#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dka s SER 2 N 0.00 3.42 0.16 6.12 1.04 -1.26 -4.80 113.70 118.38 2dka s SER 2 Ca 0.00 0.91 -0.12 0.00 0.48 0.00 0.00 55.95 57.22 2dka s SER 2 Cb 0.00 -1.44 0.05 0.00 0.10 0.00 0.00 66.02 64.73 2dka s SER 2 CO 0.00 -2.60 1.66 -0.29 0.98 0.00 0.00 173.24 172.99 2dka h ILE 3 N -1.53 1.25 -0.75 -1.02 6.09 -1.99 -1.62 117.51 117.93 2dka h ILE 3 Ca -0.50 -0.92 -0.02 0.00 -1.37 0.00 0.00 64.86 62.05 2dka h ILE 3 Cb 1.33 0.78 -0.04 0.00 0.47 0.00 0.00 36.82 39.36 2dka h ILE 3 CO 0.60 0.34 0.40 -0.33 -3.07 0.00 0.00 178.15 176.08 2dka h GLU 4 N 0.80 1.05 -0.18 2.19 3.07 -1.93 -0.65 114.58 118.93 2dka h GLU 4 Ca 0.17 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.78 2dka h GLU 4 Cb 0.37 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2dka h GLU 4 CO 0.01 0.78 -0.39 1.96 -1.40 0.00 0.00 179.01 179.97 2dka h GLN 5 N 1.06 0.58 -0.51 2.33 4.20 -1.87 -1.36 115.11 119.54 2dka h GLN 5 Ca 0.26 -0.39 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 2dka h GLN 5 Cb 0.05 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2dka h GLN 5 CO -0.04 1.00 -0.04 1.79 -0.67 0.00 0.00 178.83 180.87 2dka h THR 6 N 0.24 1.27 -0.61 -0.54 1.35 -1.14 -3.10 112.91 110.38 2dka h THR 6 Ca 0.00 -1.15 -0.08 0.00 -0.55 0.00 0.00 66.41 64.63 2dka h THR 6 Cb 0.99 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 2dka h THR 6 CO 0.09 0.40 0.07 0.25 -0.25 0.00 0.00 175.52 176.07 2dka h LEU 7 N 0.78 1.00 -2.66 3.87 5.85 -1.09 -2.81 115.31 120.25 2dka h LEU 7 Ca 0.14 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2dka h LEU 7 Cb 0.57 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2dka h LEU 7 CO 0.03 1.03 0.02 0.77 -0.34 0.00 0.00 178.44 179.95 2dka h SER 8 N 0.94 0.00 0.99 1.25 4.64 -1.17 -0.79 113.55 119.41 2dka h SER 8 Ca 0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 2dka h SER 8 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2dka h SER 8 CO 0.02 0.00 -0.19 -0.61 -0.87 0.00 0.00 176.83 175.18 2dka h GLN 9 N 0.00 0.00 0.00 4.77 4.15 -1.47 -3.37 115.11 119.19 2dka h GLN 9 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2dka h GLN 9 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2dka h GLN 9 CO -0.00 0.19 -0.97 0.66 -1.93 0.00 0.00 178.83 176.78 2dka n TYR 10 N -3.33 0.00 -0.31 3.99 4.02 -0.67 -4.79 117.16 116.07 2dka n TYR 10 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 2dka n TYR 10 Cb 0.42 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 40.07 2dka n TYR 10 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2dka h LEU 11 N 0.00 0.22 -1.78 7.72 5.85 -1.34 -0.78 115.31 125.20 2dka h LEU 11 Ca 0.00 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2dka h LEU 11 Cb 0.65 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2dka h LEU 11 CO 0.00 -0.09 0.25 -0.65 -0.34 0.00 0.00 178.44 177.60 2dka h PRO 12 N 0.30 0.27 0.00 5.25 0.11 -1.85 -1.24 132.00 134.84 2dka h PRO 12 Ca 0.59 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.68 2dka h PRO 12 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2dka h PRO 12 CO -0.60 0.18 0.00 0.43 -0.21 0.00 0.00 178.00 177.80 2dka n SER 13 N -4.48 0.00 -3.26 -2.05 7.64 -0.30 -4.26 113.62 106.90 2dka n SER 13 Ca 0.04 -0.20 -0.25 0.00 1.01 0.00 0.00 58.87 59.47 2dka n SER 13 Cb 0.23 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.12 2dka n SER 13 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2dka n HIS 14 N -1.24 1.28 -2.04 1.43 8.25 -0.47 -5.05 115.22 117.39 2dka n HIS 14 Ca 0.13 -3.81 -0.38 0.00 -0.26 0.00 0.00 57.72 53.40 2dka n HIS 14 Cb 0.19 -0.43 0.01 0.00 1.12 0.00 0.00 29.99 30.87 2dka n HIS 14 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2dka s PRO 15 N -1.80 3.69 -0.05 -0.41 0.04 -1.26 -4.72 135.00 130.48 2dka s PRO 15 Ca 0.38 2.07 -0.17 0.00 0.04 0.00 0.00 61.00 63.32 2dka s PRO 15 Cb 0.18 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 2dka s PRO 15 CO -0.07 -0.70 0.45 0.21 0.04 0.00 0.00 177.00 176.93 2dka s LYS 16 N -2.55 4.14 -0.14 4.56 2.20 -1.26 -4.51 119.74 122.18 2dka s LYS 16 Ca 0.63 0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 56.39 2dka s LYS 16 Cb -0.36 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 2dka s LYS 16 CO 0.45 0.45 1.62 -2.14 -0.36 0.00 0.00 175.35 175.37 2dka s PRO 17 N -0.32 3.98 0.79 4.03 0.02 -1.26 -4.97 135.00 137.27 2dka s PRO 17 Ca 0.25 1.91 -0.14 0.00 0.02 0.00 0.00 61.00 63.04 2dka s PRO 17 Cb -0.16 -4.00 0.07 0.00 0.02 0.00 0.00 34.50 30.43 2dka s PRO 17 CO 0.12 -1.07 1.21 1.14 -0.33 0.00 0.00 177.00 178.07 2dka s GLN 18 N 4.34 1.73 -0.30 5.54 0.00 -1.26 -4.38 119.66 125.35 2dka s GLN 18 Ca 0.72 1.77 -0.10 0.00 -0.00 0.00 0.00 55.36 57.74 2dka s GLN 18 Cb -0.29 -1.79 0.01 0.00 0.00 0.00 0.00 33.01 30.95 2dka s GLN 18 CO 0.28 -2.14 0.26 0.41 0.00 0.00 0.00 175.29 174.10 2dka n GLY 19 N 0.48 -1.93 0.00 2.60 0.00 -1.26 -5.05 105.19 100.03 2dka n GLY 19 Ca 0.14 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.84 2dka n GLY 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2dka n VAL 20 N 0.44 0.00 -3.92 1.61 3.14 -1.26 -5.15 118.33 113.18 2dka n VAL 20 Ca 0.02 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.05 2dka n VAL 20 Cb 0.33 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.97 2dka n VAL 20 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2dka s THR 21 N 0.00 3.44 0.28 1.55 2.01 -1.26 -5.02 115.64 116.65 2dka s THR 21 Ca 0.00 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 2dka s THR 21 Cb 0.00 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 2dka s THR 21 CO 0.00 0.42 0.49 -0.36 -0.69 0.00 0.00 174.62 174.48 2dka s PHE 22 N 1.45 3.49 -0.13 4.92 0.40 -1.26 -5.10 117.98 121.74 2dka s PHE 22 Ca 0.05 0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.73 2dka s PHE 22 Cb -0.14 -1.91 0.07 0.00 0.51 0.00 0.00 43.02 41.55 2dka s PHE 22 CO -0.03 0.24 0.24 0.99 0.70 0.00 0.00 175.22 177.37 2dka s THR 23 N -2.10 -0.38 -0.40 0.64 2.01 -1.26 -4.84 115.64 109.31 2dka s THR 23 Ca 0.40 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 62.36 2dka s THR 23 Cb -0.10 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 71.98 2dka s THR 23 CO 0.32 0.09 1.20 -0.47 -0.69 0.00 0.00 174.62 175.07 2dka s TYR 24 N 2.39 2.80 0.00 4.92 5.04 -1.26 -4.59 117.35 126.64 2dka s TYR 24 Ca 0.02 0.85 0.00 0.00 -2.44 0.00 0.00 57.07 55.50 2dka s TYR 24 Cb -0.12 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.04 2dka s TYR 24 CO -0.08 -1.36 0.00 0.41 -1.34 0.00 0.00 175.55 173.17 2dka n GLY 25 N 4.57 3.88 0.32 8.97 0.00 -0.75 -4.76 105.19 117.43 2dka n GLY 25 Ca 0.13 -2.05 -0.00 0.00 0.00 0.00 0.00 46.02 44.11 2dka n GLY 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2dka h THR 26 N 0.02 1.07 -0.34 2.61 1.35 -2.01 0.69 112.91 116.31 2dka h THR 26 Ca 0.00 -0.34 -0.09 0.00 -0.55 0.00 0.00 66.41 65.43 2dka h THR 26 Cb 0.00 -0.01 -0.05 0.00 -1.73 0.00 0.00 68.15 66.36 2dka h THR 26 CO 0.00 0.18 0.11 0.00 -0.25 0.00 0.00 175.52 175.56 2dka n ALA 27 N -2.35 3.44 -0.91 6.62 0.00 -1.26 -4.99 120.51 121.06 2dka n ALA 27 Ca 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.50 2dka n ALA 27 Cb 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2dka n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dka n GLY 28 N 0.09 2.29 3.69 0.00 0.00 0.23 -4.49 105.19 107.01 2dka n GLY 28 Ca 0.18 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2dka n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dka s PHE 29 N 0.00 3.39 0.00 1.61 0.40 -0.78 -1.80 117.98 120.79 2dka s PHE 29 Ca 0.00 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.80 2dka s PHE 29 Cb 0.00 -2.35 -0.00 0.00 0.51 0.00 0.00 43.02 41.18 2dka s PHE 29 CO 0.00 0.13 -0.02 1.03 0.70 0.00 0.00 175.22 177.06 2dka s ARG 30 N 0.84 0.15 0.00 0.44 0.52 -1.26 -1.47 118.95 118.18 2dka s ARG 30 Ca 0.14 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 2dka s ARG 30 Cb -0.13 -0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.23 2dka s ARG 30 CO 0.04 0.03 0.00 0.00 0.02 0.00 0.00 175.30 175.39 2dka n MET 31 N 2.85 -1.79 -1.67 3.54 0.00 -0.99 -5.03 117.12 114.03 2dka n MET 31 Ca -0.14 0.00 -0.47 0.00 0.00 0.00 0.00 57.70 57.09 2dka n MET 31 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.76 2dka n MET 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2dka n LYS 32 N -0.06 2.13 -0.33 3.17 4.76 -1.26 -1.82 118.16 124.74 2dka n LYS 32 Ca 0.00 0.77 0.28 0.00 -2.87 0.00 0.00 58.31 56.50 2dka n LYS 32 Cb 0.00 -2.58 0.60 0.00 -1.84 0.00 0.00 35.03 31.21 2dka n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dka h ALA 33 N 7.61 2.58 0.00 7.82 0.00 -1.49 0.23 119.26 136.00 2dka h ALA 33 Ca -0.47 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2dka h ALA 33 Cb 1.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2dka h ALA 33 CO 0.92 -0.98 0.00 -0.40 0.00 0.00 0.00 179.25 178.79 2dka n ASP 34 N -4.49 0.00 -0.75 0.00 5.75 -1.26 -2.49 116.55 113.31 2dka n ASP 34 Ca 0.27 0.28 0.04 0.00 -0.01 0.00 0.00 54.79 55.37 2dka n ASP 34 Cb 1.05 -0.39 0.20 0.00 -1.03 0.00 0.00 41.12 40.96 2dka n ASP 34 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2dka n LYS 35 N -1.39 1.96 0.00 0.11 4.76 0.82 -4.67 118.16 119.74 2dka n LYS 35 Ca 0.05 -2.98 0.00 0.00 -2.87 0.00 0.00 58.31 52.51 2dka n LYS 35 Cb 0.14 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 2dka n LYS 35 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2dka n LEU 36 N -1.03 0.43 0.08 -0.35 7.94 -1.04 -4.77 117.00 118.26 2dka n LEU 36 Ca 0.24 -0.71 -0.12 0.00 -1.11 0.00 0.00 56.01 54.31 2dka n LEU 36 Cb 0.85 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.75 2dka n LEU 36 CO 0.10 0.11 0.71 -0.78 -1.11 0.00 0.00 177.39 176.42 2dka h ASP 37 N 0.00 -0.68 -0.23 1.96 1.82 -1.83 0.11 116.42 117.57 2dka h ASP 37 Ca 0.00 0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 2dka h ASP 37 Cb 0.00 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 2dka h ASP 37 CO 0.00 -0.31 0.08 0.22 -1.61 0.00 0.00 179.24 177.62 2dka h TYR 38 N -0.39 0.37 -0.24 0.28 3.20 -1.85 -2.22 116.97 116.12 2dka h TYR 38 Ca 0.05 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2dka h TYR 38 Cb 0.45 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2dka h TYR 38 CO -0.25 0.42 0.03 0.28 -1.64 0.00 0.00 178.16 176.99 2dka h VAL 39 N 0.21 0.86 0.00 1.81 2.07 -1.81 -1.36 116.25 118.02 2dka h VAL 39 Ca 0.08 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 2dka h VAL 39 Cb 0.22 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2dka h VAL 39 CO -0.00 0.02 -0.28 0.00 0.02 0.00 0.00 177.57 177.32 2dka h THR 40 N 0.11 1.08 -0.43 2.57 1.03 -0.76 -1.60 112.91 114.92 2dka h THR 40 Ca 0.11 -1.02 -0.01 0.00 -0.01 0.00 0.00 66.41 65.49 2dka h THR 40 Cb 0.13 1.57 -0.02 0.00 -1.07 0.00 0.00 68.15 68.76 2dka h THR 40 CO -0.17 0.28 0.22 0.15 -0.01 0.00 0.00 175.52 175.99 2dka h PHE 41 N 0.00 0.60 0.00 0.00 3.57 -0.68 -2.25 116.94 118.18 2dka h PHE 41 Ca -0.00 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2dka h PHE 41 Cb 0.54 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2dka h PHE 41 CO 0.00 0.47 -0.34 1.79 -2.23 0.00 0.00 178.31 178.00 2dka h THR 42 N 0.55 1.16 -0.21 4.41 1.35 -0.38 -2.32 112.91 117.48 2dka h THR 42 Ca 0.15 -1.20 -0.08 0.00 -0.55 0.00 0.00 66.41 64.74 2dka h THR 42 Cb 0.08 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 2dka h THR 42 CO -0.02 0.33 -0.20 0.58 -0.25 0.00 0.00 175.52 175.96 2dka h VAL 43 N 0.00 1.24 -0.87 6.82 2.07 -0.77 -0.87 116.25 123.87 2dka h VAL 43 Ca -0.00 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2dka h VAL 43 Cb 0.63 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2dka h VAL 43 CO 0.04 0.34 0.50 1.23 0.02 0.00 0.00 177.57 179.71 2dka h GLY 44 N 0.95 1.29 0.82 2.17 0.00 -0.91 -0.31 103.07 107.07 2dka h GLY 44 Ca 0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2dka h GLY 44 CO 0.04 0.54 0.01 -2.22 0.00 0.00 0.00 176.54 174.90 2dka h ILE 45 N 1.21 1.25 -0.34 2.60 2.04 -1.31 -2.53 117.51 120.42 2dka h ILE 45 Ca 0.31 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 2dka h ILE 45 Cb -0.01 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2dka h ILE 45 CO -0.05 0.25 0.01 -0.29 0.00 0.00 0.00 178.15 178.07 2dka h ILE 46 N 0.10 1.19 -0.48 -0.67 6.09 -0.86 -1.21 117.51 121.67 2dka h ILE 46 Ca 0.06 -0.74 -0.06 0.00 -1.37 0.00 0.00 64.86 62.74 2dka h ILE 46 Cb 0.37 0.92 -0.02 0.00 0.47 0.00 0.00 36.82 38.56 2dka h ILE 46 CO 0.01 0.26 0.05 0.00 -3.07 0.00 0.00 178.15 175.40 2dka h ALA 47 N 1.52 0.64 -0.44 0.18 0.00 -0.96 0.11 119.26 120.31 2dka h ALA 47 Ca 0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2dka h ALA 47 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2dka h ALA 47 CO 0.01 0.39 0.02 1.03 0.00 0.00 0.00 179.25 180.70 2dka h SER 48 N 0.67 0.74 -0.49 0.00 0.87 -1.07 -1.27 113.55 113.00 2dka h SER 48 Ca 0.14 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 2dka h SER 48 Cb 0.43 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2dka h SER 48 CO 0.01 0.85 0.17 -0.07 -0.53 0.00 0.00 176.83 177.27 2dka h LEU 49 N 0.61 0.75 -0.44 2.23 3.38 -1.02 -1.50 115.31 119.32 2dka h LEU 49 Ca 0.13 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2dka h LEU 49 Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2dka h LEU 49 CO 0.02 0.71 0.02 -0.09 0.09 0.00 0.00 178.44 179.19 2dka h ARG 50 N 0.79 0.75 -0.08 1.13 9.65 -0.49 0.11 114.38 126.24 2dka h ARG 50 Ca 0.18 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2dka h ARG 50 Cb 0.23 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.73 2dka h ARG 50 CO -0.01 0.81 0.05 1.03 2.80 0.00 0.00 179.97 184.65 2dka h SER 51 N 0.60 0.10 -0.76 -3.80 0.87 -0.89 -0.62 113.55 109.05 2dka h SER 51 Ca 0.13 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2dka h SER 51 Cb 0.46 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 2dka h SER 51 CO 0.02 0.10 0.49 0.11 -0.53 0.00 0.00 176.83 177.02 2dka h LYS 52 N 0.08 1.01 -0.96 2.24 1.57 -1.15 0.35 116.57 119.71 2dka h LYS 52 Ca 0.03 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2dka h LYS 52 Cb 0.02 -0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.04 2dka h LYS 52 CO -0.01 0.69 0.61 -0.92 -0.57 0.00 0.00 179.45 179.25 2dka h TYR 53 N 1.03 1.13 -0.51 -1.35 3.20 -0.45 -1.28 116.97 118.75 2dka h TYR 53 Ca 0.28 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.90 2dka h TYR 53 Cb -0.09 -0.37 -0.16 0.00 1.54 0.00 0.00 36.73 37.66 2dka h TYR 53 CO -0.02 0.56 0.35 1.28 -1.64 0.00 0.00 178.16 178.69 2dka n LEU 54 N -4.56 5.12 -2.36 2.82 4.77 -0.27 -4.87 117.00 117.66 2dka n LEU 54 Ca 0.15 -2.68 -0.21 0.00 -0.03 0.00 0.00 56.01 53.25 2dka n LEU 54 Cb 0.21 -0.72 -0.01 0.00 -2.33 0.00 0.00 43.42 40.57 2dka n LEU 54 CO 0.31 0.84 -0.27 0.00 -1.33 0.00 0.00 177.39 176.94 2dka n GLN 55 N -0.26 -1.67 -0.34 3.23 1.13 -0.48 -2.72 117.38 116.28 2dka n GLN 55 Ca 0.31 1.03 0.00 0.00 -1.94 0.00 0.00 57.00 56.39 2dka n GLN 55 Cb 1.03 -5.68 0.00 0.00 0.11 0.00 0.00 30.24 25.70 2dka n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dka n GLY 56 N -0.99 0.74 3.75 1.08 0.00 0.11 -4.98 105.19 104.90 2dka n GLY 56 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2dka n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dka s LYS 57 N -0.66 2.96 0.06 1.61 1.02 -1.10 -4.21 119.74 119.41 2dka s LYS 57 Ca 0.00 1.96 -0.31 0.00 0.02 0.00 0.00 55.97 57.65 2dka s LYS 57 Cb 0.00 -2.01 -0.06 0.00 -0.52 0.00 0.00 37.83 35.24 2dka s LYS 57 CO 0.00 -1.25 1.26 0.99 -0.92 0.00 0.00 175.35 175.44 2dka s THR 58 N -1.48 3.85 -0.06 2.17 2.01 -1.26 -4.45 115.64 116.42 2dka s THR 58 Ca 0.77 1.31 0.03 0.00 0.31 0.00 0.00 61.69 64.11 2dka s THR 58 Cb -0.34 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2dka s THR 58 CO 0.38 0.08 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.54 2dka s VAL 59 N 1.32 2.90 0.26 3.82 1.01 -0.61 -3.73 120.40 125.37 2dka s VAL 59 Ca 0.60 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.89 2dka s VAL 59 Cb -0.31 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2dka s VAL 59 CO 0.28 0.58 0.17 -0.83 0.00 0.00 0.00 175.10 175.30 2dka s GLY 60 N -0.46 1.47 -0.02 4.51 0.00 -0.03 -1.28 107.32 111.52 2dka s GLY 60 Ca 0.06 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.31 2dka s GLY 60 CO 0.02 -1.51 -0.00 0.14 0.00 0.00 0.00 173.10 171.75 2dka s VAL 61 N -2.18 0.14 -0.11 1.40 1.01 0.01 -0.02 120.40 120.66 2dka s VAL 61 Ca 0.33 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2dka s VAL 61 Cb -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.10 2dka s VAL 61 CO 0.24 0.11 -0.19 -0.32 0.00 0.00 0.00 175.10 174.94 2dka s MET 62 N 0.77 2.61 -0.44 2.72 0.00 -0.62 -1.96 119.30 122.38 2dka s MET 62 Ca -0.07 -0.72 -0.17 0.00 0.00 0.00 0.00 55.69 54.73 2dka s MET 62 Cb -0.11 -2.08 0.04 0.00 0.00 0.00 0.00 34.83 32.68 2dka s MET 62 CO -0.02 0.04 0.46 0.42 0.00 0.00 0.00 175.02 175.93 2dka s ILE 63 N 0.68 5.07 -0.24 10.11 -1.09 -0.58 -2.04 121.20 133.11 2dka s ILE 63 Ca -0.12 -0.48 -0.37 0.00 -2.23 0.00 0.00 60.65 57.45 2dka s ILE 63 Cb -0.16 -4.10 0.15 0.00 -1.58 0.00 0.00 42.46 36.77 2dka s ILE 63 CO 0.03 -0.51 1.29 0.28 -1.23 0.00 0.00 174.94 174.80 2dka s THR 64 N 2.14 0.00 0.00 2.92 -1.32 -0.23 -1.58 115.64 117.57 2dka s THR 64 Ca 0.11 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 2dka s THR 64 Cb -0.18 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 2dka s THR 64 CO 0.12 0.00 0.96 0.00 -2.21 0.00 0.00 174.62 173.49 2dka n ALA 65 N -0.05 1.92 0.00 11.08 0.00 -1.26 -2.61 120.51 129.58 2dka n ALA 65 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2dka n ALA 65 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2dka n ALA 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dka n SER 66 N -0.46 0.00 0.00 0.00 2.88 -1.26 -4.92 113.62 109.86 2dka n SER 66 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2dka n SER 66 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2dka n SER 66 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2dka n ASN 68 N 0.00 0.00 -4.76 -3.46 4.13 -1.26 -3.62 115.26 106.29 2dka n ASN 68 Ca 0.00 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.89 2dka n ASN 68 Cb 0.00 0.14 0.02 0.00 -1.54 0.00 0.00 39.78 38.40 2dka n ASN 68 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dka s PRO 69 N -3.35 3.35 0.56 3.52 0.04 -1.26 -4.90 135.00 132.97 2dka s PRO 69 Ca 0.00 1.94 0.28 0.00 0.04 0.00 0.00 61.00 63.26 2dka s PRO 69 Cb 0.00 -2.23 1.48 0.00 0.04 0.00 0.00 34.50 33.79 2dka s PRO 69 CO 0.00 -0.94 1.94 -1.00 0.04 0.00 0.00 177.00 177.05 2dka h PRO 70 N 1.55 0.00 0.00 0.56 0.13 -1.84 -1.27 132.00 131.12 2dka h PRO 70 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2dka h PRO 70 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2dka h PRO 70 CO 0.58 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.50 2dka n GLU 71 N -4.00 0.03 -3.46 0.86 0.00 -1.26 -4.65 120.64 108.17 2dka n GLU 71 Ca 0.10 0.19 -0.20 0.00 0.00 0.00 0.00 57.16 57.25 2dka n GLU 71 Cb 0.67 -1.55 -0.02 0.00 0.00 0.00 0.00 31.44 30.54 2dka n GLU 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2dka s ASP 72 N -3.18 5.37 0.31 -1.84 1.01 -0.48 -1.40 116.67 116.46 2dka s ASP 72 Ca 0.09 -0.54 -0.15 0.00 0.71 0.00 0.00 52.55 52.66 2dka s ASP 72 Cb 0.12 -0.76 0.06 0.00 1.01 0.00 0.00 42.92 43.35 2dka s ASP 72 CO 0.37 -0.59 0.77 -3.20 0.21 0.00 0.00 175.17 172.73 2dka n ASN 73 N -1.60 -1.97 -3.10 0.27 2.85 -0.76 -4.64 115.26 106.32 2dka n ASN 73 Ca 0.03 -2.30 -0.03 0.00 -0.11 0.00 0.00 54.58 52.17 2dka n ASN 73 Cb 0.60 3.26 0.02 0.00 1.24 0.00 0.00 39.78 44.90 2dka n ASN 73 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dka n GLY 74 N -0.53 0.69 3.30 8.20 0.00 -1.07 -2.36 105.19 113.42 2dka n GLY 74 Ca -0.07 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 2dka n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dka s VAL 75 N -2.10 -0.02 0.05 1.61 0.11 -0.54 -1.07 120.40 118.45 2dka s VAL 75 Ca 0.21 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.35 2dka s VAL 75 Cb -0.03 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2dka s VAL 75 CO 0.06 0.02 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.20 2dka s LYS 76 N 1.02 0.68 -0.07 1.54 1.02 -0.87 -1.87 119.74 121.19 2dka s LYS 76 Ca -0.06 -0.81 -0.04 0.00 0.02 0.00 0.00 55.97 55.07 2dka s LYS 76 Cb -0.07 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.63 2dka s LYS 76 CO -0.09 0.12 0.13 0.08 -0.92 0.00 0.00 175.35 174.67 2dka s VAL 77 N -1.23 5.25 -0.17 3.17 1.01 -1.26 -1.59 120.40 125.57 2dka s VAL 77 Ca -0.05 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2dka s VAL 77 Cb -0.09 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.96 2dka s VAL 77 CO 0.01 0.51 -0.18 -0.69 0.00 0.00 0.00 175.10 174.75 2dka s VAL 78 N -1.11 2.25 0.87 2.92 1.01 0.97 -1.97 120.40 125.34 2dka s VAL 78 Ca 0.19 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 2dka s VAL 78 Cb -0.12 -1.94 0.11 0.00 0.00 0.00 0.00 36.38 34.43 2dka s VAL 78 CO 0.09 0.53 1.09 -1.81 0.00 0.00 0.00 175.10 175.00 2dka s ASP 79 N 1.17 3.73 0.35 3.32 1.01 0.55 -0.85 116.67 125.95 2dka s ASP 79 Ca 0.02 1.54 0.17 0.00 0.71 0.00 0.00 52.55 54.99 2dka s ASP 79 Cb -0.14 -2.23 1.20 0.00 1.01 0.00 0.00 42.92 42.76 2dka s ASP 79 CO -0.09 -2.48 1.62 -0.65 0.21 0.00 0.00 175.17 173.78 2dka h PRO 80 N -1.44 0.14 0.00 8.23 0.11 -1.86 0.11 132.00 137.28 2dka h PRO 80 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2dka h PRO 80 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2dka h PRO 80 CO 0.54 0.09 0.00 1.28 -0.21 0.00 0.00 178.00 179.70 2dka n LEU 81 N -5.18 0.00 0.00 2.35 4.32 -1.26 -3.88 117.00 113.35 2dka n LEU 81 Ca 0.34 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.67 2dka n LEU 81 Cb 1.13 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 42.59 2dka n LEU 81 CO 0.04 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 176.80 2dka n GLY 82 N 1.12 0.81 3.98 -0.72 0.00 0.39 -4.72 105.19 106.04 2dka n GLY 82 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2dka n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dka s SER 83 N -2.32 5.75 0.90 1.61 1.04 -1.25 -4.79 113.70 114.64 2dka s SER 83 Ca 0.00 -0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.21 2dka s SER 83 Cb 0.00 -1.10 0.14 0.00 0.10 0.00 0.00 66.02 65.16 2dka s SER 83 CO 0.00 -0.69 1.15 0.00 0.98 0.00 0.00 173.24 174.68 2dka s MET 84 N -4.40 1.13 0.31 4.02 0.23 -1.26 -0.33 119.30 118.99 2dka s MET 84 Ca 0.50 1.57 -0.29 0.00 -1.03 0.00 0.00 55.69 56.45 2dka s MET 84 Cb -0.10 -1.74 -0.13 0.00 -1.53 0.00 0.00 34.83 31.33 2dka s MET 84 CO 0.34 -2.56 1.22 -0.11 -2.03 0.00 0.00 175.02 171.88 2dka n LEU 85 N -4.09 2.90 -4.62 0.18 7.94 -0.83 -4.22 117.00 114.25 2dka n LEU 85 Ca 0.12 1.19 -0.48 0.00 -1.11 0.00 0.00 56.01 55.73 2dka n LEU 85 Cb 0.52 -1.41 -0.04 0.00 0.53 0.00 0.00 43.42 43.02 2dka n LEU 85 CO 0.49 -0.78 0.92 1.21 -1.11 0.00 0.00 177.39 178.12 2dka n GLU 86 N 0.86 1.52 -0.29 1.96 2.13 -1.26 -4.85 120.64 120.72 2dka n GLU 86 Ca 0.07 0.55 0.11 0.00 0.66 0.00 0.00 57.16 58.55 2dka n GLU 86 Cb 0.34 -2.17 0.26 0.00 0.27 0.00 0.00 31.44 30.14 2dka n GLU 86 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2dka h SER 87 N 4.33 0.04 0.03 4.31 0.02 -2.03 0.25 113.55 120.51 2dka h SER 87 Ca -0.45 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2dka h SER 87 Cb 1.31 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 64.08 2dka h SER 87 CO 0.77 -0.10 -0.00 0.77 -1.14 0.00 0.00 176.83 177.12 2dka h SER 88 N 0.25 0.00 0.36 3.07 4.64 -2.02 -1.83 113.55 118.02 2dka h SER 88 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2dka h SER 88 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2dka h SER 88 CO -0.60 0.00 -0.34 0.79 -0.87 0.00 0.00 176.83 175.82 2dka n TRP 89 N -3.35 0.00 -0.25 4.77 7.02 0.08 -4.08 117.44 121.63 2dka n TRP 89 Ca -0.03 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.39 2dka n TRP 89 Cb 0.08 -0.18 0.05 0.00 -2.42 0.00 0.00 31.31 28.84 2dka n TRP 89 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2dka h GLU 90 N 0.69 1.02 0.00 -0.99 5.08 -1.36 -1.82 114.58 117.21 2dka h GLU 90 Ca 0.00 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2dka h GLU 90 Cb 0.49 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2dka h GLU 90 CO 0.00 0.83 -0.17 1.57 -1.00 0.00 0.00 179.01 180.24 2dka h LYS 91 N 0.98 0.00 -0.21 2.33 2.10 -1.75 -0.95 116.57 119.07 2dka h LYS 91 Ca 0.24 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.71 2dka h LYS 91 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2dka h LYS 91 CO -0.02 0.17 -0.55 1.88 -2.00 0.00 0.00 179.45 178.92 2dka h TYR 92 N 0.00 0.96 -0.51 0.07 0.99 -1.56 0.36 116.97 117.28 2dka h TYR 92 Ca -0.00 -0.37 -0.05 0.00 2.00 0.00 0.00 58.73 60.31 2dka h TYR 92 Cb 0.37 -0.17 -0.02 0.00 1.00 0.00 0.00 36.73 37.91 2dka h TYR 92 CO 0.00 1.18 0.13 0.00 -0.00 0.00 0.00 178.16 179.47 2dka h ALA 93 N 0.60 0.67 -0.81 3.88 0.00 -0.96 -2.19 119.26 120.45 2dka h ALA 93 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2dka h ALA 93 Cb 1.17 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2dka h ALA 93 CO 0.12 0.36 0.54 1.15 0.00 0.00 0.00 179.25 181.41 2dka h THR 94 N 0.70 1.20 -0.55 0.00 2.02 -1.05 -1.92 112.91 113.31 2dka h THR 94 Ca 0.16 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2dka h THR 94 Cb 0.32 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 2dka h THR 94 CO -0.00 0.20 0.34 0.44 0.37 0.00 0.00 175.52 176.86 2dka h ASP 95 N 1.09 0.66 -0.39 4.18 3.32 -0.32 -2.20 116.42 122.75 2dka h ASP 95 Ca 0.30 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 2dka h ASP 95 Cb -0.11 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2dka h ASP 95 CO -0.07 0.52 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.88 2dka h LEU 96 N 0.74 0.70 -1.79 1.55 3.38 -0.93 -2.17 115.31 116.79 2dka h LEU 96 Ca 0.20 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2dka h LEU 96 Cb -0.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2dka h LEU 96 CO -0.04 0.85 -0.13 0.00 0.09 0.00 0.00 178.44 179.21 2dka h ALA 97 N 0.87 1.67 -0.01 1.53 0.00 -1.23 -2.29 119.26 119.81 2dka h ALA 97 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dka h ALA 97 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2dka h ALA 97 CO 0.02 0.17 -0.39 0.09 0.00 0.00 0.00 179.25 179.14 2dka n ASN 98 N -4.23 1.23 -4.77 0.00 5.03 -0.84 -4.82 115.26 106.86 2dka n ASN 98 Ca -0.02 -0.99 -0.29 0.00 0.87 0.00 0.00 54.58 54.14 2dka n ASN 98 Cb 0.21 0.30 0.13 0.00 -1.02 0.00 0.00 39.78 39.39 2dka n ASN 98 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dka s ALA 99 N -2.58 1.77 -0.20 5.41 0.00 -0.83 -5.04 121.76 120.29 2dka s ALA 99 Ca 0.20 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 2dka s ALA 99 Cb 0.19 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 2dka s ALA 99 CO 0.58 -2.21 -0.04 -1.12 0.00 0.00 0.00 175.76 172.97 2dka s SER 100 N -3.85 4.50 0.42 0.00 0.01 -0.27 -4.78 113.70 109.73 2dka s SER 100 Ca 0.63 -0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.67 2dka s SER 100 Cb -0.16 -1.76 0.90 0.00 0.21 0.00 0.00 66.02 65.22 2dka s SER 100 CO 0.55 0.04 2.07 1.55 0.41 0.00 0.00 173.24 177.86 2dka h PRO 101 N 7.63 0.49 -4.73 12.44 0.13 -1.94 0.81 132.00 146.83 2dka h PRO 101 Ca -0.37 -0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 64.46 2dka h PRO 101 Cb 1.18 -0.11 -0.18 0.00 0.13 0.00 0.00 31.00 32.01 2dka h PRO 101 CO 0.60 0.32 -0.72 -1.12 -0.23 0.00 0.00 178.00 176.85 2dka s SER 102 N -6.72 1.14 0.56 1.44 0.01 -1.26 -4.65 113.70 104.21 2dka s SER 102 Ca -0.08 -0.77 -0.21 0.00 1.31 0.00 0.00 55.95 56.20 2dka s SER 102 Cb 0.17 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 2dka s SER 102 CO 0.72 -0.30 1.30 -2.16 0.41 0.00 0.00 173.24 173.22 2dka s PRO 103 N -2.65 3.07 0.00 12.44 0.04 -1.26 -5.02 135.00 141.62 2dka s PRO 103 Ca 0.02 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2dka s PRO 103 Cb -0.03 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2dka s PRO 103 CO -0.01 -1.20 0.00 0.39 0.04 0.00 0.00 177.00 176.21 2dka n GLU 110 N -1.22 0.00 -0.02 4.56 4.71 -1.26 -5.22 120.64 122.19 2dka n GLU 110 Ca 0.12 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.34 2dka n GLU 110 Cb 0.47 0.00 0.40 0.00 -1.01 0.00 0.00 31.44 31.30 2dka n GLU 110 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2dka n LYS 111 N -0.03 1.12 -0.60 3.49 4.01 -1.26 -3.40 118.16 121.48 2dka n LYS 111 Ca 0.00 -0.18 0.06 0.00 -0.51 0.00 0.00 58.31 57.69 2dka n LYS 111 Cb 0.00 -1.24 0.29 0.00 -0.51 0.00 0.00 35.03 33.57 2dka n LYS 111 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2dka n ASN 112 N -0.55 4.25 -4.77 4.39 5.15 -1.26 -4.56 115.26 117.91 2dka n ASN 112 Ca 0.11 -3.07 -0.39 0.00 -0.60 0.00 0.00 54.58 50.64 2dka n ASN 112 Cb 0.09 -0.60 -0.05 0.00 -0.53 0.00 0.00 39.78 38.69 2dka n ASN 112 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2dka s SER 113 N -1.68 7.29 0.21 1.20 0.01 -1.22 -1.11 113.70 118.39 2dka s SER 113 Ca 0.46 2.04 -0.15 0.00 1.31 0.00 0.00 55.95 59.61 2dka s SER 113 Cb 0.37 -2.60 0.22 0.00 0.21 0.00 0.00 66.02 64.22 2dka s SER 113 CO 0.10 -0.11 1.61 0.25 0.41 0.00 0.00 173.24 175.50 2dka h LEU 114 N 3.51 -0.79 -1.69 2.44 5.85 -1.09 0.15 115.31 123.69 2dka h LEU 114 Ca -0.47 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2dka h LEU 114 Cb 1.20 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 2dka h LEU 114 CO 0.66 -0.25 0.12 1.62 -0.34 0.00 0.00 178.44 180.25 2dka h VAL 115 N -0.05 1.08 0.01 1.05 3.04 -1.89 -0.89 116.25 118.60 2dka h VAL 115 Ca 0.30 -0.23 -0.21 0.00 -1.01 0.00 0.00 66.70 65.55 2dka h VAL 115 Cb 0.51 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 2dka h VAL 115 CO -0.69 0.09 -0.93 -0.33 -1.01 0.00 0.00 177.57 174.71 2dka h GLU 116 N 0.33 0.23 -0.16 4.17 4.39 -1.14 -2.15 114.58 120.25 2dka h GLU 116 Ca 0.09 -0.27 -0.14 0.00 0.34 0.00 0.00 59.36 59.38 2dka h GLU 116 Cb 0.03 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2dka h GLU 116 CO -0.01 1.01 -0.51 0.28 -1.16 0.00 0.00 179.01 178.61 2dka h VAL 117 N 0.12 1.33 -0.14 3.13 2.07 -0.32 -1.94 116.25 120.50 2dka h VAL 117 Ca -0.06 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 2dka h VAL 117 Cb 1.57 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2dka h VAL 117 CO 0.15 0.53 -0.07 0.40 0.02 0.00 0.00 177.57 178.60 2dka h ILE 118 N 0.34 1.32 -0.36 4.57 2.04 -1.16 -1.90 117.51 122.36 2dka h ILE 118 Ca 0.01 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 2dka h ILE 118 Cb 1.01 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 2dka h ILE 118 CO 0.09 0.33 0.13 0.11 0.00 0.00 0.00 178.15 178.80 2dka h LYS 119 N -0.03 0.50 -0.46 2.37 1.57 -1.35 -0.94 116.57 118.23 2dka h LYS 119 Ca 0.03 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2dka h LYS 119 Cb 0.54 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2dka h LYS 119 CO 0.02 0.43 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.38 2dka h ASN 120 N 0.50 0.85 -0.41 0.86 -0.26 -1.20 -1.31 115.58 114.61 2dka h ASN 120 Ca 0.12 -0.33 -0.05 0.00 -0.56 0.00 0.00 56.30 55.48 2dka h ASN 120 Cb 0.13 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 2dka h ASN 120 CO -0.01 0.98 0.05 -0.07 -1.06 0.00 0.00 177.43 177.32 2dka h LEU 121 N 0.70 0.66 -0.89 1.61 3.38 -0.78 0.48 115.31 120.47 2dka h LEU 121 Ca 0.13 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2dka h LEU 121 Cb 0.57 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2dka h LEU 121 CO 0.03 0.77 0.55 0.58 0.09 0.00 0.00 178.44 180.46 2dka h VAL 122 N 0.53 1.24 0.10 1.22 2.07 -1.06 0.11 116.25 120.46 2dka h VAL 122 Ca 0.12 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2dka h VAL 122 Cb 0.40 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2dka h VAL 122 CO 0.01 0.25 -0.05 -1.28 0.02 0.00 0.00 177.57 176.52 2dka h SER 123 N 1.22 -0.11 -0.46 0.57 0.87 -1.09 -0.40 113.55 114.15 2dka h SER 123 Ca 0.32 -0.46 0.03 0.00 -1.23 0.00 0.00 61.79 60.45 2dka h SER 123 Cb -0.07 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 2dka h SER 123 CO -0.06 0.46 0.24 0.44 -0.53 0.00 0.00 176.83 177.38 2dka h ASP 124 N -0.76 0.36 -0.08 6.23 5.19 -0.82 -2.55 116.42 124.00 2dka h ASP 124 Ca -0.01 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2dka h ASP 124 Cb 0.56 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2dka h ASP 124 CO 0.02 0.26 0.00 0.18 -3.12 0.00 0.00 179.24 176.58 2dka n LEU 125 N -4.88 1.35 -3.75 1.55 4.77 0.37 -4.94 117.00 111.47 2dka n LEU 125 Ca 0.03 -0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 55.25 2dka n LEU 125 Cb 0.10 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2dka n LEU 125 CO 0.30 0.26 -0.11 0.29 -1.33 0.00 0.00 177.39 176.80 2dka n LYS 126 N 0.08 -3.61 -3.04 3.23 4.76 -0.81 -4.93 118.16 113.85 2dka n LYS 126 Ca 0.18 0.54 -0.40 0.00 -2.87 0.00 0.00 58.31 55.75 2dka n LYS 126 Cb 0.30 -4.81 -0.05 0.00 -1.84 0.00 0.00 35.03 28.63 2dka n LYS 126 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2dka s ILE 127 N -3.71 5.01 -0.60 -0.18 1.01 -0.22 -4.99 121.20 117.52 2dka s ILE 127 Ca 0.11 1.41 -0.21 0.00 0.00 0.00 0.00 60.65 61.96 2dka s ILE 127 Cb -0.04 -4.03 0.08 0.00 0.01 0.00 0.00 42.46 38.48 2dka s ILE 127 CO 0.84 0.18 0.82 -0.62 0.00 0.00 0.00 174.94 176.16 2dka s ASP 128 N 0.96 6.20 0.57 3.58 3.68 -1.26 -4.85 116.67 125.55 2dka s ASP 128 Ca 0.35 -1.06 0.38 0.00 2.13 0.00 0.00 52.55 54.35 2dka s ASP 128 Cb -0.17 -2.36 2.05 0.00 -1.45 0.00 0.00 42.92 40.99 2dka s ASP 128 CO 0.15 -1.23 2.16 -0.07 0.13 0.00 0.00 175.17 176.32 2dka h LEU 129 N 10.60 0.00 -0.19 -1.34 3.38 -1.95 -1.72 115.31 124.10 2dka h LEU 129 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2dka h LEU 129 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2dka h LEU 129 CO 1.11 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.41 2dka h SER 130 N 0.00 0.00 -3.11 -0.43 4.64 -1.91 -3.43 113.55 109.32 2dka h SER 130 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2dka h SER 130 Cb 0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 2dka h SER 130 CO 0.00 0.00 0.70 -0.63 -0.87 0.00 0.00 176.83 176.03 2dka s ILE 131 N -3.19 4.42 0.16 0.95 1.01 -0.65 -4.96 121.20 118.94 2dka s ILE 131 Ca 0.08 1.72 -0.31 0.00 0.00 0.00 0.00 60.65 62.14 2dka s ILE 131 Cb 0.10 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.35 2dka s ILE 131 CO 0.58 -0.03 1.74 -2.84 0.00 0.00 0.00 174.94 174.40 2dka s PRO 132 N 2.39 4.14 0.28 2.79 0.02 -1.26 -4.81 135.00 138.56 2dka s PRO 132 Ca 0.53 2.56 -0.19 0.00 0.02 0.00 0.00 61.00 63.92 2dka s PRO 132 Cb -0.22 -3.31 -0.09 0.00 0.02 0.00 0.00 34.50 30.90 2dka s PRO 132 CO 0.19 -0.77 0.78 0.00 -0.33 0.00 0.00 177.00 176.87 2dka s ALA 133 N 1.86 3.32 -0.15 -1.55 0.00 -0.00 -4.35 121.76 120.90 2dka s ALA 133 Ca 0.77 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 2dka s ALA 133 Cb -0.47 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 19.80 2dka s ALA 133 CO 0.34 0.29 -0.04 -0.80 0.00 0.00 0.00 175.76 175.55 2dka s ASN 134 N -1.88 2.53 0.09 0.00 0.01 -1.26 -0.53 114.94 113.91 2dka s ASN 134 Ca 0.49 -0.53 0.03 0.00 -0.71 0.00 0.00 52.86 52.14 2dka s ASN 134 Cb -0.14 -0.79 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 2dka s ASN 134 CO 0.20 -0.19 -0.08 0.68 -1.51 0.00 0.00 177.10 176.19 2dka s VAL 135 N 1.73 0.77 0.05 1.60 -7.23 -0.45 -1.57 120.40 115.30 2dka s VAL 135 Ca 0.02 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 2dka s VAL 135 Cb -0.15 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 2dka s VAL 135 CO -0.07 -0.65 -0.09 0.68 -0.31 0.00 0.00 175.10 174.65 2dka s VAL 136 N -2.72 0.66 0.03 1.32 -7.23 -0.40 -1.23 120.40 110.82 2dka s VAL 136 Ca 0.05 -1.19 -0.04 0.00 -1.81 0.00 0.00 61.98 59.00 2dka s VAL 136 Cb -0.01 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 2dka s VAL 136 CO -0.02 -0.39 0.06 -0.51 -0.31 0.00 0.00 175.10 173.93 2dka s ILE 137 N -1.53 0.12 0.24 -0.62 2.07 -0.43 -0.81 121.20 120.24 2dka s ILE 137 Ca -0.07 -1.01 -0.12 0.00 -1.41 0.00 0.00 60.65 58.04 2dka s ILE 137 Cb -0.09 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.84 2dka s ILE 137 CO 0.00 -0.55 0.45 0.00 -1.91 0.00 0.00 174.94 172.93 2dka s ALA 138 N -2.10 -0.18 0.12 1.50 0.00 -0.83 -0.76 121.76 119.51 2dka s ALA 138 Ca -0.09 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 2dka s ALA 138 Cb -0.04 1.07 0.01 0.00 0.00 0.00 0.00 23.12 24.15 2dka s ALA 138 CO -0.03 -0.83 0.29 -0.98 0.00 0.00 0.00 175.76 174.22 2dka s ARG 139 N -4.02 1.00 0.00 0.00 1.70 -0.47 -1.53 118.95 115.63 2dka s ARG 139 Ca 0.22 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 2dka s ARG 139 Cb -0.00 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 2dka s ARG 139 CO 0.08 -0.36 0.00 -0.40 -1.08 0.00 0.00 175.30 173.54 2dka n ASP 140 N -0.15 0.00 -0.30 -2.89 5.68 -0.62 -1.37 116.55 116.89 2dka n ASP 140 Ca -0.14 -0.79 0.09 0.00 -0.50 0.00 0.00 54.79 53.45 2dka n ASP 140 Cb 0.63 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 41.01 2dka n ASP 140 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2dka n SER 141 N -2.38 0.90 -4.64 -1.12 3.41 -1.26 -4.79 113.62 103.74 2dka n SER 141 Ca 0.00 -1.63 -0.36 0.00 -0.26 0.00 0.00 58.87 56.61 2dka n SER 141 Cb 0.00 -0.07 0.07 0.00 -0.26 0.00 0.00 64.21 63.96 2dka n SER 141 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dka n ARG 142 N -0.16 0.72 -0.06 4.33 1.74 -1.26 -4.69 116.66 117.28 2dka n ARG 142 Ca 0.14 0.30 0.05 0.00 -0.77 0.00 0.00 57.85 57.56 2dka n ARG 142 Cb 0.20 -2.27 0.40 0.00 -1.02 0.00 0.00 32.46 29.76 2dka n ARG 142 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2dka h GLU 143 N 0.09 0.61 -0.00 5.56 4.22 -1.92 -2.44 114.58 120.70 2dka h GLU 143 Ca -0.48 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.92 2dka h GLU 143 Cb 1.34 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2dka h GLU 143 CO 0.49 0.41 -0.30 -1.13 -2.18 0.00 0.00 179.01 176.30 2dka n SER 144 N -4.47 0.71 -0.10 1.04 3.41 -1.26 -4.42 113.62 108.53 2dka n SER 144 Ca 0.05 -0.55 -0.08 0.00 -0.26 0.00 0.00 58.87 58.04 2dka n SER 144 Cb 0.10 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2dka n SER 144 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dka h SER 145 N 0.63 0.31 -0.52 4.04 0.02 -1.74 -1.81 113.55 114.49 2dka h SER 145 Ca 0.00 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.03 2dka h SER 145 Cb 0.48 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 2dka h SER 145 CO 0.00 0.23 0.20 -0.65 -1.14 0.00 0.00 176.83 175.47 2dka h PRO 146 N 0.40 0.37 -0.39 3.45 0.11 -1.77 0.26 132.00 134.44 2dka h PRO 146 Ca 0.14 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 2dka h PRO 146 Cb 0.02 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 2dka h PRO 146 CO -0.07 0.25 -0.24 0.00 -0.21 0.00 0.00 178.00 177.73 2dka h ALA 147 N 1.34 0.55 -0.16 -0.75 0.00 -1.83 -2.34 119.26 116.07 2dka h ALA 147 Ca 0.25 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2dka h ALA 147 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2dka h ALA 147 CO -0.24 0.54 -0.24 -0.07 0.00 0.00 0.00 179.25 179.24 2dka h LEU 148 N 0.65 0.28 -0.32 0.00 3.38 -1.07 -1.05 115.31 117.18 2dka h LEU 148 Ca 0.08 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2dka h LEU 148 Cb 0.80 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2dka h LEU 148 CO 0.07 0.52 0.02 -1.28 0.09 0.00 0.00 178.44 177.86 2dka h SER 149 N 0.26 0.54 -0.77 -0.43 0.87 -0.80 -1.05 113.55 112.18 2dka h SER 149 Ca 0.04 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 2dka h SER 149 Cb 0.56 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 2dka h SER 149 CO 0.04 0.70 0.40 0.24 -0.53 0.00 0.00 176.83 177.68 2dka h MET 150 N 0.37 1.10 -0.70 2.24 2.86 -1.04 -0.17 114.93 119.58 2dka h MET 150 Ca 0.09 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 2dka h MET 150 Cb 0.41 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 2dka h MET 150 CO 0.01 0.82 0.19 0.00 1.06 0.00 0.00 176.91 178.99 2dka h ALA 151 N 1.34 1.00 -0.55 6.32 0.00 -0.95 -1.19 119.26 125.24 2dka h ALA 151 Ca 0.27 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2dka h ALA 151 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2dka h ALA 151 CO -0.04 0.65 0.01 1.15 0.00 0.00 0.00 179.25 181.03 2dka h THR 152 N 1.05 1.26 -0.20 0.00 2.02 -0.47 -2.40 112.91 114.17 2dka h THR 152 Ca 0.22 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2dka h THR 152 Cb 0.34 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2dka h THR 152 CO -0.00 0.39 -0.03 0.40 0.37 0.00 0.00 175.52 176.64 2dka h ILE 153 N 0.84 1.15 -0.52 3.11 2.04 -0.70 -0.09 117.51 123.34 2dka h ILE 153 Ca 0.16 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 2dka h ILE 153 Cb 0.52 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2dka h ILE 153 CO 0.03 0.20 0.13 0.44 0.00 0.00 0.00 178.15 178.94 2dka h ASP 154 N 0.30 0.74 -0.38 1.72 3.32 -0.74 -1.77 116.42 119.60 2dka h ASP 154 Ca 0.07 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 2dka h ASP 154 Cb 0.26 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2dka h ASP 154 CO 0.01 0.73 0.09 1.23 -1.72 0.00 0.00 179.24 179.58 2dka h GLY 155 N 0.95 0.66 0.22 2.75 0.00 -0.68 -1.30 103.07 105.67 2dka h GLY 155 Ca 0.17 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.14 2dka h GLY 155 CO -0.00 0.39 -0.24 0.74 0.00 0.00 0.00 176.54 177.42 2dka h PHE 156 N 0.47 -0.65 0.00 5.60 0.05 -0.72 -1.35 116.94 120.34 2dka h PHE 156 Ca 0.12 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.94 2dka h PHE 156 Cb 0.31 0.31 0.00 0.00 2.00 0.00 0.00 35.95 38.57 2dka h PHE 156 CO 0.02 -0.32 0.00 1.04 -0.18 0.00 0.00 178.31 178.87 2dka n GLN 157 N -5.37 0.02 0.00 1.51 6.02 -0.71 -2.39 117.38 116.45 2dka n GLN 157 Ca -0.02 0.27 0.14 0.00 -0.01 0.00 0.00 57.00 57.38 2dka n GLN 157 Cb 0.29 -1.54 0.67 0.00 1.02 0.00 0.00 30.24 30.68 2dka n GLN 157 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2dka n SER 158 N -1.59 0.00 -4.40 1.08 7.64 -0.51 -4.68 113.62 111.17 2dka n SER 158 Ca 0.03 0.26 -0.35 0.00 1.01 0.00 0.00 58.87 59.82 2dka n SER 158 Cb 0.18 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 62.83 2dka n SER 158 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2dka s VAL 159 N -2.84 3.76 0.34 0.44 1.01 -1.01 -3.24 120.40 118.87 2dka s VAL 159 Ca 0.20 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 2dka s VAL 159 Cb 0.19 -2.70 -0.13 0.00 0.00 0.00 0.00 36.38 33.74 2dka s VAL 159 CO 0.50 0.43 0.83 -2.65 0.00 0.00 0.00 175.10 174.21 2dka n PRO 160 N 4.39 0.98 -3.45 2.72 -0.02 -1.26 -3.63 135.00 134.74 2dka n PRO 160 Ca -0.17 0.35 -0.19 0.00 -2.02 0.00 0.00 63.50 61.47 2dka n PRO 160 Cb 0.52 -1.69 0.03 0.00 -0.02 0.00 0.00 33.50 32.33 2dka n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2dka n ASN 161 N 1.19 -6.19 -4.01 2.55 3.02 -1.26 -4.78 115.26 105.77 2dka n ASN 161 Ca 0.11 -0.69 -0.27 0.00 -0.03 0.00 0.00 54.58 53.71 2dka n ASN 161 Cb 0.35 -3.94 -0.17 0.00 -0.61 0.00 0.00 39.78 35.40 2dka n ASN 161 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dka s THR 162 N -3.24 1.25 -0.15 3.41 2.01 -1.24 -0.82 115.64 116.87 2dka s THR 162 Ca 0.26 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 2dka s THR 162 Cb -0.08 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 2dka s THR 162 CO 0.82 0.39 -0.06 -0.75 -0.69 0.00 0.00 174.62 174.33 2dka s LYS 163 N 0.99 3.59 0.17 4.92 2.20 0.31 -4.89 119.74 127.02 2dka s LYS 163 Ca -0.08 -0.55 0.06 0.00 -0.36 0.00 0.00 55.97 55.04 2dka s LYS 163 Cb -0.15 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2dka s LYS 163 CO -0.01 0.25 -0.13 1.52 -0.36 0.00 0.00 175.35 176.63 2dka s TYR 164 N 0.31 1.51 0.02 4.03 1.13 -1.26 -1.34 117.35 121.76 2dka s TYR 164 Ca -0.05 -0.63 0.05 0.00 -1.41 0.00 0.00 57.07 55.02 2dka s TYR 164 Cb -0.14 -0.74 -0.02 0.00 -1.10 0.00 0.00 41.96 39.96 2dka s TYR 164 CO 0.04 0.23 -0.14 -1.14 -2.51 0.00 0.00 175.55 172.03 2dka s GLN 165 N -3.50 0.99 -0.24 -3.49 2.00 -0.37 -4.96 119.66 110.10 2dka s GLN 165 Ca 0.18 -0.64 0.01 0.00 -2.00 0.00 0.00 55.36 52.91 2dka s GLN 165 Cb -0.00 -0.98 0.06 0.00 0.80 0.00 0.00 33.01 32.88 2dka s GLN 165 CO 0.04 0.25 -0.08 0.34 -0.50 0.00 0.00 175.29 175.34 2dka s ASP 166 N -0.81 3.96 0.00 6.67 2.15 -1.26 -1.32 116.67 126.06 2dka s ASP 166 Ca 0.03 -1.19 0.21 0.00 0.43 0.00 0.00 52.55 52.03 2dka s ASP 166 Cb -0.07 -1.31 0.82 0.00 -0.30 0.00 0.00 42.92 42.06 2dka s ASP 166 CO 0.01 -0.20 1.58 0.49 -0.17 0.00 0.00 175.17 176.88 2dka n PHE 167 N 4.59 0.17 -3.78 -5.34 3.01 0.06 -4.98 117.46 111.19 2dka n PHE 167 Ca -0.13 -0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.24 2dka n PHE 167 Cb 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 2dka n PHE 167 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dka n GLY 168 N 1.08 2.46 3.64 1.37 0.00 -1.26 -4.54 105.19 107.95 2dka n GLY 168 Ca 0.16 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2dka n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dka n LEU 169 N 0.00 3.83 -3.73 0.99 4.77 -1.26 -1.37 117.00 120.23 2dka n LEU 169 Ca 0.00 0.73 -0.12 0.00 -0.03 0.00 0.00 56.01 56.59 2dka n LEU 169 Cb 0.00 -1.51 -0.07 0.00 -2.33 0.00 0.00 43.42 39.51 2dka n LEU 169 CO 0.00 -0.06 0.06 -0.36 -1.33 0.00 0.00 177.39 175.70 2dka s PHE 170 N 5.42 -0.13 0.59 -1.77 2.99 -0.47 -4.90 117.98 119.70 2dka s PHE 170 Ca 0.93 -0.01 -0.08 0.00 0.00 0.00 0.00 56.93 57.77 2dka s PHE 170 Cb -0.45 0.13 -0.01 0.00 0.00 0.00 0.00 43.02 42.69 2dka s PHE 170 CO 0.42 -0.53 0.93 0.95 -0.00 0.00 0.00 175.22 176.98 2dka s THR 171 N -2.68 4.11 0.20 0.64 -4.23 -1.26 -4.27 115.64 108.15 2dka s THR 171 Ca -0.04 0.29 -0.10 0.00 -1.18 0.00 0.00 61.69 60.65 2dka s THR 171 Cb -0.00 -3.63 0.14 0.00 1.34 0.00 0.00 72.50 70.35 2dka s THR 171 CO -0.04 -0.70 1.86 0.74 -0.54 0.00 0.00 174.62 175.93 2dka h THR 172 N -0.19 1.20 -0.25 3.99 2.02 -1.79 -2.12 112.91 115.77 2dka h THR 172 Ca -0.45 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 2dka h THR 172 Cb 1.23 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2dka h THR 172 CO 0.62 0.20 0.07 -0.65 0.37 0.00 0.00 175.52 176.13 2dka h PRO 173 N 1.00 0.34 -0.73 6.66 0.11 -1.83 -1.98 132.00 135.56 2dka h PRO 173 Ca 0.27 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.27 2dka h PRO 173 Cb -0.07 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 2dka h PRO 173 CO -0.05 0.31 0.20 0.93 -0.21 0.00 0.00 178.00 179.18 2dka h GLU 174 N 0.34 1.16 -0.70 1.05 5.08 -1.76 -0.21 114.58 119.54 2dka h GLU 174 Ca 0.09 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 2dka h GLU 174 Cb 0.12 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2dka h GLU 174 CO -0.01 1.00 0.15 1.25 -1.00 0.00 0.00 179.01 180.40 2dka h LEU 175 N 1.10 1.08 -1.14 1.33 7.12 -1.07 -1.41 115.31 122.32 2dka h LEU 175 Ca 0.23 -0.24 -0.08 0.00 0.13 0.00 0.00 57.88 57.92 2dka h LEU 175 Cb 0.35 -0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.18 2dka h LEU 175 CO -0.00 1.05 -0.28 0.45 -0.13 0.00 0.00 178.44 179.53 2dka h HIS 176 N 1.07 0.28 -0.12 1.25 3.86 -1.06 -2.23 115.15 118.20 2dka h HIS 176 Ca 0.22 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2dka h HIS 176 Cb 0.40 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 2dka h HIS 176 CO 0.03 0.51 -0.01 -0.92 0.86 0.00 0.00 177.93 178.40 2dka h TYR 177 N 0.22 0.24 -0.18 2.45 3.20 -0.26 -1.76 116.97 120.88 2dka h TYR 177 Ca 0.03 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 2dka h TYR 177 Cb 0.61 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2dka h TYR 177 CO 0.01 0.48 -0.40 -0.39 -1.64 0.00 0.00 178.16 176.22 2dka h VAL 178 N -0.07 1.31 0.16 1.81 -1.51 -1.23 -0.21 116.25 116.50 2dka h VAL 178 Ca 0.03 -1.54 -0.01 0.00 -1.23 0.00 0.00 66.70 63.95 2dka h VAL 178 Cb 0.40 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2dka h VAL 178 CO 0.01 0.47 -0.08 0.74 -1.23 0.00 0.00 177.57 177.49 2dka h THR 179 N 0.34 0.88 -0.03 7.19 2.02 -1.36 -0.37 112.91 121.58 2dka h THR 179 Ca 0.03 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 2dka h THR 179 Cb 0.86 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2dka h THR 179 CO 0.07 0.04 0.02 -0.09 0.37 0.00 0.00 175.52 175.93 2dka h ARG 180 N -0.30 0.04 0.00 6.66 2.43 -1.19 -3.06 114.38 118.95 2dka h ARG 180 Ca -0.02 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2dka h ARG 180 Cb 0.24 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2dka h ARG 180 CO 0.04 0.07 -0.23 1.79 -1.51 0.00 0.00 179.97 180.12 2dka h THR 181 N -0.01 0.75 0.00 0.20 1.35 -0.98 0.29 112.91 114.52 2dka h THR 181 Ca 0.01 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 2dka h THR 181 Cb 0.04 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2dka h THR 181 CO -0.00 0.23 0.00 -0.07 -0.25 0.00 0.00 175.52 175.43 2dka h LEU 182 N 0.00 0.00 0.00 3.87 3.38 -0.96 -3.04 115.31 118.56 2dka h LEU 182 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2dka h LEU 182 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2dka h LEU 182 CO 0.03 0.00 -1.85 0.59 0.09 0.00 0.00 178.44 177.30 2dka n ASN 183 N -3.08 1.28 -3.49 -0.43 3.02 -0.74 -4.81 115.26 107.01 2dka n ASN 183 Ca 0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.28 2dka n ASN 183 Cb 0.31 1.43 -0.11 0.00 -0.61 0.00 0.00 39.78 40.80 2dka n ASN 183 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dka s ASP 184 N -4.23 2.42 0.59 6.41 2.15 0.95 -5.01 116.67 119.95 2dka s ASP 184 Ca -0.06 -2.79 0.28 0.00 0.43 0.00 0.00 52.55 50.41 2dka s ASP 184 Cb 0.08 -0.58 1.65 0.00 -0.30 0.00 0.00 42.92 43.77 2dka s ASP 184 CO 0.66 -0.22 2.11 1.55 -0.17 0.00 0.00 175.17 179.09 2dka h PRO 185 N 6.19 0.00 0.00 4.34 0.13 -1.79 -1.69 132.00 139.19 2dka h PRO 185 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2dka h PRO 185 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2dka h PRO 185 CO 0.37 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.70 2dka h ASP 186 N 0.00 0.00 1.92 1.44 3.32 -1.95 -2.27 116.42 118.89 2dka h ASP 186 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2dka h ASP 186 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2dka h ASP 186 CO -0.00 0.00 -0.07 0.15 -1.72 0.00 0.00 179.24 177.60 2dka h PHE 187 N 0.00 0.00 0.00 4.55 3.57 -1.66 -3.49 116.94 119.91 2dka h PHE 187 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2dka h PHE 187 Cb 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 2dka h PHE 187 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 2dka n GLY 188 N 1.11 2.15 3.69 2.40 0.00 -0.85 -5.02 105.19 108.67 2dka n GLY 188 Ca 0.04 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 2dka n GLY 188 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dka s LYS 189 N -1.97 4.43 0.00 1.61 2.20 -1.26 -4.60 119.74 120.15 2dka s LYS 189 Ca 0.00 1.43 -0.01 0.00 -0.36 0.00 0.00 55.97 57.04 2dka s LYS 189 Cb 0.00 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 2dka s LYS 189 CO 0.00 -0.29 1.34 -0.35 -0.36 0.00 0.00 175.35 175.68 2dka n PRO 190 N 4.86 0.66 -4.42 4.03 -0.04 -1.26 -4.20 135.00 134.63 2dka n PRO 190 Ca 0.09 -0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 63.18 2dka n PRO 190 Cb 0.49 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 2dka n PRO 190 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dka s THR 191 N 1.33 1.28 0.19 0.52 -4.23 -1.26 -4.95 115.64 108.51 2dka s THR 191 Ca 0.11 -2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 58.50 2dka s THR 191 Cb 0.05 -2.60 0.04 0.00 1.34 0.00 0.00 72.50 71.33 2dka s THR 191 CO 0.00 -0.15 1.61 -0.08 -0.54 0.00 0.00 174.62 175.46 2dka h GLU 192 N 2.24 0.98 -0.21 3.99 4.81 -1.99 -1.84 114.58 122.56 2dka h GLU 192 Ca -0.40 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 58.45 2dka h GLU 192 Cb 1.24 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2dka h GLU 192 CO 0.68 1.03 0.04 0.22 -0.73 0.00 0.00 179.01 180.25 2dka h ASP 193 N 0.87 0.27 -0.46 1.04 1.82 -1.96 -1.64 116.42 116.36 2dka h ASP 193 Ca 0.13 -0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.69 2dka h ASP 193 Cb 0.67 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 2dka h ASP 193 CO 0.05 0.29 0.07 1.23 -1.61 0.00 0.00 179.24 179.27 2dka h GLY 194 N 0.51 0.82 0.95 -0.78 0.00 -1.54 0.14 103.07 103.17 2dka h GLY 194 Ca 0.07 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 2dka h GLY 194 CO -0.00 0.51 -0.07 -1.82 0.00 0.00 0.00 176.54 175.16 2dka h TYR 195 N 0.63 -0.18 -0.29 5.60 3.20 -0.71 -1.35 116.97 123.87 2dka h TYR 195 Ca 0.14 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2dka h TYR 195 Cb 0.39 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2dka h TYR 195 CO 0.03 -0.11 0.16 1.88 -1.64 0.00 0.00 178.16 178.48 2dka h TYR 196 N -0.17 0.40 -0.84 -3.82 0.99 -1.23 -2.90 116.97 109.39 2dka h TYR 196 Ca -0.01 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.73 2dka h TYR 196 Cb 0.15 -0.13 -0.04 0.00 1.00 0.00 0.00 36.73 37.71 2dka h TYR 196 CO -0.09 0.32 0.56 0.77 -0.00 0.00 0.00 178.16 179.72 2dka h SER 197 N 0.35 0.95 -0.54 3.88 0.02 -0.57 0.74 113.55 118.39 2dka h SER 197 Ca 0.10 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2dka h SER 197 Cb 0.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2dka h SER 197 CO -0.02 0.68 -0.09 0.50 -1.14 0.00 0.00 176.83 176.77 2dka h LYS 198 N 1.12 1.03 -0.07 3.45 3.64 -1.15 0.07 116.57 124.67 2dka h LYS 198 Ca 0.31 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2dka h LYS 198 Cb -0.10 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2dka h LYS 198 CO -0.07 1.05 -0.05 -0.07 -2.27 0.00 0.00 179.45 178.05 2dka h LEU 199 N 0.92 0.15 -0.35 5.20 3.38 -1.24 -2.88 115.31 120.49 2dka h LEU 199 Ca 0.15 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2dka h LEU 199 Cb 0.65 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2dka h LEU 199 CO 0.05 0.57 0.17 0.00 0.09 0.00 0.00 178.44 179.31 2dka h ALA 200 N 0.59 0.45 -0.43 1.53 0.00 -0.80 -1.71 119.26 118.90 2dka h ALA 200 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2dka h ALA 200 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2dka h ALA 200 CO 0.01 0.02 0.18 -0.22 0.00 0.00 0.00 179.25 179.24 2dka h LYS 201 N 0.43 0.63 -0.43 0.00 1.63 -1.06 -0.77 116.57 116.99 2dka h LYS 201 Ca 0.12 -0.11 -0.11 0.00 -0.85 0.00 0.00 60.65 59.70 2dka h LYS 201 Cb 0.12 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 2dka h LYS 201 CO -0.02 0.57 -0.18 0.66 -3.45 0.00 0.00 179.45 177.04 2dka h SER 202 N 0.55 0.83 -0.44 4.20 4.64 -1.46 -1.47 113.55 120.41 2dka h SER 202 Ca 0.14 -0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 2dka h SER 202 Cb 0.17 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2dka h SER 202 CO -0.01 1.00 0.08 0.15 -0.87 0.00 0.00 176.83 177.18 2dka h PHE 203 N 0.73 0.76 -0.45 4.77 3.57 -1.14 -2.82 116.94 122.36 2dka h PHE 203 Ca 0.11 -0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2dka h PHE 203 Cb 0.69 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2dka h PHE 203 CO 0.04 0.72 -0.12 1.96 -2.23 0.00 0.00 178.31 178.68 2dka h GLN 204 N 0.58 0.82 -0.99 1.11 4.20 -0.99 0.12 115.11 119.96 2dka h GLN 204 Ca 0.13 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.58 2dka h GLN 204 Cb 0.36 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 2dka h GLN 204 CO 0.01 0.90 0.66 0.93 -0.67 0.00 0.00 178.83 180.66 2dka h GLU 205 N 0.74 1.27 0.05 1.46 4.39 -1.15 -1.02 114.58 120.33 2dka h GLU 205 Ca 0.12 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 2dka h GLU 205 Cb 0.62 -0.29 0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2dka h GLU 205 CO 0.04 0.84 -0.64 0.82 -1.16 0.00 0.00 179.01 178.91 2dka h ILE 206 N 1.31 1.48 -0.74 3.13 2.04 -1.29 -3.04 117.51 120.40 2dka h ILE 206 Ca 0.38 -2.25 0.13 0.00 1.00 0.00 0.00 64.86 64.12 2dka h ILE 206 Cb -0.09 2.86 -0.09 0.00 -0.74 0.00 0.00 36.82 38.76 2dka h ILE 206 CO -0.10 0.64 0.31 0.22 0.00 0.00 0.00 178.15 179.23 2dka h TYR 207 N -0.26 0.53 -0.26 1.37 3.20 -0.50 -0.41 116.97 120.65 2dka h TYR 207 Ca -0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2dka h TYR 207 Cb 1.41 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.56 2dka h TYR 207 CO 0.17 0.09 0.00 0.25 -1.64 0.00 0.00 178.16 177.04 2dka n THR 208 N -4.98 0.34 0.14 1.81 -2.24 -0.41 -5.08 114.28 103.86 2dka n THR 208 Ca 0.14 -0.40 0.08 0.00 -2.27 0.00 0.00 64.05 61.59 2dka n THR 208 Cb 0.39 0.29 0.43 0.00 -2.10 0.00 0.00 70.33 69.33 2dka n THR 208 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dka n ILE 209 N 0.40 1.00 0.00 2.28 0.13 -0.17 -5.07 119.36 117.94 2dka n ILE 209 Ca 0.14 0.71 0.00 0.00 -1.10 0.00 0.00 62.75 62.49 2dka n ILE 209 Cb 0.31 -1.71 0.00 0.00 -0.84 0.00 0.00 39.64 37.40 2dka n ILE 209 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2dka n GLU 215 N -2.07 0.00 -2.14 9.51 1.02 -1.26 -5.08 120.64 120.62 2dka n GLU 215 Ca -0.01 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.76 2dka n GLU 215 Cb 0.13 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.56 2dka n GLU 215 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2dka s LYS 216 N -0.08 3.50 -0.08 3.49 1.02 -1.26 -5.01 119.74 121.31 2dka s LYS 216 Ca 0.00 1.85 -0.21 0.00 0.02 0.00 0.00 55.97 57.62 2dka s LYS 216 Cb 0.00 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 2dka s LYS 216 CO 0.00 -0.79 0.61 0.42 -0.92 0.00 0.00 175.35 174.68 2dka s ILE 217 N -1.53 5.08 -0.00 2.17 1.01 0.39 -4.84 121.20 123.47 2dka s ILE 217 Ca 0.68 1.26 -0.00 0.00 0.00 0.00 0.00 60.65 62.59 2dka s ILE 217 Cb -0.30 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2dka s ILE 217 CO 0.36 0.29 0.07 -0.62 0.00 0.00 0.00 174.94 175.05 2dka s ASP 218 N 0.65 5.62 -0.20 3.58 2.15 -1.26 -0.51 116.67 126.70 2dka s ASP 218 Ca 0.33 0.13 -0.27 0.00 0.43 0.00 0.00 52.55 53.17 2dka s ASP 218 Cb -0.17 -1.60 0.07 0.00 -0.30 0.00 0.00 42.92 40.92 2dka s ASP 218 CO 0.15 0.27 0.70 -0.51 -0.17 0.00 0.00 175.17 175.62 2dka s ILE 219 N -1.18 0.00 -0.13 4.11 1.10 -0.82 -4.88 121.20 119.40 2dka s ILE 219 Ca 0.22 -0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.38 2dka s ILE 219 Cb -0.12 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.50 2dka s ILE 219 CO 0.13 -0.00 -0.20 -0.89 -2.11 0.00 0.00 174.94 171.87 2dka s THR 220 N -0.10 2.32 -0.16 4.00 2.01 -1.25 -2.58 115.64 119.88 2dka s THR 220 Ca -0.03 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.05 2dka s THR 220 Cb -0.03 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 2dka s THR 220 CO 0.04 0.54 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.77 2dka s ILE 221 N 0.62 3.11 -0.51 1.82 1.09 -0.44 -2.12 121.20 124.77 2dka s ILE 221 Ca -0.11 -0.62 -0.20 0.00 -1.10 0.00 0.00 60.65 58.63 2dka s ILE 221 Cb -0.16 -2.35 0.06 0.00 -1.06 0.00 0.00 42.46 38.95 2dka s ILE 221 CO 0.03 0.49 0.66 -0.62 -0.10 0.00 0.00 174.94 175.40 2dka s ASP 222 N 0.77 6.23 -0.02 3.58 2.15 0.39 -0.43 116.67 129.35 2dka s ASP 222 Ca -0.04 -0.86 0.07 0.00 0.43 0.00 0.00 52.55 52.14 2dka s ASP 222 Cb -0.15 -2.30 0.22 0.00 -0.30 0.00 0.00 42.92 40.39 2dka s ASP 222 CO 0.01 -0.93 1.12 0.00 -0.17 0.00 0.00 175.17 175.21 2dka n ALA 223 N 6.29 2.56 -1.42 3.66 0.00 -0.53 -1.38 120.51 129.69 2dka n ALA 223 Ca -0.06 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.78 2dka n ALA 223 Cb 0.46 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 2dka n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dka n ALA 224 N 0.20 -0.22 -2.56 0.00 0.00 -1.15 -1.05 120.51 115.73 2dka n ALA 224 Ca 0.08 0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.56 2dka n ALA 224 Cb 0.28 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 2dka n ALA 224 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dka n ASN 225 N -0.64 -5.48 -4.14 0.00 3.02 0.20 -1.18 115.26 107.02 2dka n ASN 225 Ca -0.14 -0.04 -0.20 0.00 -0.03 0.00 0.00 54.58 54.17 2dka n ASN 225 Cb 0.47 -4.55 -0.00 0.00 -0.61 0.00 0.00 39.78 35.09 2dka n ASN 225 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dka n GLY 226 N -1.07 2.87 0.33 7.41 0.00 -0.21 -3.76 105.19 110.75 2dka n GLY 226 Ca -0.20 -2.27 0.22 0.00 0.00 0.00 0.00 46.02 43.77 2dka n GLY 226 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2dka h VAL 227 N 0.66 0.06 0.00 1.61 3.04 -1.76 -1.45 116.25 118.41 2dka h VAL 227 Ca -0.27 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.35 2dka h VAL 227 Cb 0.97 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 31.30 2dka h VAL 227 CO 0.42 0.00 -0.05 1.23 -1.01 0.00 0.00 177.57 178.16 2dka h GLY 228 N 0.21 0.00 0.82 3.17 0.00 -1.82 -3.18 103.07 102.26 2dka h GLY 228 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2dka h GLY 228 CO 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.23 2dka h ALA 229 N 1.95 -0.77 0.00 3.60 0.00 -1.47 -1.07 119.26 121.50 2dka h ALA 229 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2dka h ALA 229 Cb 0.11 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2dka h ALA 229 CO 0.01 -0.95 -0.21 -1.00 0.00 0.00 0.00 179.25 177.10 2dka h PRO 230 N -0.76 0.00 -0.06 0.00 0.13 -1.76 -2.15 132.00 127.40 2dka h PRO 230 Ca -0.05 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.93 2dka h PRO 230 Cb 0.63 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.77 2dka h PRO 230 CO 0.04 0.21 -0.54 0.87 -0.23 0.00 0.00 178.00 178.35 2dka h LYS 231 N 0.00 0.47 -0.24 0.86 1.79 -1.56 -1.42 116.57 116.47 2dka h LYS 231 Ca -0.00 -0.43 -0.12 0.00 -2.18 0.00 0.00 60.65 57.92 2dka h LYS 231 Cb 0.44 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2dka h LYS 231 CO 0.03 1.07 -0.37 0.97 -1.08 0.00 0.00 179.45 180.07 2dka h ILE 232 N 0.02 1.29 0.02 1.86 6.09 -1.15 -0.69 117.51 124.96 2dka h ILE 232 Ca -0.05 -1.51 -0.00 0.00 -1.37 0.00 0.00 64.86 61.93 2dka h ILE 232 Cb 1.21 1.51 0.00 0.00 0.47 0.00 0.00 36.82 40.01 2dka h ILE 232 CO 0.11 0.48 -0.01 -0.61 -3.07 0.00 0.00 178.15 175.04 2dka h GLN 233 N 0.46 -0.03 -0.23 2.19 5.75 -1.38 -0.21 115.11 121.66 2dka h GLN 233 Ca 0.05 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2dka h GLN 233 Cb 0.85 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 2dka h GLN 233 CO 0.07 -0.02 0.12 1.49 -2.65 0.00 0.00 178.83 177.84 2dka h GLU 234 N -0.04 0.33 0.28 1.69 4.57 -1.10 -0.95 114.58 119.35 2dka h GLU 234 Ca -0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2dka h GLU 234 Cb 0.03 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2dka h GLU 234 CO 0.01 0.31 -0.13 1.25 -1.18 0.00 0.00 179.01 179.27 2dka h LEU 235 N 0.25 -0.32 -0.31 1.64 5.85 -0.99 -0.40 115.31 121.04 2dka h LEU 235 Ca 0.08 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 2dka h LEU 235 Cb 0.09 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2dka h LEU 235 CO -0.01 -0.21 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.70 2dka h LEU 236 N -0.40 0.64 -0.14 2.25 3.38 -1.04 -0.94 115.31 119.05 2dka h LEU 236 Ca -0.04 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2dka h LEU 236 Cb 0.31 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2dka h LEU 236 CO 0.06 0.88 -0.16 -0.08 0.09 0.00 0.00 178.44 179.23 2dka h GLU 237 N 0.39 0.36 0.11 1.13 4.57 -1.20 -2.04 114.58 117.89 2dka h GLU 237 Ca 0.07 -0.20 -0.29 0.00 -1.18 0.00 0.00 59.36 57.77 2dka h GLU 237 Cb 0.62 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2dka h GLU 237 CO 0.04 0.76 -1.41 0.87 -1.18 0.00 0.00 179.01 178.09 2dka h LYS 238 N -0.03 0.22 0.00 1.92 6.56 -1.15 -3.36 116.57 120.74 2dka h LYS 238 Ca 0.02 -0.38 -0.25 0.00 -1.06 0.00 0.00 60.65 58.98 2dka h LYS 238 Cb 0.71 0.14 -0.05 0.00 -0.57 0.00 0.00 32.23 32.46 2dka h LYS 238 CO 0.04 1.11 -1.96 0.66 -2.06 0.00 0.00 179.45 177.23 2dka n TYR 239 N -3.45 0.00 -1.80 -1.35 4.02 -0.38 -4.72 117.16 109.48 2dka n TYR 239 Ca -0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.79 2dka n TYR 239 Cb 1.03 -0.68 0.16 0.00 -0.02 0.00 0.00 39.34 39.82 2dka n TYR 239 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2dka n LEU 240 N -2.50 2.70 -0.02 7.72 4.77 -1.05 -4.81 117.00 123.81 2dka n LEU 240 Ca -0.22 -3.72 0.06 0.00 -0.03 0.00 0.00 56.01 52.10 2dka n LEU 240 Cb 0.93 -0.42 0.45 0.00 -2.33 0.00 0.00 43.42 42.06 2dka n LEU 240 CO 0.30 1.36 1.17 -0.74 -1.33 0.00 0.00 177.39 178.15 2dka h HIS 241 N 1.16 0.47 0.00 -1.77 2.76 -1.52 -0.85 115.15 115.41 2dka h HIS 241 Ca 0.01 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.08 2dka h HIS 241 Cb 1.19 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 2dka h HIS 241 CO 0.69 0.28 -0.49 0.87 -1.30 0.00 0.00 177.93 177.97 2dka h LYS 242 N 0.49 0.00 0.00 5.26 1.57 -1.88 -3.35 116.57 118.66 2dka h LYS 242 Ca 0.18 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.75 2dka h LYS 242 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2dka h LYS 242 CO -0.05 0.49 -2.17 0.39 -0.57 0.00 0.00 179.45 177.55 2dka n GLU 243 N -3.35 0.78 -4.89 3.15 4.71 -0.95 -4.79 120.64 115.30 2dka n GLU 243 Ca 0.01 -0.08 -0.26 0.00 -0.01 0.00 0.00 57.16 56.82 2dka n GLU 243 Cb 0.67 -1.49 -0.16 0.00 -1.01 0.00 0.00 31.44 29.45 2dka n GLU 243 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2dka s ILE 244 N -2.83 1.48 -0.14 -3.67 1.01 -0.36 -0.46 121.20 116.22 2dka s ILE 244 Ca -0.09 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 2dka s ILE 244 Cb 0.09 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 2dka s ILE 244 CO 0.81 0.42 -0.08 -0.94 0.00 0.00 0.00 174.94 175.15 2dka s SER 245 N -0.21 4.46 0.22 3.58 1.04 0.34 -4.61 113.70 118.52 2dka s SER 245 Ca 0.02 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.15 2dka s SER 245 Cb -0.09 -1.68 -0.01 0.00 0.10 0.00 0.00 66.02 64.33 2dka s SER 245 CO 0.01 0.18 0.36 0.72 0.98 0.00 0.00 173.24 175.49 2dka s PHE 246 N 0.30 0.57 -0.05 5.02 -0.12 -1.26 -1.94 117.98 120.50 2dka s PHE 246 Ca -0.06 -0.89 -0.08 0.00 -0.05 0.00 0.00 56.93 55.84 2dka s PHE 246 Cb -0.15 -0.03 0.02 0.00 -0.63 0.00 0.00 43.02 42.22 2dka s PHE 246 CO 0.04 -0.86 0.20 0.95 -0.05 0.00 0.00 175.22 175.50 2dka s THR 247 N -4.05 0.03 -0.13 -4.49 -4.23 -1.06 -5.00 115.64 96.71 2dka s THR 247 Ca 0.26 -0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2dka s THR 247 Cb 0.02 -0.37 -0.00 0.00 1.34 0.00 0.00 72.50 73.49 2dka s THR 247 CO 0.08 -0.12 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.16 2dka s VAL 248 N -0.41 2.45 0.19 2.29 1.01 -1.26 -1.33 120.40 123.34 2dka s VAL 248 Ca -0.05 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.16 2dka s VAL 248 Cb -0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2dka s VAL 248 CO 0.01 0.54 -0.13 0.68 0.00 0.00 0.00 175.10 176.20 2dka s VAL 249 N 0.53 2.95 -1.08 2.92 -7.23 0.43 -4.70 120.40 114.22 2dka s VAL 249 Ca -0.12 -1.81 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 2dka s VAL 249 Cb -0.16 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 2dka s VAL 249 CO 0.04 -0.14 0.88 0.59 -0.31 0.00 0.00 175.10 176.16 2dka n ASN 250 N 0.01 -6.16 -0.37 4.85 3.02 -1.26 -1.46 115.26 113.89 2dka n ASN 250 Ca -0.11 -0.80 0.09 0.00 -0.03 0.00 0.00 54.58 53.73 2dka n ASN 250 Cb 0.56 -4.64 0.18 0.00 -0.61 0.00 0.00 39.78 35.27 2dka n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dka n GLY 251 N -1.37 4.57 2.61 7.41 0.00 -1.26 0.58 105.19 117.73 2dka n GLY 251 Ca -0.08 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 2dka n GLY 251 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dka n ASP 252 N -1.10 6.07 0.19 1.61 4.64 -1.26 -4.71 116.55 121.99 2dka n ASP 252 Ca 0.18 -2.88 0.14 0.00 -1.38 0.00 0.00 54.79 50.85 2dka n ASP 252 Cb 0.73 -1.55 0.59 0.00 -1.04 0.00 0.00 41.12 39.86 2dka n ASP 252 CO 0.00 0.00 0.00 0.10 -0.82 0.00 0.00 177.20 176.48 2dka h TYR 253 N 5.47 0.00 0.00 -0.67 -0.00 -1.82 -2.43 116.97 117.52 2dka h TYR 253 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.36 2dka h TYR 253 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.22 2dka h TYR 253 CO 1.55 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 181.34 2dka n LYS 254 N -2.56 0.51 -3.83 0.10 5.02 -1.26 -3.97 118.16 112.17 2dka n LYS 254 Ca 0.01 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.04 2dka n LYS 254 Cb 0.24 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 2dka n LYS 254 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2dka n GLN 255 N -1.21 1.96 -0.18 1.97 7.27 -0.91 -4.97 117.38 121.31 2dka n GLN 255 Ca 0.15 -4.52 0.30 0.00 0.07 0.00 0.00 57.00 52.99 2dka n GLN 255 Cb 0.18 -2.29 0.71 0.00 2.41 0.00 0.00 30.24 31.25 2dka n GLN 255 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2dka h PRO 256 N 5.24 0.00 0.00 3.69 0.13 -1.80 -0.34 132.00 138.92 2dka h PRO 256 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2dka h PRO 256 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2dka h PRO 256 CO 0.74 0.00 0.00 -2.95 -0.23 0.00 0.00 178.00 175.56 2dka h ASN 257 N 0.00 0.00 0.11 1.44 7.08 -1.94 -2.02 115.58 120.25 2dka h ASN 257 Ca 0.44 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.66 2dka h ASN 257 Cb 1.98 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.22 2dka h ASN 257 CO -0.00 0.00 -0.16 0.18 -2.08 0.00 0.00 177.43 175.36 2dka n LEU 258 N -2.35 1.40 -4.67 6.14 4.77 -0.14 -4.83 117.00 117.33 2dka n LEU 258 Ca 0.01 -0.43 -0.47 0.00 -0.03 0.00 0.00 56.01 55.09 2dka n LEU 258 Cb 0.21 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2dka n LEU 258 CO 0.19 0.25 1.24 -0.11 -1.33 0.00 0.00 177.39 177.63 2dka n LEU 259 N -0.17 3.12 -2.06 2.23 -0.00 -0.76 -1.57 117.00 117.77 2dka n LEU 259 Ca 0.15 1.06 -0.09 0.00 -0.00 0.00 0.00 56.01 57.13 2dka n LEU 259 Cb 0.38 -1.41 -0.02 0.00 -0.00 0.00 0.00 43.42 42.37 2dka n LEU 259 CO 0.22 -0.27 -0.11 0.59 -0.00 0.00 0.00 177.39 177.82 2dka n ASN 260 N 4.01 -2.92 -4.54 1.96 3.02 -0.33 -4.72 115.26 111.75 2dka n ASN 260 Ca 0.18 0.26 -0.43 0.00 -0.03 0.00 0.00 54.58 54.56 2dka n ASN 260 Cb 0.29 -2.62 -0.07 0.00 -0.61 0.00 0.00 39.78 36.77 2dka n ASN 260 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2dka s PHE 261 N -2.23 3.09 -1.54 3.10 2.19 -0.61 -4.12 117.98 117.85 2dka s PHE 261 Ca 0.00 0.09 0.00 0.00 0.33 0.00 0.00 56.93 57.35 2dka s PHE 261 Cb 0.00 -3.29 0.00 0.00 -1.31 0.00 0.00 43.02 38.42 2dka s PHE 261 CO 0.00 -0.79 0.00 -0.25 1.83 0.00 0.00 175.22 176.01 2dka n ASP 262 N 6.21 -4.83 -3.26 6.13 9.92 -1.26 -4.88 116.55 124.58 2dka n ASP 262 Ca -0.01 0.17 -0.05 0.00 -0.53 0.00 0.00 54.79 54.37 2dka n ASP 262 Cb 0.48 -4.13 0.02 0.00 -0.64 0.00 0.00 41.12 36.84 2dka n ASP 262 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dka n GLY 264 N -0.60 1.95 0.26 0.00 0.00 -1.26 -4.33 105.19 101.20 2dka n GLY 264 Ca -0.05 -1.87 0.01 0.00 0.00 0.00 0.00 46.02 44.11 2dka n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dka h ALA 265 N 0.00 0.93 -0.42 4.61 0.00 -1.14 -2.24 119.26 121.01 2dka h ALA 265 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2dka h ALA 265 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2dka h ALA 265 CO 0.00 -0.06 0.04 -0.44 0.00 0.00 0.00 179.25 178.79 2dka h ASP 266 N 0.58 0.68 -0.03 0.00 3.32 -1.86 -1.05 116.42 118.05 2dka h ASP 266 Ca 0.33 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2dka h ASP 266 Cb 0.34 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2dka h ASP 266 CO -0.26 0.79 -0.01 0.22 -1.72 0.00 0.00 179.24 178.26 2dka h TYR 267 N 0.55 -0.02 -0.66 4.55 3.20 -1.69 -0.20 116.97 122.69 2dka h TYR 267 Ca 0.12 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 2dka h TYR 267 Cb 0.41 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 2dka h TYR 267 CO 0.03 -0.02 0.19 0.28 -1.64 0.00 0.00 178.16 177.00 2dka h VAL 268 N -0.01 1.25 -0.39 1.81 2.07 -1.36 -0.34 116.25 119.28 2dka h VAL 268 Ca 0.02 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 2dka h VAL 268 Cb 0.03 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2dka h VAL 268 CO -0.03 0.34 0.05 0.50 0.02 0.00 0.00 177.57 178.45 2dka h LYS 269 N 0.97 0.66 -0.13 1.57 1.63 -1.04 0.15 116.57 120.38 2dka h LYS 269 Ca 0.21 -0.18 -0.16 0.00 -0.85 0.00 0.00 60.65 59.67 2dka h LYS 269 Cb 0.32 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2dka h LYS 269 CO -0.00 0.72 -0.55 1.15 -3.45 0.00 0.00 179.45 177.32 2dka h THR 270 N 0.50 1.34 -0.01 1.00 2.02 -0.92 -3.32 112.91 113.52 2dka h THR 270 Ca 0.12 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.47 2dka h THR 270 Cb 0.39 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2dka h THR 270 CO 0.01 0.56 -0.47 0.59 0.37 0.00 0.00 175.52 176.58 2dka n ASN 271 N -4.17 1.43 -4.07 4.18 3.02 -0.15 -4.99 115.26 110.52 2dka n ASN 271 Ca -0.08 -1.13 -0.44 0.00 -0.03 0.00 0.00 54.58 52.90 2dka n ASN 271 Cb 0.62 0.40 0.01 0.00 -0.61 0.00 0.00 39.78 40.21 2dka n ASN 271 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dka n GLN 272 N -0.54 -0.44 -3.71 3.52 6.02 0.54 -4.96 117.38 117.81 2dka n GLN 272 Ca 0.09 0.11 -0.12 0.00 -0.01 0.00 0.00 57.00 57.08 2dka n GLN 272 Cb 0.40 -2.79 -0.07 0.00 1.02 0.00 0.00 30.24 28.80 2dka n GLN 272 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2dka s LYS 273 N -7.31 0.87 0.36 -1.09 -2.85 -1.24 -4.79 119.74 103.69 2dka s LYS 273 Ca 0.44 -0.47 -0.28 0.00 -1.00 0.00 0.00 55.97 54.66 2dka s LYS 273 Cb -0.23 0.38 -0.11 0.00 -2.06 0.00 0.00 37.83 35.81 2dka s LYS 273 CO 0.97 -0.29 1.47 -0.51 0.10 0.00 0.00 175.35 177.08 2dka s LEU 274 N -2.09 4.34 0.84 2.77 1.43 -1.26 -4.65 118.68 120.06 2dka s LEU 274 Ca -0.04 2.98 -0.12 0.00 -1.03 0.00 0.00 54.13 55.92 2dka s LEU 274 Cb -0.01 -3.66 0.10 0.00 0.03 0.00 0.00 46.19 42.65 2dka s LEU 274 CO -0.04 -0.82 1.12 -2.16 0.23 0.00 0.00 176.35 174.68 2dka s PRO 275 N -1.86 1.69 0.63 1.29 0.04 -1.26 -4.97 135.00 130.55 2dka s PRO 275 Ca 0.53 0.47 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 2dka s PRO 275 Cb -0.46 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2dka s PRO 275 CO 0.60 -1.86 1.18 1.17 0.04 0.00 0.00 177.00 178.13 2dka n LYS 276 N -3.56 1.07 -0.56 4.56 4.81 -0.61 -2.65 118.16 121.22 2dka n LYS 276 Ca 0.07 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 2dka n LYS 276 Cb 0.58 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.23 2dka n LYS 276 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2dka n ASN 277 N -1.43 0.00 -4.63 3.14 5.03 -1.26 -4.80 115.26 111.30 2dka n ASN 277 Ca 0.15 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.18 2dka n ASN 277 Cb 0.48 -0.80 -0.05 0.00 -1.02 0.00 0.00 39.78 38.39 2dka n ASN 277 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2dka s VAL 278 N -2.70 4.86 -0.72 2.41 1.01 -1.08 -4.95 120.40 119.23 2dka s VAL 278 Ca 0.00 1.40 -0.24 0.00 0.00 0.00 0.00 61.98 63.14 2dka s VAL 278 Cb 0.00 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.36 2dka s VAL 278 CO 0.00 -0.08 1.13 -0.54 0.00 0.00 0.00 175.10 175.61 2dka s LYS 279 N 2.78 3.18 -0.35 2.72 -0.14 -1.26 -4.93 119.74 121.74 2dka s LYS 279 Ca 0.32 -0.63 -0.40 0.00 -1.36 0.00 0.00 55.97 53.91 2dka s LYS 279 Cb -0.15 -4.28 -0.15 0.00 -1.68 0.00 0.00 37.83 31.56 2dka s LYS 279 CO 0.08 -1.97 1.91 -0.35 -0.76 0.00 0.00 175.35 174.26 2dka n PRO 280 N 8.43 0.85 -4.05 -1.68 -0.04 -1.26 -4.98 135.00 132.27 2dka n PRO 280 Ca 0.02 0.29 -0.23 0.00 -0.04 0.00 0.00 63.50 63.54 2dka n PRO 280 Cb 0.47 -2.05 -0.17 0.00 -0.04 0.00 0.00 33.50 31.71 2dka n PRO 280 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dka s VAL 281 N 4.86 0.66 0.65 0.52 1.01 -1.26 -5.13 120.40 121.71 2dka s VAL 281 Ca 1.05 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 2dka s VAL 281 Cb -1.12 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2dka s VAL 281 CO 0.63 0.28 1.27 0.20 0.00 0.00 0.00 175.10 177.48 2dka s ASN 282 N 1.34 4.61 -1.59 3.32 0.02 -1.26 -3.34 114.94 118.04 2dka s ASN 282 Ca -0.04 2.54 0.00 0.00 -1.02 0.00 0.00 52.86 54.35 2dka s ASN 282 Cb -0.14 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.52 2dka s ASN 282 CO -0.03 -2.00 0.00 0.59 0.02 0.00 0.00 177.10 175.69 2dka n ASN 283 N -2.01 -4.07 -4.60 -1.22 3.02 0.53 -4.93 115.26 101.99 2dka n ASN 283 Ca 0.15 0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 54.71 2dka n ASN 283 Cb 0.49 -3.70 -0.10 0.00 -0.61 0.00 0.00 39.78 35.85 2dka n ASN 283 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2dka s LYS 284 N -3.45 3.91 0.04 3.52 2.20 -1.21 -4.64 119.74 120.10 2dka s LYS 284 Ca 0.00 -0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 2dka s LYS 284 Cb 0.00 -3.21 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 2dka s LYS 284 CO 0.00 0.21 1.30 -1.17 -0.36 0.00 0.00 175.35 175.33 2dka s LEU 285 N 0.55 4.34 0.22 5.43 2.96 -1.26 -4.49 118.68 126.43 2dka s LEU 285 Ca 0.03 2.08 0.11 0.00 -0.22 0.00 0.00 54.13 56.14 2dka s LEU 285 Cb -0.13 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 2dka s LEU 285 CO 0.01 -0.60 -0.22 -0.31 -1.32 0.00 0.00 176.35 173.91 2dka s TYR 286 N 1.62 2.27 -0.00 5.38 1.51 -0.18 -3.84 117.35 124.10 2dka s TYR 286 Ca 0.61 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 56.32 2dka s TYR 286 Cb -0.31 -1.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 2dka s TYR 286 CO 0.28 0.57 -0.00 0.00 -1.11 0.00 0.00 175.55 175.28 2dka s ALA 287 N -2.01 0.03 -0.08 3.71 0.00 -0.90 -1.85 121.76 120.67 2dka s ALA 287 Ca 0.24 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.23 2dka s ALA 287 Cb -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 2dka s ALA 287 CO 0.11 0.00 -0.22 -1.12 0.00 0.00 0.00 175.76 174.54 2dka s SER 288 N 0.02 2.76 0.41 0.00 0.01 0.72 -0.46 113.70 117.16 2dka s SER 288 Ca -0.00 -0.48 0.05 0.00 1.31 0.00 0.00 55.95 56.83 2dka s SER 288 Cb -0.00 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.15 2dka s SER 288 CO -0.00 0.16 0.59 -0.36 0.41 0.00 0.00 173.24 174.03 2dka s PHE 289 N 0.23 3.02 0.56 2.43 2.99 -0.48 -1.52 117.98 125.22 2dka s PHE 289 Ca -0.13 -0.13 0.08 0.00 0.00 0.00 0.00 56.93 56.75 2dka s PHE 289 Cb -0.16 -2.28 0.08 0.00 0.00 0.00 0.00 43.02 40.66 2dka s PHE 289 CO 0.06 -0.32 0.77 0.16 -0.00 0.00 0.00 175.22 175.89 2dka s ASP 290 N -4.27 5.14 0.38 1.36 -4.77 -1.11 -0.78 116.67 112.62 2dka s ASP 290 Ca 0.50 -0.73 0.16 0.00 -3.30 0.00 0.00 52.55 49.18 2dka s ASP 290 Cb -0.10 0.10 1.04 0.00 -1.09 0.00 0.00 42.92 42.88 2dka s ASP 290 CO 0.34 -1.29 1.77 1.23 0.70 0.00 0.00 175.17 177.92 2dka h GLY 291 N 0.20 1.36 -1.63 2.12 0.00 -1.86 -2.15 103.07 101.11 2dka h GLY 291 Ca -0.32 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2dka h GLY 291 CO 0.42 -0.15 0.00 2.09 0.00 0.00 0.00 176.54 178.90 2dka n ASP 292 N -4.68 3.53 -3.62 0.19 5.75 -1.26 -2.44 116.55 114.02 2dka n ASP 292 Ca 0.25 -2.43 -0.24 0.00 -0.01 0.00 0.00 54.79 52.36 2dka n ASP 292 Cb 0.83 -0.39 0.07 0.00 -1.03 0.00 0.00 41.12 40.60 2dka n ASP 292 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dka n ALA 293 N 0.22 -1.37 0.49 2.12 0.00 -0.81 -2.38 120.51 118.78 2dka n ALA 293 Ca 0.17 0.34 0.06 0.00 0.00 0.00 0.00 53.44 54.01 2dka n ALA 293 Cb 0.66 -5.14 0.02 0.00 0.00 0.00 0.00 19.45 14.99 2dka n ALA 293 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dka n ASP 294 N -3.01 1.57 -4.04 0.00 3.85 -1.26 -0.98 116.55 112.68 2dka n ASP 294 Ca -0.01 -1.29 -0.18 0.00 -0.71 0.00 0.00 54.79 52.60 2dka n ASP 294 Cb 0.57 0.27 -0.14 0.00 -1.35 0.00 0.00 41.12 40.47 2dka n ASP 294 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2dka s ARG 295 N -1.25 0.74 -0.03 0.11 0.52 -1.26 -4.12 118.95 113.66 2dka s ARG 295 Ca 0.11 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.94 2dka s ARG 295 Cb 0.09 -0.71 -0.00 0.00 0.52 0.00 0.00 34.95 34.85 2dka s ARG 295 CO 0.22 0.19 -0.14 -1.17 0.02 0.00 0.00 175.30 174.42 2dka s LEU 296 N -0.44 1.89 -0.07 2.53 2.96 -0.99 -2.77 118.68 121.79 2dka s LEU 296 Ca 0.02 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2dka s LEU 296 Cb -0.05 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.85 2dka s LEU 296 CO -0.00 0.13 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.49 2dka s ILE 297 N 0.03 0.64 0.34 6.68 -1.09 -0.57 -4.23 121.20 123.00 2dka s ILE 297 Ca -0.02 -0.10 0.07 0.00 -2.23 0.00 0.00 60.65 58.38 2dka s ILE 297 Cb -0.10 -0.70 -0.02 0.00 -1.58 0.00 0.00 42.46 40.06 2dka s ILE 297 CO 0.01 0.28 0.33 0.00 -1.23 0.00 0.00 174.94 174.33 2dka s TYR 299 N -2.31 -0.04 0.24 0.00 -0.85 -0.77 -0.35 117.35 113.27 2dka s TYR 299 Ca 0.42 -0.03 -0.19 0.00 -0.52 0.00 0.00 57.07 56.75 2dka s TYR 299 Cb -0.06 0.53 0.02 0.00 0.38 0.00 0.00 41.96 42.83 2dka s TYR 299 CO 0.27 -0.18 0.62 1.52 -1.52 0.00 0.00 175.55 176.26 2dka s TYR 300 N -2.29 -0.13 -0.14 -3.49 -0.85 -0.88 -1.01 117.35 108.55 2dka s TYR 300 Ca 0.14 -0.25 -0.04 0.00 -0.52 0.00 0.00 57.07 56.40 2dka s TYR 300 Cb 0.05 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.90 2dka s TYR 300 CO -0.05 -1.08 -0.02 -1.14 -1.52 0.00 0.00 175.55 171.75 2dka s GLN 301 N -3.90 3.53 0.66 -3.49 0.74 -1.26 -0.70 119.66 115.24 2dka s GLN 301 Ca 0.11 -0.47 -0.05 0.00 0.05 0.00 0.00 55.36 55.00 2dka s GLN 301 Cb -0.03 -2.91 0.14 0.00 1.10 0.00 0.00 33.01 31.30 2dka s GLN 301 CO 0.02 0.36 0.91 0.27 -0.55 0.00 0.00 175.29 176.30 2dka n ASN 302 N 3.18 0.75 0.00 6.67 0.23 -0.33 -0.35 115.26 125.42 2dka n ASN 302 Ca -0.17 -1.75 0.04 0.00 -0.53 0.00 0.00 54.58 52.17 2dka n ASN 302 Cb 0.53 -0.63 0.18 0.00 -2.08 0.00 0.00 39.78 37.77 2dka n ASN 302 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2dka n ASN 303 N -3.19 0.00 -1.15 0.53 3.02 -1.26 -1.21 115.26 112.00 2dka n ASN 303 Ca 0.13 0.41 0.08 0.00 -0.03 0.00 0.00 54.58 55.17 2dka n ASN 303 Cb 0.48 -0.44 0.28 0.00 -0.61 0.00 0.00 39.78 39.49 2dka n ASN 303 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2dka n ASP 304 N -1.44 4.15 -0.62 6.41 8.00 -1.26 -4.92 116.55 126.86 2dka n ASP 304 Ca 0.02 -2.63 -0.08 0.00 0.71 0.00 0.00 54.79 52.81 2dka n ASP 304 Cb 0.08 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 2dka n ASP 304 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2dka n ASN 305 N 0.29 -4.78 -4.75 -2.24 3.02 -0.35 -4.98 115.26 101.47 2dka n ASN 305 Ca 0.21 0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 54.56 2dka n ASN 305 Cb 0.83 -2.99 -0.05 0.00 -0.61 0.00 0.00 39.78 36.96 2dka n ASN 305 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2dka s LYS 306 N -2.41 4.62 -0.14 3.52 2.47 -1.26 -4.79 119.74 121.76 2dka s LYS 306 Ca 0.00 1.25 -0.29 0.00 -1.56 0.00 0.00 55.97 55.36 2dka s LYS 306 Cb 0.00 -3.33 -0.02 0.00 -1.46 0.00 0.00 37.83 33.03 2dka s LYS 306 CO 0.00 0.38 1.18 0.12 0.16 0.00 0.00 175.35 177.19 2dka s PHE 307 N -0.49 3.10 -0.29 4.03 5.36 -1.26 -1.18 117.98 127.24 2dka s PHE 307 Ca 0.40 1.20 -0.05 0.00 -0.96 0.00 0.00 56.93 57.53 2dka s PHE 307 Cb -0.23 -3.41 0.02 0.00 -0.34 0.00 0.00 43.02 39.07 2dka s PHE 307 CO 0.27 -1.24 0.03 0.15 -1.46 0.00 0.00 175.22 172.97 2dka s LYS 308 N 2.91 2.85 0.13 10.12 -0.14 0.13 -4.98 119.74 130.75 2dka s LYS 308 Ca 0.53 -1.00 -0.30 0.00 -1.36 0.00 0.00 55.97 53.84 2dka s LYS 308 Cb -0.21 -3.25 -0.06 0.00 -1.68 0.00 0.00 37.83 32.63 2dka s LYS 308 CO 0.16 -0.49 0.98 -1.17 -0.76 0.00 0.00 175.35 174.07 2dka s LEU 309 N 1.40 4.51 -0.61 3.17 2.96 -1.26 -2.07 118.68 126.78 2dka s LEU 309 Ca 0.00 1.86 0.05 0.00 -0.22 0.00 0.00 54.13 55.82 2dka s LEU 309 Cb -0.18 -3.59 0.20 0.00 0.50 0.00 0.00 46.19 43.12 2dka s LEU 309 CO -0.00 -0.07 0.54 0.18 -1.32 0.00 0.00 176.35 175.67 2dka n LEU 310 N 2.60 2.31 0.00 -0.68 4.77 0.52 -4.94 117.00 121.59 2dka n LEU 310 Ca 0.02 -5.07 0.00 0.00 -0.03 0.00 0.00 56.01 50.93 2dka n LEU 310 Cb 0.48 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2dka n LEU 310 CO 0.51 1.88 0.00 -0.90 -1.33 0.00 0.00 177.39 177.56 2dka n ASP 311 N 1.78 0.00 -0.32 -1.43 5.68 -1.26 -1.81 116.55 119.19 2dka n ASP 311 Ca 0.24 -0.36 0.12 0.00 -0.50 0.00 0.00 54.79 54.29 2dka n ASP 311 Cb 0.41 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.68 2dka n ASP 311 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2dka h GLY 312 N 0.00 1.61 0.99 6.12 0.00 -1.36 -0.50 103.07 109.93 2dka h GLY 312 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2dka h GLY 312 CO 0.00 -0.14 0.30 -0.55 0.00 0.00 0.00 176.54 176.16 2dka h ASP 313 N 0.60 0.69 0.28 0.19 3.32 -1.80 -0.44 116.42 119.27 2dka h ASP 313 Ca 0.55 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.41 2dka h ASP 313 Cb 0.91 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2dka h ASP 313 CO -0.43 0.59 -0.40 0.11 -1.72 0.00 0.00 179.24 177.39 2dka h LYS 314 N 0.75 0.17 -0.07 3.56 1.79 -1.48 -1.78 116.57 119.50 2dka h LYS 314 Ca 0.20 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.54 2dka h LYS 314 Cb 0.05 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2dka h LYS 314 CO -0.03 0.55 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.68 2dka h LEU 315 N 0.14 0.24 -0.52 2.94 3.38 -0.72 -1.89 115.31 118.88 2dka h LEU 315 Ca 0.01 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.44 2dka h LEU 315 Cb 0.78 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2dka h LEU 315 CO 0.06 0.76 0.32 0.77 0.09 0.00 0.00 178.44 180.44 2dka h SER 316 N -0.27 0.52 0.47 -0.43 4.64 -1.00 -1.52 113.55 115.96 2dka h SER 316 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2dka h SER 316 Cb 0.72 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2dka h SER 316 CO 0.03 0.37 -0.49 0.71 -0.87 0.00 0.00 176.83 176.58 2dka h THR 317 N 0.63 1.35 -0.15 2.95 1.35 -1.37 -1.24 112.91 116.43 2dka h THR 317 Ca 0.21 -1.67 -0.03 0.00 -0.55 0.00 0.00 66.41 64.37 2dka h THR 317 Cb 0.01 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 2dka h THR 317 CO -0.09 0.48 -0.01 0.25 -0.25 0.00 0.00 175.52 175.90 2dka h LEU 318 N 0.01 0.27 -0.97 3.87 5.85 -0.83 -1.50 115.31 122.01 2dka h LEU 318 Ca -0.00 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 2dka h LEU 318 Cb 0.86 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2dka h LEU 318 CO 0.06 0.54 0.05 -0.26 -0.34 0.00 0.00 178.44 178.49 2dka h PHE 319 N 0.00 0.83 -0.24 1.25 0.05 -1.14 -1.01 116.94 116.68 2dka h PHE 319 Ca 0.04 -0.10 -0.01 0.00 3.82 0.00 0.00 57.97 61.72 2dka h PHE 319 Cb 0.40 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 38.11 2dka h PHE 319 CO 0.04 0.75 0.10 0.00 -0.18 0.00 0.00 178.31 179.01 2dka h ALA 320 N 1.30 0.32 -0.29 2.45 0.00 -1.14 0.04 119.26 121.94 2dka h ALA 320 Ca 0.15 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2dka h ALA 320 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2dka h ALA 320 CO 0.01 -0.09 0.15 1.25 0.00 0.00 0.00 179.25 180.57 2dka h LEU 321 N 0.24 0.23 -0.20 0.00 5.85 -0.99 -0.51 115.31 119.94 2dka h LEU 321 Ca 0.08 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2dka h LEU 321 Cb 0.18 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2dka h LEU 321 CO -0.01 0.17 -0.01 0.15 -0.34 0.00 0.00 178.44 178.40 2dka h PHE 322 N 0.32 -0.04 -0.71 1.25 3.57 -0.95 -0.46 116.94 119.92 2dka h PHE 322 Ca 0.12 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2dka h PHE 322 Cb 0.02 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2dka h PHE 322 CO -0.09 -0.04 0.36 -0.07 -2.23 0.00 0.00 178.31 176.24 2dka h LEU 323 N 0.05 0.91 -1.11 0.59 3.38 -0.70 -1.87 115.31 116.57 2dka h LEU 323 Ca 0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2dka h LEU 323 Cb 0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2dka h LEU 323 CO -0.17 0.77 0.33 -0.61 0.09 0.00 0.00 178.44 178.85 2dka h GLN 324 N 0.99 0.96 -0.56 1.13 4.15 -0.68 -1.20 115.11 119.89 2dka h GLN 324 Ca 0.25 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.45 2dka h GLN 324 Cb 0.09 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2dka h GLN 324 CO -0.03 0.74 -0.01 1.96 -1.93 0.00 0.00 178.83 179.55 2dka h GLN 325 N 0.95 0.98 -0.39 1.69 1.08 -0.49 -2.62 115.11 116.32 2dka h GLN 325 Ca 0.24 -0.30 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 2dka h GLN 325 Cb 0.09 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2dka h GLN 325 CO -0.03 0.97 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.74 2dka h LEU 326 N 0.90 0.67 -1.26 1.46 3.38 -0.86 -2.93 115.31 116.67 2dka h LEU 326 Ca 0.16 -0.31 0.13 0.00 0.09 0.00 0.00 57.88 57.95 2dka h LEU 326 Cb 0.53 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2dka h LEU 326 CO 0.03 0.82 0.57 -0.26 0.09 0.00 0.00 178.44 179.69 2dka h PHE 327 N 0.51 0.85 0.00 1.13 0.05 -1.01 0.12 116.94 118.60 2dka h PHE 327 Ca 0.11 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.92 2dka h PHE 327 Cb 0.47 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.15 2dka h PHE 327 CO 0.04 0.34 0.00 0.87 -0.18 0.00 0.00 178.31 179.37 2dka h LYS 328 N 0.74 0.00 -0.01 1.51 1.57 -1.28 -2.09 116.57 117.02 2dka h LYS 328 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2dka h LYS 328 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2dka h LYS 328 CO -0.20 0.00 -0.22 1.04 -0.57 0.00 0.00 179.45 179.50 2dka n GLN 329 N -2.94 1.08 -5.17 3.15 1.13 0.42 -4.88 117.38 110.17 2dka n GLN 329 Ca -0.02 -0.68 -0.29 0.00 -1.94 0.00 0.00 57.00 54.07 2dka n GLN 329 Cb 0.13 -1.49 -0.16 0.00 0.11 0.00 0.00 30.24 28.84 2dka n GLN 329 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2dka s ILE 330 N -2.39 1.86 -0.00 5.09 -4.36 -0.79 -4.14 121.20 116.48 2dka s ILE 330 Ca 0.27 -1.00 -0.30 0.00 -0.26 0.00 0.00 60.65 59.35 2dka s ILE 330 Cb 0.19 -1.54 -0.07 0.00 1.25 0.00 0.00 42.46 42.29 2dka s ILE 330 CO 0.48 0.53 1.80 1.51 0.24 0.00 0.00 174.94 179.50 2dka s ASP 331 N -0.51 6.56 0.36 4.36 -4.77 -1.26 -4.87 116.67 116.53 2dka s ASP 331 Ca 0.08 2.46 0.27 0.00 -3.30 0.00 0.00 52.55 52.06 2dka s ASP 331 Cb -0.09 -2.53 1.18 0.00 -1.09 0.00 0.00 42.92 40.38 2dka s ASP 331 CO -0.01 -0.98 1.80 1.55 0.70 0.00 0.00 175.17 178.23 2dka h PRO 332 N 9.92 0.00 0.00 2.11 0.13 -1.90 -1.00 132.00 141.26 2dka h PRO 332 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2dka h PRO 332 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dka h PRO 332 CO 0.95 0.00 -0.05 1.15 -0.23 0.00 0.00 178.00 179.82 2dka h THR 333 N 0.00 0.00 0.02 1.56 2.02 -2.03 -3.29 112.91 111.20 2dka h THR 333 Ca 0.00 -0.90 -0.34 0.00 0.77 0.00 0.00 66.41 65.95 2dka h THR 333 Cb 0.32 1.87 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 2dka h THR 333 CO 0.00 0.00 -2.03 2.29 0.37 0.00 0.00 175.52 176.15 2dka n LYS 334 N -2.91 0.67 -3.76 6.66 0.00 -0.42 -4.96 118.16 113.44 2dka n LYS 334 Ca 0.04 0.19 -0.12 0.00 -0.00 0.00 0.00 58.31 58.42 2dka n LYS 334 Cb 0.51 -1.67 -0.12 0.00 -0.00 0.00 0.00 35.03 33.75 2dka n LYS 334 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2dka s ILE 335 N -2.55 -0.02 -0.27 0.58 2.07 -0.94 -5.08 121.20 115.00 2dka s ILE 335 Ca -0.12 0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.11 2dka s ILE 335 Cb 0.07 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.27 2dka s ILE 335 CO 0.79 0.02 0.06 -0.55 -1.91 0.00 0.00 174.94 173.35 2dka s SER 336 N 0.60 5.00 -0.07 4.50 0.15 -1.26 -4.38 113.70 118.24 2dka s SER 336 Ca -0.04 -0.46 -0.05 0.00 0.70 0.00 0.00 55.95 56.10 2dka s SER 336 Cb -0.05 -1.88 0.03 0.00 -1.71 0.00 0.00 66.02 62.41 2dka s SER 336 CO -0.04 -0.11 0.18 -0.76 1.20 0.00 0.00 173.24 173.71 2dka s LEU 337 N 1.54 0.95 0.21 3.45 1.43 -1.26 -5.07 118.68 119.94 2dka s LEU 337 Ca 0.05 0.36 0.10 0.00 -1.03 0.00 0.00 54.13 53.61 2dka s LEU 337 Cb -0.16 0.53 -0.04 0.00 0.03 0.00 0.00 46.19 46.55 2dka s LEU 337 CO 0.02 -0.11 -0.12 0.54 0.23 0.00 0.00 176.35 176.91 2dka s ASN 338 N 0.69 4.07 0.09 2.29 6.03 -1.26 -5.05 114.94 121.81 2dka s ASN 338 Ca -0.05 -0.70 0.09 0.00 -1.03 0.00 0.00 52.86 51.18 2dka s ASN 338 Cb -0.07 -0.61 -0.03 0.00 -3.03 0.00 0.00 41.25 37.52 2dka s ASN 338 CO -0.04 0.08 -0.25 -0.63 -2.03 0.00 0.00 177.10 174.24 2dka s ILE 339 N -1.90 2.02 0.02 0.54 1.01 -1.26 -2.45 121.20 119.17 2dka s ILE 339 Ca 0.26 -1.54 0.01 0.00 0.00 0.00 0.00 60.65 59.38 2dka s ILE 339 Cb -0.08 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2dka s ILE 339 CO 0.15 0.14 -0.03 -0.83 0.00 0.00 0.00 174.94 174.37 2dka s GLY 340 N -1.69 0.22 -0.19 6.18 0.00 -0.70 -4.07 107.32 107.07 2dka s GLY 340 Ca 0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 2dka s GLY 340 CO 0.04 -0.44 -0.13 0.14 0.00 0.00 0.00 173.10 172.70 2dka s VAL 341 N -0.87 2.65 -0.17 1.40 1.01 -0.35 -0.83 120.40 123.25 2dka s VAL 341 Ca -0.08 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2dka s VAL 341 Cb -0.06 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2dka s VAL 341 CO -0.00 0.49 0.03 -0.69 0.00 0.00 0.00 175.10 174.93 2dka s VAL 342 N 1.30 4.49 0.38 2.92 1.01 0.64 -1.11 120.40 130.03 2dka s VAL 342 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2dka s VAL 342 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2dka s VAL 342 CO -0.07 0.48 0.11 -1.10 0.00 0.00 0.00 175.10 174.52 2dka s GLN 343 N 0.26 1.82 0.48 2.72 -0.21 0.36 -3.51 119.66 121.58 2dka s GLN 343 Ca 0.02 -2.08 0.03 0.00 0.02 0.00 0.00 55.36 53.35 2dka s GLN 343 Cb -0.13 -0.66 -0.03 0.00 1.00 0.00 0.00 33.01 33.19 2dka s GLN 343 CO 0.01 -0.39 0.02 0.95 -2.12 0.00 0.00 175.29 173.76 2dka s THR 344 N -3.27 1.46 -0.04 -0.19 -4.23 -1.26 -1.04 115.64 107.07 2dka s THR 344 Ca 0.28 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 59.11 2dka s THR 344 Cb 0.05 -2.44 0.30 0.00 1.34 0.00 0.00 72.50 71.75 2dka s THR 344 CO 0.15 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.11 2dka h ALA 345 N 1.46 1.00 0.00 3.99 0.00 -1.81 -2.59 119.26 121.31 2dka h ALA 345 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2dka h ALA 345 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2dka h ALA 345 CO 0.76 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.67 2dka n TYR 346 N -2.57 0.13 -2.13 0.00 4.02 -1.26 -4.82 117.16 110.54 2dka n TYR 346 Ca -0.00 0.04 -0.41 0.00 -0.01 0.00 0.00 57.90 57.52 2dka n TYR 346 Cb 0.14 -0.57 -0.02 0.00 -0.02 0.00 0.00 39.34 38.87 2dka n TYR 346 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dka s ALA 347 N -3.02 3.52 0.31 -0.72 0.00 -0.98 -4.85 121.76 116.01 2dka s ALA 347 Ca 0.11 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 2dka s ALA 347 Cb 0.15 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 2dka s ALA 347 CO 0.46 -0.62 1.55 1.21 0.00 0.00 0.00 175.76 178.36 2dka s ASN 348 N -0.27 6.40 0.50 0.00 3.84 -1.26 -4.87 114.94 119.27 2dka s ASN 348 Ca 0.51 2.94 0.22 0.00 0.21 0.00 0.00 52.86 56.74 2dka s ASN 348 Cb -0.39 -2.64 1.29 0.00 -0.55 0.00 0.00 41.25 38.96 2dka s ASN 348 CO 0.49 -0.88 1.98 1.23 -2.79 0.00 0.00 177.10 177.13 2dka h GLY 349 N 4.41 0.21 1.92 1.21 0.00 -1.93 -0.98 103.07 107.91 2dka h GLY 349 Ca -0.48 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 2dka h GLY 349 CO 0.75 0.02 -0.38 1.76 0.00 0.00 0.00 176.54 178.69 2dka h SER 350 N 0.13 0.09 -0.32 0.19 0.02 -1.89 -1.96 113.55 109.81 2dka h SER 350 Ca 0.28 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 61.04 2dka h SER 350 Cb 0.94 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2dka h SER 350 CO -0.04 0.47 -0.40 0.77 -1.14 0.00 0.00 176.83 176.50 2dka h SER 351 N 0.08 0.94 -0.45 3.07 4.64 -1.52 -0.96 113.55 119.36 2dka h SER 351 Ca 0.01 -0.43 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 2dka h SER 351 Cb 0.71 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2dka h SER 351 CO 0.05 1.22 0.15 0.74 -0.87 0.00 0.00 176.83 178.11 2dka h THR 352 N 0.71 1.22 -0.68 2.95 2.02 -1.37 -1.99 112.91 115.77 2dka h THR 352 Ca 0.06 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 2dka h THR 352 Cb 0.98 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 2dka h THR 352 CO 0.09 0.26 0.26 0.11 0.37 0.00 0.00 175.52 176.62 2dka h LYS 353 N 0.58 1.02 -0.03 6.66 1.57 -1.26 -2.06 116.57 123.05 2dka h LYS 353 Ca 0.14 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2dka h LYS 353 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2dka h LYS 353 CO -0.01 0.86 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.79 2dka h TYR 354 N 0.97 -0.04 -0.55 -1.35 3.20 -0.90 0.30 116.97 118.60 2dka h TYR 354 Ca 0.23 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2dka h TYR 354 Cb 0.22 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2dka h TYR 354 CO 0.02 -0.03 0.29 0.28 -1.64 0.00 0.00 178.16 177.08 2dka h VAL 355 N -0.01 1.19 0.06 1.81 2.07 -1.25 0.80 116.25 120.92 2dka h VAL 355 Ca 0.02 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2dka h VAL 355 Cb 0.04 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2dka h VAL 355 CO -0.04 0.21 -0.03 -0.33 0.02 0.00 0.00 177.57 177.40 2dka h GLU 356 N 0.74 -0.08 0.00 1.57 5.08 -1.21 0.12 114.58 120.80 2dka h GLU 356 Ca 0.19 0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.27 2dka h GLU 356 Cb 0.07 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2dka h GLU 356 CO -0.03 0.43 -1.69 -0.44 -1.00 0.00 0.00 179.01 176.29 2dka h ASP 357 N -0.65 0.01 0.00 1.42 3.32 -0.47 -3.06 116.42 116.99 2dka h ASP 357 Ca -0.01 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 2dka h ASP 357 Cb 0.55 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2dka h ASP 357 CO 0.01 1.01 -1.23 0.52 -1.72 0.00 0.00 179.24 177.84 2dka n VAL 358 N -3.06 1.49 0.18 -1.35 0.31 0.16 -4.43 118.33 111.63 2dka n VAL 358 Ca -0.16 0.01 0.07 0.00 -0.01 0.00 0.00 64.34 64.25 2dka n VAL 358 Cb 1.05 -2.18 0.16 0.00 -0.91 0.00 0.00 33.84 31.95 2dka n VAL 358 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dka h LEU 359 N -1.00 0.00 -1.51 7.52 3.38 -1.22 -3.48 115.31 119.01 2dka h LEU 359 Ca -0.24 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.35 2dka h LEU 359 Cb 1.06 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.93 2dka h LEU 359 CO -0.15 0.29 -0.77 0.29 0.09 0.00 0.00 178.44 178.19 2dka n LYS 360 N -3.21 -6.31 -4.90 1.13 5.02 0.18 -4.98 118.16 105.09 2dka n LYS 360 Ca 0.02 0.77 -0.31 0.00 -2.02 0.00 0.00 58.31 56.77 2dka n LYS 360 Cb 0.61 -5.66 -0.14 0.00 -0.02 0.00 0.00 35.03 29.82 2dka n LYS 360 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2dka s ILE 361 N -3.43 2.55 0.41 -0.18 1.01 0.05 -4.99 121.20 116.62 2dka s ILE 361 Ca 0.14 -1.11 -0.27 0.00 0.00 0.00 0.00 60.65 59.41 2dka s ILE 361 Cb -0.07 -2.00 -0.10 0.00 0.01 0.00 0.00 42.46 40.30 2dka s ILE 361 CO 0.76 0.45 1.47 -2.84 0.00 0.00 0.00 174.94 174.78 2dka s PRO 362 N -1.07 3.93 -0.01 2.79 0.02 -1.26 -3.97 135.00 135.43 2dka s PRO 362 Ca 0.12 2.52 0.06 0.00 0.02 0.00 0.00 61.00 63.72 2dka s PRO 362 Cb -0.10 -2.84 -0.02 0.00 0.02 0.00 0.00 34.50 31.56 2dka s PRO 362 CO 0.02 -0.66 -0.20 0.08 -0.33 0.00 0.00 177.00 175.91 2dka s VAL 363 N -1.15 1.58 0.01 3.83 1.01 -1.26 -1.21 120.40 123.21 2dka s VAL 363 Ca 0.56 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.71 2dka s VAL 363 Cb -0.46 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2dka s VAL 363 CO 0.61 0.43 -0.15 -0.13 0.00 0.00 0.00 175.10 175.86 2dka s ARG 364 N -0.52 1.08 -0.14 2.72 1.81 -0.27 -4.96 118.95 118.67 2dka s ARG 364 Ca 0.08 -0.63 0.00 0.00 -1.72 0.00 0.00 55.73 53.46 2dka s ARG 364 Cb -0.08 -1.07 -0.01 0.00 -0.45 0.00 0.00 34.95 33.35 2dka s ARG 364 CO -0.01 0.28 -0.15 0.00 -0.68 0.00 0.00 175.30 174.75 2dka s THR 366 N 0.62 1.11 0.99 0.00 -4.23 -0.21 -4.83 115.64 109.10 2dka s THR 366 Ca -0.08 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.29 2dka s THR 366 Cb -0.16 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.27 2dka s THR 366 CO 0.03 -0.14 1.09 -2.84 -0.54 0.00 0.00 174.62 172.21 2dka s PRO 367 N -3.88 0.51 0.72 3.99 0.02 -1.26 -4.24 135.00 130.86 2dka s PRO 367 Ca 0.33 1.01 -0.14 0.00 0.02 0.00 0.00 61.00 62.22 2dka s PRO 367 Cb 0.07 -1.71 0.04 0.00 0.02 0.00 0.00 34.50 32.92 2dka s PRO 367 CO 0.13 -2.81 1.16 0.99 -0.33 0.00 0.00 177.00 176.14 2dka s THR 368 N -2.71 2.67 0.00 0.99 2.01 -1.26 -4.51 115.64 112.82 2dka s THR 368 Ca 0.66 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.96 2dka s THR 368 Cb -0.21 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.49 2dka s THR 368 CO 0.60 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 2dka n GLY 369 N -0.04 2.60 0.43 4.40 0.00 -1.26 -4.76 105.19 106.57 2dka n GLY 369 Ca 0.12 -1.20 0.24 0.00 0.00 0.00 0.00 46.02 45.18 2dka n GLY 369 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2dka h VAL 370 N 0.00 0.58 -0.64 1.61 -1.51 -1.98 -1.30 116.25 113.02 2dka h VAL 370 Ca 0.00 -0.10 0.03 0.00 -1.23 0.00 0.00 66.70 65.40 2dka h VAL 370 Cb 0.00 0.27 -0.04 0.00 -2.13 0.00 0.00 31.29 29.39 2dka h VAL 370 CO 0.00 0.05 0.39 0.50 -1.23 0.00 0.00 177.57 177.28 2dka h LYS 371 N 0.28 0.73 -0.22 5.19 3.64 -1.96 0.51 116.57 124.75 2dka h LYS 371 Ca 0.50 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.69 2dka h LYS 371 Cb 1.47 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2dka h LYS 371 CO -0.16 0.48 -0.44 0.45 -2.27 0.00 0.00 179.45 177.52 2dka h HIS 372 N 0.75 0.86 -0.34 1.91 3.86 -1.55 -2.17 115.15 118.47 2dka h HIS 372 Ca 0.26 -0.31 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 2dka h HIS 372 Cb 0.04 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2dka h HIS 372 CO -0.05 1.09 0.10 -0.07 0.86 0.00 0.00 177.93 179.85 2dka h LEU 373 N 0.39 0.51 -0.67 2.43 3.38 -1.09 -2.75 115.31 117.51 2dka h LEU 373 Ca 0.01 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2dka h LEU 373 Cb 1.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2dka h LEU 373 CO 0.10 0.60 0.17 -0.74 0.09 0.00 0.00 178.44 178.66 2dka h HIS 374 N 0.40 1.11 -0.53 1.13 2.76 -0.03 -1.35 115.15 118.64 2dka h HIS 374 Ca 0.11 -0.13 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 2dka h HIS 374 Cb 0.27 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 2dka h HIS 374 CO 0.01 0.91 0.29 1.25 -1.30 0.00 0.00 177.93 179.09 2dka h HIS 375 N 0.99 0.53 -0.16 5.26 -0.00 -1.29 -2.08 115.15 118.40 2dka h HIS 375 Ca 0.21 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.44 2dka h HIS 375 Cb 0.35 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 2dka h HIS 375 CO 0.03 0.27 -0.58 1.49 -0.00 0.00 0.00 177.93 179.14 2dka h GLU 376 N 0.55 0.50 -0.15 5.26 4.57 -1.35 -3.01 114.58 120.96 2dka h GLU 376 Ca 0.23 -0.33 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2dka h GLU 376 Cb 0.12 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2dka h GLU 376 CO -0.15 0.94 0.10 0.00 -1.18 0.00 0.00 179.01 178.72 2dka h ALA 377 N 0.99 2.04 0.00 2.92 0.00 -0.63 -0.71 119.26 123.87 2dka h ALA 377 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dka h ALA 377 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2dka h ALA 377 CO 0.11 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.68 2dka n GLU 378 N -4.51 0.15 0.00 0.00 1.02 -0.84 -2.32 120.64 114.14 2dka n GLU 378 Ca 0.00 0.47 0.06 0.00 -0.02 0.00 0.00 57.16 57.67 2dka n GLU 378 Cb 0.17 -1.84 0.38 0.00 -0.02 0.00 0.00 31.44 30.14 2dka n GLU 378 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2dka n ASN 379 N -2.12 0.00 -4.31 1.62 3.02 -0.27 -4.79 115.26 108.40 2dka n ASN 379 Ca 0.01 -1.39 -0.17 0.00 -0.03 0.00 0.00 54.58 53.00 2dka n ASN 379 Cb 0.16 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 2dka n ASN 379 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2dka s PHE 380 N -2.00 1.55 0.14 3.10 0.40 -0.98 -5.04 117.98 115.15 2dka s PHE 380 Ca 0.19 -0.69 -0.14 0.00 -0.60 0.00 0.00 56.93 55.69 2dka s PHE 380 Cb 0.09 -0.77 0.01 0.00 0.51 0.00 0.00 43.02 42.85 2dka s PHE 380 CO 0.15 0.21 1.63 -0.44 0.70 0.00 0.00 175.22 177.47 2dka h ASP 381 N 2.61 0.70 -3.27 1.36 3.45 -1.84 -3.40 116.42 116.03 2dka h ASP 381 Ca -0.38 -0.25 -0.53 0.00 0.43 0.00 0.00 57.03 56.31 2dka h ASP 381 Cb 1.21 -0.19 -0.38 0.00 -0.56 0.00 0.00 39.33 39.42 2dka h ASP 381 CO 0.63 0.77 -0.79 -0.63 -1.57 0.00 0.00 179.24 177.66 2dka s ILE 382 N -5.24 0.93 -0.22 0.35 1.01 -1.03 0.25 121.20 117.25 2dka s ILE 382 Ca -0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 2dka s ILE 382 Cb 0.11 -1.09 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 2dka s ILE 382 CO 0.79 0.18 -0.04 -0.83 0.00 0.00 0.00 174.94 175.03 2dka s GLY 383 N 1.72 1.61 -0.29 6.18 0.00 0.23 -1.72 107.32 115.05 2dka s GLY 383 Ca 0.02 -1.20 -0.13 0.00 0.00 0.00 0.00 44.72 43.41 2dka s GLY 383 CO -0.07 0.44 0.27 0.14 0.00 0.00 0.00 173.10 173.87 2dka s VAL 384 N 1.46 5.25 -0.05 1.40 1.01 -0.01 -1.08 120.40 128.38 2dka s VAL 384 Ca 0.05 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 2dka s VAL 384 Cb -0.14 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2dka s VAL 384 CO -0.04 0.16 0.03 -0.72 0.00 0.00 0.00 175.10 174.53 2dka s TYR 385 N 1.87 0.35 0.01 5.22 -0.85 -0.55 -0.26 117.35 123.14 2dka s TYR 385 Ca 0.10 0.04 -0.00 0.00 -0.52 0.00 0.00 57.07 56.69 2dka s TYR 385 Cb -0.16 -0.60 -0.01 0.00 0.38 0.00 0.00 41.96 41.57 2dka s TYR 385 CO 0.11 -0.24 -0.01 -0.06 -1.52 0.00 0.00 175.55 173.83 2dka s PHE 386 N 1.89 0.16 0.23 -3.49 0.40 -1.23 -0.76 117.98 115.19 2dka s PHE 386 Ca 0.02 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 2dka s PHE 386 Cb -0.12 -0.12 -0.03 0.00 0.51 0.00 0.00 43.02 43.25 2dka s PHE 386 CO -0.04 -0.13 0.37 -1.21 0.70 0.00 0.00 175.22 174.92 2dka s GLU 387 N -0.96 3.46 0.44 0.44 2.02 0.58 -4.62 118.70 120.05 2dka s GLU 387 Ca -0.11 -0.59 0.15 0.00 0.02 0.00 0.00 54.97 54.45 2dka s GLU 387 Cb -0.07 -2.87 1.06 0.00 0.10 0.00 0.00 34.13 32.36 2dka s GLU 387 CO -0.01 0.41 1.96 0.00 0.02 0.00 0.00 175.26 177.64 2dka h ALA 388 N 1.48 2.09 0.00 5.21 0.00 -1.88 -1.14 119.26 125.01 2dka h ALA 388 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2dka h ALA 388 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2dka h ALA 388 CO 0.64 -0.25 0.00 0.27 0.00 0.00 0.00 179.25 179.91 2dka n ASN 389 N -4.47 0.00 0.00 0.00 0.23 -1.26 -1.42 115.26 108.34 2dka n ASN 389 Ca 0.12 -0.40 0.00 0.00 -0.53 0.00 0.00 54.58 53.77 2dka n ASN 389 Cb 0.45 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 2dka n ASN 389 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dka n GLY 390 N -0.15 0.69 3.73 4.83 0.00 -0.43 -4.56 105.19 109.29 2dka n GLY 390 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2dka n GLY 390 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dka s HIS 391 N -2.33 3.51 0.00 1.61 5.04 -1.25 -2.34 115.29 119.52 2dka s HIS 391 Ca 0.00 0.84 0.00 0.00 -1.54 0.00 0.00 55.06 54.36 2dka s HIS 391 Cb 0.00 -2.50 0.00 0.00 0.04 0.00 0.00 32.58 30.12 2dka s HIS 391 CO 0.00 0.20 0.00 0.41 -2.34 0.00 0.00 174.74 173.01 2dka n GLY 392 N 3.22 0.17 0.00 1.59 0.00 -1.26 -0.31 105.19 108.60 2dka n GLY 392 Ca -0.08 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2dka n GLY 392 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dka n THR 393 N -1.18 0.00 -4.94 2.61 5.66 0.06 -4.11 114.28 112.38 2dka n THR 393 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 2dka n THR 393 Cb 0.00 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.61 2dka n THR 393 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2dka s VAL 394 N -2.73 1.64 0.12 1.08 1.01 -1.26 -1.49 120.40 118.77 2dka s VAL 394 Ca 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.29 2dka s VAL 394 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2dka s VAL 394 CO 0.00 0.47 -0.22 0.27 0.00 0.00 0.00 175.10 175.61 2dka s ILE 395 N 0.36 2.56 -0.09 2.22 -4.36 -0.24 -4.29 121.20 117.36 2dka s ILE 395 Ca -0.14 -1.61 0.03 0.00 -0.26 0.00 0.00 60.65 58.67 2dka s ILE 395 Cb -0.16 -2.15 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 2dka s ILE 395 CO 0.06 0.11 -0.18 -0.36 0.24 0.00 0.00 174.94 174.80 2dka s PHE 396 N -1.09 2.64 0.23 1.37 0.40 -1.26 -0.60 117.98 119.67 2dka s PHE 396 Ca 0.16 -0.63 -0.31 0.00 -0.60 0.00 0.00 56.93 55.55 2dka s PHE 396 Cb -0.10 -1.71 -0.11 0.00 0.51 0.00 0.00 43.02 41.61 2dka s PHE 396 CO 0.08 -0.16 1.58 1.21 0.70 0.00 0.00 175.22 178.63 2dka s ASN 397 N -0.02 6.49 0.23 1.36 3.84 0.14 -4.81 114.94 122.17 2dka s ASN 397 Ca -0.05 2.78 -0.08 0.00 0.21 0.00 0.00 52.86 55.72 2dka s ASN 397 Cb -0.14 -2.61 0.40 0.00 -0.55 0.00 0.00 41.25 38.34 2dka s ASN 397 CO 0.05 -0.86 1.65 -0.65 -2.79 0.00 0.00 177.10 174.50 2dka h PRO 398 N 5.86 0.13 -0.70 0.43 0.11 -1.96 0.99 132.00 136.85 2dka h PRO 398 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2dka h PRO 398 Cb 1.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2dka h PRO 398 CO 0.86 0.09 0.28 0.93 -0.21 0.00 0.00 178.00 179.95 2dka h GLU 399 N 0.14 1.05 -0.52 1.05 3.07 -1.97 -1.78 114.58 115.62 2dka h GLU 399 Ca 0.38 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 2dka h GLU 399 Cb 0.66 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 2dka h GLU 399 CO -0.59 0.87 0.19 0.00 -1.40 0.00 0.00 179.01 178.07 2dka h ALA 400 N 1.13 0.67 -0.60 3.43 0.00 -1.43 -1.94 119.26 120.53 2dka h ALA 400 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2dka h ALA 400 Cb 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2dka h ALA 400 CO -0.02 0.31 0.31 1.49 0.00 0.00 0.00 179.25 181.33 2dka h GLU 401 N 0.70 0.83 -0.39 0.00 4.81 -0.57 -0.72 114.58 119.25 2dka h GLU 401 Ca 0.17 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2dka h GLU 401 Cb 0.23 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2dka h GLU 401 CO -0.01 0.63 0.02 -0.22 -0.73 0.00 0.00 179.01 178.70 2dka h LYS 402 N 0.84 0.68 -0.83 1.92 3.64 -0.96 -1.41 116.57 120.44 2dka h LYS 402 Ca 0.21 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2dka h LYS 402 Cb 0.05 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2dka h LYS 402 CO -0.03 0.76 0.54 0.87 -2.27 0.00 0.00 179.45 179.31 2dka h LYS 403 N 0.51 1.10 -0.44 1.90 1.57 -0.70 0.21 116.57 120.71 2dka h LYS 403 Ca 0.11 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2dka h LYS 403 Cb 0.44 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2dka h LYS 403 CO 0.02 0.74 0.00 0.82 -0.57 0.00 0.00 179.45 180.46 2dka h ILE 404 N 1.13 1.26 0.00 1.86 2.04 -0.82 -0.81 117.51 122.17 2dka h ILE 404 Ca 0.30 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2dka h ILE 404 Cb -0.11 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2dka h ILE 404 CO -0.06 0.36 0.00 -0.26 0.00 0.00 0.00 178.15 178.18 2dka h PHE 405 N 0.63 0.00 -0.00 1.37 -1.00 -0.77 -3.04 116.94 114.12 2dka h PHE 405 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 2dka h PHE 405 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 2dka h PHE 405 CO 0.04 0.00 -0.47 -0.25 -1.61 0.00 0.00 178.31 176.02 2dka n ASP 406 N -3.06 0.64 -4.69 2.17 8.00 0.69 -4.91 116.55 115.39 2dka n ASP 406 Ca 0.03 -0.43 -0.42 0.00 0.71 0.00 0.00 54.79 54.68 2dka n ASP 406 Cb 0.47 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 2dka n ASP 406 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2dka s TYR 407 N -2.89 2.37 -0.38 1.24 6.14 -0.33 -4.99 117.35 118.51 2dka s TYR 407 Ca 0.14 0.24 -0.00 0.00 0.64 0.00 0.00 57.07 58.08 2dka s TYR 407 Cb 0.18 -4.02 0.11 0.00 0.42 0.00 0.00 41.96 38.64 2dka s TYR 407 CO 0.67 -4.13 0.14 -1.59 0.64 0.00 0.00 175.55 171.28 2dka s LYS 408 N 2.60 1.81 0.82 4.97 0.00 -1.26 -5.05 119.74 123.63 2dka s LYS 408 Ca 0.76 -1.83 -0.11 0.00 0.00 0.00 0.00 55.97 54.78 2dka s LYS 408 Cb -0.42 -3.43 0.09 0.00 0.00 0.00 0.00 37.83 34.07 2dka s LYS 408 CO 0.33 -1.01 1.12 -1.25 0.00 0.00 0.00 175.35 174.54 2dka s PRO 409 N 1.05 1.79 -0.15 1.78 0.04 -1.26 -5.03 135.00 133.22 2dka s PRO 409 Ca 0.09 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 2dka s PRO 409 Cb -0.21 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2dka s PRO 409 CO -0.06 -2.02 -0.23 0.09 0.04 0.00 0.00 177.00 174.82 2dka n ASN 410 N -3.67 1.84 -4.96 6.66 4.13 -1.26 -4.92 115.26 113.07 2dka n ASN 410 Ca 0.11 0.54 -0.22 0.00 1.68 0.00 0.00 54.58 56.69 2dka n ASN 410 Cb 0.52 -0.83 0.04 0.00 -1.54 0.00 0.00 39.78 37.97 2dka n ASN 410 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2dka s ASN 411 N -5.78 5.30 0.24 6.41 4.22 -1.26 -4.99 114.94 119.08 2dka s ASN 411 Ca -0.19 0.09 0.05 0.00 -2.14 0.00 0.00 52.86 50.66 2dka s ASN 411 Cb 0.03 -0.99 0.27 0.00 1.28 0.00 0.00 41.25 41.83 2dka s ASN 411 CO 0.28 -1.14 1.57 0.44 -2.04 0.00 0.00 177.10 176.22 2dka h ASP 412 N 0.03 0.27 -0.56 3.54 3.45 -1.98 -2.08 116.42 119.09 2dka h ASP 412 Ca -0.43 -0.15 -0.09 0.00 0.43 0.00 0.00 57.03 56.80 2dka h ASP 412 Cb 1.29 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.96 2dka h ASP 412 CO 0.54 0.79 0.03 0.78 -1.57 0.00 0.00 179.24 179.81 2dka h ASN 413 N 0.18 0.97 0.20 6.45 4.21 -1.95 0.14 115.58 125.78 2dka h ASN 413 Ca -0.00 -0.25 -0.14 0.00 1.21 0.00 0.00 56.30 57.11 2dka h ASN 413 Cb 1.08 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 38.01 2dka h ASN 413 CO 0.09 1.01 -0.51 -0.08 -1.29 0.00 0.00 177.43 176.65 2dka h GLU 414 N 0.93 0.36 -0.38 0.81 4.81 -1.70 -1.86 114.58 117.56 2dka h GLU 414 Ca 0.17 -0.21 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 2dka h GLU 414 Cb 0.50 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2dka h GLU 414 CO 0.02 0.79 -0.40 0.00 -0.73 0.00 0.00 179.01 178.69 2dka h ALA 415 N 1.17 0.57 -0.46 2.92 0.00 -0.88 -2.10 119.26 120.49 2dka h ALA 415 Ca 0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2dka h ALA 415 Cb 1.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2dka h ALA 415 CO 0.09 0.68 -0.04 0.87 0.00 0.00 0.00 179.25 180.85 2dka h LYS 416 N 0.76 0.83 -0.56 0.00 1.57 -0.60 -1.68 116.57 116.89 2dka h LYS 416 Ca 0.06 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2dka h LYS 416 Cb 1.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 2dka h LYS 416 CO 0.10 0.91 0.30 0.00 -0.57 0.00 0.00 179.45 180.18 2dka h ALA 417 N 0.90 0.72 -0.28 3.86 0.00 -1.27 -0.49 119.26 122.70 2dka h ALA 417 Ca 0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2dka h ALA 417 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dka h ALA 417 CO 0.03 0.26 -0.33 0.97 0.00 0.00 0.00 179.25 180.17 2dka h ILE 418 N 0.76 1.29 -0.58 0.00 6.09 -1.32 -0.92 117.51 122.84 2dka h ILE 418 Ca 0.20 -1.46 -0.09 0.00 -1.37 0.00 0.00 64.86 62.13 2dka h ILE 418 Cb 0.07 1.43 -0.02 0.00 0.47 0.00 0.00 36.82 38.77 2dka h ILE 418 CO -0.03 0.47 -0.01 0.50 -3.07 0.00 0.00 178.15 176.01 2dka h LYS 419 N 0.51 1.01 -0.47 2.19 3.64 -0.97 0.12 116.57 122.60 2dka h LYS 419 Ca 0.06 -0.31 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 2dka h LYS 419 Cb 0.82 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2dka h LYS 419 CO 0.07 1.00 -0.08 0.28 -2.27 0.00 0.00 179.45 178.45 2dka h VAL 420 N 0.92 1.27 -0.55 2.00 2.07 -0.82 -1.50 116.25 119.64 2dka h VAL 420 Ca 0.16 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 2dka h VAL 420 Cb 0.55 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2dka h VAL 420 CO 0.03 0.41 0.06 0.25 0.02 0.00 0.00 177.57 178.34 2dka h LEU 421 N 0.73 0.90 0.23 2.57 5.85 -0.87 -0.25 115.31 124.47 2dka h LEU 421 Ca 0.12 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2dka h LEU 421 Cb 0.62 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2dka h LEU 421 CO 0.04 0.95 -0.14 1.56 -0.34 0.00 0.00 178.44 180.50 2dka h GLN 422 N 0.82 -0.35 -0.09 1.25 4.20 -0.64 -2.27 115.11 118.03 2dka h GLN 422 Ca 0.16 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 2dka h GLN 422 Cb 0.45 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2dka h GLN 422 CO 0.02 -0.24 -0.15 -0.91 -0.67 0.00 0.00 178.83 176.88 2dka h ASN 423 N -0.37 0.13 -0.71 1.46 2.35 -1.17 -2.29 115.58 114.98 2dka h ASN 423 Ca -0.02 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 2dka h ASN 423 Cb 0.31 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 2dka h ASN 423 CO 0.02 0.30 0.24 0.15 -1.65 0.00 0.00 177.43 176.49 2dka h PHE 424 N 0.13 1.14 0.00 1.19 3.57 -0.70 0.14 116.94 122.41 2dka h PHE 424 Ca 0.03 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 2dka h PHE 424 Cb 0.35 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 2dka h PHE 424 CO 0.00 0.90 -0.01 0.66 -2.23 0.00 0.00 178.31 177.63 2dka h SER 425 N 1.05 0.00 0.35 0.41 4.64 -0.84 -0.70 113.55 118.46 2dka h SER 425 Ca 0.23 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.31 2dka h SER 425 Cb 0.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.33 2dka h SER 425 CO -0.01 0.01 -1.86 0.00 -0.87 0.00 0.00 176.83 174.09 2dka n GLN 426 N -3.13 0.65 -0.05 4.77 1.13 -0.58 -4.45 117.38 115.72 2dka n GLN 426 Ca -0.02 0.12 -0.13 0.00 -1.94 0.00 0.00 57.00 55.03 2dka n GLN 426 Cb 0.16 -1.68 -0.11 0.00 0.11 0.00 0.00 30.24 28.71 2dka n GLN 426 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2dka h LEU 427 N 0.00 -0.01 -9.86 1.08 5.85 0.01 -3.44 115.31 108.94 2dka h LEU 427 Ca -0.30 -0.82 -0.52 0.00 0.84 0.00 0.00 57.88 57.08 2dka h LEU 427 Cb 1.84 0.00 0.06 0.00 0.37 0.00 0.00 40.66 42.93 2dka h LEU 427 CO 0.04 0.85 0.64 -0.51 -0.34 0.00 0.00 178.44 179.12 2dka s ILE 428 N -2.62 2.77 -0.77 4.05 1.10 -0.34 -4.84 121.20 120.56 2dka s ILE 428 Ca -0.17 0.76 -0.26 0.00 -0.51 0.00 0.00 60.65 60.47 2dka s ILE 428 Cb -0.02 -3.48 0.04 0.00 0.15 0.00 0.00 42.46 39.15 2dka s ILE 428 CO 0.64 0.17 1.26 0.21 -2.11 0.00 0.00 174.94 175.11 2dka s ASN 429 N -0.40 6.21 0.18 4.50 3.84 -1.26 -4.86 114.94 123.14 2dka s ASN 429 Ca 0.50 -0.65 0.22 0.00 0.21 0.00 0.00 52.86 53.14 2dka s ASN 429 Cb -0.39 -2.54 0.89 0.00 -0.55 0.00 0.00 41.25 38.65 2dka s ASN 429 CO 0.51 -1.75 1.67 0.00 -2.79 0.00 0.00 177.10 174.75 2dka n GLN 430 N 9.09 0.15 0.05 0.43 6.02 -1.26 -3.52 117.38 128.34 2dka n GLN 430 Ca 0.06 0.33 -0.20 0.00 -0.01 0.00 0.00 57.00 57.18 2dka n GLN 430 Cb 0.49 -1.75 -0.14 0.00 1.02 0.00 0.00 30.24 29.85 2dka n GLN 430 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2dka h THR 431 N 0.00 1.47 -2.88 5.09 2.02 -1.90 -3.46 112.91 113.24 2dka h THR 431 Ca 0.00 -2.46 0.02 0.00 0.77 0.00 0.00 66.41 64.74 2dka h THR 431 Cb 0.39 3.05 -0.11 0.00 -1.74 0.00 0.00 68.15 69.74 2dka h THR 431 CO 0.00 0.70 0.26 0.54 0.37 0.00 0.00 175.52 177.39 2dka s VAL 432 N -2.62 0.00 0.19 3.16 0.11 -1.23 -4.77 120.40 115.23 2dka s VAL 432 Ca -0.13 -0.20 -0.33 0.00 -2.93 0.00 0.00 61.98 58.39 2dka s VAL 432 Cb 0.02 -1.22 -0.13 0.00 -1.53 0.00 0.00 36.38 33.52 2dka s VAL 432 CO 0.84 0.00 1.57 0.61 -3.33 0.00 0.00 175.10 174.80 2dka n GLY 433 N -0.38 1.15 2.64 6.54 0.00 -1.26 -4.73 105.19 109.15 2dka n GLY 433 Ca -0.13 0.61 -0.25 0.00 0.00 0.00 0.00 46.02 46.25 2dka n GLY 433 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dka s ASP 434 N 0.83 2.06 0.25 1.61 -1.08 -1.26 -4.66 116.67 114.41 2dka s ASP 434 Ca 0.76 -0.44 -0.06 0.00 -0.52 0.00 0.00 52.55 52.29 2dka s ASP 434 Cb -0.64 -0.25 0.29 0.00 -1.46 0.00 0.00 42.92 40.86 2dka s ASP 434 CO 0.39 -0.32 1.90 0.00 0.52 0.00 0.00 175.17 177.67 2dka h ALA 435 N 8.41 1.25 -0.26 3.66 0.00 -1.24 0.97 119.26 132.05 2dka h ALA 435 Ca -0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2dka h ALA 435 Cb 1.14 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2dka h ALA 435 CO 0.26 0.53 -0.06 0.82 0.00 0.00 0.00 179.25 180.80 2dka h ILE 436 N 1.23 1.28 -0.43 0.00 2.04 -1.94 -0.48 117.51 119.22 2dka h ILE 436 Ca 0.37 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 2dka h ILE 436 Cb -0.04 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2dka h ILE 436 CO -0.11 0.34 0.14 -1.28 0.00 0.00 0.00 178.15 177.24 2dka h SER 437 N 0.25 0.62 -0.78 1.72 0.87 -1.83 -1.96 113.55 112.43 2dka h SER 437 Ca 0.07 -0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.45 2dka h SER 437 Cb 0.53 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 2dka h SER 437 CO 0.03 0.65 0.51 0.44 -0.53 0.00 0.00 176.83 177.92 2dka h ASP 438 N 0.55 0.86 -0.29 6.23 3.32 -0.72 -0.74 116.42 125.64 2dka h ASP 438 Ca 0.14 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2dka h ASP 438 Cb 0.25 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2dka h ASP 438 CO -0.01 0.61 0.12 0.25 -1.72 0.00 0.00 179.24 178.50 2dka h LEU 439 N 1.01 0.39 -0.71 1.55 5.85 -0.81 0.13 115.31 122.72 2dka h LEU 439 Ca 0.30 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2dka h LEU 439 Cb -0.06 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2dka h LEU 439 CO -0.08 0.43 0.39 -0.07 -0.34 0.00 0.00 178.44 178.77 2dka h LEU 440 N 0.32 0.88 -0.57 2.25 3.38 -1.08 -0.36 115.31 120.13 2dka h LEU 440 Ca 0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dka h LEU 440 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2dka h LEU 440 CO -0.01 0.72 0.35 0.00 0.09 0.00 0.00 178.44 179.60 2dka h ALA 441 N 1.20 0.72 -0.07 1.53 0.00 -0.81 0.59 119.26 122.41 2dka h ALA 441 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dka h ALA 441 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2dka h ALA 441 CO -0.04 0.19 0.04 0.28 0.00 0.00 0.00 179.25 179.72 2dka h VAL 442 N 0.77 1.00 -0.36 0.00 2.07 -0.25 -0.03 116.25 119.45 2dka h VAL 442 Ca 0.20 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.71 2dka h VAL 442 Cb -0.04 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2dka h VAL 442 CO -0.04 0.02 0.21 -0.07 0.02 0.00 0.00 177.57 177.71 2dka h LEU 443 N 0.08 0.34 -0.89 2.57 3.38 -0.64 -0.56 115.31 119.59 2dka h LEU 443 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2dka h LEU 443 Cb -0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2dka h LEU 443 CO -0.02 0.25 -0.34 -0.29 0.09 0.00 0.00 178.44 178.13 2dka h ILE 444 N 0.43 1.29 -0.04 1.22 6.09 -0.76 -2.15 117.51 123.58 2dka h ILE 444 Ca 0.14 -1.41 -0.02 0.00 -1.37 0.00 0.00 64.86 62.21 2dka h ILE 444 Cb 0.00 1.51 -0.00 0.00 0.47 0.00 0.00 36.82 38.80 2dka h ILE 444 CO -0.07 0.44 -0.05 0.58 -3.07 0.00 0.00 178.15 175.98 2dka h VAL 445 N 0.35 1.39 0.00 2.19 2.07 -0.60 -0.21 116.25 121.44 2dka h VAL 445 Ca 0.04 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 2dka h VAL 445 Cb 0.76 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2dka h VAL 445 CO 0.06 0.34 -0.22 -0.37 0.02 0.00 0.00 177.57 177.40 2dka h VAL 446 N -0.37 1.15 -0.15 2.57 -1.51 -1.12 -0.27 116.25 116.55 2dka h VAL 446 Ca 0.01 -0.75 -0.07 0.00 -1.23 0.00 0.00 66.70 64.65 2dka h VAL 446 Cb 0.57 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2dka h VAL 446 CO 0.01 0.21 -0.18 -0.74 -1.23 0.00 0.00 177.57 175.65 2dka h HIS 447 N 0.00 0.47 -0.50 5.19 6.17 -1.32 0.25 115.15 125.40 2dka h HIS 447 Ca -0.00 -0.15 -0.03 0.00 0.71 0.00 0.00 60.37 60.90 2dka h HIS 447 Cb 0.39 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.20 2dka h HIS 447 CO 0.00 0.79 0.19 -0.92 0.71 0.00 0.00 177.93 178.70 2dka h TYR 448 N 0.00 0.77 -0.01 5.26 3.20 -0.61 -2.41 116.97 123.18 2dka h TYR 448 Ca 0.02 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2dka h TYR 448 Cb 0.73 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.77 2dka h TYR 448 CO 0.09 0.65 -0.03 1.28 -1.64 0.00 0.00 178.16 178.51 2dka n LEU 449 N -4.54 0.74 -3.73 2.82 4.77 -0.15 -4.94 117.00 111.97 2dka n LEU 449 Ca 0.02 -0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 55.55 2dka n LEU 449 Cb 0.16 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2dka n LEU 449 CO 0.38 0.13 -0.10 0.29 -1.33 0.00 0.00 177.39 176.76 2dka n LYS 450 N -0.49 -4.01 -4.26 3.23 5.02 0.19 -4.98 118.16 112.87 2dka n LYS 450 Ca 0.20 0.57 -0.35 0.00 -2.02 0.00 0.00 58.31 56.71 2dka n LYS 450 Cb 0.25 -4.95 -0.10 0.00 -0.02 0.00 0.00 35.03 30.21 2dka n LYS 450 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dka s LEU 451 N -6.65 3.60 0.74 -0.35 1.43 0.64 -5.02 118.68 113.07 2dka s LEU 451 Ca 0.08 0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.17 2dka s LEU 451 Cb -0.02 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.41 2dka s LEU 451 CO 0.83 0.27 1.07 -0.94 0.23 0.00 0.00 176.35 177.81 2dka s SER 452 N -0.24 4.64 0.34 2.29 1.04 -1.26 -4.76 113.70 115.75 2dka s SER 452 Ca 0.06 0.49 0.02 0.00 0.48 0.00 0.00 55.95 57.00 2dka s SER 452 Cb -0.12 -1.06 0.60 0.00 0.10 0.00 0.00 66.02 65.54 2dka s SER 452 CO 0.02 -1.73 1.95 -0.65 0.98 0.00 0.00 173.24 173.80 2dka h PRO 453 N -0.75 0.74 -0.10 4.02 0.11 -1.98 -2.09 132.00 131.94 2dka h PRO 453 Ca -0.44 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 65.43 2dka h PRO 453 Cb 1.31 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2dka h PRO 453 CO 0.60 0.57 -0.57 0.66 -0.21 0.00 0.00 178.00 179.05 2dka h SER 454 N 0.74 0.37 -0.31 -2.05 4.64 -1.92 -1.39 113.55 113.62 2dka h SER 454 Ca 0.18 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2dka h SER 454 Cb 0.08 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2dka h SER 454 CO -0.02 0.86 0.18 0.44 -0.87 0.00 0.00 176.83 177.41 2dka h ASP 455 N 0.25 0.39 -0.02 4.97 3.32 -1.77 0.94 116.42 124.50 2dka h ASP 455 Ca -0.00 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2dka h ASP 455 Cb 1.08 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 2dka h ASP 455 CO 0.09 0.36 0.01 -0.25 -1.72 0.00 0.00 179.24 177.73 2dka h TRP 456 N 0.39 0.03 0.00 4.55 7.01 -1.31 -2.66 115.95 123.95 2dka h TRP 456 Ca 0.11 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 2dka h TRP 456 Cb 0.05 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.10 2dka h TRP 456 CO -0.03 0.11 -0.06 0.22 -2.79 0.00 0.00 178.44 175.89 2dka h ASP 457 N -0.06 0.00 0.26 2.65 3.58 -1.01 -2.43 116.42 119.41 2dka h ASP 457 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2dka h ASP 457 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2dka h ASP 457 CO -0.00 0.06 -0.05 0.59 -2.88 0.00 0.00 179.24 176.95 2dka n ASN 458 N -4.00 0.41 -0.36 2.28 3.02 0.30 -4.00 115.26 112.91 2dka n ASN 458 Ca -0.03 -0.73 0.05 0.00 -0.03 0.00 0.00 54.58 53.85 2dka n ASN 458 Cb 0.14 -0.08 0.21 0.00 -0.61 0.00 0.00 39.78 39.45 2dka n ASN 458 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2dka h GLU 459 N 0.55 0.99 -3.28 3.52 4.39 -1.38 -3.43 114.58 115.95 2dka h GLU 459 Ca 0.00 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2dka h GLU 459 Cb 0.27 -0.22 -0.14 0.00 -0.10 0.00 0.00 28.75 28.56 2dka h GLU 459 CO 0.00 0.66 -0.08 1.52 -1.16 0.00 0.00 179.01 179.94 2dka s TYR 460 N -5.99 -0.22 -0.15 4.33 -0.85 -1.26 -5.08 117.35 108.13 2dka s TYR 460 Ca -0.12 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.43 2dka s TYR 460 Cb 0.21 0.24 -0.00 0.00 0.38 0.00 0.00 41.96 42.80 2dka s TYR 460 CO 0.81 -0.66 -0.16 0.99 -1.52 0.00 0.00 175.55 175.01 2dka s THR 461 N -3.38 2.64 0.55 -3.49 2.01 -1.26 -4.95 115.64 107.76 2dka s THR 461 Ca 0.00 -0.78 -0.21 0.00 0.31 0.00 0.00 61.69 61.01 2dka s THR 461 Cb 0.01 -2.11 -0.06 0.00 0.01 0.00 0.00 72.50 70.36 2dka s THR 461 CO -0.09 0.52 1.13 0.47 -0.69 0.00 0.00 174.62 175.96 2dka n ASP 462 N 3.99 1.61 -4.79 3.53 8.00 -1.26 -4.74 116.55 122.90 2dka n ASP 462 Ca -0.19 0.91 -0.37 0.00 0.71 0.00 0.00 54.79 55.85 2dka n ASP 462 Cb 0.52 -1.46 -0.06 0.00 -0.02 0.00 0.00 41.12 40.10 2dka n ASP 462 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dka s LEU 463 N -2.39 4.41 0.29 0.64 1.43 -1.26 -4.96 118.68 116.84 2dka s LEU 463 Ca 0.72 1.68 -0.28 0.00 -1.03 0.00 0.00 54.13 55.23 2dka s LEU 463 Cb -0.44 -3.74 -0.14 0.00 0.03 0.00 0.00 46.19 41.91 2dka s LEU 463 CO 0.49 0.03 1.04 -2.65 0.23 0.00 0.00 176.35 175.49 2dka n PRO 464 N 0.85 1.42 -3.83 1.29 -0.02 -1.06 -4.74 135.00 128.90 2dka n PRO 464 Ca -0.01 0.50 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 2dka n PRO 464 Cb 0.50 -1.89 -0.08 0.00 -0.02 0.00 0.00 33.50 32.01 2dka n PRO 464 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dka s ASN 465 N -0.52 -0.01 -0.10 2.55 2.20 -1.26 -1.59 114.94 116.21 2dka s ASN 465 Ca 0.59 -0.30 -0.06 0.00 -0.94 0.00 0.00 52.86 52.15 2dka s ASN 465 Cb -0.69 0.29 0.04 0.00 -2.00 0.00 0.00 41.25 38.89 2dka s ASN 465 CO 0.60 -0.54 0.25 -0.75 -2.94 0.00 0.00 177.10 173.71 2dka s LYS 466 N -2.39 0.23 -0.14 3.55 2.20 0.63 -4.99 119.74 118.85 2dka s LYS 466 Ca -0.06 0.48 0.02 0.00 -0.36 0.00 0.00 55.97 56.04 2dka s LYS 466 Cb -0.02 -0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.28 2dka s LYS 466 CO -0.03 -0.12 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.49 2dka s LEU 467 N 0.92 1.89 0.22 5.43 2.96 -1.26 -1.29 118.68 127.54 2dka s LEU 467 Ca -0.06 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 53.38 2dka s LEU 467 Cb -0.08 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.29 2dka s LEU 467 CO -0.06 0.02 -0.09 0.68 -1.32 0.00 0.00 176.35 175.58 2dka s VAL 468 N 1.07 1.49 -0.10 1.68 -7.23 -0.50 -4.99 120.40 111.82 2dka s VAL 468 Ca -0.03 -2.13 0.03 0.00 -1.81 0.00 0.00 61.98 58.03 2dka s VAL 468 Cb -0.14 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 2dka s VAL 468 CO -0.05 -0.50 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.30 2dka s LYS 469 N -3.72 3.09 0.00 4.82 2.20 -1.26 -0.74 119.74 124.13 2dka s LYS 469 Ca 0.24 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2dka s LYS 469 Cb 0.02 -2.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 2dka s LYS 469 CO 0.07 0.25 0.00 0.28 -0.36 0.00 0.00 175.35 175.59 2dka n VAL 470 N 3.38 0.00 0.00 4.02 0.31 0.58 -4.95 118.33 121.67 2dka n VAL 470 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2dka n VAL 470 Cb 0.53 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 2dka n VAL 470 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2dka n PHE 478 N -1.38 0.00 -5.08 3.52 3.01 -1.26 -0.19 117.46 116.08 2dka n PHE 478 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 2dka n PHE 478 Cb 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.31 2dka n PHE 478 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2dka s LYS 479 N -2.72 3.04 0.46 -1.08 1.02 -1.26 -4.61 119.74 114.59 2dka s LYS 479 Ca 0.00 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.21 2dka s LYS 479 Cb 0.00 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 2dka s LYS 479 CO 0.00 0.25 0.02 0.95 -0.92 0.00 0.00 175.35 175.65 2dka s THR 480 N 0.20 1.33 0.38 2.17 -4.23 -1.26 0.28 115.64 114.51 2dka s THR 480 Ca -0.12 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.31 2dka s THR 480 Cb -0.16 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.24 2dka s THR 480 CO 0.07 0.00 0.62 1.07 -0.54 0.00 0.00 174.62 175.84 2dka n THR 481 N -1.10 0.00 -3.44 3.99 5.66 -1.26 -4.83 114.28 113.30 2dka n THR 481 Ca -0.12 -1.48 -0.22 0.00 -3.05 0.00 0.00 64.05 59.18 2dka n THR 481 Cb 0.67 1.07 0.06 0.00 -1.55 0.00 0.00 70.33 70.57 2dka n THR 481 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2dka n ASN 482 N -1.58 -6.08 -2.85 1.09 4.05 -1.26 -2.10 115.26 106.54 2dka n ASN 482 Ca -0.03 -0.85 -0.21 0.00 0.45 0.00 0.00 54.58 53.94 2dka n ASN 482 Cb 0.60 -4.38 0.03 0.00 1.23 0.00 0.00 39.78 37.26 2dka n ASN 482 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2dka n ALA 483 N -3.65 -0.91 -2.09 5.20 0.00 -1.26 -2.16 120.51 115.63 2dka n ALA 483 Ca -0.08 0.27 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 2dka n ALA 483 Cb 0.61 -3.69 -0.04 0.00 0.00 0.00 0.00 19.45 16.32 2dka n ALA 483 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dka n GLU 484 N -3.84 -1.59 -1.94 0.00 1.02 -0.97 -4.36 120.64 108.96 2dka n GLU 484 Ca -0.11 1.11 -0.38 0.00 -0.02 0.00 0.00 57.16 57.75 2dka n GLU 484 Cb 0.62 -5.67 0.04 0.00 -0.02 0.00 0.00 31.44 26.41 2dka n GLU 484 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dka n ARG 485 N -2.77 2.83 -4.31 3.49 1.74 -0.89 -4.80 116.66 111.93 2dka n ARG 485 Ca -0.23 -3.62 -0.31 0.00 -0.77 0.00 0.00 57.85 52.92 2dka n ARG 485 Cb 0.69 -2.27 -0.10 0.00 -1.02 0.00 0.00 32.46 29.76 2dka n ARG 485 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dka s LEU 487 N -4.00 3.18 0.00 0.55 2.01 -1.26 -4.83 118.68 114.33 2dka s LEU 487 Ca 0.52 -0.24 0.00 0.00 0.01 0.00 0.00 54.13 54.43 2dka s LEU 487 Cb 0.44 -1.90 0.00 0.00 0.01 0.00 0.00 46.19 44.74 2dka s LEU 487 CO -0.37 0.22 0.83 0.52 1.01 0.00 0.00 176.35 178.57 2dka n VAL 488 N 1.06 0.67 -1.23 -1.59 0.31 0.14 -4.59 118.33 113.11 2dka n VAL 488 Ca -0.14 -0.83 -0.47 0.00 -0.01 0.00 0.00 64.34 62.90 2dka n VAL 488 Cb 0.52 0.67 -0.06 0.00 -0.91 0.00 0.00 33.84 34.07 2dka n VAL 488 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2dka n PRO 490 N -0.34 0.00 -1.89 5.55 -0.04 -1.26 -4.57 135.00 132.45 2dka n PRO 490 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2dka n PRO 490 Cb 0.18 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 2dka n PRO 490 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2dka s LYS 491 N -0.23 4.18 0.00 0.54 0.00 -1.26 -2.82 119.74 120.16 2dka s LYS 491 Ca 0.70 2.46 0.00 0.00 0.00 0.00 0.00 55.97 59.13 2dka s LYS 491 Cb -0.98 -3.03 0.00 0.00 0.00 0.00 0.00 37.83 33.82 2dka s LYS 491 CO 0.47 -0.48 0.00 0.41 0.00 0.00 0.00 175.35 175.75 2dka n GLY 492 N 1.30 3.03 0.37 0.59 0.00 -1.26 -4.87 105.19 104.34 2dka n GLY 492 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2dka n GLY 492 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2dka h MET 493 N 1.21 1.28 -0.74 1.61 -1.53 -1.87 -2.85 114.93 112.04 2dka h MET 493 Ca 0.00 -0.11 -0.00 0.00 -3.44 0.00 0.00 59.70 56.14 2dka h MET 493 Cb 0.00 -0.27 -0.04 0.00 -0.55 0.00 0.00 31.60 30.74 2dka h MET 493 CO 0.00 0.89 0.44 0.37 0.14 0.00 0.00 176.91 178.76 2dka h GLN 494 N 1.30 1.01 -0.02 0.39 5.75 -1.81 -1.71 115.11 120.03 2dka h GLN 494 Ca 0.34 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.71 2dka h GLN 494 Cb -0.06 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.27 2dka h GLN 494 CO -0.06 0.72 -0.18 -0.44 -2.65 0.00 0.00 178.83 176.21 2dka h ASP 495 N 1.02 0.02 -0.28 -0.69 5.19 -1.88 0.73 116.42 120.53 2dka h ASP 495 Ca 0.27 -0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.56 2dka h ASP 495 Cb -0.03 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 2dka h ASP 495 CO -0.05 0.20 -0.24 -0.33 -3.12 0.00 0.00 179.24 175.70 2dka h GLU 496 N 0.02 0.66 -0.36 3.56 5.08 -1.14 -1.70 114.58 120.70 2dka h GLU 496 Ca 0.00 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2dka h GLU 496 Cb 0.33 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2dka h GLU 496 CO 0.02 0.94 0.13 0.82 -1.00 0.00 0.00 179.01 179.92 2dka h ILE 497 N 0.39 1.20 -0.91 3.13 2.04 -0.64 -1.20 117.51 121.51 2dka h ILE 497 Ca 0.05 -0.62 0.10 0.00 1.00 0.00 0.00 64.86 65.38 2dka h ILE 497 Cb 0.80 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.75 2dka h ILE 497 CO 0.06 0.22 0.56 0.44 0.00 0.00 0.00 178.15 179.43 2dka h ASP 498 N 0.43 0.83 -0.32 1.72 3.45 -0.78 0.19 116.42 121.94 2dka h ASP 498 Ca 0.12 0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.57 2dka h ASP 498 Cb 0.21 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 2dka h ASP 498 CO -0.01 0.48 -0.00 0.11 -1.57 0.00 0.00 179.24 178.25 2dka h LYS 499 N 0.93 0.56 -0.57 3.56 1.57 -0.91 -1.67 116.57 120.04 2dka h LYS 499 Ca 0.43 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2dka h LYS 499 Cb 0.36 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2dka h LYS 499 CO -0.24 0.69 0.23 -0.07 -0.57 0.00 0.00 179.45 179.49 2dka h LEU 500 N 0.36 0.79 -0.66 2.94 3.38 -0.38 -3.05 115.31 118.69 2dka h LEU 500 Ca 0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2dka h LEU 500 Cb 0.44 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2dka h LEU 500 CO 0.02 0.75 0.27 0.58 0.09 0.00 0.00 178.44 180.14 2dka h VAL 501 N 0.79 1.24 0.00 1.22 2.07 -0.57 -2.77 116.25 118.22 2dka h VAL 501 Ca 0.19 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2dka h VAL 501 Cb 0.20 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2dka h VAL 501 CO -0.02 0.29 0.07 0.00 0.02 0.00 0.00 177.57 177.94 2dka h ALA 502 N 1.11 1.06 0.00 1.67 0.00 -1.18 -1.87 119.26 120.05 2dka h ALA 502 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2dka h ALA 502 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2dka h ALA 502 CO -0.02 -0.06 -0.19 1.96 0.00 0.00 0.00 179.25 180.94 2dka h GLN 503 N 0.00 0.00 -6.26 0.00 4.20 -1.54 -3.44 115.11 108.06 2dka h GLN 503 Ca 0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 2dka h GLN 503 Cb 0.14 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 27.62 2dka h GLN 503 CO 0.00 0.19 -0.88 0.71 -0.67 0.00 0.00 178.83 178.18 2dka s TYR 504 N -3.55 2.16 0.36 2.96 1.51 -0.70 -5.09 117.35 114.99 2dka s TYR 504 Ca 0.02 -0.45 -0.27 0.00 -1.01 0.00 0.00 57.07 55.35 2dka s TYR 504 Cb 0.09 -1.40 -0.09 0.00 -0.11 0.00 0.00 41.96 40.45 2dka s TYR 504 CO 0.63 -0.07 1.26 -1.25 -1.11 0.00 0.00 175.55 175.01 2dka s PRO 505 N -0.47 4.20 0.00 -1.71 0.04 -1.26 -1.65 135.00 134.15 2dka s PRO 505 Ca 0.07 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2dka s PRO 505 Cb -0.10 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2dka s PRO 505 CO -0.00 -0.27 0.00 0.09 0.04 0.00 0.00 177.00 176.86 2dka n ASN 506 N 0.47 -3.49 -4.76 6.66 5.03 -1.26 -2.24 115.26 115.67 2dka n ASN 506 Ca 0.02 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.06 2dka n ASN 506 Cb 0.44 -2.10 -0.02 0.00 -1.02 0.00 0.00 39.78 37.08 2dka n ASN 506 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2dka s GLY 507 N -2.00 2.80 -0.28 7.41 0.00 -0.66 -4.07 107.32 110.51 2dka s GLY 507 Ca 0.00 1.27 -0.16 0.00 0.00 0.00 0.00 44.72 45.83 2dka s GLY 507 CO 0.00 2.02 0.74 -1.60 0.00 0.00 0.00 173.10 174.26 2dka s ARG 508 N -1.33 0.64 -0.08 2.90 3.52 -0.71 -4.89 118.95 118.99 2dka s ARG 508 Ca 0.52 1.13 -0.15 0.00 -0.13 0.00 0.00 55.73 57.10 2dka s ARG 508 Cb -0.40 0.17 0.03 0.00 -1.56 0.00 0.00 34.95 33.19 2dka s ARG 508 CO 0.50 -0.14 0.38 0.45 -0.81 0.00 0.00 175.30 175.67 2dka s SER 509 N 1.66 -0.33 0.03 -2.12 0.15 -1.26 -1.48 113.70 110.35 2dka s SER 509 Ca -0.10 0.49 -0.14 0.00 0.70 0.00 0.00 55.95 56.90 2dka s SER 509 Cb -0.05 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.86 2dka s SER 509 CO -0.19 -0.30 0.30 0.72 1.20 0.00 0.00 173.24 174.97 2dka s PHE 510 N -0.54 -0.11 -0.03 3.44 -0.12 -0.94 -4.95 117.98 114.73 2dka s PHE 510 Ca -0.06 0.01 0.06 0.00 -0.05 0.00 0.00 56.93 56.89 2dka s PHE 510 Cb -0.04 0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.43 2dka s PHE 510 CO 0.03 -0.48 -0.21 0.08 -0.05 0.00 0.00 175.22 174.58 2dka s VAL 511 N -2.35 1.71 -0.10 -2.49 1.01 -1.26 -2.08 120.40 114.84 2dka s VAL 511 Ca -0.06 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 2dka s VAL 511 Cb -0.02 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.98 2dka s VAL 511 CO -0.02 0.48 0.46 0.00 0.00 0.00 0.00 175.10 176.02 2dka s ARG 512 N -0.34 0.68 0.55 2.72 1.70 -1.02 -4.73 118.95 118.52 2dka s ARG 512 Ca 0.04 0.31 -0.21 0.00 -0.47 0.00 0.00 55.73 55.40 2dka s ARG 512 Cb -0.10 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.55 2dka s ARG 512 CO 0.00 -0.15 1.26 0.00 -1.08 0.00 0.00 175.30 175.33 2dka s ALA 513 N -0.53 2.72 -0.02 7.88 0.00 -1.26 -0.91 121.76 129.64 2dka s ALA 513 Ca -0.06 1.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 2dka s ALA 513 Cb -0.03 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2dka s ALA 513 CO 0.03 -1.16 0.32 1.03 0.00 0.00 0.00 175.76 175.99 2dka h SER 514 N 1.30 -0.11 -2.09 0.00 0.87 -1.98 -3.45 113.55 108.10 2dka h SER 514 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2dka h SER 514 Cb 1.29 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2dka h SER 514 CO 0.57 0.05 -0.04 0.00 -0.53 0.00 0.00 176.83 176.87 2dka n ALA 519 N -2.26 -1.04 -2.45 6.23 0.00 -1.26 -5.09 120.51 114.63 2dka n ALA 519 Ca -0.02 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 2dka n ALA 519 Cb 0.05 -0.54 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 2dka n ALA 519 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dka s VAL 520 N -3.42 1.84 -0.17 0.00 -7.23 0.73 -4.93 120.40 107.22 2dka s VAL 520 Ca 0.00 -1.92 -0.07 0.00 -1.81 0.00 0.00 61.98 58.18 2dka s VAL 520 Cb 0.00 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2dka s VAL 520 CO 0.00 -0.30 0.07 -0.13 -0.31 0.00 0.00 175.10 174.42 2dka s ARG 521 N -2.78 3.87 -0.26 4.82 0.52 -0.09 -0.30 118.95 124.72 2dka s ARG 521 Ca 0.16 -0.32 -0.02 0.00 -0.52 0.00 0.00 55.73 55.03 2dka s ARG 521 Cb -0.06 -3.19 0.03 0.00 0.52 0.00 0.00 34.95 32.25 2dka s ARG 521 CO 0.07 0.35 -0.05 0.08 0.02 0.00 0.00 175.30 175.77 2dka s VAL 522 N 0.15 2.89 -0.04 3.52 1.01 0.08 -2.42 120.40 125.58 2dka s VAL 522 Ca 0.05 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 2dka s VAL 522 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2dka s VAL 522 CO 0.00 0.11 0.03 -0.47 0.00 0.00 0.00 175.10 174.77 2dka s TYR 523 N 1.30 3.19 -0.08 5.22 5.04 -0.88 -1.41 117.35 129.73 2dka s TYR 523 Ca -0.02 0.18 -0.16 0.00 -2.44 0.00 0.00 57.07 54.63 2dka s TYR 523 Cb -0.18 -1.75 0.04 0.00 0.35 0.00 0.00 41.96 40.42 2dka s TYR 523 CO -0.04 0.50 0.39 0.00 -1.34 0.00 0.00 175.55 175.07 2dka s ALA 524 N -1.04 -0.98 -0.01 3.97 0.00 -0.41 -2.22 121.76 121.07 2dka s ALA 524 Ca 0.18 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 2dka s ALA 524 Cb -0.12 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2dka s ALA 524 CO 0.08 -0.24 0.22 -1.83 0.00 0.00 0.00 175.76 174.00 2dka s GLU 525 N -0.60 0.55 0.30 0.00 -1.05 -0.55 -0.27 118.70 117.09 2dka s GLU 525 Ca -0.07 -0.25 -0.10 0.00 -0.15 0.00 0.00 54.97 54.40 2dka s GLU 525 Cb -0.04 0.24 0.04 0.00 -0.44 0.00 0.00 34.13 33.93 2dka s GLU 525 CO 0.03 -0.14 0.58 0.00 0.95 0.00 0.00 175.26 176.68 2dka n ALA 526 N 1.48 -1.22 -0.15 -0.84 0.00 -0.62 -1.74 120.51 117.43 2dka n ALA 526 Ca -0.21 -1.03 -0.10 0.00 0.00 0.00 0.00 53.44 52.10 2dka n ALA 526 Cb 0.56 0.82 -0.01 0.00 0.00 0.00 0.00 19.45 20.82 2dka n ALA 526 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2dka h ASP 527 N 1.54 0.66 -2.24 0.00 2.03 -1.69 -2.82 116.42 113.91 2dka h ASP 527 Ca -0.26 -0.25 -0.60 0.00 -0.73 0.00 0.00 57.03 55.19 2dka h ASP 527 Cb 0.96 -0.17 -0.14 0.00 -0.83 0.00 0.00 39.33 39.15 2dka h ASP 527 CO 0.33 0.74 -0.75 0.42 -1.03 0.00 0.00 179.24 178.95 2dka s THR 528 N -5.22 2.39 0.24 1.15 -4.23 -1.26 -4.44 115.64 104.26 2dka s THR 528 Ca -0.13 -2.36 -0.05 0.00 -1.18 0.00 0.00 61.69 57.96 2dka s THR 528 Cb 0.10 -2.34 0.17 0.00 1.34 0.00 0.00 72.50 71.78 2dka s THR 528 CO 0.78 -0.38 1.81 -0.61 -0.54 0.00 0.00 174.62 175.68 2dka h GLN 529 N 2.25 1.08 -0.67 3.99 5.75 -1.92 -1.92 115.11 123.67 2dka h GLN 529 Ca -0.40 -0.19 -0.06 0.00 -0.15 0.00 0.00 58.65 57.85 2dka h GLN 529 Cb 1.26 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 2dka h GLN 529 CO 0.62 0.88 0.17 -0.91 -2.65 0.00 0.00 178.83 176.94 2dka h ASN 530 N 1.06 1.02 -0.01 -0.69 2.35 -1.99 -1.83 115.58 115.48 2dka h ASN 530 Ca 0.25 -0.23 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 2dka h ASN 530 Cb 0.20 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2dka h ASN 530 CO -0.02 0.98 -0.33 0.78 -1.65 0.00 0.00 177.43 177.20 2dka h ASN 531 N 1.01 0.49 0.34 5.81 2.35 -1.89 -1.65 115.58 122.03 2dka h ASN 531 Ca 0.21 -0.19 -0.17 0.00 -0.55 0.00 0.00 56.30 55.60 2dka h ASN 531 Cb 0.36 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2dka h ASN 531 CO 0.00 0.79 -0.71 1.62 -1.65 0.00 0.00 177.43 177.48 2dka h VAL 532 N 0.41 1.40 -0.39 2.81 3.04 -1.21 1.00 116.25 123.31 2dka h VAL 532 Ca 0.05 -2.16 -0.03 0.00 -1.01 0.00 0.00 66.70 63.55 2dka h VAL 532 Cb 0.77 2.13 -0.02 0.00 -2.01 0.00 0.00 31.29 32.17 2dka h VAL 532 CO 0.06 0.64 0.14 -0.33 -1.01 0.00 0.00 177.57 177.07 2dka h GLU 533 N 0.22 0.59 -0.21 4.17 4.39 -1.14 0.21 114.58 122.81 2dka h GLU 533 Ca -0.02 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 2dka h GLU 533 Cb 1.28 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2dka h GLU 533 CO 0.12 0.59 -0.00 1.49 -1.16 0.00 0.00 179.01 180.04 2dka h GLU 534 N 0.48 0.38 -0.73 2.33 4.81 -1.18 -1.77 114.58 118.89 2dka h GLU 534 Ca 0.13 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2dka h GLU 534 Cb 0.23 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2dka h GLU 534 CO -0.01 0.57 0.37 1.25 -0.73 0.00 0.00 179.01 180.46 2dka h LEU 535 N 0.14 0.94 -0.75 1.64 5.85 -0.65 0.10 115.31 122.57 2dka h LEU 535 Ca 0.06 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 2dka h LEU 535 Cb 0.40 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2dka h LEU 535 CO 0.01 0.80 0.29 -1.28 -0.34 0.00 0.00 178.44 177.92 2dka h SER 536 N 1.02 1.05 -0.11 1.25 0.87 -0.51 -1.49 113.55 115.63 2dka h SER 536 Ca 0.25 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2dka h SER 536 Cb 0.09 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2dka h SER 536 CO -0.03 0.95 -0.01 0.11 -0.53 0.00 0.00 176.83 177.31 2dka h LYS 537 N 1.09 0.21 -0.53 2.24 6.56 -0.89 -0.78 116.57 124.48 2dka h LYS 537 Ca 0.25 -0.07 0.03 0.00 -1.06 0.00 0.00 60.65 59.79 2dka h LYS 537 Cb 0.23 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.84 2dka h LYS 537 CO -0.02 0.49 0.32 0.00 -2.06 0.00 0.00 179.45 178.17 2dka h ALA 538 N 0.72 0.68 -0.28 3.86 0.00 -0.84 0.49 119.26 123.89 2dka h ALA 538 Ca 0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2dka h ALA 538 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dka h ALA 538 CO 0.01 0.02 -0.25 0.28 0.00 0.00 0.00 179.25 179.31 2dka h VAL 539 N 0.63 1.30 -0.24 0.00 2.07 -1.27 -2.84 116.25 115.90 2dka h VAL 539 Ca 0.22 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 2dka h VAL 539 Cb 0.03 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2dka h VAL 539 CO -0.10 0.45 0.14 0.28 0.02 0.00 0.00 177.57 178.36 2dka h SER 540 N 0.40 0.27 -0.29 0.57 0.02 -0.81 -0.78 113.55 112.93 2dka h SER 540 Ca 0.05 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2dka h SER 540 Cb 0.81 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2dka h SER 540 CO 0.06 0.21 0.20 -0.08 -1.14 0.00 0.00 176.83 176.08 2dka h GLU 541 N 0.32 0.33 -0.13 3.45 4.57 -0.65 0.27 114.58 122.74 2dka h GLU 541 Ca 0.09 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2dka h GLU 541 Cb -0.02 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2dka h GLU 541 CO -0.02 0.22 -0.12 -0.07 -1.18 0.00 0.00 179.01 177.84 2dka h LEU 542 N 0.34 0.19 0.00 1.64 3.38 -1.09 -3.33 115.31 116.44 2dka h LEU 542 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dka h LEU 542 Cb 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2dka h LEU 542 CO -0.02 0.33 -0.71 1.33 0.09 0.00 0.00 178.44 179.46 2dka n VAL 543 N -4.30 0.00 0.04 1.22 0.24 -0.79 -5.16 118.33 109.59 2dka n VAL 543 Ca -0.01 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2dka n VAL 543 Cb 0.25 0.69 0.02 0.00 -1.47 0.00 0.00 33.84 33.33 2dka n VAL 543 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98