#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ky9 n GLU 2 N 0.00 0.04 0.05 -1.58 0.00 -1.26 -4.79 120.64 113.10 3ky9 n GLU 2 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 57.16 57.09 3ky9 n GLU 2 Cb 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 31.44 30.13 3ky9 n GLU 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3ky9 h LEU 3 N -0.55 0.08 -0.76 -1.84 5.85 -2.04 -2.96 115.31 113.08 3ky9 h LEU 3 Ca -0.43 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.11 3ky9 h LEU 3 Cb 1.36 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 3ky9 h LEU 3 CO 0.34 1.07 -0.41 4.11 -0.34 0.00 0.00 178.44 183.21 3ky9 h TRP 4 N 0.01 0.00 -0.12 1.25 5.08 -1.99 -1.59 115.95 118.59 3ky9 h TRP 4 Ca -0.08 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.80 3ky9 h TRP 4 Cb 1.84 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.99 3ky9 h TRP 4 CO 0.01 0.41 -0.32 0.00 -1.28 0.00 0.00 178.44 177.26 3ky9 h ARG 5 N 0.00 0.23 -0.23 0.12 2.47 -1.91 -1.33 114.38 113.73 3ky9 h ARG 5 Ca -0.00 -0.09 -0.12 0.00 -1.26 0.00 0.00 59.98 58.51 3ky9 h ARG 5 Cb 1.00 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3ky9 h ARG 5 CO 0.05 0.53 -0.33 1.96 0.56 0.00 0.00 179.97 182.75 3ky9 h GLN 6 N 0.20 0.63 0.15 0.04 4.20 -1.26 -2.40 115.11 116.66 3ky9 h GLN 6 Ca 0.03 -0.37 0.02 0.00 0.06 0.00 0.00 58.65 58.38 3ky9 h GLN 6 Cb 0.67 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 3ky9 h GLN 6 CO 0.05 0.98 -0.29 0.00 -0.67 0.00 0.00 178.83 178.90 3ky9 h THR 8 N -0.52 0.00 -0.73 0.00 2.02 -1.24 0.46 112.91 112.89 3ky9 h THR 8 Ca 0.02 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.37 3ky9 h THR 8 Cb 0.54 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.82 3ky9 h THR 8 CO -0.15 0.00 0.03 -0.74 0.37 0.00 0.00 175.52 175.03 3ky9 h HIS 9 N -0.19 0.01 -0.50 3.16 6.17 -1.27 0.19 115.15 122.72 3ky9 h HIS 9 Ca 0.06 0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.16 3ky9 h HIS 9 Cb 0.34 0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.36 3ky9 h HIS 9 CO -0.76 -0.21 0.21 2.35 0.71 0.00 0.00 177.93 180.23 3ky9 h TRP 10 N 0.13 0.76 -0.20 5.26 7.01 0.41 -0.31 115.95 129.01 3ky9 h TRP 10 Ca 0.40 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.31 3ky9 h TRP 10 Cb 0.70 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.52 3ky9 h TRP 10 CO -0.39 0.63 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.78 3ky9 h LEU 11 N 0.67 0.28 -0.49 0.65 3.38 0.23 0.28 115.31 120.32 3ky9 h LEU 11 Ca 0.17 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3ky9 h LEU 11 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ky9 h LEU 11 CO -0.02 0.37 -0.31 0.40 0.09 0.00 0.00 178.44 178.98 3ky9 h ILE 12 N 0.30 1.27 0.00 1.22 2.04 -0.13 -1.79 117.51 120.42 3ky9 h ILE 12 Ca 0.07 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.40 3ky9 h ILE 12 Cb 0.27 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3ky9 h ILE 12 CO 0.01 0.50 -0.25 1.56 0.00 0.00 0.00 178.15 179.97 3ky9 h GLN 13 N 0.77 0.00 -0.13 2.37 1.08 0.15 -1.33 115.11 118.03 3ky9 h GLN 13 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3ky9 h GLN 13 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 3ky9 h GLN 13 CO 0.08 0.25 0.00 0.00 -0.95 0.00 0.00 178.83 178.21 3ky9 n ARG 15 N -0.13 -1.33 -0.03 0.00 1.74 -0.50 -4.87 116.66 111.54 3ky9 n ARG 15 Ca 0.04 1.08 -0.10 0.00 -0.77 0.00 0.00 57.85 58.11 3ky9 n ARG 15 Cb 0.11 -5.43 -0.14 0.00 -1.02 0.00 0.00 32.46 25.98 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 -2.89 1.61 -4.45 1.55 0.31 -0.69 -4.78 118.33 108.98 3ky9 n VAL 16 Ca -0.19 -0.79 -0.33 0.00 -0.01 0.00 0.00 64.34 63.02 3ky9 n VAL 16 Cb 0.62 -1.05 -0.16 0.00 -0.91 0.00 0.00 33.84 32.34 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 -6.12 2.15 0.16 7.52 2.96 -1.22 -4.63 118.68 119.50 3ky9 s LEU 17 Ca -0.07 -0.61 -0.31 0.00 -0.22 0.00 0.00 54.13 52.92 3ky9 s LEU 17 Cb 0.08 -1.47 -0.11 0.00 0.50 0.00 0.00 46.19 45.19 3ky9 s LEU 17 CO 0.82 0.05 1.69 -2.84 -1.32 0.00 0.00 176.35 174.75 3ky9 s PRO 18 N 1.00 4.16 0.00 0.98 0.02 -1.26 -4.60 135.00 135.30 3ky9 s PRO 18 Ca -0.02 2.50 0.02 0.00 0.02 0.00 0.00 61.00 63.51 3ky9 s PRO 18 Cb -0.15 -3.28 0.09 0.00 0.02 0.00 0.00 34.50 31.19 3ky9 s PRO 18 CO -0.06 -0.73 0.36 -0.35 -0.33 0.00 0.00 177.00 175.89 3ky9 n PRO 19 N 4.55 0.12 -0.23 5.54 -0.04 -1.26 -0.52 135.00 143.17 3ky9 n PRO 19 Ca 0.16 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.71 3ky9 n PRO 19 Cb 0.37 -1.20 0.18 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.70 3.00 -4.89 3.54 3.41 -1.26 -4.96 113.62 111.75 3ky9 n SER 20 Ca 0.01 -2.97 -0.30 0.00 -0.26 0.00 0.00 58.87 55.35 3ky9 n SER 20 Cb 0.01 -0.45 -0.04 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 -2.71 3.46 0.59 7.33 5.04 0.32 -4.95 115.29 124.38 3ky9 s HIS 21 Ca 0.35 0.80 0.29 0.00 -1.54 0.00 0.00 55.06 54.95 3ky9 s HIS 21 Cb 0.29 -2.23 1.54 0.00 0.04 0.00 0.00 32.58 32.22 3ky9 s HIS 21 CO 0.06 0.12 1.96 0.07 -2.34 0.00 0.00 174.74 174.61 3ky9 h ARG 22 N 1.75 0.00 0.00 2.88 0.11 -1.97 1.06 114.38 118.21 3ky9 h ARG 22 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 3ky9 h ARG 22 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 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 -3.71 0.00 -0.03 0.08 0.24 -1.26 -2.96 118.33 110.69 3ky9 n VAL 23 Ca 0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 3ky9 n VAL 23 Cb 0.54 -0.60 -0.14 0.00 -1.47 0.00 0.00 33.84 32.17 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 -1.00 1.60 -2.14 3.34 -1.04 0.37 -4.84 114.28 110.58 3ky9 n THR 24 Ca 0.19 -0.77 -0.36 0.00 -2.04 0.00 0.00 64.05 61.07 3ky9 n THR 24 Cb 0.09 -1.09 0.02 0.00 -1.82 0.00 0.00 70.33 67.53 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 -2.57 2.53 0.15 -1.42 0.51 -1.15 -4.93 118.94 112.06 3ky9 s TRP 25 Ca -0.10 1.53 -0.34 0.00 -2.12 0.00 0.00 56.10 55.07 3ky9 s TRP 25 Cb 0.07 -3.39 -0.14 0.00 -0.81 0.00 0.00 33.47 29.20 3ky9 s TRP 25 CO 0.81 -1.91 1.59 0.39 -0.51 0.00 0.00 176.95 177.32 3ky9 n GLU 26 N -1.41 2.16 0.00 4.98 -0.58 -1.26 -1.65 120.64 122.88 3ky9 n GLU 26 Ca 0.12 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.64 3ky9 n GLU 26 Cb 0.50 -2.55 0.00 0.00 -0.57 0.00 0.00 31.44 28.82 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 3.45 2.63 3.61 0.62 0.00 -1.26 -5.04 105.19 109.20 3ky9 n GLY 27 Ca 0.17 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.79 -1.93 -1.95 4.61 0.00 -0.66 -4.93 120.51 114.85 3ky9 n ALA 28 Ca 0.00 0.52 -0.29 0.00 0.00 0.00 0.00 53.44 53.67 3ky9 n ALA 28 Cb 0.00 -1.95 0.04 0.00 0.00 0.00 0.00 19.45 17.54 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 1.37 2.97 0.26 0.00 -1.52 -1.26 -4.98 119.66 116.50 3ky9 s GLN 29 Ca 0.94 0.36 -0.05 0.00 -1.95 0.00 0.00 55.36 54.65 3ky9 s GLN 29 Cb -1.22 -2.11 0.30 0.00 -0.22 0.00 0.00 33.01 29.77 3ky9 s GLN 29 CO 0.62 -0.87 1.91 0.28 -0.25 0.00 0.00 175.29 176.97 3ky9 h VAL 30 N -0.46 1.24 -0.25 1.09 2.07 -2.00 -2.89 116.25 115.05 3ky9 h VAL 30 Ca -0.45 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 66.61 3ky9 h VAL 30 Cb 1.25 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3ky9 h VAL 30 CO 0.63 0.26 0.19 0.00 0.02 0.00 0.00 177.57 178.66 3ky9 h GLU 32 N 0.00 0.42 0.10 0.00 5.08 -1.90 0.19 114.58 118.47 3ky9 h GLU 32 Ca 0.12 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ky9 h GLU 32 Cb 0.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3ky9 h GLU 32 CO -0.00 0.63 -0.05 1.25 -1.00 0.00 0.00 179.01 179.84 3ky9 h LEU 33 N 0.38 -0.11 -0.97 1.33 5.85 -1.20 -2.73 115.31 117.85 3ky9 h LEU 33 Ca 0.06 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3ky9 h LEU 33 Cb 0.61 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3ky9 h LEU 33 CO 0.04 0.20 0.55 0.00 -0.34 0.00 0.00 178.44 178.90 3ky9 h ALA 34 N 0.42 1.23 -0.73 1.25 0.00 -1.35 -1.37 119.26 118.70 3ky9 h ALA 34 Ca -0.01 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3ky9 h ALA 34 Cb 0.37 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3ky9 h ALA 34 CO 0.02 0.66 0.48 0.37 0.00 0.00 0.00 179.25 180.78 3ky9 h GLN 35 N 1.28 0.62 0.00 0.00 5.75 -0.62 -1.36 115.11 120.79 3ky9 h GLN 35 Ca 0.33 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 3ky9 h GLN 35 Cb -0.04 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.37 3ky9 h GLN 35 CO -0.06 0.41 -0.07 0.00 -2.65 0.00 0.00 178.83 176.46 3ky9 h ALA 36 N 1.63 0.96 0.00 3.38 0.00 -0.94 -3.28 119.26 121.01 3ky9 h ALA 36 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ky9 h ALA 36 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ky9 h ALA 36 CO -0.12 0.00 -1.22 1.28 0.00 0.00 0.00 179.25 179.19 3ky9 n LEU 37 N -2.81 0.57 0.22 0.00 4.77 -0.87 -4.67 117.00 114.21 3ky9 n LEU 37 Ca 0.04 -0.33 0.10 0.00 -0.03 0.00 0.00 56.01 55.79 3ky9 n LEU 37 Cb 0.50 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 42.08 3ky9 n LEU 37 CO 0.33 0.14 0.81 0.08 -1.33 0.00 0.00 177.39 177.43 3ky9 h ARG 38 N 0.00 0.00 -5.91 3.23 0.11 -1.33 -3.34 114.38 107.15 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 0.59 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.60 3ky9 h ARG 38 CO 0.00 0.23 0.09 0.16 0.10 0.00 0.00 179.97 180.56 3ky9 s ASP 39 N -6.24 6.88 0.00 0.08 1.47 -1.26 -4.63 116.67 112.97 3ky9 s ASP 39 Ca -0.00 1.06 0.00 0.00 1.18 0.00 0.00 52.55 54.79 3ky9 s ASP 39 Cb 0.11 -2.39 0.00 0.00 -0.34 0.00 0.00 42.92 40.31 3ky9 s ASP 39 CO 0.64 -0.16 0.45 0.61 0.68 0.00 0.00 175.17 177.38 3ky9 n GLY 40 N 3.31 0.43 0.48 2.12 0.00 -1.25 -4.12 105.19 106.16 3ky9 n GLY 40 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.03 -0.94 1.61 2.07 -1.88 -1.32 116.25 115.82 3ky9 h VAL 41 Ca 0.00 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.53 3ky9 h VAL 41 Cb 0.22 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 29.95 3ky9 h VAL 41 CO 0.00 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.13 3ky9 h LEU 42 N -1.30 0.86 -0.78 2.57 3.38 -1.83 -1.37 115.31 116.84 3ky9 h LEU 42 Ca -0.12 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ky9 h LEU 42 Cb 0.93 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3ky9 h LEU 42 CO 0.20 0.49 0.51 -0.07 0.09 0.00 0.00 178.44 179.67 3ky9 h LEU 43 N 0.94 0.89 -0.50 1.67 3.38 -1.81 0.48 115.31 120.37 3ky9 h LEU 43 Ca 0.44 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.34 3ky9 h LEU 43 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ky9 h LEU 43 CO -0.21 0.64 0.11 0.00 0.09 0.00 0.00 178.44 179.07 3ky9 h GLN 45 N 0.70 0.66 -0.55 0.00 5.75 -0.75 -2.80 115.11 118.11 3ky9 h GLN 45 Ca 0.16 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.67 3ky9 h GLN 45 Cb 0.36 -0.14 -0.10 0.00 1.07 0.00 0.00 27.48 28.67 3ky9 h GLN 45 CO 0.01 0.48 -0.45 1.25 -2.65 0.00 0.00 178.83 177.47 3ky9 h LEU 46 N 0.64 -1.55 -0.60 -2.39 5.85 0.16 0.39 115.31 117.82 3ky9 h LEU 46 Ca 0.17 0.24 0.12 0.00 0.84 0.00 0.00 57.88 59.26 3ky9 h LEU 46 Cb -0.00 0.69 -0.09 0.00 0.37 0.00 0.00 40.66 41.62 3ky9 h LEU 46 CO -0.03 -0.35 0.07 -0.07 -0.34 0.00 0.00 178.44 177.72 3ky9 h LEU 47 N -0.25 -0.13 -1.38 2.25 3.38 -1.24 -1.71 115.31 116.22 3ky9 h LEU 47 Ca 0.16 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 3ky9 h LEU 47 Cb 0.57 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3ky9 h LEU 47 CO -0.67 -0.05 -0.02 0.78 0.09 0.00 0.00 178.44 178.57 3ky9 h ASN 48 N 0.18 0.35 0.72 -0.43 2.35 -0.76 0.87 115.58 118.87 3ky9 h ASN 48 Ca 0.32 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3ky9 h ASN 48 Cb 0.50 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3ky9 h ASN 48 CO -0.46 0.43 0.00 0.78 -1.65 0.00 0.00 177.43 176.53 3ky9 h ASN 49 N 0.37 0.00 0.00 5.81 2.35 -0.11 -2.81 115.58 121.19 3ky9 h ASN 49 Ca 0.08 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.38 3ky9 h ASN 49 Cb 0.28 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.58 3ky9 h ASN 49 CO 0.01 0.00 -2.48 0.18 -1.65 0.00 0.00 177.43 173.48 3ky9 n LEU 50 N -2.80 2.07 -4.02 1.61 4.77 -0.72 -4.78 117.00 113.13 3ky9 n LEU 50 Ca 0.00 0.29 -0.32 0.00 -0.03 0.00 0.00 56.01 55.95 3ky9 n LEU 50 Cb 0.23 -0.84 -0.13 0.00 -2.33 0.00 0.00 43.42 40.35 3ky9 n LEU 50 CO 0.23 0.61 -0.20 -0.22 -1.33 0.00 0.00 177.39 176.47 3ky9 s LEU 51 N -7.42 4.72 0.15 2.23 0.20 0.22 -4.94 118.68 113.85 3ky9 s LEU 51 Ca -0.38 -2.56 -0.34 0.00 0.69 0.00 0.00 54.13 51.54 3ky9 s LEU 51 Cb 0.14 -1.69 -0.16 0.00 -0.43 0.00 0.00 46.19 44.05 3ky9 s LEU 51 CO 0.51 -0.34 1.24 -0.81 -0.29 0.00 0.00 176.35 176.65 3ky9 n PRO 52 N 3.76 1.21 -1.33 0.98 -0.04 -1.06 -1.05 135.00 137.46 3ky9 n PRO 52 Ca 0.04 0.43 -0.09 0.00 -0.04 0.00 0.00 63.50 63.84 3ky9 n PRO 52 Cb 0.38 -1.99 -0.04 0.00 -0.04 0.00 0.00 33.50 31.81 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 1.88 -0.03 -0.14 0.54 8.25 -1.26 -4.93 115.22 119.52 3ky9 n HIS 53 Ca 0.16 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.64 3ky9 n HIS 53 Cb 0.23 -1.82 0.30 0.00 1.12 0.00 0.00 29.99 29.83 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 0.03 1.53 -3.41 -1.41 0.00 -1.39 -3.41 119.26 111.20 3ky9 h ALA 54 Ca -0.19 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.32 3ky9 h ALA 54 Cb 0.63 -0.25 -0.36 0.00 0.00 0.00 0.00 17.79 17.80 3ky9 h ALA 54 CO 0.27 0.43 -0.74 0.42 0.00 0.00 0.00 179.25 179.62 3ky9 s ILE 55 N -5.70 0.01 0.10 0.00 1.01 -1.26 -5.00 121.20 110.35 3ky9 s ILE 55 Ca -0.10 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 3ky9 s ILE 55 Cb 0.18 -0.19 -0.06 0.00 0.01 0.00 0.00 42.46 42.40 3ky9 s ILE 55 CO 0.77 0.15 1.03 0.21 0.00 0.00 0.00 174.94 177.09 3ky9 s ASN 56 N 1.58 7.37 0.51 3.58 2.47 -1.26 -4.94 114.94 124.25 3ky9 s ASN 56 Ca -0.02 1.86 0.22 0.00 0.42 0.00 0.00 52.86 55.33 3ky9 s ASN 56 Cb -0.13 -2.59 1.31 0.00 -1.45 0.00 0.00 41.25 38.40 3ky9 s ASN 56 CO -0.03 -0.19 2.01 -0.07 -3.72 0.00 0.00 177.10 175.10 3ky9 h LEU 57 N 5.88 0.07 0.00 3.21 3.38 -1.99 0.19 115.31 126.05 3ky9 h LEU 57 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3ky9 h LEU 57 Cb 1.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3ky9 h LEU 57 CO 0.74 0.04 0.00 0.54 0.09 0.00 0.00 178.44 179.85 3ky9 n ARG 58 N -4.42 0.13 0.00 1.13 1.74 -1.26 -0.28 116.66 113.69 3ky9 n ARG 58 Ca 0.08 0.20 0.08 0.00 -0.77 0.00 0.00 57.85 57.44 3ky9 n ARG 58 Cb 0.50 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.27 1.55 -4.47 5.56 1.02 0.68 -4.93 120.64 118.78 3ky9 n GLU 59 Ca 0.04 -1.07 -0.34 0.00 -0.02 0.00 0.00 57.16 55.76 3ky9 n GLU 59 Cb 0.06 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.70 3.98 -0.78 2.62 1.01 0.61 -4.84 120.40 121.30 3ky9 s VAL 60 Ca 0.16 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 3ky9 s VAL 60 Cb 0.13 -2.68 0.13 0.00 0.00 0.00 0.00 36.38 33.97 3ky9 s VAL 60 CO 0.33 0.57 0.93 0.20 0.00 0.00 0.00 175.10 177.13 3ky9 s ASN 61 N -0.50 6.46 0.51 3.32 -0.87 -1.26 -4.92 114.94 117.67 3ky9 s ASN 61 Ca 0.08 -1.83 0.27 0.00 -1.57 0.00 0.00 52.86 49.81 3ky9 s ASN 61 Cb -0.12 -2.34 1.34 0.00 -0.02 0.00 0.00 41.25 40.11 3ky9 s ASN 61 CO 0.02 -1.05 2.02 -0.07 -2.57 0.00 0.00 177.10 175.44 3ky9 h LEU 62 N 10.00 0.00 -6.11 0.60 3.38 -1.95 -3.28 115.31 117.95 3ky9 h LEU 62 Ca -0.04 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.36 3ky9 h LEU 62 Cb 1.05 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.40 3ky9 h LEU 62 CO 1.06 0.14 -0.97 0.54 0.09 0.00 0.00 178.44 179.30 3ky9 n ARG 63 N -3.54 1.06 -0.45 1.13 5.12 -1.26 -4.99 116.66 113.74 3ky9 n ARG 63 Ca -0.01 -3.55 0.07 0.00 -1.93 0.00 0.00 57.85 52.43 3ky9 n ARG 63 Cb 0.28 -1.51 0.27 0.00 -1.16 0.00 0.00 32.46 30.35 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 1.46 3.01 0.22 5.56 -0.04 -1.24 -4.63 135.00 139.34 3ky9 n PRO 64 Ca 0.24 -2.15 0.07 0.00 -0.04 0.00 0.00 63.50 61.62 3ky9 n PRO 64 Cb 0.49 -1.72 0.53 0.00 -0.04 0.00 0.00 33.50 32.77 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 3.13 0.00 -0.05 0.54 3.07 -1.94 0.13 115.11 119.99 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 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 3ky9 h GLN 65 CO 0.16 0.23 0.00 -1.33 0.09 0.00 0.00 178.83 177.98 3ky9 n MET 66 N -3.92 1.08 -3.51 0.06 2.81 -1.26 -4.81 117.12 107.56 3ky9 n MET 66 Ca -0.02 -0.12 -0.20 0.00 -1.81 0.00 0.00 57.70 55.55 3ky9 n MET 66 Cb 0.31 -1.04 -0.14 0.00 -0.71 0.00 0.00 33.22 31.65 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 -0.98 1.64 0.45 7.83 0.15 0.47 -2.11 113.70 121.15 3ky9 s SER 67 Ca 0.02 -0.36 0.12 0.00 0.70 0.00 0.00 55.95 56.44 3ky9 s SER 67 Cb 0.01 0.25 1.03 0.00 -1.71 0.00 0.00 66.02 65.60 3ky9 s SER 67 CO 0.01 -0.34 2.05 -0.61 1.20 0.00 0.00 173.24 175.56 3ky9 h GLN 68 N 8.33 0.16 -0.27 5.44 4.15 -1.62 -2.36 115.11 128.94 3ky9 h GLN 68 Ca -0.17 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.20 3ky9 h GLN 68 Cb 1.14 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 3ky9 h GLN 68 CO 0.29 0.19 0.04 0.35 -1.93 0.00 0.00 178.83 177.78 3ky9 h PHE 69 N 0.16 0.48 0.00 3.99 3.57 -1.92 -1.67 116.94 121.55 3ky9 h PHE 69 Ca 0.04 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 3ky9 h PHE 69 Cb 0.13 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3ky9 h PHE 69 CO 0.00 0.56 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.99 3ky9 h LEU 70 N 0.27 0.00 -0.14 0.59 3.38 -1.78 -2.10 115.31 115.51 3ky9 h LEU 70 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ky9 h LEU 70 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3ky9 h LEU 70 CO 0.01 0.58 -0.06 0.00 0.09 0.00 0.00 178.44 179.05 3ky9 h LEU 72 N -0.04 0.84 -1.29 0.00 3.38 -1.17 -1.58 115.31 115.45 3ky9 h LEU 72 Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3ky9 h LEU 72 Cb 0.51 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3ky9 h LEU 72 CO 0.02 0.60 0.24 0.11 0.09 0.00 0.00 178.44 179.50 3ky9 h LYS 73 N 1.00 0.73 -0.28 1.13 1.57 -1.42 -0.43 116.57 118.87 3ky9 h LYS 73 Ca 0.29 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3ky9 h LYS 73 Cb -0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3ky9 h LYS 73 CO -0.08 0.57 0.05 -0.91 -0.57 0.00 0.00 179.45 178.52 3ky9 h ASN 74 N 0.73 0.44 -0.81 0.86 2.35 -1.12 -0.31 115.58 117.72 3ky9 h ASN 74 Ca 0.18 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 3ky9 h ASN 74 Cb 0.09 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 3ky9 h ASN 74 CO -0.02 0.58 0.37 0.40 -1.65 0.00 0.00 177.43 177.11 3ky9 h ILE 75 N 0.28 1.26 -0.49 2.81 2.04 -0.89 0.62 117.51 123.13 3ky9 h ILE 75 Ca 0.09 -0.74 -0.11 0.00 1.00 0.00 0.00 64.86 65.09 3ky9 h ILE 75 Cb 0.33 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3ky9 h ILE 75 CO 0.00 0.31 -0.14 0.03 0.00 0.00 0.00 178.15 178.36 3ky9 h ARG 76 N 1.15 0.93 -0.82 2.37 2.47 -1.01 0.11 114.38 119.59 3ky9 h ARG 76 Ca 0.28 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 3ky9 h ARG 76 Cb 0.15 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.37 3ky9 h ARG 76 CO -0.03 1.00 0.46 1.15 0.56 0.00 0.00 179.97 183.12 3ky9 h THR 77 N 0.82 1.24 0.72 2.04 2.02 -0.78 0.71 112.91 119.68 3ky9 h THR 77 Ca 0.13 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 3ky9 h THR 77 Cb 0.68 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3ky9 h THR 77 CO 0.05 0.26 -0.34 0.15 0.37 0.00 0.00 175.52 176.01 3ky9 h PHE 78 N 1.14 -0.89 -0.65 3.16 3.04 -0.36 -1.67 116.94 120.70 3ky9 h PHE 78 Ca 0.29 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.35 3ky9 h PHE 78 Cb 0.01 0.30 -0.10 0.00 2.56 0.00 0.00 35.95 38.72 3ky9 h PHE 78 CO 0.00 -0.56 0.12 -0.07 -2.02 0.00 0.00 178.31 175.79 3ky9 h LEU 79 N -1.06 -0.04 0.12 0.59 3.38 -0.77 0.53 115.31 118.05 3ky9 h LEU 79 Ca -0.10 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ky9 h LEU 79 Cb 0.74 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3ky9 h LEU 79 CO 0.16 -0.03 -0.06 -1.28 0.09 0.00 0.00 178.44 177.33 3ky9 h SER 80 N 0.24 -0.13 0.77 -0.43 0.87 -0.86 -1.74 113.55 112.27 3ky9 h SER 80 Ca 0.35 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 3ky9 h SER 80 Cb 0.56 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 3ky9 h SER 80 CO -0.46 0.13 -0.10 0.71 -0.53 0.00 0.00 176.83 176.58 3ky9 h THR 81 N -0.40 0.29 0.00 2.23 1.35 -1.20 -0.65 112.91 114.54 3ky9 h THR 81 Ca -0.02 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 65.15 3ky9 h THR 81 Cb 0.33 1.51 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3ky9 h THR 81 CO 0.03 0.09 -0.11 0.00 -0.25 0.00 0.00 175.52 175.28 3ky9 h GLU 84 N 0.00 0.00 -0.00 0.00 5.08 -0.99 -3.23 114.58 115.44 3ky9 h GLU 84 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3ky9 h GLU 84 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 3ky9 h GLU 84 CO 0.00 0.59 -0.03 1.63 -1.00 0.00 0.00 179.01 180.19 3ky9 n LYS 85 N -3.42 1.18 0.00 2.33 5.02 0.43 -4.74 118.16 118.96 3ky9 n LYS 85 Ca 0.00 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 3ky9 n LYS 85 Cb 0.69 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 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 -0.15 0.00 0.00 2.13 3.72 -1.23 -5.03 117.46 116.90 3ky9 n PHE 86 Ca 0.01 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3ky9 n PHE 86 Cb 0.07 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.14 2.39 1.27 1.37 0.00 -1.22 -4.90 105.19 103.96 3ky9 n GLY 87 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.33 -4.87 0.99 4.32 -1.26 -4.92 117.00 110.93 3ky9 n LEU 88 Ca 0.00 0.42 -0.31 0.00 -0.02 0.00 0.00 56.01 56.10 3ky9 n LEU 88 Cb 0.00 -0.35 -0.05 0.00 -1.62 0.00 0.00 43.42 41.40 3ky9 n LEU 88 CO 0.00 -0.99 0.29 -0.54 -1.22 0.00 0.00 177.39 174.92 3ky9 s LYS 89 N -0.26 3.81 0.00 3.23 1.02 -1.26 -4.51 119.74 121.77 3ky9 s LYS 89 Ca 0.27 0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.60 3ky9 s LYS 89 Cb -0.38 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 3ky9 s LYS 89 CO 0.21 0.22 0.88 0.54 -0.92 0.00 0.00 175.35 176.28 3ky9 n ARG 90 N -0.46 0.00 -0.29 1.68 1.74 -1.26 0.02 116.66 118.09 3ky9 n ARG 90 Ca 0.01 0.38 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 3ky9 n ARG 90 Cb 0.53 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.38 3.74 0.00 0.55 3.41 -1.26 -3.96 113.62 114.73 3ky9 n SER 91 Ca 0.00 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 3ky9 n SER 91 Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.56 2.91 -5.20 4.33 2.13 0.10 -5.00 120.64 121.48 3ky9 n GLU 92 Ca 0.22 -0.16 -0.32 0.00 0.66 0.00 0.00 57.16 57.56 3ky9 n GLU 92 Cb 0.61 -0.60 -0.16 0.00 0.27 0.00 0.00 31.44 31.57 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 -0.92 2.18 1.12 4.31 0.05 -1.16 -4.01 118.68 120.25 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 -1.40 0.25 0.00 -2.05 0.00 0.00 46.19 42.98 3ky9 s LEU 93 CO 0.00 0.26 1.07 0.72 -0.55 0.00 0.00 176.35 177.85 3ky9 s PHE 94 N -0.26 1.40 -0.04 3.48 -0.12 -1.26 -4.94 117.98 116.24 3ky9 s PHE 94 Ca -0.01 0.88 -0.03 0.00 -0.05 0.00 0.00 56.93 57.72 3ky9 s PHE 94 Cb -0.13 -3.24 -0.04 0.00 -0.63 0.00 0.00 43.02 38.98 3ky9 s PHE 94 CO 0.03 -3.51 0.13 -2.00 -0.05 0.00 0.00 175.22 169.81 3ky9 s GLU 95 N -4.95 3.29 0.21 1.99 2.12 -1.26 -5.02 118.70 115.08 3ky9 s GLU 95 Ca 0.67 -0.34 -0.18 0.00 0.36 0.00 0.00 54.97 55.49 3ky9 s GLU 95 Cb -0.18 -3.02 0.20 0.00 0.26 0.00 0.00 34.13 31.39 3ky9 s GLU 95 CO 0.59 0.69 1.46 0.00 -0.54 0.00 0.00 175.26 177.46 3ky9 n ALA 96 N 1.34 -0.16 0.41 6.30 0.00 -1.26 0.11 120.51 127.25 3ky9 n ALA 96 Ca -0.14 0.93 0.10 0.00 0.00 0.00 0.00 53.44 54.32 3ky9 n ALA 96 Cb 0.53 -0.39 0.41 0.00 0.00 0.00 0.00 19.45 20.00 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 -5.37 0.47 0.28 0.00 3.72 -1.26 -0.40 117.46 114.90 3ky9 n PHE 97 Ca 0.09 0.19 0.15 0.00 -0.05 0.00 0.00 57.45 57.83 3ky9 n PHE 97 Cb 0.37 -0.80 0.82 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.38 -2.23 116.42 122.26 3ky9 h ASP 98 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 3ky9 h ASP 98 Cb 0.29 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3ky9 h ASP 98 CO 0.00 0.07 -1.66 -0.11 -1.72 0.00 0.00 179.24 175.82 3ky9 n LEU 99 N -3.57 1.87 0.14 1.55 7.94 0.46 -2.79 117.00 122.62 3ky9 n LEU 99 Ca -0.02 0.32 -0.00 0.00 -1.11 0.00 0.00 56.01 55.20 3ky9 n LEU 99 Cb 0.19 -0.74 0.24 0.00 0.53 0.00 0.00 43.42 43.64 3ky9 n LEU 99 CO 0.28 0.10 0.60 0.15 -1.11 0.00 0.00 177.39 177.41 3ky9 h PHE 100 N -0.94 0.07 -0.19 1.96 3.04 -1.22 -2.34 116.94 117.32 3ky9 h PHE 100 Ca -0.31 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.57 3ky9 h PHE 100 Cb 1.25 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.72 3ky9 h PHE 100 CO -0.26 0.54 -0.06 -3.47 -2.02 0.00 0.00 178.31 173.05 3ky9 n ASP 101 N -3.95 2.97 -4.27 0.41 2.03 -0.89 -4.99 116.55 107.87 3ky9 n ASP 101 Ca -0.02 -3.28 -0.37 0.00 0.52 0.00 0.00 54.79 51.65 3ky9 n ASP 101 Cb 0.52 -0.53 -0.08 0.00 -0.72 0.00 0.00 41.12 40.31 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 -0.23 0.98 5.18 0.24 -0.88 -4.80 118.33 117.86 3ky9 n VAL 102 Ca 0.22 -0.11 0.10 0.00 -2.04 0.00 0.00 64.34 62.51 3ky9 n VAL 102 Cb 0.84 -0.57 0.53 0.00 -1.47 0.00 0.00 33.84 33.17 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 -3.90 0.27 0.00 7.34 6.02 -0.94 -4.31 117.38 121.87 3ky9 n GLN 103 Ca 0.01 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3ky9 n GLN 103 Cb 0.47 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.31 0.00 0.28 1.08 -0.08 -1.12 -4.92 116.55 110.48 3ky9 n ASP 104 Ca 0.10 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.51 3ky9 n ASP 104 Cb 0.18 0.00 0.84 0.00 2.34 0.00 0.00 41.12 44.48 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 -0.87 -0.67 3.57 -1.74 -1.12 116.94 116.11 3ky9 h PHE 105 Ca 0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 3ky9 h PHE 105 Cb 0.00 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 3ky9 h PHE 105 CO 0.00 0.05 0.56 0.78 -2.23 0.00 0.00 178.31 177.47 3ky9 h GLY 106 N 0.30 1.23 2.00 2.40 0.00 -1.95 -1.25 103.07 105.80 3ky9 h GLY 106 Ca -0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3ky9 h GLY 106 CO 0.01 0.20 -0.68 1.70 0.00 0.00 0.00 176.54 177.77 3ky9 h LYS 107 N 0.85 0.00 -0.50 4.80 1.63 -1.58 -2.71 116.57 119.06 3ky9 h LYS 107 Ca 0.40 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.18 3ky9 h LYS 107 Cb 0.42 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 3ky9 h LYS 107 CO -0.17 0.68 0.22 0.28 -3.45 0.00 0.00 179.45 177.00 3ky9 h VAL 108 N 0.00 1.21 -0.27 2.00 2.07 -1.25 -2.06 116.25 117.96 3ky9 h VAL 108 Ca -0.01 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 3ky9 h VAL 108 Cb 1.40 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3ky9 h VAL 108 CO 0.09 0.24 -0.07 0.40 0.02 0.00 0.00 177.57 178.24 3ky9 h ILE 109 N 0.67 1.20 0.03 4.57 2.04 -1.23 -2.76 117.51 122.04 3ky9 h ILE 109 Ca 0.17 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3ky9 h ILE 109 Cb 0.17 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3ky9 h ILE 109 CO -0.02 0.28 -0.01 0.22 0.00 0.00 0.00 178.15 178.62 3ky9 h TYR 110 N 0.40 -0.03 -0.74 1.37 5.03 -1.24 -1.59 116.97 120.17 3ky9 h TYR 110 Ca 0.08 -0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.56 3ky9 h TYR 110 Cb 0.39 0.01 -0.12 0.00 1.55 0.00 0.00 36.73 38.56 3ky9 h TYR 110 CO 0.01 0.13 0.11 1.15 -1.32 0.00 0.00 178.16 178.25 3ky9 h THR 111 N -0.20 0.44 -0.03 1.81 2.02 -1.14 0.14 112.91 115.95 3ky9 h THR 111 Ca -0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3ky9 h THR 111 Cb 0.18 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3ky9 h THR 111 CO 0.01 0.04 -0.01 -0.07 0.37 0.00 0.00 175.52 175.85 3ky9 h LEU 112 N 0.20 0.07 -0.61 2.58 3.38 -1.35 0.36 115.31 119.94 3ky9 h LEU 112 Ca 0.42 -0.39 0.12 0.00 0.09 0.00 0.00 57.88 58.12 3ky9 h LEU 112 Cb 0.73 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 3ky9 h LEU 112 CO -0.57 0.45 -0.11 -1.28 0.09 0.00 0.00 178.44 177.02 3ky9 h SER 113 N -0.31 -0.49 -0.57 -0.43 0.87 -0.81 0.45 113.55 112.25 3ky9 h SER 113 Ca 0.01 0.17 0.12 0.00 -1.23 0.00 0.00 61.79 60.86 3ky9 h SER 113 Cb 0.42 0.35 -0.10 0.00 -0.44 0.00 0.00 62.40 62.63 3ky9 h SER 113 CO 0.00 -0.18 0.01 0.00 -0.53 0.00 0.00 176.83 176.13 3ky9 h ALA 114 N 1.59 0.56 -0.96 6.23 0.00 -0.49 -1.46 119.26 124.73 3ky9 h ALA 114 Ca 0.30 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.41 3ky9 h ALA 114 Cb 0.47 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3ky9 h ALA 114 CO -0.60 -0.38 0.63 1.25 0.00 0.00 0.00 179.25 180.15 3ky9 h LEU 115 N 0.13 1.06 -1.86 0.00 5.85 0.18 -1.80 115.31 118.87 3ky9 h LEU 115 Ca 0.30 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 3ky9 h LEU 115 Cb 0.47 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3ky9 h LEU 115 CO -0.48 0.74 -0.11 0.77 -0.34 0.00 0.00 178.44 179.02 3ky9 h SER 116 N 1.24 0.00 0.34 1.25 4.64 0.73 -2.41 113.55 119.34 3ky9 h SER 116 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3ky9 h SER 116 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3ky9 h SER 116 CO -0.11 0.11 -0.41 0.79 -0.87 0.00 0.00 176.83 176.34 3ky9 n TRP 117 N -4.20 0.00 -1.44 4.77 7.02 -0.71 -4.02 117.44 118.85 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 0.19 -0.17 0.03 0.00 -2.42 0.00 0.00 31.31 28.94 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 -1.07 1.96 0.67 -0.99 -1.04 -0.91 -4.79 114.28 108.11 3ky9 n THR 118 Ca 0.09 -0.50 0.02 0.00 -2.04 0.00 0.00 64.05 61.62 3ky9 n THR 118 Cb 0.35 -0.59 0.13 0.00 -1.82 0.00 0.00 70.33 68.40 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 0.17 0.33 -0.07 -2.82 -0.04 -1.26 -2.70 135.00 128.61 3ky9 n PRO 119 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 3ky9 n PRO 119 Cb 0.47 -1.21 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.71 0.74 0.08 0.52 5.41 -1.26 -3.76 119.36 120.38 3ky9 n ILE 120 Ca 0.03 -0.24 -0.12 0.00 1.00 0.00 0.00 62.75 63.42 3ky9 n ILE 120 Cb 0.02 -1.26 -0.05 0.00 -0.71 0.00 0.00 39.64 37.63 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 -0.20 -0.23 -0.00 -1.39 0.00 -1.72 -2.96 119.26 112.76 3ky9 h ALA 121 Ca -0.31 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 3ky9 h ALA 121 Cb 1.39 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 3ky9 h ALA 121 CO -0.11 -0.66 -0.76 0.37 0.00 0.00 0.00 179.25 178.08 3ky9 h GLN 122 N -0.28 0.02 0.00 0.00 4.15 -1.65 -2.62 115.11 114.73 3ky9 h GLN 122 Ca 0.03 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3ky9 h GLN 122 Cb 0.32 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3ky9 h GLN 122 CO -0.11 0.77 0.00 -1.71 -1.93 0.00 0.00 178.83 175.85 3ky9 n ASN 123 N -3.65 0.00 0.00 -0.69 5.15 -1.12 -1.43 115.26 113.52 3ky9 n ASN 123 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 3ky9 n ASN 123 Cb 0.74 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.99 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 -0.15 -0.06 0.00 1.20 0.63 -0.99 -4.99 116.66 112.31 3ky9 n ARG 124 Ca 0.00 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 3ky9 n ARG 124 Cb 0.00 -0.52 0.00 0.00 0.45 0.00 0.00 32.46 32.39 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 1.51 3.62 5.14 0.00 -0.52 -5.05 105.19 109.90 3ky9 n GLY 125 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.34 4.85 0.15 -0.61 1.01 -1.25 -5.02 121.20 118.00 3ky9 s ILE 126 Ca 0.00 1.17 -0.31 0.00 0.00 0.00 0.00 60.65 61.51 3ky9 s ILE 126 Cb 0.00 -4.08 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 3ky9 s ILE 126 CO 0.00 -0.16 1.63 -0.32 0.00 0.00 0.00 174.94 176.09 3ky9 s MET 127 N 2.81 4.19 1.24 2.79 -2.45 -1.26 -4.27 119.30 122.35 3ky9 s MET 127 Ca 0.30 2.41 -0.15 0.00 -1.25 0.00 0.00 55.69 57.01 3ky9 s MET 127 Cb -0.15 -3.27 0.31 0.00 1.25 0.00 0.00 34.83 32.98 3ky9 s MET 127 CO 0.11 -0.67 0.93 -2.30 1.05 0.00 0.00 175.02 174.14 3ky9 n PRO 128 N 4.43 -2.96 -2.58 4.11 -0.02 -1.26 -4.95 135.00 131.78 3ky9 n PRO 128 Ca 0.15 -0.84 -0.05 0.00 -2.02 0.00 0.00 63.50 60.73 3ky9 n PRO 128 Cb 0.38 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 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 -5.16 -0.32 -2.52 6.00 1.16 -1.26 -5.04 117.46 110.32 3ky9 n PHE 129 Ca 0.03 -0.78 -0.42 0.00 -1.87 0.00 0.00 57.45 54.41 3ky9 n PHE 129 Cb 0.55 0.10 -0.02 0.00 -1.61 0.00 0.00 39.48 38.49 3ky9 n PHE 129 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3ky9 s ASP 138 N -1.66 6.33 -0.36 5.98 1.11 -1.26 -4.67 116.67 122.14 3ky9 s ASP 138 Ca 0.11 0.14 -0.29 0.00 0.18 0.00 0.00 52.55 52.69 3ky9 s ASP 138 Cb 0.00 -2.55 -0.00 0.00 1.07 0.00 0.00 42.92 41.44 3ky9 s ASP 138 CO 0.08 -1.57 1.49 -1.83 1.18 0.00 0.00 175.17 174.51 3ky9 s GLU 139 N 5.17 3.60 0.00 8.23 -1.05 -1.26 -4.74 118.70 128.65 3ky9 s GLU 139 Ca 0.46 1.15 0.06 0.00 -0.15 0.00 0.00 54.97 56.48 3ky9 s GLU 139 Cb -0.09 -4.04 0.02 0.00 -0.44 0.00 0.00 34.13 29.59 3ky9 s GLU 139 CO 0.25 -1.53 0.58 -0.25 0.95 0.00 0.00 175.26 175.26 3ky9 n ASP 140 N 8.87 1.21 0.16 0.83 8.00 -1.26 -4.79 116.55 129.58 3ky9 n ASP 140 Ca 0.18 -1.10 -0.14 0.00 0.71 0.00 0.00 54.79 54.43 3ky9 n ASP 140 Cb 0.47 0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 41.71 3ky9 n ASP 140 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3ky9 h ILE 141 N 0.87 0.76 0.00 0.53 2.04 -2.03 -2.89 117.51 116.80 3ky9 h ILE 141 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3ky9 h ILE 141 Cb 0.21 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3ky9 h ILE 141 CO 0.00 0.01 0.00 -1.22 0.00 0.00 0.00 178.15 176.94 3ky9 n TYR 142 N -5.23 0.49 0.13 1.37 4.01 -1.26 -1.90 117.16 114.77 3ky9 n TYR 142 Ca -0.10 0.24 -0.13 0.00 -0.16 0.00 0.00 57.90 57.75 3ky9 n TYR 142 Cb 0.17 -0.88 -0.08 0.00 -0.31 0.00 0.00 39.34 38.24 3ky9 n TYR 142 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3ky9 h SER 143 N 0.00 -0.29 0.00 7.72 4.64 -1.87 -3.09 113.55 120.66 3ky9 h SER 143 Ca 0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3ky9 h SER 143 Cb 0.10 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3ky9 h SER 143 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3ky9 n GLY 144 N -0.21 -0.21 0.21 -0.77 0.00 -0.80 -3.92 105.19 99.49 3ky9 n GLY 144 Ca -0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.39 0.00 0.99 3.38 -1.64 -2.36 115.31 115.29 3ky9 h LEU 145 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ky9 h LEU 145 Cb 0.00 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ky9 h LEU 145 CO 0.00 -0.18 0.00 -0.24 0.09 0.00 0.00 178.44 178.11 3ky9 n SER 146 N -5.24 0.00 -0.08 -0.43 2.88 -1.25 -2.26 113.62 107.24 3ky9 n SER 146 Ca -0.10 -0.22 -0.14 0.00 -1.33 0.00 0.00 58.87 57.07 3ky9 n SER 146 Cb 0.23 -0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 3ky9 n SER 146 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3ky9 n ASP 147 N -1.01 1.82 -0.15 -3.46 8.00 -1.10 -4.64 116.55 116.01 3ky9 n ASP 147 Ca 0.06 0.08 0.09 0.00 0.71 0.00 0.00 54.79 55.73 3ky9 n ASP 147 Cb 0.03 -0.37 0.42 0.00 -0.02 0.00 0.00 41.12 41.17 3ky9 n ASP 147 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3ky9 h GLN 148 N -0.34 0.58 0.36 -1.24 4.20 -0.98 -3.19 115.11 114.51 3ky9 h GLN 148 Ca -0.38 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 3ky9 h GLN 148 Cb 1.42 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3ky9 h GLN 148 CO -0.17 0.39 -0.18 0.82 -0.67 0.00 0.00 178.83 179.02 3ky9 h ILE 149 N 0.60 0.00 0.00 2.54 2.04 -1.80 -3.51 117.51 117.38 3ky9 h ILE 149 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 3ky9 h ILE 149 Cb 0.42 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3ky9 h ILE 149 CO -0.10 0.00 0.25 0.47 0.00 0.00 0.00 178.15 178.77 3ky9 n ASP 150 N -3.35 -0.50 0.00 1.72 8.00 -1.21 -5.14 116.55 116.06 3ky9 n ASP 150 Ca -0.06 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.18 3ky9 n ASP 150 Cb 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.74 0.00 0.08 -2.24 5.68 -1.26 -4.95 116.55 115.59 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 0.13 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.99 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 0.60 -0.62 0.11 4.39 -2.07 -3.19 114.58 113.80 3ky9 h GLU 157 Ca 0.00 -0.75 0.12 0.00 0.34 0.00 0.00 59.36 59.08 3ky9 h GLU 157 Cb 0.00 0.24 -0.12 0.00 -0.10 0.00 0.00 28.75 28.77 3ky9 h GLU 157 CO 0.00 1.33 -0.16 0.22 -1.16 0.00 0.00 179.01 179.23 3ky9 h ASP 158 N 0.29 -0.60 -0.69 1.42 3.58 -2.03 -3.25 116.42 115.14 3ky9 h ASP 158 Ca -0.16 0.19 0.14 0.00 0.42 0.00 0.00 57.03 57.62 3ky9 h ASP 158 Cb 1.83 0.39 -0.10 0.00 1.72 0.00 0.00 39.33 43.18 3ky9 h ASP 158 CO 0.22 -0.21 0.19 0.25 -2.88 0.00 0.00 179.24 176.81 3ky9 h LEU 159 N -0.01 0.07 -2.67 2.28 5.85 -2.00 -1.87 115.31 116.96 3ky9 h LEU 159 Ca 0.30 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.14 3ky9 h LEU 159 Cb 0.46 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3ky9 h LEU 159 CO -0.64 0.01 0.00 -1.22 -0.34 0.00 0.00 178.44 176.25 3ky9 n TYR 160 N -5.11 1.25 -0.19 1.25 4.01 -1.23 -4.38 117.16 112.76 3ky9 n TYR 160 Ca 0.12 -0.50 0.19 0.00 -0.16 0.00 0.00 57.90 57.55 3ky9 n TYR 160 Cb 0.40 -0.20 0.54 0.00 -0.31 0.00 0.00 39.34 39.77 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 3.49 0.33 -0.50 7.72 3.32 -1.46 -0.78 116.42 128.55 3ky9 h ASP 161 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ky9 h ASP 161 Cb 1.25 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3ky9 h ASP 161 CO 0.19 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 3ky9 s VAL 163 N -1.96 5.11 -0.06 0.00 -7.23 -0.30 -4.84 120.40 111.12 3ky9 s VAL 163 Ca 0.41 -0.07 -0.30 0.00 -1.81 0.00 0.00 61.98 60.22 3ky9 s VAL 163 Cb 0.28 -3.27 -0.06 0.00 0.56 0.00 0.00 36.38 33.89 3ky9 s VAL 163 CO 0.18 0.51 1.81 -0.70 -0.31 0.00 0.00 175.10 176.59 3ky9 s GLU 164 N -1.31 4.02 0.69 4.82 2.12 -1.26 -4.96 118.70 122.82 3ky9 s GLU 164 Ca 0.18 2.26 -0.13 0.00 0.36 0.00 0.00 54.97 57.65 3ky9 s GLU 164 Cb -0.12 -4.09 0.01 0.00 0.26 0.00 0.00 34.13 30.19 3ky9 s GLU 164 CO 0.08 -1.05 1.09 0.54 -0.54 0.00 0.00 175.26 175.37 3ky9 s ASN 165 N 4.29 5.10 0.62 -1.70 2.20 -1.26 -4.91 114.94 119.28 3ky9 s ASN 165 Ca 0.81 1.85 0.34 0.00 -0.94 0.00 0.00 52.86 54.92 3ky9 s ASN 165 Cb -0.36 -2.53 1.94 0.00 -2.00 0.00 0.00 41.25 38.30 3ky9 s ASN 165 CO 0.34 -1.63 2.22 1.05 -2.94 0.00 0.00 177.10 176.15 3ky9 h GLU 166 N -0.35 0.00 -0.60 3.55 4.11 -2.00 -2.88 114.58 116.41 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 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3ky9 h GLU 166 CO 0.54 0.00 0.00 -0.85 0.07 0.00 0.00 179.01 178.77 3ky9 n GLU 167 N -3.56 2.88 -0.12 1.06 0.28 -1.26 -4.52 120.64 115.40 3ky9 n GLU 167 Ca -0.02 -2.50 -0.13 0.00 -0.16 0.00 0.00 57.16 54.35 3ky9 n GLU 167 Cb 0.17 -1.51 -0.03 0.00 1.43 0.00 0.00 31.44 31.50 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 3.52 0.54 -0.37 -1.84 0.00 -1.89 -0.42 119.26 118.80 3ky9 h ALA 168 Ca 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 54.91 54.55 3ky9 h ALA 168 Cb 0.96 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 3ky9 h ALA 168 CO 0.03 0.63 -0.18 1.49 0.00 0.00 0.00 179.25 181.22 3ky9 h GLU 169 N 0.71 -0.11 -0.15 0.00 4.81 -1.83 -1.88 114.58 116.13 3ky9 h GLU 169 Ca 0.06 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 3ky9 h GLU 169 Cb 0.96 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3ky9 h GLU 169 CO 0.09 -0.07 -0.50 0.78 -0.73 0.00 0.00 179.01 178.58 3ky9 h GLY 170 N -0.11 0.43 2.00 1.92 0.00 -1.86 -3.11 103.07 102.34 3ky9 h GLY 170 Ca 0.19 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3ky9 h GLY 170 CO -0.45 0.42 -0.05 -1.80 0.00 0.00 0.00 176.54 174.67 3ky9 h ASP 171 N 0.31 0.00 0.12 0.19 1.82 -0.29 -1.17 116.42 117.40 3ky9 h ASP 171 Ca 0.01 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.35 3ky9 h ASP 171 Cb 0.99 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.99 3ky9 h ASP 171 CO 0.09 0.05 -1.60 1.05 -1.61 0.00 0.00 179.24 177.21 3ky9 h GLU 172 N 0.00 0.24 -0.85 0.28 4.11 -1.35 -2.41 114.58 114.61 3ky9 h GLU 172 Ca -0.00 -0.42 0.21 0.00 0.07 0.00 0.00 59.36 59.22 3ky9 h GLU 172 Cb 0.13 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.41 3ky9 h GLU 172 CO 0.01 1.20 0.27 0.82 0.07 0.00 0.00 179.01 181.37 3ky9 h ILE 173 N -0.22 0.42 -0.04 -1.06 2.04 -1.50 0.24 117.51 117.38 3ky9 h ILE 173 Ca -0.35 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3ky9 h ILE 173 Cb 1.83 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3ky9 h ILE 173 CO 0.05 0.05 -0.00 0.22 0.00 0.00 0.00 178.15 178.47 3ky9 h TYR 174 N 0.29 0.08 0.00 1.37 3.20 -1.27 -1.74 116.97 118.90 3ky9 h TYR 174 Ca 0.52 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.34 3ky9 h TYR 174 Cb 0.98 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 3ky9 h TYR 174 CO -0.23 0.39 -0.15 0.93 -1.64 0.00 0.00 178.16 177.46 3ky9 h GLU 175 N -0.24 0.00 0.41 1.82 4.39 -0.89 -1.59 114.58 118.47 3ky9 h GLU 175 Ca 0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 3ky9 h GLU 175 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3ky9 h GLU 175 CO 0.00 0.15 -0.20 0.22 -1.16 0.00 0.00 179.01 178.03 3ky9 h ASP 176 N 0.00 -0.46 -0.97 1.42 1.82 -0.47 -2.35 116.42 115.40 3ky9 h ASP 176 Ca -0.00 -0.07 0.25 0.00 -0.39 0.00 0.00 57.03 56.81 3ky9 h ASP 176 Cb 0.55 0.12 -0.13 0.00 0.68 0.00 0.00 39.33 40.55 3ky9 h ASP 176 CO 0.02 -0.03 0.53 0.25 -1.61 0.00 0.00 179.24 178.40 3ky9 h LEU 177 N -1.06 0.55 0.00 2.28 5.85 -1.12 -2.58 115.31 119.23 3ky9 h LEU 177 Ca -0.06 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3ky9 h LEU 177 Cb 0.51 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3ky9 h LEU 177 CO 0.09 0.04 -0.79 0.23 -0.34 0.00 0.00 178.44 177.67 3ky9 n MET 178 N -4.96 0.24 -1.63 1.25 2.81 -0.62 -4.98 117.12 109.23 3ky9 n MET 178 Ca 0.26 0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.78 3ky9 n MET 178 Cb 0.75 -1.62 0.02 0.00 -0.71 0.00 0.00 33.22 31.67 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 -1.95 1.45 0.00 0.03 0.63 -0.89 -4.94 116.66 110.99 3ky9 n ARG 179 Ca 0.03 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 3ky9 n ARG 179 Cb 0.42 -2.15 0.00 0.00 0.45 0.00 0.00 32.46 31.19 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 0.28 0.00 0.00 6.15 3.41 -1.26 -5.07 113.62 117.13 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 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.48 0.00 -1.76 4.33 0.00 -1.26 -5.32 117.12 112.63 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 -0.54 3.17 -2.24 -1.26 -4.96 114.28 108.44 3ky9 n THR 190 Ca 0.00 -0.94 0.10 0.00 -2.27 0.00 0.00 64.05 60.95 3ky9 n THR 190 Cb 0.00 -1.48 0.35 0.00 -2.10 0.00 0.00 70.33 67.10 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 -3.34 3.41 -0.09 -0.78 2.13 -1.26 -2.72 120.64 117.99 3ky9 n GLU 191 Ca 0.15 -2.83 -0.11 0.00 0.66 0.00 0.00 57.16 55.02 3ky9 n GLU 191 Cb 0.51 -1.79 -0.09 0.00 0.27 0.00 0.00 31.44 30.34 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 1.33 0.00 0.14 4.31 9.36 -1.26 -3.64 117.16 127.40 3ky9 n TYR 192 Ca 0.26 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.49 3ky9 n TYR 192 Cb 0.81 -0.68 0.36 0.00 -0.63 0.00 0.00 39.34 39.19 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 0.14 -0.17 2.98 3.32 -1.97 0.24 116.42 120.96 3ky9 h ASP 193 Ca -0.39 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 3ky9 h ASP 193 Cb 1.65 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.15 3ky9 h ASP 193 CO -0.05 0.41 0.03 0.11 -1.72 0.00 0.00 179.24 178.02 3ky9 h LYS 194 N 0.13 0.27 -0.10 3.56 1.57 -1.71 0.05 116.57 120.35 3ky9 h LYS 194 Ca 0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3ky9 h LYS 194 Cb 0.53 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 3ky9 h LYS 194 CO 0.04 0.43 0.04 -0.09 -0.57 0.00 0.00 179.45 179.30 3ky9 h ARG 195 N 0.07 0.15 -0.85 3.15 2.43 -1.50 -2.70 114.38 115.13 3ky9 h ARG 195 Ca 0.05 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3ky9 h ARG 195 Cb 0.29 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3ky9 h ARG 195 CO 0.00 0.27 0.49 0.00 -1.51 0.00 0.00 179.97 179.22 3ky9 h LEU 199 N 0.03 0.00 0.00 0.00 3.38 -0.83 -0.48 115.31 117.41 3ky9 h LEU 199 Ca 0.04 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 3ky9 h LEU 199 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3ky9 h LEU 199 CO 0.02 0.00 -1.04 0.03 0.09 0.00 0.00 178.44 177.54 3ky9 h ARG 200 N 0.00 0.00 -0.61 1.13 3.08 -1.19 -2.72 114.38 114.07 3ky9 h ARG 200 Ca 0.13 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 3ky9 h ARG 200 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3ky9 h ARG 200 CO -0.00 0.83 0.07 1.49 -1.07 0.00 0.00 179.97 181.29 3ky9 h GLU 201 N 0.00 1.02 -0.27 0.04 4.81 -0.68 -1.28 114.58 118.21 3ky9 h GLU 201 Ca -0.05 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 3ky9 h GLU 201 Cb 1.74 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 3ky9 h GLU 201 CO 0.11 0.95 -0.15 0.82 -0.73 0.00 0.00 179.01 180.02 3ky9 h ILE 202 N 0.95 1.30 -0.32 2.32 2.04 -1.30 -1.10 117.51 121.40 3ky9 h ILE 202 Ca 0.19 -1.25 -0.18 0.00 1.00 0.00 0.00 64.86 64.62 3ky9 h ILE 202 Cb 0.45 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3ky9 h ILE 202 CO 0.02 0.39 -0.49 -0.61 0.00 0.00 0.00 178.15 177.46 3ky9 h GLN 203 N 0.32 0.88 -0.02 2.37 4.15 -1.46 -2.87 115.11 118.47 3ky9 h GLN 203 Ca 0.06 -0.52 -0.06 0.00 0.77 0.00 0.00 58.65 58.90 3ky9 h GLN 203 Cb 0.67 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.41 3ky9 h GLN 203 CO 0.04 1.16 -0.20 1.96 -1.93 0.00 0.00 178.83 179.86 3ky9 h GLN 204 N 0.69 0.17 -0.50 1.69 4.20 -1.19 -0.83 115.11 119.34 3ky9 h GLN 204 Ca 0.03 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3ky9 h GLN 204 Cb 1.09 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 3ky9 h GLN 204 CO 0.11 0.86 0.33 1.79 -0.67 0.00 0.00 178.83 181.25 3ky9 h THR 205 N -0.46 1.13 0.02 -0.54 1.35 -1.32 0.32 112.91 113.41 3ky9 h THR 205 Ca -0.02 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3ky9 h THR 205 Cb 0.91 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3ky9 h THR 205 CO 0.04 0.13 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.34 3ky9 h GLU 206 N 0.68 -0.03 -0.60 4.72 4.57 -1.46 0.41 114.58 122.87 3ky9 h GLU 206 Ca 0.18 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.49 3ky9 h GLU 206 Cb -0.08 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 28.41 3ky9 h GLU 206 CO -0.04 0.36 -0.06 0.93 -1.18 0.00 0.00 179.01 179.02 3ky9 h GLU 207 N -0.43 0.07 -0.50 1.92 5.08 -0.76 0.35 114.58 120.30 3ky9 h GLU 207 Ca -0.00 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3ky9 h GLU 207 Cb 0.41 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3ky9 h GLU 207 CO 0.01 0.04 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.76 3ky9 h LYS 208 N 0.07 0.91 -0.09 2.33 1.63 -0.87 -2.02 116.57 118.53 3ky9 h LYS 208 Ca 0.30 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3ky9 h LYS 208 Cb 0.48 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 3ky9 h LYS 208 CO -0.55 0.96 0.01 -0.92 -3.45 0.00 0.00 179.45 175.49 3ky9 h TYR 209 N 0.83 0.17 -0.73 1.91 3.20 0.50 -2.09 116.97 120.76 3ky9 h TYR 209 Ca 0.14 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3ky9 h TYR 209 Cb 0.60 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 3ky9 h TYR 209 CO 0.04 0.38 0.39 1.15 -1.64 0.00 0.00 178.16 178.48 3ky9 h THR 210 N -0.09 1.23 0.00 1.81 2.02 -0.21 -0.79 112.91 116.87 3ky9 h THR 210 Ca 0.03 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3ky9 h THR 210 Cb 0.31 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3ky9 h THR 210 CO 0.00 0.26 -0.02 -0.90 0.37 0.00 0.00 175.52 175.23 3ky9 n ASP 211 N -4.45 0.48 -0.08 4.18 5.75 -0.77 -2.21 116.55 119.46 3ky9 n ASP 211 Ca 0.06 0.53 -0.12 0.00 -0.01 0.00 0.00 54.79 55.25 3ky9 n ASP 211 Cb 0.10 -0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 39.49 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 1.30 -0.80 2.12 2.02 -0.44 0.12 112.91 117.24 3ky9 h THR 212 Ca 0.00 -1.18 0.06 0.00 0.77 0.00 0.00 66.41 66.06 3ky9 h THR 212 Cb 0.64 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 3ky9 h THR 212 CO 0.00 0.36 0.48 -0.07 0.37 0.00 0.00 175.52 176.66 3ky9 h LEU 213 N 0.18 0.75 -0.82 2.58 3.38 -1.22 -0.98 115.31 119.18 3ky9 h LEU 213 Ca 0.05 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ky9 h LEU 213 Cb 0.61 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3ky9 h LEU 213 CO 0.03 0.48 0.53 1.23 0.09 0.00 0.00 178.44 180.80 3ky9 h GLY 214 N 0.88 1.18 1.29 0.83 0.00 -1.21 -1.55 103.07 104.48 3ky9 h GLY 214 Ca 0.35 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 3ky9 h GLY 214 CO -0.18 0.37 0.13 0.23 0.00 0.00 0.00 176.54 177.10 3ky9 h SER 215 N 1.06 0.84 -0.05 0.19 0.87 0.07 -0.03 113.55 116.50 3ky9 h SER 215 Ca 0.32 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3ky9 h SER 215 Cb -0.04 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 3ky9 h SER 215 CO -0.10 0.82 0.02 0.40 -0.53 0.00 0.00 176.83 177.44 3ky9 h ILE 216 N 0.86 1.13 0.00 2.23 2.04 -0.56 -1.65 117.51 121.56 3ky9 h ILE 216 Ca 0.19 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3ky9 h ILE 216 Cb 0.32 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3ky9 h ILE 216 CO -0.00 0.11 0.00 1.67 0.00 0.00 0.00 178.15 179.93 3ky9 n GLN 217 N -4.97 0.00 -0.33 2.37 7.27 -0.64 -0.49 117.38 120.58 3ky9 n GLN 217 Ca -0.07 0.24 0.23 0.00 0.07 0.00 0.00 57.00 57.48 3ky9 n GLN 217 Cb 0.10 -1.15 0.47 0.00 2.41 0.00 0.00 30.24 32.07 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 0.30 0.00 3.69 1.08 -1.08 -1.42 115.11 117.68 3ky9 h GLN 218 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3ky9 h GLN 218 Cb 0.00 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 3ky9 h GLN 218 CO 0.00 0.20 -1.52 0.72 -0.95 0.00 0.00 178.83 177.28 3ky9 n HIS 219 N -5.07 0.00 0.00 2.96 8.25 -0.62 -4.36 115.22 116.38 3ky9 n HIS 219 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 3ky9 n HIS 219 Cb 0.98 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.80 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 -1.91 0.00 -0.21 4.41 3.72 -0.42 -4.60 117.46 118.45 3ky9 n PHE 220 Ca -0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.50 3ky9 n PHE 220 Cb 0.40 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 39.35 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 0.58 0.24 4.37 3.38 -0.01 0.13 115.31 124.00 3ky9 h LEU 221 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ky9 h LEU 221 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3ky9 h LEU 221 CO 0.00 0.32 -0.11 0.11 0.09 0.00 0.00 178.44 178.85 3ky9 h LYS 222 N 0.63 -0.30 -1.17 1.13 1.57 -1.53 -2.37 116.57 114.53 3ky9 h LYS 222 Ca 0.39 0.02 0.37 0.00 -1.87 0.00 0.00 60.65 59.56 3ky9 h LYS 222 Cb 0.62 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.87 3ky9 h LYS 222 CO -0.15 -0.20 0.73 -1.35 -0.57 0.00 0.00 179.45 177.90 3ky9 h PRO 223 N -0.64 0.19 0.17 3.15 0.11 -1.67 -1.75 132.00 131.55 3ky9 h PRO 223 Ca -0.03 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.76 3ky9 h PRO 223 Cb 0.24 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.32 3ky9 h PRO 223 CO 0.05 0.13 -1.40 -0.07 -0.21 0.00 0.00 178.00 176.50 3ky9 h LEU 224 N 0.20 0.55 -0.41 2.35 3.38 -0.83 -3.35 115.31 117.20 3ky9 h LEU 224 Ca 0.76 -0.63 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3ky9 h LEU 224 Cb 2.12 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.63 3ky9 h LEU 224 CO -0.46 1.50 -0.16 0.00 0.09 0.00 0.00 178.44 179.41 3ky9 n GLN 225 N -3.57 -0.10 -0.21 1.13 6.02 -0.66 -0.24 117.38 119.75 3ky9 n GLN 225 Ca -0.13 0.63 -0.07 0.00 -0.01 0.00 0.00 57.00 57.42 3ky9 n GLN 225 Cb 1.06 -0.93 0.03 0.00 1.02 0.00 0.00 30.24 31.41 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 0.83 -0.10 -1.09 3.08 -1.71 -3.06 114.38 112.33 3ky9 h ARG 226 Ca 0.14 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 3ky9 h ARG 226 Cb 0.24 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3ky9 h ARG 226 CO -0.41 0.66 -0.48 0.74 -1.07 0.00 0.00 179.97 179.41 3ky9 h PHE 227 N 0.80 0.32 -3.44 3.04 -1.00 -0.83 -3.46 116.94 112.36 3ky9 h PHE 227 Ca 0.20 -0.10 -0.66 0.00 2.81 0.00 0.00 57.97 60.23 3ky9 h PHE 227 Cb 0.09 -0.07 -0.14 0.00 3.61 0.00 0.00 35.95 39.45 3ky9 h PHE 227 CO -0.01 0.69 -0.69 -0.51 -1.61 0.00 0.00 178.31 176.19 3ky9 s LEU 228 N -8.15 3.29 0.34 1.54 1.43 -1.01 -5.09 118.68 111.02 3ky9 s LEU 228 Ca -0.04 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 3ky9 s LEU 228 Cb 0.13 -2.03 -0.11 0.00 0.03 0.00 0.00 46.19 44.20 3ky9 s LEU 228 CO 0.78 0.18 1.52 -0.54 0.23 0.00 0.00 176.35 178.53 3ky9 s LYS 229 N -2.21 4.12 -0.13 1.70 1.02 -1.26 -4.83 119.74 118.15 3ky9 s LYS 229 Ca 0.24 2.56 -0.01 0.00 0.02 0.00 0.00 55.97 58.77 3ky9 s LYS 229 Cb -0.11 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3ky9 s LYS 229 CO 0.16 -0.56 1.13 -2.30 -0.92 0.00 0.00 175.35 172.85 3ky9 n PRO 230 N 1.21 0.41 0.00 -1.68 -0.02 -1.26 0.45 135.00 134.11 3ky9 n PRO 230 Ca 0.04 -0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 3ky9 n PRO 230 Cb 0.39 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 4.01 0.02 -0.09 -0.52 10.64 -1.26 -4.56 117.38 125.61 3ky9 n GLN 231 Ca 0.09 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.14 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 1.84 -0.08 2.61 10.43 0.17 -4.68 116.55 126.84 3ky9 n ASP 232 Ca 0.00 -0.07 -0.09 0.00 2.57 0.00 0.00 54.79 57.20 3ky9 n ASP 232 Cb 0.00 0.15 -0.12 0.00 1.84 0.00 0.00 41.12 42.99 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 -2.91 1.09 0.14 0.53 0.13 -1.10 -4.38 119.36 112.85 3ky9 n ILE 233 Ca -0.33 -0.63 0.18 0.00 -1.10 0.00 0.00 62.75 60.88 3ky9 n ILE 233 Cb 0.95 -0.69 0.66 0.00 -0.84 0.00 0.00 39.64 39.72 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 0.12 9.51 4.81 -1.80 -0.62 114.58 126.59 3ky9 h GLU 234 Ca -0.43 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 3ky9 h GLU 234 Cb 1.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.30 3ky9 h GLU 234 CO 0.01 0.00 -0.06 0.82 -0.73 0.00 0.00 179.01 179.05 3ky9 h ILE 235 N 0.00 1.02 0.25 2.32 2.04 -1.84 -3.31 117.51 117.99 3ky9 h ILE 235 Ca 0.17 -0.53 -0.33 0.00 1.00 0.00 0.00 64.86 65.16 3ky9 h ILE 235 Cb 1.30 1.35 0.04 0.00 -0.74 0.00 0.00 36.82 38.77 3ky9 h ILE 235 CO -0.00 0.13 -1.47 0.40 0.00 0.00 0.00 178.15 177.21 3ky9 h ILE 236 N -0.40 1.29 0.34 -0.67 5.03 -1.41 -3.39 117.51 118.30 3ky9 h ILE 236 Ca -0.02 -2.69 -0.02 0.00 -0.12 0.00 0.00 64.86 62.02 3ky9 h ILE 236 Cb 0.33 3.05 0.00 0.00 -3.03 0.00 0.00 36.82 37.17 3ky9 h ILE 236 CO 0.03 0.81 -0.17 0.15 -0.68 0.00 0.00 178.15 178.28 3ky9 h PHE 237 N 0.14 -0.45 -0.84 1.37 3.57 -1.55 -0.27 116.94 118.91 3ky9 h PHE 237 Ca -0.26 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.40 3ky9 h PHE 237 Cb 2.16 0.15 -0.10 0.00 2.79 0.00 0.00 35.95 40.95 3ky9 h PHE 237 CO 0.13 -0.28 0.39 0.82 -2.23 0.00 0.00 178.31 177.15 3ky9 h ILE 238 N -0.47 0.65 0.61 1.41 2.04 -1.78 0.12 117.51 120.09 3ky9 h ILE 238 Ca -0.04 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3ky9 h ILE 238 Cb 0.37 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3ky9 h ILE 238 CO 0.07 0.10 -0.29 0.78 0.00 0.00 0.00 178.15 178.80 3ky9 h ASN 239 N 0.52 -0.69 -0.76 1.72 2.35 -1.67 -2.23 115.58 114.82 3ky9 h ASN 239 Ca 0.48 0.02 0.12 0.00 -0.55 0.00 0.00 56.30 56.37 3ky9 h ASN 239 Cb 0.75 0.18 -0.08 0.00 0.05 0.00 0.00 38.32 39.22 3ky9 h ASN 239 CO -0.42 -0.39 0.37 0.40 -1.65 0.00 0.00 177.43 175.74 3ky9 h ILE 240 N -1.02 0.78 -0.40 2.81 1.08 -0.83 -0.44 117.51 119.49 3ky9 h ILE 240 Ca -0.08 -0.20 -0.06 0.00 -0.39 0.00 0.00 64.86 64.12 3ky9 h ILE 240 Cb 0.62 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 3ky9 h ILE 240 CO 0.14 0.11 0.00 -0.08 -0.69 0.00 0.00 178.15 177.62 3ky9 h GLU 241 N 0.58 0.70 -0.94 2.37 4.22 -0.83 0.18 114.58 120.86 3ky9 h GLU 241 Ca 0.39 -0.22 0.01 0.00 0.08 0.00 0.00 59.36 59.62 3ky9 h GLU 241 Cb 0.49 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3ky9 h GLU 241 CO -0.32 0.79 0.63 -0.44 -2.18 0.00 0.00 179.01 177.49 3ky9 h ASP 242 N 0.53 1.08 -0.64 1.04 5.19 -0.97 -1.30 116.42 121.35 3ky9 h ASP 242 Ca 0.11 -0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.41 3ky9 h ASP 242 Cb 0.47 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3ky9 h ASP 242 CO 0.02 0.78 0.07 -0.07 -3.12 0.00 0.00 179.24 176.92 3ky9 h LEU 243 N 1.27 1.04 -0.66 1.55 4.07 -0.53 -1.87 115.31 120.19 3ky9 h LEU 243 Ca 0.35 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 3ky9 h LEU 243 Cb -0.14 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.30 3ky9 h LEU 243 CO -0.08 1.06 0.29 0.25 -1.08 0.00 0.00 178.44 178.88 3ky9 h LEU 244 N 0.99 0.89 -0.09 1.67 5.85 -0.13 -1.82 115.31 122.67 3ky9 h LEU 244 Ca 0.19 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3ky9 h LEU 244 Cb 0.48 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 3ky9 h LEU 244 CO 0.02 0.79 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.79 3ky9 h ARG 245 N 0.92 0.18 -0.51 1.25 2.43 -1.17 0.65 114.38 118.12 3ky9 h ARG 245 Ca 0.22 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3ky9 h ARG 245 Cb 0.16 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 3ky9 h ARG 245 CO -0.02 0.51 0.26 0.28 -1.51 0.00 0.00 179.97 179.49 3ky9 h VAL 246 N -0.17 0.95 -0.09 0.20 2.07 -1.28 -2.05 116.25 115.89 3ky9 h VAL 246 Ca 0.02 -0.17 -0.24 0.00 0.82 0.00 0.00 66.70 67.13 3ky9 h VAL 246 Cb 0.45 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3ky9 h VAL 246 CO 0.01 0.09 -0.88 0.45 0.02 0.00 0.00 177.57 177.27 3ky9 h HIS 247 N 0.51 1.00 -0.78 1.57 3.86 -1.29 0.23 115.15 120.25 3ky9 h HIS 247 Ca 0.23 -0.48 0.14 0.00 -1.16 0.00 0.00 60.37 59.10 3ky9 h HIS 247 Cb 0.14 -0.14 -0.09 0.00 1.06 0.00 0.00 27.41 28.37 3ky9 h HIS 247 CO -0.10 1.31 0.33 1.15 0.86 0.00 0.00 177.93 181.49 3ky9 h THR 248 N 0.46 0.67 -0.02 2.45 2.02 -0.64 0.61 112.91 118.45 3ky9 h THR 248 Ca -0.08 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3ky9 h THR 248 Cb 1.51 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3ky9 h THR 248 CO 0.17 0.09 -0.04 0.45 0.37 0.00 0.00 175.52 176.56 3ky9 h HIS 249 N 0.48 0.09 -0.70 3.16 3.86 -1.26 -3.03 115.15 117.76 3ky9 h HIS 249 Ca 0.43 -0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.73 3ky9 h HIS 249 Cb 0.64 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 28.96 3ky9 h HIS 249 CO -0.15 0.62 -0.28 0.35 0.86 0.00 0.00 177.93 179.33 3ky9 h PHE 250 N -0.47 -0.72 -0.78 2.45 3.57 0.68 -1.31 116.94 120.36 3ky9 h PHE 250 Ca 0.00 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3ky9 h PHE 250 Cb 0.61 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 3ky9 h PHE 250 CO 0.12 -0.36 0.46 1.25 -2.23 0.00 0.00 178.31 177.55 3ky9 h LEU 251 N -0.08 0.94 -0.29 0.59 5.85 0.13 0.18 115.31 122.62 3ky9 h LEU 251 Ca 0.30 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3ky9 h LEU 251 Cb 0.56 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3ky9 h LEU 251 CO -0.75 0.72 0.18 0.11 -0.34 0.00 0.00 178.44 178.36 3ky9 h LYS 252 N 1.08 0.36 -0.03 1.25 1.57 -1.13 -0.43 116.57 119.25 3ky9 h LYS 252 Ca 0.28 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.90 3ky9 h LYS 252 Cb -0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3ky9 h LYS 252 CO -0.05 0.24 -0.61 0.93 -0.57 0.00 0.00 179.45 179.38 3ky9 h GLU 253 N 0.37 0.11 -0.11 3.15 5.08 -0.93 -2.23 114.58 120.02 3ky9 h GLU 253 Ca 0.11 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3ky9 h GLU 253 Cb -0.02 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ky9 h GLU 253 CO -0.04 0.68 0.03 1.98 -1.00 0.00 0.00 179.01 180.67 3ky9 h MET 254 N 0.08 0.17 -0.49 2.33 4.05 -0.46 -2.70 114.93 117.91 3ky9 h MET 254 Ca -0.01 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.41 3ky9 h MET 254 Cb 1.10 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.84 3ky9 h MET 254 CO 0.09 0.31 0.28 0.87 0.23 0.00 0.00 176.91 178.69 3ky9 h LYS 255 N -0.01 0.53 0.40 0.39 1.57 -0.92 -2.30 116.57 116.24 3ky9 h LYS 255 Ca 0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3ky9 h LYS 255 Cb 0.22 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3ky9 h LYS 255 CO -0.00 0.35 -0.24 0.93 -0.57 0.00 0.00 179.45 179.93 3ky9 h GLU 256 N 0.55 -0.58 -0.07 3.15 5.08 -1.41 -0.94 114.58 120.36 3ky9 h GLU 256 Ca 0.20 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 3ky9 h GLU 256 Cb 0.05 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3ky9 h GLU 256 CO -0.11 -0.39 0.11 0.00 -1.00 0.00 0.00 179.01 177.62 3ky9 h ALA 257 N -0.03 1.51 0.16 3.43 0.00 -1.31 -2.27 119.26 120.75 3ky9 h ALA 257 Ca -0.05 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 3ky9 h ALA 257 Cb 0.49 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ky9 h ALA 257 CO 0.05 -0.14 -1.34 -0.07 0.00 0.00 0.00 179.25 177.75 3ky9 h LEU 258 N 0.00 0.52 -0.20 0.00 3.38 -0.99 -3.38 115.31 114.64 3ky9 h LEU 258 Ca 0.03 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 57.11 3ky9 h LEU 258 Cb 0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3ky9 h LEU 258 CO -0.00 1.61 0.10 1.23 0.09 0.00 0.00 178.44 181.47 3ky9 h GLY 259 N 0.08 0.27 -4.60 0.83 0.00 -0.62 -3.42 103.07 95.62 3ky9 h GLY 259 Ca -0.26 -0.08 -0.61 0.00 0.00 0.00 0.00 47.33 46.38 3ky9 h GLY 259 CO 0.14 0.07 0.26 -1.30 0.00 0.00 0.00 176.54 175.70 3ky9 n THR 260 N -4.99 1.61 -1.39 4.70 -2.24 -0.99 -4.85 114.28 106.12 3ky9 n THR 260 Ca -0.03 -0.40 -0.44 0.00 -2.27 0.00 0.00 64.05 60.91 3ky9 n THR 260 Cb 0.05 -1.08 -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 1.11 0.27 0.00 -0.78 -0.02 -1.26 -2.78 135.00 131.54 3ky9 n PRO 261 Ca 0.11 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3ky9 n PRO 261 Cb 0.31 -1.21 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 2.00 1.29 1.11 -1.23 0.00 -1.26 -4.44 105.19 102.67 3ky9 n GLY 262 Ca 0.13 -0.01 -0.00 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 -0.11 0.80 4.61 0.00 -1.12 -5.00 120.51 119.69 3ky9 n ALA 263 Ca 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3ky9 n ALA 263 Cb 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.13 3.44 1.21 0.00 0.00 -1.26 -4.13 120.51 118.65 3ky9 n ALA 264 Ca -0.01 -0.56 0.14 0.00 0.00 0.00 0.00 53.44 53.02 3ky9 n ALA 264 Cb 0.50 -0.63 0.58 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.30 0.25 -0.24 0.00 5.15 -1.26 -4.24 115.26 114.63 3ky9 n ASN 265 Ca 0.07 -0.11 -0.06 0.00 -0.60 0.00 0.00 54.58 53.88 3ky9 n ASN 265 Cb 0.36 -0.19 0.04 0.00 -0.53 0.00 0.00 39.78 39.47 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 0.20 0.83 -1.57 1.20 5.85 -1.79 -1.49 115.31 118.54 3ky9 h LEU 266 Ca 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3ky9 h LEU 266 Cb 0.42 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3ky9 h LEU 266 CO 0.00 0.70 0.15 0.10 -0.34 0.00 0.00 178.44 179.05 3ky9 h TYR 267 N 0.90 0.00 0.15 1.25 -0.00 -1.88 -1.60 116.97 115.79 3ky9 h TYR 267 Ca 0.23 0.00 -0.35 0.00 -0.00 0.00 0.00 58.73 58.61 3ky9 h TYR 267 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.79 3ky9 h TYR 267 CO -0.00 0.00 -1.82 0.37 -0.00 0.00 0.00 178.16 176.71 3ky9 h GLN 268 N 0.00 0.31 -0.52 0.10 4.15 -1.56 -3.23 115.11 114.36 3ky9 h GLN 268 Ca 0.00 -0.54 0.07 0.00 0.77 0.00 0.00 58.65 58.95 3ky9 h GLN 268 Cb 0.30 0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 3ky9 h GLN 268 CO 0.00 1.22 0.20 0.28 -1.93 0.00 0.00 178.83 178.60 3ky9 h VAL 269 N 0.09 0.84 -0.18 2.39 2.07 -1.29 0.14 116.25 120.30 3ky9 h VAL 269 Ca -0.36 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3ky9 h VAL 269 Cb 2.06 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 3ky9 h VAL 269 CO 0.14 0.07 0.05 -0.26 0.02 0.00 0.00 177.57 177.59 3ky9 h PHE 270 N 0.39 0.09 -0.35 1.57 0.04 -1.67 -2.00 116.94 115.01 3ky9 h PHE 270 Ca 0.25 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.94 3ky9 h PHE 270 Cb 0.26 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3ky9 h PHE 270 CO -0.15 0.04 -0.12 0.82 -0.60 0.00 0.00 178.31 178.30 3ky9 h ILE 271 N 0.13 1.28 -1.00 -0.55 2.04 -1.51 -2.65 117.51 115.26 3ky9 h ILE 271 Ca 0.08 -1.20 0.14 0.00 1.00 0.00 0.00 64.86 64.88 3ky9 h ILE 271 Cb 0.06 1.33 -0.09 0.00 -0.74 0.00 0.00 36.82 37.38 3ky9 h ILE 271 CO -0.09 0.39 0.63 0.50 0.00 0.00 0.00 178.15 179.58 3ky9 h LYS 272 N 0.48 0.88 -0.16 2.37 3.64 -0.59 -2.35 116.57 120.85 3ky9 h LYS 272 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ky9 h LYS 272 Cb 0.63 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3ky9 h LYS 272 CO 0.04 0.58 0.00 0.66 -2.27 0.00 0.00 179.45 178.46 3ky9 n TYR 273 N -4.66 0.20 0.14 1.91 4.01 -0.76 -4.54 117.16 113.45 3ky9 n TYR 273 Ca 0.20 -0.10 -0.13 0.00 -0.16 0.00 0.00 57.90 57.71 3ky9 n TYR 273 Cb 0.43 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 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 3.01 -0.40 -0.33 -0.72 3.64 -1.07 -1.55 116.57 119.16 3ky9 h LYS 274 Ca 0.00 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3ky9 h LYS 274 Cb 0.65 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3ky9 h LYS 274 CO 0.00 -0.27 -0.13 1.05 -2.27 0.00 0.00 179.45 177.83 3ky9 h GLU 275 N -0.41 0.57 -0.83 1.90 4.11 -1.81 0.20 114.58 118.31 3ky9 h GLU 275 Ca 0.00 -0.17 0.10 0.00 0.07 0.00 0.00 59.36 59.36 3ky9 h GLU 275 Cb 0.39 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 3ky9 h GLU 275 CO -0.05 0.69 0.54 0.00 0.07 0.00 0.00 179.01 180.25 3ky9 h ARG 276 N 0.52 0.75 0.00 1.06 3.08 -1.80 -2.16 114.38 115.83 3ky9 h ARG 276 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3ky9 h ARG 276 Cb 0.53 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3ky9 h ARG 276 CO 0.03 0.49 0.00 1.19 -1.07 0.00 0.00 179.97 180.62 3ky9 n PHE 277 N -4.51 0.00 0.34 3.04 3.72 0.05 -3.14 117.46 116.95 3ky9 n PHE 277 Ca 0.14 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.65 3ky9 n PHE 277 Cb 0.33 -0.29 0.49 0.00 -0.94 0.00 0.00 39.48 39.07 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 -1.29 0.59 0.33 4.37 4.77 -0.81 -1.59 117.00 123.37 3ky9 n LEU 278 Ca 0.11 0.68 0.21 0.00 -0.03 0.00 0.00 56.01 56.98 3ky9 n LEU 278 Cb 0.19 -0.63 1.14 0.00 -2.33 0.00 0.00 43.42 41.79 3ky9 n LEU 278 CO 0.18 -0.64 1.17 -0.37 -1.33 0.00 0.00 177.39 176.40 3ky9 h VAL 279 N 0.00 0.00 0.00 4.08 -1.51 -1.76 -0.86 116.25 116.20 3ky9 h VAL 279 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 3ky9 h VAL 279 Cb 0.26 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 3ky9 h VAL 279 CO 0.00 0.00 -0.03 1.88 -1.23 0.00 0.00 177.57 178.19 3ky9 h TYR 280 N 0.00 0.00 0.14 5.19 0.05 -1.59 -0.50 116.97 120.26 3ky9 h TYR 280 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3ky9 h TYR 280 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 3ky9 h TYR 280 CO 0.00 0.03 -0.07 0.78 -1.05 0.00 0.00 178.16 177.86 3ky9 h GLY 281 N 0.26 -0.20 0.36 3.88 0.00 -1.38 0.49 103.07 106.49 3ky9 h GLY 281 Ca -0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3ky9 h GLY 281 CO 0.00 -0.07 -0.05 -0.09 0.00 0.00 0.00 176.54 176.33 3ky9 h ARG 282 N -0.56 0.04 0.68 4.80 2.43 -1.55 -2.87 114.38 117.34 3ky9 h ARG 282 Ca -0.02 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3ky9 h ARG 282 Cb 0.44 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3ky9 h ARG 282 CO 0.03 0.03 -0.44 -0.92 -1.51 0.00 0.00 179.97 177.15 3ky9 h TYR 283 N 0.04 -1.19 0.00 2.20 3.20 -1.01 -0.67 116.97 119.54 3ky9 h TYR 283 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3ky9 h TYR 283 Cb 0.25 0.43 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3ky9 h TYR 283 CO -0.29 -0.66 0.00 0.00 -1.64 0.00 0.00 178.16 175.58 3ky9 n SER 285 N 0.21 2.44 -0.01 0.00 2.88 -0.94 -4.64 113.62 113.55 3ky9 n SER 285 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ky9 n SER 285 Cb 0.20 0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 63.59 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 -1.95 0.65 0.01 -1.46 6.02 -0.30 -4.65 117.38 115.71 3ky9 n GLN 286 Ca 0.00 0.06 -0.15 0.00 -0.01 0.00 0.00 57.00 56.90 3ky9 n GLN 286 Cb 0.29 -1.66 -0.10 0.00 1.02 0.00 0.00 30.24 29.79 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 0.00 0.00 5.09 3.04 -1.16 -1.62 116.25 121.60 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 1.62 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 3ky9 h VAL 287 CO 0.03 0.00 0.12 -0.62 -1.01 0.00 0.00 177.57 176.09 3ky9 n GLU 288 N -5.39 0.07 -0.11 4.17 1.02 -1.26 -1.13 120.64 118.01 3ky9 n GLU 288 Ca -0.06 0.52 -0.16 0.00 -0.02 0.00 0.00 57.16 57.44 3ky9 n GLU 288 Cb 0.38 -1.84 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 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 -1.85 2.24 0.23 1.62 3.41 -0.67 -3.31 113.62 115.30 3ky9 n SER 289 Ca -0.01 -0.10 0.08 0.00 -0.26 0.00 0.00 58.87 58.58 3ky9 n SER 289 Cb 0.13 -0.37 0.56 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 -0.04 1.46 0.00 7.33 0.00 -0.97 -0.83 119.26 126.22 3ky9 h ALA 290 Ca -0.50 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 3ky9 h ALA 290 Cb 1.76 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 3ky9 h ALA 290 CO -0.09 0.24 -0.96 1.03 0.00 0.00 0.00 179.25 179.47 3ky9 h SER 291 N 0.00 0.00 1.01 0.00 0.87 -1.30 0.12 113.55 114.24 3ky9 h SER 291 Ca -0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 3ky9 h SER 291 Cb 0.40 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 3ky9 h SER 291 CO 0.03 0.96 -0.82 0.11 -0.53 0.00 0.00 176.83 176.58 3ky9 h LYS 292 N 0.00 0.00 -0.20 2.24 1.57 -1.50 -2.68 116.57 116.00 3ky9 h LYS 292 Ca -0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3ky9 h LYS 292 Cb 1.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.03 3ky9 h LYS 292 CO 0.13 0.82 -0.14 1.25 -0.57 0.00 0.00 179.45 180.93 3ky9 h HIS 293 N 0.00 0.54 -0.65 -1.35 2.76 -1.03 -2.19 115.15 113.22 3ky9 h HIS 293 Ca -0.01 -0.15 0.13 0.00 -2.20 0.00 0.00 60.37 58.15 3ky9 h HIS 293 Cb 1.54 -0.12 -0.10 0.00 1.55 0.00 0.00 27.41 30.28 3ky9 h HIS 293 CO 0.00 0.78 0.10 1.25 -1.30 0.00 0.00 177.93 178.76 3ky9 h LEU 294 N 0.14 -0.09 -1.91 0.26 5.85 -0.81 -1.42 115.31 117.33 3ky9 h LEU 294 Ca 0.04 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3ky9 h LEU 294 Cb 0.66 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3ky9 h LEU 294 CO 0.04 -0.05 -0.04 0.44 -0.34 0.00 0.00 178.44 178.49 3ky9 h ASP 295 N 0.21 0.00 0.55 1.25 3.32 -1.20 -2.54 116.42 118.02 3ky9 h ASP 295 Ca 0.35 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.11 3ky9 h ASP 295 Cb 0.57 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 3ky9 h ASP 295 CO -0.48 0.04 -1.37 0.03 -1.72 0.00 0.00 179.24 175.74 3ky9 h ARG 296 N 0.00 0.26 0.00 3.56 3.08 -0.65 -2.96 114.38 117.68 3ky9 h ARG 296 Ca -0.00 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3ky9 h ARG 296 Cb 0.37 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3ky9 h ARG 296 CO 0.01 1.17 0.00 0.28 -1.07 0.00 0.00 179.97 180.36 3ky9 n VAL 297 N -3.50 0.00 -0.01 2.04 0.31 -0.79 -2.50 118.33 113.89 3ky9 n VAL 297 Ca -0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3ky9 n VAL 297 Cb 1.03 -0.48 -0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 3.18 -0.05 -0.69 3.52 0.00 -1.31 -3.28 119.26 120.62 3ky9 h ALA 298 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3ky9 h ALA 298 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3ky9 h ALA 298 CO 0.00 -0.05 0.38 0.00 0.00 0.00 0.00 179.25 179.57 3ky9 h ALA 299 N -1.52 0.93 0.00 0.00 0.00 -1.66 -2.70 119.26 114.32 3ky9 h ALA 299 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ky9 h ALA 299 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ky9 h ALA 299 CO 0.01 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3ky9 n ALA 300 N -2.37 2.14 -3.51 0.00 0.00 -1.04 -4.67 120.51 111.06 3ky9 n ALA 300 Ca 0.09 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 3ky9 n ALA 300 Cb 0.20 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 0.91 -0.20 0.00 0.52 -1.02 -5.01 118.95 112.15 3ky9 s ARG 301 Ca 0.06 0.47 -0.14 0.00 -0.52 0.00 0.00 55.73 55.60 3ky9 s ARG 301 Cb 0.03 0.43 -0.20 0.00 0.52 0.00 0.00 34.95 35.73 3ky9 s ARG 301 CO 0.05 -0.22 0.11 0.39 0.02 0.00 0.00 175.30 175.64 3ky9 n GLU 302 N 1.65 0.63 0.03 3.54 1.02 -1.26 -3.47 120.64 122.78 3ky9 n GLU 302 Ca -0.17 0.40 0.02 0.00 -0.02 0.00 0.00 57.16 57.38 3ky9 n GLU 302 Cb 0.56 -1.67 0.08 0.00 -0.02 0.00 0.00 31.44 30.39 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 -4.04 0.08 -0.03 1.62 5.75 -1.26 -1.67 116.55 117.00 3ky9 n ASP 303 Ca -0.37 0.44 -0.03 0.00 -0.01 0.00 0.00 54.79 54.81 3ky9 n ASP 303 Cb 0.84 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 40.48 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 -1.53 0.58 -0.42 2.12 0.31 -1.26 -4.14 118.33 114.00 3ky9 n VAL 304 Ca -0.00 0.34 0.37 0.00 -0.01 0.00 0.00 64.34 65.04 3ky9 n VAL 304 Cb 0.12 -1.79 0.64 0.00 -0.91 0.00 0.00 33.84 31.91 3ky9 n VAL 304 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3ky9 n GLN 305 N -3.24 -0.04 0.16 5.55 -0.06 -1.13 0.96 117.38 119.58 3ky9 n GLN 305 Ca -0.05 1.28 0.03 0.00 -2.00 0.00 0.00 57.00 56.26 3ky9 n GLN 305 Cb 0.19 -2.45 0.21 0.00 -4.06 0.00 0.00 30.24 24.13 3ky9 n GLN 305 CO 0.00 0.00 0.00 1.98 -0.20 0.00 0.00 177.06 178.84 3ky9 h MET 306 N 0.00 0.00 0.00 3.69 4.05 -1.55 -3.33 114.93 117.79 3ky9 h MET 306 Ca 0.86 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 60.05 3ky9 h MET 306 Cb 2.63 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 33.39 3ky9 h MET 306 CO -0.55 0.47 -1.66 1.17 0.23 0.00 0.00 176.91 176.57 3ky9 n LYS 307 N -3.44 0.63 -0.03 0.39 4.81 0.27 -3.55 118.16 117.24 3ky9 n LYS 307 Ca 0.00 0.21 0.01 0.00 -0.87 0.00 0.00 58.31 57.66 3ky9 n LYS 307 Cb 0.61 -1.76 0.02 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 -2.92 0.58 -0.04 3.14 4.77 -0.89 -0.82 117.00 120.82 3ky9 n LEU 308 Ca -0.15 -0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 55.52 3ky9 n LEU 308 Cb 0.95 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.74 3ky9 n LEU 308 CO 0.44 0.13 -0.81 -0.62 -1.33 0.00 0.00 177.39 175.20 3ky9 n GLU 309 N -0.23 1.38 0.05 3.23 1.02 -1.23 -4.09 120.64 120.75 3ky9 n GLU 309 Ca 0.01 -0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.08 3ky9 n GLU 309 Cb 0.13 -1.32 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 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 -0.14 -0.99 3.49 4.81 -1.17 0.16 114.58 120.74 3ky9 h GLU 310 Ca -0.21 0.01 0.33 0.00 -0.13 0.00 0.00 59.36 59.36 3ky9 h GLU 310 Cb 1.34 0.03 -0.18 0.00 0.63 0.00 0.00 28.75 30.57 3ky9 h GLU 310 CO 0.01 -0.10 0.25 0.00 -0.73 0.00 0.00 179.01 178.44 3ky9 h SER 312 N 0.02 -0.34 -0.81 0.00 0.87 -1.71 0.76 113.55 112.34 3ky9 h SER 312 Ca 0.70 0.01 0.18 0.00 -1.23 0.00 0.00 61.79 61.45 3ky9 h SER 312 Cb 1.64 0.09 -0.11 0.00 -0.44 0.00 0.00 62.40 63.58 3ky9 h SER 312 CO -0.85 -0.24 0.29 -0.61 -0.53 0.00 0.00 176.83 174.89 3ky9 h GLN 313 N -0.42 0.36 0.60 2.24 5.75 0.14 -2.16 115.11 121.61 3ky9 h GLN 313 Ca -0.04 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3ky9 h GLN 313 Cb 0.31 -0.08 0.01 0.00 1.07 0.00 0.00 27.48 28.79 3ky9 h GLN 313 CO 0.07 0.24 -0.29 -0.09 -2.65 0.00 0.00 178.83 176.11 3ky9 h ARG 314 N 0.37 -0.77 -0.18 1.69 2.43 0.16 -0.15 114.38 117.93 3ky9 h ARG 314 Ca 0.47 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.74 3ky9 h ARG 314 Cb 0.83 0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 30.48 3ky9 h ARG 314 CO -0.50 -0.51 -0.46 0.00 -1.51 0.00 0.00 179.97 176.99 3ky9 h ALA 315 N -1.47 -0.65 0.00 2.80 0.00 -0.43 -3.33 119.26 116.19 3ky9 h ALA 315 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ky9 h ALA 315 Cb 0.61 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3ky9 h ALA 315 CO 0.13 -0.96 -0.06 0.27 0.00 0.00 0.00 179.25 178.63 3ky9 n ASN 316 N -5.43 1.13 -2.56 0.00 0.23 -0.85 -5.01 115.26 102.77 3ky9 n ASN 316 Ca -0.04 -1.82 -0.17 0.00 -0.53 0.00 0.00 54.58 52.02 3ky9 n ASN 316 Cb 0.37 -0.09 0.05 0.00 -2.08 0.00 0.00 39.78 38.03 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 -0.40 -5.09 -0.03 0.53 5.15 -0.07 -3.72 115.26 111.63 3ky9 n ASN 317 Ca 0.02 -0.32 -0.00 0.00 -0.60 0.00 0.00 54.58 53.68 3ky9 n ASN 317 Cb 0.45 -3.79 -0.00 0.00 -0.53 0.00 0.00 39.78 35.90 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 -1.49 0.47 0.21 8.20 0.00 -1.17 -4.86 105.19 106.54 3ky9 n GLY 318 Ca -0.03 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.73 0.00 -3.04 1.61 3.08 -1.87 -3.45 114.38 111.45 3ky9 h ARG 319 Ca -0.01 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 3ky9 h ARG 319 Cb 0.11 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.82 3ky9 h ARG 319 CO 0.01 0.15 -0.59 -0.06 -1.07 0.00 0.00 179.97 178.41 3ky9 s PHE 320 N -3.25 -0.26 0.70 3.04 0.40 -1.26 -5.13 117.98 112.21 3ky9 s PHE 320 Ca 0.05 0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 56.98 3ky9 s PHE 320 Cb 0.07 -0.15 0.01 0.00 0.51 0.00 0.00 43.02 43.46 3ky9 s PHE 320 CO 0.67 -0.28 1.08 0.95 0.70 0.00 0.00 175.22 178.34 3ky9 s THR 321 N 2.10 3.75 0.36 0.64 -4.23 -1.26 -4.77 115.64 112.22 3ky9 s THR 321 Ca -0.00 0.57 0.06 0.00 -1.18 0.00 0.00 61.69 61.14 3ky9 s THR 321 Cb -0.12 -3.50 0.30 0.00 1.34 0.00 0.00 72.50 70.52 3ky9 s THR 321 CO -0.07 -0.74 1.93 0.25 -0.54 0.00 0.00 174.62 175.45 3ky9 h LEU 322 N -0.65 0.68 0.51 4.79 5.85 -1.98 -2.07 115.31 122.43 3ky9 h LEU 322 Ca -0.45 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3ky9 h LEU 322 Cb 1.24 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3ky9 h LEU 322 CO 0.62 0.42 -0.43 0.03 -0.34 0.00 0.00 178.44 178.74 3ky9 h ARG 323 N 0.76 -0.89 -0.98 1.25 3.08 -1.98 -1.12 114.38 114.50 3ky9 h ARG 323 Ca 0.35 0.06 0.24 0.00 0.07 0.00 0.00 59.98 60.70 3ky9 h ARG 323 Cb 0.37 0.20 -0.18 0.00 0.08 0.00 0.00 29.97 30.44 3ky9 h ARG 323 CO -0.13 -0.60 -0.10 -0.25 -1.07 0.00 0.00 179.97 177.82 3ky9 n ASP 324 N -5.53 -0.22 0.07 7.04 10.43 -0.84 -1.30 116.55 126.19 3ky9 n ASP 324 Ca -0.12 1.68 -0.08 0.00 2.57 0.00 0.00 54.79 58.84 3ky9 n ASP 324 Cb 0.42 -0.56 0.05 0.00 1.84 0.00 0.00 41.12 42.87 3ky9 n ASP 324 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3ky9 h LEU 325 N 0.00 0.37 -1.92 0.64 3.38 -0.86 -2.98 115.31 113.94 3ky9 h LEU 325 Ca 0.54 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3ky9 h LEU 325 Cb 0.99 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3ky9 h LEU 325 CO -0.97 0.97 -0.04 -0.07 0.09 0.00 0.00 178.44 178.42 3ky9 h LEU 326 N 0.20 0.00 -0.42 1.67 3.38 0.07 -1.19 115.31 119.02 3ky9 h LEU 326 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ky9 h LEU 326 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3ky9 h LEU 326 CO 0.12 0.04 0.00 0.23 0.09 0.00 0.00 178.44 178.92 3ky9 n MET 327 N -4.48 0.20 -0.05 1.13 2.81 -1.09 -4.00 117.12 111.64 3ky9 n MET 327 Ca -0.03 0.33 -0.13 0.00 -1.81 0.00 0.00 57.70 56.06 3ky9 n MET 327 Cb 0.13 -1.82 -0.08 0.00 -0.71 0.00 0.00 33.22 30.75 3ky9 n MET 327 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3ky9 h VAL 328 N 0.00 1.36 -0.71 2.03 2.07 -1.29 -3.15 116.25 116.57 3ky9 h VAL 328 Ca 0.00 -1.38 0.12 0.00 0.82 0.00 0.00 66.70 66.26 3ky9 h VAL 328 Cb 0.47 1.97 -0.09 0.00 -1.52 0.00 0.00 31.29 32.13 3ky9 h VAL 328 CO 0.00 0.40 0.28 -0.65 0.02 0.00 0.00 177.57 177.63 3ky9 h PRO 329 N -0.06 0.44 -0.93 1.57 0.11 -1.72 0.56 132.00 131.96 3ky9 h PRO 329 Ca 0.01 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.23 3ky9 h PRO 329 Cb 0.73 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 31.66 3ky9 h PRO 329 CO 0.04 0.29 0.59 0.52 -0.21 0.00 0.00 178.00 179.23 3ky9 h MET 330 N 0.45 0.78 0.13 1.05 2.86 -1.77 -1.82 114.93 116.61 3ky9 h MET 330 Ca 0.38 -0.05 -0.30 0.00 -2.06 0.00 0.00 59.70 57.67 3ky9 h MET 330 Cb 0.53 -0.18 0.03 0.00 0.06 0.00 0.00 31.60 32.04 3ky9 h MET 330 CO -0.36 0.52 -1.25 1.96 1.06 0.00 0.00 176.91 178.83 3ky9 h GLN 331 N 0.80 0.55 -0.15 1.72 1.08 -1.23 -3.30 115.11 114.58 3ky9 h GLN 331 Ca 0.47 -0.77 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 3ky9 h GLN 331 Cb 0.64 0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 3ky9 h GLN 331 CO -0.23 1.34 0.05 -0.09 -0.95 0.00 0.00 178.83 178.95 3ky9 h ARG 332 N 0.23 0.24 -0.30 1.46 9.65 -0.11 -2.71 114.38 122.84 3ky9 h ARG 332 Ca -0.18 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.64 3ky9 h ARG 332 Cb 1.93 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 30.46 3ky9 h ARG 332 CO 0.23 0.35 0.16 -0.24 2.80 0.00 0.00 179.97 183.27 3ky9 h VAL 333 N 0.08 1.10 0.00 0.20 3.04 -1.55 0.54 116.25 119.66 3ky9 h VAL 333 Ca 0.05 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3ky9 h VAL 333 Cb 0.21 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 3ky9 h VAL 333 CO -0.00 0.11 0.00 0.18 -1.01 0.00 0.00 177.57 176.85 3ky9 n LEU 334 N -4.45 0.35 0.06 3.16 4.77 -1.04 -3.71 117.00 116.15 3ky9 n LEU 334 Ca 0.01 0.59 0.04 0.00 -0.03 0.00 0.00 56.01 56.62 3ky9 n LEU 334 Cb 0.10 -0.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 3ky9 n LEU 334 CO 0.36 -0.42 -0.16 0.11 -1.33 0.00 0.00 177.39 175.94 3ky9 h LYS 335 N 0.00 0.00 0.23 3.23 1.79 -0.74 -3.41 116.57 117.67 3ky9 h LYS 335 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3ky9 h LYS 335 Cb 0.30 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 3ky9 h LYS 335 CO 0.00 0.18 -0.39 1.88 -1.08 0.00 0.00 179.45 180.05 3ky9 h TYR 336 N 0.00 -1.06 -0.99 -1.35 0.05 -1.64 -0.61 116.97 111.37 3ky9 h TYR 336 Ca -0.10 0.02 0.21 0.00 0.05 0.00 0.00 58.73 58.91 3ky9 h TYR 336 Cb 1.36 0.44 -0.09 0.00 1.01 0.00 0.00 36.73 39.45 3ky9 h TYR 336 CO 0.00 -0.51 0.62 1.12 -1.05 0.00 0.00 178.16 178.34 3ky9 h HIS 337 N -0.69 0.83 -0.67 4.88 2.07 -1.78 -0.99 115.15 118.80 3ky9 h HIS 337 Ca 0.00 0.03 -0.08 0.00 -2.85 0.00 0.00 60.37 57.47 3ky9 h HIS 337 Cb 0.67 -0.25 -0.03 0.00 2.57 0.00 0.00 27.41 30.38 3ky9 h HIS 337 CO -0.29 0.17 0.09 -0.07 -3.07 0.00 0.00 177.93 174.76 3ky9 h LEU 338 N 0.58 1.07 -0.36 6.12 3.38 -1.41 0.26 115.31 124.96 3ky9 h LEU 338 Ca 0.56 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 3ky9 h LEU 338 Cb 1.13 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3ky9 h LEU 338 CO -0.31 1.07 -0.06 -0.07 0.09 0.00 0.00 178.44 179.16 3ky9 h LEU 339 N 1.04 0.67 -0.73 1.67 3.38 -0.05 -2.83 115.31 118.46 3ky9 h LEU 339 Ca 0.20 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 3ky9 h LEU 339 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ky9 h LEU 339 CO 0.02 0.86 -0.50 -0.07 0.09 0.00 0.00 178.44 178.84 3ky9 h LEU 340 N 0.47 0.38 -0.92 1.67 3.38 -1.08 -1.28 115.31 117.92 3ky9 h LEU 340 Ca 0.09 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3ky9 h LEU 340 Cb 0.55 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 3ky9 h LEU 340 CO 0.03 0.81 0.57 -0.61 0.09 0.00 0.00 178.44 179.34 3ky9 h GLN 341 N 0.28 0.96 0.03 1.13 4.15 -0.36 -0.25 115.11 121.05 3ky9 h GLN 341 Ca 0.01 -0.06 -0.23 0.00 0.77 0.00 0.00 58.65 59.15 3ky9 h GLN 341 Cb 0.97 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 3ky9 h GLN 341 CO 0.08 0.64 -1.09 1.49 -1.93 0.00 0.00 178.83 178.02 3ky9 h GLU 342 N 0.99 0.06 0.00 1.69 4.57 -1.28 -2.88 114.58 117.73 3ky9 h GLU 342 Ca 0.42 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.44 3ky9 h GLU 342 Cb 0.29 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3ky9 h GLU 342 CO -0.21 1.03 -0.27 1.25 -1.18 0.00 0.00 179.01 179.63 3ky9 h LEU 343 N 0.02 0.00 -0.35 1.64 5.85 -0.73 -2.80 115.31 118.94 3ky9 h LEU 343 Ca -0.05 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.49 3ky9 h LEU 343 Cb 1.83 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.84 3ky9 h LEU 343 CO 0.14 0.27 -0.83 0.58 -0.34 0.00 0.00 178.44 178.26 3ky9 h VAL 344 N 0.00 1.56 0.00 1.05 2.07 -0.98 -2.78 116.25 117.17 3ky9 h VAL 344 Ca -0.00 -2.73 -0.02 0.00 0.82 0.00 0.00 66.70 64.76 3ky9 h VAL 344 Cb 0.51 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3ky9 h VAL 344 CO 0.03 0.78 -0.10 0.11 0.02 0.00 0.00 177.57 178.42 3ky9 h LYS 345 N 0.03 0.00 -0.09 1.57 1.57 -1.27 -3.10 116.57 115.27 3ky9 h LYS 345 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ky9 h LYS 345 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3ky9 h LYS 345 CO 0.11 0.10 0.00 0.72 -0.57 0.00 0.00 179.45 179.82 3ky9 n HIS 346 N -3.54 0.12 -3.35 -1.35 8.25 -1.18 -4.84 115.22 109.33 3ky9 n HIS 346 Ca -0.02 -0.31 -0.44 0.00 -0.26 0.00 0.00 57.72 56.69 3ky9 n HIS 346 Cb 0.24 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.77 5.18 0.04 1.59 2.01 -1.05 -4.59 115.64 118.04 3ky9 s THR 347 Ca 0.08 -1.02 0.07 0.00 0.31 0.00 0.00 61.69 61.13 3ky9 s THR 347 Cb 0.05 -4.17 -0.23 0.00 0.01 0.00 0.00 72.50 68.16 3ky9 s THR 347 CO 0.06 -0.64 0.98 0.06 -0.69 0.00 0.00 174.62 174.39 3ky9 h GLN 348 N 8.80 0.06 -6.63 4.92 3.07 -1.88 -3.41 115.11 120.03 3ky9 h GLN 348 Ca -0.28 -0.10 -0.58 0.00 0.09 0.00 0.00 58.65 57.78 3ky9 h GLN 348 Cb 1.11 0.04 0.09 0.00 0.08 0.00 0.00 27.48 28.80 3ky9 h GLN 348 CO 0.90 0.86 0.53 -1.91 0.09 0.00 0.00 178.83 179.30 3ky9 n GLU 349 N -3.27 2.00 -0.05 0.06 2.13 -1.26 -4.90 120.64 115.35 3ky9 n GLU 349 Ca -0.09 0.71 -0.11 0.00 0.66 0.00 0.00 57.16 58.32 3ky9 n GLU 349 Cb 1.00 -2.31 -0.06 0.00 0.27 0.00 0.00 31.44 30.34 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 3.43 0.21 -0.19 4.31 0.00 -2.01 -2.18 119.26 122.84 3ky9 h ALA 350 Ca -0.45 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 3ky9 h ALA 350 Cb 1.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3ky9 h ALA 350 CO 0.70 -0.12 -0.44 1.98 0.00 0.00 0.00 179.25 181.36 3ky9 h MET 351 N 0.05 0.47 0.04 0.00 1.85 -1.99 -3.14 114.93 112.21 3ky9 h MET 351 Ca 0.05 -0.25 -0.00 0.00 -0.61 0.00 0.00 59.70 58.89 3ky9 h MET 351 Cb 0.31 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.34 3ky9 h MET 351 CO 0.00 0.82 -0.07 0.93 -0.40 0.00 0.00 176.91 178.20 3ky9 h GLU 352 N 0.38 -0.11 -0.98 0.39 4.39 -1.93 -3.24 114.58 113.49 3ky9 h GLU 352 Ca 0.03 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.84 3ky9 h GLU 352 Cb 0.93 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.48 3ky9 h GLU 352 CO 0.08 -0.08 -0.52 1.63 -1.16 0.00 0.00 179.01 178.97 3ky9 n LYS 353 N -2.76 -0.37 0.19 2.33 5.02 -0.83 -0.68 118.16 121.07 3ky9 n LYS 353 Ca -0.01 1.48 0.13 0.00 -2.02 0.00 0.00 58.31 57.90 3ky9 n LYS 353 Cb 0.06 -2.19 0.66 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.63 -0.01 114.58 119.73 3ky9 h GLU 354 Ca 0.21 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 3ky9 h GLU 354 Cb 0.46 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3ky9 h GLU 354 CO -0.93 0.00 -0.62 -0.91 -0.73 0.00 0.00 179.01 175.81 3ky9 h ASN 355 N 0.00 0.00 -0.20 1.04 2.35 -0.92 -3.22 115.58 114.63 3ky9 h ASN 355 Ca 0.00 -0.69 0.05 0.00 -0.55 0.00 0.00 56.30 55.12 3ky9 h ASN 355 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3ky9 h ASN 355 CO 0.00 1.21 0.14 -0.07 -1.65 0.00 0.00 177.43 177.06 3ky9 h LEU 356 N -1.00 0.02 -1.16 1.61 3.38 -1.00 0.25 115.31 117.40 3ky9 h LEU 356 Ca -0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3ky9 h LEU 356 Cb 1.09 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ky9 h LEU 356 CO -0.10 0.01 0.00 0.03 0.09 0.00 0.00 178.44 178.47 3ky9 h ARG 357 N 0.02 0.00 -0.03 1.13 3.08 -1.14 0.19 114.38 117.63 3ky9 h ARG 357 Ca 0.09 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3ky9 h ARG 357 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3ky9 h ARG 357 CO -0.00 0.00 -0.14 -0.07 -1.07 0.00 0.00 179.97 178.69 3ky9 h LEU 358 N 0.00 0.18 -0.64 3.04 3.38 -0.52 -1.24 115.31 119.51 3ky9 h LEU 358 Ca 0.00 -0.64 -0.07 0.00 0.09 0.00 0.00 57.88 57.26 3ky9 h LEU 358 Cb 0.58 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3ky9 h LEU 358 CO 0.00 0.80 0.14 0.00 0.09 0.00 0.00 178.44 179.47 3ky9 h ALA 359 N 0.39 0.84 -0.98 1.53 0.00 -1.25 -1.82 119.26 117.98 3ky9 h ALA 359 Ca -0.01 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3ky9 h ALA 359 Cb 0.79 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 3ky9 h ALA 359 CO 0.03 0.57 0.63 1.25 0.00 0.00 0.00 179.25 181.74 3ky9 h LEU 360 N 0.95 1.00 -1.36 0.00 5.85 -0.71 0.82 115.31 121.86 3ky9 h LEU 360 Ca 0.20 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3ky9 h LEU 360 Cb 0.38 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3ky9 h LEU 360 CO 0.01 0.63 0.14 0.44 -0.34 0.00 0.00 178.44 179.31 3ky9 h ASP 361 N 1.13 0.52 0.29 1.25 3.32 -0.76 -1.16 116.42 121.00 3ky9 h ASP 361 Ca 0.42 -0.06 -0.25 0.00 0.02 0.00 0.00 57.03 57.17 3ky9 h ASP 361 Cb 0.19 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.62 3ky9 h ASP 361 CO -0.17 0.49 -1.02 0.00 -1.72 0.00 0.00 179.24 176.82 3ky9 h ALA 362 N 1.59 0.26 0.00 3.45 0.00 -0.27 -2.57 119.26 121.71 3ky9 h ALA 362 Ca 0.14 -0.73 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 3ky9 h ALA 362 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ky9 h ALA 362 CO -0.01 0.80 -0.70 0.52 0.00 0.00 0.00 179.25 179.86 3ky9 h MET 363 N 0.24 0.00 -0.29 0.00 2.86 -0.82 -1.59 114.93 115.34 3ky9 h MET 363 Ca -0.10 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.35 3ky9 h MET 363 Cb 1.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.34 3ky9 h MET 363 CO 0.18 0.34 -0.53 -0.09 1.06 0.00 0.00 176.91 177.87 3ky9 h ARG 364 N 0.00 0.87 -0.64 1.72 2.43 -1.27 -1.40 114.38 116.10 3ky9 h ARG 364 Ca -0.04 -0.55 -0.06 0.00 -0.81 0.00 0.00 59.98 58.52 3ky9 h ARG 364 Cb 1.35 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.93 3ky9 h ARG 364 CO 0.05 1.19 0.16 0.22 -1.51 0.00 0.00 179.97 180.07 3ky9 h ASP 365 N 0.66 0.96 0.16 -3.80 3.58 -1.41 0.23 116.42 116.80 3ky9 h ASP 365 Ca 0.02 -0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.25 3ky9 h ASP 365 Cb 1.14 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.90 3ky9 h ASP 365 CO 0.12 0.95 -0.44 0.25 -2.88 0.00 0.00 179.24 177.24 3ky9 h LEU 366 N 0.94 -1.28 -1.27 2.28 5.85 -1.26 0.00 115.31 120.57 3ky9 h LEU 366 Ca 0.20 0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.06 3ky9 h LEU 366 Cb 0.36 0.47 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3ky9 h LEU 366 CO 0.00 -0.51 0.49 0.00 -0.34 0.00 0.00 178.44 178.08 3ky9 h ALA 367 N -0.27 1.47 -0.82 1.25 0.00 -0.89 -1.23 119.26 118.77 3ky9 h ALA 367 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ky9 h ALA 367 Cb 0.71 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3ky9 h ALA 367 CO -0.23 0.49 0.40 1.96 0.00 0.00 0.00 179.25 181.87 3ky9 h GLN 368 N 1.01 1.18 0.10 0.00 4.20 -0.06 -0.25 115.11 121.29 3ky9 h GLN 368 Ca 0.27 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3ky9 h GLN 368 Cb -0.11 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.45 3ky9 h GLN 368 CO -0.06 0.90 -0.06 0.00 -0.67 0.00 0.00 178.83 178.95 3ky9 h VAL 370 N -0.15 0.90 -0.81 0.00 2.07 -1.14 -0.09 116.25 117.03 3ky9 h VAL 370 Ca -0.01 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.40 3ky9 h VAL 370 Cb 0.12 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 3ky9 h VAL 370 CO 0.01 0.08 0.53 0.78 0.02 0.00 0.00 177.57 179.00 3ky9 h ASN 371 N 0.46 0.83 -0.56 0.57 2.35 -0.80 0.91 115.58 119.35 3ky9 h ASN 371 Ca 0.24 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 3ky9 h ASN 371 Cb 0.20 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3ky9 h ASN 371 CO -0.20 0.56 0.35 -0.33 -1.65 0.00 0.00 177.43 176.15 3ky9 h GLU 372 N 0.96 0.67 -0.82 0.81 4.39 0.62 -0.18 114.58 121.03 3ky9 h GLU 372 Ca 0.33 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.04 3ky9 h GLU 372 Cb 0.12 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 3ky9 h GLU 372 CO -0.11 0.44 0.51 0.28 -1.16 0.00 0.00 179.01 178.98 3ky9 h VAL 373 N 0.69 1.08 -0.42 3.13 2.07 -0.03 -1.67 116.25 121.10 3ky9 h VAL 373 Ca 0.22 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3ky9 h VAL 373 Cb -0.01 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 3ky9 h VAL 373 CO -0.08 0.18 0.21 0.11 0.02 0.00 0.00 177.57 178.01 3ky9 h LYS 374 N 0.97 0.59 -0.31 1.57 1.57 -0.09 -0.16 116.57 120.71 3ky9 h LYS 374 Ca 0.34 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3ky9 h LYS 374 Cb 0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3ky9 h LYS 374 CO -0.14 0.50 0.17 0.00 -0.57 0.00 0.00 179.45 179.41 3ky9 h ARG 375 N 0.54 0.34 -0.47 3.15 3.08 -0.80 -2.20 114.38 118.01 3ky9 h ARG 375 Ca 0.15 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3ky9 h ARG 375 Cb 0.09 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3ky9 h ARG 375 CO -0.02 0.23 -0.10 -0.44 -1.07 0.00 0.00 179.97 178.57 3ky9 h ASP 376 N 0.35 0.85 -0.61 7.04 3.32 -1.17 0.13 116.42 126.33 3ky9 h ASP 376 Ca 0.12 -0.26 0.12 0.00 0.02 0.00 0.00 57.03 57.03 3ky9 h ASP 376 Cb 0.01 -0.23 -0.12 0.00 0.22 0.00 0.00 39.33 39.21 3ky9 h ASP 376 CO -0.06 0.97 -0.22 0.78 -1.72 0.00 0.00 179.24 178.99 3ky9 h ASN 377 N 0.78 -0.78 0.05 6.45 -0.26 -0.85 -0.79 115.58 120.18 3ky9 h ASN 377 Ca 0.13 0.20 -0.00 0.00 -0.56 0.00 0.00 56.30 56.07 3ky9 h ASN 377 Cb 0.61 0.45 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 3ky9 h ASN 377 CO 0.04 -0.25 -0.02 -0.08 -1.06 0.00 0.00 177.43 176.06 3ky9 h GLU 378 N -0.06 -0.06 -0.84 0.81 4.57 -0.64 -2.53 114.58 115.83 3ky9 h GLU 378 Ca 0.28 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 58.68 3ky9 h GLU 378 Cb 0.50 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 28.96 3ky9 h GLU 378 CO -0.66 0.28 0.14 1.15 -1.18 0.00 0.00 179.01 178.74 3ky9 h THR 379 N -0.40 0.31 0.00 0.32 2.02 -0.59 0.30 112.91 114.86 3ky9 h THR 379 Ca -0.01 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 3ky9 h THR 379 Cb 0.37 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3ky9 h THR 379 CO 0.01 0.03 -0.20 -0.07 0.37 0.00 0.00 175.52 175.66 3ky9 h LEU 380 N 0.16 0.00 -0.15 2.58 3.38 -0.88 -0.75 115.31 119.65 3ky9 h LEU 380 Ca 0.50 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.37 3ky9 h LEU 380 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3ky9 h LEU 380 CO -0.67 0.20 -0.31 0.03 0.09 0.00 0.00 178.44 177.77 3ky9 h ARG 381 N 0.00 0.49 -0.81 1.13 3.08 -0.02 -1.70 114.38 116.54 3ky9 h ARG 381 Ca -0.00 -0.32 0.05 0.00 0.07 0.00 0.00 59.98 59.78 3ky9 h ARG 381 Cb 0.39 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 3ky9 h ARG 381 CO 0.03 0.92 0.50 1.96 -1.07 0.00 0.00 179.97 182.31 3ky9 h GLN 382 N 0.11 0.91 -0.34 0.04 4.20 -0.69 -0.08 115.11 119.25 3ky9 h GLN 382 Ca 0.00 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3ky9 h GLN 382 Cb 0.91 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3ky9 h GLN 382 CO 0.07 0.60 -0.01 0.82 -0.67 0.00 0.00 178.83 179.64 3ky9 h ILE 383 N 0.93 1.26 -0.77 2.54 2.04 -1.09 -0.17 117.51 122.26 3ky9 h ILE 383 Ca 0.35 -0.99 0.06 0.00 1.00 0.00 0.00 64.86 65.28 3ky9 h ILE 383 Cb 0.13 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3ky9 h ILE 383 CO -0.16 0.33 0.50 0.74 0.00 0.00 0.00 178.15 179.56 3ky9 h THR 384 N 0.42 1.04 -0.23 -0.27 2.02 -0.94 -0.46 112.91 114.50 3ky9 h THR 384 Ca 0.10 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3ky9 h THR 384 Cb 0.47 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3ky9 h THR 384 CO 0.02 0.15 0.03 -1.13 0.37 0.00 0.00 175.52 174.96 3ky9 h ASN 385 N 0.83 0.37 -0.73 4.18 -0.73 0.08 -1.74 115.58 117.84 3ky9 h ASN 385 Ca 0.33 -0.27 -0.06 0.00 1.87 0.00 0.00 56.30 58.16 3ky9 h ASN 385 Cb 0.22 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.68 3ky9 h ASN 385 CO -0.11 0.54 0.21 -0.26 -0.37 0.00 0.00 177.43 177.44 3ky9 h PHE 386 N 0.18 1.19 -0.55 0.67 0.04 -0.68 -2.94 116.94 114.86 3ky9 h PHE 386 Ca 0.07 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 3ky9 h PHE 386 Cb 0.34 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 3ky9 h PHE 386 CO 0.02 0.95 0.17 0.37 -0.60 0.00 0.00 178.31 179.22 3ky9 h GLN 387 N 1.09 0.82 0.00 1.51 4.15 -0.83 -1.38 115.11 120.46 3ky9 h GLN 387 Ca 0.23 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3ky9 h GLN 387 Cb 0.33 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3ky9 h GLN 387 CO -0.00 0.71 0.00 -0.07 -1.93 0.00 0.00 178.83 177.54 3ky9 h LEU 388 N 0.80 0.00 -1.88 -2.39 3.38 -1.19 -3.10 115.31 110.92 3ky9 h LEU 388 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3ky9 h LEU 388 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ky9 h LEU 388 CO -0.01 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.32 3ky9 n SER 389 N -2.35 2.33 -4.27 -0.43 7.64 -0.83 -4.91 113.62 110.79 3ky9 n SER 389 Ca 0.04 -1.66 -0.37 0.00 1.01 0.00 0.00 58.87 57.88 3ky9 n SER 389 Cb 0.33 -0.07 -0.13 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.03 3.71 0.26 0.44 1.01 -0.58 -1.08 121.20 123.93 3ky9 s ILE 390 Ca 0.18 -1.07 -0.09 0.00 0.00 0.00 0.00 60.65 59.67 3ky9 s ILE 390 Cb 0.11 -3.06 -0.07 0.00 0.01 0.00 0.00 42.46 39.45 3ky9 s ILE 390 CO 0.16 -0.11 0.58 -1.61 0.00 0.00 0.00 174.94 173.96 3ky9 s GLU 391 N 1.40 3.78 -1.03 2.79 2.02 -0.13 -4.10 118.70 123.43 3ky9 s GLU 391 Ca -0.01 0.26 -0.03 0.00 0.02 0.00 0.00 54.97 55.21 3ky9 s GLU 391 Cb -0.19 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.44 3ky9 s GLU 391 CO 0.02 0.25 0.45 -1.71 0.02 0.00 0.00 175.26 174.29 3ky9 n ASN 392 N -0.42 -4.66 -4.09 -0.19 5.15 -1.26 -2.21 115.26 107.58 3ky9 n ASN 392 Ca 0.00 -0.21 -0.32 0.00 -0.60 0.00 0.00 54.58 53.45 3ky9 n ASN 392 Cb 0.53 -3.49 -0.15 0.00 -0.53 0.00 0.00 39.78 36.13 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 -4.69 3.10 0.00 1.20 0.20 -1.26 -4.66 118.68 112.58 3ky9 s LEU 393 Ca 0.22 -1.19 0.23 0.00 0.69 0.00 0.00 54.13 54.08 3ky9 s LEU 393 Cb -0.10 -1.54 0.20 0.00 -0.43 0.00 0.00 46.19 44.33 3ky9 s LEU 393 CO 0.28 -0.14 1.23 -0.90 -0.29 0.00 0.00 176.35 176.53 3ky9 n ASP 394 N 4.49 2.94 -4.43 3.68 5.75 -1.26 -4.93 116.55 122.79 3ky9 n ASP 394 Ca -0.16 -1.94 -0.25 0.00 -0.01 0.00 0.00 54.79 52.43 3ky9 n ASP 394 Cb 0.44 -0.03 -0.11 0.00 -1.03 0.00 0.00 41.12 40.39 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 -1.83 1.55 -0.02 0.11 0.74 -1.26 -5.11 119.66 113.85 3ky9 s GLN 395 Ca 0.28 -1.61 -0.30 0.00 0.05 0.00 0.00 55.36 53.77 3ky9 s GLN 395 Cb 0.19 -1.75 -0.04 0.00 1.10 0.00 0.00 33.01 32.52 3ky9 s GLN 395 CO 0.28 0.35 1.16 0.45 -0.55 0.00 0.00 175.29 176.98 3ky9 s SER 396 N -3.01 7.12 0.45 6.67 0.15 -1.26 -4.94 113.70 118.88 3ky9 s SER 396 Ca 0.24 1.83 0.10 0.00 0.70 0.00 0.00 55.95 58.83 3ky9 s SER 396 Cb -0.06 -2.57 1.00 0.00 -1.71 0.00 0.00 66.02 62.68 3ky9 s SER 396 CO 0.11 -0.49 2.08 -0.07 1.20 0.00 0.00 173.24 176.07 3ky9 h LEU 397 N 7.56 0.29 -0.94 3.45 3.38 -1.98 -2.76 115.31 124.31 3ky9 h LEU 397 Ca -0.37 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 57.78 3ky9 h LEU 397 Cb 1.18 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 3ky9 h LEU 397 CO 0.84 0.23 0.52 0.00 0.09 0.00 0.00 178.44 180.11 3ky9 h ALA 398 N 1.83 1.53 0.00 1.53 0.00 -1.92 0.99 119.26 123.22 3ky9 h ALA 398 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ky9 h ALA 398 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ky9 h ALA 398 CO -0.02 -0.15 0.23 0.45 0.00 0.00 0.00 179.25 179.76 3ky9 h HIS 399 N 0.63 0.00 -0.60 0.00 3.86 -1.90 -2.50 115.15 114.63 3ky9 h HIS 399 Ca 0.55 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.62 3ky9 h HIS 399 Cb 0.91 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.29 3ky9 h HIS 399 CO -0.05 0.00 0.15 0.66 0.86 0.00 0.00 177.93 179.55 3ky9 n TYR 400 N -2.82 2.02 -3.10 2.45 4.02 0.34 -4.99 117.16 115.09 3ky9 n TYR 400 Ca -0.02 -1.11 0.00 0.00 -0.01 0.00 0.00 57.90 56.76 3ky9 n TYR 400 Cb 0.28 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 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 -0.19 -1.37 3.80 2.72 0.00 -0.94 -1.74 105.19 107.47 3ky9 n GLY 401 Ca 0.35 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 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 3.01 0.22 1.61 1.70 -1.26 -4.71 118.95 119.52 3ky9 s ARG 402 Ca 0.00 -0.60 -0.32 0.00 -0.47 0.00 0.00 55.73 54.34 3ky9 s ARG 402 Cb 0.00 -2.81 -0.14 0.00 -0.57 0.00 0.00 34.95 31.44 3ky9 s ARG 402 CO 0.00 0.59 1.36 -2.30 -1.08 0.00 0.00 175.30 173.87 3ky9 n PRO 403 N 0.62 1.85 -0.09 3.89 -0.02 -1.26 -2.45 135.00 137.54 3ky9 n PRO 403 Ca -0.09 0.66 -0.17 0.00 -2.02 0.00 0.00 63.50 61.88 3ky9 n PRO 403 Cb 0.52 -2.28 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.99 0.39 -3.61 -0.52 4.76 -0.05 -4.92 118.16 116.19 3ky9 n LYS 404 Ca 0.12 0.14 -0.10 0.00 -2.87 0.00 0.00 58.31 55.61 3ky9 n LYS 404 Cb 0.30 -1.20 -0.06 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.33 0.00 0.01 -0.18 2.07 -1.22 -4.91 121.20 114.64 3ky9 s ILE 405 Ca -0.24 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.00 3ky9 s ILE 405 Cb 0.08 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 3ky9 s ILE 405 CO 0.34 0.00 -0.02 1.51 -1.91 0.00 0.00 174.94 174.86 3ky9 s ASP 406 N -0.32 0.18 0.00 4.50 -4.77 -0.90 -1.61 116.67 113.75 3ky9 s ASP 406 Ca 0.01 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.02 3ky9 s ASP 406 Cb -0.03 0.04 0.00 0.00 -1.09 0.00 0.00 42.92 41.84 3ky9 s ASP 406 CO -0.03 -0.13 0.00 0.61 0.70 0.00 0.00 175.17 176.32 3ky9 n GLY 407 N 2.37 -1.27 3.73 2.12 0.00 -0.69 -1.87 105.19 109.57 3ky9 n GLY 407 Ca -0.18 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.39 4.24 0.10 1.61 2.02 -1.26 -1.12 118.70 123.90 3ky9 s GLU 408 Ca 0.00 -0.00 0.02 0.00 0.02 0.00 0.00 54.97 55.01 3ky9 s GLU 408 Cb 0.00 -3.43 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 3ky9 s GLU 408 CO 0.00 0.25 0.08 1.47 0.02 0.00 0.00 175.26 177.08 3ky9 n LEU 409 N 3.60 0.00 -4.02 1.80 -0.00 -0.75 -4.86 117.00 112.76 3ky9 n LEU 409 Ca -0.13 -0.96 -0.25 0.00 -0.00 0.00 0.00 56.01 54.67 3ky9 n LEU 409 Cb 0.52 0.48 -0.17 0.00 -0.00 0.00 0.00 43.42 44.26 3ky9 n LEU 409 CO 0.39 -0.16 -0.47 -0.54 -0.00 0.00 0.00 177.39 176.61 3ky9 s LYS 410 N -2.42 1.74 0.16 1.47 1.02 -0.96 -1.80 119.74 118.95 3ky9 s LYS 410 Ca 0.11 -0.42 0.09 0.00 0.02 0.00 0.00 55.97 55.78 3ky9 s LYS 410 Cb 0.01 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.81 3ky9 s LYS 410 CO 0.08 0.00 -0.14 0.42 -0.92 0.00 0.00 175.35 174.79 3ky9 s ILE 411 N 0.75 2.97 0.04 2.17 1.01 -0.22 -0.33 121.20 127.60 3ky9 s ILE 411 Ca -0.13 -1.65 0.04 0.00 0.00 0.00 0.00 60.65 58.91 3ky9 s ILE 411 Cb -0.16 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3ky9 s ILE 411 CO 0.03 -0.04 -0.12 0.42 0.00 0.00 0.00 174.94 175.23 3ky9 s THR 412 N -1.51 0.92 0.00 2.92 -4.23 -1.10 -1.69 115.64 110.95 3ky9 s THR 412 Ca 0.22 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 3ky9 s THR 412 Cb -0.09 -0.87 0.00 0.00 1.34 0.00 0.00 72.50 72.88 3ky9 s THR 412 CO 0.13 -0.10 0.00 -1.54 -0.54 0.00 0.00 174.62 172.57 3ky9 n SER 413 N 1.82 0.00 -1.90 3.99 3.41 -1.26 -1.51 113.62 118.18 3ky9 n SER 413 Ca -0.19 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.38 3ky9 n SER 413 Cb 0.55 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.81 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 2.88 -0.53 -3.33 0.24 -1.26 -4.11 118.33 112.22 3ky9 n VAL 414 Ca 0.00 -1.68 0.00 0.00 -2.04 0.00 0.00 64.34 60.62 3ky9 n VAL 414 Cb 0.00 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 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 -0.13 0.15 0.00 7.34 0.28 -1.26 -5.11 120.64 121.91 3ky9 n GLU 415 Ca 0.38 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 3ky9 n GLU 415 Cb 1.33 -0.31 0.00 0.00 1.43 0.00 0.00 31.44 33.89 3ky9 n GLU 415 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3ky9 n ARG 416 N -0.03 0.08 0.00 3.44 5.12 -1.26 -5.22 116.66 118.79 3ky9 n ARG 416 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3ky9 n ARG 416 Cb 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.43 3ky9 n ARG 416 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3ky9 n MET 420 N 0.00 0.00 -2.39 5.56 2.00 -0.68 -4.02 117.12 117.59 3ky9 n MET 420 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 3ky9 n MET 420 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 3ky9 n MET 420 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3ky9 s ASP 421 N 0.00 7.03 0.10 7.83 -0.00 -1.26 -1.05 116.67 129.32 3ky9 s ASP 421 Ca 0.00 2.01 -0.04 0.00 -0.00 0.00 0.00 52.55 54.51 3ky9 s ASP 421 Cb 0.00 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 40.32 3ky9 s ASP 421 CO 0.00 -0.53 0.10 -0.13 -0.00 0.00 0.00 175.17 174.60 3ky9 s ARG 422 N 1.45 0.84 -0.12 8.23 1.81 -0.75 -4.93 118.95 125.48 3ky9 s ARG 422 Ca 0.59 -1.21 -0.05 0.00 -1.72 0.00 0.00 55.73 53.34 3ky9 s ARG 422 Cb -0.29 0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 3ky9 s ARG 422 CO 0.27 -0.24 0.06 -0.47 -0.68 0.00 0.00 175.30 174.25 3ky9 s TYR 423 N -3.95 3.32 -0.05 -0.53 5.04 0.12 -1.82 117.35 119.49 3ky9 s TYR 423 Ca 0.13 0.26 0.04 0.00 -2.44 0.00 0.00 57.07 55.05 3ky9 s TYR 423 Cb 0.06 -1.92 0.00 0.00 0.35 0.00 0.00 41.96 40.46 3ky9 s TYR 423 CO -0.05 0.46 -0.16 0.00 -1.34 0.00 0.00 175.55 174.46 3ky9 s ALA 424 N -0.57 1.43 -0.27 3.97 0.00 -0.28 0.21 121.76 126.26 3ky9 s ALA 424 Ca 0.11 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 3ky9 s ALA 424 Cb -0.12 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 3ky9 s ALA 424 CO 0.02 0.24 0.08 -0.06 0.00 0.00 0.00 175.76 176.04 3ky9 s PHE 425 N 0.16 3.11 -0.18 0.00 0.08 -0.70 -1.70 117.98 118.75 3ky9 s PHE 425 Ca -0.06 -0.62 -0.12 0.00 0.12 0.00 0.00 56.93 56.25 3ky9 s PHE 425 Cb -0.12 -2.26 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 3ky9 s PHE 425 CO 0.02 -0.44 0.24 -1.17 -0.10 0.00 0.00 175.22 173.77 3ky9 s LEU 426 N 1.58 4.22 0.28 -0.37 2.96 -0.63 -0.28 118.68 126.44 3ky9 s LEU 426 Ca 0.05 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.42 3ky9 s LEU 426 Cb -0.16 -2.27 -0.06 0.00 0.50 0.00 0.00 46.19 44.20 3ky9 s LEU 426 CO 0.04 0.11 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.35 3ky9 s LEU 427 N 0.52 2.49 0.34 -0.68 1.02 0.28 -0.87 118.68 121.77 3ky9 s LEU 427 Ca 0.13 -1.18 0.12 0.00 0.02 0.00 0.00 54.13 53.22 3ky9 s LEU 427 Cb -0.12 -0.65 1.05 0.00 0.02 0.00 0.00 46.19 46.49 3ky9 s LEU 427 CO 0.02 -0.33 1.61 0.44 0.02 0.00 0.00 176.35 178.11 3ky9 h ASP 428 N 2.28 0.17 -0.14 2.29 3.32 -1.45 -2.31 116.42 120.58 3ky9 h ASP 428 Ca -0.40 0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3ky9 h ASP 428 Cb 1.23 0.27 0.00 0.00 0.22 0.00 0.00 39.33 41.06 3ky9 h ASP 428 CO 0.67 -0.29 0.00 0.29 -1.72 0.00 0.00 179.24 178.19 3ky9 n LYS 429 N -5.24 1.44 -3.63 3.56 5.02 -0.71 -4.45 118.16 114.15 3ky9 n LYS 429 Ca 0.30 -1.46 -0.11 0.00 -2.02 0.00 0.00 58.31 55.03 3ky9 n LYS 429 Cb 0.99 -1.20 -0.07 0.00 -0.02 0.00 0.00 35.03 34.73 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 -0.88 -1.91 -0.26 7.82 0.00 -0.87 -2.54 121.76 123.12 3ky9 s ALA 430 Ca 0.15 1.90 -0.08 0.00 0.00 0.00 0.00 51.96 53.92 3ky9 s ALA 430 Cb 0.09 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 3ky9 s ALA 430 CO 0.12 -0.27 0.10 -1.17 0.00 0.00 0.00 175.76 174.54 3ky9 s LEU 431 N 0.19 3.61 -0.55 0.00 2.96 -0.44 -0.56 118.68 123.89 3ky9 s LEU 431 Ca 0.02 -0.21 -0.19 0.00 -0.22 0.00 0.00 54.13 53.53 3ky9 s LEU 431 Cb -0.05 -1.97 0.09 0.00 0.50 0.00 0.00 46.19 44.76 3ky9 s LEU 431 CO -0.04 -0.06 0.64 -0.76 -1.32 0.00 0.00 176.35 174.82 3ky9 s LEU 432 N 1.64 5.31 0.04 -0.68 1.43 0.62 -0.62 118.68 126.42 3ky9 s LEU 432 Ca 0.06 -1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 51.61 3ky9 s LEU 432 Cb -0.15 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3ky9 s LEU 432 CO 0.05 -0.98 0.93 -0.63 0.23 0.00 0.00 176.35 175.95 3ky9 s ILE 433 N 2.51 4.73 0.11 -0.59 -1.09 -0.87 -1.72 121.20 124.29 3ky9 s ILE 433 Ca 0.12 1.97 -0.06 0.00 -2.23 0.00 0.00 60.65 60.44 3ky9 s ILE 433 Cb -0.23 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.36 3ky9 s ILE 433 CO 0.08 0.25 0.15 0.00 -1.23 0.00 0.00 174.94 174.19 3ky9 s LYS 435 N -3.93 2.87 0.03 0.00 2.20 -0.30 0.13 119.74 120.73 3ky9 s LYS 435 Ca 0.12 -0.94 -0.30 0.00 -0.36 0.00 0.00 55.97 54.48 3ky9 s LYS 435 Cb 0.05 -2.89 -0.05 0.00 -1.51 0.00 0.00 37.83 33.44 3ky9 s LYS 435 CO -0.06 -0.35 1.15 0.50 -0.36 0.00 0.00 175.35 176.23 3ky9 s ARG 436 N 1.31 4.45 -0.66 4.03 3.52 -1.26 -1.78 118.95 128.56 3ky9 s ARG 436 Ca 0.01 1.67 0.05 0.00 -0.13 0.00 0.00 55.73 57.33 3ky9 s ARG 436 Cb -0.16 -3.40 0.17 0.00 -1.56 0.00 0.00 34.95 30.00 3ky9 s ARG 436 CO -0.06 -0.23 0.47 0.50 -0.81 0.00 0.00 175.30 175.16 3ky9 s ARG 437 N 1.21 2.25 6.10 5.12 3.52 0.12 -4.98 118.95 132.30 3ky9 s ARG 437 Ca 0.57 -3.18 0.00 0.00 -0.13 0.00 0.00 55.73 52.99 3ky9 s ARG 437 Cb -0.27 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 3ky9 s ARG 437 CO 0.28 -1.30 0.00 0.41 -0.81 0.00 0.00 175.30 173.88 3ky9 n GLY 438 N 2.10 1.64 0.44 8.12 0.00 -1.26 -2.43 105.19 113.80 3ky9 n GLY 438 Ca 0.21 -0.10 0.10 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 10.49 1.89 -4.67 1.61 9.92 -1.26 -4.94 116.55 129.59 3ky9 n ASP 439 Ca 0.00 -1.45 -0.29 0.00 -0.53 0.00 0.00 54.79 52.52 3ky9 n ASP 439 Cb 0.00 0.52 -0.08 0.00 -0.64 0.00 0.00 41.12 40.92 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 -2.43 4.91 -0.15 -2.24 1.04 -1.02 -4.92 113.70 108.89 3ky9 s SER 440 Ca 0.17 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.37 3ky9 s SER 440 Cb 0.17 -1.12 0.02 0.00 0.10 0.00 0.00 66.02 65.19 3ky9 s SER 440 CO 0.57 0.16 -0.17 -0.31 0.98 0.00 0.00 173.24 174.46 3ky9 s TYR 441 N -1.37 2.43 -0.22 5.02 2.02 -0.25 0.16 117.35 125.14 3ky9 s TYR 441 Ca 0.26 -1.35 -0.17 0.00 -0.37 0.00 0.00 57.07 55.44 3ky9 s TYR 441 Cb -0.11 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 3ky9 s TYR 441 CO 0.18 -0.69 0.44 -0.51 -1.57 0.00 0.00 175.55 173.41 3ky9 s ASP 442 N 1.26 6.45 -0.72 2.29 1.01 -0.73 -0.96 116.67 125.27 3ky9 s ASP 442 Ca 0.02 0.53 -0.26 0.00 0.71 0.00 0.00 52.55 53.55 3ky9 s ASP 442 Cb -0.14 -2.25 0.01 0.00 1.01 0.00 0.00 42.92 41.55 3ky9 s ASP 442 CO -0.09 -0.15 1.56 -0.22 0.21 0.00 0.00 175.17 176.48 3ky9 s LEU 443 N 1.62 3.23 0.21 1.23 2.96 -0.94 -1.15 118.68 125.84 3ky9 s LEU 443 Ca 0.20 -0.21 0.18 0.00 -0.22 0.00 0.00 54.13 54.08 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 -2.08 1.18 0.11 -1.32 0.00 0.00 176.35 174.32 3ky9 h LYS 444 N 12.05 0.00 -0.73 1.98 1.79 -1.64 -3.45 116.57 126.57 3ky9 h LYS 444 Ca -0.22 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.31 3ky9 h LYS 444 Cb 1.09 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.55 3ky9 h LYS 444 CO 1.26 0.27 -0.28 0.34 -1.08 0.00 0.00 179.45 179.96 3ky9 s ASP 445 N -5.99 -1.17 0.14 0.86 3.68 -0.82 -5.02 116.67 108.36 3ky9 s ASP 445 Ca 0.01 -0.16 -0.30 0.00 2.13 0.00 0.00 52.55 54.23 3ky9 s ASP 445 Cb 0.08 1.62 -0.07 0.00 -1.45 0.00 0.00 42.92 43.10 3ky9 s ASP 445 CO 0.77 -0.18 1.21 0.12 0.13 0.00 0.00 175.17 177.22 3ky9 s PHE 446 N 2.46 3.42 -0.27 -5.34 5.36 -1.26 -2.05 117.98 120.30 3ky9 s PHE 446 Ca 0.16 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.51 3ky9 s PHE 446 Cb -0.05 -3.44 0.07 0.00 -0.34 0.00 0.00 43.02 39.26 3ky9 s PHE 446 CO -0.18 -1.30 -0.05 0.08 -1.46 0.00 0.00 175.22 172.31 3ky9 s VAL 447 N 0.34 1.88 -0.61 3.12 1.01 0.21 -4.98 120.40 121.37 3ky9 s VAL 447 Ca 0.55 -1.59 -0.27 0.00 0.00 0.00 0.00 61.98 60.67 3ky9 s VAL 447 Cb -0.32 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3ky9 s VAL 447 CO 0.34 -0.18 1.45 0.21 0.00 0.00 0.00 175.10 176.92 3ky9 s ASN 448 N 1.20 6.00 0.00 3.32 3.84 -1.26 -1.33 114.94 126.71 3ky9 s ASN 448 Ca -0.04 0.11 0.15 0.00 0.21 0.00 0.00 52.86 53.30 3ky9 s ASN 448 Cb -0.19 -2.55 0.89 0.00 -0.55 0.00 0.00 41.25 38.85 3ky9 s ASN 448 CO -0.07 -1.85 1.36 0.18 -2.79 0.00 0.00 177.10 173.93 3ky9 n LEU 449 N 10.03 0.00 -0.03 3.21 4.77 -1.05 -2.96 117.00 130.97 3ky9 n LEU 449 Ca 0.11 0.06 0.19 0.00 -0.03 0.00 0.00 56.01 56.35 3ky9 n LEU 449 Cb 0.50 -0.06 0.65 0.00 -2.33 0.00 0.00 43.42 42.18 3ky9 n LEU 449 CO 0.71 -0.03 1.19 0.45 -1.33 0.00 0.00 177.39 178.38 3ky9 h HIS 450 N 0.00 0.09 -0.02 -1.77 3.86 -1.90 -2.91 115.15 112.50 3ky9 h HIS 450 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ky9 h HIS 450 Cb 0.03 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3ky9 h HIS 450 CO 0.00 0.04 -0.25 0.43 0.86 0.00 0.00 177.93 179.01 3ky9 n SER 451 N -4.40 2.33 -4.71 2.45 7.64 -1.15 -5.00 113.62 110.78 3ky9 n SER 451 Ca 0.10 -1.67 -0.23 0.00 1.01 0.00 0.00 58.87 58.09 3ky9 n SER 451 Cb 0.59 0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.99 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 -2.12 2.80 0.02 1.43 0.08 -1.10 -3.58 117.98 115.51 3ky9 s PHE 452 Ca 0.21 -0.23 -0.09 0.00 0.12 0.00 0.00 56.93 56.94 3ky9 s PHE 452 Cb 0.18 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.28 3ky9 s PHE 452 CO 0.42 0.53 0.17 -0.65 -0.10 0.00 0.00 175.22 175.59 3ky9 s GLN 453 N -3.75 0.61 -0.07 0.44 -0.21 0.09 -4.95 119.66 111.82 3ky9 s GLN 453 Ca 0.33 -0.54 -0.15 0.00 0.02 0.00 0.00 55.36 55.03 3ky9 s GLN 453 Cb -0.06 0.25 -0.05 0.00 1.00 0.00 0.00 33.01 34.15 3ky9 s GLN 453 CO 0.22 -0.16 0.38 0.08 -2.12 0.00 0.00 175.29 173.68 3ky9 s VAL 454 N -2.09 5.16 -0.12 1.09 1.01 -1.26 -1.67 120.40 122.51 3ky9 s VAL 454 Ca -0.09 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 3ky9 s VAL 454 Cb -0.04 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.69 3ky9 s VAL 454 CO -0.01 0.48 0.04 -0.60 0.00 0.00 0.00 175.10 175.01 3ky9 s ARG 455 N -0.34 0.40 0.84 2.72 3.52 -0.29 -5.00 118.95 120.80 3ky9 s ARG 455 Ca 0.22 -0.04 -0.12 0.00 -0.13 0.00 0.00 55.73 55.66 3ky9 s ARG 455 Cb -0.15 -1.41 0.10 0.00 -1.56 0.00 0.00 34.95 31.92 3ky9 s ARG 455 CO 0.10 -0.48 1.10 0.34 -0.81 0.00 0.00 175.30 175.55 3ky9 s ASP 456 N 2.01 4.05 -0.32 -2.12 -1.08 -1.26 -0.21 116.67 117.73 3ky9 s ASP 456 Ca 0.03 1.30 -0.09 0.00 -0.52 0.00 0.00 52.55 53.27 3ky9 s ASP 456 Cb -0.14 -2.00 0.20 0.00 -1.46 0.00 0.00 42.92 39.52 3ky9 s ASP 456 CO -0.06 -2.25 1.11 -0.62 0.52 0.00 0.00 175.17 173.87 3ky9 s ASP 457 N -3.79 -0.20 -0.14 -0.34 -1.08 -1.25 -4.77 116.67 105.10 3ky9 s ASP 457 Ca 0.62 -0.17 -0.04 0.00 -0.52 0.00 0.00 52.55 52.44 3ky9 s ASP 457 Cb -0.15 0.26 -0.09 0.00 -1.46 0.00 0.00 42.92 41.47 3ky9 s ASP 457 CO 0.55 -0.01 2.95 -1.54 0.52 0.00 0.00 175.17 177.63 3ky9 n SER 458 N 3.04 5.68 0.13 -0.34 3.41 -1.26 -4.40 113.62 119.88 3ky9 n SER 458 Ca 0.08 -2.70 0.11 0.00 -0.26 0.00 0.00 58.87 56.11 3ky9 n SER 458 Cb 0.65 -1.28 0.50 0.00 -0.26 0.00 0.00 64.21 63.81 3ky9 n SER 458 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ky9 n SER 459 N 1.70 0.60 -0.09 4.04 3.41 -1.26 -1.29 113.62 120.74 3ky9 n SER 459 Ca 0.35 0.68 0.05 0.00 -0.26 0.00 0.00 58.87 59.69 3ky9 n SER 459 Cb 0.72 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 3ky9 n SER 459 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ky9 n GLY 460 N -0.35 -0.08 1.51 5.00 0.00 -1.26 -4.65 105.19 105.37 3ky9 n GLY 460 Ca 0.01 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.79 3ky9 n GLY 460 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ky9 n ASP 461 N -0.93 4.83 -0.06 1.61 2.03 -0.41 -4.08 116.55 119.54 3ky9 n ASP 461 Ca 0.03 -2.68 -0.20 0.00 0.52 0.00 0.00 54.79 52.46 3ky9 n ASP 461 Cb 0.20 -0.59 -0.13 0.00 -0.72 0.00 0.00 41.12 39.89 3ky9 n ASP 461 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3ky9 h ARG 462 N 3.53 0.08 -5.13 -0.67 3.08 -1.80 -3.43 114.38 110.05 3ky9 h ARG 462 Ca 0.00 -0.14 -0.62 0.00 0.07 0.00 0.00 59.98 59.29 3ky9 h ARG 462 Cb 1.58 0.05 -0.14 0.00 0.08 0.00 0.00 29.97 31.54 3ky9 h ARG 462 CO 0.30 1.07 -0.39 0.16 -1.07 0.00 0.00 179.97 180.04 3ky9 s ASP 463 N -6.80 6.19 -1.12 7.04 -4.77 -1.26 -5.02 116.67 110.93 3ky9 s ASP 463 Ca -0.24 0.20 -0.23 0.00 -3.30 0.00 0.00 52.55 48.98 3ky9 s ASP 463 Cb 0.04 -2.16 -0.06 0.00 -1.09 0.00 0.00 42.92 39.65 3ky9 s ASP 463 CO 0.67 -0.05 1.91 0.20 0.70 0.00 0.00 175.17 178.60 3ky9 s ASN 464 N 1.35 5.25 -0.24 2.11 -0.87 -1.26 -4.91 114.94 116.36 3ky9 s ASN 464 Ca 0.11 -1.48 -0.15 0.00 -1.57 0.00 0.00 52.86 49.77 3ky9 s ASN 464 Cb -0.15 -2.58 -0.04 0.00 -0.02 0.00 0.00 41.25 38.46 3ky9 s ASN 464 CO 0.08 -2.80 0.38 -0.54 -2.57 0.00 0.00 177.10 171.66 3ky9 s LYS 465 N 6.37 4.08 -0.25 -0.60 1.02 -1.26 -5.03 119.74 124.08 3ky9 s LYS 465 Ca 0.67 0.11 -0.37 0.00 0.02 0.00 0.00 55.97 56.40 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 0.09 -0.18 1.94 1.17 -0.92 0.00 0.00 175.35 177.45 3ky9 n LYS 466 N 4.98 1.44 -0.50 1.68 4.81 -1.26 -1.41 118.16 127.90 3ky9 n LYS 466 Ca -0.08 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 3ky9 n LYS 466 Cb 0.51 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.16 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 7.36 0.00 0.70 5.64 7.02 -0.84 -4.97 117.44 132.35 3ky9 n TRP 467 Ca 0.30 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.86 3ky9 n TRP 467 Cb 0.21 -0.12 -0.04 0.00 -2.42 0.00 0.00 31.31 28.94 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 0.48 1.14 -4.55 -0.99 3.41 -0.50 -4.54 113.62 108.07 3ky9 n SER 468 Ca 0.00 -1.07 -0.40 0.00 -0.26 0.00 0.00 58.87 57.14 3ky9 n SER 468 Cb 0.00 0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 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 -2.14 2.14 0.16 7.33 3.76 -1.25 -4.32 115.29 120.97 3ky9 s HIS 469 Ca 0.09 0.10 0.09 0.00 -0.15 0.00 0.00 55.06 55.20 3ky9 s HIS 469 Cb 0.12 -4.48 -0.04 0.00 1.11 0.00 0.00 32.58 29.29 3ky9 s HIS 469 CO 0.51 -2.11 -0.20 0.00 -0.85 0.00 0.00 174.74 172.08 3ky9 s MET 470 N 6.03 1.33 0.13 1.40 0.23 -1.26 -0.84 119.30 126.32 3ky9 s MET 470 Ca 0.45 -1.41 0.02 0.00 -1.03 0.00 0.00 55.69 53.72 3ky9 s MET 470 Cb -0.08 -1.50 -0.04 0.00 -1.53 0.00 0.00 34.83 31.67 3ky9 s MET 470 CO 0.13 0.32 -0.04 -0.59 -2.03 0.00 0.00 175.02 172.81 3ky9 s PHE 471 N -1.81 1.04 -0.09 3.16 -0.12 -1.06 -3.97 117.98 115.13 3ky9 s PHE 471 Ca 0.16 -0.95 -0.04 0.00 -0.05 0.00 0.00 56.93 56.04 3ky9 s PHE 471 Cb -0.07 -0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 41.69 3ky9 s PHE 471 CO 0.07 -0.17 0.09 -0.51 -0.05 0.00 0.00 175.22 174.66 3ky9 s LEU 472 N -3.10 4.08 -0.36 -1.99 1.43 0.71 -1.96 118.68 117.48 3ky9 s LEU 472 Ca 0.17 0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.58 3ky9 s LEU 472 Cb 0.05 -2.04 0.09 0.00 0.03 0.00 0.00 46.19 44.32 3ky9 s LEU 472 CO -0.01 0.38 0.11 -0.22 0.23 0.00 0.00 176.35 176.84 3ky9 s LEU 473 N -1.11 4.72 0.00 1.79 2.96 -0.06 -1.14 118.68 125.84 3ky9 s LEU 473 Ca 0.16 -1.81 0.07 0.00 -0.22 0.00 0.00 54.13 52.33 3ky9 s LEU 473 Cb -0.12 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3ky9 s LEU 473 CO 0.05 -0.42 -0.21 0.27 -1.32 0.00 0.00 176.35 174.73 3ky9 s ILE 474 N 1.13 1.63 -0.04 6.68 -4.36 -0.67 -1.47 121.20 124.11 3ky9 s ILE 474 Ca 0.04 -0.96 -0.19 0.00 -0.26 0.00 0.00 60.65 59.28 3ky9 s ILE 474 Cb -0.21 -1.37 -0.05 0.00 1.25 0.00 0.00 42.46 42.08 3ky9 s ILE 474 CO -0.04 0.39 0.52 -1.83 0.24 0.00 0.00 174.94 174.22 3ky9 s GLU 475 N -0.67 4.25 -0.23 0.37 -1.05 -1.19 -0.73 118.70 119.45 3ky9 s GLU 475 Ca 0.08 0.58 0.02 0.00 -0.15 0.00 0.00 54.97 55.50 3ky9 s GLU 475 Cb -0.08 -3.35 0.35 0.00 -0.44 0.00 0.00 34.13 30.61 3ky9 s GLU 475 CO -0.00 0.37 1.47 -3.47 0.95 0.00 0.00 175.26 174.58 3ky9 n ASP 476 N 2.84 3.39 -2.70 0.83 2.03 -1.23 -3.05 116.55 118.66 3ky9 n ASP 476 Ca -0.08 -2.83 -0.05 0.00 0.52 0.00 0.00 54.79 52.35 3ky9 n ASP 476 Cb 0.51 -0.68 0.10 0.00 -0.72 0.00 0.00 41.12 40.34 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 -0.34 1.32 -3.61 -0.67 7.27 -1.26 -5.14 117.38 114.95 3ky9 n GLN 477 Ca 0.31 -2.06 -0.11 0.00 0.07 0.00 0.00 57.00 55.20 3ky9 n GLN 477 Cb 1.11 -0.28 -0.05 0.00 2.41 0.00 0.00 30.24 33.43 3ky9 n GLN 477 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3ky9 s GLY 478 N -1.82 -0.33 -0.19 1.69 0.00 -1.17 -4.99 107.32 100.50 3ky9 s GLY 478 Ca 0.19 0.16 0.12 0.00 0.00 0.00 0.00 44.72 45.19 3ky9 s GLY 478 CO -0.08 -0.11 1.51 0.00 0.00 0.00 0.00 173.10 174.42 3ky9 n ALA 479 N -0.03 3.59 -2.71 3.20 0.00 -1.26 -4.79 120.51 118.51 3ky9 n ALA 479 Ca -0.17 -1.54 -0.34 0.00 0.00 0.00 0.00 53.44 51.40 3ky9 n ALA 479 Cb 0.63 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.86 3ky9 n ALA 479 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ky9 s GLN 480 N -2.39 2.98 -0.30 0.00 2.00 -1.26 -4.87 119.66 115.82 3ky9 s GLN 480 Ca 0.44 -0.58 -0.15 0.00 -2.00 0.00 0.00 55.36 53.07 3ky9 s GLN 480 Cb 0.33 -2.62 0.17 0.00 0.80 0.00 0.00 33.01 31.69 3ky9 s GLN 480 CO 0.13 0.51 1.03 0.20 -0.50 0.00 0.00 175.29 176.67 3ky9 s GLY 481 N -0.41 -0.16 0.13 2.59 0.00 -1.26 -3.20 107.32 105.02 3ky9 s GLY 481 Ca 0.06 3.08 -0.13 0.00 0.00 0.00 0.00 44.72 47.72 3ky9 s GLY 481 CO 0.02 3.33 0.51 -0.19 0.00 0.00 0.00 173.10 176.77 3ky9 s TYR 482 N 2.46 3.59 -0.13 1.90 2.02 -0.54 -4.17 117.35 122.49 3ky9 s TYR 482 Ca -0.01 0.99 -0.05 0.00 -0.37 0.00 0.00 57.07 57.63 3ky9 s TYR 482 Cb -0.06 -2.32 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 3ky9 s TYR 482 CO -0.17 0.44 0.04 -1.83 -1.57 0.00 0.00 175.55 172.47 3ky9 s GLU 483 N -1.98 3.43 -0.18 -0.62 -1.05 -0.57 -0.89 118.70 116.85 3ky9 s GLU 483 Ca 0.37 -0.35 -0.02 0.00 -0.15 0.00 0.00 54.97 54.83 3ky9 s GLU 483 Cb -0.15 -3.00 -0.01 0.00 -0.44 0.00 0.00 34.13 30.53 3ky9 s GLU 483 CO 0.19 0.55 -0.10 -0.51 0.95 0.00 0.00 175.26 176.34 3ky9 s LEU 484 N -0.43 2.74 -0.09 1.83 1.43 -0.83 -2.72 118.68 120.62 3ky9 s LEU 484 Ca 0.09 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3ky9 s LEU 484 Cb -0.12 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3ky9 s LEU 484 CO 0.02 0.07 -0.07 -0.36 0.23 0.00 0.00 176.35 176.24 3ky9 s PHE 485 N 0.94 2.94 0.02 0.29 0.08 0.55 -2.56 117.98 120.25 3ky9 s PHE 485 Ca -0.02 -0.09 0.07 0.00 0.12 0.00 0.00 56.93 57.02 3ky9 s PHE 485 Cb -0.15 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.51 3ky9 s PHE 485 CO -0.00 0.22 -0.22 -0.06 -0.10 0.00 0.00 175.22 175.05 3ky9 s PHE 486 N -0.50 1.97 0.31 0.36 0.08 -0.02 -2.27 117.98 117.91 3ky9 s PHE 486 Ca 0.07 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.80 3ky9 s PHE 486 Cb -0.12 -1.21 0.71 0.00 -0.57 0.00 0.00 43.02 41.82 3ky9 s PHE 486 CO 0.02 0.04 1.81 -0.22 -0.10 0.00 0.00 175.22 176.77 3ky9 h LYS 487 N 5.17 0.79 -4.63 0.44 3.64 -1.89 -3.28 116.57 116.81 3ky9 h LYS 487 Ca -0.42 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 58.69 3ky9 h LYS 487 Cb 1.15 -0.18 -0.15 0.00 -0.41 0.00 0.00 32.23 32.64 3ky9 h LYS 487 CO 0.45 0.52 -0.69 0.95 -2.27 0.00 0.00 179.45 178.42 3ky9 s THR 488 N -5.84 0.63 0.25 1.00 -4.23 -1.26 -1.98 115.64 104.20 3ky9 s THR 488 Ca -0.11 -1.93 -0.03 0.00 -1.18 0.00 0.00 61.69 58.44 3ky9 s THR 488 Cb 0.24 -1.74 0.22 0.00 1.34 0.00 0.00 72.50 72.56 3ky9 s THR 488 CO 0.80 -0.82 1.78 -0.09 -0.54 0.00 0.00 174.62 175.76 3ky9 h ARG 489 N 2.94 0.67 -0.37 3.99 2.43 -1.95 -1.90 114.38 120.20 3ky9 h ARG 489 Ca -0.35 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.63 3ky9 h ARG 489 Cb 1.17 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3ky9 h ARG 489 CO 0.64 0.44 -0.36 0.93 -1.51 0.00 0.00 179.97 180.12 3ky9 h GLU 490 N 0.69 0.90 0.15 0.20 3.07 -1.96 -1.46 114.58 116.18 3ky9 h GLU 490 Ca 0.42 -0.47 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 3ky9 h GLU 490 Cb 0.50 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 3ky9 h GLU 490 CO -0.30 1.12 -0.21 -0.07 -1.40 0.00 0.00 179.01 178.15 3ky9 h LEU 491 N 0.71 -0.58 -0.72 1.33 3.38 -1.87 -1.51 115.31 116.05 3ky9 h LEU 491 Ca 0.06 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.22 3ky9 h LEU 491 Cb 0.95 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.82 3ky9 h LEU 491 CO 0.09 -0.30 0.29 0.50 0.09 0.00 0.00 178.44 179.10 3ky9 h LYS 492 N -0.42 0.44 -0.45 1.13 3.64 -1.22 0.02 116.57 119.70 3ky9 h LYS 492 Ca 0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3ky9 h LYS 492 Cb 0.42 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3ky9 h LYS 492 CO -0.09 0.29 0.22 -0.22 -2.27 0.00 0.00 179.45 177.38 3ky9 h LYS 493 N 0.45 0.63 0.11 1.90 3.64 -0.98 0.19 116.57 122.51 3ky9 h LYS 493 Ca 0.38 -0.07 -0.27 0.00 -1.27 0.00 0.00 60.65 59.42 3ky9 h LYS 493 Cb 0.54 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3ky9 h LYS 493 CO -0.37 0.49 -1.18 -0.22 -2.27 0.00 0.00 179.45 175.90 3ky9 h LYS 494 N 0.63 0.33 -0.04 1.90 3.64 0.00 -1.79 116.57 121.25 3ky9 h LYS 494 Ca 0.16 -0.50 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 3ky9 h LYS 494 Cb 0.07 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3ky9 h LYS 494 CO -0.02 1.21 -0.09 -1.49 -2.27 0.00 0.00 179.45 176.78 3ky9 h TRP 495 N 0.12 0.17 -0.99 1.91 4.06 -1.07 -2.79 115.95 117.35 3ky9 h TRP 495 Ca -0.13 -0.06 0.08 0.00 2.06 0.00 0.00 58.89 60.83 3ky9 h TRP 495 Cb 1.88 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 29.94 3ky9 h TRP 495 CO 0.07 0.69 0.64 1.98 -3.56 0.00 0.00 178.44 178.26 3ky9 h MET 496 N -0.40 1.10 -0.57 0.49 4.05 -0.99 0.12 114.93 118.73 3ky9 h MET 496 Ca -0.00 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3ky9 h MET 496 Cb 0.68 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 3ky9 h MET 496 CO 0.02 0.72 0.37 1.49 0.23 0.00 0.00 176.91 179.75 3ky9 h GLU 497 N 1.13 0.73 -0.37 0.39 4.81 -1.39 -1.26 114.58 118.62 3ky9 h GLU 497 Ca 0.44 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.55 3ky9 h GLU 497 Cb 0.23 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3ky9 h GLU 497 CO -0.19 0.48 -0.07 1.96 -0.73 0.00 0.00 179.01 180.46 3ky9 h GLN 498 N 0.75 0.62 -0.45 1.92 1.08 -0.93 -2.24 115.11 115.86 3ky9 h GLN 498 Ca 0.22 -0.18 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 3ky9 h GLN 498 Cb -0.06 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 3ky9 h GLN 498 CO -0.06 0.70 -0.03 0.74 -0.95 0.00 0.00 178.83 179.23 3ky9 h PHE 499 N 0.58 0.81 -0.33 2.96 -1.00 -0.35 -1.42 116.94 118.18 3ky9 h PHE 499 Ca 0.11 -0.12 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 3ky9 h PHE 499 Cb 0.48 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 3ky9 h PHE 499 CO 0.02 0.77 -0.20 0.93 -1.61 0.00 0.00 178.31 178.21 3ky9 h GLU 500 N 0.70 0.72 -0.50 1.51 5.08 -1.02 -1.75 114.58 119.32 3ky9 h GLU 500 Ca 0.13 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 3ky9 h GLU 500 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3ky9 h GLU 500 CO 0.02 0.94 0.05 0.52 -1.00 0.00 0.00 179.01 179.55 3ky9 h MET 501 N 0.49 0.80 0.40 2.33 2.86 -1.22 0.13 114.93 120.73 3ky9 h MET 501 Ca 0.07 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3ky9 h MET 501 Cb 0.75 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3ky9 h MET 501 CO 0.06 0.78 -0.19 0.00 1.06 0.00 0.00 176.91 178.61 3ky9 h ALA 502 N 1.29 -0.54 -0.48 6.32 0.00 -1.18 -0.76 119.26 123.91 3ky9 h ALA 502 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3ky9 h ALA 502 Cb 0.39 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3ky9 h ALA 502 CO 0.01 -0.79 -0.02 0.82 0.00 0.00 0.00 179.25 179.27 3ky9 h ILE 503 N -0.56 1.25 -0.33 0.00 2.04 -1.14 -1.78 117.51 116.99 3ky9 h ILE 503 Ca -0.05 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.71 3ky9 h ILE 503 Cb 0.42 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3ky9 h ILE 503 CO 0.09 0.37 0.03 -1.28 0.00 0.00 0.00 178.15 177.36 3ky9 h SER 504 N 0.76 0.46 0.00 1.72 0.87 -0.66 -0.55 113.55 116.15 3ky9 h SER 504 Ca 0.14 -0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.51 3ky9 h SER 504 Cb 0.49 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3ky9 h SER 504 CO 0.02 0.51 -0.37 0.78 -0.53 0.00 0.00 176.83 177.24 3ky9 h ASN 505 N 0.49 0.52 -0.23 6.23 2.35 -0.55 -0.92 115.58 123.46 3ky9 h ASN 505 Ca 0.11 -0.22 -0.12 0.00 -0.55 0.00 0.00 56.30 55.52 3ky9 h ASN 505 Cb 0.27 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3ky9 h ASN 505 CO 0.00 0.85 -0.32 0.40 -1.65 0.00 0.00 177.43 176.71 3ky9 h ILE 506 N 0.41 1.32 -2.59 2.81 2.04 -0.92 -3.39 117.51 117.19 3ky9 h ILE 506 Ca 0.04 -1.52 -0.60 0.00 1.00 0.00 0.00 64.86 63.78 3ky9 h ILE 506 Cb 0.84 1.74 -0.40 0.00 -0.74 0.00 0.00 36.82 38.26 3ky9 h ILE 506 CO 0.07 0.48 -0.76 -1.22 0.00 0.00 0.00 178.15 176.72 3ky9 n TYR 507 N -4.28 1.65 -1.49 1.37 4.01 -0.25 -4.68 117.16 113.49 3ky9 n TYR 507 Ca -0.05 -3.90 -0.29 0.00 -0.16 0.00 0.00 57.90 53.50 3ky9 n TYR 507 Cb 0.49 -0.32 0.13 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.16 1.38 0.31 -0.72 0.02 -0.36 -4.58 135.00 129.89 3ky9 s PRO 508 Ca 0.31 0.45 -0.29 0.00 0.02 0.00 0.00 61.00 61.49 3ky9 s PRO 508 Cb 0.04 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.60 3ky9 s PRO 508 CO -0.15 -2.07 1.50 -1.21 -0.33 0.00 0.00 177.00 174.75 3ky9 s GLU 509 N -5.19 4.17 -0.46 5.54 2.02 -1.26 -2.60 118.70 120.92 3ky9 s GLU 509 Ca 0.63 2.49 0.00 0.00 0.02 0.00 0.00 54.97 58.11 3ky9 s GLU 509 Cb -0.15 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.05 3ky9 s GLU 509 CO 0.54 -0.51 0.00 0.09 0.02 0.00 0.00 175.26 175.40 3ky9 n ASN 510 N 1.53 -3.92 0.06 -0.19 3.02 -1.26 -4.69 115.26 109.82 3ky9 n ASN 510 Ca 0.05 0.11 0.04 0.00 -0.03 0.00 0.00 54.58 54.75 3ky9 n ASN 510 Cb 0.39 -1.80 0.45 0.00 -0.61 0.00 0.00 39.78 38.21 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 1.71 -0.25 5.41 0.00 -1.85 -2.29 119.26 121.99 3ky9 h ALA 511 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ky9 h ALA 511 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ky9 h ALA 511 CO 0.13 0.25 0.00 -2.37 0.00 0.00 0.00 179.25 177.26 3ky9 n THR 512 N -4.45 1.99 -2.76 0.00 5.66 -1.26 -1.55 114.28 111.91 3ky9 n THR 512 Ca 0.02 -1.72 -0.36 0.00 -3.05 0.00 0.00 64.05 58.93 3ky9 n THR 512 Cb 0.10 -0.09 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 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 -2.44 3.17 -1.67 1.79 0.00 -0.86 -3.85 121.76 117.90 3ky9 s ALA 513 Ca 0.37 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 3ky9 s ALA 513 Cb 0.29 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3ky9 s ALA 513 CO 0.10 0.12 0.27 0.09 0.00 0.00 0.00 175.76 176.34 3ky9 n ASN 514 N 0.29 -5.94 0.00 0.00 4.13 -1.26 -2.25 115.26 110.22 3ky9 n ASN 514 Ca 0.03 -0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.16 3ky9 n ASN 514 Cb 0.51 -4.88 0.00 0.00 -1.54 0.00 0.00 39.78 33.87 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 -1.23 2.14 3.71 7.41 0.00 -1.25 -1.76 105.19 114.21 3ky9 n GLY 515 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.38 2.26 -0.44 1.61 3.76 -0.96 -4.81 115.29 113.33 3ky9 s HIS 516 Ca 0.00 1.08 0.07 0.00 -0.15 0.00 0.00 55.06 56.05 3ky9 s HIS 516 Cb 0.00 -3.23 0.23 0.00 1.11 0.00 0.00 32.58 30.69 3ky9 s HIS 516 CO 0.00 -2.60 0.51 -3.47 -0.85 0.00 0.00 174.74 168.33 3ky9 n ASP 517 N -3.99 0.64 -4.72 1.40 4.64 -1.25 -4.36 116.55 108.91 3ky9 n ASP 517 Ca 0.06 -2.75 -0.42 0.00 -1.38 0.00 0.00 54.79 50.31 3ky9 n ASP 517 Cb 0.57 -0.63 -0.03 0.00 -1.04 0.00 0.00 41.12 39.98 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 -1.10 3.59 0.06 -0.67 0.08 -0.59 -4.01 117.98 115.34 3ky9 s PHE 518 Ca 0.35 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.97 3ky9 s PHE 518 Cb 0.13 -3.24 -0.03 0.00 -0.57 0.00 0.00 43.02 39.31 3ky9 s PHE 518 CO -0.12 -0.53 -0.08 -0.65 -0.10 0.00 0.00 175.22 173.75 3ky9 s GLN 519 N 0.70 0.64 0.36 0.44 -0.21 -0.93 -4.88 119.66 115.79 3ky9 s GLN 519 Ca 0.53 -0.95 -0.26 0.00 0.02 0.00 0.00 55.36 54.71 3ky9 s GLN 519 Cb -0.26 -0.29 -0.12 0.00 1.00 0.00 0.00 33.01 33.34 3ky9 s GLN 519 CO 0.30 0.03 1.01 -1.33 -2.12 0.00 0.00 175.29 173.18 3ky9 n MET 520 N 0.98 1.39 -3.67 2.91 2.81 -1.26 -1.62 117.12 118.67 3ky9 n MET 520 Ca -0.19 0.49 -0.10 0.00 -1.81 0.00 0.00 57.70 56.09 3ky9 n MET 520 Cb 0.57 -1.96 -0.09 0.00 -0.71 0.00 0.00 33.22 31.03 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 -1.18 -0.80 -0.39 2.03 5.36 -0.60 -4.78 117.98 117.63 3ky9 s PHE 521 Ca 0.60 1.71 -0.16 0.00 -0.96 0.00 0.00 56.93 58.12 3ky9 s PHE 521 Cb -0.62 0.39 0.01 0.00 -0.34 0.00 0.00 43.02 42.46 3ky9 s PHE 521 CO 0.59 -0.40 0.41 -1.54 -1.46 0.00 0.00 175.22 172.81 3ky9 s SER 522 N 1.13 6.19 0.20 6.13 1.04 -1.26 -3.41 113.70 123.71 3ky9 s SER 522 Ca -0.07 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 3ky9 s SER 522 Cb -0.06 -2.21 -0.08 0.00 0.10 0.00 0.00 66.02 63.77 3ky9 s SER 522 CO -0.11 -0.48 1.00 -0.36 0.98 0.00 0.00 173.24 174.27 3ky9 s PHE 523 N 2.08 3.80 -0.01 5.02 0.08 -1.26 -4.85 117.98 122.84 3ky9 s PHE 523 Ca 0.12 1.79 -0.00 0.00 0.12 0.00 0.00 56.93 58.96 3ky9 s PHE 523 Cb -0.17 -3.10 -0.26 0.00 -0.57 0.00 0.00 43.02 38.92 3ky9 s PHE 523 CO 0.13 0.04 0.78 0.93 -0.10 0.00 0.00 175.22 177.00 3ky9 h GLU 524 N 4.71 0.20 -6.23 0.44 5.08 -1.97 -3.44 114.58 113.38 3ky9 h GLU 524 Ca -0.44 -0.34 -0.58 0.00 -1.00 0.00 0.00 59.36 57.00 3ky9 h GLU 524 Cb 1.21 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.50 3ky9 h GLU 524 CO 0.70 1.02 -0.59 -1.21 -1.00 0.00 0.00 179.01 177.93 3ky9 s GLU 525 N -2.61 2.77 -0.03 2.33 2.02 -1.26 -5.04 118.70 116.87 3ky9 s GLU 525 Ca -0.09 -0.94 -0.37 0.00 0.02 0.00 0.00 54.97 53.59 3ky9 s GLU 525 Cb 0.07 -2.57 -0.16 0.00 0.10 0.00 0.00 34.13 31.58 3ky9 s GLU 525 CO 0.84 0.48 1.52 2.41 0.02 0.00 0.00 175.26 180.52 3ky9 n THR 526 N -0.29 0.13 -4.36 3.63 -1.04 -1.26 -4.96 114.28 106.12 3ky9 n THR 526 Ca -0.09 -0.02 -0.19 0.00 -2.04 0.00 0.00 64.05 61.71 3ky9 n THR 526 Cb 0.55 -1.06 -0.14 0.00 -1.82 0.00 0.00 70.33 67.86 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 1.68 0.96 0.28 12.58 2.01 -1.26 -5.09 115.64 126.80 3ky9 s THR 527 Ca 0.89 -0.81 0.10 0.00 0.31 0.00 0.00 61.69 62.17 3ky9 s THR 527 Cb -0.96 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 3ky9 s THR 527 CO 0.52 0.05 -0.01 -0.94 -0.69 0.00 0.00 174.62 173.55 3ky9 s SER 528 N -0.86 4.42 0.17 3.53 1.04 -1.26 -0.90 113.70 119.84 3ky9 s SER 528 Ca 0.01 -0.72 -0.22 0.00 0.48 0.00 0.00 55.95 55.50 3ky9 s SER 528 Cb -0.07 -0.75 -0.08 0.00 0.10 0.00 0.00 66.02 65.22 3ky9 s SER 528 CO 0.01 -0.03 0.71 0.00 0.98 0.00 0.00 173.24 174.91 3ky9 n LYS 530 N 1.24 0.95 0.00 0.00 4.76 -0.17 -1.93 118.16 123.01 3ky9 n LYS 530 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 3ky9 n LYS 530 Cb 0.50 -1.06 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 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 -0.43 3.00 1.51 7.82 0.00 -1.26 -4.49 120.51 126.66 3ky9 n ALA 531 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3ky9 n ALA 531 Cb 0.03 0.01 0.73 0.00 0.00 0.00 0.00 19.45 20.23 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 -1.07 0.00 -2.66 0.00 1.13 -0.81 -4.90 117.38 109.07 3ky9 n GLN 533 Ca 0.17 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 55.02 3ky9 n GLN 533 Cb 0.12 -3.61 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 -0.64 2.46 0.30 -1.09 -1.94 -1.26 -4.50 119.30 112.62 3ky9 s MET 534 Ca 0.00 -0.86 -0.29 0.00 -1.71 0.00 0.00 55.69 52.83 3ky9 s MET 534 Cb 0.00 -2.49 -0.10 0.00 2.01 0.00 0.00 34.83 34.26 3ky9 s MET 534 CO 0.00 -0.77 1.14 -0.51 -0.01 0.00 0.00 175.02 174.86 3ky9 s LEU 535 N -4.78 4.49 -0.04 -0.03 1.43 -1.26 -1.39 118.68 117.10 3ky9 s LEU 535 Ca 0.58 2.33 -0.30 0.00 -1.03 0.00 0.00 54.13 55.72 3ky9 s LEU 535 Cb -0.10 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 3ky9 s LEU 535 CO 0.39 -0.25 1.06 -0.76 0.23 0.00 0.00 176.35 177.02 3ky9 s LEU 536 N -1.62 4.31 -0.02 1.79 1.02 -0.08 -4.88 118.68 119.21 3ky9 s LEU 536 Ca 0.46 1.69 -0.01 0.00 0.02 0.00 0.00 54.13 56.30 3ky9 s LEU 536 Cb -0.33 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.28 3ky9 s LEU 536 CO 0.42 -0.42 0.08 -0.13 0.02 0.00 0.00 176.35 176.32 3ky9 s ARG 537 N 1.62 3.09 0.00 1.70 0.52 -1.26 -4.59 118.95 120.03 3ky9 s ARG 537 Ca 0.52 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 3ky9 s ARG 537 Cb -0.22 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.37 3ky9 s ARG 537 CO 0.23 0.66 0.00 0.41 0.02 0.00 0.00 175.30 176.62 3ky9 n GLY 538 N 1.28 0.59 0.00 -3.53 0.00 -1.26 -4.57 105.19 97.71 3ky9 n GLY 538 Ca -0.14 -2.19 0.00 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 -0.35 1.01 -3.28 2.61 -2.24 -1.26 -4.88 114.28 105.89 3ky9 n THR 539 Ca 0.00 -1.02 0.02 0.00 -2.27 0.00 0.00 64.05 60.79 3ky9 n THR 539 Cb 0.00 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.03 -1.52 -1.28 4.78 5.36 -1.26 -4.82 117.98 118.20 3ky9 s PHE 540 Ca 0.01 1.86 -0.16 0.00 -0.96 0.00 0.00 56.93 57.68 3ky9 s PHE 540 Cb 0.01 0.62 0.01 0.00 -0.34 0.00 0.00 43.02 43.31 3ky9 s PHE 540 CO 0.00 -0.82 0.56 0.66 -1.46 0.00 0.00 175.22 174.16 3ky9 n TYR 541 N 5.43 -1.63 0.29 10.12 4.01 -1.26 -4.86 117.16 129.27 3ky9 n TYR 541 Ca -0.04 0.46 0.18 0.00 -0.16 0.00 0.00 57.90 58.35 3ky9 n TYR 541 Cb 0.50 -3.30 0.83 0.00 -0.31 0.00 0.00 39.34 37.07 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 -2.05 0.00 0.00 -0.72 7.50 -1.80 -3.47 115.11 114.57 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 0.02 0.00 0.41 -1.50 0.00 0.00 178.83 178.32 3ky9 n GLY 543 N -0.32 -0.91 3.38 3.46 0.00 -1.25 -4.51 105.19 105.05 3ky9 n GLY 543 Ca -0.01 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.00 1.97 -0.01 1.61 1.51 -0.41 -1.56 117.35 116.46 3ky9 s TYR 544 Ca 0.00 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 3ky9 s TYR 544 Cb 0.00 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 3ky9 s TYR 544 CO 0.00 0.46 0.03 0.50 -1.11 0.00 0.00 175.55 175.43 3ky9 s ARG 545 N -3.21 0.01 -0.33 -0.62 3.52 -0.64 -2.01 118.95 115.67 3ky9 s ARG 545 Ca 0.22 0.09 -0.17 0.00 -0.13 0.00 0.00 55.73 55.74 3ky9 s ARG 545 Cb -0.04 -0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.26 3ky9 s ARG 545 CO 0.09 -0.06 0.46 0.00 -0.81 0.00 0.00 175.30 174.98 3ky9 n HIS 547 N 5.58 0.00 -0.12 0.00 1.44 -1.26 -1.27 115.22 119.59 3ky9 n HIS 547 Ca -0.06 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.50 3ky9 n HIS 547 Cb 0.49 -0.20 -0.12 0.00 0.12 0.00 0.00 29.99 30.28 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 -1.20 0.67 -0.00 -1.40 1.74 -1.26 -4.56 116.66 110.65 3ky9 n ARG 548 Ca 0.04 0.11 0.01 0.00 -0.77 0.00 0.00 57.85 57.24 3ky9 n ARG 548 Cb 0.05 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 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 0.10 -1.01 -1.91 0.00 1.74 -0.40 -4.92 116.66 110.26 3ky9 n ARG 550 Ca 0.01 0.25 -0.34 0.00 -0.77 0.00 0.00 57.85 57.01 3ky9 n ARG 550 Cb 0.07 -4.03 0.04 0.00 -1.02 0.00 0.00 32.46 27.52 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 -1.51 2.52 -0.02 7.54 0.00 -1.25 -4.80 121.76 124.24 3ky9 s ALA 551 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.70 3ky9 s ALA 551 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3ky9 s ALA 551 CO 0.00 -1.16 -0.15 -1.54 0.00 0.00 0.00 175.76 172.92 3ky9 s SER 552 N -2.20 1.77 0.02 0.00 1.04 -1.26 -2.10 113.70 110.97 3ky9 s SER 552 Ca 0.70 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.74 3ky9 s SER 552 Cb -0.23 -0.29 0.01 0.00 0.10 0.00 0.00 66.02 65.61 3ky9 s SER 552 CO 0.36 0.16 0.25 0.00 0.98 0.00 0.00 173.24 175.00 3ky9 s ALA 553 N -0.21 -0.56 0.73 5.32 0.00 -0.85 -1.00 121.76 125.18 3ky9 s ALA 553 Ca 0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.83 3ky9 s ALA 553 Cb -0.07 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.29 3ky9 s ALA 553 CO 0.00 -0.32 1.20 -1.01 0.00 0.00 0.00 175.76 175.63 3ky9 s HIS 554 N -2.03 2.07 0.24 0.00 3.76 -1.26 -1.29 115.29 116.78 3ky9 s HIS 554 Ca -0.09 1.60 -0.05 0.00 -0.15 0.00 0.00 55.06 56.37 3ky9 s HIS 554 Cb -0.03 -3.46 0.43 0.00 1.11 0.00 0.00 32.58 30.63 3ky9 s HIS 554 CO -0.01 -2.58 1.74 -0.22 -0.85 0.00 0.00 174.74 172.83 3ky9 h LYS 555 N -0.27 0.48 -0.05 1.40 3.64 -1.94 -2.86 116.57 116.97 3ky9 h LYS 555 Ca -0.48 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 58.67 3ky9 h LYS 555 Cb 1.29 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3ky9 h LYS 555 CO 0.50 0.32 -0.83 0.93 -2.27 0.00 0.00 179.45 178.10 3ky9 h GLU 556 N 0.49 0.42 0.00 1.90 3.07 -1.95 -3.20 114.58 115.32 3ky9 h GLU 556 Ca 0.40 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3ky9 h GLU 556 Cb 0.57 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3ky9 h GLU 556 CO -0.37 1.04 0.00 0.00 -1.40 0.00 0.00 179.01 178.29 3ky9 h LEU 558 N 0.00 0.63 0.00 0.00 3.38 -1.55 -2.28 115.31 115.49 3ky9 h LEU 558 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ky9 h LEU 558 Cb 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ky9 h LEU 558 CO 0.00 0.39 -0.21 1.23 0.09 0.00 0.00 178.44 179.93 3ky9 h GLY 559 N 0.76 0.00 1.06 0.83 0.00 -1.82 -3.15 103.07 100.76 3ky9 h GLY 559 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3ky9 h GLY 559 CO -0.21 0.00 -0.01 0.54 0.00 0.00 0.00 176.54 176.86 3ky9 n ARG 560 N -2.76 0.84 -2.59 4.80 1.74 -0.86 -4.78 116.66 113.04 3ky9 n ARG 560 Ca 0.04 -0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.60 3ky9 n ARG 560 Cb 0.50 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.22 4.52 0.14 1.55 1.01 -1.19 -4.76 120.40 119.46 3ky9 s VAL 561 Ca 0.40 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 63.98 3ky9 s VAL 561 Cb 0.21 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 3ky9 s VAL 561 CO 0.41 -0.26 0.40 -2.65 0.00 0.00 0.00 175.10 173.00 3ky9 n PRO 562 N 6.58 0.00 -1.34 2.72 -0.02 -1.26 -4.83 135.00 136.84 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 -0.76 0.05 0.00 -0.02 0.00 0.00 33.50 33.24 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 0.76 0.38 -2.00 0.52 -0.02 -1.26 -4.87 135.00 128.50 3ky9 n PRO 563 Ca 0.13 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 3ky9 n PRO 563 Cb 0.18 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 3ky9 n PRO 563 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48