TRP 495 Ca -0.07 -0.03 0.09 0.00 2.06 0.00 0.00 58.89 60.93 3ky9 h TRP 495 Cb 1.52 -0.01 -0.07 0.00 -1.00 0.00 0.00 29.16 29.60 3ky9 h TRP 495 CO 0.06 0.69 0.53 1.98 -3.56 0.00 0.00 178.44 178.14 3ky9 h MET 496 N -0.57 0.89 -0.86 0.49 4.05 -1.00 0.18 114.93 118.11 3ky9 h MET 496 Ca -0.00 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.39 3ky9 h MET 496 Cb 0.69 -0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 31.24 3ky9 h MET 496 CO 0.01 0.59 0.56 1.49 0.23 0.00 0.00 176.91 179.79 3ky9 h GLU 497 N 0.92 1.09 -0.28 0.39 4.81 -1.42 -0.99 114.58 119.09 3ky9 h GLU 497 Ca 0.41 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.45 3ky9 h GLU 497 Cb 0.31 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3ky9 h GLU 497 CO -0.22 0.72 -0.35 1.96 -0.73 0.00 0.00 179.01 180.39 3ky9 h GLN 498 N 1.12 0.62 -0.61 1.92 1.08 -0.77 -2.31 115.11 116.15 3ky9 h GLN 498 Ca 0.33 -0.29 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 3ky9 h GLN 498 Cb -0.06 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 3ky9 h GLN 498 CO -0.09 0.88 0.18 0.74 -0.95 0.00 0.00 178.83 179.59 3ky9 h PHE 499 N 0.52 0.96 -0.40 2.96 -1.00 -0.13 -1.33 116.94 118.53 3ky9 h PHE 499 Ca 0.05 -0.08 -0.10 0.00 2.81 0.00 0.00 57.97 60.65 3ky9 h PHE 499 Cb 0.85 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 3ky9 h PHE 499 CO 0.04 0.78 -0.14 0.93 -1.61 0.00 0.00 178.31 178.31 3ky9 h GLU 500 N 0.90 0.79 -0.41 1.51 5.08 -1.02 -1.46 114.58 119.98 3ky9 h GLU 500 Ca 0.20 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 3ky9 h GLU 500 Cb 0.27 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3ky9 h GLU 500 CO -0.01 0.94 0.03 0.52 -1.00 0.00 0.00 179.01 179.50 3ky9 h MET 501 N 0.60 0.64 0.04 2.33 2.86 -1.10 0.10 114.93 120.41 3ky9 h MET 501 Ca 0.10 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3ky9 h MET 501 Cb 0.67 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3ky9 h MET 501 CO 0.05 0.64 -0.02 0.00 1.06 0.00 0.00 176.91 178.64 3ky9 h ALA 502 N 1.42 -0.05 -0.43 6.32 0.00 -1.06 -0.11 119.26 125.35 3ky9 h ALA 502 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3ky9 h ALA 502 Cb 0.34 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ky9 h ALA 502 CO 0.01 -0.38 -0.03 0.82 0.00 0.00 0.00 179.25 179.67 3ky9 h ILE 503 N -0.36 1.24 -0.20 0.00 2.04 -1.10 -1.91 117.51 117.22 3ky9 h ILE 503 Ca -0.01 -0.99 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 3ky9 h ILE 503 Cb 0.33 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3ky9 h ILE 503 CO 0.01 0.34 -0.26 -1.28 0.00 0.00 0.00 178.15 176.96 3ky9 h SER 504 N 0.67 0.38 -0.13 1.72 0.87 -0.59 -0.19 113.55 116.27 3ky9 h SER 504 Ca 0.13 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 3ky9 h SER 504 Cb 0.45 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3ky9 h SER 504 CO 0.02 0.64 -0.26 0.78 -0.53 0.00 0.00 176.83 177.48 3ky9 h ASN 505 N 0.34 0.60 -0.24 6.23 2.35 -0.55 -0.92 115.58 123.38 3ky9 h ASN 505 Ca 0.05 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.49 3ky9 h ASN 505 Cb 0.64 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 3ky9 h ASN 505 CO 0.05 0.84 -0.23 0.40 -1.65 0.00 0.00 177.43 176.83 3ky9 h ILE 506 N 0.51 1.32 -2.72 2.81 2.04 -0.93 -3.39 117.51 117.16 3ky9 h ILE 506 Ca 0.07 -1.39 -0.61 0.00 1.00 0.00 0.00 64.86 63.93 3ky9 h ILE 506 Cb 0.72 1.68 -0.41 0.00 -0.74 0.00 0.00 36.82 38.07 3ky9 h ILE 506 CO 0.06 0.43 -0.74 -1.22 0.00 0.00 0.00 178.15 176.68 3ky9 n TYR 507 N -4.37 1.72 -1.69 1.37 4.01 -0.12 -4.68 117.16 113.40 3ky9 n TYR 507 Ca -0.05 -3.93 -0.29 0.00 -0.16 0.00 0.00 57.90 53.47 3ky9 n TYR 507 Cb 0.43 -0.31 0.10 0.00 -0.31 0.00 0.00 39.34 39.25 3ky9 n TYR 507 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3ky9 s PRO 508 N -1.04 1.78 0.29 -0.72 0.02 -0.36 -4.58 135.00 130.40 3ky9 s PRO 508 Ca 0.29 0.33 -0.30 0.00 0.02 0.00 0.00 61.00 61.35 3ky9 s PRO 508 Cb 0.01 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 3ky9 s PRO 508 CO -0.16 -1.76 1.57 -1.21 -0.33 0.00 0.00 177.00 175.10 3ky9 s GLU 509 N -5.35 4.14 -0.47 5.54 2.02 -1.26 -2.59 118.70 120.72 3ky9 s GLU 509 Ca 0.62 2.54 0.00 0.00 0.02 0.00 0.00 54.97 58.15 3ky9 s GLU 509 Cb -0.13 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.07 3ky9 s GLU 509 CO 0.52 -0.60 0.00 0.09 0.02 0.00 0.00 175.26 175.29 3ky9 n ASN 510 N 2.06 -3.88 0.06 -0.19 3.02 -1.26 -4.65 115.26 110.42 3ky9 n ASN 510 Ca 0.07 0.11 0.04 0.00 -0.03 0.00 0.00 54.58 54.77 3ky9 n ASN 510 Cb 0.38 -1.77 0.43 0.00 -0.61 0.00 0.00 39.78 38.22 3ky9 n ASN 510 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ky9 h ALA 511 N 0.00 1.67 -0.28 5.41 0.00 -1.85 -2.32 119.26 121.89 3ky9 h ALA 511 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ky9 h ALA 511 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ky9 h ALA 511 CO 0.13 0.27 0.00 -2.37 0.00 0.00 0.00 179.25 177.28 3ky9 n THR 512 N -4.43 1.83 -2.58 0.00 5.66 -1.26 -1.32 114.28 112.18 3ky9 n THR 512 Ca 0.01 -1.57 -0.37 0.00 -3.05 0.00 0.00 64.05 59.06 3ky9 n THR 512 Cb 0.12 0.01 -0.05 0.00 -1.55 0.00 0.00 70.33 68.87 3ky9 n THR 512 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ky9 s ALA 513 N -2.18 3.18 -1.54 1.79 0.00 -0.87 -3.85 121.76 118.29 3ky9 s ALA 513 Ca 0.35 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 3ky9 s ALA 513 Cb 0.26 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 20.13 3ky9 s ALA 513 CO 0.11 -0.11 0.64 0.09 0.00 0.00 0.00 175.76 176.48 3ky9 n ASN 514 N 0.36 -5.99 0.00 0.00 4.13 -1.26 -2.09 115.26 110.40 3ky9 n ASN 514 Ca 0.03 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 55.98 3ky9 n ASN 514 Cb 0.49 -4.84 0.00 0.00 -1.54 0.00 0.00 39.78 33.89 3ky9 n ASN 514 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ky9 n GLY 515 N -1.53 1.88 3.68 7.41 0.00 -1.25 -1.56 105.19 113.81 3ky9 n GLY 515 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 3ky9 n GLY 515 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ky9 s HIS 516 N -2.97 2.11 -0.44 1.61 3.76 -0.89 -4.82 115.29 113.66 3ky9 s HIS 516 Ca 0.00 1.22 0.07 0.00 -0.15 0.00 0.00 55.06 56.20 3ky9 s HIS 516 Cb 0.00 -3.19 0.24 0.00 1.11 0.00 0.00 32.58 30.74 3ky9 s HIS 516 CO 0.00 -2.71 0.54 -3.47 -0.85 0.00 0.00 174.74 168.25 3ky9 n ASP 517 N -4.09 0.70 -4.72 1.40 4.64 -1.25 -4.32 116.55 108.90 3ky9 n ASP 517 Ca 0.06 -2.78 -0.41 0.00 -1.38 0.00 0.00 54.79 50.28 3ky9 n ASP 517 Cb 0.55 -0.64 -0.04 0.00 -1.04 0.00 0.00 41.12 39.96 3ky9 n ASP 517 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3ky9 s PHE 518 N -1.26 3.56 0.05 -0.67 0.08 -0.44 -4.02 117.98 115.28 3ky9 s PHE 518 Ca 0.35 1.52 -0.00 0.00 0.12 0.00 0.00 56.93 58.92 3ky9 s PHE 518 Cb 0.15 -3.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.28 3ky9 s PHE 518 CO -0.11 -0.71 -0.03 -0.65 -0.10 0.00 0.00 175.22 173.62 3ky9 s GLN 519 N 0.36 0.54 0.47 0.44 -0.21 -0.84 -4.88 119.66 115.55 3ky9 s GLN 519 Ca 0.53 -1.04 -0.23 0.00 0.02 0.00 0.00 55.36 54.63 3ky9 s GLN 519 Cb -0.28 0.13 -0.08 0.00 1.00 0.00 0.00 33.01 33.78 3ky9 s GLN 519 CO 0.32 -0.08 1.18 -1.33 -2.12 0.00 0.00 175.29 173.25 3ky9 n MET 520 N 0.57 1.58 -3.65 2.91 2.81 -1.26 -1.74 117.12 118.34 3ky9 n MET 520 Ca -0.17 0.57 -0.09 0.00 -1.81 0.00 0.00 57.70 56.20 3ky9 n MET 520 Cb 0.59 -2.30 -0.07 0.00 -0.71 0.00 0.00 33.22 30.72 3ky9 n MET 520 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 3ky9 s PHE 521 N -1.29 -0.94 -0.42 2.03 5.36 -0.62 -4.78 117.98 117.32 3ky9 s PHE 521 Ca 0.66 1.98 -0.19 0.00 -0.96 0.00 0.00 56.93 58.41 3ky9 s PHE 521 Cb -0.49 0.51 0.02 0.00 -0.34 0.00 0.00 43.02 42.72 3ky9 s PHE 521 CO 0.54 -0.47 0.55 -1.54 -1.46 0.00 0.00 175.22 172.84 3ky9 s SER 522 N 1.29 6.27 0.20 6.13 1.04 -1.26 -3.46 113.70 123.90 3ky9 s SER 522 Ca -0.07 -0.46 -0.30 0.00 0.48 0.00 0.00 55.95 55.59 3ky9 s SER 522 Cb -0.05 -2.27 -0.08 0.00 0.10 0.00 0.00 66.02 63.71 3ky9 s SER 522 CO -0.14 -0.67 1.01 -0.36 0.98 0.00 0.00 173.24 174.05 3ky9 s PHE 523 N 2.50 3.79 -0.01 5.02 0.08 -1.26 -4.84 117.98 123.25 3ky9 s PHE 523 Ca 0.18 1.78 -0.01 0.00 0.12 0.00 0.00 56.93 58.99 3ky9 s PHE 523 Cb -0.15 -3.11 -0.27 0.00 -0.57 0.00 0.00 43.02 38.91 3ky9 s PHE 523 CO 0.16 -0.01 0.79 0.93 -0.10 0.00 0.00 175.22 177.00 3ky9 h GLU 524 N 4.71 0.22 -6.21 0.44 5.08 -1.96 -3.43 114.58 113.43 3ky9 h GLU 524 Ca -0.45 -0.37 -0.59 0.00 -1.00 0.00 0.00 59.36 56.96 3ky9 h GLU 524 Cb 1.21 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.52 3ky9 h GLU 524 CO 0.70 1.05 -0.58 -1.21 -1.00 0.00 0.00 179.01 177.97 3ky9 s GLU 525 N -2.61 2.85 -0.07 2.33 2.02 -1.26 -5.05 118.70 116.91 3ky9 s GLU 525 Ca -0.10 -0.86 -0.38 0.00 0.02 0.00 0.00 54.97 53.65 3ky9 s GLU 525 Cb 0.07 -2.63 -0.16 0.00 0.10 0.00 0.00 34.13 31.51 3ky9 s GLU 525 CO 0.84 0.49 1.53 2.41 0.02 0.00 0.00 175.26 180.55 3ky9 n THR 526 N -0.20 0.15 -4.40 3.63 -1.04 -1.26 -4.96 114.28 106.20 3ky9 n THR 526 Ca -0.08 -0.03 -0.20 0.00 -2.04 0.00 0.00 64.05 61.70 3ky9 n THR 526 Cb 0.54 -1.03 -0.14 0.00 -1.82 0.00 0.00 70.33 67.88 3ky9 n THR 526 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3ky9 s THR 527 N 1.88 1.01 0.28 12.58 2.01 -1.26 -5.09 115.64 127.04 3ky9 s THR 527 Ca 0.90 -0.81 0.10 0.00 0.31 0.00 0.00 61.69 62.19 3ky9 s THR 527 Cb -0.99 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 3ky9 s THR 527 CO 0.55 0.08 -0.04 -0.94 -0.69 0.00 0.00 174.62 173.58 3ky9 s SER 528 N -0.83 4.32 0.16 3.53 1.04 -1.26 -0.99 113.70 119.67 3ky9 s SER 528 Ca 0.02 -0.75 -0.21 0.00 0.48 0.00 0.00 55.95 55.49 3ky9 s SER 528 Cb -0.07 -0.71 -0.08 0.00 0.10 0.00 0.00 66.02 65.27 3ky9 s SER 528 CO 0.01 -0.02 0.68 0.00 0.98 0.00 0.00 173.24 174.89 3ky9 n LYS 530 N 1.27 1.16 0.00 0.00 4.76 -0.18 -1.85 118.16 123.32 3ky9 n LYS 530 Ca -0.06 -0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 3ky9 n LYS 530 Cb 0.50 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 3ky9 n LYS 530 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ky9 n ALA 531 N -0.20 3.00 1.68 7.82 0.00 -1.26 -4.46 120.51 127.10 3ky9 n ALA 531 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.59 3ky9 n ALA 531 Cb 0.15 0.01 0.81 0.00 0.00 0.00 0.00 19.45 20.41 3ky9 n ALA 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ky9 n GLN 533 N -1.02 0.00 -2.62 0.00 1.13 -0.77 -4.90 117.38 109.20 3ky9 n GLN 533 Ca 0.20 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 55.05 3ky9 n GLN 533 Cb 0.10 -3.59 0.04 0.00 0.11 0.00 0.00 30.24 26.90 3ky9 n GLN 533 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3ky9 s MET 534 N -0.59 2.51 0.33 -1.09 -1.94 -1.26 -4.48 119.30 112.78 3ky9 s MET 534 Ca 0.00 -0.77 -0.28 0.00 -1.71 0.00 0.00 55.69 52.94 3ky9 s MET 534 Cb 0.00 -2.47 -0.09 0.00 2.01 0.00 0.00 34.83 34.28 3ky9 s MET 534 CO 0.00 -0.75 1.14 -0.51 -0.01 0.00 0.00 175.02 174.89 3ky9 s LEU 535 N -4.79 4.39 -0.07 -0.03 1.43 -1.26 -1.55 118.68 116.79 3ky9 s LEU 535 Ca 0.58 2.33 -0.27 0.00 -1.03 0.00 0.00 54.13 55.74 3ky9 s LEU 535 Cb -0.10 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 3ky9 s LEU 535 CO 0.39 -0.38 0.88 -0.76 0.23 0.00 0.00 176.35 176.70 3ky9 s LEU 536 N -1.91 4.29 -0.01 1.79 1.02 -0.16 -4.88 118.68 118.82 3ky9 s LEU 536 Ca 0.50 1.40 0.00 0.00 0.02 0.00 0.00 54.13 56.06 3ky9 s LEU 536 Cb -0.32 -3.36 -0.04 0.00 0.02 0.00 0.00 46.19 42.50 3ky9 s LEU 536 CO 0.41 -0.28 0.03 -0.13 0.02 0.00 0.00 176.35 176.40 3ky9 s ARG 537 N 1.37 2.91 0.00 1.70 0.52 -1.26 -4.59 118.95 119.61 3ky9 s ARG 537 Ca 0.44 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 3ky9 s ARG 537 Cb -0.19 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.53 3ky9 s ARG 537 CO 0.20 0.64 0.00 0.41 0.02 0.00 0.00 175.30 176.57 3ky9 n GLY 538 N 1.36 -2.14 0.01 -3.53 0.00 -1.26 -4.56 105.19 95.07 3ky9 n GLY 538 Ca -0.14 -2.20 0.01 0.00 0.00 0.00 0.00 46.02 43.69 3ky9 n GLY 538 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ky9 n THR 539 N -0.37 1.09 -3.23 2.61 -2.24 -1.26 -4.87 114.28 106.01 3ky9 n THR 539 Ca 0.00 -1.14 0.03 0.00 -2.27 0.00 0.00 64.05 60.68 3ky9 n THR 539 Cb 0.00 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 3ky9 n THR 539 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3ky9 s PHE 540 N -1.21 -1.46 -1.28 4.78 5.36 -1.26 -4.82 117.98 118.08 3ky9 s PHE 540 Ca 0.04 1.70 -0.16 0.00 -0.96 0.00 0.00 56.93 57.55 3ky9 s PHE 540 Cb 0.04 0.57 0.01 0.00 -0.34 0.00 0.00 43.02 43.29 3ky9 s PHE 540 CO 0.00 -0.79 0.56 0.66 -1.46 0.00 0.00 175.22 174.20 3ky9 n TYR 541 N 5.43 -1.62 0.29 10.12 4.01 -1.26 -4.86 117.16 129.26 3ky9 n TYR 541 Ca -0.03 0.45 0.17 0.00 -0.16 0.00 0.00 57.90 58.33 3ky9 n TYR 541 Cb 0.51 -3.27 0.84 0.00 -0.31 0.00 0.00 39.34 37.11 3ky9 n TYR 541 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3ky9 h GLN 542 N -2.07 0.00 0.00 -0.72 7.50 -1.80 -3.47 115.11 114.55 3ky9 h GLN 542 Ca -0.67 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.48 3ky9 h GLN 542 Cb 1.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.91 3ky9 h GLN 542 CO 0.56 0.05 0.00 0.41 -1.50 0.00 0.00 178.83 178.35 3ky9 n GLY 543 N -0.50 -0.93 3.31 3.46 0.00 -1.24 -4.51 105.19 104.79 3ky9 n GLY 543 Ca -0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3ky9 n GLY 543 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ky9 s TYR 544 N -3.72 1.60 -0.07 1.61 1.51 -0.48 -1.59 117.35 116.21 3ky9 s TYR 544 Ca 0.00 -0.59 -0.05 0.00 -1.01 0.00 0.00 57.07 55.41 3ky9 s TYR 544 Cb 0.00 -0.77 0.03 0.00 -0.11 0.00 0.00 41.96 41.11 3ky9 s TYR 544 CO 0.00 0.28 0.18 0.50 -1.11 0.00 0.00 175.55 175.40 3ky9 s ARG 545 N -3.47 0.18 -0.36 -0.62 3.52 -0.71 -1.59 118.95 115.90 3ky9 s ARG 545 Ca 0.19 0.31 -0.14 0.00 -0.13 0.00 0.00 55.73 55.96 3ky9 s ARG 545 Cb -0.01 0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.38 3ky9 s ARG 545 CO 0.05 -0.07 0.29 0.00 -0.81 0.00 0.00 175.30 174.76 3ky9 n HIS 547 N 5.22 0.00 -0.12 0.00 1.44 -1.26 -1.19 115.22 119.32 3ky9 n HIS 547 Ca -0.11 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.45 3ky9 n HIS 547 Cb 0.49 -0.22 -0.12 0.00 0.12 0.00 0.00 29.99 30.26 3ky9 n HIS 547 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3ky9 n ARG 548 N -1.22 0.68 0.00 -1.40 1.74 -1.26 -4.56 116.66 110.64 3ky9 n ARG 548 Ca 0.03 0.10 0.01 0.00 -0.77 0.00 0.00 57.85 57.22 3ky9 n ARG 548 Cb 0.04 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 29.99 3ky9 n ARG 548 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ky9 n ARG 550 N -0.13 -0.32 -1.90 0.00 1.74 -0.33 -4.99 116.66 110.73 3ky9 n ARG 550 Ca 0.01 0.08 -0.36 0.00 -0.77 0.00 0.00 57.85 56.82 3ky9 n ARG 550 Cb 0.06 -3.32 0.04 0.00 -1.02 0.00 0.00 32.46 28.22 3ky9 n ARG 550 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ky9 s ALA 551 N -2.32 2.47 -0.02 7.54 0.00 -1.25 -4.80 121.76 123.39 3ky9 s ALA 551 Ca 0.00 0.97 0.05 0.00 0.00 0.00 0.00 51.96 52.97 3ky9 s ALA 551 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 3ky9 s ALA 551 CO 0.00 -1.29 -0.16 -1.54 0.00 0.00 0.00 175.76 172.77 3ky9 s SER 552 N -1.72 1.90 -0.00 0.00 1.04 -1.26 -2.14 113.70 111.52 3ky9 s SER 552 Ca 0.76 -0.30 -0.14 0.00 0.48 0.00 0.00 55.95 56.76 3ky9 s SER 552 Cb -0.30 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.58 3ky9 s SER 552 CO 0.35 0.19 0.28 0.00 0.98 0.00 0.00 173.24 175.04 3ky9 s ALA 553 N -0.30 -0.70 0.75 5.32 0.00 -0.62 -1.01 121.76 125.21 3ky9 s ALA 553 Ca 0.05 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 3ky9 s ALA 553 Cb -0.07 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.22 3ky9 s ALA 553 CO -0.00 -0.27 1.19 -1.01 0.00 0.00 0.00 175.76 175.66 3ky9 s HIS 554 N -1.52 2.04 0.25 0.00 3.76 -1.26 -1.39 115.29 117.18 3ky9 s HIS 554 Ca -0.12 1.62 -0.04 0.00 -0.15 0.00 0.00 55.06 56.37 3ky9 s HIS 554 Cb -0.05 -3.42 0.39 0.00 1.11 0.00 0.00 32.58 30.61 3ky9 s HIS 554 CO 0.03 -2.55 1.84 -0.22 -0.85 0.00 0.00 174.74 172.99 3ky9 h LYS 555 N -0.54 0.92 -0.03 1.40 3.64 -1.94 -2.73 116.57 117.28 3ky9 h LYS 555 Ca -0.47 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 58.65 3ky9 h LYS 555 Cb 1.29 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3ky9 h LYS 555 CO 0.49 0.61 -0.86 0.93 -2.27 0.00 0.00 179.45 178.35 3ky9 h GLU 556 N 0.95 0.41 0.00 1.90 3.07 -1.95 -3.22 114.58 115.73 3ky9 h GLU 556 Ca 0.40 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3ky9 h GLU 556 Cb 0.27 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3ky9 h GLU 556 CO -0.21 1.06 0.00 0.00 -1.40 0.00 0.00 179.01 178.46 3ky9 h LEU 558 N 0.00 0.35 -0.26 0.00 3.38 -1.56 -2.07 115.31 115.14 3ky9 h LEU 558 Ca 0.00 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ky9 h LEU 558 Cb 0.03 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3ky9 h LEU 558 CO 0.00 0.21 -0.18 1.23 0.09 0.00 0.00 178.44 179.79 3ky9 h GLY 559 N 0.51 0.00 1.38 0.83 0.00 -1.82 -3.13 103.07 100.84 3ky9 h GLY 559 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3ky9 h GLY 559 CO -0.26 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.82 3ky9 n ARG 560 N -3.17 0.62 -2.51 4.80 1.74 -0.78 -4.77 116.66 112.58 3ky9 n ARG 560 Ca 0.03 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.68 3ky9 n ARG 560 Cb 0.56 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 3ky9 n ARG 560 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ky9 s VAL 561 N -2.38 4.38 0.19 1.55 1.01 -1.19 -4.78 120.40 119.18 3ky9 s VAL 561 Ca 0.35 1.64 -0.22 0.00 0.00 0.00 0.00 61.98 63.74 3ky9 s VAL 561 Cb 0.21 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 32.29 3ky9 s VAL 561 CO 0.43 -0.26 0.37 -2.65 0.00 0.00 0.00 175.10 172.99 3ky9 n PRO 562 N 6.72 0.00 -1.41 2.72 -0.02 -1.26 -4.83 135.00 136.92 3ky9 n PRO 562 Ca 0.13 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.24 3ky9 n PRO 562 Cb 0.46 -0.82 0.05 0.00 -0.02 0.00 0.00 33.50 33.16 3ky9 n PRO 562 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ky9 n PRO 563 N 0.87 0.46 0.00 0.52 -0.02 -1.26 -5.04 135.00 130.53 3ky9 n PRO 563 Ca 0.14 0.19 0.04 0.00 -2.02 0.00 0.00 63.50 61.84 3ky9 n PRO 563 Cb 0.23 -1.76 0.22 0.00 -0.02 0.00 0.00 33.50 32.17 3ky9 n PRO 563 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48