#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imx s PRO 12 N 0.00 2.15 -1.88 1.61 0.04 -1.26 -3.68 135.00 131.99 3imx s PRO 12 Ca 0.00 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3imx s PRO 12 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3imx s PRO 12 CO 0.00 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.69 3imx n GLY 13 N -0.50 0.06 3.77 0.56 0.00 -1.26 -4.93 105.19 102.89 3imx n GLY 13 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3imx n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3imx n SER 14 N -1.87 3.81 -4.11 1.61 7.64 -1.24 -5.02 113.62 114.44 3imx n SER 14 Ca -0.24 1.21 -0.15 0.00 1.01 0.00 0.00 58.87 60.70 3imx n SER 14 Cb 0.69 -1.61 -0.12 0.00 -1.01 0.00 0.00 64.21 62.16 3imx n SER 14 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3imx s MET 15 N -1.74 0.66 0.14 1.43 -1.94 -1.26 -5.07 119.30 111.51 3imx s MET 15 Ca 0.56 -0.84 -0.23 0.00 -1.71 0.00 0.00 55.69 53.47 3imx s MET 15 Cb -0.48 -0.53 0.00 0.00 2.01 0.00 0.00 34.83 35.83 3imx s MET 15 CO 0.60 0.11 1.64 0.28 -0.01 0.00 0.00 175.02 177.65 3imx h VAL 16 N 4.41 0.47 -0.91 -6.03 2.07 -1.95 -1.54 116.25 112.77 3imx h VAL 16 Ca -0.38 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3imx h VAL 16 Cb 1.20 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3imx h VAL 16 CO 0.40 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 178.26 3imx h GLU 17 N -0.25 1.11 -0.52 1.57 5.08 -1.98 -1.51 114.58 118.08 3imx h GLU 17 Ca 0.11 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3imx h GLU 17 Cb 0.41 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3imx h GLU 17 CO -0.31 0.73 0.04 0.37 -1.00 0.00 0.00 179.01 178.85 3imx h GLN 18 N 1.14 0.84 -0.15 2.33 4.15 -1.85 -0.15 115.11 121.42 3imx h GLN 18 Ca 0.36 -0.21 -0.17 0.00 0.77 0.00 0.00 58.65 59.39 3imx h GLN 18 Cb 0.01 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 27.60 3imx h GLN 18 CO -0.11 0.82 -0.58 0.82 -1.93 0.00 0.00 178.83 177.85 3imx h ILE 19 N 0.79 1.32 0.00 2.39 2.04 -0.75 -3.21 117.51 120.10 3imx h ILE 19 Ca 0.16 -1.83 -0.08 0.00 1.00 0.00 0.00 64.86 64.10 3imx h ILE 19 Cb 0.42 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3imx h ILE 19 CO 0.01 0.57 -0.40 -0.07 0.00 0.00 0.00 178.15 178.26 3imx h LEU 20 N 0.33 0.00 -1.58 1.44 3.38 -1.22 -2.95 115.31 114.71 3imx h LEU 20 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3imx h LEU 20 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3imx h LEU 20 CO 0.12 0.40 0.00 0.00 0.09 0.00 0.00 178.44 179.05 3imx h ALA 21 N 1.60 1.00 -0.06 1.53 0.00 -1.02 -2.68 119.26 119.63 3imx h ALA 21 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3imx h ALA 21 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3imx h ALA 21 CO 0.05 0.00 0.08 0.93 0.00 0.00 0.00 179.25 180.31 3imx h GLU 22 N 0.00 0.00 0.00 0.00 5.08 -1.55 -1.67 114.58 116.44 3imx h GLU 22 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3imx h GLU 22 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3imx h GLU 22 CO 0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 3imx n PHE 23 N -3.75 0.32 -1.72 4.33 3.01 -1.01 -4.90 117.46 113.73 3imx n PHE 23 Ca -0.01 0.10 -0.36 0.00 1.01 0.00 0.00 57.45 58.18 3imx n PHE 23 Cb 0.17 -0.66 0.07 0.00 -0.01 0.00 0.00 39.48 39.05 3imx n PHE 23 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3imx s GLN 24 N -3.05 2.53 -0.04 -1.08 -0.21 -0.63 -4.69 119.66 112.49 3imx s GLN 24 Ca 0.12 1.97 -0.02 0.00 0.02 0.00 0.00 55.36 57.45 3imx s GLN 24 Cb 0.15 -1.85 0.03 0.00 1.00 0.00 0.00 33.01 32.34 3imx s GLN 24 CO 0.51 -1.59 0.05 -0.51 -2.12 0.00 0.00 175.29 171.63 3imx s LEU 25 N -4.47 0.20 0.59 2.90 1.43 -1.26 -5.13 118.68 112.93 3imx s LEU 25 Ca 0.80 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.88 3imx s LEU 25 Cb -0.35 -0.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 3imx s LEU 25 CO 0.40 -0.24 0.94 -1.10 0.23 0.00 0.00 176.35 176.57 3imx s GLN 26 N 2.15 3.26 0.39 1.70 -1.52 -1.26 -4.85 119.66 119.53 3imx s GLN 26 Ca 0.05 0.34 0.11 0.00 -1.95 0.00 0.00 55.36 53.91 3imx s GLN 26 Cb -0.12 -2.20 0.90 0.00 -0.22 0.00 0.00 33.01 31.37 3imx s GLN 26 CO -0.03 -0.59 1.91 1.49 -0.25 0.00 0.00 175.29 177.82 3imx h GLU 27 N -0.19 0.57 -0.11 2.91 4.81 -2.01 0.38 114.58 120.93 3imx h GLU 27 Ca -0.45 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 3imx h GLU 27 Cb 1.22 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3imx h GLU 27 CO 0.62 0.37 -0.32 1.49 -0.73 0.00 0.00 179.01 180.45 3imx h GLU 28 N 0.58 0.22 -0.20 1.92 4.81 -1.99 -0.87 114.58 119.05 3imx h GLU 28 Ca 0.38 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.45 3imx h GLU 28 Cb 0.66 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 3imx h GLU 28 CO -0.14 0.51 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.04 3imx h ASP 29 N 0.19 0.50 -0.75 1.04 3.32 -0.67 -2.43 116.42 117.63 3imx h ASP 29 Ca 0.03 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 3imx h ASP 29 Cb 0.66 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3imx h ASP 29 CO 0.05 0.85 0.29 -0.07 -1.72 0.00 0.00 179.24 178.63 3imx h LEU 30 N 0.15 1.05 -1.10 1.55 3.38 -0.82 -1.36 115.31 118.16 3imx h LEU 30 Ca 0.04 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3imx h LEU 30 Cb 0.70 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3imx h LEU 30 CO 0.04 0.94 -0.07 0.11 0.09 0.00 0.00 178.44 179.56 3imx h LYS 31 N 1.10 0.56 -0.28 1.13 1.57 -1.16 0.13 116.57 119.63 3imx h LYS 31 Ca 0.25 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3imx h LYS 31 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3imx h LYS 31 CO -0.02 0.63 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.10 3imx h LYS 32 N 0.52 0.60 -0.66 3.15 3.64 -1.03 -0.77 116.57 122.04 3imx h LYS 32 Ca 0.10 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3imx h LYS 32 Cb 0.44 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 3imx h LYS 32 CO 0.02 0.86 0.41 0.28 -2.27 0.00 0.00 179.45 178.75 3imx h VAL 33 N 0.34 1.18 -0.07 2.00 2.07 -0.96 -1.66 116.25 119.15 3imx h VAL 33 Ca 0.06 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3imx h VAL 33 Cb 0.70 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3imx h VAL 33 CO 0.05 0.19 0.04 -0.03 0.02 0.00 0.00 177.57 177.83 3imx h MET 34 N 0.89 0.10 -0.37 1.57 1.85 -0.82 -0.79 114.93 117.36 3imx h MET 34 Ca 0.24 -0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.25 3imx h MET 34 Cb -0.05 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 3imx h MET 34 CO -0.05 0.13 -0.05 -0.09 -0.40 0.00 0.00 176.91 176.44 3imx h ARG 35 N 0.04 0.60 -0.24 0.39 9.65 -1.01 -1.35 114.38 122.46 3imx h ARG 35 Ca 0.02 -0.16 -0.12 0.00 -1.10 0.00 0.00 59.98 58.63 3imx h ARG 35 Cb 0.06 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 3imx h ARG 35 CO -0.00 0.67 -0.34 0.00 2.80 0.00 0.00 179.97 183.09 3imx h ARG 36 N 0.57 0.52 -0.60 0.20 3.08 -1.07 -1.41 114.38 115.67 3imx h ARG 36 Ca 0.11 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 3imx h ARG 36 Cb 0.44 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3imx h ARG 36 CO 0.02 0.79 0.07 1.98 -1.07 0.00 0.00 179.97 181.77 3imx h MET 37 N 0.44 1.01 -0.52 0.04 4.05 -0.56 -0.76 114.93 118.62 3imx h MET 37 Ca 0.05 -0.28 -0.06 0.00 -0.28 0.00 0.00 59.70 59.12 3imx h MET 37 Cb 0.80 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 3imx h MET 37 CO 0.07 0.96 0.07 1.96 0.23 0.00 0.00 176.91 180.19 3imx h GLN 38 N 0.91 0.84 -0.46 0.39 4.20 -1.00 -0.21 115.11 119.77 3imx h GLN 38 Ca 0.18 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 3imx h GLN 38 Cb 0.46 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3imx h GLN 38 CO 0.02 0.79 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.75 3imx h LYS 39 N 0.79 0.82 -0.06 1.46 3.64 -0.93 -1.84 116.57 120.45 3imx h LYS 39 Ca 0.16 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 3imx h LYS 39 Cb 0.38 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3imx h LYS 39 CO 0.01 0.87 -0.43 0.93 -2.27 0.00 0.00 179.45 178.56 3imx h GLU 40 N 0.67 0.13 -0.40 1.90 4.39 -0.73 -1.85 114.58 118.69 3imx h GLU 40 Ca 0.13 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 3imx h GLU 40 Cb 0.50 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3imx h GLU 40 CO 0.02 0.54 -0.01 0.52 -1.16 0.00 0.00 179.01 178.92 3imx h MET 41 N 0.11 0.71 -0.77 2.33 2.86 -0.82 -1.22 114.93 118.13 3imx h MET 41 Ca 0.01 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 3imx h MET 41 Cb 0.81 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 3imx h MET 41 CO 0.06 0.80 0.35 0.22 1.06 0.00 0.00 176.91 179.41 3imx h ASP 42 N 0.53 1.03 -0.10 1.22 3.58 -1.12 -2.41 116.42 119.15 3imx h ASP 42 Ca 0.11 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 3imx h ASP 42 Cb 0.49 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 3imx h ASP 42 CO 0.02 0.89 -0.10 0.03 -2.88 0.00 0.00 179.24 177.20 3imx h ARG 43 N 1.10 0.41 0.00 0.28 3.08 -1.06 -2.64 114.38 115.55 3imx h ARG 43 Ca 0.26 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 3imx h ARG 43 Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3imx h ARG 43 CO -0.03 0.52 -0.24 0.78 -1.07 0.00 0.00 179.97 179.93 3imx h GLY 44 N 0.85 0.00 1.80 0.04 0.00 -0.83 -3.09 103.07 101.84 3imx h GLY 44 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.23 3imx h GLY 44 CO 0.02 0.00 -0.93 1.41 0.00 0.00 0.00 176.54 177.04 3imx h LEU 45 N 0.00 0.00 -9.47 3.11 3.38 -1.11 -3.42 115.31 107.81 3imx h LEU 45 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.41 3imx h LEU 45 Cb 1.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 3imx h LEU 45 CO 0.03 0.78 0.11 -0.13 0.09 0.00 0.00 178.44 179.32 3imx s ARG 46 N -2.81 4.44 0.40 1.13 0.52 -1.04 -3.14 118.95 118.46 3imx s ARG 46 Ca 0.01 0.94 0.16 0.00 -0.52 0.00 0.00 55.73 56.33 3imx s ARG 46 Cb 0.09 -3.39 1.04 0.00 0.52 0.00 0.00 34.95 33.21 3imx s ARG 46 CO 0.79 0.21 1.82 -0.07 0.02 0.00 0.00 175.30 178.07 3imx h LEU 47 N 6.10 0.48 -0.66 2.53 3.38 -1.89 -0.58 115.31 124.67 3imx h LEU 47 Ca -0.43 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 3imx h LEU 47 Cb 1.20 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3imx h LEU 47 CO 0.72 0.16 0.16 -0.33 0.09 0.00 0.00 178.44 179.24 3imx h GLU 48 N 0.46 1.06 -0.05 1.13 3.07 -1.93 -3.31 114.58 115.01 3imx h GLU 48 Ca 0.53 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3imx h GLU 48 Cb 1.24 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3imx h GLU 48 CO -0.24 0.95 0.00 0.25 -1.40 0.00 0.00 179.01 178.57 3imx n THR 49 N -4.29 0.08 -0.03 1.13 -2.24 -0.98 -4.74 114.28 103.20 3imx n THR 49 Ca 0.04 -0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 3imx n THR 49 Cb 0.25 1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.68 3imx n THR 49 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3imx h HIS 50 N 2.64 -0.24 -0.56 4.78 6.17 -1.03 -1.56 115.15 125.35 3imx h HIS 50 Ca 0.00 0.02 0.11 0.00 0.71 0.00 0.00 60.37 61.22 3imx h HIS 50 Cb 0.58 0.14 -0.03 0.00 2.52 0.00 0.00 27.41 30.62 3imx h HIS 50 CO 0.02 -0.16 0.38 0.93 0.71 0.00 0.00 177.93 179.82 3imx h GLU 51 N -0.08 0.26 -0.02 5.26 5.08 -1.85 -2.31 114.58 120.92 3imx h GLU 51 Ca 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3imx h GLU 51 Cb 0.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3imx h GLU 51 CO -0.25 0.17 -0.27 -0.85 -1.00 0.00 0.00 179.01 176.81 3imx n GLU 52 N -4.45 1.66 -2.13 2.33 0.28 -1.07 -4.99 120.64 112.27 3imx n GLU 52 Ca 0.10 -1.35 -0.41 0.00 -0.16 0.00 0.00 57.16 55.33 3imx n GLU 52 Cb 0.44 -1.45 -0.02 0.00 1.43 0.00 0.00 31.44 31.84 3imx n GLU 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3imx s ALA 53 N -2.22 3.50 0.03 -1.84 0.00 -0.61 -4.95 121.76 115.68 3imx s ALA 53 Ca 0.22 1.24 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 3imx s ALA 53 Cb 0.18 -3.48 -0.29 0.00 0.00 0.00 0.00 23.12 19.53 3imx s ALA 53 CO 0.45 -0.62 1.07 0.66 0.00 0.00 0.00 175.76 177.32 3imx h SER 54 N 3.65 0.79 -3.55 0.00 4.64 -1.88 -3.40 113.55 113.80 3imx h SER 54 Ca -0.48 -0.84 -0.67 0.00 -0.47 0.00 0.00 61.79 59.33 3imx h SER 54 Cb 1.22 -0.25 -0.17 0.00 -0.31 0.00 0.00 62.40 62.90 3imx h SER 54 CO 0.67 1.55 0.01 -0.69 -0.87 0.00 0.00 176.83 177.50 3imx s VAL 55 N -2.92 4.91 0.07 0.95 1.01 -1.26 -4.50 120.40 118.65 3imx s VAL 55 Ca -0.10 -0.08 0.29 0.00 0.00 0.00 0.00 61.98 62.09 3imx s VAL 55 Cb 0.05 -4.16 0.33 0.00 0.00 0.00 0.00 36.38 32.59 3imx s VAL 55 CO 0.91 -0.56 1.89 0.11 0.00 0.00 0.00 175.10 177.45 3imx h LYS 56 N 8.84 0.00 -6.68 2.72 1.57 -1.76 -3.33 116.57 117.93 3imx h LYS 56 Ca -0.26 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.98 3imx h LYS 56 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3imx h LYS 56 CO 0.87 0.09 -0.97 -1.33 -0.57 0.00 0.00 179.45 177.53 3imx n MET 57 N -3.20 -0.99 -2.23 3.15 2.81 -1.10 -4.67 117.12 110.90 3imx n MET 57 Ca 0.01 0.23 -0.42 0.00 -1.81 0.00 0.00 57.70 55.71 3imx n MET 57 Cb 0.37 -3.38 -0.03 0.00 -0.71 0.00 0.00 33.22 29.48 3imx n MET 57 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3imx s LEU 58 N -7.09 4.28 0.35 4.03 1.43 0.01 -4.74 118.68 116.95 3imx s LEU 58 Ca 0.38 2.03 -0.28 0.00 -1.03 0.00 0.00 54.13 55.22 3imx s LEU 58 Cb -0.18 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 3imx s LEU 58 CO 0.93 -0.77 1.39 -2.84 0.23 0.00 0.00 176.35 175.28 3imx s PRO 59 N 3.06 4.23 -0.01 1.29 0.02 -1.26 -0.92 135.00 141.41 3imx s PRO 59 Ca 0.64 2.38 0.17 0.00 0.02 0.00 0.00 61.00 64.20 3imx s PRO 59 Cb -0.29 -3.01 -0.21 0.00 0.02 0.00 0.00 34.50 31.00 3imx s PRO 59 CO 0.24 -0.35 0.61 0.25 -0.33 0.00 0.00 177.00 177.42 3imx n THR 60 N 0.62 0.00 -1.16 0.99 -2.24 -0.94 -4.30 114.28 107.25 3imx n THR 60 Ca 0.01 -0.19 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 3imx n THR 60 Cb 0.41 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 3imx n THR 60 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3imx n TYR 61 N -1.62 0.00 -3.36 4.78 4.01 -1.26 -4.50 117.16 115.21 3imx n TYR 61 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 3imx n TYR 61 Cb 0.32 -1.62 -0.09 0.00 -0.31 0.00 0.00 39.34 37.64 3imx n TYR 61 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3imx s VAL 62 N -1.90 5.13 0.27 -0.72 1.01 -1.26 -4.61 120.40 118.31 3imx s VAL 62 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.11 3imx s VAL 62 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3imx s VAL 62 CO 0.00 -0.16 0.18 -0.13 0.00 0.00 0.00 175.10 175.00 3imx s ARG 63 N 2.10 2.81 0.08 2.72 0.52 -1.26 -1.28 118.95 124.64 3imx s ARG 63 Ca 0.13 -1.14 0.26 0.00 -0.52 0.00 0.00 55.73 54.46 3imx s ARG 63 Cb -0.16 -2.50 0.73 0.00 0.52 0.00 0.00 34.95 33.54 3imx s ARG 63 CO 0.12 0.35 1.61 -1.13 0.02 0.00 0.00 175.30 176.27 3imx n SER 64 N -1.17 0.49 0.16 0.23 3.41 -0.85 -4.42 113.62 111.46 3imx n SER 64 Ca -0.07 0.23 0.02 0.00 -0.26 0.00 0.00 58.87 58.79 3imx n SER 64 Cb 0.58 -0.20 0.22 0.00 -0.26 0.00 0.00 64.21 64.55 3imx n SER 64 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3imx h THR 65 N 0.00 1.15 -2.15 6.66 1.35 -1.95 -3.46 112.91 114.51 3imx h THR 65 Ca 0.00 -1.94 -0.62 0.00 -0.55 0.00 0.00 66.41 63.30 3imx h THR 65 Cb 0.62 2.11 0.07 0.00 -1.73 0.00 0.00 68.15 69.22 3imx h THR 65 CO 0.00 0.51 0.55 -2.65 -0.25 0.00 0.00 175.52 173.68 3imx n PRO 66 N -3.60 1.65 0.00 4.72 -0.02 -1.26 -4.89 135.00 131.60 3imx n PRO 66 Ca -0.00 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 3imx n PRO 66 Cb 0.60 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 3imx n PRO 66 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3imx n GLU 67 N 2.48 0.86 -4.14 -0.52 1.02 -1.26 -5.01 120.64 114.07 3imx n GLU 67 Ca 0.16 -0.60 -0.09 0.00 -0.02 0.00 0.00 57.16 56.60 3imx n GLU 67 Cb 0.26 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 3imx n GLU 67 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3imx s GLY 68 N -2.62 0.93 0.00 0.62 0.00 -1.26 -5.16 107.32 99.83 3imx s GLY 68 Ca 0.14 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3imx s GLY 68 CO 0.67 -1.34 0.00 -1.26 0.00 0.00 0.00 173.10 171.17 3imx n SER 69 N -0.08 0.00 -3.53 1.64 2.88 -1.26 -4.69 113.62 108.58 3imx n SER 69 Ca -0.06 -0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.37 3imx n SER 69 Cb 0.63 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.08 3imx n SER 69 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 3imx s GLU 70 N 0.94 1.03 0.80 -1.46 -1.05 -1.26 -4.91 118.70 112.78 3imx s GLU 70 Ca 0.00 -0.42 -0.10 0.00 -0.15 0.00 0.00 54.97 54.30 3imx s GLU 70 Cb 0.00 0.45 0.10 0.00 -0.44 0.00 0.00 34.13 34.24 3imx s GLU 70 CO 0.00 -0.46 1.14 0.14 0.95 0.00 0.00 175.26 177.03 3imx s VAL 71 N -3.34 2.11 -4.87 1.83 -7.23 -1.26 -4.90 120.40 102.73 3imx s VAL 71 Ca 0.05 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 3imx s VAL 71 Cb -0.01 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.96 3imx s VAL 71 CO -0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 3imx n GLY 72 N -3.24 1.00 3.56 2.32 0.00 0.01 -4.95 105.19 103.90 3imx n GLY 72 Ca 0.10 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 3imx n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3imx s ASP 73 N -2.01 5.15 -0.03 1.61 1.01 -1.26 -0.83 116.67 120.30 3imx s ASP 73 Ca 0.00 -0.03 0.02 0.00 0.71 0.00 0.00 52.55 53.25 3imx s ASP 73 Cb 0.00 -1.83 0.01 0.00 1.01 0.00 0.00 42.92 42.11 3imx s ASP 73 CO 0.00 0.19 -0.07 -0.36 0.21 0.00 0.00 175.17 175.14 3imx s PHE 74 N 0.26 0.82 0.27 4.23 0.40 -0.25 -4.46 117.98 119.25 3imx s PHE 74 Ca -0.00 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 3imx s PHE 74 Cb -0.13 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.72 3imx s PHE 74 CO 0.02 -0.13 0.48 -1.17 0.70 0.00 0.00 175.22 175.11 3imx s LEU 75 N 0.46 4.13 -0.04 -0.37 2.96 -0.53 -0.24 118.68 125.05 3imx s LEU 75 Ca -0.07 0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 54.27 3imx s LEU 75 Cb -0.10 -3.27 0.01 0.00 0.50 0.00 0.00 46.19 43.33 3imx s LEU 75 CO 0.00 -0.16 0.09 -0.55 -1.32 0.00 0.00 176.35 174.41 3imx s SER 76 N -3.53 -0.08 -0.09 3.68 0.15 0.00 -1.59 113.70 112.25 3imx s SER 76 Ca 0.40 0.18 0.04 0.00 0.70 0.00 0.00 55.95 57.27 3imx s SER 76 Cb -0.10 0.15 -0.00 0.00 -1.71 0.00 0.00 66.02 64.36 3imx s SER 76 CO 0.32 -0.06 -0.23 -0.22 1.20 0.00 0.00 173.24 174.24 3imx s LEU 77 N 0.31 2.06 -0.24 3.45 0.20 -0.47 -0.92 118.68 123.08 3imx s LEU 77 Ca -0.02 -0.53 -0.00 0.00 0.69 0.00 0.00 54.13 54.26 3imx s LEU 77 Cb -0.03 -1.37 0.07 0.00 -0.43 0.00 0.00 46.19 44.43 3imx s LEU 77 CO -0.01 0.17 0.00 -0.62 -0.29 0.00 0.00 176.35 175.60 3imx s ASP 78 N 0.27 3.65 -0.24 3.68 2.15 -0.65 0.10 116.67 125.63 3imx s ASP 78 Ca -0.16 -1.20 -0.03 0.00 0.43 0.00 0.00 52.55 51.59 3imx s ASP 78 Cb -0.17 -0.98 0.01 0.00 -0.30 0.00 0.00 42.92 41.48 3imx s ASP 78 CO 0.08 -0.29 -0.03 -0.22 -0.17 0.00 0.00 175.17 174.53 3imx s LEU 79 N 1.54 3.12 0.00 -1.34 2.96 0.57 -1.99 118.68 123.54 3imx s LEU 79 Ca -0.01 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 3imx s LEU 79 Cb -0.18 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.78 3imx s LEU 79 CO -0.10 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 3imx n GLY 80 N 4.76 6.00 0.01 7.98 0.00 -1.07 -1.97 105.19 120.90 3imx n GLY 80 Ca -0.17 -2.02 0.14 0.00 0.00 0.00 0.00 46.02 43.97 3imx n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3imx n GLY 81 N 5.00 -1.33 0.00 -0.02 0.00 -1.26 -4.53 105.19 103.05 3imx n GLY 81 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3imx n GLY 81 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3imx n THR 82 N -1.34 0.00 -4.44 2.61 -2.24 -1.26 -4.89 114.28 102.72 3imx n THR 82 Ca 0.11 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.66 3imx n THR 82 Cb 0.29 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 3imx n THR 82 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3imx s ASN 83 N -2.37 2.32 -0.01 3.42 -0.87 -1.26 -2.64 114.94 113.53 3imx s ASN 83 Ca 0.00 -1.66 -0.23 0.00 -1.57 0.00 0.00 52.86 49.40 3imx s ASN 83 Cb 0.00 0.47 0.05 0.00 -0.02 0.00 0.00 41.25 41.75 3imx s ASN 83 CO 0.00 -0.94 0.51 0.72 -2.57 0.00 0.00 177.10 174.82 3imx s PHE 84 N -3.34 -0.43 0.07 2.20 -0.71 -0.49 -2.61 117.98 112.67 3imx s PHE 84 Ca 0.30 0.64 0.05 0.00 -1.04 0.00 0.00 56.93 56.87 3imx s PHE 84 Cb 0.03 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.10 3imx s PHE 84 CO 0.17 -0.55 -0.14 -0.98 -1.34 0.00 0.00 175.22 172.39 3imx s ARG 85 N -1.63 0.80 -0.02 1.99 1.70 -0.84 -0.59 118.95 120.36 3imx s ARG 85 Ca -0.10 -0.94 0.02 0.00 -0.47 0.00 0.00 55.73 54.25 3imx s ARG 85 Cb -0.02 -0.79 -0.03 0.00 -0.57 0.00 0.00 34.95 33.54 3imx s ARG 85 CO 0.05 0.17 -0.05 0.08 -1.08 0.00 0.00 175.30 174.47 3imx s VAL 86 N -1.28 3.78 -0.01 4.99 1.01 -0.59 -1.63 120.40 126.67 3imx s VAL 86 Ca -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3imx s VAL 86 Cb -0.10 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.66 3imx s VAL 86 CO 0.02 0.44 -0.02 -0.32 0.00 0.00 0.00 175.10 175.22 3imx s MET 87 N -1.29 0.27 -0.22 2.72 1.75 -0.09 -1.61 119.30 120.82 3imx s MET 87 Ca 0.16 -0.06 -0.05 0.00 -1.25 0.00 0.00 55.69 54.49 3imx s MET 87 Cb -0.11 -0.31 -0.02 0.00 2.84 0.00 0.00 34.83 37.23 3imx s MET 87 CO 0.06 0.01 0.00 -1.17 -0.65 0.00 0.00 175.02 173.28 3imx s LEU 88 N 0.23 3.18 -0.17 4.11 1.98 0.16 -0.82 118.68 127.35 3imx s LEU 88 Ca -0.02 -0.27 -0.02 0.00 -2.89 0.00 0.00 54.13 50.94 3imx s LEU 88 Cb -0.05 -1.82 -0.01 0.00 0.66 0.00 0.00 46.19 44.98 3imx s LEU 88 CO -0.01 0.01 -0.10 -0.69 -1.89 0.00 0.00 176.35 173.67 3imx s VAL 89 N 1.31 3.05 -0.26 1.68 1.01 0.67 -1.03 120.40 126.82 3imx s VAL 89 Ca 0.04 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3imx s VAL 89 Cb -0.15 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3imx s VAL 89 CO 0.01 0.49 0.08 -0.75 0.00 0.00 0.00 175.10 174.92 3imx s LYS 90 N 0.94 3.52 -0.23 2.72 2.20 0.18 -1.09 119.74 127.99 3imx s LYS 90 Ca -0.02 -0.57 -0.08 0.00 -0.36 0.00 0.00 55.97 54.94 3imx s LYS 90 Cb -0.15 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3imx s LYS 90 CO -0.01 -0.25 0.09 0.08 -0.36 0.00 0.00 175.35 174.90 3imx s VAL 91 N 1.59 4.71 0.00 4.02 1.01 -0.01 -1.36 120.40 130.36 3imx s VAL 91 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3imx s VAL 91 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3imx s VAL 91 CO 0.03 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3imx n GLY 92 N 4.39 5.45 3.18 4.51 0.00 0.07 -0.81 105.19 121.98 3imx n GLY 92 Ca -0.16 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 3imx n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3imx s GLU 93 N 2.21 1.02 0.00 1.61 2.02 -1.26 -1.78 118.70 122.52 3imx s GLU 93 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.49 3imx s GLU 93 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.41 3imx s GLU 93 CO 0.00 -0.28 0.00 1.04 0.02 0.00 0.00 175.26 176.04 3imx n GLN 98 N -0.16 0.00 -2.74 1.61 1.13 -1.26 -4.47 117.38 111.48 3imx n GLN 98 Ca -0.04 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.67 3imx n GLN 98 Cb 0.64 -0.20 -0.06 0.00 0.11 0.00 0.00 30.24 30.73 3imx n GLN 98 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3imx s TRP 99 N -1.57 3.44 -0.04 1.08 0.52 -1.26 -5.07 118.94 116.03 3imx s TRP 99 Ca 0.00 1.68 0.05 0.00 0.02 0.00 0.00 56.10 57.85 3imx s TRP 99 Cb 0.00 -2.94 -0.01 0.00 -1.15 0.00 0.00 33.47 29.38 3imx s TRP 99 CO 0.00 -0.11 -0.19 -1.54 0.02 0.00 0.00 176.95 175.13 3imx s SER 100 N -1.84 2.34 -0.12 2.95 1.04 -0.73 -4.97 113.70 112.37 3imx s SER 100 Ca 0.57 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.61 3imx s SER 100 Cb -0.15 -0.61 0.03 0.00 0.10 0.00 0.00 66.02 65.38 3imx s SER 100 CO 0.20 0.18 -0.09 -0.69 0.98 0.00 0.00 173.24 173.82 3imx s VAL 101 N -0.05 1.14 -0.04 5.02 1.01 -1.26 -0.75 120.40 125.47 3imx s VAL 101 Ca -0.03 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3imx s VAL 101 Cb -0.12 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 3imx s VAL 101 CO 0.02 0.37 -0.19 -0.54 0.00 0.00 0.00 175.10 174.76 3imx s LYS 102 N 1.66 1.92 0.17 2.72 1.02 -0.46 -4.96 119.74 121.81 3imx s LYS 102 Ca 0.05 -0.68 0.09 0.00 0.02 0.00 0.00 55.97 55.45 3imx s LYS 102 Cb -0.13 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.47 3imx s LYS 102 CO -0.09 0.28 -0.18 0.95 -0.92 0.00 0.00 175.35 175.40 3imx s THR 103 N -0.04 1.85 0.07 2.17 -4.23 -1.26 0.51 115.64 114.70 3imx s THR 103 Ca -0.03 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 3imx s THR 103 Cb -0.12 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 3imx s THR 103 CO 0.02 -0.33 -0.08 -0.54 -0.54 0.00 0.00 174.62 173.15 3imx s LYS 104 N -2.86 0.68 0.31 3.99 1.02 -0.20 -4.98 119.74 117.69 3imx s LYS 104 Ca 0.17 -0.99 -0.16 0.00 0.02 0.00 0.00 55.97 55.01 3imx s LYS 104 Cb -0.05 -0.34 0.02 0.00 -0.52 0.00 0.00 37.83 36.94 3imx s LYS 104 CO 0.07 0.04 0.67 -3.38 -0.92 0.00 0.00 175.35 171.84 3imx s HIS 105 N -2.14 0.11 -0.19 3.18 -3.43 -1.26 -0.66 115.29 110.89 3imx s HIS 105 Ca -0.01 -0.59 -0.17 0.00 -0.80 0.00 0.00 55.06 53.49 3imx s HIS 105 Cb -0.05 0.58 0.05 0.00 -1.43 0.00 0.00 32.58 31.74 3imx s HIS 105 CO -0.01 -1.28 0.51 -1.14 -2.00 0.00 0.00 174.74 170.82 3imx s GLN 106 N -3.40 0.58 -0.03 -0.38 2.00 -0.63 -5.00 119.66 112.80 3imx s GLN 106 Ca 0.16 0.74 -0.03 0.00 -2.00 0.00 0.00 55.36 54.23 3imx s GLN 106 Cb -0.04 0.26 -0.04 0.00 0.80 0.00 0.00 33.01 33.98 3imx s GLN 106 CO 0.10 -0.08 0.16 -1.64 -0.50 0.00 0.00 175.29 173.32 3imx s MET 107 N 0.43 3.38 0.06 1.67 -1.94 -1.26 -1.54 119.30 120.10 3imx s MET 107 Ca -0.01 -0.30 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 3imx s MET 107 Cb -0.04 -3.08 -0.03 0.00 2.01 0.00 0.00 34.83 33.69 3imx s MET 107 CO -0.01 0.69 -0.06 0.71 -0.01 0.00 0.00 175.02 176.34 3imx s TYR 108 N -1.24 0.65 -0.05 -0.03 1.51 0.24 -5.00 117.35 113.43 3imx s TYR 108 Ca 0.24 -0.75 0.05 0.00 -1.01 0.00 0.00 57.07 55.60 3imx s TYR 108 Cb -0.12 -0.40 -0.01 0.00 -0.11 0.00 0.00 41.96 41.31 3imx s TYR 108 CO 0.15 -0.18 -0.22 -1.54 -1.11 0.00 0.00 175.55 172.65 3imx s SER 109 N -2.31 2.71 0.02 2.29 1.04 -1.26 -1.40 113.70 114.79 3imx s SER 109 Ca -0.00 -0.45 -0.30 0.00 0.48 0.00 0.00 55.95 55.67 3imx s SER 109 Cb -0.01 -0.78 -0.05 0.00 0.10 0.00 0.00 66.02 65.27 3imx s SER 109 CO -0.04 0.20 1.24 -0.51 0.98 0.00 0.00 173.24 175.12 3imx s ILE 110 N -0.05 4.00 0.00 -1.02 2.07 -1.08 -4.99 121.20 120.12 3imx s ILE 110 Ca -0.05 1.40 0.00 0.00 -1.41 0.00 0.00 60.65 60.59 3imx s ILE 110 Cb -0.13 -3.90 0.00 0.00 0.13 0.00 0.00 42.46 38.56 3imx s ILE 110 CO 0.03 0.06 0.00 -2.65 -1.91 0.00 0.00 174.94 170.48 3imx n PRO 111 N 4.50 2.12 -0.08 3.50 -0.02 -1.26 -4.86 135.00 138.92 3imx n PRO 111 Ca 0.10 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 3imx n PRO 111 Cb 0.46 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.86 3imx n PRO 111 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3imx n GLU 112 N 0.00 0.76 -0.36 -0.52 4.71 -1.26 -4.01 120.64 119.96 3imx n GLU 112 Ca 0.00 0.07 -0.01 0.00 -0.01 0.00 0.00 57.16 57.21 3imx n GLU 112 Cb 0.00 -1.32 -0.01 0.00 -1.01 0.00 0.00 31.44 29.10 3imx n GLU 112 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3imx n ASP 113 N -2.85 3.60 0.08 1.62 5.75 -1.26 -2.93 116.55 120.55 3imx n ASP 113 Ca -0.26 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 3imx n ASP 113 Cb 0.82 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 3imx n ASP 113 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3imx n ALA 114 N 1.73 2.00 0.05 2.12 0.00 -1.26 -4.55 120.51 120.60 3imx n ALA 114 Ca 0.02 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.65 3imx n ALA 114 Cb 0.35 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.31 3imx n ALA 114 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3imx h MET 115 N 0.00 0.00 0.00 0.00 1.85 -1.66 0.39 114.93 115.50 3imx h MET 115 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3imx h MET 115 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3imx h MET 115 CO 0.00 0.00 -1.25 0.25 -0.40 0.00 0.00 176.91 175.51 3imx n THR 116 N -3.19 0.00 -0.53 -0.77 -2.24 -1.19 -4.17 114.28 102.18 3imx n THR 116 Ca 0.11 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3imx n THR 116 Cb 1.00 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 3imx n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3imx n GLY 117 N 2.05 -1.02 3.86 3.38 0.00 0.14 -4.66 105.19 108.93 3imx n GLY 117 Ca -0.01 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 3imx n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3imx s THR 118 N -0.55 3.81 0.29 2.61 -4.23 -1.26 -2.58 115.64 113.73 3imx s THR 118 Ca 0.00 0.59 0.01 0.00 -1.18 0.00 0.00 61.69 61.11 3imx s THR 118 Cb 0.00 -3.51 0.13 0.00 1.34 0.00 0.00 72.50 70.46 3imx s THR 118 CO 0.00 -0.77 1.81 0.00 -0.54 0.00 0.00 174.62 175.12 3imx h ALA 119 N -0.64 1.22 -0.84 3.99 0.00 -1.40 -2.11 119.26 119.48 3imx h ALA 119 Ca -0.45 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 3imx h ALA 119 Cb 1.23 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3imx h ALA 119 CO 0.62 0.52 0.42 1.05 0.00 0.00 0.00 179.25 181.85 3imx h GLU 120 N 0.62 1.20 -0.57 0.00 9.09 -1.90 0.85 114.58 123.87 3imx h GLU 120 Ca 0.13 -0.17 -0.05 0.00 0.05 0.00 0.00 59.36 59.31 3imx h GLU 120 Cb 0.41 -0.22 -0.02 0.00 -1.65 0.00 0.00 28.75 27.27 3imx h GLU 120 CO 0.02 0.91 0.15 0.52 0.05 0.00 0.00 179.01 180.66 3imx h MET 121 N 1.18 0.90 0.23 1.06 2.86 -1.83 -1.02 114.93 118.31 3imx h MET 121 Ca 0.29 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3imx h MET 121 Cb 0.10 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3imx h MET 121 CO -0.04 0.83 -0.16 1.25 1.06 0.00 0.00 176.91 179.85 3imx h LEU 122 N 0.81 -0.41 -1.15 1.22 6.46 -0.71 -2.37 115.31 119.17 3imx h LEU 122 Ca 0.18 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.90 3imx h LEU 122 Cb 0.33 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 3imx h LEU 122 CO -0.00 -0.25 -0.35 -0.26 -0.62 0.00 0.00 178.44 176.95 3imx h PHE 123 N -0.39 0.00 -0.42 1.25 0.04 -0.78 -1.59 116.94 115.05 3imx h PHE 123 Ca -0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3imx h PHE 123 Cb 0.34 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3imx h PHE 123 CO -0.10 0.35 0.15 -0.44 -0.60 0.00 0.00 178.31 177.67 3imx h ASP 124 N 0.00 0.60 -0.58 2.17 3.32 -1.02 0.20 116.42 121.10 3imx h ASP 124 Ca -0.00 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 3imx h ASP 124 Cb 0.77 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3imx h ASP 124 CO 0.05 0.62 -0.03 0.22 -1.72 0.00 0.00 179.24 178.38 3imx h TYR 125 N 0.54 1.15 -0.65 4.55 3.20 -1.02 -0.70 116.97 124.03 3imx h TYR 125 Ca 0.14 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 3imx h TYR 125 Cb 0.22 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 3imx h TYR 125 CO 0.01 1.03 0.28 0.82 -1.64 0.00 0.00 178.16 178.66 3imx h ILE 126 N 0.93 1.23 -0.22 1.81 2.04 -1.04 -1.54 117.51 120.72 3imx h ILE 126 Ca 0.16 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 3imx h ILE 126 Cb 0.59 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3imx h ILE 126 CO 0.04 0.28 -0.13 0.28 0.00 0.00 0.00 178.15 178.61 3imx h SER 127 N 0.90 0.34 -0.36 1.72 0.02 -0.23 -1.10 113.55 114.84 3imx h SER 127 Ca 0.22 -0.08 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 3imx h SER 127 Cb 0.17 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3imx h SER 127 CO -0.02 0.50 -0.38 -0.08 -1.14 0.00 0.00 176.83 175.71 3imx h GLU 128 N 0.34 0.92 -0.60 3.45 4.81 -0.85 -0.80 114.58 121.85 3imx h GLU 128 Ca 0.07 -0.48 -0.10 0.00 -0.13 0.00 0.00 59.36 58.71 3imx h GLU 128 Cb 0.43 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3imx h GLU 128 CO 0.03 1.13 -0.02 0.00 -0.73 0.00 0.00 179.01 179.41 3imx h ILE 130 N 0.97 1.28 -0.76 0.00 2.04 -1.17 -1.03 117.51 118.84 3imx h ILE 130 Ca 0.17 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.43 3imx h ILE 130 Cb 0.59 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3imx h ILE 130 CO 0.04 0.51 0.32 -1.28 0.00 0.00 0.00 178.15 177.74 3imx h SER 131 N 0.63 1.04 -0.50 1.72 0.87 -0.84 -1.17 113.55 115.30 3imx h SER 131 Ca 0.05 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.33 3imx h SER 131 Cb 0.94 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 3imx h SER 131 CO 0.09 0.91 -0.18 -0.78 -0.53 0.00 0.00 176.83 176.33 3imx h ASP 132 N 1.09 1.04 -0.20 6.23 3.58 -1.08 -2.01 116.42 125.06 3imx h ASP 132 Ca 0.26 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 3imx h ASP 132 Cb 0.18 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 3imx h ASP 132 CO -0.02 1.18 0.12 0.15 -2.88 0.00 0.00 179.24 177.79 3imx h PHE 133 N 0.88 0.26 -0.62 0.28 3.04 -0.82 -0.96 116.94 119.01 3imx h PHE 133 Ca 0.12 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 3imx h PHE 133 Cb 0.76 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.16 3imx h PHE 133 CO 0.05 0.20 0.20 -0.07 -2.02 0.00 0.00 178.31 176.67 3imx h LEU 134 N 0.25 0.87 0.41 0.59 4.07 -1.19 -2.39 115.31 117.91 3imx h LEU 134 Ca 0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 3imx h LEU 134 Cb 0.01 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.53 3imx h LEU 134 CO -0.01 0.81 -0.20 0.44 -1.08 0.00 0.00 178.44 178.40 3imx h ASP 135 N 0.91 -0.46 -0.06 -0.43 3.32 -0.89 0.19 116.42 119.00 3imx h ASP 135 Ca 0.20 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.26 3imx h ASP 135 Cb 0.25 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3imx h ASP 135 CO -0.01 -0.29 0.13 0.11 -1.72 0.00 0.00 179.24 177.46 3imx h LYS 136 N -0.60 0.00 -0.32 3.56 1.79 -1.04 -0.68 116.57 119.27 3imx h LYS 136 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3imx h LYS 136 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3imx h LYS 136 CO 0.09 0.00 0.00 0.72 -1.08 0.00 0.00 179.45 179.18 3imx n HIS 137 N -3.36 0.64 -3.97 -1.35 8.25 -0.91 -4.98 115.22 109.55 3imx n HIS 137 Ca -0.01 -0.63 -0.29 0.00 -0.26 0.00 0.00 57.72 56.52 3imx n HIS 137 Cb 0.21 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.20 3imx n HIS 137 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3imx n GLN 138 N 0.18 -4.44 -1.38 -0.41 3.00 -0.26 -4.87 117.38 109.20 3imx n GLN 138 Ca 0.15 0.51 -0.17 0.00 -0.01 0.00 0.00 57.00 57.48 3imx n GLN 138 Cb 0.59 -5.16 0.11 0.00 0.00 0.00 0.00 30.24 25.77 3imx n GLN 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 3imx n MET 139 N -4.49 2.69 0.03 -1.09 2.81 0.56 -4.68 117.12 112.94 3imx n MET 139 Ca -0.07 -3.62 -0.21 0.00 -1.81 0.00 0.00 57.70 51.99 3imx n MET 139 Cb 0.57 -2.08 -0.14 0.00 -0.71 0.00 0.00 33.22 30.86 3imx n MET 139 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3imx h LYS 140 N 1.65 0.30 -0.24 0.03 1.63 -1.90 -3.39 116.57 114.65 3imx h LYS 140 Ca 0.34 -0.51 0.02 0.00 -0.85 0.00 0.00 60.65 59.65 3imx h LYS 140 Cb 1.42 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 33.22 3imx h LYS 140 CO 0.73 1.21 0.11 1.25 -3.45 0.00 0.00 179.45 179.30 3imx h HIS 141 N 0.08 0.20 -3.39 1.91 2.76 -1.95 -3.42 115.15 111.34 3imx h HIS 141 Ca -0.38 0.01 -0.55 0.00 -2.20 0.00 0.00 60.37 57.25 3imx h HIS 141 Cb 2.06 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 30.92 3imx h HIS 141 CO 0.08 0.11 0.20 0.21 -1.30 0.00 0.00 177.93 177.23 3imx s LYS 142 N -6.17 4.49 -0.29 5.26 2.47 -1.26 -5.02 119.74 119.21 3imx s LYS 142 Ca -0.13 1.10 -0.29 0.00 -1.56 0.00 0.00 55.97 55.09 3imx s LYS 142 Cb 0.09 -3.44 0.01 0.00 -1.46 0.00 0.00 37.83 33.04 3imx s LYS 142 CO 0.70 0.05 1.06 0.21 0.16 0.00 0.00 175.35 177.53 3imx s LYS 143 N 0.75 4.13 0.20 4.03 2.20 -1.26 -4.99 119.74 124.80 3imx s LYS 143 Ca 0.43 1.16 0.05 0.00 -0.36 0.00 0.00 55.97 57.25 3imx s LYS 143 Cb -0.19 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 3imx s LYS 143 CO 0.22 -0.81 0.25 -0.51 -0.36 0.00 0.00 175.35 174.15 3imx s LEU 144 N 3.49 4.09 0.28 5.43 1.43 -1.26 -4.94 118.68 127.21 3imx s LEU 144 Ca 0.45 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 3imx s LEU 144 Cb -0.13 -2.66 -0.08 0.00 0.03 0.00 0.00 46.19 43.35 3imx s LEU 144 CO 0.12 0.00 0.66 -2.16 0.23 0.00 0.00 176.35 175.21 3imx s PRO 145 N -3.54 3.94 -0.04 1.29 0.04 -1.26 -2.30 135.00 133.13 3imx s PRO 145 Ca 0.33 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.93 3imx s PRO 145 Cb -0.10 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.91 3imx s PRO 145 CO 0.27 0.23 -0.12 -1.17 0.04 0.00 0.00 177.00 176.26 3imx s LEU 146 N -2.84 1.75 -0.06 -3.56 2.96 0.95 -1.45 118.68 116.42 3imx s LEU 146 Ca 0.51 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 3imx s LEU 146 Cb -0.11 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 3imx s LEU 146 CO 0.19 0.07 0.08 -0.83 -1.32 0.00 0.00 176.35 174.54 3imx s GLY 147 N 0.32 2.01 -0.20 7.98 0.00 -0.62 -1.65 107.32 115.16 3imx s GLY 147 Ca -0.07 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 43.88 3imx s GLY 147 CO 0.02 -0.59 -0.13 -0.12 0.00 0.00 0.00 173.10 172.27 3imx s PHE 148 N -1.06 2.63 -0.25 1.90 5.36 0.21 -1.36 117.98 125.40 3imx s PHE 148 Ca 0.18 -1.71 -0.12 0.00 -0.96 0.00 0.00 56.93 54.33 3imx s PHE 148 Cb -0.12 -1.75 -0.05 0.00 -0.34 0.00 0.00 43.02 40.77 3imx s PHE 148 CO 0.08 -0.78 0.22 0.99 -1.46 0.00 0.00 175.22 174.28 3imx s THR 149 N 1.33 5.30 -0.22 0.12 2.01 0.11 -0.40 115.64 123.89 3imx s THR 149 Ca -0.01 0.28 -0.00 0.00 0.31 0.00 0.00 61.69 62.27 3imx s THR 149 Cb -0.16 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 68.85 3imx s THR 149 CO -0.09 0.28 -0.03 0.12 -0.69 0.00 0.00 174.62 174.21 3imx s PHE 150 N 1.43 2.02 -0.01 4.92 5.36 0.05 -0.32 117.98 131.43 3imx s PHE 150 Ca 0.10 -1.51 -0.05 0.00 -0.96 0.00 0.00 56.93 54.51 3imx s PHE 150 Cb -0.15 -1.43 -0.22 0.00 -0.34 0.00 0.00 43.02 40.89 3imx s PHE 150 CO 0.08 -0.73 3.33 0.43 -1.46 0.00 0.00 175.22 176.86 3imx n SER 151 N 4.78 5.28 -4.07 6.13 7.64 -0.83 -4.18 113.62 128.36 3imx n SER 151 Ca -0.11 -2.48 -0.08 0.00 1.01 0.00 0.00 58.87 57.21 3imx n SER 151 Cb 0.45 -1.37 -0.10 0.00 -1.01 0.00 0.00 64.21 62.19 3imx n SER 151 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3imx s PHE 152 N 0.78 0.54 -0.01 1.43 0.08 -1.26 -4.90 117.98 114.64 3imx s PHE 152 Ca 0.55 -1.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.27 3imx s PHE 152 Cb 0.26 -0.36 -0.07 0.00 -0.57 0.00 0.00 43.02 42.28 3imx s PHE 152 CO -0.00 -0.44 1.83 -2.14 -0.10 0.00 0.00 175.22 174.37 3imx s PRO 153 N -3.94 4.15 -0.03 0.24 0.02 -1.26 -4.95 135.00 129.24 3imx s PRO 153 Ca 0.10 2.42 0.03 0.00 0.02 0.00 0.00 61.00 63.57 3imx s PRO 153 Cb 0.07 -4.08 -0.00 0.00 0.02 0.00 0.00 34.50 30.51 3imx s PRO 153 CO -0.08 -0.91 -0.12 0.08 -0.33 0.00 0.00 177.00 175.64 3imx s VAL 154 N 4.29 1.02 -0.38 3.83 1.01 -1.26 -1.67 120.40 127.25 3imx s VAL 154 Ca 0.82 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 3imx s VAL 154 Cb -0.38 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.11 3imx s VAL 154 CO 0.36 0.30 0.48 -0.60 0.00 0.00 0.00 175.10 175.65 3imx s ARG 155 N 0.06 3.45 0.25 2.72 3.52 -0.23 -4.89 118.95 123.84 3imx s ARG 155 Ca -0.02 -0.37 -0.21 0.00 -0.13 0.00 0.00 55.73 55.00 3imx s ARG 155 Cb -0.09 -3.86 -0.09 0.00 -1.56 0.00 0.00 34.95 29.35 3imx s ARG 155 CO 0.01 -0.71 0.77 -1.01 -0.81 0.00 0.00 175.30 173.55 3imx s HIS 156 N 2.31 3.63 -0.05 5.12 3.76 -1.26 -1.31 115.29 127.49 3imx s HIS 156 Ca 0.16 1.46 0.11 0.00 -0.15 0.00 0.00 55.06 56.64 3imx s HIS 156 Cb -0.16 -2.68 -0.16 0.00 1.11 0.00 0.00 32.58 30.69 3imx s HIS 156 CO 0.14 0.29 0.17 -1.91 -0.85 0.00 0.00 174.74 172.57 3imx n GLU 157 N 0.59 1.12 -2.91 1.40 2.13 0.11 -4.96 120.64 118.11 3imx n GLU 157 Ca -0.01 -0.06 -0.05 0.00 0.66 0.00 0.00 57.16 57.70 3imx n GLU 157 Cb 0.51 -1.27 0.02 0.00 0.27 0.00 0.00 31.44 30.96 3imx n GLU 157 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3imx n ASP 158 N -2.10 -1.40 0.20 4.31 -0.08 -1.04 -4.97 116.55 111.47 3imx n ASP 158 Ca -0.08 -1.90 0.15 0.00 -1.51 0.00 0.00 54.79 51.44 3imx n ASP 158 Cb 0.52 2.32 0.58 0.00 2.34 0.00 0.00 41.12 46.88 3imx n ASP 158 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3imx h ILE 159 N 1.66 0.00 -0.05 5.18 2.10 -1.81 -3.08 117.51 121.51 3imx h ILE 159 Ca -0.21 -0.38 -0.08 0.00 1.08 0.00 0.00 64.86 65.28 3imx h ILE 159 Cb 0.81 1.25 -0.12 0.00 -1.09 0.00 0.00 36.82 37.67 3imx h ILE 159 CO 0.27 0.00 -0.66 -0.90 -1.08 0.00 0.00 178.15 175.78 3imx n ASP 160 N -2.66 1.70 -3.62 2.19 5.75 -1.26 -0.74 116.55 117.91 3imx n ASP 160 Ca 0.01 -3.40 -0.06 0.00 -0.01 0.00 0.00 54.79 51.33 3imx n ASP 160 Cb 0.27 -0.46 -0.08 0.00 -1.03 0.00 0.00 41.12 39.82 3imx n ASP 160 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3imx s LYS 161 N -2.48 0.39 -0.20 0.11 2.20 -1.16 -4.84 119.74 113.76 3imx s LYS 161 Ca 0.37 1.10 -0.25 0.00 -0.36 0.00 0.00 55.97 56.84 3imx s LYS 161 Cb 0.38 0.41 0.06 0.00 -1.51 0.00 0.00 37.83 37.17 3imx s LYS 161 CO -0.09 -0.28 0.66 0.20 -0.36 0.00 0.00 175.35 175.48 3imx s GLY 162 N 2.68 -0.50 -0.11 5.54 0.00 -1.26 0.05 107.32 113.71 3imx s GLY 162 Ca -0.01 1.70 -0.04 0.00 0.00 0.00 0.00 44.72 46.37 3imx s GLY 162 CO -0.15 1.42 0.03 -0.26 0.00 0.00 0.00 173.10 174.15 3imx s ILE 163 N -0.04 4.57 0.07 0.90 -5.25 -0.43 -0.84 121.20 120.18 3imx s ILE 163 Ca -0.03 -0.14 -0.31 0.00 -0.99 0.00 0.00 60.65 59.18 3imx s ILE 163 Cb -0.04 -2.96 -0.08 0.00 2.95 0.00 0.00 42.46 42.34 3imx s ILE 163 CO 0.03 0.58 1.52 -0.22 -1.79 0.00 0.00 174.94 175.06 3imx s LEU 164 N -0.62 4.35 -0.08 0.37 2.96 -0.67 -1.07 118.68 123.93 3imx s LEU 164 Ca 0.11 2.36 -0.24 0.00 -0.22 0.00 0.00 54.13 56.14 3imx s LEU 164 Cb -0.12 -3.57 -0.29 0.00 0.50 0.00 0.00 46.19 42.72 3imx s LEU 164 CO 0.02 -0.79 0.88 -0.07 -1.32 0.00 0.00 176.35 175.07 3imx h LEU 165 N 7.96 0.30 -7.00 -0.68 3.38 -1.68 0.44 115.31 118.03 3imx h LEU 165 Ca -0.41 -0.94 0.15 0.00 0.09 0.00 0.00 57.88 56.76 3imx h LEU 165 Cb 1.20 -0.10 -0.26 0.00 0.09 0.00 0.00 40.66 41.59 3imx h LEU 165 CO 0.91 1.22 0.71 0.54 0.09 0.00 0.00 178.44 181.91 3imx s ASN 166 N -6.65 -0.23 0.77 -0.43 4.22 -1.26 -4.61 114.94 106.74 3imx s ASN 166 Ca -0.16 0.29 -0.11 0.00 -2.14 0.00 0.00 52.86 50.75 3imx s ASN 166 Cb -0.00 0.24 0.05 0.00 1.28 0.00 0.00 41.25 42.82 3imx s ASN 166 CO 0.78 -0.19 1.09 0.26 -2.04 0.00 0.00 177.10 177.00 3imx s TRP 167 N -0.84 2.61 0.26 1.54 0.52 -1.26 -4.27 118.94 117.49 3imx s TRP 167 Ca 0.03 1.55 -0.01 0.00 0.02 0.00 0.00 56.10 57.70 3imx s TRP 167 Cb -0.01 -3.04 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 3imx s TRP 167 CO -0.04 -1.77 0.26 0.95 0.02 0.00 0.00 176.95 176.37 3imx s THR 168 N -2.90 0.00 -1.92 2.01 -4.23 -1.26 -4.89 115.64 102.45 3imx s THR 168 Ca 0.61 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 3imx s THR 168 Cb -0.17 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3imx s THR 168 CO 0.56 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.93 3imx n LYS 169 N -0.42 -1.40 -1.52 3.99 5.02 -1.26 -2.46 118.16 120.11 3imx n LYS 169 Ca 0.03 1.10 -0.13 0.00 -2.02 0.00 0.00 58.31 57.30 3imx n LYS 169 Cb 0.64 -5.50 -0.05 0.00 -0.02 0.00 0.00 35.03 30.11 3imx n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3imx n GLY 170 N -0.73 1.08 3.89 0.72 0.00 -1.26 -5.00 105.19 103.89 3imx n GLY 170 Ca -0.20 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 3imx n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3imx s PHE 171 N -2.50 3.50 0.14 1.61 5.36 -1.03 -5.03 117.98 120.03 3imx s PHE 171 Ca 0.00 0.84 -0.15 0.00 -0.96 0.00 0.00 56.93 56.66 3imx s PHE 171 Cb 0.00 -2.29 0.03 0.00 -0.34 0.00 0.00 43.02 40.42 3imx s PHE 171 CO 0.00 -0.07 0.40 0.21 -1.46 0.00 0.00 175.22 174.29 3imx s LYS 172 N -4.06 1.13 0.00 10.12 2.47 -1.26 -4.53 119.74 123.61 3imx s LYS 172 Ca 0.48 -0.82 0.00 0.00 -1.56 0.00 0.00 55.97 54.07 3imx s LYS 172 Cb -0.10 0.46 0.00 0.00 -1.46 0.00 0.00 37.83 36.73 3imx s LYS 172 CO 0.35 -0.44 0.00 0.00 0.16 0.00 0.00 175.35 175.42 3imx n ALA 173 N -0.23 0.00 -0.61 3.13 0.00 -1.26 -4.45 120.51 117.08 3imx n ALA 173 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 3imx n ALA 173 Cb 0.63 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.31 3imx n ALA 173 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3imx s SER 174 N 0.00 1.55 -1.37 0.00 1.04 -1.07 -3.61 113.70 110.25 3imx s SER 174 Ca 0.00 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.12 3imx s SER 174 Cb 0.00 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.75 3imx s SER 174 CO 0.00 -3.87 0.00 0.61 0.98 0.00 0.00 173.24 170.96 3imx n GLY 175 N 0.56 1.29 0.33 7.32 0.00 -1.26 -1.19 105.19 112.24 3imx n GLY 175 Ca 0.05 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 3imx n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imx n ALA 176 N 1.24 1.77 -1.75 4.61 0.00 -1.24 -4.72 120.51 120.42 3imx n ALA 176 Ca -0.13 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 3imx n ALA 176 Cb 0.54 0.22 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 3imx n ALA 176 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3imx s GLU 177 N -2.33 4.12 0.00 0.00 2.02 -1.26 -1.28 118.70 119.96 3imx s GLU 177 Ca -0.25 2.59 0.00 0.00 0.02 0.00 0.00 54.97 57.34 3imx s GLU 177 Cb 0.09 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3imx s GLU 177 CO 0.34 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.36 3imx n GLY 178 N 2.73 1.50 3.85 -1.39 0.00 0.15 -4.96 105.19 107.07 3imx n GLY 178 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3imx n GLY 178 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3imx s ASN 179 N -3.23 5.90 -0.45 1.61 -0.87 -0.41 -4.84 114.94 112.66 3imx s ASN 179 Ca 0.00 0.09 -0.29 0.00 -1.57 0.00 0.00 52.86 51.09 3imx s ASN 179 Cb 0.00 -1.69 0.01 0.00 -0.02 0.00 0.00 41.25 39.55 3imx s ASN 179 CO 0.00 0.14 1.41 0.21 -2.57 0.00 0.00 177.10 176.30 3imx s ASN 180 N -2.64 6.28 0.31 -1.22 2.47 -1.26 -1.67 114.94 117.21 3imx s ASN 180 Ca 0.32 0.70 0.00 0.00 0.42 0.00 0.00 52.86 54.30 3imx s ASN 180 Cb -0.12 -2.54 0.53 0.00 -1.45 0.00 0.00 41.25 37.67 3imx s ASN 180 CO 0.25 -1.50 1.95 0.58 -3.72 0.00 0.00 177.10 174.66 3imx h VAL 181 N 6.46 1.14 -0.65 -5.21 2.07 -1.33 -1.26 116.25 117.46 3imx h VAL 181 Ca -0.27 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 3imx h VAL 181 Cb 1.10 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3imx h VAL 181 CO 1.11 0.19 0.17 0.58 0.02 0.00 0.00 177.57 179.63 3imx h VAL 182 N 1.02 1.25 -0.57 2.57 2.07 -1.89 -1.99 116.25 118.71 3imx h VAL 182 Ca 0.32 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 3imx h VAL 182 Cb 0.03 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3imx h VAL 182 CO -0.09 0.35 0.26 1.23 0.02 0.00 0.00 177.57 179.33 3imx h GLY 183 N 0.95 0.87 0.99 2.17 0.00 -1.63 0.16 103.07 106.58 3imx h GLY 183 Ca 0.20 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3imx h GLY 183 CO -0.00 0.39 0.25 1.41 0.00 0.00 0.00 176.54 178.59 3imx h LEU 184 N 0.81 0.79 -0.45 3.11 3.38 -0.59 0.42 115.31 122.79 3imx h LEU 184 Ca 0.20 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3imx h LEU 184 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3imx h LEU 184 CO -0.02 0.73 -0.43 0.25 0.09 0.00 0.00 178.44 179.06 3imx h LEU 185 N 0.80 0.88 -0.41 1.67 5.85 -0.84 -2.43 115.31 120.83 3imx h LEU 185 Ca 0.20 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 3imx h LEU 185 Cb 0.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3imx h LEU 185 CO -0.02 1.19 0.13 -0.09 -0.34 0.00 0.00 178.44 179.31 3imx h ARG 186 N 0.66 0.64 -0.13 1.25 9.65 -0.36 -1.37 114.38 124.72 3imx h ARG 186 Ca 0.05 -0.13 0.01 0.00 -1.10 0.00 0.00 59.98 58.80 3imx h ARG 186 Cb 1.00 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.48 3imx h ARG 186 CO 0.10 0.63 0.04 -0.44 2.80 0.00 0.00 179.97 183.10 3imx h ASP 187 N 0.52 0.05 -0.56 -3.80 3.32 -0.08 -1.02 116.42 114.84 3imx h ASP 187 Ca 0.13 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.20 3imx h ASP 187 Cb 0.25 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3imx h ASP 187 CO -0.00 0.05 0.36 0.00 -1.72 0.00 0.00 179.24 177.93 3imx h ALA 188 N 1.08 0.71 -0.68 3.45 0.00 -1.31 0.13 119.26 122.64 3imx h ALA 188 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3imx h ALA 188 Cb 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3imx h ALA 188 CO -0.06 0.13 0.45 0.82 0.00 0.00 0.00 179.25 180.59 3imx h ILE 189 N 0.74 1.10 0.25 0.00 2.04 -1.02 -2.18 117.51 118.43 3imx h ILE 189 Ca 0.21 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3imx h ILE 189 Cb -0.07 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 3imx h ILE 189 CO -0.05 0.15 -0.12 0.50 0.00 0.00 0.00 178.15 178.63 3imx h LYS 190 N 0.83 -0.32 -0.44 2.37 1.63 0.25 -2.63 116.57 118.27 3imx h LYS 190 Ca 0.27 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.22 3imx h LYS 190 Cb 0.05 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 3imx h LYS 190 CO -0.07 -0.07 0.34 0.00 -3.45 0.00 0.00 179.45 176.19 3imx h ARG 191 N -0.53 0.00 -0.26 1.90 3.08 -0.33 0.11 114.38 118.35 3imx h ARG 191 Ca -0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 3imx h ARG 191 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3imx h ARG 191 CO 0.06 0.00 -0.32 -0.09 -1.07 0.00 0.00 179.97 178.54 3imx h ARG 192 N 0.00 0.67 -0.64 0.04 9.65 -1.18 -3.46 114.38 119.46 3imx h ARG 192 Ca 0.21 -0.38 -0.14 0.00 -1.10 0.00 0.00 59.98 58.57 3imx h ARG 192 Cb 0.88 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.43 3imx h ARG 192 CO -0.00 0.99 -0.13 0.41 2.80 0.00 0.00 179.97 184.05 3imx n GLY 193 N 0.24 0.64 0.86 2.80 0.00 0.36 -4.75 105.19 105.35 3imx n GLY 193 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 3imx n GLY 193 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3imx n ASP 194 N -0.11 3.20 -3.56 1.61 5.75 -1.26 -4.99 116.55 117.18 3imx n ASP 194 Ca -0.07 -1.97 -0.11 0.00 -0.01 0.00 0.00 54.79 52.63 3imx n ASP 194 Cb 0.39 -0.29 -0.05 0.00 -1.03 0.00 0.00 41.12 40.14 3imx n ASP 194 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3imx s PHE 195 N -1.02 -0.39 0.12 2.11 -0.71 -1.26 -5.09 117.98 111.74 3imx s PHE 195 Ca 0.31 0.60 0.03 0.00 -1.04 0.00 0.00 56.93 56.83 3imx s PHE 195 Cb 0.16 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.40 3imx s PHE 195 CO 0.21 -0.40 0.16 -1.21 -1.34 0.00 0.00 175.22 172.65 3imx s GLU 196 N -1.45 3.08 -0.28 1.99 2.02 -1.26 -4.87 118.70 117.92 3imx s GLU 196 Ca -0.01 -0.70 -0.17 0.00 0.02 0.00 0.00 54.97 54.11 3imx s GLU 196 Cb -0.00 -2.79 0.11 0.00 0.10 0.00 0.00 34.13 31.55 3imx s GLU 196 CO 0.01 0.53 0.86 1.41 0.02 0.00 0.00 175.26 178.09 3imx s MET 197 N -2.82 0.54 -0.31 1.61 1.75 -1.26 -4.29 119.30 114.51 3imx s MET 197 Ca 0.32 0.89 -0.13 0.00 -1.25 0.00 0.00 55.69 55.52 3imx s MET 197 Cb -0.11 0.13 -0.03 0.00 2.84 0.00 0.00 34.83 37.66 3imx s MET 197 CO 0.25 -0.11 0.26 -0.51 -0.65 0.00 0.00 175.02 174.26 3imx s ASP 198 N 1.33 6.09 -0.48 1.11 1.01 -0.97 -4.98 116.67 119.76 3imx s ASP 198 Ca -0.08 -0.19 -0.23 0.00 0.71 0.00 0.00 52.55 52.76 3imx s ASP 198 Cb -0.04 -2.15 0.03 0.00 1.01 0.00 0.00 42.92 41.77 3imx s ASP 198 CO -0.15 -0.19 0.79 -0.69 0.21 0.00 0.00 175.17 175.14 3imx s VAL 199 N 1.82 4.63 -1.59 -1.27 1.01 -1.26 -0.04 120.40 123.70 3imx s VAL 199 Ca 0.08 0.25 0.23 0.00 0.00 0.00 0.00 61.98 62.54 3imx s VAL 199 Cb -0.17 -4.36 -0.00 0.00 0.00 0.00 0.00 36.38 31.85 3imx s VAL 199 CO 0.11 -0.82 1.19 1.33 0.00 0.00 0.00 175.10 176.91 3imx n VAL 200 N 6.06 0.00 -3.61 2.92 0.24 -0.66 -4.93 118.33 118.35 3imx n VAL 200 Ca 0.01 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.34 62.10 3imx n VAL 200 Cb 0.48 0.88 -0.05 0.00 -1.47 0.00 0.00 33.84 33.67 3imx n VAL 200 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3imx s ALA 201 N -2.68 -2.02 -0.06 2.33 0.00 -1.25 -4.45 121.76 113.63 3imx s ALA 201 Ca 0.16 1.73 0.01 0.00 0.00 0.00 0.00 51.96 53.86 3imx s ALA 201 Cb 0.18 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 22.13 3imx s ALA 201 CO 0.65 -0.25 -0.07 1.41 0.00 0.00 0.00 175.76 177.50 3imx s MET 202 N -0.68 1.19 0.12 0.00 1.75 0.08 -0.62 119.30 121.14 3imx s MET 202 Ca 0.03 -0.20 0.03 0.00 -1.25 0.00 0.00 55.69 54.30 3imx s MET 202 Cb -0.02 -1.14 -0.04 0.00 2.84 0.00 0.00 34.83 36.47 3imx s MET 202 CO -0.04 -0.10 -0.08 0.14 -0.65 0.00 0.00 175.02 174.29 3imx s VAL 203 N 1.06 0.91 0.62 10.11 -7.23 0.47 -4.77 120.40 121.56 3imx s VAL 203 Ca -0.08 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.03 3imx s VAL 203 Cb -0.14 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 3imx s VAL 203 CO -0.01 -0.78 1.03 0.21 -0.31 0.00 0.00 175.10 175.25 3imx s ASN 204 N -2.99 6.07 0.50 4.85 3.84 -1.26 -0.77 114.94 125.17 3imx s ASN 204 Ca 0.13 1.51 0.25 0.00 0.21 0.00 0.00 52.86 54.96 3imx s ASN 204 Cb 0.03 -2.49 1.31 0.00 -0.55 0.00 0.00 41.25 39.55 3imx s ASN 204 CO -0.02 -0.97 2.02 -2.24 -2.79 0.00 0.00 177.10 173.10 3imx h ASP 205 N -0.17 0.00 -0.37 -4.21 2.03 -1.92 -1.38 116.42 110.41 3imx h ASP 205 Ca -0.45 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.78 3imx h ASP 205 Cb 1.20 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 3imx h ASP 205 CO 0.60 0.15 -0.05 0.71 -1.03 0.00 0.00 179.24 179.63 3imx h THR 206 N 0.00 1.27 -0.01 1.15 1.35 -1.92 -1.40 112.91 113.35 3imx h THR 206 Ca -0.00 -1.09 -0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3imx h THR 206 Cb 0.41 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3imx h THR 206 CO 0.02 0.36 0.00 0.58 -0.25 0.00 0.00 175.52 176.23 3imx h VAL 207 N 0.49 1.16 -1.00 6.82 2.07 -1.71 -0.93 116.25 123.15 3imx h VAL 207 Ca 0.10 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3imx h VAL 207 Cb 0.54 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3imx h VAL 207 CO 0.03 0.12 0.65 0.00 0.02 0.00 0.00 177.57 178.40 3imx h ALA 208 N 0.81 1.33 -0.44 1.67 0.00 -1.29 -0.67 119.26 120.67 3imx h ALA 208 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3imx h ALA 208 Cb 0.20 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3imx h ALA 208 CO -0.00 0.54 0.17 1.15 0.00 0.00 0.00 179.25 181.11 3imx h THR 209 N 1.26 1.21 -0.71 0.00 2.02 -1.02 -0.47 112.91 115.20 3imx h THR 209 Ca 0.40 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3imx h THR 209 Cb 0.01 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3imx h THR 209 CO -0.13 0.24 0.31 -0.03 0.37 0.00 0.00 175.52 176.28 3imx h MET 210 N 0.57 1.04 -0.36 6.66 -1.53 -0.53 -2.36 114.93 118.42 3imx h MET 210 Ca 0.15 -0.16 -0.16 0.00 -3.44 0.00 0.00 59.70 56.09 3imx h MET 210 Cb 0.21 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.07 3imx h MET 210 CO -0.01 0.82 -0.39 0.82 0.14 0.00 0.00 176.91 178.29 3imx h ILE 211 N 1.02 1.28 -0.50 1.77 2.04 -0.86 0.91 117.51 123.16 3imx h ILE 211 Ca 0.24 -1.57 -0.07 0.00 1.00 0.00 0.00 64.86 64.47 3imx h ILE 211 Cb 0.16 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3imx h ILE 211 CO -0.03 0.52 0.05 -1.28 0.00 0.00 0.00 178.15 177.41 3imx h SER 212 N 0.71 0.77 0.61 1.72 0.87 -0.90 -2.07 113.55 115.25 3imx h SER 212 Ca 0.06 -0.17 -0.22 0.00 -1.23 0.00 0.00 61.79 60.23 3imx h SER 212 Cb 0.97 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 3imx h SER 212 CO 0.09 0.81 -0.98 0.00 -0.53 0.00 0.00 176.83 176.22 3imx h TYR 214 N 0.10 0.81 -0.58 0.00 3.20 -0.46 0.38 116.97 120.43 3imx h TYR 214 Ca -0.06 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.92 3imx h TYR 214 Cb 1.65 -0.27 -0.08 0.00 1.54 0.00 0.00 36.73 39.57 3imx h TYR 214 CO 0.04 0.49 0.17 -0.92 -1.64 0.00 0.00 178.16 176.30 3imx h TYR 215 N 0.85 0.29 0.00 -3.82 3.20 -1.34 -2.36 116.97 113.80 3imx h TYR 215 Ca 0.26 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.06 3imx h TYR 215 Cb 0.01 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3imx h TYR 215 CO -0.00 0.04 -0.80 0.93 -1.64 0.00 0.00 178.16 176.69 3imx h GLU 216 N 0.33 0.00 -2.24 1.82 5.08 -1.41 -3.44 114.58 114.72 3imx h GLU 216 Ca 0.30 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.36 3imx h GLU 216 Cb 0.40 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.31 3imx h GLU 216 CO -0.34 0.36 -0.61 0.34 -1.00 0.00 0.00 179.01 177.76 3imx s ASP 217 N -6.14 1.39 0.00 1.42 -1.08 0.03 -5.02 116.67 107.27 3imx s ASP 217 Ca 0.02 -0.44 0.11 0.00 -0.52 0.00 0.00 52.55 51.72 3imx s ASP 217 Cb 0.08 0.55 0.58 0.00 -1.46 0.00 0.00 42.92 42.67 3imx s ASP 217 CO 0.76 -0.36 1.18 1.41 0.52 0.00 0.00 175.17 178.69 3imx n HIS 218 N 5.32 0.00 1.21 -5.34 8.25 -1.13 -1.05 115.22 122.49 3imx n HIS 218 Ca -0.03 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.56 3imx n HIS 218 Cb 0.48 -0.18 0.57 0.00 1.12 0.00 0.00 29.99 31.98 3imx n HIS 218 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3imx n GLN 219 N -1.18 0.32 -2.27 -0.41 1.13 -1.26 -4.76 117.38 108.95 3imx n GLN 219 Ca 0.06 -0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.62 3imx n GLN 219 Cb 0.07 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 3imx n GLN 219 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3imx n GLU 221 N 8.55 0.82 -3.77 0.00 1.02 -1.06 -4.62 120.64 121.58 3imx n GLU 221 Ca 0.16 -2.10 -0.14 0.00 -0.02 0.00 0.00 57.16 55.05 3imx n GLU 221 Cb 0.49 -1.11 -0.15 0.00 -0.02 0.00 0.00 31.44 30.65 3imx n GLU 221 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3imx s VAL 222 N -1.83 -0.05 0.06 2.62 1.01 -1.24 -1.31 120.40 119.65 3imx s VAL 222 Ca 0.22 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.47 3imx s VAL 222 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.42 3imx s VAL 222 CO 0.00 0.08 -0.19 -0.83 0.00 0.00 0.00 175.10 174.16 3imx s GLY 223 N 1.05 1.57 -0.02 4.51 0.00 -0.20 -1.21 107.32 113.02 3imx s GLY 223 Ca -0.09 -1.24 -0.13 0.00 0.00 0.00 0.00 44.72 43.27 3imx s GLY 223 CO -0.04 -1.14 0.29 -0.29 0.00 0.00 0.00 173.10 171.91 3imx s MET 224 N -1.54 0.61 -0.06 2.90 1.75 0.32 -1.44 119.30 121.84 3imx s MET 224 Ca 0.15 -0.16 0.01 0.00 -1.25 0.00 0.00 55.69 54.44 3imx s MET 224 Cb -0.10 0.27 0.02 0.00 2.84 0.00 0.00 34.83 37.86 3imx s MET 224 CO 0.06 -0.16 -0.07 0.42 -0.65 0.00 0.00 175.02 174.61 3imx s ILE 225 N -1.19 0.80 -0.49 10.11 -1.09 -0.67 -1.29 121.20 127.38 3imx s ILE 225 Ca -0.12 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.07 3imx s ILE 225 Cb -0.05 -0.79 0.15 0.00 -1.58 0.00 0.00 42.46 40.19 3imx s ILE 225 CO 0.03 0.29 0.32 -0.69 -1.23 0.00 0.00 174.94 173.67 3imx s VAL 226 N 0.99 1.42 0.00 2.92 1.01 -0.62 -2.19 120.40 123.93 3imx s VAL 226 Ca -0.09 -2.95 0.00 0.00 0.00 0.00 0.00 61.98 58.93 3imx s VAL 226 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.26 3imx s VAL 226 CO 0.00 -1.01 0.00 0.61 0.00 0.00 0.00 175.10 174.70 3imx n GLY 227 N 3.01 3.83 0.36 4.51 0.00 -1.26 -1.48 105.19 114.16 3imx n GLY 227 Ca 0.17 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.80 3imx n GLY 227 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3imx h THR 228 N 0.00 1.04 -4.82 2.61 2.02 -1.93 0.45 112.91 112.28 3imx h THR 228 Ca 0.00 -0.33 -0.53 0.00 0.77 0.00 0.00 66.41 66.32 3imx h THR 228 Cb 0.00 -0.01 -0.10 0.00 -1.74 0.00 0.00 68.15 66.29 3imx h THR 228 CO 0.00 0.18 -0.40 0.61 0.37 0.00 0.00 175.52 176.28 3imx n GLY 229 N -1.40 3.60 2.77 2.16 0.00 -1.26 -1.45 105.19 109.61 3imx n GLY 229 Ca 0.14 -2.28 -0.19 0.00 0.00 0.00 0.00 46.02 43.68 3imx n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imx s ASN 231 N 1.51 -0.26 -0.03 0.00 2.47 -0.93 -3.78 114.94 113.92 3imx s ASN 231 Ca -0.03 -0.56 -0.16 0.00 0.42 0.00 0.00 52.86 52.53 3imx s ASN 231 Cb -0.13 0.64 0.03 0.00 -1.45 0.00 0.00 41.25 40.34 3imx s ASN 231 CO -0.03 -1.17 0.34 0.00 -3.72 0.00 0.00 177.10 172.52 3imx s ALA 232 N -3.90 -0.86 0.15 1.71 0.00 -1.26 -1.67 121.76 115.93 3imx s ALA 232 Ca 0.11 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.60 3imx s ALA 232 Cb -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3imx s ALA 232 CO 0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 175.76 175.41 3imx s TYR 234 N -3.11 -0.47 -0.31 0.00 1.13 -0.91 -1.04 117.35 112.64 3imx s TYR 234 Ca 0.17 0.23 -0.23 0.00 -1.41 0.00 0.00 57.07 55.82 3imx s TYR 234 Cb 0.01 0.57 0.00 0.00 -1.10 0.00 0.00 41.96 41.44 3imx s TYR 234 CO 0.02 -0.90 0.76 -1.64 -2.51 0.00 0.00 175.55 171.29 3imx s MET 235 N -3.78 3.93 0.08 -3.49 -1.94 -0.43 -0.89 119.30 112.79 3imx s MET 235 Ca 0.03 0.51 0.04 0.00 -1.71 0.00 0.00 55.69 54.56 3imx s MET 235 Cb -0.02 -3.74 -0.04 0.00 2.01 0.00 0.00 34.83 33.05 3imx s MET 235 CO -0.10 -0.68 0.02 -2.00 -0.01 0.00 0.00 175.02 172.25 3imx s GLU 236 N 2.92 2.64 0.34 2.03 2.56 -0.75 -4.88 118.70 123.55 3imx s GLU 236 Ca 0.31 -0.79 -0.29 0.00 0.00 0.00 0.00 54.97 54.21 3imx s GLU 236 Cb -0.14 -2.59 -0.11 0.00 2.00 0.00 0.00 34.13 33.29 3imx s GLU 236 CO 0.13 0.55 1.40 -1.21 -0.56 0.00 0.00 175.26 175.57 3imx s GLU 237 N -2.27 4.25 0.27 4.30 0.41 -1.26 -1.30 118.70 123.10 3imx s GLU 237 Ca 0.26 2.37 -0.04 0.00 -0.41 0.00 0.00 54.97 57.15 3imx s GLU 237 Cb -0.12 -3.04 0.35 0.00 -1.78 0.00 0.00 34.13 29.54 3imx s GLU 237 CO 0.19 -0.35 1.94 0.52 -0.49 0.00 0.00 175.26 177.07 3imx h MET 238 N 3.48 1.21 -0.05 1.61 2.86 -1.41 -1.01 114.93 121.62 3imx h MET 238 Ca -0.49 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.09 3imx h MET 238 Cb 1.23 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 3imx h MET 238 CO 0.67 0.80 0.11 -0.56 1.06 0.00 0.00 176.91 178.99 3imx h GLN 239 N 1.25 0.00 0.00 1.72 -0.00 -1.68 0.63 115.11 117.03 3imx h GLN 239 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.99 3imx h GLN 239 Cb -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.35 3imx h GLN 239 CO -0.08 0.00 -0.66 -0.91 -0.00 0.00 0.00 178.83 177.18 3imx h ASN 240 N 0.00 0.00 -2.15 0.06 2.35 -1.53 -3.40 115.58 110.90 3imx h ASN 240 Ca 0.02 -0.15 -0.71 0.00 -0.55 0.00 0.00 56.30 54.92 3imx h ASN 240 Cb 0.24 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.44 3imx h ASN 240 CO -0.00 0.07 1.18 -0.69 -1.65 0.00 0.00 177.43 176.34 3imx s VAL 241 N -3.21 4.80 0.42 2.81 1.01 0.21 -4.72 120.40 121.72 3imx s VAL 241 Ca 0.05 -2.05 0.33 0.00 0.00 0.00 0.00 61.98 60.30 3imx s VAL 241 Cb 0.12 -4.88 0.35 0.00 0.00 0.00 0.00 36.38 31.97 3imx s VAL 241 CO 0.73 -1.61 2.13 -0.33 0.00 0.00 0.00 175.10 176.03 3imx h GLU 242 N 8.03 0.00 0.00 2.72 5.08 -1.77 -2.65 114.58 125.99 3imx h GLU 242 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3imx h GLU 242 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3imx h GLU 242 CO 1.20 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 180.56 3imx n LEU 243 N -3.42 0.00 -3.75 1.33 4.32 -1.26 -4.54 117.00 109.67 3imx n LEU 243 Ca -0.02 0.28 -0.25 0.00 -0.02 0.00 0.00 56.01 56.00 3imx n LEU 243 Cb 0.20 -0.28 -0.17 0.00 -1.62 0.00 0.00 43.42 41.55 3imx n LEU 243 CO 0.27 -0.10 -0.37 -0.69 -1.22 0.00 0.00 177.39 175.28 3imx s VAL 244 N -2.56 0.44 0.32 4.08 1.01 -1.00 -5.08 120.40 117.61 3imx s VAL 244 Ca 0.19 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.66 3imx s VAL 244 Cb 0.13 -0.79 -0.13 0.00 0.00 0.00 0.00 36.38 35.59 3imx s VAL 244 CO 0.30 0.00 1.00 1.21 0.00 0.00 0.00 175.10 177.61 3imx n GLU 245 N 5.10 1.36 0.00 2.72 2.13 -1.26 -4.86 120.64 125.83 3imx n GLU 245 Ca -0.08 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.22 3imx n GLU 245 Cb 0.49 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.31 3imx n GLU 245 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3imx n GLY 246 N 1.22 3.41 0.00 8.31 0.00 -1.26 -4.99 105.19 111.88 3imx n GLY 246 Ca 0.09 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3imx n GLY 246 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3imx n ASP 247 N 0.00 1.09 -4.65 1.61 8.00 -1.26 -3.89 116.55 117.45 3imx n ASP 247 Ca 0.00 -1.24 -0.39 0.00 0.71 0.00 0.00 54.79 53.87 3imx n ASP 247 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 3imx n ASP 247 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3imx s GLU 248 N -0.24 4.16 1.30 -1.24 2.56 -1.26 -3.90 118.70 120.08 3imx s GLU 248 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 54.97 55.36 3imx s GLU 248 Cb 0.00 -3.59 0.00 0.00 2.00 0.00 0.00 34.13 32.54 3imx s GLU 248 CO 0.00 -0.21 0.00 0.41 -0.56 0.00 0.00 175.26 174.90 3imx n GLY 249 N 4.02 -1.76 3.36 -1.50 0.00 -1.26 -4.77 105.19 103.29 3imx n GLY 249 Ca -0.05 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 3imx n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3imx s ARG 250 N 0.00 1.37 -0.06 1.61 0.52 -1.26 -1.33 118.95 119.80 3imx s ARG 250 Ca 0.00 -1.62 -0.04 0.00 -0.52 0.00 0.00 55.73 53.55 3imx s ARG 250 Cb 0.00 -1.17 0.02 0.00 0.52 0.00 0.00 34.95 34.31 3imx s ARG 250 CO 0.00 0.19 0.14 1.41 0.02 0.00 0.00 175.30 177.06 3imx s MET 251 N -3.64 0.15 0.40 3.54 -2.45 -0.42 -2.00 119.30 114.87 3imx s MET 251 Ca 0.24 0.23 -0.26 0.00 -1.25 0.00 0.00 55.69 54.65 3imx s MET 251 Cb -0.01 0.03 -0.09 0.00 1.25 0.00 0.00 34.83 36.01 3imx s MET 251 CO 0.08 -0.05 1.22 0.00 1.05 0.00 0.00 175.02 177.32 3imx s VAL 253 N -1.34 1.40 -0.59 0.00 1.01 -0.07 -2.22 120.40 118.60 3imx s VAL 253 Ca 0.56 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 3imx s VAL 253 Cb -0.34 -1.28 0.08 0.00 0.00 0.00 0.00 36.38 34.84 3imx s VAL 253 CO 0.43 0.42 0.80 0.21 0.00 0.00 0.00 175.10 176.96 3imx s ASN 254 N 0.80 6.21 0.34 3.32 2.47 -0.10 -2.14 114.94 125.85 3imx s ASN 254 Ca -0.11 -1.04 0.01 0.00 0.42 0.00 0.00 52.86 52.14 3imx s ASN 254 Cb -0.16 -2.35 0.59 0.00 -1.45 0.00 0.00 41.25 37.88 3imx s ASN 254 CO 0.02 -1.19 1.99 0.71 -3.72 0.00 0.00 177.10 174.90 3imx h THR 255 N 5.94 1.17 -6.17 -5.21 1.35 -1.59 0.07 112.91 108.47 3imx h THR 255 Ca -0.28 -0.35 -0.44 0.00 -0.55 0.00 0.00 66.41 64.78 3imx h THR 255 Cb 1.08 0.24 0.02 0.00 -1.73 0.00 0.00 68.15 67.76 3imx h THR 255 CO 1.10 0.18 -0.78 -0.62 -0.25 0.00 0.00 175.52 175.14 3imx n GLU 256 N -4.42 -5.52 0.00 4.72 -0.58 -1.26 -2.69 120.64 110.89 3imx n GLU 256 Ca 0.06 0.63 0.04 0.00 -0.42 0.00 0.00 57.16 57.48 3imx n GLU 256 Cb 0.06 -5.41 0.22 0.00 -0.57 0.00 0.00 31.44 25.74 3imx n GLU 256 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3imx n TRP 257 N -4.54 0.00 0.28 -0.32 2.14 -1.26 -2.50 117.44 111.24 3imx n TRP 257 Ca -0.10 0.00 0.16 0.00 2.07 0.00 0.00 57.50 59.63 3imx n TRP 257 Cb 0.59 -0.18 0.81 0.00 -0.81 0.00 0.00 31.31 31.72 3imx n TRP 257 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3imx h GLY 258 N 1.34 0.00 -0.39 -1.67 0.00 -1.88 -1.37 103.07 99.10 3imx h GLY 258 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3imx h GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3imx n ALA 259 N -2.19 2.56 -1.74 3.60 0.00 -1.04 -2.27 120.51 119.43 3imx n ALA 259 Ca -0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 3imx n ALA 259 Cb 0.23 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 3imx n ALA 259 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3imx n PHE 260 N 0.05 2.73 0.00 0.00 7.35 -0.52 -1.32 117.46 125.76 3imx n PHE 260 Ca 0.18 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 57.27 3imx n PHE 260 Cb 0.30 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.60 3imx n PHE 260 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3imx n GLY 261 N 1.23 3.00 0.00 7.13 0.00 -1.26 -1.95 105.19 113.34 3imx n GLY 261 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 3imx n GLY 261 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3imx n ASP 262 N 0.00 0.00 -0.57 1.61 9.92 -0.43 -0.61 116.55 126.46 3imx n ASP 262 Ca 0.00 0.22 0.05 0.00 -0.53 0.00 0.00 54.79 54.53 3imx n ASP 262 Cb 0.00 -0.30 0.14 0.00 -0.64 0.00 0.00 41.12 40.31 3imx n ASP 262 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3imx n SER 263 N -1.30 2.85 0.00 -2.24 7.64 -1.26 -4.96 113.62 114.35 3imx n SER 263 Ca 0.03 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.87 3imx n SER 263 Cb 0.05 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3imx n SER 263 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3imx n GLY 264 N 0.36 0.61 0.32 0.23 0.00 0.22 -4.97 105.19 101.96 3imx n GLY 264 Ca 0.11 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.33 3imx n GLY 264 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3imx h GLU 265 N 4.55 0.00 -0.11 1.61 3.07 -1.93 -2.05 114.58 119.72 3imx h GLU 265 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3imx h GLU 265 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3imx h GLU 265 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 3imx n LEU 266 N -2.94 2.15 -0.35 1.33 4.77 -1.26 -4.76 117.00 115.93 3imx n LEU 266 Ca -0.03 -1.34 0.27 0.00 -0.03 0.00 0.00 56.01 54.88 3imx n LEU 266 Cb 0.13 -0.07 0.52 0.00 -2.33 0.00 0.00 43.42 41.67 3imx n LEU 266 CO 0.17 0.47 1.14 0.44 -1.33 0.00 0.00 177.39 178.29 3imx h ASP 267 N 1.86 0.45 0.72 -1.43 3.32 -1.68 0.20 116.42 119.87 3imx h ASP 267 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3imx h ASP 267 Cb 0.51 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3imx h ASP 267 CO 0.00 -0.14 0.00 -1.84 -1.72 0.00 0.00 179.24 175.54 3imx n GLU 268 N -4.96 0.03 -0.03 3.56 0.28 -1.26 -3.42 120.64 114.84 3imx n GLU 268 Ca 0.32 0.12 0.04 0.00 -0.16 0.00 0.00 57.16 57.49 3imx n GLU 268 Cb 1.07 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 32.30 3imx n GLU 268 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3imx n PHE 269 N -1.48 0.00 -1.75 -1.84 3.72 0.68 -4.99 117.46 111.81 3imx n PHE 269 Ca 0.06 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 3imx n PHE 269 Cb 0.25 -0.53 -0.02 0.00 -0.94 0.00 0.00 39.48 38.23 3imx n PHE 269 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3imx s LEU 270 N -4.54 4.36 0.38 4.37 1.43 -1.07 -5.02 118.68 118.58 3imx s LEU 270 Ca -0.07 2.92 0.08 0.00 -1.03 0.00 0.00 54.13 56.02 3imx s LEU 270 Cb 0.10 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 3imx s LEU 270 CO 0.74 -0.95 0.39 -0.76 0.23 0.00 0.00 176.35 176.00 3imx s LEU 271 N 0.32 3.57 0.29 1.79 1.43 -1.26 -4.99 118.68 119.83 3imx s LEU 271 Ca 0.69 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 3imx s LEU 271 Cb -0.49 -2.28 0.52 0.00 0.03 0.00 0.00 46.19 43.97 3imx s LEU 271 CO 0.40 -0.54 1.87 1.05 0.23 0.00 0.00 176.35 179.36 3imx h GLU 272 N 1.03 1.01 -0.66 1.70 4.11 -2.00 -0.24 114.58 119.54 3imx h GLU 272 Ca -0.43 -0.06 0.04 0.00 0.07 0.00 0.00 59.36 58.98 3imx h GLU 272 Cb 1.26 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 3imx h GLU 272 CO 0.55 0.67 0.44 1.88 0.07 0.00 0.00 179.01 182.62 3imx h TYR 273 N 1.04 0.74 -0.40 2.06 0.05 -1.97 -0.85 116.97 117.64 3imx h TYR 273 Ca 0.46 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 59.11 3imx h TYR 273 Cb 0.35 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3imx h TYR 273 CO -0.00 0.42 -0.33 -0.44 -1.05 0.00 0.00 178.16 176.77 3imx h ASP 274 N 0.76 0.99 -0.39 3.88 3.32 -1.44 -1.82 116.42 121.72 3imx h ASP 274 Ca 0.27 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 3imx h ASP 274 Cb 0.12 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3imx h ASP 274 CO -0.08 1.23 0.06 0.03 -1.72 0.00 0.00 179.24 178.75 3imx h ARG 275 N 0.76 0.66 -0.59 3.56 3.08 -0.86 -1.82 114.38 119.17 3imx h ARG 275 Ca 0.07 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 59.97 3imx h ARG 275 Cb 0.92 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 3imx h ARG 275 CO 0.09 0.71 0.36 -0.07 -1.07 0.00 0.00 179.97 179.99 3imx h LEU 276 N 0.50 0.58 -0.73 3.04 3.38 -1.10 0.28 115.31 121.26 3imx h LEU 276 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3imx h LEU 276 Cb 0.38 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3imx h LEU 276 CO 0.01 0.41 0.34 0.58 0.09 0.00 0.00 178.44 179.86 3imx h VAL 277 N 0.71 1.24 0.09 1.22 2.07 -1.20 -2.19 116.25 118.19 3imx h VAL 277 Ca 0.23 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3imx h VAL 277 Cb 0.02 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3imx h VAL 277 CO -0.10 0.29 -0.04 -0.78 0.02 0.00 0.00 177.57 176.96 3imx h ASP 278 N 1.02 -0.10 -0.81 0.57 3.58 -0.87 -2.18 116.42 117.63 3imx h ASP 278 Ca 0.25 -0.32 0.17 0.00 0.42 0.00 0.00 57.03 57.54 3imx h ASP 278 Cb 0.14 0.03 -0.10 0.00 1.72 0.00 0.00 39.33 41.11 3imx h ASP 278 CO -0.03 0.28 0.34 -0.33 -2.88 0.00 0.00 179.24 176.62 3imx h GLU 279 N -0.50 0.43 -0.16 0.28 3.07 -0.39 -1.26 114.58 116.05 3imx h GLU 279 Ca -0.01 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3imx h GLU 279 Cb 0.42 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3imx h GLU 279 CO 0.02 0.29 0.00 0.43 -1.40 0.00 0.00 179.01 178.35 3imx n SER 280 N -5.01 1.98 -4.57 1.42 7.64 -0.83 -4.85 113.62 109.40 3imx n SER 280 Ca 0.17 -1.73 -0.29 0.00 1.01 0.00 0.00 58.87 58.03 3imx n SER 280 Cb 0.49 -0.10 0.14 0.00 -1.01 0.00 0.00 64.21 63.73 3imx n SER 280 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3imx s SER 281 N -1.67 3.73 0.00 6.43 1.04 -0.48 -4.95 113.70 117.81 3imx s SER 281 Ca 0.34 0.62 0.31 0.00 0.48 0.00 0.00 55.95 57.70 3imx s SER 281 Cb 0.19 -0.96 1.68 0.00 0.10 0.00 0.00 66.02 67.03 3imx s SER 281 CO 0.29 -2.38 2.13 0.00 0.98 0.00 0.00 173.24 174.26 3imx n ALA 282 N -3.60 2.58 -3.09 5.32 0.00 -1.26 -4.15 120.51 116.31 3imx n ALA 282 Ca 0.10 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 3imx n ALA 282 Cb 0.60 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 3imx n ALA 282 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3imx n ASN 283 N -1.15 -0.14 -4.64 0.00 6.94 -1.26 -4.98 115.26 110.03 3imx n ASN 283 Ca 0.18 -3.04 -0.47 0.00 -0.02 0.00 0.00 54.58 51.24 3imx n ASN 283 Cb 0.19 -0.06 -0.04 0.00 -2.36 0.00 0.00 39.78 37.51 3imx n ASN 283 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 3imx n PRO 284 N 0.75 1.74 -0.59 -0.53 -0.02 -1.26 -1.63 135.00 133.46 3imx n PRO 284 Ca 0.20 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3imx n PRO 284 Cb 0.62 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3imx n PRO 284 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3imx n GLY 285 N 2.42 1.49 3.60 -1.23 0.00 -1.26 -5.03 105.19 105.18 3imx n GLY 285 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3imx n GLY 285 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3imx s GLN 286 N -0.13 2.15 -1.44 1.61 -0.21 -0.65 -4.75 119.66 116.25 3imx s GLN 286 Ca 0.00 -1.27 -0.07 0.00 0.02 0.00 0.00 55.36 54.03 3imx s GLN 286 Cb 0.00 -2.19 0.05 0.00 1.00 0.00 0.00 33.01 31.87 3imx s GLN 286 CO 0.00 0.42 0.81 1.04 -2.12 0.00 0.00 175.29 175.44 3imx n GLN 287 N -0.16 -4.95 -0.01 2.91 1.13 -1.26 -4.91 117.38 110.14 3imx n GLN 287 Ca -0.10 0.57 -0.03 0.00 -1.94 0.00 0.00 57.00 55.50 3imx n GLN 287 Cb 0.56 -5.25 0.20 0.00 0.11 0.00 0.00 30.24 25.86 3imx n GLN 287 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3imx h LEU 288 N -1.95 0.53 -0.31 1.08 3.38 -1.68 -1.91 115.31 114.45 3imx h LEU 288 Ca -0.60 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.09 3imx h LEU 288 Cb 1.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3imx h LEU 288 CO 0.63 0.74 -0.24 0.22 0.09 0.00 0.00 178.44 179.87 3imx h TYR 289 N 0.48 0.84 -0.10 1.13 3.20 -1.05 -2.77 116.97 118.70 3imx h TYR 289 Ca 0.08 -0.24 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 3imx h TYR 289 Cb 0.61 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3imx h TYR 289 CO 0.02 0.97 -0.06 1.49 -1.64 0.00 0.00 178.16 178.94 3imx h GLU 290 N 0.47 0.15 0.00 1.82 4.81 -1.32 -1.75 114.58 118.76 3imx h GLU 290 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3imx h GLU 290 Cb 0.80 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3imx h GLU 290 CO 0.06 0.23 0.00 1.63 -0.73 0.00 0.00 179.01 180.20 3imx n LYS 291 N -4.38 0.04 0.03 1.92 5.02 -0.73 -0.23 118.16 119.83 3imx n LYS 291 Ca -0.01 0.21 0.12 0.00 -2.02 0.00 0.00 58.31 56.61 3imx n LYS 291 Cb 0.19 -1.57 0.11 0.00 -0.02 0.00 0.00 35.03 33.74 3imx n LYS 291 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3imx n LEU 292 N -1.64 0.63 0.00 -0.35 4.77 -0.66 -4.68 117.00 115.06 3imx n LEU 292 Ca 0.04 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3imx n LEU 292 Cb 0.23 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3imx n LEU 292 CO 0.18 0.05 -0.38 -0.38 -1.33 0.00 0.00 177.39 175.53 3imx n ILE 293 N -1.86 0.00 -1.55 -0.08 5.41 -0.78 -4.25 119.36 116.26 3imx n ILE 293 Ca 0.03 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.37 3imx n ILE 293 Cb 0.41 -1.13 0.01 0.00 -0.71 0.00 0.00 39.64 38.21 3imx n ILE 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3imx n GLY 294 N 2.71 -0.73 0.13 7.39 0.00 0.67 -4.68 105.19 110.70 3imx n GLY 294 Ca 0.00 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3imx n GLY 294 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3imx n GLY 295 N 1.43 -1.08 0.19 -0.02 0.00 0.16 -1.05 105.19 104.83 3imx n GLY 295 Ca 0.11 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.29 3imx n GLY 295 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3imx h LYS 296 N 0.00 0.00 0.00 1.61 1.63 -1.44 -3.34 116.57 115.03 3imx h LYS 296 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3imx h LYS 296 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3imx h LYS 296 CO 0.00 0.38 -0.91 0.66 -3.45 0.00 0.00 179.45 176.13 3imx n TYR 297 N -3.78 0.00 0.01 1.91 4.01 -0.21 -4.74 117.16 114.36 3imx n TYR 297 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.63 3imx n TYR 297 Cb 0.45 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 3imx n TYR 297 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 3imx h MET 298 N 0.00 -0.23 -1.00 -0.72 4.05 -1.23 -1.47 114.93 114.33 3imx h MET 298 Ca 0.00 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 3imx h MET 298 Cb 0.19 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.98 3imx h MET 298 CO 0.00 -0.15 0.66 0.78 0.23 0.00 0.00 176.91 178.42 3imx h GLY 299 N -0.24 1.47 1.29 1.39 0.00 -1.79 -2.16 103.07 103.04 3imx h GLY 299 Ca 0.09 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3imx h GLY 299 CO -0.24 0.42 0.01 -2.09 0.00 0.00 0.00 176.54 174.65 3imx h GLU 300 N 1.26 0.86 -0.45 4.80 4.57 -1.45 -1.17 114.58 123.01 3imx h GLU 300 Ca 0.40 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3imx h GLU 300 Cb 0.02 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3imx h GLU 300 CO -0.13 0.85 0.21 -0.07 -1.18 0.00 0.00 179.01 178.70 3imx h LEU 301 N 0.80 0.60 -1.11 1.64 3.38 -0.85 -1.56 115.31 118.21 3imx h LEU 301 Ca 0.16 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3imx h LEU 301 Cb 0.46 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3imx h LEU 301 CO 0.02 0.56 -0.04 0.58 0.09 0.00 0.00 178.44 179.66 3imx h VAL 302 N 0.59 1.22 -0.50 1.22 2.07 -1.10 -1.94 116.25 117.80 3imx h VAL 302 Ca 0.16 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3imx h VAL 302 Cb 0.13 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3imx h VAL 302 CO -0.02 0.31 0.17 -0.09 0.02 0.00 0.00 177.57 177.96 3imx h ARG 303 N 0.55 0.77 -0.16 1.57 2.43 -0.77 -0.11 114.38 118.67 3imx h ARG 303 Ca 0.11 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 3imx h ARG 303 Cb 0.41 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3imx h ARG 303 CO 0.02 0.71 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.85 3imx h LEU 304 N 0.68 0.29 -0.30 3.80 4.07 -1.04 -1.00 115.31 121.81 3imx h LEU 304 Ca 0.16 -0.09 -0.12 0.00 0.08 0.00 0.00 57.88 57.91 3imx h LEU 304 Cb 0.25 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 3imx h LEU 304 CO -0.01 0.57 -0.28 0.58 -1.08 0.00 0.00 178.44 178.23 3imx h VAL 305 N 0.26 1.30 -0.57 1.22 2.07 -0.95 -1.69 116.25 117.89 3imx h VAL 305 Ca 0.04 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.05 3imx h VAL 305 Cb 0.63 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3imx h VAL 305 CO 0.05 0.46 0.06 -0.07 0.02 0.00 0.00 177.57 178.09 3imx h LEU 306 N 0.46 0.89 -0.95 2.57 3.38 -0.73 -1.16 115.31 119.78 3imx h LEU 306 Ca 0.05 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3imx h LEU 306 Cb 0.84 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3imx h LEU 306 CO 0.07 0.92 -0.02 -0.07 0.09 0.00 0.00 178.44 179.42 3imx h LEU 307 N 0.88 0.71 -0.30 1.67 4.07 -1.09 -0.34 115.31 120.90 3imx h LEU 307 Ca 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3imx h LEU 307 Cb 0.43 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 3imx h LEU 307 CO 0.01 0.79 0.10 -0.09 -1.08 0.00 0.00 178.44 178.18 3imx h ARG 308 N 0.69 0.46 -0.61 1.13 9.65 -0.88 0.57 114.38 125.39 3imx h ARG 308 Ca 0.13 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3imx h ARG 308 Cb 0.46 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 3imx h ARG 308 CO 0.02 0.50 0.38 -0.07 2.80 0.00 0.00 179.97 183.60 3imx h LEU 309 N 0.33 0.71 -0.72 3.80 4.07 -0.81 -2.20 115.31 120.49 3imx h LEU 309 Ca 0.10 -0.04 -0.13 0.00 0.08 0.00 0.00 57.88 57.88 3imx h LEU 309 Cb 0.22 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 3imx h LEU 309 CO -0.00 0.54 -0.50 -0.37 -1.08 0.00 0.00 178.44 177.03 3imx h VAL 310 N 0.82 1.33 0.00 1.22 -1.51 -0.73 -0.97 116.25 116.42 3imx h VAL 310 Ca 0.22 -1.73 -0.02 0.00 -1.23 0.00 0.00 66.70 63.94 3imx h VAL 310 Cb -0.06 1.77 -0.00 0.00 -2.13 0.00 0.00 31.29 30.87 3imx h VAL 310 CO -0.04 0.52 -0.10 0.44 -1.23 0.00 0.00 177.57 177.16 3imx h ASP 311 N 0.29 0.00 -0.26 4.19 3.32 -0.57 0.69 116.42 124.07 3imx h ASP 311 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3imx h ASP 311 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3imx h ASP 311 CO 0.08 0.10 0.00 -0.62 -1.72 0.00 0.00 179.24 177.08 3imx n GLU 312 N -3.79 1.90 -3.28 3.56 -0.58 -0.86 -4.93 120.64 112.67 3imx n GLU 312 Ca -0.02 -1.37 -0.23 0.00 -0.42 0.00 0.00 57.16 55.12 3imx n GLU 312 Cb 0.20 -1.39 0.06 0.00 -0.57 0.00 0.00 31.44 29.73 3imx n GLU 312 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3imx n ASN 313 N 0.59 -6.28 -0.34 1.62 5.15 0.23 -4.88 115.26 111.36 3imx n ASN 313 Ca 0.16 -0.40 0.05 0.00 -0.60 0.00 0.00 54.58 53.79 3imx n ASN 313 Cb 0.37 -5.01 0.03 0.00 -0.53 0.00 0.00 39.78 34.65 3imx n ASN 313 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3imx n LEU 314 N -4.48 1.65 -3.75 1.20 4.77 -0.40 -4.63 117.00 111.36 3imx n LEU 314 Ca -0.06 -0.95 -0.13 0.00 -0.03 0.00 0.00 56.01 54.84 3imx n LEU 314 Cb 0.59 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 3imx n LEU 314 CO 0.55 0.32 0.02 -0.22 -1.33 0.00 0.00 177.39 176.74 3imx s LEU 315 N -0.94 0.66 -1.25 2.23 0.20 -1.22 -4.87 118.68 113.49 3imx s LEU 315 Ca 0.10 0.68 -0.05 0.00 0.69 0.00 0.00 54.13 55.55 3imx s LEU 315 Cb 0.08 1.21 0.03 0.00 -0.43 0.00 0.00 46.19 47.08 3imx s LEU 315 CO 0.14 -0.14 0.32 0.49 -0.29 0.00 0.00 176.35 176.88 3imx n PHE 316 N 2.82 -1.67 -4.04 5.38 3.72 -1.26 -1.09 117.46 121.31 3imx n PHE 316 Ca -0.13 0.30 -0.33 0.00 -0.05 0.00 0.00 57.45 57.23 3imx n PHE 316 Cb 0.57 -3.14 -0.02 0.00 -0.94 0.00 0.00 39.48 35.95 3imx n PHE 316 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3imx n HIS 317 N -3.83 -1.77 -0.96 1.38 -0.00 -1.26 -1.39 115.22 107.39 3imx n HIS 317 Ca -0.08 0.73 0.00 0.00 0.46 0.00 0.00 57.72 58.83 3imx n HIS 317 Cb 0.58 -2.91 0.00 0.00 -0.12 0.00 0.00 29.99 27.54 3imx n HIS 317 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3imx n GLY 318 N -1.34 0.43 3.07 1.57 0.00 -0.25 -5.00 105.19 103.68 3imx n GLY 318 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3imx n GLY 318 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3imx s GLU 319 N -0.56 2.53 0.52 1.61 2.56 -0.49 -4.75 118.70 120.13 3imx s GLU 319 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 54.97 54.09 3imx s GLU 319 Cb 0.00 -2.53 0.02 0.00 2.00 0.00 0.00 34.13 33.62 3imx s GLU 319 CO 0.00 -0.33 0.74 0.00 -0.56 0.00 0.00 175.26 175.10 3imx s ALA 320 N 1.30 3.90 0.45 6.30 0.00 -1.26 -4.81 121.76 127.64 3imx s ALA 320 Ca 0.01 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.76 3imx s ALA 320 Cb -0.15 -2.06 0.02 0.00 0.00 0.00 0.00 23.12 20.92 3imx s ALA 320 CO -0.10 -0.63 0.61 -1.54 0.00 0.00 0.00 175.76 174.10 3imx s SER 321 N -4.37 5.58 0.07 0.00 1.04 -1.26 -4.99 113.70 109.76 3imx s SER 321 Ca 0.55 -0.36 -0.24 0.00 0.48 0.00 0.00 55.95 56.38 3imx s SER 321 Cb -0.10 -0.68 -0.16 0.00 0.10 0.00 0.00 66.02 65.18 3imx s SER 321 CO 0.38 -0.84 1.64 -0.08 0.98 0.00 0.00 173.24 175.32 3imx h GLU 322 N 0.53 -0.03 -0.33 4.02 4.57 -1.89 -2.07 114.58 119.38 3imx h GLU 322 Ca -0.40 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 57.84 3imx h GLU 322 Cb 1.28 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.83 3imx h GLU 322 CO 0.46 0.07 0.02 1.96 -1.18 0.00 0.00 179.01 180.34 3imx h GLN 323 N -0.13 0.11 -0.13 1.92 4.20 -1.95 -1.81 115.11 117.33 3imx h GLN 323 Ca -0.00 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3imx h GLN 323 Cb 0.12 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3imx h GLN 323 CO 0.01 0.07 0.09 1.25 -0.67 0.00 0.00 178.83 179.58 3imx h LEU 324 N 0.11 0.07 -1.42 1.46 5.85 -1.68 -1.79 115.31 117.92 3imx h LEU 324 Ca 0.16 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3imx h LEU 324 Cb 0.21 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3imx h LEU 324 CO -0.26 0.05 0.00 0.54 -0.34 0.00 0.00 178.44 178.43 3imx n ARG 325 N -4.51 1.98 -4.68 1.25 1.74 -0.69 -4.83 116.66 106.92 3imx n ARG 325 Ca -0.01 -1.23 -0.33 0.00 -0.77 0.00 0.00 57.85 55.51 3imx n ARG 325 Cb 0.15 -1.39 -0.13 0.00 -1.02 0.00 0.00 32.46 30.07 3imx n ARG 325 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3imx s THR 326 N -1.61 3.33 0.34 0.55 -4.23 -0.67 -5.06 115.64 108.29 3imx s THR 326 Ca 0.23 -0.57 -0.28 0.00 -1.18 0.00 0.00 61.69 59.89 3imx s THR 326 Cb 0.13 -2.41 -0.12 0.00 1.34 0.00 0.00 72.50 71.44 3imx s THR 326 CO 0.13 0.53 1.27 0.54 -0.54 0.00 0.00 174.62 176.55 3imx n ARG 327 N 3.29 2.06 -0.20 3.99 1.74 -1.26 -2.25 116.66 124.04 3imx n ARG 327 Ca -0.18 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 3imx n ARG 327 Cb 0.53 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 3imx n ARG 327 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3imx n GLY 328 N 0.80 2.32 0.24 -0.13 0.00 -1.26 -4.90 105.19 102.26 3imx n GLY 328 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 3imx n GLY 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imx h ALA 329 N 0.00 1.27 -2.66 4.61 0.00 -1.72 -3.36 119.26 117.40 3imx h ALA 329 Ca 0.00 -0.18 -0.78 0.00 0.00 0.00 0.00 54.91 53.96 3imx h ALA 329 Cb 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 17.50 3imx h ALA 329 CO 0.00 0.24 -0.01 0.12 0.00 0.00 0.00 179.25 179.60 3imx s PHE 330 N -4.11 3.62 0.61 0.00 2.19 -1.26 -5.01 117.98 114.02 3imx s PHE 330 Ca -0.02 -1.86 -0.17 0.00 0.33 0.00 0.00 56.93 55.21 3imx s PHE 330 Cb 0.13 -3.78 -0.03 0.00 -1.31 0.00 0.00 43.02 38.03 3imx s PHE 330 CO 0.63 -0.99 1.13 -1.21 1.83 0.00 0.00 175.22 176.61 3imx s GLU 331 N 0.52 3.03 0.48 10.12 2.02 -1.26 -3.35 118.70 130.26 3imx s GLU 331 Ca 0.14 1.54 0.20 0.00 0.02 0.00 0.00 54.97 56.87 3imx s GLU 331 Cb -0.16 -1.97 1.22 0.00 0.10 0.00 0.00 34.13 33.33 3imx s GLU 331 CO -0.06 -1.10 2.04 1.15 0.02 0.00 0.00 175.26 177.32 3imx h THR 332 N 0.60 0.90 -0.51 3.63 2.02 -1.90 -0.40 112.91 117.24 3imx h THR 332 Ca -0.49 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.19 3imx h THR 332 Cb 1.26 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 3imx h THR 332 CO 0.55 0.14 0.34 -0.09 0.37 0.00 0.00 175.52 176.83 3imx h ARG 333 N 0.00 0.57 -0.27 6.66 2.43 -1.92 -0.87 114.38 120.99 3imx h ARG 333 Ca -0.00 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 3imx h ARG 333 Cb 0.29 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3imx h ARG 333 CO 0.02 0.38 -0.43 0.74 -1.51 0.00 0.00 179.97 179.17 3imx h PHE 334 N 0.59 0.79 -0.12 2.20 0.04 -1.43 -2.32 116.94 116.69 3imx h PHE 334 Ca 0.20 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3imx h PHE 334 Cb 0.09 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 3imx h PHE 334 CO -0.00 0.97 0.08 0.28 -0.60 0.00 0.00 178.31 179.04 3imx h VAL 335 N 0.53 1.04 -0.84 -0.55 2.07 -1.03 -0.30 116.25 117.17 3imx h VAL 335 Ca 0.04 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3imx h VAL 335 Cb 0.96 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3imx h VAL 335 CO 0.09 0.03 0.54 0.28 0.02 0.00 0.00 177.57 178.53 3imx h SER 336 N 0.16 0.89 -0.54 0.57 0.02 -1.35 -1.76 113.55 111.54 3imx h SER 336 Ca 0.04 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3imx h SER 336 Cb -0.01 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3imx h SER 336 CO -0.01 0.61 -0.05 -0.61 -1.14 0.00 0.00 176.83 175.63 3imx h GLN 337 N 1.04 0.99 -0.48 3.45 4.15 -1.02 -2.58 115.11 120.66 3imx h GLN 337 Ca 0.34 -0.34 0.03 0.00 0.77 0.00 0.00 58.65 59.45 3imx h GLN 337 Cb 0.03 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 3imx h GLN 337 CO -0.12 1.02 0.27 0.28 -1.93 0.00 0.00 178.83 178.34 3imx h VAL 338 N 0.86 1.01 0.00 2.39 2.07 -0.59 -2.03 116.25 119.96 3imx h VAL 338 Ca 0.15 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3imx h VAL 338 Cb 0.61 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3imx h VAL 338 CO 0.04 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 177.11 3imx n GLU 339 N -4.85 0.48 0.00 1.57 1.02 -0.70 -2.40 120.64 115.75 3imx n GLU 339 Ca 0.03 0.05 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 3imx n GLU 339 Cb 0.09 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.22 3imx n GLU 339 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3imx n SER 340 N -1.17 1.31 -4.60 1.62 3.41 -0.77 -4.88 113.62 108.55 3imx n SER 340 Ca 0.13 -1.05 -0.47 0.00 -0.26 0.00 0.00 58.87 57.22 3imx n SER 340 Cb 0.13 0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 3imx n SER 340 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3imx n ASP 341 N -0.58 1.67 0.18 4.04 -0.08 -1.01 -4.88 116.55 115.89 3imx n ASP 341 Ca 0.10 1.15 0.07 0.00 -1.51 0.00 0.00 54.79 54.60 3imx n ASP 341 Cb 0.39 -1.28 0.16 0.00 2.34 0.00 0.00 41.12 42.72 3imx n ASP 341 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3imx h THR 342 N 2.63 0.56 0.00 5.18 1.35 -1.93 -3.47 112.91 117.23 3imx h THR 342 Ca -0.43 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 3imx h THR 342 Cb 1.33 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 3imx h THR 342 CO 0.70 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 3imx n GLY 343 N 0.97 0.32 1.00 5.82 0.00 -1.26 -4.99 105.19 107.05 3imx n GLY 343 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3imx n GLY 343 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3imx n ASP 344 N 0.00 3.05 0.00 1.61 5.68 -1.26 -4.97 116.55 120.67 3imx n ASP 344 Ca 0.00 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 3imx n ASP 344 Cb 0.00 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 3imx n ASP 344 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3imx n ARG 345 N 1.30 -0.34 -0.20 0.11 3.00 -1.26 -4.89 116.66 114.37 3imx n ARG 345 Ca 0.17 0.09 -0.08 0.00 -0.01 0.00 0.00 57.85 58.01 3imx n ARG 345 Cb 0.58 -3.77 0.02 0.00 0.00 0.00 0.00 32.46 29.30 3imx n ARG 345 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3imx h LYS 346 N 1.06 0.89 -0.67 5.56 1.57 -1.99 0.32 116.57 123.31 3imx h LYS 346 Ca 0.00 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3imx h LYS 346 Cb 0.17 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3imx h LYS 346 CO 0.00 0.79 0.20 1.96 -0.57 0.00 0.00 179.45 181.84 3imx h GLN 347 N 0.81 1.05 -0.07 3.15 1.08 -1.90 -1.74 115.11 117.50 3imx h GLN 347 Ca 0.19 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 3imx h GLN 347 Cb 0.27 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3imx h GLN 347 CO -0.01 0.91 -0.02 0.82 -0.95 0.00 0.00 178.83 179.59 3imx h ILE 348 N 0.98 1.30 -0.87 2.54 2.04 -1.74 -3.09 117.51 118.68 3imx h ILE 348 Ca 0.22 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.20 3imx h ILE 348 Cb 0.31 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 3imx h ILE 348 CO -0.01 0.26 0.54 0.22 0.00 0.00 0.00 178.15 179.16 3imx h TYR 349 N -0.21 0.99 -0.43 1.37 3.20 -0.28 -0.74 116.97 120.88 3imx h TYR 349 Ca 0.02 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3imx h TYR 349 Cb 0.42 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3imx h TYR 349 CO 0.06 0.48 0.29 -0.97 -1.64 0.00 0.00 178.16 176.38 3imx h ASN 350 N 0.96 0.20 0.00 -2.11 -0.73 -1.28 0.94 115.58 113.56 3imx h ASN 350 Ca 0.39 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.56 3imx h ASN 350 Cb 0.21 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.76 3imx h ASN 350 CO -0.19 0.13 -0.00 0.40 -0.37 0.00 0.00 177.43 177.40 3imx h ILE 351 N 0.23 1.66 -0.45 2.57 1.08 -1.09 -3.24 117.51 118.27 3imx h ILE 351 Ca 0.19 -2.21 -0.05 0.00 -0.39 0.00 0.00 64.86 62.40 3imx h ILE 351 Cb 0.47 3.11 -0.02 0.00 -3.07 0.00 0.00 36.82 37.31 3imx h ILE 351 CO -0.04 0.55 0.07 -0.07 -0.69 0.00 0.00 178.15 177.98 3imx h LEU 352 N -0.98 0.72 -0.59 1.44 3.38 -1.00 -2.91 115.31 115.37 3imx h LEU 352 Ca -0.00 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3imx h LEU 352 Cb 0.91 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3imx h LEU 352 CO 0.00 0.79 0.36 0.77 0.09 0.00 0.00 178.44 180.46 3imx h SER 353 N 0.61 0.60 0.28 -0.43 4.64 -0.96 -0.34 113.55 117.95 3imx h SER 353 Ca 0.14 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3imx h SER 353 Cb 0.38 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3imx h SER 353 CO 0.01 0.42 0.00 0.35 -0.87 0.00 0.00 176.83 176.74 3imx n THR 354 N -4.73 1.39 -0.54 2.95 -2.24 -1.11 -1.41 114.28 108.59 3imx n THR 354 Ca 0.05 0.39 0.10 0.00 -2.27 0.00 0.00 64.05 62.31 3imx n THR 354 Cb 0.07 -1.28 0.35 0.00 -2.10 0.00 0.00 70.33 67.37 3imx n THR 354 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3imx n LEU 355 N -1.63 4.62 -0.16 3.22 4.77 -0.16 -4.93 117.00 122.74 3imx n LEU 355 Ca 0.02 -2.33 -0.01 0.00 -0.03 0.00 0.00 56.01 53.65 3imx n LEU 355 Cb 0.10 -0.57 -0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3imx n LEU 355 CO 0.08 0.82 -0.02 0.61 -1.33 0.00 0.00 177.39 177.56 3imx n GLY 356 N 1.21 0.33 3.52 -0.72 0.00 -0.50 -4.20 105.19 104.83 3imx n GLY 356 Ca 0.25 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 3imx n GLY 356 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3imx s LEU 357 N -0.40 2.83 -0.70 0.99 1.43 -1.05 -4.67 118.68 117.11 3imx s LEU 357 Ca 0.00 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3imx s LEU 357 Cb 0.00 -1.66 0.29 0.00 0.03 0.00 0.00 46.19 44.85 3imx s LEU 357 CO 0.00 0.21 0.97 0.54 0.23 0.00 0.00 176.35 178.30 3imx n ARG 358 N 1.08 3.16 -2.14 1.70 5.12 -1.26 -4.07 116.66 120.25 3imx n ARG 358 Ca -0.15 -4.72 -0.37 0.00 -1.93 0.00 0.00 57.85 50.68 3imx n ARG 358 Cb 0.52 -2.30 0.00 0.00 -1.16 0.00 0.00 32.46 29.53 3imx n ARG 358 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3imx s PRO 359 N -2.92 3.57 0.62 5.56 0.04 -1.26 -5.07 135.00 135.54 3imx s PRO 359 Ca 0.41 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 63.30 3imx s PRO 359 Cb 0.18 -2.33 0.04 0.00 0.04 0.00 0.00 34.50 32.42 3imx s PRO 359 CO -0.04 -0.73 0.88 -1.54 0.04 0.00 0.00 177.00 175.61 3imx s SER 360 N -1.30 5.11 0.27 6.66 1.04 -1.26 -4.93 113.70 119.29 3imx s SER 360 Ca 0.66 0.24 -0.03 0.00 0.48 0.00 0.00 55.95 57.30 3imx s SER 360 Cb -0.31 -1.04 0.37 0.00 0.10 0.00 0.00 66.02 65.14 3imx s SER 360 CO 0.37 -1.32 1.86 0.74 0.98 0.00 0.00 173.24 175.87 3imx h THR 361 N -0.22 1.23 -0.57 2.02 2.02 -2.00 -1.94 112.91 113.45 3imx h THR 361 Ca -0.43 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.04 3imx h THR 361 Cb 1.30 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3imx h THR 361 CO 0.56 0.28 0.25 0.74 0.37 0.00 0.00 175.52 177.72 3imx h THR 362 N 0.97 1.22 -0.55 3.16 2.02 -1.99 -2.26 112.91 115.47 3imx h THR 362 Ca 0.23 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 66.84 3imx h THR 362 Cb 0.15 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 3imx h THR 362 CO -0.02 0.25 0.24 0.44 0.37 0.00 0.00 175.52 176.79 3imx h ASP 363 N 0.77 0.29 -0.62 4.18 3.32 -1.74 -0.25 116.42 122.37 3imx h ASP 363 Ca 0.19 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.33 3imx h ASP 363 Cb 0.16 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3imx h ASP 363 CO -0.02 0.19 0.36 0.00 -1.72 0.00 0.00 179.24 178.05 3imx h ASP 365 N 0.69 0.63 -0.41 0.00 3.32 -0.71 -0.81 116.42 119.12 3imx h ASP 365 Ca 0.26 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 3imx h ASP 365 Cb 0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3imx h ASP 365 CO -0.14 0.75 -0.33 0.40 -1.72 0.00 0.00 179.24 178.21 3imx h ILE 366 N 0.60 1.27 -0.64 0.35 2.04 -0.56 -1.70 117.51 118.87 3imx h ILE 366 Ca 0.11 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.42 3imx h ILE 366 Cb 0.49 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3imx h ILE 366 CO 0.03 0.51 0.19 0.58 0.00 0.00 0.00 178.15 179.45 3imx h VAL 367 N 0.80 1.24 -0.39 1.67 2.07 -0.59 -1.26 116.25 119.79 3imx h VAL 367 Ca 0.08 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 3imx h VAL 367 Cb 0.92 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3imx h VAL 367 CO 0.09 0.33 -0.13 -0.09 0.02 0.00 0.00 177.57 177.78 3imx h ARG 368 N 0.95 0.78 -0.02 1.57 2.43 -0.96 -1.92 114.38 117.22 3imx h ARG 368 Ca 0.21 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 3imx h ARG 368 Cb 0.29 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3imx h ARG 368 CO -0.01 0.93 -0.24 0.07 -1.51 0.00 0.00 179.97 179.22 3imx h ARG 369 N 0.59 0.04 -0.35 0.20 0.11 -0.97 -1.23 114.38 112.76 3imx h ARG 369 Ca 0.09 -0.01 -0.14 0.00 0.10 0.00 0.00 59.98 60.03 3imx h ARG 369 Cb 0.67 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.74 3imx h ARG 369 CO 0.05 0.28 -0.31 0.00 0.10 0.00 0.00 179.97 180.09 3imx h ALA 370 N 1.73 0.51 -0.57 0.08 0.00 -1.03 -1.41 119.26 118.57 3imx h ALA 370 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3imx h ALA 370 Cb 0.45 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3imx h ALA 370 CO 0.03 0.55 0.30 0.00 0.00 0.00 0.00 179.25 180.14 3imx h GLU 372 N 0.77 0.99 -0.31 0.00 5.08 -1.08 0.16 114.58 120.18 3imx h GLU 372 Ca 0.20 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3imx h GLU 372 Cb 0.07 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3imx h GLU 372 CO -0.03 0.77 0.12 0.77 -1.00 0.00 0.00 179.01 179.64 3imx h SER 373 N 0.98 0.44 -0.16 1.42 0.02 -0.94 0.19 113.55 115.50 3imx h SER 373 Ca 0.24 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 3imx h SER 373 Cb 0.12 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3imx h SER 373 CO -0.03 0.50 -0.25 0.58 -1.14 0.00 0.00 176.83 176.49 3imx h VAL 374 N 0.35 1.35 0.00 2.27 2.07 -1.14 -2.36 116.25 118.79 3imx h VAL 374 Ca 0.10 -1.48 -0.13 0.00 0.82 0.00 0.00 66.70 66.02 3imx h VAL 374 Cb 0.20 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3imx h VAL 374 CO -0.01 0.44 -0.60 0.77 0.02 0.00 0.00 177.57 178.19 3imx h SER 375 N 0.08 0.00 -0.26 0.57 4.64 -0.63 -2.06 113.55 115.89 3imx h SER 375 Ca 0.01 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 3imx h SER 375 Cb 0.83 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 3imx h SER 375 CO 0.06 0.60 -0.39 0.74 -0.87 0.00 0.00 176.83 176.97 3imx h THR 376 N 0.00 1.28 -0.45 2.95 2.02 -0.66 -2.02 112.91 116.03 3imx h THR 376 Ca -0.01 -1.56 -0.07 0.00 0.77 0.00 0.00 66.41 65.54 3imx h THR 376 Cb 1.07 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 3imx h THR 376 CO 0.08 0.51 -0.01 -0.09 0.37 0.00 0.00 175.52 176.38 3imx h ARG 377 N 0.66 0.75 -0.28 6.66 2.43 -1.16 -0.93 114.38 122.51 3imx h ARG 377 Ca 0.06 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3imx h ARG 377 Cb 0.95 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3imx h ARG 377 CO 0.09 0.77 0.14 0.00 -1.51 0.00 0.00 179.97 179.46 3imx h ALA 378 N 1.29 0.36 -0.51 2.80 0.00 -1.16 0.09 119.26 122.13 3imx h ALA 378 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3imx h ALA 378 Cb 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3imx h ALA 378 CO 0.02 -0.08 0.29 0.00 0.00 0.00 0.00 179.25 179.48 3imx h ALA 379 N 1.00 0.65 -0.43 0.00 0.00 -1.09 -0.44 119.26 118.97 3imx h ALA 379 Ca 0.10 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3imx h ALA 379 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3imx h ALA 379 CO -0.01 0.16 -0.19 0.45 0.00 0.00 0.00 179.25 179.65 3imx h HIS 380 N 0.68 1.01 -0.27 0.00 -0.00 -0.92 -0.37 115.15 115.29 3imx h HIS 380 Ca 0.18 -0.25 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 3imx h HIS 380 Cb 0.02 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 3imx h HIS 380 CO -0.02 1.03 0.13 0.52 -0.00 0.00 0.00 177.93 179.58 3imx h MET 381 N 0.71 0.39 -0.87 2.45 2.86 -0.88 -2.57 114.93 117.02 3imx h MET 381 Ca 0.10 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3imx h MET 381 Cb 0.75 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.30 3imx h MET 381 CO 0.06 0.38 0.57 0.00 1.06 0.00 0.00 176.91 178.98 3imx h SER 383 N 1.13 0.20 0.05 0.00 4.64 -0.71 -2.25 113.55 116.61 3imx h SER 383 Ca 0.33 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 3imx h SER 383 Cb -0.07 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3imx h SER 383 CO -0.08 0.47 -0.40 0.00 -0.87 0.00 0.00 176.83 175.94 3imx h ALA 384 N 1.55 0.94 0.16 5.18 0.00 -1.06 -0.24 119.26 125.79 3imx h ALA 384 Ca 0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3imx h ALA 384 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3imx h ALA 384 CO 0.04 0.63 -0.07 0.78 0.00 0.00 0.00 179.25 180.62 3imx h GLY 385 N 1.12 -0.22 1.02 0.00 0.00 -1.27 -0.58 103.07 103.14 3imx h GLY 385 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3imx h GLY 385 CO 0.07 -0.08 0.49 -2.00 0.00 0.00 0.00 176.54 175.02 3imx h LEU 386 N -0.41 1.07 -0.63 3.11 6.46 -1.31 -1.80 115.31 121.80 3imx h LEU 386 Ca -0.02 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 3imx h LEU 386 Cb 0.32 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 3imx h LEU 386 CO 0.04 0.85 0.34 0.00 -0.62 0.00 0.00 178.44 179.05 3imx h ALA 387 N 1.26 0.81 -1.00 1.25 0.00 -0.97 -0.07 119.26 120.54 3imx h ALA 387 Ca 0.31 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3imx h ALA 387 Cb 0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 3imx h ALA 387 CO -0.05 0.33 0.65 0.78 0.00 0.00 0.00 179.25 180.96 3imx h GLY 388 N 0.86 1.52 0.64 0.00 0.00 -0.33 0.21 103.07 105.97 3imx h GLY 388 Ca 0.22 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3imx h GLY 388 CO -0.04 0.34 -0.04 -2.08 0.00 0.00 0.00 176.54 174.73 3imx h VAL 389 N 1.18 1.34 -0.56 4.60 2.07 -0.72 -2.52 116.25 121.64 3imx h VAL 389 Ca 0.43 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 3imx h VAL 389 Cb 0.16 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3imx h VAL 389 CO -0.17 0.30 -0.04 0.40 0.02 0.00 0.00 177.57 178.09 3imx h ILE 390 N -0.26 1.26 -0.22 4.57 2.04 -0.70 -1.23 117.51 122.98 3imx h ILE 390 Ca 0.01 -1.17 -0.14 0.00 1.00 0.00 0.00 64.86 64.57 3imx h ILE 390 Cb 0.51 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3imx h ILE 390 CO 0.01 0.42 -0.44 0.78 0.00 0.00 0.00 178.15 178.93 3imx h ASN 391 N 0.91 0.59 0.12 1.72 2.35 -0.68 -1.36 115.58 119.22 3imx h ASN 391 Ca 0.16 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3imx h ASN 391 Cb 0.58 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3imx h ASN 391 CO 0.03 0.94 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.61 3imx h ARG 392 N 0.44 -0.15 -0.78 0.81 2.43 -1.18 -2.93 114.38 113.02 3imx h ARG 392 Ca 0.03 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.32 3imx h ARG 392 Cb 0.94 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.45 3imx h ARG 392 CO 0.08 0.02 0.40 0.52 -1.51 0.00 0.00 179.97 179.48 3imx h MET 393 N -0.30 0.62 0.00 0.20 2.86 -1.09 -0.64 114.93 116.57 3imx h MET 393 Ca -0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3imx h MET 393 Cb 0.25 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3imx h MET 393 CO 0.03 0.41 0.09 -0.09 1.06 0.00 0.00 176.91 178.40 3imx h ARG 394 N 0.64 0.00 0.00 1.72 2.43 -1.06 -0.05 114.38 118.06 3imx h ARG 394 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 3imx h ARG 394 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3imx h ARG 394 CO -0.30 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.55 3imx n GLU 395 N -3.01 0.90 -0.05 0.20 1.02 -0.25 -2.85 120.64 116.60 3imx n GLU 395 Ca -0.03 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.17 3imx n GLU 395 Cb 0.15 -1.34 0.07 0.00 -0.02 0.00 0.00 31.44 30.31 3imx n GLU 395 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3imx n SER 396 N -0.84 2.06 -4.07 1.62 7.64 -0.03 -5.01 113.62 114.99 3imx n SER 396 Ca 0.15 -2.55 -0.20 0.00 1.01 0.00 0.00 58.87 57.28 3imx n SER 396 Cb 0.07 -0.23 -0.15 0.00 -1.01 0.00 0.00 64.21 62.89 3imx n SER 396 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3imx s ARG 397 N -1.93 0.90 0.02 1.43 0.52 -1.13 -5.04 118.95 113.71 3imx s ARG 397 Ca 0.17 -0.47 0.27 0.00 -0.52 0.00 0.00 55.73 55.18 3imx s ARG 397 Cb 0.15 -0.87 0.89 0.00 0.52 0.00 0.00 34.95 35.64 3imx s ARG 397 CO 0.02 0.23 1.69 -1.13 0.02 0.00 0.00 175.30 176.13 3imx n SER 398 N 2.62 0.28 -4.76 0.23 3.41 -1.26 -4.91 113.62 109.23 3imx n SER 398 Ca -0.15 0.20 -0.35 0.00 -0.26 0.00 0.00 58.87 58.32 3imx n SER 398 Cb 0.56 -0.20 0.03 0.00 -0.26 0.00 0.00 64.21 64.34 3imx n SER 398 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3imx s GLU 399 N -3.02 2.98 -0.02 4.33 8.01 -1.26 -4.96 118.70 124.77 3imx s GLU 399 Ca 0.12 1.69 -0.23 0.00 0.01 0.00 0.00 54.97 56.56 3imx s GLU 399 Cb 0.18 -1.95 -0.15 0.00 -4.31 0.00 0.00 34.13 27.90 3imx s GLU 399 CO 0.61 -1.16 1.04 -0.44 0.01 0.00 0.00 175.26 175.31 3imx h ASP 400 N 0.74 -0.31 -3.68 -0.19 3.32 -1.93 -3.41 116.42 110.96 3imx h ASP 400 Ca -0.49 -0.23 -0.66 0.00 0.02 0.00 0.00 57.03 55.67 3imx h ASP 400 Cb 1.28 0.08 -0.22 0.00 0.22 0.00 0.00 39.33 40.69 3imx h ASP 400 CO 0.55 0.14 -0.59 -0.69 -1.72 0.00 0.00 179.24 176.93 3imx s VAL 401 N -4.05 4.54 -0.14 -1.35 1.01 -1.26 -4.81 120.40 114.32 3imx s VAL 401 Ca -0.13 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 3imx s VAL 401 Cb 0.01 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3imx s VAL 401 CO 0.49 0.24 0.79 -0.32 0.00 0.00 0.00 175.10 176.29 3imx s MET 402 N 1.63 4.33 -0.35 2.72 1.75 -0.14 -4.87 119.30 124.38 3imx s MET 402 Ca 0.06 0.96 -0.14 0.00 -1.25 0.00 0.00 55.69 55.32 3imx s MET 402 Cb -0.16 -3.54 -0.01 0.00 2.84 0.00 0.00 34.83 33.95 3imx s MET 402 CO 0.05 -0.23 0.31 1.03 -0.65 0.00 0.00 175.02 175.54 3imx s ARG 403 N 1.81 3.51 0.01 4.11 0.52 -1.26 -0.34 118.95 127.31 3imx s ARG 403 Ca 0.38 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 3imx s ARG 403 Cb -0.17 -3.81 -0.01 0.00 0.52 0.00 0.00 34.95 31.48 3imx s ARG 403 CO 0.14 -0.51 -0.04 -1.50 0.02 0.00 0.00 175.30 173.42 3imx s ILE 404 N 1.90 0.27 -0.11 1.52 2.07 -0.88 -4.98 121.20 120.99 3imx s ILE 404 Ca 0.09 -0.37 -0.00 0.00 -1.41 0.00 0.00 60.65 58.96 3imx s ILE 404 Cb -0.17 -0.27 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 3imx s ILE 404 CO 0.11 -0.07 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.09 3imx s THR 405 N -0.44 3.45 -0.21 4.00 2.01 -0.89 -1.67 115.64 121.89 3imx s THR 405 Ca -0.03 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 3imx s THR 405 Cb -0.04 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 3imx s THR 405 CO -0.00 0.54 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.75 3imx s VAL 406 N -0.07 3.57 -0.07 3.82 1.01 -0.03 -2.57 120.40 126.07 3imx s VAL 406 Ca -0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 3imx s VAL 406 Cb -0.14 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 3imx s VAL 406 CO 0.03 0.43 0.50 -0.83 0.00 0.00 0.00 175.10 175.23 3imx s GLY 407 N 1.26 2.47 -0.01 4.51 0.00 -0.35 -0.90 107.32 114.30 3imx s GLY 407 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.65 3imx s GLY 407 CO -0.01 0.67 -0.09 0.14 0.00 0.00 0.00 173.10 173.81 3imx s VAL 408 N 0.11 0.70 0.33 1.40 1.01 0.70 -0.52 120.40 124.13 3imx s VAL 408 Ca 0.27 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3imx s VAL 408 Cb -0.16 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3imx s VAL 408 CO 0.13 0.21 0.13 -0.62 0.00 0.00 0.00 175.10 174.94 3imx s ASP 409 N -0.07 1.92 0.00 3.32 -1.08 -0.41 0.19 116.67 120.55 3imx s ASP 409 Ca 0.01 -1.53 0.00 0.00 -0.52 0.00 0.00 52.55 50.51 3imx s ASP 409 Cb -0.05 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 41.72 3imx s ASP 409 CO -0.00 -0.83 0.00 0.61 0.52 0.00 0.00 175.17 175.47 3imx n GLY 410 N -0.66 3.65 0.30 2.66 0.00 -1.26 -1.59 105.19 108.29 3imx n GLY 410 Ca -0.01 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.56 3imx n GLY 410 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3imx h SER 411 N 0.00 0.50 -0.01 1.61 4.64 -1.85 0.43 113.55 118.86 3imx h SER 411 Ca 0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3imx h SER 411 Cb 0.00 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3imx h SER 411 CO 0.00 0.40 -0.02 0.58 -0.87 0.00 0.00 176.83 176.92 3imx h VAL 412 N 0.58 1.43 -0.65 0.95 2.07 -1.52 0.20 116.25 119.32 3imx h VAL 412 Ca 0.15 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 3imx h VAL 412 Cb 0.01 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3imx h VAL 412 CO -0.03 0.34 0.40 0.22 0.02 0.00 0.00 177.57 178.53 3imx h TYR 413 N -0.49 0.85 0.09 1.57 3.20 -1.23 -2.42 116.97 118.53 3imx h TYR 413 Ca 0.00 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.58 3imx h TYR 413 Cb 0.57 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3imx h TYR 413 CO 0.12 0.57 -1.48 0.87 -1.64 0.00 0.00 178.16 176.59 3imx h LYS 414 N 0.88 0.19 -0.00 1.82 1.57 -0.91 -3.40 116.57 116.71 3imx h LYS 414 Ca 0.23 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3imx h LYS 414 Cb -0.04 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3imx h LYS 414 CO -0.05 1.04 -0.67 1.28 -0.57 0.00 0.00 179.45 180.48 3imx n LEU 415 N -3.40 0.75 -4.69 2.94 4.32 0.71 -4.92 117.00 112.71 3imx n LEU 415 Ca -0.14 -0.52 -0.42 0.00 -0.02 0.00 0.00 56.01 54.92 3imx n LEU 415 Cb 1.03 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.80 3imx n LEU 415 CO 0.49 0.18 0.64 -2.28 -1.22 0.00 0.00 177.39 175.21 3imx s HIS 416 N -2.35 3.52 0.34 -1.77 2.46 -0.91 -4.94 115.29 111.63 3imx s HIS 416 Ca 0.06 1.44 0.13 0.00 0.47 0.00 0.00 55.06 57.16 3imx s HIS 416 Cb 0.11 -3.05 1.09 0.00 -0.13 0.00 0.00 32.58 30.60 3imx s HIS 416 CO 0.59 -0.14 1.54 -2.30 -2.47 0.00 0.00 174.74 171.96 3imx n PRO 417 N 4.68 -0.07 -0.09 2.88 -0.02 -1.26 -3.50 135.00 137.62 3imx n PRO 417 Ca 0.05 1.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.93 3imx n PRO 417 Cb 0.50 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3imx n PRO 417 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3imx n SER 418 N -5.31 0.16 0.12 2.55 3.41 -1.26 -4.88 113.62 108.41 3imx n SER 418 Ca 0.32 -1.27 -0.13 0.00 -0.26 0.00 0.00 58.87 57.52 3imx n SER 418 Cb 1.06 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.89 3imx n SER 418 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3imx h PHE 419 N 0.00 -0.21 -0.55 7.33 3.04 -1.87 -2.84 116.94 121.84 3imx h PHE 419 Ca 0.00 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.05 3imx h PHE 419 Cb 1.04 0.07 -0.11 0.00 2.56 0.00 0.00 35.95 39.51 3imx h PHE 419 CO 0.02 -0.10 -0.20 -0.22 -2.02 0.00 0.00 178.31 175.78 3imx h LYS 420 N -0.27 -0.07 -0.39 1.11 3.64 -1.79 0.11 116.57 118.91 3imx h LYS 420 Ca -0.02 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3imx h LYS 420 Cb 0.21 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3imx h LYS 420 CO 0.04 -0.05 -0.05 1.05 -2.27 0.00 0.00 179.45 178.17 3imx h GLU 421 N -0.07 0.72 -0.26 1.90 9.09 -1.91 0.67 114.58 124.72 3imx h GLU 421 Ca 0.26 -0.25 -0.01 0.00 0.05 0.00 0.00 59.36 59.41 3imx h GLU 421 Cb 0.47 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 3imx h GLU 421 CO -0.60 0.84 0.14 0.00 0.05 0.00 0.00 179.01 179.44 3imx h ARG 422 N 0.53 0.37 0.27 1.06 3.08 -1.21 -1.39 114.38 117.10 3imx h ARG 422 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3imx h ARG 422 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3imx h ARG 422 CO 0.03 0.33 -0.28 0.35 -1.07 0.00 0.00 179.97 179.33 3imx h PHE 423 N 0.31 -0.75 -0.50 3.04 3.57 -0.72 -1.41 116.94 120.47 3imx h PHE 423 Ca 0.09 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.67 3imx h PHE 423 Cb 0.07 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 3imx h PHE 423 CO -0.03 -0.41 0.16 0.45 -2.23 0.00 0.00 178.31 176.25 3imx h HIS 424 N -0.59 0.27 -0.38 0.41 3.86 -0.71 -0.07 115.15 117.94 3imx h HIS 424 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3imx h HIS 424 Cb 0.54 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3imx h HIS 424 CO -0.18 0.07 0.24 0.00 0.86 0.00 0.00 177.93 178.92 3imx h ALA 425 N 1.35 0.48 -0.42 2.45 0.00 -1.06 -0.55 119.26 121.50 3imx h ALA 425 Ca 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3imx h ALA 425 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3imx h ALA 425 CO -0.27 -0.05 0.05 1.03 0.00 0.00 0.00 179.25 180.01 3imx h SER 426 N 0.50 0.68 -0.26 0.00 0.87 -0.83 -1.73 113.55 112.79 3imx h SER 426 Ca 0.14 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 3imx h SER 426 Cb -0.04 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 3imx h SER 426 CO -0.03 0.78 0.13 0.58 -0.53 0.00 0.00 176.83 177.76 3imx h VAL 427 N 0.56 0.99 -1.00 2.23 2.07 -0.73 -2.74 116.25 117.63 3imx h VAL 427 Ca 0.13 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3imx h VAL 427 Cb 0.40 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3imx h VAL 427 CO 0.01 0.05 0.66 0.03 0.02 0.00 0.00 177.57 178.34 3imx h ARG 428 N 0.27 1.32 0.00 1.57 3.08 -0.93 -1.85 114.38 117.84 3imx h ARG 428 Ca 0.11 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3imx h ARG 428 Cb 0.03 -0.30 -0.00 0.00 0.08 0.00 0.00 29.97 29.78 3imx h ARG 428 CO -0.07 0.87 -0.13 0.00 -1.07 0.00 0.00 179.97 179.57 3imx h ARG 429 N 1.36 0.00 -0.02 0.04 3.08 -1.08 -2.55 114.38 115.21 3imx h ARG 429 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3imx h ARG 429 Cb -0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3imx h ARG 429 CO -0.08 0.13 -0.19 1.28 -1.07 0.00 0.00 179.97 180.04 3imx n LEU 430 N -3.89 1.89 -2.99 3.04 4.77 -0.75 -4.59 117.00 114.47 3imx n LEU 430 Ca -0.02 -0.63 -0.24 0.00 -0.03 0.00 0.00 56.01 55.09 3imx n LEU 430 Cb 0.22 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3imx n LEU 430 CO 0.32 0.33 0.04 0.35 -1.33 0.00 0.00 177.39 177.09 3imx n THR 431 N 0.20 2.07 -1.47 -5.08 -2.24 -0.87 -4.97 114.28 101.93 3imx n THR 431 Ca 0.14 -5.23 -0.35 0.00 -2.27 0.00 0.00 64.05 56.34 3imx n THR 431 Cb 0.44 -1.03 0.09 0.00 -2.10 0.00 0.00 70.33 67.74 3imx n THR 431 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3imx s PRO 432 N -3.17 2.17 -0.19 -0.78 0.02 -1.26 -2.21 135.00 129.57 3imx s PRO 432 Ca 0.46 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3imx s PRO 432 Cb 0.31 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 33.01 3imx s PRO 432 CO -0.12 -1.84 0.00 0.43 -0.33 0.00 0.00 177.00 175.14 3imx n SER 433 N -2.56 -4.00 -4.05 2.53 7.64 -1.26 -4.99 113.62 106.94 3imx n SER 433 Ca 0.14 0.04 -0.28 0.00 1.01 0.00 0.00 58.87 59.79 3imx n SER 433 Cb 0.49 -1.66 -0.17 0.00 -1.01 0.00 0.00 64.21 61.87 3imx n SER 433 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3imx s GLU 435 N 0.96 2.76 -0.16 0.00 2.12 0.54 -4.93 118.70 119.98 3imx s GLU 435 Ca -0.08 -1.52 -0.08 0.00 0.36 0.00 0.00 54.97 53.65 3imx s GLU 435 Cb -0.15 -4.00 -0.05 0.00 0.26 0.00 0.00 34.13 30.20 3imx s GLU 435 CO -0.01 -1.08 0.13 0.42 -0.54 0.00 0.00 175.26 174.18 3imx s ILE 436 N 1.51 5.43 -0.14 -3.70 1.01 -1.26 -2.06 121.20 121.99 3imx s ILE 436 Ca 0.04 0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.89 3imx s ILE 436 Cb -0.25 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 3imx s ILE 436 CO 0.03 0.52 -0.18 -0.89 0.00 0.00 0.00 174.94 174.42 3imx s THR 437 N -0.29 2.45 -0.17 2.92 2.01 -0.67 -5.01 115.64 116.88 3imx s THR 437 Ca 0.11 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 3imx s THR 437 Cb -0.11 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 3imx s THR 437 CO 0.01 0.53 0.08 -0.36 -0.69 0.00 0.00 174.62 174.19 3imx s PHE 438 N 0.66 3.31 -0.18 4.92 0.08 -1.26 -0.85 117.98 124.66 3imx s PHE 438 Ca -0.09 0.18 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 3imx s PHE 438 Cb -0.16 -2.07 -0.00 0.00 -0.57 0.00 0.00 43.02 40.22 3imx s PHE 438 CO 0.02 0.26 -0.12 0.42 -0.10 0.00 0.00 175.22 175.70 3imx s ILE 439 N 0.16 2.84 -0.40 0.64 -1.09 -0.08 -4.96 121.20 118.32 3imx s ILE 439 Ca 0.06 -0.69 -0.24 0.00 -2.23 0.00 0.00 60.65 57.55 3imx s ILE 439 Cb -0.12 -2.24 0.02 0.00 -1.58 0.00 0.00 42.46 38.54 3imx s ILE 439 CO 0.00 0.49 0.83 -0.70 -1.23 0.00 0.00 174.94 174.33 3imx s GLU 440 N 1.12 3.67 0.15 2.79 2.12 -1.26 -0.22 118.70 127.08 3imx s GLU 440 Ca 0.01 0.25 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 3imx s GLU 440 Cb -0.14 -3.85 -0.07 0.00 0.26 0.00 0.00 34.13 30.32 3imx s GLU 440 CO -0.04 -0.98 1.09 0.45 -0.54 0.00 0.00 175.26 175.24 3imx s SER 441 N 1.97 7.29 -0.35 -1.70 0.15 0.13 -4.91 113.70 116.27 3imx s SER 441 Ca 0.33 2.03 -0.07 0.00 0.70 0.00 0.00 55.95 58.94 3imx s SER 441 Cb -0.12 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.63 3imx s SER 441 CO 0.20 -0.22 0.14 -0.70 1.20 0.00 0.00 173.24 173.85 3imx s GLU 442 N -0.17 2.64 -2.01 5.44 2.12 -1.26 -4.54 118.70 120.92 3imx s GLU 442 Ca 0.50 -1.20 0.00 0.00 0.36 0.00 0.00 54.97 54.63 3imx s GLU 442 Cb -0.28 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.57 3imx s GLU 442 CO 0.34 -0.70 0.00 -0.85 -0.54 0.00 0.00 175.26 173.50 3imx n GLU 443 N 4.84 -1.35 -0.36 4.30 0.28 -1.26 -4.91 120.64 122.19 3imx n GLU 443 Ca -0.12 1.16 -0.01 0.00 -0.16 0.00 0.00 57.16 58.02 3imx n GLU 443 Cb 0.45 -5.49 0.13 0.00 1.43 0.00 0.00 31.44 27.96 3imx n GLU 443 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3imx h GLY 444 N 0.00 1.39 0.21 -1.84 0.00 -1.91 0.03 103.07 100.94 3imx h GLY 444 Ca -0.40 -0.51 0.18 0.00 0.00 0.00 0.00 47.33 46.60 3imx h GLY 444 CO 0.57 0.49 0.61 1.76 0.00 0.00 0.00 176.54 179.98 3imx h SER 445 N 1.32 0.75 0.14 0.19 0.02 -1.84 0.32 113.55 114.46 3imx h SER 445 Ca 0.36 0.08 -0.28 0.00 -0.84 0.00 0.00 61.79 61.11 3imx h SER 445 Cb -0.14 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3imx h SER 445 CO -0.08 0.30 -1.41 1.23 -1.14 0.00 0.00 176.83 175.73 3imx h GLY 446 N 0.75 0.34 1.29 -3.77 0.00 -1.74 -3.35 103.07 96.58 3imx h GLY 446 Ca 0.55 -0.86 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 3imx h GLY 446 CO -0.33 0.75 -0.39 -0.09 0.00 0.00 0.00 176.54 176.48 3imx h ARG 447 N -0.21 0.78 -0.71 4.80 2.43 -0.65 -3.10 114.38 117.71 3imx h ARG 447 Ca -0.29 -0.40 0.08 0.00 -0.81 0.00 0.00 59.98 58.56 3imx h ARG 447 Cb 1.83 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.34 3imx h ARG 447 CO 0.10 1.03 0.47 0.78 -1.51 0.00 0.00 179.97 180.84 3imx h GLY 448 N 0.90 0.89 1.05 2.80 0.00 -0.47 -0.25 103.07 107.98 3imx h GLY 448 Ca 0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 3imx h GLY 448 CO 0.09 0.17 0.13 0.00 0.00 0.00 0.00 176.54 176.93 3imx h ALA 449 N 1.63 0.85 -0.30 3.60 0.00 -1.68 -1.09 119.26 122.27 3imx h ALA 449 Ca 0.32 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3imx h ALA 449 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3imx h ALA 449 CO -0.11 0.59 -0.22 0.00 0.00 0.00 0.00 179.25 179.51 3imx h ALA 450 N 1.05 0.42 -0.88 0.00 0.00 -1.36 -2.48 119.26 116.00 3imx h ALA 450 Ca 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3imx h ALA 450 Cb 0.40 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3imx h ALA 450 CO 0.01 0.38 0.50 -0.07 0.00 0.00 0.00 179.25 180.07 3imx h LEU 451 N 0.42 1.09 -0.92 0.00 3.38 -0.90 -2.34 115.31 116.03 3imx h LEU 451 Ca 0.06 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3imx h LEU 451 Cb 0.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3imx h LEU 451 CO 0.06 0.86 -0.38 1.62 0.09 0.00 0.00 178.44 180.69 3imx h VAL 452 N 1.22 1.30 -0.90 1.22 3.04 -1.18 -2.96 116.25 117.99 3imx h VAL 452 Ca 0.31 -1.46 -0.01 0.00 -1.01 0.00 0.00 66.70 64.53 3imx h VAL 452 Cb 0.00 1.60 -0.04 0.00 -2.01 0.00 0.00 31.29 30.84 3imx h VAL 452 CO -0.05 0.44 0.54 0.28 -1.01 0.00 0.00 177.57 177.77 3imx h SER 453 N 0.27 1.09 -0.51 3.17 0.02 -0.95 0.10 113.55 116.74 3imx h SER 453 Ca 0.03 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3imx h SER 453 Cb 0.79 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3imx h SER 453 CO 0.06 0.83 0.24 0.00 -1.14 0.00 0.00 176.83 176.83 3imx h ALA 454 N 1.35 0.66 -0.53 3.77 0.00 -1.32 0.21 119.26 123.40 3imx h ALA 454 Ca 0.32 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3imx h ALA 454 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3imx h ALA 454 CO -0.06 0.23 -0.14 0.28 0.00 0.00 0.00 179.25 179.56 3imx h VAL 455 N 0.68 1.27 -0.23 0.00 2.07 -1.42 -1.60 116.25 117.01 3imx h VAL 455 Ca 0.18 -1.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 3imx h VAL 455 Cb 0.13 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3imx h VAL 455 CO -0.02 0.46 -0.25 0.00 0.02 0.00 0.00 177.57 177.78 3imx h ALA 456 N 0.92 1.14 -0.26 1.67 0.00 -0.37 0.82 119.26 123.17 3imx h ALA 456 Ca 0.13 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 3imx h ALA 456 Cb 0.71 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3imx h ALA 456 CO 0.05 0.54 -0.53 0.00 0.00 0.00 0.00 179.25 179.32 3imx h LYS 458 N 0.59 0.55 -0.48 0.00 1.63 -1.03 -2.94 116.57 114.89 3imx h LYS 458 Ca 0.02 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.56 3imx h LYS 458 Cb 1.11 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 3imx h LYS 458 CO 0.11 0.83 0.30 -0.22 -3.45 0.00 0.00 179.45 177.02 3imx h LYS 459 N 0.27 0.64 -0.75 1.90 3.64 -0.78 0.41 116.57 121.90 3imx h LYS 459 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3imx h LYS 459 Cb 0.69 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3imx h LYS 459 CO 0.04 0.44 0.00 0.00 -2.27 0.00 0.00 179.45 177.67 3imx n ALA 460 N -2.46 2.79 -0.63 5.00 0.00 -0.68 -5.09 120.51 119.43 3imx n ALA 460 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3imx n ALA 460 Cb 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3imx n ALA 460 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50