#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij3 n ASP 3 N 0.00 0.00 -0.03 0.00 5.68 -1.26 -2.36 116.55 118.58 3ij3 n ASP 3 Ca 0.00 -1.34 0.14 0.00 -0.50 0.00 0.00 54.79 53.09 3ij3 n ASP 3 Cb 0.00 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 40.56 3ij3 n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ij3 s TYR 5 N -2.77 2.65 -0.05 0.00 2.02 -1.00 -1.29 117.35 116.91 3ij3 s TYR 5 Ca 0.20 -0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 3ij3 s TYR 5 Cb 0.19 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 3ij3 s TYR 5 CO 0.53 0.52 -0.13 -0.51 -1.57 0.00 0.00 175.55 174.39 3ij3 s LEU 6 N -2.91 2.81 0.00 -1.29 1.43 0.14 -4.83 118.68 114.04 3ij3 s LEU 6 Ca 0.26 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 3ij3 s LEU 6 Cb -0.09 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3ij3 s LEU 6 CO 0.16 0.35 0.22 0.35 0.23 0.00 0.00 176.35 177.66 3ij3 n THR 7 N 2.29 0.00 -3.32 5.49 -2.24 -1.26 -0.81 114.28 114.44 3ij3 n THR 7 Ca -0.17 -0.42 -0.40 0.00 -2.27 0.00 0.00 64.05 60.78 3ij3 n THR 7 Cb 0.52 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 3ij3 n THR 7 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ij3 s GLU 8 N -1.24 3.76 0.23 -0.78 2.12 -1.26 -4.92 118.70 116.61 3ij3 s GLU 8 Ca 0.02 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.93 3ij3 s GLU 8 Cb 0.03 -3.75 -0.09 0.00 0.26 0.00 0.00 34.13 30.57 3ij3 s GLU 8 CO 0.14 -0.49 1.36 0.21 -0.54 0.00 0.00 175.26 175.94 3ij3 s LYS 9 N 2.22 4.34 0.04 4.30 2.20 -1.26 -5.03 119.74 126.55 3ij3 s LYS 9 Ca 0.16 2.16 -0.02 0.00 -0.36 0.00 0.00 55.97 57.92 3ij3 s LYS 9 Cb -0.16 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 3ij3 s LYS 9 CO 0.12 -0.30 -0.00 0.15 -0.36 0.00 0.00 175.35 174.95 3ij3 s LYS 10 N -0.41 0.51 0.00 4.03 1.02 -1.26 -5.06 119.74 118.57 3ij3 s LYS 10 Ca 0.57 -0.94 0.24 0.00 0.02 0.00 0.00 55.97 55.87 3ij3 s LYS 10 Cb -0.39 0.18 0.99 0.00 -0.52 0.00 0.00 37.83 38.10 3ij3 s LYS 10 CO 0.42 -0.10 1.70 1.63 -0.92 0.00 0.00 175.35 178.07 3ij3 n LYS 11 N 0.71 1.59 -0.38 1.68 4.76 -1.26 -4.19 118.16 121.07 3ij3 n LYS 11 Ca -0.18 -0.87 0.07 0.00 -2.87 0.00 0.00 58.31 54.45 3ij3 n LYS 11 Cb 0.59 -1.43 0.20 0.00 -1.84 0.00 0.00 35.03 32.54 3ij3 n LYS 11 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3ij3 n ASN 12 N 0.08 2.74 -4.81 4.39 0.23 -1.26 -5.04 115.26 111.58 3ij3 n ASN 12 Ca 0.18 -3.31 -0.33 0.00 -0.53 0.00 0.00 54.58 50.60 3ij3 n ASN 12 Cb 0.30 -0.51 0.01 0.00 -2.08 0.00 0.00 39.78 37.50 3ij3 n ASN 12 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 3ij3 s PHE 13 N -2.98 3.02 -0.26 -2.53 0.08 -1.26 -5.00 117.98 109.04 3ij3 s PHE 13 Ca 0.38 1.50 -0.24 0.00 0.12 0.00 0.00 56.93 58.69 3ij3 s PHE 13 Cb 0.33 -2.99 -0.00 0.00 -0.57 0.00 0.00 43.02 39.79 3ij3 s PHE 13 CO 0.03 -1.08 0.80 0.42 -0.10 0.00 0.00 175.22 175.29 3ij3 s ILE 14 N -2.50 4.83 0.33 0.64 1.01 -0.11 -4.81 121.20 120.59 3ij3 s ILE 14 Ca 0.63 1.42 -0.28 0.00 0.00 0.00 0.00 60.65 62.42 3ij3 s ILE 14 Cb -0.16 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 3ij3 s ILE 14 CO 0.38 -0.12 1.17 -2.16 0.00 0.00 0.00 174.94 174.21 3ij3 s PRO 15 N 2.86 4.38 -0.18 2.79 0.04 -1.26 -1.13 135.00 142.51 3ij3 s PRO 15 Ca 0.34 1.91 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 3ij3 s PRO 15 Cb -0.15 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 3ij3 s PRO 15 CO 0.09 -0.06 -0.08 0.42 0.04 0.00 0.00 177.00 177.41 3ij3 s ILE 16 N -1.25 3.26 -0.11 0.56 1.01 -0.59 -0.91 121.20 123.17 3ij3 s ILE 16 Ca 0.50 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3ij3 s ILE 16 Cb -0.33 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.72 3ij3 s ILE 16 CO 0.43 0.47 -0.16 -1.58 0.00 0.00 0.00 174.94 174.11 3ij3 s GLN 17 N 0.94 2.27 0.54 2.79 0.74 0.09 -4.36 119.66 122.66 3ij3 s GLN 17 Ca -0.01 -0.58 -0.19 0.00 0.05 0.00 0.00 55.36 54.63 3ij3 s GLN 17 Cb -0.15 -1.92 -0.06 0.00 1.10 0.00 0.00 33.01 31.98 3ij3 s GLN 17 CO 0.00 -0.06 1.10 -1.25 -0.55 0.00 0.00 175.29 174.53 3ij3 s PRO 18 N 0.97 3.43 -0.15 1.67 0.04 -1.26 -1.14 135.00 138.57 3ij3 s PRO 18 Ca -0.07 1.52 -0.14 0.00 0.04 0.00 0.00 61.00 62.35 3ij3 s PRO 18 Cb -0.15 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.40 3ij3 s PRO 18 CO -0.02 -0.77 0.40 1.41 0.04 0.00 0.00 177.00 178.06 3ij3 s MET 19 N -3.36 0.47 0.18 4.56 1.75 0.37 -4.83 119.30 118.44 3ij3 s MET 19 Ca 0.71 0.54 0.09 0.00 -1.25 0.00 0.00 55.69 55.78 3ij3 s MET 19 Cb -0.21 0.23 -0.04 0.00 2.84 0.00 0.00 34.83 37.64 3ij3 s MET 19 CO 0.26 -0.06 -0.12 -1.64 -0.65 0.00 0.00 175.02 172.81 3ij3 s MET 20 N 0.18 1.95 0.27 4.11 -1.94 -1.26 -1.64 119.30 120.97 3ij3 s MET 20 Ca -0.00 -1.31 -0.00 0.00 -1.71 0.00 0.00 55.69 52.66 3ij3 s MET 20 Cb -0.03 -2.10 0.58 0.00 2.01 0.00 0.00 34.83 35.30 3ij3 s MET 20 CO 0.01 0.43 1.71 -1.35 -0.01 0.00 0.00 175.02 175.81 3ij3 h PRO 21 N 2.98 0.40 0.00 2.03 0.11 -1.74 -2.08 132.00 133.71 3ij3 h PRO 21 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3ij3 h PRO 21 Cb 1.20 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ij3 h PRO 21 CO 0.53 0.27 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.99 3ij3 h ASP 22 N 0.42 0.00 0.53 -2.05 3.32 -1.96 -2.82 116.42 113.85 3ij3 h ASP 22 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 3ij3 h ASP 22 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3ij3 h ASP 22 CO -0.47 0.16 -0.75 -0.62 -1.72 0.00 0.00 179.24 175.83 3ij3 n GLU 23 N -3.96 0.18 -0.15 3.56 4.71 -0.80 -4.47 120.64 119.70 3ij3 n GLU 23 Ca -0.02 0.02 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 3ij3 n GLU 23 Cb 0.25 -1.58 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 3ij3 n GLU 23 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3ij3 h LEU 24 N 0.00 0.61 -0.27 -4.62 5.85 -1.32 -1.89 115.31 113.68 3ij3 h LEU 24 Ca 0.00 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3ij3 h LEU 24 Cb 0.64 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3ij3 h LEU 24 CO 0.00 0.60 0.11 -0.65 -0.34 0.00 0.00 178.44 178.16 3ij3 h PRO 25 N 0.58 0.23 -0.59 5.25 0.11 -1.78 0.60 132.00 136.41 3ij3 h PRO 25 Ca 0.15 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 3ij3 h PRO 25 Cb 0.17 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 3ij3 h PRO 25 CO -0.01 0.15 0.08 -0.44 -0.21 0.00 0.00 178.00 177.57 3ij3 h ASP 26 N 0.24 0.91 -0.28 -2.05 3.32 -1.83 -2.71 116.42 114.02 3ij3 h ASP 26 Ca 0.12 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3ij3 h ASP 26 Cb 0.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3ij3 h ASP 26 CO -0.10 0.92 0.10 -0.25 -1.72 0.00 0.00 179.24 178.19 3ij3 h TRP 27 N 0.90 0.43 -0.80 4.55 7.01 -0.85 -2.92 115.95 124.27 3ij3 h TRP 27 Ca 0.18 -0.04 0.11 0.00 2.11 0.00 0.00 58.89 61.26 3ij3 h TRP 27 Cb 0.41 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 27.29 3ij3 h TRP 27 CO 0.03 0.45 0.52 -0.07 -2.79 0.00 0.00 178.44 176.58 3ij3 h LEU 28 N 0.30 0.61 -2.85 0.65 3.38 -0.71 -0.02 115.31 116.67 3ij3 h LEU 28 Ca 0.09 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ij3 h LEU 28 Cb 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ij3 h LEU 28 CO -0.01 0.34 -0.00 0.44 0.09 0.00 0.00 178.44 179.31 3ij3 h ASP 29 N 0.66 0.00 0.21 -0.43 3.32 -1.28 -1.02 116.42 117.88 3ij3 h ASP 29 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3ij3 h ASP 29 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3ij3 h ASP 29 CO -0.15 0.00 -0.24 0.35 -1.72 0.00 0.00 179.24 177.48 3ij3 n THR 30 N -3.13 0.00 -3.52 0.35 -2.24 -0.02 -4.95 114.28 100.76 3ij3 n THR 30 Ca -0.03 -0.14 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 3ij3 n THR 30 Cb 0.09 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 3ij3 n THR 30 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ij3 s GLN 31 N -2.46 3.07 0.96 -0.78 -1.52 -0.39 -5.11 119.66 113.43 3ij3 s GLN 31 Ca 0.25 -1.05 -0.13 0.00 -1.95 0.00 0.00 55.36 52.49 3ij3 s GLN 31 Cb 0.19 -2.78 0.17 0.00 -0.22 0.00 0.00 33.01 30.37 3ij3 s GLN 31 CO 0.51 0.07 1.13 0.16 -0.25 0.00 0.00 175.29 176.91 3ij3 s ASP 32 N -4.15 3.04 0.13 5.90 1.47 -1.26 -4.78 116.67 117.02 3ij3 s ASP 32 Ca 0.44 0.98 -0.22 0.00 1.18 0.00 0.00 52.55 54.93 3ij3 s ASP 32 Cb -0.09 -1.55 -0.02 0.00 -0.34 0.00 0.00 42.92 40.92 3ij3 s ASP 32 CO 0.30 -2.85 1.66 0.00 0.68 0.00 0.00 175.17 174.97 3ij3 h ALA 33 N -1.70 -0.10 -0.86 2.11 0.00 -1.99 -1.45 119.26 115.27 3ij3 h ALA 33 Ca -0.51 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.50 3ij3 h ALA 33 Cb 1.33 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 3ij3 h ALA 33 CO 0.58 -0.62 0.54 -0.09 0.00 0.00 0.00 179.25 179.66 3ij3 h ARG 34 N -0.21 0.97 -0.31 0.00 2.43 -1.99 -0.42 114.38 114.84 3ij3 h ARG 34 Ca 0.09 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3ij3 h ARG 34 Cb 0.34 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3ij3 h ARG 34 CO -0.24 0.64 0.00 1.15 -1.51 0.00 0.00 179.97 180.01 3ij3 h THR 35 N 1.00 1.26 -0.53 0.20 2.02 -1.83 -0.91 112.91 114.11 3ij3 h THR 35 Ca 0.37 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.62 3ij3 h THR 35 Cb 0.14 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3ij3 h THR 35 CO -0.16 0.30 0.35 1.56 0.37 0.00 0.00 175.52 177.94 3ij3 h GLN 36 N 0.34 0.69 -0.59 6.66 4.20 -0.83 -1.38 115.11 124.20 3ij3 h GLN 36 Ca 0.09 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3ij3 h GLN 36 Cb 0.43 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3ij3 h GLN 36 CO 0.02 0.46 0.27 1.96 -0.67 0.00 0.00 178.83 180.86 3ij3 h GLN 37 N 0.71 0.87 -0.17 1.46 1.08 -0.93 -2.64 115.11 115.48 3ij3 h GLN 37 Ca 0.20 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3ij3 h GLN 37 Cb -0.07 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 3ij3 h GLN 37 CO -0.05 0.72 0.00 2.35 -0.95 0.00 0.00 178.83 180.90 3ij3 h TRP 38 N 0.81 0.33 -0.88 2.96 2.91 -0.89 0.30 115.95 121.50 3ij3 h TRP 38 Ca 0.20 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.17 3ij3 h TRP 38 Cb 0.15 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.67 3ij3 h TRP 38 CO 0.00 0.51 0.58 0.28 -1.03 0.00 0.00 178.44 178.78 3ij3 h VAL 39 N 0.05 1.23 -0.21 2.65 2.07 -1.27 0.14 116.25 120.91 3ij3 h VAL 39 Ca 0.05 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3ij3 h VAL 39 Cb 0.38 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3ij3 h VAL 39 CO 0.01 0.22 -0.03 0.50 0.02 0.00 0.00 177.57 178.29 3ij3 h LYS 40 N 1.19 0.38 0.00 1.57 3.64 -1.34 -3.14 116.57 118.88 3ij3 h LYS 40 Ca 0.32 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3ij3 h LYS 40 Cb -0.13 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3ij3 h LYS 40 CO -0.07 0.61 -0.16 0.00 -2.27 0.00 0.00 179.45 177.57 3ij3 h ALA 41 N 0.76 1.63 0.00 5.00 0.00 0.06 -2.81 119.26 123.90 3ij3 h ALA 41 Ca 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3ij3 h ALA 41 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ij3 h ALA 41 CO 0.02 0.20 -0.23 0.66 0.00 0.00 0.00 179.25 179.89 3ij3 h SER 42 N 0.00 0.00 0.00 0.00 4.64 -0.69 -3.47 113.55 114.02 3ij3 h SER 42 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ij3 h SER 42 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3ij3 h SER 42 CO 0.02 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 3ij3 n GLY 43 N 0.70 0.75 3.71 -0.77 0.00 -1.06 -5.02 105.19 103.49 3ij3 n GLY 43 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3ij3 n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ij3 s PHE 44 N -2.69 3.18 0.00 1.61 5.36 -1.24 -4.88 117.98 119.33 3ij3 s PHE 44 Ca 0.00 0.99 0.00 0.00 -0.96 0.00 0.00 56.93 56.96 3ij3 s PHE 44 Cb 0.00 -3.62 0.00 0.00 -0.34 0.00 0.00 43.02 39.06 3ij3 s PHE 44 CO 0.00 -2.16 0.63 1.33 -1.46 0.00 0.00 175.22 173.56 3ij3 n VAL 45 N 4.13 0.39 -0.27 3.12 0.24 -1.26 -4.83 118.33 119.85 3ij3 n VAL 45 Ca 0.11 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3ij3 n VAL 45 Cb 0.43 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 3ij3 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ij3 n GLY 46 N -0.19 0.85 3.74 7.63 0.00 -1.26 -3.93 105.19 112.03 3ij3 n GLY 46 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3ij3 n GLY 46 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ij3 s LEU 47 N 0.00 4.35 0.09 0.99 2.96 -1.26 -4.06 118.68 121.76 3ij3 s LEU 47 Ca 0.00 2.93 -0.35 0.00 -0.22 0.00 0.00 54.13 56.48 3ij3 s LEU 47 Cb 0.00 -3.62 -0.15 0.00 0.50 0.00 0.00 46.19 42.92 3ij3 s LEU 47 CO 0.00 -0.94 1.49 0.00 -1.32 0.00 0.00 176.35 175.58 3ij3 n ALA 48 N 2.78 0.19 -0.00 5.97 0.00 -1.26 -1.75 120.51 126.45 3ij3 n ALA 48 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3ij3 n ALA 48 Cb 0.37 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3ij3 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ij3 n GLY 49 N 3.09 1.93 3.91 0.00 0.00 -0.16 -4.93 105.19 109.03 3ij3 n GLY 49 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3ij3 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ij3 s THR 50 N -2.64 5.00 0.17 2.61 -4.23 -0.72 -4.88 115.64 110.95 3ij3 s THR 50 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 3ij3 s THR 50 Cb 0.00 -3.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 3ij3 s THR 50 CO 0.00 -0.52 -0.09 0.27 -0.54 0.00 0.00 174.62 173.74 3ij3 s ILE 51 N -2.32 1.23 -0.22 2.99 -4.36 -1.26 -0.86 121.20 116.41 3ij3 s ILE 51 Ca 0.44 -2.08 -0.01 0.00 -0.26 0.00 0.00 60.65 58.74 3ij3 s ILE 51 Cb -0.10 -1.98 0.06 0.00 1.25 0.00 0.00 42.46 41.69 3ij3 s ILE 51 CO 0.35 -0.64 0.02 0.00 0.24 0.00 0.00 174.94 174.90 3ij3 s SER 53 N 1.68 6.74 -0.23 0.00 0.01 -1.26 -0.89 113.70 119.75 3ij3 s SER 53 Ca -0.01 0.79 -0.09 0.00 1.31 0.00 0.00 55.95 57.94 3ij3 s SER 53 Cb -0.18 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3ij3 s SER 53 CO -0.09 -0.65 0.12 -0.63 0.41 0.00 0.00 173.24 172.40 3ij3 s ILE 54 N 3.06 5.06 0.46 1.44 1.01 0.04 -5.01 121.20 127.26 3ij3 s ILE 54 Ca 0.35 0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.89 3ij3 s ILE 54 Cb -0.14 -3.34 -0.09 0.00 0.01 0.00 0.00 42.46 38.90 3ij3 s ILE 54 CO 0.12 0.38 0.95 -2.16 0.00 0.00 0.00 174.94 174.22 3ij3 s PRO 55 N 0.95 4.06 0.84 2.79 0.04 -1.26 -0.12 135.00 142.30 3ij3 s PRO 55 Ca 0.06 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 3ij3 s PRO 55 Cb -0.13 -2.18 0.12 0.00 0.04 0.00 0.00 34.50 32.34 3ij3 s PRO 55 CO 0.03 -0.13 1.20 -1.21 0.04 0.00 0.00 177.00 176.93 3ij3 s GLU 56 N -3.63 1.57 0.60 4.56 0.41 0.99 -4.61 118.70 118.59 3ij3 s GLU 56 Ca 0.60 -0.12 0.38 0.00 -0.41 0.00 0.00 54.97 55.41 3ij3 s GLU 56 Cb -0.10 -1.95 1.78 0.00 -1.78 0.00 0.00 34.13 32.09 3ij3 s GLU 56 CO 0.23 -1.81 2.14 0.66 -0.49 0.00 0.00 175.26 175.99 3ij3 h SER 57 N -1.17 0.00 1.76 -0.19 4.64 -1.98 -1.53 113.55 115.08 3ij3 h SER 57 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3ij3 h SER 57 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3ij3 h SER 57 CO 0.56 0.01 0.00 0.71 -0.87 0.00 0.00 176.83 177.24 3ij3 h THR 58 N 0.00 0.00 0.00 2.95 1.35 -2.02 -3.47 112.91 111.72 3ij3 h THR 58 Ca -0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3ij3 h THR 58 Cb 0.31 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3ij3 h THR 58 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3ij3 n GLY 59 N 1.10 0.25 3.82 5.82 0.00 -0.58 -5.07 105.19 110.53 3ij3 n GLY 59 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3ij3 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij3 s ALA 60 N -2.07 2.16 0.13 4.61 0.00 -1.26 -4.71 121.76 120.63 3ij3 s ALA 60 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 3ij3 s ALA 60 Cb 0.00 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 3ij3 s ALA 60 CO 0.00 -1.93 1.04 -0.51 0.00 0.00 0.00 175.76 174.36 3ij3 s LEU 61 N -5.82 4.48 -0.25 0.00 1.43 -1.26 -0.01 118.68 117.25 3ij3 s LEU 61 Ca 0.62 1.94 -0.03 0.00 -1.03 0.00 0.00 54.13 55.63 3ij3 s LEU 61 Cb -0.14 -3.59 -0.17 0.00 0.03 0.00 0.00 46.19 42.32 3ij3 s LEU 61 CO 0.53 -0.17 -0.18 1.67 0.23 0.00 0.00 176.35 178.43 3ij3 n GLN 62 N 2.72 0.65 -3.55 1.70 7.27 0.83 -4.68 117.38 122.33 3ij3 n GLN 62 Ca 0.03 0.20 -0.09 0.00 0.07 0.00 0.00 57.00 57.21 3ij3 n GLN 62 Cb 0.48 -1.54 -0.03 0.00 2.41 0.00 0.00 30.24 31.55 3ij3 n GLN 62 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3ij3 s ARG 63 N -2.52 0.67 -0.12 3.69 3.52 -1.17 -4.20 118.95 118.82 3ij3 s ARG 63 Ca -0.34 -0.08 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 3ij3 s ARG 63 Cb 0.10 0.31 0.02 0.00 -1.56 0.00 0.00 34.95 33.81 3ij3 s ARG 63 CO 0.60 -0.26 -0.17 0.08 -0.81 0.00 0.00 175.30 174.74 3ij3 s VAL 64 N -2.13 1.65 -0.01 7.11 1.01 -0.08 -0.78 120.40 127.16 3ij3 s VAL 64 Ca 0.02 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 3ij3 s VAL 64 Cb -0.01 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.82 3ij3 s VAL 64 CO -0.04 0.47 0.49 -0.76 0.00 0.00 0.00 175.10 175.26 3ij3 s LEU 65 N 1.05 4.43 -0.19 3.92 1.43 -0.07 -0.74 118.68 128.51 3ij3 s LEU 65 Ca -0.04 1.03 -0.00 0.00 -1.03 0.00 0.00 54.13 54.08 3ij3 s LEU 65 Cb -0.15 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.36 3ij3 s LEU 65 CO -0.04 0.20 -0.15 -0.22 0.23 0.00 0.00 176.35 176.37 3ij3 s LEU 66 N -0.55 2.38 0.15 1.79 2.96 -0.29 -1.19 118.68 123.93 3ij3 s LEU 66 Ca 0.26 -0.60 -0.31 0.00 -0.22 0.00 0.00 54.13 53.27 3ij3 s LEU 66 Cb -0.17 -1.55 -0.08 0.00 0.50 0.00 0.00 46.19 44.89 3ij3 s LEU 66 CO 0.14 -0.01 1.32 -0.83 -1.32 0.00 0.00 176.35 175.66 3ij3 s GLY 67 N 1.34 2.26 0.19 7.98 0.00 -0.04 -0.48 107.32 118.57 3ij3 s GLY 67 Ca 0.05 1.07 0.11 0.00 0.00 0.00 0.00 44.72 45.95 3ij3 s GLY 67 CO -0.10 2.17 -0.22 -1.34 0.00 0.00 0.00 173.10 173.61 3ij3 s VAL 68 N 0.62 2.19 0.14 1.40 -7.23 -0.65 -0.99 120.40 115.88 3ij3 s VAL 68 Ca 0.60 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 3ij3 s VAL 68 Cb -0.36 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 3ij3 s VAL 68 CO 0.34 -0.19 1.47 0.77 -0.31 0.00 0.00 175.10 177.17 3ij3 h SER 69 N 3.17 1.00 -4.96 4.85 4.64 -1.91 -3.41 113.55 116.93 3ij3 h SER 69 Ca -0.45 -0.47 -0.01 0.00 -0.47 0.00 0.00 61.79 60.40 3ij3 h SER 69 Cb 1.21 -0.28 -0.13 0.00 -0.31 0.00 0.00 62.40 62.89 3ij3 h SER 69 CO 0.49 1.26 0.24 1.51 -0.87 0.00 0.00 176.83 179.46 3ij3 s ASP 70 N -6.83 -0.55 0.00 4.97 3.84 -1.26 -5.02 116.67 111.82 3ij3 s ASP 70 Ca -0.11 0.03 0.09 0.00 -0.00 0.00 0.00 52.55 52.56 3ij3 s ASP 70 Cb 0.11 0.57 0.38 0.00 -1.38 0.00 0.00 42.92 42.61 3ij3 s ASP 70 CO 0.88 -0.92 1.27 -1.22 -0.00 0.00 0.00 175.17 175.19 3ij3 n TYR 71 N -0.31 0.00 -0.02 2.11 4.01 -1.26 -2.53 117.16 119.16 3ij3 n TYR 71 Ca -0.16 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.61 3ij3 n TYR 71 Cb 0.64 -0.48 0.09 0.00 -0.31 0.00 0.00 39.34 39.28 3ij3 n TYR 71 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ij3 n GLU 72 N -1.48 2.27 0.02 -0.72 4.71 -1.26 -4.75 120.64 119.42 3ij3 n GLU 72 Ca 0.02 -1.66 -0.19 0.00 -0.01 0.00 0.00 57.16 55.33 3ij3 n GLU 72 Cb 0.10 -1.17 -0.10 0.00 -1.01 0.00 0.00 31.44 29.26 3ij3 n GLU 72 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 3ij3 h TYR 73 N 1.36 0.96 0.00 -0.32 3.20 -1.89 -3.48 116.97 116.80 3ij3 h TYR 73 Ca 0.00 -0.49 0.00 0.00 3.14 0.00 0.00 58.73 61.38 3ij3 h TYR 73 Cb 0.58 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3ij3 h TYR 73 CO 0.12 1.32 0.00 0.43 -1.64 0.00 0.00 178.16 178.39 3ij3 n SER 74 N -3.96 0.00 0.34 -2.11 7.64 -1.26 -4.71 113.62 109.55 3ij3 n SER 74 Ca -0.10 0.00 0.22 0.00 1.01 0.00 0.00 58.87 60.00 3ij3 n SER 74 Cb 0.80 0.00 1.18 0.00 -1.01 0.00 0.00 64.21 65.18 3ij3 n SER 74 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 3ij3 h TRP 75 N 0.00 0.00 -0.25 1.43 4.06 -1.92 -1.72 115.95 117.55 3ij3 h TRP 75 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3ij3 h TRP 75 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3ij3 h TRP 75 CO 0.00 0.00 0.16 -0.44 -3.56 0.00 0.00 178.44 174.60 3ij3 h ASP 76 N 0.00 0.28 0.30 -3.49 3.32 -1.90 0.25 116.42 115.18 3ij3 h ASP 76 Ca 0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3ij3 h ASP 76 Cb 0.06 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3ij3 h ASP 76 CO 0.00 0.21 -0.11 -0.26 -1.72 0.00 0.00 179.24 177.36 3ij3 h PHE 77 N 0.33 0.00 0.00 4.55 0.04 -1.66 -2.49 116.94 117.72 3ij3 h PHE 77 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3ij3 h PHE 77 Cb -0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 3ij3 h PHE 77 CO 0.00 0.11 -0.05 0.78 -0.60 0.00 0.00 178.31 178.55 3ij3 h GLY 78 N 0.71 0.00 0.93 -1.45 0.00 -1.05 -2.53 103.07 99.67 3ij3 h GLY 78 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ij3 h GLY 78 CO 0.01 0.00 -0.04 0.61 0.00 0.00 0.00 176.54 177.13 3ij3 n GLY 79 N -1.14 -0.93 0.24 4.60 0.00 -0.94 -2.60 105.19 104.42 3ij3 n GLY 79 Ca -0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 3ij3 n GLY 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ij3 h LEU 80 N 0.45 0.71 -1.65 0.99 3.38 -1.61 -2.91 115.31 114.67 3ij3 h LEU 80 Ca 0.00 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 57.95 3ij3 h LEU 80 Cb 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3ij3 h LEU 80 CO 0.00 0.60 0.37 0.77 0.09 0.00 0.00 178.44 180.28 3ij3 h SER 81 N 0.76 0.37 1.28 -0.43 4.64 -1.83 0.16 113.55 118.50 3ij3 h SER 81 Ca 0.20 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ij3 h SER 81 Cb 0.06 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3ij3 h SER 81 CO -0.03 0.23 0.00 0.29 -0.87 0.00 0.00 176.83 176.45 3ij3 n LYS 82 N -4.47 0.24 0.00 4.77 5.02 -1.10 -4.12 118.16 118.49 3ij3 n LYS 82 Ca 0.09 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 3ij3 n LYS 82 Cb 0.32 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3ij3 n LYS 82 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3ij3 n VAL 83 N -2.22 0.00 -2.19 -0.18 0.24 -0.63 -5.07 118.33 108.28 3ij3 n VAL 83 Ca 0.05 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.34 61.93 3ij3 n VAL 83 Cb 0.38 0.46 -0.02 0.00 -1.47 0.00 0.00 33.84 33.19 3ij3 n VAL 83 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ij3 s LEU 84 N -2.60 4.37 1.04 1.34 1.43 0.45 -5.02 118.68 119.69 3ij3 s LEU 84 Ca 0.00 2.57 -0.12 0.00 -1.03 0.00 0.00 54.13 55.54 3ij3 s LEU 84 Cb 0.00 -3.75 0.21 0.00 0.03 0.00 0.00 46.19 42.68 3ij3 s LEU 84 CO 0.00 -0.55 1.08 -2.84 0.23 0.00 0.00 176.35 174.27 3ij3 s PRO 85 N -1.90 0.12 0.57 1.29 0.02 -1.26 -4.76 135.00 129.09 3ij3 s PRO 85 Ca 0.51 0.57 -0.20 0.00 0.02 0.00 0.00 61.00 61.90 3ij3 s PRO 85 Cb -0.37 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 3ij3 s PRO 85 CO 0.48 -2.96 1.31 -2.14 -0.33 0.00 0.00 177.00 173.36 3ij3 s PRO 86 N -4.86 3.01 0.00 5.54 0.02 -1.26 -4.40 135.00 133.05 3ij3 s PRO 86 Ca 0.66 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.78 3ij3 s PRO 86 Cb -0.20 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.21 3ij3 s PRO 86 CO 0.59 -1.25 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3ij3 n GLY 87 N 0.72 0.30 3.38 0.52 0.00 -0.78 -4.92 105.19 104.41 3ij3 n GLY 87 Ca 0.12 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 3ij3 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij3 s ALA 88 N -1.49 3.13 0.37 4.61 0.00 -1.26 -1.14 121.76 125.98 3ij3 s ALA 88 Ca 0.00 -1.39 0.08 0.00 0.00 0.00 0.00 51.96 50.65 3ij3 s ALA 88 Cb 0.00 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 3ij3 s ALA 88 CO 0.00 -0.85 0.09 -0.06 0.00 0.00 0.00 175.76 174.94 3ij3 s PHE 89 N 1.54 2.59 -0.12 0.00 0.08 0.44 -0.93 117.98 121.58 3ij3 s PHE 89 Ca 0.04 -0.50 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 3ij3 s PHE 89 Cb -0.17 -1.71 0.03 0.00 -0.57 0.00 0.00 43.02 40.61 3ij3 s PHE 89 CO 0.03 0.35 0.30 -1.14 -0.10 0.00 0.00 175.22 174.67 3ij3 s GLN 90 N -3.80 0.34 0.45 0.44 0.74 -0.28 -0.85 119.66 116.70 3ij3 s GLN 90 Ca 0.38 0.44 -0.00 0.00 0.05 0.00 0.00 55.36 56.22 3ij3 s GLN 90 Cb 0.02 0.14 -0.01 0.00 1.10 0.00 0.00 33.01 34.26 3ij3 s GLN 90 CO 0.21 -0.06 0.68 -0.51 -0.55 0.00 0.00 175.29 175.06 3ij3 s LEU 91 N 0.29 3.65 -0.19 3.68 1.43 -1.26 -1.55 118.68 124.74 3ij3 s LEU 91 Ca -0.01 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3ij3 s LEU 91 Cb -0.03 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.95 3ij3 s LEU 91 CO -0.01 -0.68 -0.15 0.21 0.23 0.00 0.00 176.35 175.96 3ij3 s ASN 92 N -4.20 3.57 0.38 2.29 3.84 -1.26 -4.96 114.94 114.60 3ij3 s ASN 92 Ca 0.48 -0.54 0.13 0.00 0.21 0.00 0.00 52.86 53.13 3ij3 s ASN 92 Cb -0.10 -1.57 0.94 0.00 -0.55 0.00 0.00 41.25 39.97 3ij3 s ASN 92 CO 0.39 0.01 1.84 -0.09 -2.79 0.00 0.00 177.10 176.46 3ij3 h ARG 93 N 7.88 0.54 0.00 0.43 9.65 -1.98 -0.70 114.38 130.20 3ij3 h ARG 93 Ca -0.42 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 3ij3 h ARG 93 Cb 1.15 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 3ij3 h ARG 93 CO 0.62 0.36 0.00 -0.44 2.80 0.00 0.00 179.97 183.30 3ij3 h ASP 94 N 0.56 0.00 0.37 -3.80 3.32 -2.00 -2.27 116.42 112.59 3ij3 h ASP 94 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 3ij3 h ASP 94 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3ij3 h ASP 94 CO -0.23 0.00 -0.04 0.47 -1.72 0.00 0.00 179.24 177.73 3ij3 n ASP 95 N -2.42 0.20 -4.47 6.45 8.00 -0.27 -4.86 116.55 119.18 3ij3 n ASP 95 Ca -0.00 -0.50 -0.30 0.00 0.71 0.00 0.00 54.79 54.70 3ij3 n ASP 95 Cb 0.13 -0.15 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 3ij3 n ASP 95 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ij3 s PHE 96 N -2.41 2.51 0.20 1.24 0.08 -0.85 -4.95 117.98 113.81 3ij3 s PHE 96 Ca 0.33 -0.28 -0.08 0.00 0.12 0.00 0.00 56.93 57.02 3ij3 s PHE 96 Cb 0.21 -1.35 0.14 0.00 -0.57 0.00 0.00 43.02 41.44 3ij3 s PHE 96 CO 0.44 0.35 1.71 1.49 -0.10 0.00 0.00 175.22 179.11 3ij3 h GLU 97 N 3.89 1.09 -3.72 0.44 4.81 -1.86 -3.45 114.58 115.78 3ij3 h GLU 97 Ca -0.50 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.37 3ij3 h GLU 97 Cb 1.17 -0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.29 3ij3 h GLU 97 CO 0.45 0.99 -0.26 0.16 -0.73 0.00 0.00 179.01 179.62 3ij3 s ASP 98 N -6.51 -0.01 0.55 1.04 1.47 -1.26 -5.04 116.67 106.91 3ij3 s ASP 98 Ca -0.12 -0.68 0.30 0.00 1.18 0.00 0.00 52.55 53.24 3ij3 s ASP 98 Cb 0.15 0.43 1.61 0.00 -0.34 0.00 0.00 42.92 44.76 3ij3 s ASP 98 CO 0.85 -0.85 2.12 -2.24 0.68 0.00 0.00 175.17 175.73 3ij3 h ASP 99 N 2.54 0.00 -0.71 2.11 3.04 -1.92 -2.14 116.42 119.34 3ij3 h ASP 99 Ca -0.32 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.51 3ij3 h ASP 99 Cb 1.23 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.47 3ij3 h ASP 99 CO 0.49 0.08 0.42 -0.08 -2.04 0.00 0.00 179.24 178.12 3ij3 h GLU 100 N 0.00 0.78 -0.07 4.15 4.57 -1.99 0.16 114.58 122.17 3ij3 h GLU 100 Ca -0.00 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 57.99 3ij3 h GLU 100 Cb 0.27 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3ij3 h GLU 100 CO 0.01 0.51 -0.60 1.88 -1.18 0.00 0.00 179.01 179.63 3ij3 h TYR 101 N 0.80 0.31 -0.33 0.92 0.05 -1.80 -1.43 116.97 115.49 3ij3 h TYR 101 Ca 0.30 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 3ij3 h TYR 101 Cb 0.11 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 3ij3 h TYR 101 CO -0.06 0.78 0.14 -0.92 -1.05 0.00 0.00 178.16 177.06 3ij3 h TYR 102 N 0.18 0.49 -0.65 4.88 3.20 -1.30 -1.60 116.97 122.17 3ij3 h TYR 102 Ca -0.01 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 3ij3 h TYR 102 Cb 1.11 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 3ij3 h TYR 102 CO 0.02 0.45 0.07 1.49 -1.64 0.00 0.00 178.16 178.56 3ij3 h GLU 103 N 0.39 1.10 -0.77 1.82 4.81 -0.54 -1.54 114.58 119.84 3ij3 h GLU 103 Ca 0.11 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 3ij3 h GLU 103 Cb 0.16 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3ij3 h GLU 103 CO -0.01 1.03 0.36 0.00 -0.73 0.00 0.00 179.01 179.66 3ij3 h ARG 104 N 1.02 1.11 -0.37 1.92 3.08 -1.11 -1.07 114.38 118.96 3ij3 h ARG 104 Ca 0.19 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3ij3 h ARG 104 Cb 0.49 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3ij3 h ARG 104 CO 0.02 0.86 0.07 0.00 -1.07 0.00 0.00 179.97 179.85 3ij3 h ALA 105 N 1.29 0.50 -0.49 0.04 0.00 -1.02 0.41 119.26 119.98 3ij3 h ALA 105 Ca 0.27 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3ij3 h ALA 105 Cb 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ij3 h ALA 105 CO -0.03 0.19 0.27 -0.07 0.00 0.00 0.00 179.25 179.61 3ij3 h LEU 106 N 0.46 0.42 -0.32 0.00 3.38 -0.97 -1.90 115.31 116.37 3ij3 h LEU 106 Ca 0.12 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ij3 h LEU 106 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3ij3 h LEU 106 CO 0.00 0.30 0.06 0.25 0.09 0.00 0.00 178.44 179.14 3ij3 h LEU 107 N 0.54 0.51 -0.89 1.67 5.85 -1.08 -3.03 115.31 118.89 3ij3 h LEU 107 Ca 0.20 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.75 3ij3 h LEU 107 Cb 0.06 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3ij3 h LEU 107 CO -0.12 0.63 0.54 0.00 -0.34 0.00 0.00 178.44 179.16 3ij3 h ALA 108 N 0.89 1.26 -0.35 1.25 0.00 -0.71 0.58 119.26 122.18 3ij3 h ALA 108 Ca 0.10 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3ij3 h ALA 108 Cb 0.34 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3ij3 h ALA 108 CO 0.01 0.24 0.00 0.35 0.00 0.00 0.00 179.25 179.85 3ij3 h PHE 109 N 0.95 -0.01 -0.56 0.00 3.57 -1.25 -1.36 116.94 118.27 3ij3 h PHE 109 Ca 0.41 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 3ij3 h PHE 109 Cb 0.28 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3ij3 h PHE 109 CO -0.03 -0.06 0.27 0.78 -2.23 0.00 0.00 178.31 177.04 3ij3 h GLY 110 N 0.10 0.86 1.46 2.40 0.00 -0.97 -2.74 103.07 104.17 3ij3 h GLY 110 Ca 0.17 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3ij3 h GLY 110 CO -0.28 0.40 0.30 1.41 0.00 0.00 0.00 176.54 178.37 3ij3 h LEU 111 N 0.75 0.63 0.00 3.11 3.38 -0.57 -1.22 115.31 121.39 3ij3 h LEU 111 Ca 0.19 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3ij3 h LEU 111 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3ij3 h LEU 111 CO -0.02 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.62 3ij3 n GLY 112 N -1.32 -1.32 0.35 0.83 0.00 -0.55 -3.10 105.19 100.09 3ij3 n GLY 112 Ca 0.05 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3ij3 n GLY 112 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ij3 n SER 113 N -1.40 1.27 -4.73 1.61 7.64 -0.46 -4.68 113.62 112.86 3ij3 n SER 113 Ca 0.09 -1.15 -0.42 0.00 1.01 0.00 0.00 58.87 58.41 3ij3 n SER 113 Cb 0.27 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 3ij3 n SER 113 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3ij3 s TYR 114 N -2.32 3.10 -0.04 1.43 5.04 -1.18 -4.88 117.35 118.50 3ij3 s TYR 114 Ca 0.29 0.93 -0.01 0.00 -2.44 0.00 0.00 57.07 55.83 3ij3 s TYR 114 Cb 0.20 -3.80 0.03 0.00 0.35 0.00 0.00 41.96 38.74 3ij3 s TYR 114 CO 0.45 -2.72 0.04 -0.65 -1.34 0.00 0.00 175.55 171.33 3ij3 s GLN 115 N 0.32 0.05 -0.49 4.97 -0.21 -1.26 -4.93 119.66 118.11 3ij3 s GLN 115 Ca 0.63 0.30 -0.26 0.00 0.02 0.00 0.00 55.36 56.04 3ij3 s GLN 115 Cb -0.41 -0.54 0.03 0.00 1.00 0.00 0.00 33.01 33.09 3ij3 s GLN 115 CO 0.37 -0.29 0.98 0.12 -2.12 0.00 0.00 175.29 174.35 3ij3 s PHE 116 N 1.92 2.85 -0.18 0.91 5.36 -1.26 -4.90 117.98 122.68 3ij3 s PHE 116 Ca 0.02 0.36 0.16 0.00 -0.96 0.00 0.00 56.93 56.51 3ij3 s PHE 116 Cb -0.12 -4.11 0.37 0.00 -0.34 0.00 0.00 43.02 38.82 3ij3 s PHE 116 CO -0.03 -1.22 1.26 0.09 -1.46 0.00 0.00 175.22 173.86 3ij3 n ASN 117 N 7.44 2.98 0.28 6.13 3.02 -1.26 -4.73 115.26 129.11 3ij3 n ASN 117 Ca 0.06 -2.94 0.16 0.00 -0.03 0.00 0.00 54.58 51.84 3ij3 n ASN 117 Cb 0.48 -0.44 0.73 0.00 -0.61 0.00 0.00 39.78 39.94 3ij3 n ASN 117 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ij3 h ALA 118 N 0.83 1.04 0.00 5.41 0.00 -2.02 -3.28 119.26 121.24 3ij3 h ALA 118 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ij3 h ALA 118 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ij3 h ALA 118 CO 0.09 0.07 0.00 0.66 0.00 0.00 0.00 179.25 180.07 3ij3 n TYR 119 N -3.21 0.00 -3.66 0.00 4.01 -1.26 -5.05 117.16 107.99 3ij3 n TYR 119 Ca -0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 3ij3 n TYR 119 Cb 0.29 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.24 3ij3 n TYR 119 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 3ij3 s ARG 120 N -0.13 0.86 0.17 -0.72 1.70 -1.24 -5.14 118.95 114.45 3ij3 s ARG 120 Ca 0.00 -0.11 -0.30 0.00 -0.47 0.00 0.00 55.73 54.85 3ij3 s ARG 120 Cb 0.00 0.39 -0.07 0.00 -0.57 0.00 0.00 34.95 34.70 3ij3 s ARG 120 CO 0.00 -0.27 0.99 0.15 -1.08 0.00 0.00 175.30 175.10 3ij3 s LYS 121 N -1.62 4.71 -0.00 3.89 3.01 -1.26 -4.63 119.74 123.84 3ij3 s LYS 121 Ca -0.10 1.54 0.01 0.00 -1.01 0.00 0.00 55.97 56.41 3ij3 s LYS 121 Cb -0.02 -3.32 -0.00 0.00 -1.01 0.00 0.00 37.83 33.47 3ij3 s LYS 121 CO 0.04 0.26 -0.04 1.03 0.51 0.00 0.00 175.35 177.15 3ij3 s ARG 122 N -0.46 0.31 0.03 1.68 0.52 -1.26 -5.12 118.95 114.64 3ij3 s ARG 122 Ca 0.46 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.20 3ij3 s ARG 122 Cb -0.26 -0.28 -0.05 0.00 0.52 0.00 0.00 34.95 34.88 3ij3 s ARG 122 CO 0.32 0.07 1.24 -1.54 0.02 0.00 0.00 175.30 175.41 3ij3 s SER 123 N -0.17 7.03 0.64 0.23 1.04 -1.26 -5.00 113.70 116.20 3ij3 s SER 123 Ca 0.01 1.99 -0.14 0.00 0.48 0.00 0.00 55.95 58.29 3ij3 s SER 123 Cb -0.02 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 3ij3 s SER 123 CO -0.00 -0.54 1.07 -2.16 0.98 0.00 0.00 173.24 172.58 3ij3 s PRO 124 N 1.55 3.10 0.53 4.02 0.04 -1.26 -4.99 135.00 137.98 3ij3 s PRO 124 Ca 0.59 1.17 -0.21 0.00 0.04 0.00 0.00 61.00 62.59 3ij3 s PRO 124 Cb -0.29 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 3ij3 s PRO 124 CO 0.27 -0.99 1.21 0.71 0.04 0.00 0.00 177.00 178.24 3ij3 s TYR 125 N -2.59 2.59 -2.89 0.56 2.02 -1.26 -4.95 117.35 110.83 3ij3 s TYR 125 Ca 0.63 1.50 0.25 0.00 -0.37 0.00 0.00 57.07 59.07 3ij3 s TYR 125 Cb -0.16 -3.48 0.34 0.00 -0.40 0.00 0.00 41.96 38.26 3ij3 s TYR 125 CO 0.43 -1.99 1.35 1.28 -1.57 0.00 0.00 175.55 175.04 3ij3 n LEU 126 N -1.01 2.77 -4.78 -1.29 4.77 -1.26 -4.88 117.00 111.31 3ij3 n LEU 126 Ca 0.10 -0.94 -0.36 0.00 -0.03 0.00 0.00 56.01 54.78 3ij3 n LEU 126 Cb 0.48 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 3ij3 n LEU 126 CO 0.47 0.47 -0.15 0.00 -1.33 0.00 0.00 177.39 176.85 3ij3 s ALA 127 N -1.98 3.74 0.12 -1.18 0.00 -1.26 -1.87 121.76 119.34 3ij3 s ALA 127 Ca 0.30 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.70 3ij3 s ALA 127 Cb 0.20 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3ij3 s ALA 127 CO 0.31 0.31 -0.19 0.15 0.00 0.00 0.00 175.76 176.34 3ij3 s LYS 128 N -0.13 1.11 -0.05 0.00 1.02 -0.29 -4.94 119.74 116.47 3ij3 s LYS 128 Ca 0.12 -1.21 0.06 0.00 0.02 0.00 0.00 55.97 54.96 3ij3 s LYS 128 Cb -0.12 -1.25 -0.01 0.00 -0.52 0.00 0.00 37.83 35.93 3ij3 s LYS 128 CO 0.01 0.27 -0.24 -1.17 -0.92 0.00 0.00 175.35 173.30 3ij3 s LEU 129 N -2.14 2.05 0.19 3.17 2.96 -0.41 -0.42 118.68 124.07 3ij3 s LEU 129 Ca 0.08 -0.48 -0.30 0.00 -0.22 0.00 0.00 54.13 53.20 3ij3 s LEU 129 Cb -0.08 -1.31 -0.09 0.00 0.50 0.00 0.00 46.19 45.21 3ij3 s LEU 129 CO 0.04 0.25 1.40 0.12 -1.32 0.00 0.00 176.35 176.85 3ij3 s PHE 130 N -0.25 3.15 -0.34 5.38 5.36 -0.03 -0.68 117.98 130.58 3ij3 s PHE 130 Ca -0.00 1.03 -0.02 0.00 -0.96 0.00 0.00 56.93 56.97 3ij3 s PHE 130 Cb -0.13 -3.73 0.07 0.00 -0.34 0.00 0.00 43.02 38.89 3ij3 s PHE 130 CO 0.02 -2.44 0.07 -1.17 -1.46 0.00 0.00 175.22 170.24 3ij3 s LEU 131 N 0.20 4.39 0.57 6.12 2.96 0.01 -4.73 118.68 128.20 3ij3 s LEU 131 Ca 0.61 -1.56 -0.21 0.00 -0.22 0.00 0.00 54.13 52.76 3ij3 s LEU 131 Cb -0.39 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3ij3 s LEU 131 CO 0.37 -0.36 1.33 -2.84 -1.32 0.00 0.00 176.35 173.54 3ij3 s PRO 132 N 1.20 3.00 0.39 0.98 0.02 -1.26 -4.71 135.00 134.62 3ij3 s PRO 132 Ca 0.00 2.16 0.08 0.00 0.02 0.00 0.00 61.00 63.26 3ij3 s PRO 132 Cb -0.21 -2.14 0.84 0.00 0.02 0.00 0.00 34.50 33.01 3ij3 s PRO 132 CO -0.02 -1.28 1.97 0.37 -0.33 0.00 0.00 177.00 177.71 3ij3 h GLN 133 N 1.21 0.61 0.00 5.54 -0.00 -1.98 -1.33 115.11 119.17 3ij3 h GLN 133 Ca -0.51 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.09 3ij3 h GLN 133 Cb 1.31 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 28.65 3ij3 h GLN 133 CO 0.56 0.41 -0.06 0.00 0.00 0.00 0.00 178.83 179.73 3ij3 h ALA 134 N 1.65 1.48 -0.02 3.38 0.00 -2.04 -2.80 119.26 120.90 3ij3 h ALA 134 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ij3 h ALA 134 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ij3 h ALA 134 CO -0.09 0.08 0.00 0.72 0.00 0.00 0.00 179.25 179.96 3ij3 n HIS 135 N -3.85 0.02 -0.01 0.00 8.25 -0.64 -4.80 115.22 114.19 3ij3 n HIS 135 Ca -0.02 -0.06 -0.11 0.00 -0.26 0.00 0.00 57.72 57.26 3ij3 n HIS 135 Cb 0.16 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.21 3ij3 n HIS 135 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3ij3 h ARG 136 N 0.86 0.16 -0.03 -0.41 2.43 -1.00 -1.54 114.38 114.84 3ij3 h ARG 136 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3ij3 h ARG 136 Cb 0.24 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3ij3 h ARG 136 CO 0.00 0.17 0.01 -0.22 -1.51 0.00 0.00 179.97 178.42 3ij3 h LYS 137 N 0.10 0.05 -0.38 0.20 3.64 -1.87 -0.84 116.57 117.48 3ij3 h LYS 137 Ca 0.04 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3ij3 h LYS 137 Cb 0.06 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3ij3 h LYS 137 CO -0.01 0.22 0.16 -0.09 -2.27 0.00 0.00 179.45 177.46 3ij3 h ARG 138 N -0.12 0.56 -0.46 1.90 9.65 -1.88 0.78 114.38 124.80 3ij3 h ARG 138 Ca 0.01 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 58.73 3ij3 h ARG 138 Cb 0.19 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 3ij3 h ARG 138 CO -0.00 0.53 0.05 0.28 2.80 0.00 0.00 179.97 183.63 3ij3 h VAL 139 N 0.46 1.25 -0.09 0.20 2.07 -1.28 -2.17 116.25 116.70 3ij3 h VAL 139 Ca 0.13 -0.96 -0.17 0.00 0.82 0.00 0.00 66.70 66.52 3ij3 h VAL 139 Cb 0.17 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3ij3 h VAL 139 CO -0.01 0.33 -0.68 0.71 0.02 0.00 0.00 177.57 177.94 3ij3 h THR 140 N 0.64 1.37 -0.24 2.57 1.35 -1.02 0.15 112.91 117.73 3ij3 h THR 140 Ca 0.14 -2.07 0.03 0.00 -0.55 0.00 0.00 66.41 63.96 3ij3 h THR 140 Cb 0.42 2.05 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 3ij3 h THR 140 CO 0.01 0.62 0.06 0.44 -0.25 0.00 0.00 175.52 176.40 3ij3 h ASP 141 N 0.28 0.04 -0.35 5.36 3.32 -0.81 -0.26 116.42 123.99 3ij3 h ASP 141 Ca -0.02 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3ij3 h ASP 141 Cb 1.24 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 3ij3 h ASP 141 CO 0.12 0.05 -0.04 -0.50 -1.72 0.00 0.00 179.24 177.14 3ij3 h TRP 142 N 0.16 0.71 -0.16 4.55 4.06 -1.24 -2.24 115.95 121.79 3ij3 h TRP 142 Ca 0.11 -0.14 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 3ij3 h TRP 142 Cb 0.10 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 3ij3 h TRP 142 CO -0.15 0.78 0.07 1.25 -3.56 0.00 0.00 178.44 176.83 3ij3 h LEU 143 N 0.44 0.22 -1.12 -4.49 5.85 -0.81 0.33 115.31 115.74 3ij3 h LEU 143 Ca 0.09 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 3ij3 h LEU 143 Cb 0.53 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3ij3 h LEU 143 CO 0.03 0.31 0.01 0.71 -0.34 0.00 0.00 178.44 179.16 3ij3 h THR 144 N 0.12 1.21 -0.18 1.05 1.35 -1.09 0.98 112.91 116.35 3ij3 h THR 144 Ca 0.06 -0.86 -0.12 0.00 -0.55 0.00 0.00 66.41 64.94 3ij3 h THR 144 Cb 0.16 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 3ij3 h THR 144 CO -0.01 0.30 -0.36 0.74 -0.25 0.00 0.00 175.52 175.95 3ij3 h THR 145 N 0.59 1.34 -0.58 6.82 2.02 -1.16 -1.50 112.91 120.45 3ij3 h THR 145 Ca 0.12 -1.60 -0.09 0.00 0.77 0.00 0.00 66.41 65.61 3ij3 h THR 145 Cb 0.37 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 3ij3 h THR 145 CO 0.01 0.49 -0.00 0.40 0.37 0.00 0.00 175.52 176.79 3ij3 h ILE 146 N 0.22 1.27 -0.92 3.11 2.04 -0.69 -1.83 117.51 120.71 3ij3 h ILE 146 Ca 0.01 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.77 3ij3 h ILE 146 Cb 0.95 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 3ij3 h ILE 146 CO 0.08 0.41 0.59 1.88 0.00 0.00 0.00 178.15 181.11 3ij3 h TYR 147 N 0.92 1.11 -0.14 1.37 -1.99 -0.78 -0.23 116.97 117.23 3ij3 h TYR 147 Ca 0.16 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.92 3ij3 h TYR 147 Cb 0.55 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 3ij3 h TYR 147 CO 0.04 0.62 0.08 1.25 -0.00 0.00 0.00 178.16 180.15 3ij3 h LEU 148 N 1.13 0.16 -0.23 3.88 5.85 -0.90 0.15 115.31 125.35 3ij3 h LEU 148 Ca 0.38 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.06 3ij3 h LEU 148 Cb 0.05 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3ij3 h LEU 148 CO -0.13 0.17 0.09 0.40 -0.34 0.00 0.00 178.44 178.62 3ij3 h ILE 149 N 0.15 0.96 -0.55 4.05 2.04 -0.97 -0.38 117.51 122.81 3ij3 h ILE 149 Ca 0.05 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.85 3ij3 h ILE 149 Cb 0.03 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3ij3 h ILE 149 CO -0.01 0.04 0.35 0.03 0.00 0.00 0.00 178.15 178.56 3ij3 h ARG 150 N 0.20 0.70 -0.32 2.37 3.08 -0.91 -1.90 114.38 117.60 3ij3 h ARG 150 Ca 0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3ij3 h ARG 150 Cb 0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3ij3 h ARG 150 CO -0.09 0.46 0.17 -0.44 -1.07 0.00 0.00 179.97 179.00 3ij3 h ASP 151 N 0.72 0.41 -0.39 7.04 3.32 -0.34 0.25 116.42 127.43 3ij3 h ASP 151 Ca 0.20 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3ij3 h ASP 151 Cb -0.06 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3ij3 h ASP 151 CO -0.05 0.40 0.18 -0.07 -1.72 0.00 0.00 179.24 177.98 3ij3 h LEU 152 N 0.39 0.51 -0.33 1.55 3.38 -0.92 -1.10 115.31 118.80 3ij3 h LEU 152 Ca 0.11 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ij3 h LEU 152 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3ij3 h LEU 152 CO -0.02 0.50 0.06 0.40 0.09 0.00 0.00 178.44 179.48 3ij3 h ILE 153 N 0.49 1.23 0.00 1.22 2.04 -1.25 -3.06 117.51 118.18 3ij3 h ILE 153 Ca 0.13 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3ij3 h ILE 153 Cb 0.13 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3ij3 h ILE 153 CO -0.02 0.26 -0.15 0.78 0.00 0.00 0.00 178.15 179.03 3ij3 h ASN 154 N 0.38 0.00 -2.75 1.72 2.35 -0.77 -3.41 115.58 113.10 3ij3 h ASN 154 Ca 0.10 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.32 3ij3 h ASN 154 Cb 0.33 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.72 3ij3 h ASN 154 CO 0.00 0.15 0.95 -0.89 -1.65 0.00 0.00 177.43 175.99 3ij3 s THR 155 N -4.24 3.16 0.51 2.81 2.01 -0.43 -4.93 115.64 114.52 3ij3 s THR 155 Ca -0.03 0.62 -0.21 0.00 0.31 0.00 0.00 61.69 62.38 3ij3 s THR 155 Cb 0.13 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 3ij3 s THR 155 CO 0.61 0.00 0.76 -2.65 -0.69 0.00 0.00 174.62 172.65 3ij3 n PRO 156 N 5.42 0.84 -0.23 4.92 -0.02 -1.26 -4.70 135.00 139.97 3ij3 n PRO 156 Ca 0.15 0.31 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 3ij3 n PRO 156 Cb 0.41 -1.86 0.38 0.00 -0.02 0.00 0.00 33.50 32.41 3ij3 n PRO 156 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ij3 h ALA 157 N 0.76 1.81 -0.69 3.55 0.00 -1.84 -0.43 119.26 122.42 3ij3 h ALA 157 Ca -0.45 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.60 3ij3 h ALA 157 Cb 1.37 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3ij3 h ALA 157 CO 0.51 0.00 0.47 1.49 0.00 0.00 0.00 179.25 181.73 3ij3 h GLU 158 N 0.69 0.33 -0.50 0.00 4.57 -1.93 -1.32 114.58 116.43 3ij3 h GLU 158 Ca 0.39 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 3ij3 h GLU 158 Cb 0.55 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3ij3 h GLU 158 CO -0.16 0.22 0.00 -0.25 -1.18 0.00 0.00 179.01 177.64 3ij3 n ASP 159 N -4.46 3.63 -3.01 1.04 8.00 -0.22 -4.60 116.55 116.93 3ij3 n ASP 159 Ca 0.13 -2.17 -0.16 0.00 0.71 0.00 0.00 54.79 53.29 3ij3 n ASP 159 Cb 0.52 -0.39 -0.00 0.00 -0.02 0.00 0.00 41.12 41.22 3ij3 n ASP 159 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3ij3 n MET 160 N 0.85 0.85 -1.12 -1.24 1.56 -0.50 -4.90 117.12 112.61 3ij3 n MET 160 Ca 0.19 -2.70 -0.05 0.00 -0.27 0.00 0.00 57.70 54.87 3ij3 n MET 160 Cb 0.61 -1.37 0.02 0.00 2.15 0.00 0.00 33.22 34.63 3ij3 n MET 160 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3ij3 n GLY 161 N 0.97 1.03 0.33 -5.12 0.00 -1.18 -4.71 105.19 96.51 3ij3 n GLY 161 Ca 0.17 -2.01 0.05 0.00 0.00 0.00 0.00 46.02 44.22 3ij3 n GLY 161 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ij3 h PRO 162 N 0.00 0.84 -0.49 1.61 0.11 -1.86 -0.95 132.00 131.26 3ij3 h PRO 162 Ca -0.07 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.90 3ij3 h PRO 162 Cb 0.26 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3ij3 h PRO 162 CO 0.08 0.55 -0.08 1.03 -0.21 0.00 0.00 178.00 179.37 3ij3 h SER 163 N 0.86 0.88 0.09 -2.05 0.87 -1.94 -0.16 113.55 112.11 3ij3 h SER 163 Ca 0.44 -0.26 -0.15 0.00 -1.23 0.00 0.00 61.79 60.59 3ij3 h SER 163 Cb 0.43 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3ij3 h SER 163 CO -0.26 0.99 -0.51 -0.33 -0.53 0.00 0.00 176.83 176.18 3ij3 h GLU 164 N 0.80 0.47 -0.27 2.24 3.07 -1.74 -1.35 114.58 117.81 3ij3 h GLU 164 Ca 0.14 -0.28 -0.06 0.00 -0.50 0.00 0.00 59.36 58.65 3ij3 h GLU 164 Cb 0.60 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 3ij3 h GLU 164 CO 0.04 0.87 -0.08 1.25 -1.40 0.00 0.00 179.01 179.69 3ij3 h LEU 165 N 0.37 0.53 -0.76 1.33 5.85 -0.97 -0.93 115.31 120.74 3ij3 h LEU 165 Ca 0.01 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.39 3ij3 h LEU 165 Cb 1.03 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 3ij3 h LEU 165 CO 0.09 0.79 0.47 0.00 -0.34 0.00 0.00 178.44 179.45 3ij3 h ALA 166 N 0.76 1.00 -0.87 1.25 0.00 -0.96 -1.72 119.26 118.72 3ij3 h ALA 166 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ij3 h ALA 166 Cb 0.56 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3ij3 h ALA 166 CO 0.03 0.25 0.47 0.37 0.00 0.00 0.00 179.25 180.37 3ij3 h GLN 167 N 0.91 1.22 -0.71 0.00 5.75 -1.03 -0.84 115.11 120.40 3ij3 h GLN 167 Ca 0.31 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3ij3 h GLN 167 Cb 0.05 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3ij3 h GLN 167 CO -0.12 0.90 0.40 0.00 -2.65 0.00 0.00 178.83 177.35 3ij3 h ALA 168 N 1.25 0.91 -0.45 3.38 0.00 -0.60 0.41 119.26 124.16 3ij3 h ALA 168 Ca 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ij3 h ALA 168 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3ij3 h ALA 168 CO -0.05 0.41 0.21 0.28 0.00 0.00 0.00 179.25 180.11 3ij3 h VAL 169 N 0.97 1.18 -0.76 0.00 2.07 -0.94 -1.82 116.25 116.96 3ij3 h VAL 169 Ca 0.25 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3ij3 h VAL 169 Cb 0.02 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3ij3 h VAL 169 CO -0.04 0.20 0.40 0.11 0.02 0.00 0.00 177.57 178.26 3ij3 h LYS 170 N 0.59 1.07 -0.35 1.57 1.57 -0.72 -0.21 116.57 120.08 3ij3 h LYS 170 Ca 0.15 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3ij3 h LYS 170 Cb 0.12 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3ij3 h LYS 170 CO -0.02 0.79 0.12 0.45 -0.57 0.00 0.00 179.45 180.23 3ij3 h HIS 171 N 1.07 0.55 -0.68 -1.35 3.86 -0.59 -1.96 115.15 116.05 3ij3 h HIS 171 Ca 0.27 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3ij3 h HIS 171 Cb 0.05 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 3ij3 h HIS 171 CO 0.01 0.52 0.38 0.28 0.86 0.00 0.00 177.93 179.98 3ij3 h VAL 172 N 0.41 1.21 -0.81 2.45 2.07 -0.99 -2.95 116.25 117.65 3ij3 h VAL 172 Ca 0.11 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3ij3 h VAL 172 Cb 0.22 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3ij3 h VAL 172 CO -0.01 0.23 0.53 0.00 0.02 0.00 0.00 177.57 178.35 3ij3 h ALA 173 N 1.19 1.47 0.00 1.67 0.00 -0.83 -1.97 119.26 120.79 3ij3 h ALA 173 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ij3 h ALA 173 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3ij3 h ALA 173 CO -0.04 0.47 -0.07 -0.22 0.00 0.00 0.00 179.25 179.39 3ij3 h LYS 174 N 1.04 0.00 0.00 0.00 1.63 -1.18 -0.57 116.57 117.49 3ij3 h LYS 174 Ca 0.31 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.05 3ij3 h LYS 174 Cb -0.04 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3ij3 h LYS 174 CO -0.08 0.07 -0.30 0.93 -3.45 0.00 0.00 179.45 176.62 3ij3 h GLU 175 N 0.00 0.00 0.00 1.90 5.08 -1.37 -3.30 114.58 116.89 3ij3 h GLU 175 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ij3 h GLU 175 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3ij3 h GLU 175 CO 0.01 0.30 -0.00 1.19 -1.00 0.00 0.00 179.01 179.51 3ij3 n PHE 176 N -3.74 0.00 -2.46 4.33 3.72 -0.65 -5.01 117.46 113.65 3ij3 n PHE 176 Ca -0.01 -0.37 -0.21 0.00 -0.05 0.00 0.00 57.45 56.80 3ij3 n PHE 176 Cb 0.40 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.89 3ij3 n PHE 176 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3ij3 n GLU 177 N -0.37 -2.01 -1.93 -1.08 1.02 -0.33 -4.98 120.64 110.96 3ij3 n GLU 177 Ca 0.00 1.01 -0.32 0.00 -0.02 0.00 0.00 57.16 57.83 3ij3 n GLU 177 Cb 0.32 -5.70 0.02 0.00 -0.02 0.00 0.00 31.44 26.06 3ij3 n GLU 177 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ij3 s ALA 178 N -3.06 2.82 -0.08 0.62 0.00 -0.57 -5.01 121.76 116.48 3ij3 s ALA 178 Ca 0.03 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 3ij3 s ALA 178 Cb -0.01 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3ij3 s ALA 178 CO 0.04 -0.83 0.15 -1.59 0.00 0.00 0.00 175.76 173.53 3ij3 s LYS 179 N -4.53 3.43 -0.05 0.00 -2.85 -0.24 -4.68 119.74 110.83 3ij3 s LYS 179 Ca 0.60 -0.20 0.02 0.00 -1.00 0.00 0.00 55.97 55.38 3ij3 s LYS 179 Cb -0.14 -3.15 0.01 0.00 -2.06 0.00 0.00 37.83 32.50 3ij3 s LYS 179 CO 0.44 0.74 -0.09 0.08 0.10 0.00 0.00 175.35 176.62 3ij3 s VAL 180 N -1.14 0.83 -0.07 1.79 1.01 -1.26 -0.82 120.40 120.74 3ij3 s VAL 180 Ca 0.19 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3ij3 s VAL 180 Cb -0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3ij3 s VAL 180 CO 0.09 0.28 -0.20 -0.75 0.00 0.00 0.00 175.10 174.52 3ij3 s LYS 181 N 0.59 2.67 -0.19 2.72 2.20 0.02 -5.00 119.74 122.76 3ij3 s LYS 181 Ca -0.10 -0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 54.68 3ij3 s LYS 181 Cb -0.13 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 3ij3 s LYS 181 CO 0.02 0.42 -0.12 0.42 -0.36 0.00 0.00 175.35 175.72 3ij3 s ILE 182 N -0.23 2.80 -0.23 5.43 -1.09 -1.26 -1.11 121.20 125.51 3ij3 s ILE 182 Ca -0.01 -0.70 -0.09 0.00 -2.23 0.00 0.00 60.65 57.62 3ij3 s ILE 182 Cb -0.13 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 3ij3 s ILE 182 CO 0.03 0.49 0.12 -0.63 -1.23 0.00 0.00 174.94 173.71 3ij3 s ILE 183 N 1.20 4.95 0.34 2.92 1.09 0.14 -4.95 121.20 126.89 3ij3 s ILE 183 Ca 0.02 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.61 3ij3 s ILE 183 Cb -0.14 -3.30 -0.01 0.00 -1.06 0.00 0.00 42.46 37.95 3ij3 s ILE 183 CO -0.05 0.36 0.42 -1.83 -0.10 0.00 0.00 174.94 173.74 3ij3 s GLU 184 N 1.14 1.87 2.16 2.79 -1.05 -1.26 -1.47 118.70 122.87 3ij3 s GLU 184 Ca 0.06 -1.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.04 3ij3 s GLU 184 Cb -0.14 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 3ij3 s GLU 184 CO 0.04 -0.75 0.00 0.43 0.95 0.00 0.00 175.26 175.93 3ij3 n SER 185 N -1.45 0.00 0.01 0.83 7.64 -1.26 -2.66 113.62 116.73 3ij3 n SER 185 Ca 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.89 3ij3 n SER 185 Cb 0.62 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 64.07 3ij3 n SER 185 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3ij3 h LYS 186 N 0.00 0.50 -0.18 1.43 1.79 -1.99 -0.89 116.57 117.24 3ij3 h LYS 186 Ca 0.00 -0.14 -0.15 0.00 -2.18 0.00 0.00 60.65 58.18 3ij3 h LYS 186 Cb 0.00 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 3ij3 h LYS 186 CO 0.00 0.61 -0.51 0.22 -1.08 0.00 0.00 179.45 178.69 3ij3 h ASP 187 N 0.47 0.55 -0.26 0.86 3.58 -1.92 -2.09 116.42 117.62 3ij3 h ASP 187 Ca 0.09 -0.28 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 3ij3 h ASP 187 Cb 0.47 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3ij3 h ASP 187 CO 0.03 0.96 -0.01 0.25 -2.88 0.00 0.00 179.24 177.59 3ij3 h LEU 188 N 0.39 0.45 -0.94 2.28 5.85 -1.32 0.38 115.31 122.41 3ij3 h LEU 188 Ca 0.02 -0.32 0.11 0.00 0.84 0.00 0.00 57.88 58.52 3ij3 h LEU 188 Cb 1.03 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 3ij3 h LEU 188 CO 0.09 0.66 0.57 -0.08 -0.34 0.00 0.00 178.44 179.35 3ij3 h GLU 189 N 0.23 0.90 0.09 1.25 4.81 -1.00 0.93 114.58 121.79 3ij3 h GLU 189 Ca 0.07 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3ij3 h GLU 189 Cb 0.44 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.63 3ij3 h GLU 189 CO 0.02 0.60 -0.56 1.15 -0.73 0.00 0.00 179.01 179.49 3ij3 h THR 190 N 0.93 1.60 0.01 0.32 2.02 -1.24 -3.33 112.91 113.23 3ij3 h THR 190 Ca 0.46 -2.47 -0.28 0.00 0.77 0.00 0.00 66.41 64.89 3ij3 h THR 190 Cb 0.43 3.25 -0.04 0.00 -1.74 0.00 0.00 68.15 70.04 3ij3 h THR 190 CO -0.26 0.68 -1.60 -0.33 0.37 0.00 0.00 175.52 174.38 3ij3 h GLU 191 N -0.56 0.02 -2.13 6.66 4.39 -0.79 -3.39 114.58 118.77 3ij3 h GLU 191 Ca -0.10 -0.04 -0.55 0.00 0.34 0.00 0.00 59.36 59.01 3ij3 h GLU 191 Cb 1.43 0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 29.69 3ij3 h GLU 191 CO 0.10 0.63 -0.88 1.19 -1.16 0.00 0.00 179.01 178.90 3ij3 n PHE 192 N -3.13 2.07 0.22 4.33 3.72 0.31 -4.53 117.46 120.44 3ij3 n PHE 192 Ca -0.15 -3.90 0.14 0.00 -0.05 0.00 0.00 57.45 53.49 3ij3 n PHE 192 Cb 1.03 -0.46 0.76 0.00 -0.94 0.00 0.00 39.48 39.87 3ij3 n PHE 192 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ij3 h PRO 193 N 3.39 0.00 -0.03 -1.08 0.13 -1.66 -2.18 132.00 130.57 3ij3 h PRO 193 Ca 0.12 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.04 3ij3 h PRO 193 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3ij3 h PRO 193 CO 0.67 0.00 -0.88 0.00 -0.23 0.00 0.00 178.00 177.55 3ij3 h ALA 194 N 1.90 0.41 -0.42 -0.56 0.00 -1.87 -0.19 119.26 118.54 3ij3 h ALA 194 Ca 0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 3ij3 h ALA 194 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ij3 h ALA 194 CO -0.00 0.79 0.10 0.82 0.00 0.00 0.00 179.25 180.96 3ij3 h ILE 195 N 0.26 1.23 -0.36 0.00 2.04 -1.67 -2.88 117.51 116.13 3ij3 h ILE 195 Ca -0.07 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3ij3 h ILE 195 Cb 1.51 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3ij3 h ILE 195 CO 0.15 0.28 0.17 0.22 0.00 0.00 0.00 178.15 178.98 3ij3 h TYR 196 N 0.54 0.52 -0.64 1.37 3.20 -1.33 -2.39 116.97 118.24 3ij3 h TYR 196 Ca 0.13 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3ij3 h TYR 196 Cb 0.32 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3ij3 h TYR 196 CO 0.02 0.45 0.39 0.00 -1.64 0.00 0.00 178.16 177.37 3ij3 h ALA 197 N 1.02 0.83 -0.27 1.82 0.00 -0.96 -0.50 119.26 121.20 3ij3 h ALA 197 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3ij3 h ALA 197 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ij3 h ALA 197 CO -0.02 0.12 0.02 0.28 0.00 0.00 0.00 179.25 179.66 3ij3 h VAL 198 N 0.75 1.25 -0.04 0.00 2.07 -1.42 -3.27 116.25 115.58 3ij3 h VAL 198 Ca 0.26 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3ij3 h VAL 198 Cb 0.05 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3ij3 h VAL 198 CO -0.11 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3ij3 n GLY 199 N -0.38 0.10 0.28 2.17 0.00 -0.91 -4.46 105.19 101.99 3ij3 n GLY 199 Ca -0.03 -0.45 0.17 0.00 0.00 0.00 0.00 46.02 45.70 3ij3 n GLY 199 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ij3 h ARG 200 N 2.46 0.00 0.00 1.61 0.11 -1.15 -2.66 114.38 114.76 3ij3 h ARG 200 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3ij3 h ARG 200 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 3ij3 h ARG 200 CO 0.00 0.04 -0.04 0.00 0.10 0.00 0.00 179.97 180.07 3ij3 h ALA 201 N 1.96 0.98 -2.32 0.08 0.00 -1.78 -3.47 119.26 114.70 3ij3 h ALA 201 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3ij3 h ALA 201 Cb 0.47 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.31 3ij3 h ALA 201 CO 0.01 0.00 0.38 0.20 0.00 0.00 0.00 179.25 179.84 3ij3 s GLY 202 N -3.75 2.27 0.36 0.00 0.00 -1.00 -4.72 107.32 100.47 3ij3 s GLY 202 Ca 0.09 0.45 0.27 0.00 0.00 0.00 0.00 44.72 45.54 3ij3 s GLY 202 CO 0.62 0.77 1.80 1.48 0.00 0.00 0.00 173.10 177.77 3ij3 h SER 203 N 0.91 0.00 -3.62 1.64 4.64 -1.90 -3.39 113.55 111.83 3ij3 h SER 203 Ca -0.48 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.16 3ij3 h SER 203 Cb 1.22 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.03 3ij3 h SER 203 CO 0.58 0.00 -0.64 -0.13 -0.87 0.00 0.00 176.83 175.77 3ij3 s ARG 204 N -3.39 2.90 0.70 4.77 0.52 -1.26 -5.09 118.95 118.09 3ij3 s ARG 204 Ca 0.04 -0.98 -0.15 0.00 -0.52 0.00 0.00 55.73 54.12 3ij3 s ARG 204 Cb 0.09 -3.33 0.02 0.00 0.52 0.00 0.00 34.95 32.26 3ij3 s ARG 204 CO 0.49 -0.50 1.16 -1.25 0.02 0.00 0.00 175.30 175.21 3ij3 s PRO 205 N 1.44 2.43 0.64 3.54 0.04 -1.26 -4.61 135.00 137.21 3ij3 s PRO 205 Ca 0.01 1.58 -0.13 0.00 0.04 0.00 0.00 61.00 62.50 3ij3 s PRO 205 Cb -0.18 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3ij3 s PRO 205 CO 0.01 -1.57 1.05 -1.25 0.04 0.00 0.00 177.00 175.28 3ij3 s PRO 206 N -4.01 3.24 0.23 0.56 0.04 -1.26 -4.76 135.00 129.04 3ij3 s PRO 206 Ca 0.71 0.98 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 3ij3 s PRO 206 Cb -0.25 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.29 3ij3 s PRO 206 CO 0.44 -0.86 0.60 -0.48 0.04 0.00 0.00 177.00 176.73 3ij3 s LEU 207 N -5.09 -0.07 -0.12 -3.56 0.05 -0.28 -4.25 118.68 105.35 3ij3 s LEU 207 Ca 0.59 -0.57 0.02 0.00 0.05 0.00 0.00 54.13 54.22 3ij3 s LEU 207 Cb -0.14 2.35 0.01 0.00 -2.05 0.00 0.00 46.19 46.36 3ij3 s LEU 207 CO 0.48 -1.18 -0.19 -0.22 -0.55 0.00 0.00 176.35 174.69 3ij3 s LEU 208 N -2.91 1.94 -0.16 1.48 2.96 -0.54 -0.54 118.68 120.90 3ij3 s LEU 208 Ca 0.12 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 3ij3 s LEU 208 Cb -0.03 -1.28 -0.05 0.00 0.50 0.00 0.00 46.19 45.33 3ij3 s LEU 208 CO 0.02 0.06 0.25 -0.63 -1.32 0.00 0.00 176.35 174.73 3ij3 s ILE 209 N 0.85 5.33 -0.27 6.68 1.01 0.02 -0.68 121.20 134.14 3ij3 s ILE 209 Ca -0.08 0.45 -0.02 0.00 0.00 0.00 0.00 60.65 61.00 3ij3 s ILE 209 Cb -0.15 -3.58 0.09 0.00 0.01 0.00 0.00 42.46 38.82 3ij3 s ILE 209 CO -0.01 0.43 0.09 -0.62 0.00 0.00 0.00 174.94 174.83 3ij3 s ASP 210 N 0.26 3.57 -0.07 3.58 -1.08 -0.26 -0.91 116.67 121.75 3ij3 s ASP 210 Ca 0.15 -1.31 -0.02 0.00 -0.52 0.00 0.00 52.55 50.85 3ij3 s ASP 210 Cb -0.13 -0.65 -0.03 0.00 -1.46 0.00 0.00 42.92 40.65 3ij3 s ASP 210 CO 0.03 -0.39 0.02 -0.22 0.52 0.00 0.00 175.17 175.13 3ij3 s LEU 211 N 1.82 3.65 0.02 -1.34 0.20 0.16 -0.80 118.68 122.39 3ij3 s LEU 211 Ca 0.06 0.15 0.03 0.00 0.69 0.00 0.00 54.13 55.07 3ij3 s LEU 211 Cb -0.17 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.69 3ij3 s LEU 211 CO -0.23 0.36 -0.10 -0.54 -0.29 0.00 0.00 176.35 175.55 3ij3 s LYS 212 N -1.02 0.73 -0.05 1.98 1.02 -0.00 -0.48 119.74 121.93 3ij3 s LYS 212 Ca 0.15 -0.60 -0.24 0.00 0.02 0.00 0.00 55.97 55.30 3ij3 s LYS 212 Cb -0.11 -0.68 0.05 0.00 -0.52 0.00 0.00 37.83 36.57 3ij3 s LYS 212 CO 0.04 0.17 0.53 -0.46 -0.92 0.00 0.00 175.35 174.70 3ij3 s TRP 213 N -0.75 -0.47 0.00 3.18 -0.00 -0.40 -1.08 118.94 119.43 3ij3 s TRP 213 Ca -0.01 0.81 0.00 0.00 -0.00 0.00 0.00 56.10 56.91 3ij3 s TRP 213 Cb -0.07 0.28 0.00 0.00 -0.00 0.00 0.00 33.47 33.68 3ij3 s TRP 213 CO 0.01 -0.51 0.00 0.41 -0.00 0.00 0.00 176.95 176.86 3ij3 n GLY 214 N 1.16 1.55 3.70 5.86 0.00 -1.26 -0.55 105.19 115.64 3ij3 n GLY 214 Ca -0.20 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 3ij3 n GLY 214 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ij3 s ASP 215 N 0.00 6.60 0.46 1.61 -1.08 -1.26 -4.89 116.67 118.12 3ij3 s ASP 215 Ca 0.00 2.51 0.31 0.00 -0.52 0.00 0.00 52.55 54.86 3ij3 s ASP 215 Cb 0.00 -2.57 1.56 0.00 -1.46 0.00 0.00 42.92 40.45 3ij3 s ASP 215 CO 0.00 -0.87 1.95 -0.29 0.52 0.00 0.00 175.17 176.48 3ij3 h ILE 216 N 4.61 0.00 0.00 4.11 6.09 -1.93 -1.74 117.51 128.65 3ij3 h ILE 216 Ca -0.43 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 3ij3 h ILE 216 Cb 1.20 0.92 0.00 0.00 0.47 0.00 0.00 36.82 39.41 3ij3 h ILE 216 CO 0.92 0.00 -0.42 0.29 -3.07 0.00 0.00 178.15 175.87 3ij3 n LYS 217 N -2.66 0.06 -1.99 2.19 4.76 -1.26 -4.94 118.16 114.32 3ij3 n LYS 217 Ca -0.01 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.15 3ij3 n LYS 217 Cb 0.13 -1.54 0.02 0.00 -1.84 0.00 0.00 35.03 31.80 3ij3 n LYS 217 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ij3 s ALA 218 N -3.03 3.08 0.36 7.82 0.00 -0.65 -5.00 121.76 124.34 3ij3 s ALA 218 Ca 0.11 -0.25 -0.28 0.00 0.00 0.00 0.00 51.96 51.53 3ij3 s ALA 218 Cb 0.17 -2.98 -0.11 0.00 0.00 0.00 0.00 23.12 20.20 3ij3 s ALA 218 CO 0.67 -0.80 1.51 -2.30 0.00 0.00 0.00 175.76 174.84 3ij3 n PRO 219 N -2.76 2.68 -2.84 0.00 -0.02 -1.26 -4.09 135.00 126.71 3ij3 n PRO 219 Ca 0.06 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 62.06 3ij3 n PRO 219 Cb 0.55 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 3ij3 n PRO 219 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ij3 s LYS 220 N -1.79 4.22 -0.20 -0.52 1.02 -1.26 -0.66 119.74 120.55 3ij3 s LYS 220 Ca 0.55 1.05 -0.01 0.00 0.02 0.00 0.00 55.97 57.58 3ij3 s LYS 220 Cb -0.48 -3.63 0.01 0.00 -0.52 0.00 0.00 37.83 33.21 3ij3 s LYS 220 CO 0.61 -0.52 -0.14 0.08 -0.92 0.00 0.00 175.35 174.46 3ij3 s VAL 221 N 2.82 2.57 -0.14 3.17 1.01 -0.50 -0.60 120.40 128.74 3ij3 s VAL 221 Ca 0.37 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3ij3 s VAL 221 Cb -0.15 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 3ij3 s VAL 221 CO 0.08 0.49 -0.17 -0.89 0.00 0.00 0.00 175.10 174.61 3ij3 s THR 222 N 1.36 2.58 -0.11 3.92 2.01 -0.26 -1.96 115.64 123.19 3ij3 s THR 222 Ca 0.05 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 3ij3 s THR 222 Cb -0.13 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 3ij3 s THR 222 CO -0.09 0.53 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.58 3ij3 s LEU 223 N 0.69 3.40 -0.06 4.42 1.43 0.32 -0.97 118.68 127.91 3ij3 s LEU 223 Ca -0.08 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3ij3 s LEU 223 Cb -0.16 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.28 3ij3 s LEU 223 CO 0.02 0.29 -0.15 -0.69 0.23 0.00 0.00 176.35 176.05 3ij3 s VAL 224 N -0.38 1.33 -0.03 -1.59 1.01 0.13 -0.59 120.40 120.28 3ij3 s VAL 224 Ca 0.07 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3ij3 s VAL 224 Cb -0.12 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3ij3 s VAL 224 CO 0.02 0.39 -0.05 -0.83 0.00 0.00 0.00 175.10 174.64 3ij3 s GLY 225 N 0.36 0.36 -0.27 4.51 0.00 -0.58 -1.00 107.32 110.70 3ij3 s GLY 225 Ca -0.10 -0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.22 3ij3 s GLY 225 CO 0.04 0.18 1.54 1.25 0.00 0.00 0.00 173.10 176.10 3ij3 s LYS 226 N 0.47 3.75 -0.79 2.90 2.20 -0.80 -3.72 119.74 123.75 3ij3 s LYS 226 Ca -0.06 1.47 0.01 0.00 -0.36 0.00 0.00 55.97 57.03 3ij3 s LYS 226 Cb -0.09 -4.02 0.35 0.00 -1.51 0.00 0.00 37.83 32.56 3ij3 s LYS 226 CO -0.00 -1.34 1.63 0.41 -0.36 0.00 0.00 175.35 175.68 3ij3 n GLY 227 N 4.71 5.83 3.49 5.54 0.00 -0.35 -1.91 105.19 122.49 3ij3 n GLY 227 Ca 0.18 -2.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.16 3ij3 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ij3 s VAL 228 N -4.82 4.17 0.44 1.61 1.01 -1.05 -1.54 120.40 120.21 3ij3 s VAL 228 Ca 0.47 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.14 3ij3 s VAL 228 Cb 0.32 -4.82 0.26 0.00 0.00 0.00 0.00 36.38 32.15 3ij3 s VAL 228 CO -0.24 -1.64 2.08 0.00 0.00 0.00 0.00 175.10 175.30 3ij3 s PHE 230 N -5.37 -0.55 -0.30 0.00 5.36 -1.26 -4.44 117.98 111.42 3ij3 s PHE 230 Ca -0.07 1.26 0.03 0.00 -0.96 0.00 0.00 56.93 57.18 3ij3 s PHE 230 Cb 0.17 0.22 0.08 0.00 -0.34 0.00 0.00 43.02 43.15 3ij3 s PHE 230 CO 0.72 -0.29 -0.02 0.34 -1.46 0.00 0.00 175.22 174.51 3ij3 s ASP 231 N 0.73 4.65 0.14 6.13 2.15 -1.24 -1.07 116.67 128.16 3ij3 s ASP 231 Ca -0.04 -1.75 0.26 0.00 0.43 0.00 0.00 52.55 51.45 3ij3 s ASP 231 Cb -0.05 -1.61 0.75 0.00 -0.30 0.00 0.00 42.92 41.71 3ij3 s ASP 231 CO -0.05 -0.29 1.66 -1.54 -0.17 0.00 0.00 175.17 174.78 3ij3 n SER 232 N 4.37 0.62 0.00 -0.34 3.41 -0.75 -4.83 113.62 116.10 3ij3 n SER 232 Ca -0.06 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3ij3 n SER 232 Cb 0.42 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3ij3 n SER 232 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ij3 n GLY 233 N 1.36 2.51 7.00 5.00 0.00 -1.26 -1.43 105.19 118.37 3ij3 n GLY 233 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ij3 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ij3 n GLY 234 N -2.00 -0.72 0.36 -0.02 0.00 -1.26 -2.43 105.19 99.12 3ij3 n GLY 234 Ca 0.00 -1.15 0.16 0.00 0.00 0.00 0.00 46.02 45.03 3ij3 n GLY 234 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ij3 h LEU 235 N 0.00 0.16 -6.23 0.99 3.38 -1.82 -2.03 115.31 109.76 3ij3 h LEU 235 Ca 0.00 0.01 -0.74 0.00 0.09 0.00 0.00 57.88 57.24 3ij3 h LEU 235 Cb 0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 3ij3 h LEU 235 CO 0.00 0.09 2.53 0.47 0.09 0.00 0.00 178.44 181.63 3ij3 n ASP 236 N -4.43 4.57 -4.77 -0.43 8.00 -1.25 -4.97 116.55 113.26 3ij3 n ASP 236 Ca 0.09 -2.99 -0.41 0.00 0.71 0.00 0.00 54.79 52.19 3ij3 n ASP 236 Cb 0.48 -1.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.01 3ij3 n ASP 236 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3ij3 s ILE 237 N 1.63 2.37 0.76 0.53 2.07 -0.76 -4.54 121.20 123.25 3ij3 s ILE 237 Ca 0.43 0.37 -0.11 0.00 -1.41 0.00 0.00 60.65 59.94 3ij3 s ILE 237 Cb 0.12 -3.24 0.05 0.00 0.13 0.00 0.00 42.46 39.52 3ij3 s ILE 237 CO -0.04 0.09 1.08 -0.54 -1.91 0.00 0.00 174.94 173.62 3ij3 s LYS 238 N -1.98 2.41 0.74 3.50 1.02 -0.52 -4.97 119.74 119.95 3ij3 s LYS 238 Ca 0.51 1.09 -0.11 0.00 0.02 0.00 0.00 55.97 57.49 3ij3 s LYS 238 Cb -0.43 -1.92 0.03 0.00 -0.52 0.00 0.00 37.83 34.99 3ij3 s LYS 238 CO 0.58 -1.51 1.07 0.95 -0.92 0.00 0.00 175.35 175.52 3ij3 s THR 239 N -2.95 3.65 0.21 2.17 -4.23 -1.26 -4.83 115.64 108.40 3ij3 s THR 239 Ca 0.60 0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 61.55 3ij3 s THR 239 Cb -0.16 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.63 3ij3 s THR 239 CO 0.56 -0.70 1.85 -0.65 -0.54 0.00 0.00 174.62 175.14 3ij3 h PRO 240 N -0.92 0.86 -0.95 3.99 0.11 -1.99 -0.41 132.00 132.70 3ij3 h PRO 240 Ca -0.44 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3ij3 h PRO 240 Cb 1.23 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 3ij3 h PRO 240 CO 0.56 0.57 0.63 0.78 -0.21 0.00 0.00 178.00 180.32 3ij3 h GLY 241 N 0.88 1.35 2.00 -0.55 0.00 -2.01 -1.69 103.07 103.05 3ij3 h GLY 241 Ca 0.29 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3ij3 h GLY 241 CO -0.11 0.45 -0.32 -1.33 0.00 0.00 0.00 176.54 175.23 3ij3 h GLY 242 N 1.25 0.00 0.74 4.60 0.00 -1.58 -3.21 103.07 104.87 3ij3 h GLY 242 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3ij3 h GLY 242 CO -0.09 0.00 -1.00 -0.13 0.00 0.00 0.00 176.54 175.32 3ij3 n MET 243 N -3.60 0.36 -0.35 4.80 0.00 -0.29 -4.49 117.12 113.56 3ij3 n MET 243 Ca -0.01 0.02 0.06 0.00 0.00 0.00 0.00 57.70 57.78 3ij3 n MET 243 Cb 0.44 -1.65 0.22 0.00 0.00 0.00 0.00 33.22 32.24 3ij3 n MET 243 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3ij3 h LEU 244 N 0.00 0.86 -2.62 -0.89 5.85 -1.33 -1.67 115.31 115.52 3ij3 h LEU 244 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3ij3 h LEU 244 Cb 0.79 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3ij3 h LEU 244 CO 0.00 0.46 0.00 0.18 -0.34 0.00 0.00 178.44 178.74 3ij3 n LEU 245 N -4.65 3.88 0.00 2.25 4.77 -1.26 -4.67 117.00 117.32 3ij3 n LEU 245 Ca 0.18 -1.95 0.06 0.00 -0.03 0.00 0.00 56.01 54.27 3ij3 n LEU 245 Cb 0.34 -0.49 0.28 0.00 -2.33 0.00 0.00 43.42 41.23 3ij3 n LEU 245 CO 0.27 0.85 0.64 0.23 -1.33 0.00 0.00 177.39 178.05 3ij3 n MET 246 N 1.33 0.13 0.31 3.23 2.81 -0.63 -0.78 117.12 123.53 3ij3 n MET 246 Ca 0.23 0.20 0.21 0.00 -1.81 0.00 0.00 57.70 56.53 3ij3 n MET 246 Cb 0.66 -1.50 1.10 0.00 -0.71 0.00 0.00 33.22 32.77 3ij3 n MET 246 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3ij3 h LYS 247 N 0.00 0.00 -0.03 0.03 2.10 -1.83 -2.37 116.57 114.48 3ij3 h LYS 247 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ij3 h LYS 247 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3ij3 h LYS 247 CO 0.00 0.00 0.00 0.36 -2.00 0.00 0.00 179.45 177.81 3ij3 n LYS 248 N -2.99 1.41 0.00 0.07 2.85 0.04 -4.10 118.16 115.43 3ij3 n LYS 248 Ca -0.02 -0.59 0.06 0.00 -1.05 0.00 0.00 58.31 56.70 3ij3 n LYS 248 Cb 0.09 -1.46 0.37 0.00 -0.65 0.00 0.00 35.03 33.38 3ij3 n LYS 248 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3ij3 n ASP 249 N -0.26 0.00 -1.22 -5.58 2.03 -0.89 -0.80 116.55 109.83 3ij3 n ASP 249 Ca 0.20 -0.91 0.09 0.00 0.52 0.00 0.00 54.79 54.69 3ij3 n ASP 249 Cb 0.25 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 40.94 3ij3 n ASP 249 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3ij3 n MET 250 N -0.80 3.31 0.12 -0.67 0.00 -0.65 -2.54 117.12 115.89 3ij3 n MET 250 Ca 0.09 -2.66 0.06 0.00 0.00 0.00 0.00 57.70 55.19 3ij3 n MET 250 Cb 0.04 -1.70 0.53 0.00 0.00 0.00 0.00 33.22 32.08 3ij3 n MET 250 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3ij3 h GLY 251 N 3.22 0.30 1.13 3.17 0.00 -1.13 -1.66 103.07 108.09 3ij3 h GLY 251 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 3ij3 h GLY 251 CO 0.15 0.11 -0.06 -1.33 0.00 0.00 0.00 176.54 175.42 3ij3 h GLY 252 N 0.30 1.12 0.96 4.60 0.00 -1.77 -0.56 103.07 107.71 3ij3 h GLY 252 Ca 0.08 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 3ij3 h GLY 252 CO -0.02 0.79 0.16 0.00 0.00 0.00 0.00 176.54 177.47 3ij3 h ALA 253 N 0.99 0.59 -0.71 3.60 0.00 -0.63 0.04 119.26 123.13 3ij3 h ALA 253 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ij3 h ALA 253 Cb 0.61 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3ij3 h ALA 253 CO 0.04 0.22 0.46 0.00 0.00 0.00 0.00 179.25 179.97 3ij3 h ALA 254 N 1.01 0.91 -0.27 0.00 0.00 -0.92 0.54 119.26 120.53 3ij3 h ALA 254 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ij3 h ALA 254 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ij3 h ALA 254 CO -0.01 0.35 0.12 0.45 0.00 0.00 0.00 179.25 180.16 3ij3 h HIS 255 N 0.97 0.40 -0.67 0.00 3.86 -0.86 0.11 115.15 118.96 3ij3 h HIS 255 Ca 0.26 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 3ij3 h HIS 255 Cb -0.08 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 3ij3 h HIS 255 CO -0.02 0.39 0.32 0.00 0.86 0.00 0.00 177.93 179.49 3ij3 h ALA 256 N 0.97 0.86 -0.64 2.45 0.00 -0.71 0.23 119.26 122.42 3ij3 h ALA 256 Ca 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ij3 h ALA 256 Cb 0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3ij3 h ALA 256 CO -0.01 0.43 0.22 1.25 0.00 0.00 0.00 179.25 181.14 3ij3 h LEU 257 N 0.93 0.91 -0.53 0.00 5.85 -0.74 -1.01 115.31 120.72 3ij3 h LEU 257 Ca 0.23 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3ij3 h LEU 257 Cb 0.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3ij3 h LEU 257 CO -0.03 0.86 0.12 1.23 -0.34 0.00 0.00 178.44 180.29 3ij3 h GLY 258 N 0.91 0.92 0.96 3.75 0.00 -0.39 -0.11 103.07 109.12 3ij3 h GLY 258 Ca 0.21 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3ij3 h GLY 258 CO -0.01 0.55 0.18 -2.00 0.00 0.00 0.00 176.54 175.25 3ij3 h LEU 259 N 0.75 0.66 -0.47 3.11 5.85 -0.86 -1.25 115.31 123.10 3ij3 h LEU 259 Ca 0.17 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.77 3ij3 h LEU 259 Cb 0.35 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3ij3 h LEU 259 CO 0.00 0.66 0.15 0.00 -0.34 0.00 0.00 178.44 178.92 3ij3 h ALA 260 N 1.03 0.57 -0.74 1.25 0.00 -0.88 -1.35 119.26 119.14 3ij3 h ALA 260 Ca 0.16 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3ij3 h ALA 260 Cb 0.21 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3ij3 h ALA 260 CO -0.01 -0.24 0.45 -0.09 0.00 0.00 0.00 179.25 179.36 3ij3 h ARG 261 N 0.32 0.84 -0.70 0.00 2.43 -0.48 -1.52 114.38 115.27 3ij3 h ARG 261 Ca 0.23 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3ij3 h ARG 261 Cb 0.25 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3ij3 h ARG 261 CO -0.25 0.55 0.16 0.52 -1.51 0.00 0.00 179.97 179.45 3ij3 h MET 262 N 0.86 1.12 -0.74 0.20 2.86 -0.70 0.11 114.93 118.65 3ij3 h MET 262 Ca 0.31 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3ij3 h MET 262 Cb 0.08 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 3ij3 h MET 262 CO -0.14 0.99 0.47 0.82 1.06 0.00 0.00 176.91 180.12 3ij3 h ILE 263 N 1.05 1.13 -0.11 -1.22 2.04 -0.88 -0.99 117.51 118.53 3ij3 h ILE 263 Ca 0.22 -0.32 -0.22 0.00 1.00 0.00 0.00 64.86 65.54 3ij3 h ILE 263 Cb 0.38 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3ij3 h ILE 263 CO 0.00 0.17 -0.79 0.24 0.00 0.00 0.00 178.15 177.77 3ij3 h MET 264 N 0.93 0.73 -0.90 2.37 2.86 -0.93 -1.30 114.93 118.69 3ij3 h MET 264 Ca 0.29 -0.64 0.01 0.00 -2.06 0.00 0.00 59.70 57.30 3ij3 h MET 264 Cb -0.02 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3ij3 h MET 264 CO -0.10 1.24 0.59 -0.07 1.06 0.00 0.00 176.91 179.63 3ij3 h LEU 265 N 0.43 1.04 -1.68 1.22 3.38 -0.59 -2.55 115.31 116.56 3ij3 h LEU 265 Ca -0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ij3 h LEU 265 Cb 1.43 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ij3 h LEU 265 CO 0.16 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.46 3ij3 n GLN 266 N -4.39 2.11 -4.01 1.13 1.13 -0.39 -4.98 117.38 107.99 3ij3 n GLN 266 Ca 0.10 -1.66 -0.26 0.00 -1.94 0.00 0.00 57.00 53.24 3ij3 n GLN 266 Cb 0.03 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 3ij3 n GLN 266 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3ij3 n GLN 267 N 0.91 -2.97 -1.94 -1.09 6.02 -0.57 -4.90 117.38 112.83 3ij3 n GLN 267 Ca 0.17 0.36 -0.40 0.00 -0.01 0.00 0.00 57.00 57.12 3ij3 n GLN 267 Cb 0.48 -4.41 -0.00 0.00 1.02 0.00 0.00 30.24 27.32 3ij3 n GLN 267 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ij3 s LEU 268 N -7.03 4.27 -1.44 1.08 1.43 -0.71 -4.87 118.68 111.41 3ij3 s LEU 268 Ca 0.02 2.83 -0.13 0.00 -1.03 0.00 0.00 54.13 55.82 3ij3 s LEU 268 Cb -0.01 -3.79 0.05 0.00 0.03 0.00 0.00 46.19 42.47 3ij3 s LEU 268 CO 0.90 -0.86 2.20 -0.81 0.23 0.00 0.00 176.35 178.02 3ij3 n PRO 269 N 0.30 2.94 -4.21 1.29 -0.04 -1.26 -4.86 135.00 129.15 3ij3 n PRO 269 Ca 0.02 -2.69 -0.12 0.00 -0.04 0.00 0.00 63.50 60.67 3ij3 n PRO 269 Cb 0.42 -3.25 -0.10 0.00 -0.04 0.00 0.00 33.50 30.53 3ij3 n PRO 269 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ij3 s VAL 270 N 2.90 0.64 -0.51 0.52 -7.23 -1.26 -4.40 120.40 111.06 3ij3 s VAL 270 Ca 0.46 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 3ij3 s VAL 270 Cb 0.14 -2.00 0.09 0.00 0.56 0.00 0.00 36.38 35.17 3ij3 s VAL 270 CO -0.08 -0.58 0.48 -0.60 -0.31 0.00 0.00 175.10 174.00 3ij3 s ARG 271 N -3.90 3.00 0.02 4.82 6.06 0.16 -4.06 118.95 125.04 3ij3 s ARG 271 Ca 0.21 -1.40 -0.19 0.00 -2.50 0.00 0.00 55.73 51.84 3ij3 s ARG 271 Cb 0.06 -4.19 -0.06 0.00 0.06 0.00 0.00 34.95 30.82 3ij3 s ARG 271 CO 0.01 -1.18 0.55 -1.17 -2.50 0.00 0.00 175.30 171.02 3ij3 s LEU 272 N 1.82 4.45 -0.01 -0.88 2.96 0.28 -1.40 118.68 125.90 3ij3 s LEU 272 Ca 0.06 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.13 3ij3 s LEU 272 Cb -0.25 -2.85 -0.00 0.00 0.50 0.00 0.00 46.19 43.59 3ij3 s LEU 272 CO 0.06 0.19 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.62 3ij3 s ARG 273 N -0.59 0.61 -0.13 1.98 3.52 -0.83 -1.27 118.95 122.24 3ij3 s ARG 273 Ca 0.29 -0.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.67 3ij3 s ARG 273 Cb -0.18 -0.60 0.02 0.00 -1.56 0.00 0.00 34.95 32.63 3ij3 s ARG 273 CO 0.17 0.11 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.46 3ij3 s LEU 274 N 0.03 1.64 -0.17 -0.88 2.96 0.37 -0.53 118.68 122.10 3ij3 s LEU 274 Ca -0.00 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3ij3 s LEU 274 Cb -0.05 -1.09 0.01 0.00 0.50 0.00 0.00 46.19 45.56 3ij3 s LEU 274 CO -0.00 -0.03 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.05 3ij3 s LEU 275 N 1.29 2.25 -0.23 -0.68 1.43 0.24 -0.66 118.68 122.32 3ij3 s LEU 275 Ca -0.00 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 3ij3 s LEU 275 Cb -0.14 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.64 3ij3 s LEU 275 CO -0.06 0.02 -0.00 -0.63 0.23 0.00 0.00 176.35 175.91 3ij3 s ILE 276 N 1.17 1.08 -0.03 -0.59 1.01 -0.09 -1.52 121.20 122.23 3ij3 s ILE 276 Ca 0.02 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 3ij3 s ILE 276 Cb -0.14 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3ij3 s ILE 276 CO -0.08 -0.21 1.31 -2.16 0.00 0.00 0.00 174.94 173.79 3ij3 s PRO 277 N 1.59 4.31 -0.23 2.79 0.04 -1.24 -0.80 135.00 141.46 3ij3 s PRO 277 Ca -0.02 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.87 3ij3 s PRO 277 Cb -0.18 -3.57 0.05 0.00 0.04 0.00 0.00 34.50 30.84 3ij3 s PRO 277 CO -0.09 -0.52 -0.13 0.00 0.04 0.00 0.00 177.00 176.31 3ij3 s ALA 278 N 2.33 2.40 0.24 8.56 0.00 0.30 -1.21 121.76 134.37 3ij3 s ALA 278 Ca 0.60 -1.54 -0.09 0.00 0.00 0.00 0.00 51.96 50.93 3ij3 s ALA 278 Cb -0.28 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 3ij3 s ALA 278 CO 0.24 -0.96 0.38 0.14 0.00 0.00 0.00 175.76 175.57 3ij3 s VAL 279 N 1.20 0.00 -0.08 0.00 -7.23 -0.59 -1.12 120.40 112.58 3ij3 s VAL 279 Ca -0.05 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 58.58 3ij3 s VAL 279 Cb -0.18 -2.30 0.01 0.00 0.56 0.00 0.00 36.38 34.46 3ij3 s VAL 279 CO -0.07 0.00 -0.18 -1.83 -0.31 0.00 0.00 175.10 172.71 3ij3 s GLU 280 N -4.02 2.28 -0.80 4.82 -1.05 -1.26 -0.19 118.70 118.49 3ij3 s GLU 280 Ca 0.27 -0.63 -0.20 0.00 -0.15 0.00 0.00 54.97 54.26 3ij3 s GLU 280 Cb 0.01 -1.81 0.11 0.00 -0.44 0.00 0.00 34.13 32.01 3ij3 s GLU 280 CO 0.10 0.12 1.00 1.21 0.95 0.00 0.00 175.26 178.64 3ij3 s ASN 281 N 0.45 6.44 0.32 0.83 2.47 -0.23 -4.29 114.94 120.93 3ij3 s ASN 281 Ca -0.15 -1.69 0.08 0.00 0.42 0.00 0.00 52.86 51.52 3ij3 s ASN 281 Cb -0.16 -2.38 -0.03 0.00 -1.45 0.00 0.00 41.25 37.22 3ij3 s ASN 281 CO 0.06 -1.16 0.23 0.00 -3.72 0.00 0.00 177.10 172.51 3ij3 s ALA 282 N 2.96 3.69 -0.22 1.71 0.00 -1.26 -1.81 121.76 126.82 3ij3 s ALA 282 Ca 0.26 -1.67 -0.02 0.00 0.00 0.00 0.00 51.96 50.52 3ij3 s ALA 282 Cb -0.11 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.97 3ij3 s ALA 282 CO -0.02 0.05 -0.07 -1.50 0.00 0.00 0.00 175.76 174.22 3ij3 s ILE 283 N -2.32 2.98 0.04 0.00 2.07 -1.26 -4.51 121.20 118.19 3ij3 s ILE 283 Ca 0.39 -0.76 -0.10 0.00 -1.41 0.00 0.00 60.65 58.77 3ij3 s ILE 283 Cb -0.05 -2.40 0.03 0.00 0.13 0.00 0.00 42.46 40.18 3ij3 s ILE 283 CO 0.25 0.36 0.48 0.61 -1.91 0.00 0.00 174.94 174.73 3ij3 n GLY 284 N 4.72 0.75 0.38 1.50 0.00 -1.26 -5.02 105.19 106.26 3ij3 n GLY 284 Ca -0.18 -0.97 0.17 0.00 0.00 0.00 0.00 46.02 45.04 3ij3 n GLY 284 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ij3 h SER 285 N 0.82 0.20 -0.39 1.61 4.64 -1.97 -1.96 113.55 116.50 3ij3 h SER 285 Ca -0.10 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3ij3 h SER 285 Cb 0.49 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3ij3 h SER 285 CO 0.14 0.11 0.00 0.54 -0.87 0.00 0.00 176.83 176.75 3ij3 n ARG 286 N -4.43 2.30 -1.66 4.77 1.74 -1.26 -5.01 116.66 113.11 3ij3 n ARG 286 Ca 0.11 -1.98 -0.46 0.00 -0.77 0.00 0.00 57.85 54.76 3ij3 n ARG 286 Cb 0.54 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 3ij3 n ARG 286 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3ij3 n SER 287 N 1.17 2.79 -4.75 0.55 7.64 -0.74 -4.37 113.62 115.90 3ij3 n SER 287 Ca 0.19 1.12 -0.36 0.00 1.01 0.00 0.00 58.87 60.83 3ij3 n SER 287 Cb 0.52 -1.41 0.04 0.00 -1.01 0.00 0.00 64.21 62.34 3ij3 n SER 287 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3ij3 s TYR 288 N 0.28 2.39 0.23 1.43 -0.00 -1.26 -5.01 117.35 115.41 3ij3 s TYR 288 Ca 0.72 1.52 0.10 0.00 -0.00 0.00 0.00 57.07 59.42 3ij3 s TYR 288 Cb -0.68 -3.46 -0.05 0.00 -0.00 0.00 0.00 41.96 37.78 3ij3 s TYR 288 CO 0.46 -2.18 -0.19 1.03 -0.00 0.00 0.00 175.55 174.66 3ij3 s ARG 289 N -3.39 1.52 0.24 -3.49 0.52 -1.26 -4.57 118.95 108.52 3ij3 s ARG 289 Ca 0.77 -1.64 -0.31 0.00 -0.52 0.00 0.00 55.73 54.02 3ij3 s ARG 289 Cb -0.30 -1.57 -0.12 0.00 0.52 0.00 0.00 34.95 33.48 3ij3 s ARG 289 CO 0.34 0.30 1.58 -2.30 0.02 0.00 0.00 175.30 175.23 3ij3 n PRO 290 N -0.30 2.47 0.00 3.54 -0.02 -1.26 -0.99 135.00 138.44 3ij3 n PRO 290 Ca -0.08 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3ij3 n PRO 290 Cb 0.59 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3ij3 n PRO 290 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ij3 n GLY 291 N 2.78 2.71 3.76 -1.23 0.00 0.14 -5.01 105.19 108.34 3ij3 n GLY 291 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3ij3 n GLY 291 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ij3 s ASP 292 N -1.43 5.65 -0.21 1.61 1.01 -0.16 -4.69 116.67 118.44 3ij3 s ASP 292 Ca 0.00 2.37 -0.04 0.00 0.71 0.00 0.00 52.55 55.58 3ij3 s ASP 292 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 3ij3 s ASP 292 CO 0.00 -1.28 -0.02 -0.69 0.21 0.00 0.00 175.17 173.39 3ij3 s VAL 293 N -1.57 3.64 -0.18 -1.27 1.01 -1.26 -0.71 120.40 120.06 3ij3 s VAL 293 Ca 0.71 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 3ij3 s VAL 293 Cb -0.30 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3ij3 s VAL 293 CO 0.34 0.42 0.08 -0.69 0.00 0.00 0.00 175.10 175.25 3ij3 s VAL 294 N 1.32 4.95 0.59 2.92 1.01 0.27 -4.91 120.40 126.55 3ij3 s VAL 294 Ca 0.04 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 3ij3 s VAL 294 Cb -0.14 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3ij3 s VAL 294 CO -0.01 0.47 1.02 -1.10 0.00 0.00 0.00 175.10 175.49 3ij3 s GLN 295 N 0.23 3.59 0.17 2.72 -1.52 -1.26 -1.34 119.66 122.25 3ij3 s GLN 295 Ca 0.05 0.88 0.05 0.00 -1.95 0.00 0.00 55.36 54.39 3ij3 s GLN 295 Cb -0.12 -2.08 -0.05 0.00 -0.22 0.00 0.00 33.01 30.54 3ij3 s GLN 295 CO -0.00 -0.57 -0.09 0.95 -0.25 0.00 0.00 175.29 175.33 3ij3 s THR 296 N -2.92 1.23 0.50 -0.19 -4.23 -1.07 -3.07 115.64 105.88 3ij3 s THR 296 Ca 0.57 -2.08 0.17 0.00 -1.18 0.00 0.00 61.69 59.17 3ij3 s THR 296 Cb -0.12 -1.99 0.24 0.00 1.34 0.00 0.00 72.50 71.98 3ij3 s THR 296 CO 0.45 -0.63 2.10 -0.09 -0.54 0.00 0.00 174.62 175.91 3ij3 h ARG 297 N 2.68 0.00 0.00 3.99 2.43 -1.90 -1.04 114.38 120.54 3ij3 h ARG 297 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3ij3 h ARG 297 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3ij3 h ARG 297 CO 0.64 0.07 0.00 0.00 -1.51 0.00 0.00 179.97 179.16 3ij3 n ALA 298 N -2.51 2.36 -1.07 2.80 0.00 -1.26 -4.90 120.51 115.93 3ij3 n ALA 298 Ca -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 3ij3 n ALA 298 Cb 0.15 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 3ij3 n ALA 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ij3 n ARG 299 N -1.24 -0.30 -3.65 0.00 5.12 -0.40 -5.04 116.66 111.16 3ij3 n ARG 299 Ca 0.14 0.45 -0.29 0.00 -1.93 0.00 0.00 57.85 56.23 3ij3 n ARG 299 Cb 0.19 -3.98 -0.04 0.00 -1.16 0.00 0.00 32.46 27.47 3ij3 n ARG 299 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3ij3 s LYS 300 N -1.66 3.56 -0.10 5.56 1.02 -1.26 -4.89 119.74 121.96 3ij3 s LYS 300 Ca 0.00 -0.24 -0.03 0.00 0.02 0.00 0.00 55.97 55.72 3ij3 s LYS 300 Cb 0.00 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 3ij3 s LYS 300 CO 0.00 0.40 0.03 0.95 -0.92 0.00 0.00 175.35 175.80 3ij3 s THR 301 N -1.84 4.51 -0.16 2.17 -4.23 -1.26 -2.61 115.64 112.21 3ij3 s THR 301 Ca 0.40 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.75 3ij3 s THR 301 Cb -0.11 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.81 3ij3 s THR 301 CO 0.28 0.59 -0.19 -0.63 -0.54 0.00 0.00 174.62 174.13 3ij3 s ILE 302 N -0.72 2.27 -0.18 2.99 1.01 -0.45 -2.01 121.20 124.11 3ij3 s ILE 302 Ca 0.12 -0.89 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 3ij3 s ILE 302 Cb -0.12 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 3ij3 s ILE 302 CO 0.02 0.53 0.71 -0.70 0.00 0.00 0.00 174.94 175.50 3ij3 s GLU 303 N 1.01 4.25 -0.42 2.79 2.12 0.08 -0.57 118.70 127.96 3ij3 s GLU 303 Ca -0.02 0.77 -0.28 0.00 0.36 0.00 0.00 54.97 55.81 3ij3 s GLU 303 Cb -0.15 -3.57 0.02 0.00 0.26 0.00 0.00 34.13 30.70 3ij3 s GLU 303 CO -0.05 -0.26 1.05 0.42 -0.54 0.00 0.00 175.26 175.88 3ij3 s ILE 304 N 1.95 4.39 -1.08 -3.70 -1.09 0.12 -2.04 121.20 119.75 3ij3 s ILE 304 Ca 0.33 1.23 0.15 0.00 -2.23 0.00 0.00 60.65 60.13 3ij3 s ILE 304 Cb -0.16 -4.49 -0.08 0.00 -1.58 0.00 0.00 42.46 36.15 3ij3 s ILE 304 CO 0.11 -0.78 0.74 0.35 -1.23 0.00 0.00 174.94 174.13 3ij3 n THR 305 N 6.41 0.00 -3.32 2.92 -2.24 -1.26 0.25 114.28 117.04 3ij3 n THR 305 Ca 0.10 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.62 3ij3 n THR 305 Cb 0.48 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.77 3ij3 n THR 305 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ij3 s ASN 306 N -2.14 -0.76 0.24 3.42 2.47 -1.26 -4.93 114.94 111.97 3ij3 s ASN 306 Ca 0.09 0.78 0.23 0.00 0.42 0.00 0.00 52.86 54.38 3ij3 s ASN 306 Cb 0.12 1.79 0.95 0.00 -1.45 0.00 0.00 41.25 42.67 3ij3 s ASN 306 CO 0.51 -0.26 1.69 0.35 -3.72 0.00 0.00 177.10 175.66 3ij3 n THR 307 N 5.41 0.85 1.41 -5.21 -2.24 -1.26 -2.09 114.28 111.15 3ij3 n THR 307 Ca -0.04 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 3ij3 n THR 307 Cb 0.50 -1.16 0.48 0.00 -2.10 0.00 0.00 70.33 68.05 3ij3 n THR 307 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ij3 n ASP 308 N -2.18 1.56 -3.00 3.42 2.03 -1.02 -3.75 116.55 113.61 3ij3 n ASP 308 Ca 0.02 -1.56 -0.37 0.00 0.52 0.00 0.00 54.79 53.39 3ij3 n ASP 308 Cb 0.22 -0.03 0.02 0.00 -0.72 0.00 0.00 41.12 40.61 3ij3 n ASP 308 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ij3 n ALA 309 N 0.23 6.09 0.07 -1.67 0.00 -0.89 -4.73 120.51 119.61 3ij3 n ALA 309 Ca 0.18 -4.29 -0.01 0.00 0.00 0.00 0.00 53.44 49.32 3ij3 n ALA 309 Cb 0.35 -1.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.01 3ij3 n ALA 309 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3ij3 h GLU 310 N 3.18 0.00 -0.42 0.00 9.09 -1.79 -3.37 114.58 121.27 3ij3 h GLU 310 Ca 0.49 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.91 3ij3 h GLU 310 Cb 0.26 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 3ij3 h GLU 310 CO 1.25 0.51 0.27 0.78 0.05 0.00 0.00 179.01 181.87 3ij3 h GLY 311 N 3.49 0.60 1.84 1.06 0.00 -1.92 -1.82 103.07 106.32 3ij3 h GLY 311 Ca -0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3ij3 h GLY 311 CO 0.07 0.20 -0.21 0.07 0.00 0.00 0.00 176.54 176.67 3ij3 h ARG 312 N 0.55 0.20 -0.26 4.80 0.11 -1.95 -1.06 114.38 116.77 3ij3 h ARG 312 Ca 0.16 -0.06 -0.04 0.00 0.10 0.00 0.00 59.98 60.15 3ij3 h ARG 312 Cb -0.04 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 3ij3 h ARG 312 CO -0.05 0.41 0.01 0.28 0.10 0.00 0.00 179.97 180.72 3ij3 h VAL 313 N 0.18 1.25 -0.18 0.08 2.07 -1.53 -1.14 116.25 116.98 3ij3 h VAL 313 Ca 0.03 -0.87 -0.17 0.00 0.82 0.00 0.00 66.70 66.52 3ij3 h VAL 313 Cb 0.48 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3ij3 h VAL 313 CO 0.03 0.27 -0.58 -0.37 0.02 0.00 0.00 177.57 176.94 3ij3 h VAL 314 N 0.23 1.32 -0.35 2.57 -1.51 -1.19 -2.91 116.25 114.41 3ij3 h VAL 314 Ca 0.07 -1.84 -0.04 0.00 -1.23 0.00 0.00 66.70 63.66 3ij3 h VAL 314 Cb 0.39 1.81 -0.02 0.00 -2.13 0.00 0.00 31.29 31.34 3ij3 h VAL 314 CO 0.01 0.57 0.04 -0.07 -1.23 0.00 0.00 177.57 176.89 3ij3 h LEU 315 N 0.43 0.49 -0.88 4.19 3.38 -1.15 -2.90 115.31 118.87 3ij3 h LEU 315 Ca 0.00 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.99 3ij3 h LEU 315 Cb 1.14 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 3ij3 h LEU 315 CO 0.11 0.53 0.52 0.00 0.09 0.00 0.00 178.44 179.69 3ij3 h ALA 316 N 1.54 1.27 -0.40 1.53 0.00 -0.99 0.19 119.26 122.40 3ij3 h ALA 316 Ca 0.12 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3ij3 h ALA 316 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ij3 h ALA 316 CO 0.00 0.13 -0.36 -0.44 0.00 0.00 0.00 179.25 178.59 3ij3 h ASP 317 N 0.85 0.99 -0.49 0.00 3.32 -1.58 -1.18 116.42 118.32 3ij3 h ASP 317 Ca 0.43 -0.44 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 3ij3 h ASP 317 Cb 0.40 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3ij3 h ASP 317 CO -0.25 1.23 0.02 0.00 -1.72 0.00 0.00 179.24 178.52 3ij3 h ALA 318 N 0.82 0.66 -0.64 3.45 0.00 -1.28 -2.16 119.26 120.10 3ij3 h ALA 318 Ca 0.07 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3ij3 h ALA 318 Cb 0.94 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3ij3 h ALA 318 CO 0.09 0.45 0.19 -0.07 0.00 0.00 0.00 179.25 179.91 3ij3 h LEU 319 N 0.71 0.93 -1.21 0.00 3.38 -0.62 -0.76 115.31 117.75 3ij3 h LEU 319 Ca 0.14 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3ij3 h LEU 319 Cb 0.49 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3ij3 h LEU 319 CO 0.02 0.90 0.54 0.00 0.09 0.00 0.00 178.44 179.99 3ij3 h ALA 320 N 1.07 1.47 -0.18 1.53 0.00 -1.08 -0.73 119.26 121.34 3ij3 h ALA 320 Ca 0.21 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3ij3 h ALA 320 Cb 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ij3 h ALA 320 CO -0.01 0.46 -0.16 1.49 0.00 0.00 0.00 179.25 181.03 3ij3 h GLU 321 N 1.05 0.42 -0.77 0.00 4.57 -1.06 -3.24 114.58 115.54 3ij3 h GLU 321 Ca 0.32 -0.22 0.04 0.00 -1.18 0.00 0.00 59.36 58.33 3ij3 h GLU 321 Cb -0.01 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 3ij3 h GLU 321 CO -0.09 0.78 0.48 0.00 -1.18 0.00 0.00 179.01 179.00 3ij3 h ALA 322 N 0.64 1.03 0.00 2.92 0.00 -0.55 -2.84 119.26 120.46 3ij3 h ALA 322 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ij3 h ALA 322 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ij3 h ALA 322 CO 0.04 0.24 -0.21 -0.39 0.00 0.00 0.00 179.25 178.93 3ij3 h VAL 323 N 0.91 0.74 -0.41 0.00 -1.51 -1.20 -3.11 116.25 111.67 3ij3 h VAL 323 Ca 0.32 -0.89 0.12 0.00 -1.23 0.00 0.00 66.70 65.03 3ij3 h VAL 323 Cb 0.09 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 3ij3 h VAL 323 CO -0.14 0.21 0.31 0.11 -1.23 0.00 0.00 177.57 176.83 3ij3 h LYS 324 N 0.00 0.00 -0.01 5.19 1.57 -1.53 -0.85 116.57 120.95 3ij3 h LYS 324 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ij3 h LYS 324 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3ij3 h LYS 324 CO 0.03 0.00 -0.03 0.39 -0.57 0.00 0.00 179.45 179.27 3ij3 n GLU 325 N -4.32 1.35 -3.76 3.15 1.02 -1.17 -4.96 120.64 111.95 3ij3 n GLU 325 Ca 0.07 -0.62 -0.30 0.00 -0.02 0.00 0.00 57.16 56.29 3ij3 n GLU 325 Cb 0.50 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.46 3ij3 n GLU 325 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ij3 n ASP 326 N -0.29 -3.74 -4.74 1.62 2.03 -0.32 -4.92 116.55 106.19 3ij3 n ASP 326 Ca 0.19 -1.01 -0.31 0.00 0.52 0.00 0.00 54.79 54.19 3ij3 n ASP 326 Cb 0.28 -3.29 0.11 0.00 -0.72 0.00 0.00 41.12 37.50 3ij3 n ASP 326 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3ij3 s PRO 327 N -6.17 1.88 0.35 -0.67 0.04 -1.26 -4.94 135.00 124.23 3ij3 s PRO 327 Ca 0.33 1.16 0.15 0.00 0.04 0.00 0.00 61.00 62.67 3ij3 s PRO 327 Cb -0.12 -1.85 0.65 0.00 0.04 0.00 0.00 34.50 33.21 3ij3 s PRO 327 CO 0.87 -1.91 1.75 0.22 0.04 0.00 0.00 177.00 177.97 3ij3 h ASP 328 N -1.32 0.00 -4.07 6.66 3.58 -1.21 -3.43 116.42 116.63 3ij3 h ASP 328 Ca -0.45 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 56.96 3ij3 h ASP 328 Cb 1.25 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.09 3ij3 h ASP 328 CO 0.51 0.43 0.12 -0.22 -2.88 0.00 0.00 179.24 177.20 3ij3 s LEU 329 N -7.57 -0.70 -0.07 2.28 2.96 -1.00 -4.28 118.68 110.30 3ij3 s LEU 329 Ca -0.01 1.37 0.04 0.00 -0.22 0.00 0.00 54.13 55.31 3ij3 s LEU 329 Cb 0.13 2.43 0.00 0.00 0.50 0.00 0.00 46.19 49.25 3ij3 s LEU 329 CO 0.71 -0.27 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.65 3ij3 s ILE 330 N 0.26 1.66 -0.09 6.68 1.01 -0.52 -1.10 121.20 129.11 3ij3 s ILE 330 Ca -0.01 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.85 3ij3 s ILE 330 Cb -0.05 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.99 3ij3 s ILE 330 CO 0.02 0.47 -0.10 -0.63 0.00 0.00 0.00 174.94 174.70 3ij3 s ILE 331 N 0.32 1.10 0.11 2.92 1.01 -0.15 -1.38 121.20 125.13 3ij3 s ILE 331 Ca -0.13 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.19 3ij3 s ILE 331 Cb -0.16 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 3ij3 s ILE 331 CO 0.06 0.36 -0.13 1.51 0.00 0.00 0.00 174.94 176.73 3ij3 s ASP 332 N 1.13 4.18 -0.09 3.58 1.47 -0.04 -0.70 116.67 126.20 3ij3 s ASP 332 Ca -0.06 -0.46 0.02 0.00 1.18 0.00 0.00 52.55 53.24 3ij3 s ASP 332 Cb -0.14 -0.72 0.01 0.00 -0.34 0.00 0.00 42.92 41.73 3ij3 s ASP 332 CO -0.02 0.18 -0.15 -0.36 0.68 0.00 0.00 175.17 175.50 3ij3 s PHE 333 N -1.18 1.83 0.00 2.11 0.08 -0.17 -0.60 117.98 120.06 3ij3 s PHE 333 Ca 0.20 -0.78 -0.00 0.00 0.12 0.00 0.00 56.93 56.46 3ij3 s PHE 333 Cb -0.11 -1.32 -0.00 0.00 -0.57 0.00 0.00 43.02 41.02 3ij3 s PHE 333 CO 0.12 -0.39 -0.00 0.45 -0.10 0.00 0.00 175.22 175.29 3ij3 s SER 334 N 0.80 0.05 0.14 1.36 0.15 0.35 -1.91 113.70 114.65 3ij3 s SER 334 Ca -0.11 -0.12 -0.18 0.00 0.70 0.00 0.00 55.95 56.25 3ij3 s SER 334 Cb -0.16 0.03 -0.07 0.00 -1.71 0.00 0.00 66.02 64.11 3ij3 s SER 334 CO 0.02 -0.07 0.62 0.42 1.20 0.00 0.00 173.24 175.42 3ij3 s THR 335 N -0.35 4.71 0.29 6.45 -4.23 -1.26 -0.64 115.64 120.62 3ij3 s THR 335 Ca -0.04 1.13 -0.28 0.00 -1.18 0.00 0.00 61.69 61.32 3ij3 s THR 335 Cb -0.02 -3.84 -0.09 0.00 1.34 0.00 0.00 72.50 69.88 3ij3 s THR 335 CO -0.00 0.35 0.97 -0.76 -0.54 0.00 0.00 174.62 174.64 3ij3 s LEU 336 N -1.64 4.46 -0.02 4.79 1.43 -0.32 -4.85 118.68 122.53 3ij3 s LEU 336 Ca 0.36 1.95 0.02 0.00 -1.03 0.00 0.00 54.13 55.43 3ij3 s LEU 336 Cb -0.17 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.21 3ij3 s LEU 336 CO 0.20 -0.03 -0.07 0.42 0.23 0.00 0.00 176.35 177.09 3ij3 s THR 337 N -1.40 0.65 0.00 5.49 -4.23 -1.26 -4.91 115.64 109.98 3ij3 s THR 337 Ca 0.47 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 3ij3 s THR 337 Cb -0.23 -0.59 0.00 0.00 1.34 0.00 0.00 72.50 73.02 3ij3 s THR 337 CO 0.29 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.19 3ij3 n GLY 338 N 3.27 1.49 0.32 3.99 0.00 -1.26 -4.66 105.19 108.35 3ij3 n GLY 338 Ca -0.18 -1.23 0.16 0.00 0.00 0.00 0.00 46.02 44.77 3ij3 n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij3 h ALA 339 N 0.00 1.58 0.00 4.61 0.00 -1.99 -1.00 119.26 122.47 3ij3 h ALA 339 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3ij3 h ALA 339 Cb 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ij3 h ALA 339 CO 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 179.25 178.69 3ij3 h ALA 340 N 1.74 1.11 0.00 0.00 0.00 -1.98 -3.02 119.26 117.11 3ij3 h ALA 340 Ca 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ij3 h ALA 340 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ij3 h ALA 340 CO -0.53 0.25 -0.01 0.00 0.00 0.00 0.00 179.25 178.97 3ij3 h ARG 341 N 0.00 0.00 -3.00 0.00 3.08 -1.44 -3.36 114.38 109.66 3ij3 h ARG 341 Ca -0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 3ij3 h ARG 341 Cb 0.62 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 3ij3 h ARG 341 CO 0.03 0.00 3.15 -0.89 -1.07 0.00 0.00 179.97 181.19 3ij3 n ILE 342 N -2.32 4.57 -0.16 2.04 5.41 -1.14 -4.51 119.36 123.25 3ij3 n ILE 342 Ca 0.05 -3.38 0.16 0.00 1.00 0.00 0.00 62.75 60.59 3ij3 n ILE 342 Cb 0.44 -2.41 0.52 0.00 -0.71 0.00 0.00 39.64 37.48 3ij3 n ILE 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ij3 h ALA 343 N 5.01 2.16 -0.64 -1.39 0.00 -1.84 -1.49 119.26 121.07 3ij3 h ALA 343 Ca 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.66 3ij3 h ALA 343 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ij3 h ALA 343 CO 1.68 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 181.84 3ij3 n LEU 344 N -4.47 3.96 -0.38 0.00 4.77 -1.26 -5.08 117.00 114.54 3ij3 n LEU 344 Ca 0.14 -2.12 0.05 0.00 -0.03 0.00 0.00 56.01 54.05 3ij3 n LEU 344 Cb 0.55 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3ij3 n LEU 344 CO 0.33 0.90 -0.08 0.61 -1.33 0.00 0.00 177.39 177.82 3ij3 n GLY 345 N 1.29 -1.53 0.25 -0.72 0.00 -0.56 -3.93 105.19 99.98 3ij3 n GLY 345 Ca 0.23 -1.43 0.15 0.00 0.00 0.00 0.00 46.02 44.96 3ij3 n GLY 345 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ij3 h PRO 346 N -0.35 0.00 -0.44 1.61 0.13 -1.97 -3.31 132.00 127.67 3ij3 h PRO 346 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3ij3 h PRO 346 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 3ij3 h PRO 346 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 3ij3 n ASN 347 N -3.05 3.68 -3.69 1.44 3.02 -1.26 -4.47 115.26 110.92 3ij3 n ASN 347 Ca 0.02 -2.33 -0.30 0.00 -0.03 0.00 0.00 54.58 51.95 3ij3 n ASN 347 Cb 0.40 -0.41 -0.14 0.00 -0.61 0.00 0.00 39.78 39.02 3ij3 n ASN 347 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ij3 s LEU 348 N -1.60 2.15 0.36 3.41 2.96 -1.25 -4.89 118.68 119.82 3ij3 s LEU 348 Ca 0.37 -1.96 -0.28 0.00 -0.22 0.00 0.00 54.13 52.03 3ij3 s LEU 348 Cb 0.23 -0.84 -0.11 0.00 0.50 0.00 0.00 46.19 45.97 3ij3 s LEU 348 CO 0.18 -0.36 1.46 -2.65 -1.32 0.00 0.00 176.35 173.66 3ij3 n PRO 349 N 4.42 2.56 -3.24 0.98 -0.02 -1.26 -4.72 135.00 133.72 3ij3 n PRO 349 Ca 0.02 0.90 -0.39 0.00 -2.02 0.00 0.00 63.50 62.02 3ij3 n PRO 349 Cb 0.39 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.21 3ij3 n PRO 349 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ij3 s ALA 350 N -0.94 3.48 -0.14 3.55 0.00 -0.76 -1.59 121.76 125.37 3ij3 s ALA 350 Ca 0.55 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 3ij3 s ALA 350 Cb -0.50 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3ij3 s ALA 350 CO 0.61 0.13 -0.11 -1.17 0.00 0.00 0.00 175.76 175.22 3ij3 s LEU 351 N 0.02 2.81 0.01 0.00 2.96 -0.16 -0.89 118.68 123.43 3ij3 s LEU 351 Ca 0.30 -0.30 0.09 0.00 -0.22 0.00 0.00 54.13 54.00 3ij3 s LEU 351 Cb -0.17 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3ij3 s LEU 351 CO 0.15 0.16 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.72 3ij3 s PHE 352 N 0.39 2.33 -0.13 5.38 0.08 0.23 -0.51 117.98 125.75 3ij3 s PHE 352 Ca -0.09 -0.43 -0.12 0.00 0.12 0.00 0.00 56.93 56.41 3ij3 s PHE 352 Cb -0.16 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.88 3ij3 s PHE 352 CO 0.05 0.04 0.34 0.00 -0.10 0.00 0.00 175.22 175.55 3ij3 s ALA 353 N -0.71 -0.85 -1.35 5.36 0.00 -1.26 -0.26 121.76 122.69 3ij3 s ALA 353 Ca 0.11 0.97 0.29 0.00 0.00 0.00 0.00 51.96 53.33 3ij3 s ALA 353 Cb -0.10 -0.57 1.31 0.00 0.00 0.00 0.00 23.12 23.76 3ij3 s ALA 353 CO 0.01 -0.16 1.93 0.27 0.00 0.00 0.00 175.76 177.80 3ij3 n ASN 354 N 2.92 0.16 -3.97 0.00 6.94 -0.85 -4.73 115.26 115.73 3ij3 n ASN 354 Ca -0.13 -0.11 -0.23 0.00 -0.02 0.00 0.00 54.58 54.08 3ij3 n ASN 354 Cb 0.58 -0.24 -0.17 0.00 -2.36 0.00 0.00 39.78 37.59 3ij3 n ASN 354 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3ij3 s GLN 355 N -2.68 1.37 0.28 -3.83 -0.21 -1.26 -4.98 119.66 108.35 3ij3 s GLN 355 Ca 0.24 -0.29 -0.02 0.00 0.02 0.00 0.00 55.36 55.31 3ij3 s GLN 355 Cb 0.20 -1.21 0.39 0.00 1.00 0.00 0.00 33.01 33.39 3ij3 s GLN 355 CO 0.50 -0.03 1.88 -0.44 -2.12 0.00 0.00 175.29 175.08 3ij3 h ASP 356 N 7.12 0.89 -0.76 5.90 3.32 -2.00 -2.54 116.42 128.34 3ij3 h ASP 356 Ca -0.33 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 3ij3 h ASP 356 Cb 1.17 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 3ij3 h ASP 356 CO 0.47 0.75 0.42 0.28 -1.72 0.00 0.00 179.24 179.44 3ij3 h SER 357 N 0.97 0.94 -0.08 6.45 0.02 -1.99 -0.22 113.55 119.66 3ij3 h SER 357 Ca 0.24 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3ij3 h SER 357 Cb 0.11 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3ij3 h SER 357 CO -0.03 0.76 0.04 0.25 -1.14 0.00 0.00 176.83 176.71 3ij3 h LEU 358 N 1.05 0.10 -0.30 5.07 5.85 -1.94 -1.14 115.31 124.00 3ij3 h LEU 358 Ca 0.27 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3ij3 h LEU 358 Cb 0.02 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3ij3 h LEU 358 CO -0.04 0.20 0.14 0.00 -0.34 0.00 0.00 178.44 178.40 3ij3 h ALA 359 N 0.90 0.36 -0.71 1.25 0.00 -1.12 -1.48 119.26 118.47 3ij3 h ALA 359 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ij3 h ALA 359 Cb 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3ij3 h ALA 359 CO -0.00 -0.25 0.38 1.96 0.00 0.00 0.00 179.25 181.33 3ij3 h GLN 360 N 0.29 0.98 -0.32 0.00 4.20 -0.95 -0.43 115.11 118.88 3ij3 h GLN 360 Ca 0.13 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 3ij3 h GLN 360 Cb 0.06 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3ij3 h GLN 360 CO -0.10 0.73 -0.35 0.00 -0.67 0.00 0.00 178.83 178.44 3ij3 h ALA 361 N 1.43 0.78 -0.25 3.87 0.00 -0.91 -1.09 119.26 123.10 3ij3 h ALA 361 Ca 0.25 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 3ij3 h ALA 361 Cb 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ij3 h ALA 361 CO -0.04 0.65 -0.51 -0.07 0.00 0.00 0.00 179.25 179.28 3ij3 h LEU 362 N 0.60 0.76 -0.30 0.00 3.38 -0.88 -0.83 115.31 118.05 3ij3 h LEU 362 Ca 0.06 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3ij3 h LEU 362 Cb 0.88 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3ij3 h LEU 362 CO 0.08 1.14 0.16 0.40 0.09 0.00 0.00 178.44 180.30 3ij3 h ILE 363 N 0.54 1.14 -0.58 1.22 2.04 -0.93 -0.22 117.51 120.72 3ij3 h ILE 363 Ca 0.02 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.55 3ij3 h ILE 363 Cb 1.07 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 3ij3 h ILE 363 CO 0.10 0.14 0.31 0.44 0.00 0.00 0.00 178.15 179.15 3ij3 h ASP 364 N 0.36 0.47 -0.66 1.72 3.32 -1.03 -2.11 116.42 118.49 3ij3 h ASP 364 Ca 0.11 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3ij3 h ASP 364 Cb 0.08 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3ij3 h ASP 364 CO -0.02 0.32 0.36 0.00 -1.72 0.00 0.00 179.24 178.18 3ij3 h ALA 365 N 1.30 1.35 -0.71 3.45 0.00 -0.90 -1.45 119.26 122.30 3ij3 h ALA 365 Ca 0.25 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ij3 h ALA 365 Cb 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3ij3 h ALA 365 CO -0.16 0.52 0.46 1.03 0.00 0.00 0.00 179.25 181.11 3ij3 h SER 366 N 0.95 0.78 -0.27 0.00 0.87 -0.38 -1.63 113.55 113.87 3ij3 h SER 366 Ca 0.24 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.69 3ij3 h SER 366 Cb 0.04 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3ij3 h SER 366 CO -0.04 0.56 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.55 3ij3 h LEU 367 N 0.93 0.64 -1.10 2.23 3.38 -1.04 -0.74 115.31 119.62 3ij3 h LEU 367 Ca 0.27 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3ij3 h LEU 367 Cb -0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3ij3 h LEU 367 CO -0.08 0.95 0.23 0.11 0.09 0.00 0.00 178.44 179.75 3ij3 h LYS 368 N 0.34 0.87 -0.01 1.13 1.57 -1.09 -2.98 116.57 116.40 3ij3 h LYS 368 Ca 0.05 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3ij3 h LYS 368 Cb 0.74 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3ij3 h LYS 368 CO 0.05 0.72 -0.49 0.25 -0.57 0.00 0.00 179.45 179.40 3ij3 n THR 369 N -4.32 0.00 -3.91 -0.16 -2.24 -0.63 -4.97 114.28 98.05 3ij3 n THR 369 Ca 0.05 -0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.43 3ij3 n THR 369 Cb 0.17 0.73 0.01 0.00 -2.10 0.00 0.00 70.33 69.14 3ij3 n THR 369 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ij3 n ASP 370 N -0.77 -2.76 -3.99 3.42 2.03 -0.33 -4.94 116.55 109.21 3ij3 n ASP 370 Ca 0.09 -0.87 -0.31 0.00 0.52 0.00 0.00 54.79 54.22 3ij3 n ASP 370 Cb 0.38 -3.61 -0.15 0.00 -0.72 0.00 0.00 41.12 37.02 3ij3 n ASP 370 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ij3 s ASP 371 N -3.79 4.58 0.45 1.67 2.15 -0.91 -5.06 116.67 115.76 3ij3 s ASP 371 Ca 0.37 -2.51 -0.24 0.00 0.43 0.00 0.00 52.55 50.61 3ij3 s ASP 371 Cb -0.19 -1.63 -0.08 0.00 -0.30 0.00 0.00 42.92 40.72 3ij3 s ASP 371 CO 0.85 -0.32 1.26 -2.16 -0.17 0.00 0.00 175.17 174.64 3ij3 s PRO 372 N 0.42 3.76 0.14 4.34 0.04 -1.26 -4.57 135.00 137.86 3ij3 s PRO 372 Ca 0.13 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.03 3ij3 s PRO 372 Cb -0.22 -2.56 0.05 0.00 0.04 0.00 0.00 34.50 31.81 3ij3 s PRO 372 CO -0.05 -0.63 0.46 -0.48 0.04 0.00 0.00 177.00 176.34 3ij3 s LEU 373 N -2.81 0.11 -0.08 -3.56 0.05 -1.26 -4.09 118.68 107.04 3ij3 s LEU 373 Ca 0.62 -0.22 -0.06 0.00 0.05 0.00 0.00 54.13 54.52 3ij3 s LEU 373 Cb -0.35 2.07 0.03 0.00 -2.05 0.00 0.00 46.19 45.89 3ij3 s LEU 373 CO 0.44 -0.89 0.20 0.86 -0.55 0.00 0.00 176.35 176.41 3ij3 s TRP 374 N -3.79 -0.24 0.11 3.48 -0.11 -0.62 -4.96 118.94 112.81 3ij3 s TRP 374 Ca 0.02 0.60 -0.29 0.00 1.22 0.00 0.00 56.10 57.66 3ij3 s TRP 374 Cb 0.01 0.04 -0.06 0.00 -1.50 0.00 0.00 33.47 31.96 3ij3 s TRP 374 CO -0.12 -0.15 0.90 0.50 -4.62 0.00 0.00 176.95 173.46 3ij3 s ARG 375 N 0.61 4.66 0.23 5.86 3.52 -1.26 -0.99 118.95 131.57 3ij3 s ARG 375 Ca -0.04 1.35 0.10 0.00 -0.13 0.00 0.00 55.73 57.01 3ij3 s ARG 375 Cb -0.06 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 3ij3 s ARG 375 CO -0.03 0.28 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.11 3ij3 s LEU 376 N -0.20 2.87 0.16 -0.88 1.43 0.33 -4.89 118.68 117.50 3ij3 s LEU 376 Ca 0.44 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3ij3 s LEU 376 Cb -0.23 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.45 3ij3 s LEU 376 CO 0.28 0.06 0.49 -2.16 0.23 0.00 0.00 176.35 175.26 3ij3 s PRO 377 N -3.20 3.82 -1.25 1.29 0.04 -1.26 -4.46 135.00 129.99 3ij3 s PRO 377 Ca 0.27 0.27 -0.11 0.00 0.04 0.00 0.00 61.00 61.47 3ij3 s PRO 377 Cb -0.07 -2.85 0.17 0.00 0.04 0.00 0.00 34.50 31.79 3ij3 s PRO 377 CO 0.16 0.45 1.66 1.28 0.04 0.00 0.00 177.00 180.58 3ij3 n LEU 378 N 0.44 5.94 -4.56 -3.56 4.77 -1.26 -4.81 117.00 113.95 3ij3 n LEU 378 Ca -0.04 -4.56 -0.41 0.00 -0.03 0.00 0.00 56.01 50.98 3ij3 n LEU 378 Cb 0.52 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.04 3ij3 n LEU 378 CO 0.44 1.06 1.31 0.12 -1.33 0.00 0.00 177.39 178.99 3ij3 s PHE 379 N 0.95 2.14 0.38 -1.77 5.36 -1.26 -4.91 117.98 118.87 3ij3 s PHE 379 Ca 0.41 0.40 0.08 0.00 -0.96 0.00 0.00 56.93 56.85 3ij3 s PHE 379 Cb 0.03 -4.39 0.81 0.00 -0.34 0.00 0.00 43.02 39.14 3ij3 s PHE 379 CO 0.00 -2.09 1.97 1.96 -1.46 0.00 0.00 175.22 175.61 3ij3 h GLN 380 N 11.64 0.65 -0.07 10.12 1.08 -2.02 -1.94 115.11 134.57 3ij3 h GLN 380 Ca -0.27 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 56.91 3ij3 h GLN 380 Cb 1.10 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.38 3ij3 h GLN 380 CO 1.21 0.43 0.08 -1.35 -0.95 0.00 0.00 178.83 178.25 3ij3 h PRO 381 N 0.67 0.00 0.00 1.46 0.11 -2.03 -1.43 132.00 130.77 3ij3 h PRO 381 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3ij3 h PRO 381 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3ij3 h PRO 381 CO -0.09 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.36 3ij3 n TYR 382 N -3.83 0.00 0.17 0.65 4.01 -0.73 -2.77 117.16 114.66 3ij3 n TYR 382 Ca -0.01 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.87 3ij3 n TYR 382 Cb 0.17 -0.28 0.72 0.00 -0.31 0.00 0.00 39.34 39.64 3ij3 n TYR 382 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ij3 h ARG 383 N 0.00 0.00 -0.03 -0.72 3.08 -1.43 -0.87 114.38 114.41 3ij3 h ARG 383 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3ij3 h ARG 383 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3ij3 h ARG 383 CO 0.00 0.00 0.03 -0.91 -1.07 0.00 0.00 179.97 178.02 3ij3 h ASN 384 N 0.00 0.00 -0.01 7.04 2.35 -1.74 -1.37 115.58 121.84 3ij3 h ASN 384 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3ij3 h ASN 384 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3ij3 h ASN 384 CO -0.00 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.56 3ij3 n TYR 385 N -3.86 0.01 -0.41 1.19 4.01 -0.33 -2.37 117.16 115.41 3ij3 n TYR 385 Ca -0.02 -0.01 0.07 0.00 -0.16 0.00 0.00 57.90 57.78 3ij3 n TYR 385 Cb 0.12 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.37 3ij3 n TYR 385 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3ij3 n LEU 386 N -0.72 3.48 -4.75 7.72 4.77 -0.52 -3.63 117.00 123.35 3ij3 n LEU 386 Ca 0.19 -2.25 -0.41 0.00 -0.03 0.00 0.00 56.01 53.51 3ij3 n LEU 386 Cb 0.13 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3ij3 n LEU 386 CO 0.15 0.76 1.01 -0.75 -1.33 0.00 0.00 177.39 177.23 3ij3 s LYS 387 N -1.45 4.36 0.01 3.23 2.20 -1.00 -0.84 119.74 126.25 3ij3 s LYS 387 Ca 0.34 2.16 0.08 0.00 -0.36 0.00 0.00 55.97 58.18 3ij3 s LYS 387 Cb 0.21 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.37 3ij3 s LYS 387 CO 0.18 -0.26 -0.25 0.45 -0.36 0.00 0.00 175.35 175.11 3ij3 s SER 388 N 0.06 2.92 0.18 1.43 0.15 -1.26 -4.56 113.70 112.61 3ij3 s SER 388 Ca 0.55 -0.50 0.26 0.00 0.70 0.00 0.00 55.95 56.95 3ij3 s SER 388 Cb -0.39 -0.29 0.71 0.00 -1.71 0.00 0.00 66.02 64.34 3ij3 s SER 388 CO 0.44 0.27 1.67 -0.62 1.20 0.00 0.00 173.24 176.20 3ij3 n GLU 389 N 2.17 0.26 -0.06 5.44 -0.58 -1.26 -4.47 120.64 122.14 3ij3 n GLU 389 Ca -0.16 0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 56.62 3ij3 n GLU 389 Cb 0.52 -1.77 -0.05 0.00 -0.57 0.00 0.00 31.44 29.57 3ij3 n GLU 389 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3ij3 n VAL 390 N -2.20 0.71 -3.73 2.62 0.31 -1.26 -5.08 118.33 109.70 3ij3 n VAL 390 Ca 0.05 -0.20 -0.20 0.00 -0.01 0.00 0.00 64.34 63.98 3ij3 n VAL 390 Cb 0.43 -1.54 0.01 0.00 -0.91 0.00 0.00 33.84 31.83 3ij3 n VAL 390 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ij3 n ALA 391 N -3.45 0.71 -0.08 3.52 0.00 -1.26 -5.03 120.51 114.92 3ij3 n ALA 391 Ca -0.25 -1.75 -0.01 0.00 0.00 0.00 0.00 53.44 51.43 3ij3 n ALA 391 Cb 0.69 0.70 0.25 0.00 0.00 0.00 0.00 19.45 21.09 3ij3 n ALA 391 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ij3 h ASP 392 N 0.48 0.66 -5.02 0.00 3.32 -1.74 -3.40 116.42 110.71 3ij3 h ASP 392 Ca -0.27 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 56.76 3ij3 h ASP 392 Cb 1.01 -0.17 -0.10 0.00 0.22 0.00 0.00 39.33 40.30 3ij3 h ASP 392 CO 0.42 0.65 0.35 -1.48 -1.72 0.00 0.00 179.24 177.46 3ij3 s LEU 393 N -9.30 -0.33 0.43 1.55 2.34 -1.10 -4.59 118.68 107.68 3ij3 s LEU 393 Ca -0.09 -0.29 0.04 0.00 0.06 0.00 0.00 54.13 53.85 3ij3 s LEU 393 Cb 0.16 2.40 0.01 0.00 -0.56 0.00 0.00 46.19 48.20 3ij3 s LEU 393 CO 0.78 -0.99 0.61 0.42 -1.06 0.00 0.00 176.35 176.11 3ij3 s THR 394 N -3.55 3.47 -1.28 5.48 -4.23 -0.02 -0.74 115.64 114.77 3ij3 s THR 394 Ca 0.08 -0.80 0.24 0.00 -1.18 0.00 0.00 61.69 60.03 3ij3 s THR 394 Cb -0.03 -3.23 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 3ij3 s THR 394 CO -0.02 -0.12 1.26 -0.46 -0.54 0.00 0.00 174.62 174.73 3ij3 n ASN 395 N -1.96 0.95 -3.95 3.99 6.94 -0.86 -4.82 115.26 115.54 3ij3 n ASN 395 Ca 0.04 -0.76 -0.08 0.00 -0.02 0.00 0.00 54.58 53.76 3ij3 n ASN 395 Cb 0.59 0.47 -0.08 0.00 -2.36 0.00 0.00 39.78 38.39 3ij3 n ASN 395 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3ij3 s SER 396 N -2.83 0.27 0.65 0.53 1.04 -1.26 -4.94 113.70 107.16 3ij3 s SER 396 Ca 0.14 -0.78 -0.07 0.00 0.48 0.00 0.00 55.95 55.71 3ij3 s SER 396 Cb 0.17 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.60 3ij3 s SER 396 CO 0.70 -0.67 0.97 -0.94 0.98 0.00 0.00 173.24 174.28 3ij3 s SER 397 N -2.85 5.28 0.47 7.02 1.04 -1.26 -4.76 113.70 118.64 3ij3 s SER 397 Ca 0.05 0.68 0.30 0.00 0.48 0.00 0.00 55.95 57.47 3ij3 s SER 397 Cb 0.06 -1.52 1.10 0.00 0.10 0.00 0.00 66.02 65.76 3ij3 s SER 397 CO -0.10 -1.31 1.87 1.56 0.98 0.00 0.00 173.24 176.24 3ij3 h GLN 398 N -0.41 0.00 -5.11 4.02 4.20 -1.97 -3.46 115.11 112.38 3ij3 h GLN 398 Ca -0.45 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.66 3ij3 h GLN 398 Cb 1.28 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.93 3ij3 h GLN 398 CO 0.61 0.00 -0.52 0.54 -0.67 0.00 0.00 178.83 178.79 3ij3 s ASN 399 N -5.50 3.25 -0.22 1.46 2.20 -1.26 -5.05 114.94 109.83 3ij3 s ASN 399 Ca 0.03 -1.66 0.15 0.00 -0.94 0.00 0.00 52.86 50.44 3ij3 s ASN 399 Cb 0.08 0.48 0.82 0.00 -2.00 0.00 0.00 41.25 40.63 3ij3 s ASN 399 CO 0.54 -0.89 1.74 0.54 -2.94 0.00 0.00 177.10 176.10 3ij3 n ARG 400 N -1.02 4.77 -4.20 3.55 1.74 -1.26 -4.95 116.66 115.29 3ij3 n ARG 400 Ca -0.10 -3.14 -0.26 0.00 -0.77 0.00 0.00 57.85 53.58 3ij3 n ARG 400 Cb 0.66 -2.22 -0.07 0.00 -1.02 0.00 0.00 32.46 29.80 3ij3 n ARG 400 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3ij3 s MET 401 N -2.63 2.46 -1.47 5.56 -1.94 -1.26 -4.70 119.30 115.32 3ij3 s MET 401 Ca 0.55 -1.10 -0.05 0.00 -1.71 0.00 0.00 55.69 53.37 3ij3 s MET 401 Cb 0.41 -2.38 0.01 0.00 2.01 0.00 0.00 34.83 34.87 3ij3 s MET 401 CO 0.17 0.45 0.66 0.00 -0.01 0.00 0.00 175.02 176.30 3ij3 n ALA 402 N -0.22 -0.98 -0.09 3.03 0.00 -1.26 -4.92 120.51 116.08 3ij3 n ALA 402 Ca -0.09 0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.58 3ij3 n ALA 402 Cb 0.55 -3.99 -0.00 0.00 0.00 0.00 0.00 19.45 16.01 3ij3 n ALA 402 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ij3 h GLY 403 N -1.52 0.25 0.94 0.00 0.00 -1.90 0.10 103.07 100.93 3ij3 h GLY 403 Ca -0.52 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3ij3 h GLY 403 CO 0.55 -0.11 0.11 0.00 0.00 0.00 0.00 176.54 177.09 3ij3 h ALA 404 N 1.30 0.52 -0.61 3.60 0.00 -1.91 -2.48 119.26 119.68 3ij3 h ALA 404 Ca 0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3ij3 h ALA 404 Cb 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3ij3 h ALA 404 CO -0.31 0.19 0.19 0.82 0.00 0.00 0.00 179.25 180.14 3ij3 h ILE 405 N 0.50 1.24 -0.43 0.00 2.04 -1.81 -2.46 117.51 116.60 3ij3 h ILE 405 Ca 0.13 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.21 3ij3 h ILE 405 Cb 0.29 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3ij3 h ILE 405 CO -0.00 0.32 0.14 0.74 0.00 0.00 0.00 178.15 179.35 3ij3 h THR 406 N 0.87 0.86 -0.53 -0.27 2.02 -0.73 0.20 112.91 115.33 3ij3 h THR 406 Ca 0.20 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3ij3 h THR 406 Cb 0.29 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3ij3 h THR 406 CO -0.01 0.06 0.29 0.00 0.37 0.00 0.00 175.52 176.23 3ij3 h ALA 407 N 1.29 0.68 -0.64 6.16 0.00 -1.14 -1.02 119.26 124.59 3ij3 h ALA 407 Ca 0.20 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3ij3 h ALA 407 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ij3 h ALA 407 CO -0.21 0.21 0.15 0.00 0.00 0.00 0.00 179.25 179.39 3ij3 h ALA 408 N 1.12 0.84 -0.26 0.00 0.00 -1.13 -2.07 119.26 117.77 3ij3 h ALA 408 Ca 0.19 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3ij3 h ALA 408 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ij3 h ALA 408 CO -0.03 0.57 -0.20 -0.07 0.00 0.00 0.00 179.25 179.52 3ij3 h LEU 409 N 0.95 0.47 0.31 0.00 3.38 -0.68 -1.57 115.31 118.18 3ij3 h LEU 409 Ca 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3ij3 h LEU 409 Cb 0.37 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ij3 h LEU 409 CO 0.00 0.69 -0.17 0.15 0.09 0.00 0.00 178.44 179.20 3ij3 h PHE 410 N 0.43 -0.44 -0.45 1.13 3.57 -0.86 -2.91 116.94 117.40 3ij3 h PHE 410 Ca 0.07 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3ij3 h PHE 410 Cb 0.60 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 3ij3 h PHE 410 CO 0.02 -0.27 0.30 -0.07 -2.23 0.00 0.00 178.31 176.06 3ij3 h LEU 411 N -0.45 0.46 -2.31 0.59 3.38 -1.12 -1.76 115.31 114.11 3ij3 h LEU 411 Ca -0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ij3 h LEU 411 Cb 0.36 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3ij3 h LEU 411 CO 0.05 0.32 -0.01 -0.61 0.09 0.00 0.00 178.44 178.28 3ij3 h GLN 412 N 0.53 0.00 0.00 1.13 4.15 -1.08 -0.30 115.11 119.54 3ij3 h GLN 412 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3ij3 h GLN 412 Cb 0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3ij3 h GLN 412 CO -0.04 0.01 0.00 0.45 -1.93 0.00 0.00 178.83 177.32 3ij3 h HIS 413 N 0.00 0.00 -0.02 3.99 3.86 -1.29 -2.55 115.15 119.14 3ij3 h HIS 413 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ij3 h HIS 413 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3ij3 h HIS 413 CO 0.00 0.00 -0.01 1.19 0.86 0.00 0.00 177.93 179.97 3ij3 n PHE 414 N -2.78 0.00 -3.87 2.45 3.72 -0.12 -4.91 117.46 111.95 3ij3 n PHE 414 Ca -0.02 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.12 3ij3 n PHE 414 Cb 0.10 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.47 3ij3 n PHE 414 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ij3 s VAL 415 N -1.65 0.91 0.37 -4.37 1.01 -0.96 -4.37 120.40 111.33 3ij3 s VAL 415 Ca 0.23 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 3ij3 s VAL 415 Cb 0.16 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.42 3ij3 s VAL 415 CO 0.25 0.28 1.21 -0.24 0.00 0.00 0.00 175.10 176.59 3ij3 n SER 416 N 4.97 2.30 0.24 3.32 2.88 -1.26 -4.87 113.62 121.20 3ij3 n SER 416 Ca -0.11 1.15 0.17 0.00 -1.33 0.00 0.00 58.87 58.75 3ij3 n SER 416 Cb 0.49 -1.44 0.84 0.00 -0.75 0.00 0.00 64.21 63.35 3ij3 n SER 416 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3ij3 h ASP 417 N 2.21 0.00 0.79 -3.46 3.32 -1.94 -2.38 116.42 114.96 3ij3 h ASP 417 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3ij3 h ASP 417 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3ij3 h ASP 417 CO 0.61 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 178.09 3ij3 n GLN 418 N -2.68 0.18 -3.78 3.56 1.13 -1.26 -4.68 117.38 109.85 3ij3 n GLN 418 Ca -0.01 -0.02 -0.36 0.00 -1.94 0.00 0.00 57.00 54.67 3ij3 n GLN 418 Cb 0.10 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.83 3ij3 n GLN 418 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ij3 s ILE 419 N -2.83 4.02 0.10 5.09 1.01 -0.90 -5.07 121.20 122.62 3ij3 s ILE 419 Ca 0.19 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 60.13 3ij3 s ILE 419 Cb 0.19 -2.93 -0.10 0.00 0.01 0.00 0.00 42.46 39.63 3ij3 s ILE 419 CO 0.52 0.27 1.84 -2.84 0.00 0.00 0.00 174.94 174.73 3ij3 s PRO 420 N 1.55 4.14 -0.02 2.79 0.02 -1.26 -4.84 135.00 137.38 3ij3 s PRO 420 Ca 0.05 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3ij3 s PRO 420 Cb -0.16 -3.73 0.03 0.00 0.02 0.00 0.00 34.50 30.66 3ij3 s PRO 420 CO 0.02 -0.86 0.02 -0.46 -0.33 0.00 0.00 177.00 175.39 3ij3 s TRP 421 N 3.15 0.13 -0.05 6.54 -0.00 -1.26 -1.43 118.94 126.02 3ij3 s TRP 421 Ca 0.82 0.08 0.06 0.00 -0.00 0.00 0.00 56.10 57.05 3ij3 s TRP 421 Cb -0.44 -0.28 -0.01 0.00 -0.00 0.00 0.00 33.47 32.74 3ij3 s TRP 421 CO 0.37 -0.09 -0.22 0.00 -0.00 0.00 0.00 176.95 177.00 3ij3 s ALA 422 N 0.96 1.92 -0.11 5.86 0.00 -0.48 -2.00 121.76 127.91 3ij3 s ALA 422 Ca -0.09 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 50.98 3ij3 s ALA 422 Cb -0.12 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3ij3 s ALA 422 CO -0.02 0.38 -0.19 -1.58 0.00 0.00 0.00 175.76 174.34 3ij3 s HIS 423 N -0.14 2.32 -0.16 0.00 2.46 0.64 -0.86 115.29 119.55 3ij3 s HIS 423 Ca -0.02 -1.07 -0.03 0.00 0.47 0.00 0.00 55.06 54.41 3ij3 s HIS 423 Cb -0.12 -1.60 -0.02 0.00 -0.13 0.00 0.00 32.58 30.70 3ij3 s HIS 423 CO 0.03 -0.49 -0.06 -0.06 -2.47 0.00 0.00 174.74 171.68 3ij3 s PHE 424 N 0.74 2.96 -0.38 3.88 0.08 0.24 -0.60 117.98 124.89 3ij3 s PHE 424 Ca -0.10 -0.47 -0.06 0.00 0.12 0.00 0.00 56.93 56.41 3ij3 s PHE 424 Cb -0.16 -1.95 0.07 0.00 -0.57 0.00 0.00 43.02 40.41 3ij3 s PHE 424 CO 0.01 -0.15 0.18 0.34 -0.10 0.00 0.00 175.22 175.50 3ij3 s ASP 425 N 0.51 5.39 0.20 1.36 -1.08 -0.07 -0.50 116.67 122.50 3ij3 s ASP 425 Ca -0.05 -1.49 0.11 0.00 -0.52 0.00 0.00 52.55 50.61 3ij3 s ASP 425 Cb -0.15 -1.89 -0.04 0.00 -1.46 0.00 0.00 42.92 39.37 3ij3 s ASP 425 CO 0.03 -0.45 -0.23 0.27 0.52 0.00 0.00 175.17 175.31 3ij3 s ILE 426 N 1.34 2.42 -0.05 4.11 -4.36 0.19 -1.83 121.20 123.02 3ij3 s ILE 426 Ca 0.02 -2.07 0.05 0.00 -0.26 0.00 0.00 60.65 58.40 3ij3 s ILE 426 Cb -0.22 -2.18 -0.24 0.00 1.25 0.00 0.00 42.46 41.07 3ij3 s ILE 426 CO 0.01 -0.16 0.65 0.15 0.24 0.00 0.00 174.94 175.83 3ij3 h PHE 427 N 3.05 0.18 -3.65 1.37 3.57 -1.87 -0.83 116.94 118.77 3ij3 h PHE 427 Ca -0.45 -0.13 -0.41 0.00 3.53 0.00 0.00 57.97 60.50 3ij3 h PHE 427 Cb 1.22 -0.01 0.02 0.00 2.79 0.00 0.00 35.95 39.97 3ij3 h PHE 427 CO 0.70 1.25 -0.57 0.00 -2.23 0.00 0.00 178.31 177.47 3ij3 n ALA 428 N -2.67 -0.78 -3.54 2.41 0.00 -1.26 -4.82 120.51 109.85 3ij3 n ALA 428 Ca -0.20 0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 3ij3 n ALA 428 Cb 1.04 -3.00 -0.07 0.00 0.00 0.00 0.00 19.45 17.43 3ij3 n ALA 428 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ij3 s TRP 429 N -3.10 -0.68 -0.36 0.00 -0.11 -1.26 -2.01 118.94 111.41 3ij3 s TRP 429 Ca 0.14 1.54 -0.14 0.00 1.22 0.00 0.00 56.10 58.87 3ij3 s TRP 429 Cb -0.06 0.28 -0.00 0.00 -1.50 0.00 0.00 33.47 32.18 3ij3 s TRP 429 CO 0.18 -0.42 0.26 -0.80 -4.62 0.00 0.00 176.95 171.55 3ij3 s ASN 430 N -0.12 6.07 0.28 5.86 0.01 0.69 -4.85 114.94 122.89 3ij3 s ASN 430 Ca -0.03 -0.59 0.13 0.00 -0.71 0.00 0.00 52.86 51.66 3ij3 s ASN 430 Cb -0.03 -2.14 0.33 0.00 0.41 0.00 0.00 41.25 39.81 3ij3 s ASN 430 CO 0.03 -0.31 1.57 -0.07 -1.51 0.00 0.00 177.10 176.81 3ij3 h LEU 431 N 8.54 0.00 -8.75 0.60 3.38 -1.92 -2.30 115.31 114.87 3ij3 h LEU 431 Ca -0.30 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.14 3ij3 h LEU 431 Cb 1.14 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.70 3ij3 h LEU 431 CO 0.67 0.58 -0.80 -1.61 0.09 0.00 0.00 178.44 177.37 3ij3 s GLU 432 N -3.36 1.19 -0.17 1.13 2.02 -1.26 -4.93 118.70 113.32 3ij3 s GLU 432 Ca 0.00 -1.28 -0.29 0.00 0.02 0.00 0.00 54.97 53.42 3ij3 s GLU 432 Cb 0.11 -1.34 -0.01 0.00 0.10 0.00 0.00 34.13 32.98 3ij3 s GLU 432 CO 0.74 0.29 1.26 -0.51 0.02 0.00 0.00 175.26 177.07 3ij3 s ASP 433 N -2.29 6.94 0.18 -0.19 1.01 -1.26 -4.32 116.67 116.73 3ij3 s ASP 433 Ca 0.11 1.68 0.05 0.00 0.71 0.00 0.00 52.55 55.10 3ij3 s ASP 433 Cb -0.08 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 3ij3 s ASP 433 CO 0.05 -0.77 -0.09 -0.76 0.21 0.00 0.00 175.17 173.82 3ij3 s LEU 434 N 3.51 2.48 -0.03 1.23 1.43 -0.81 -5.01 118.68 121.48 3ij3 s LEU 434 Ca 0.55 -1.05 -0.34 0.00 -1.03 0.00 0.00 54.13 52.25 3ij3 s LEU 434 Cb -0.21 -0.41 -0.12 0.00 0.03 0.00 0.00 46.19 45.48 3ij3 s LEU 434 CO 0.15 -0.33 1.83 -2.65 0.23 0.00 0.00 176.35 175.58 3ij3 n PRO 435 N -0.28 2.23 -0.72 1.29 -0.02 -1.26 -0.50 135.00 135.74 3ij3 n PRO 435 Ca -0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3ij3 n PRO 435 Cb 0.61 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3ij3 n PRO 435 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ij3 n GLY 436 N 4.24 1.28 2.54 -1.23 0.00 -1.07 -4.64 105.19 106.31 3ij3 n GLY 436 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 3ij3 n GLY 436 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ij3 s ARG 437 N -0.11 1.22 0.58 1.61 0.52 0.35 -3.89 118.95 119.23 3ij3 s ARG 437 Ca 0.00 -2.27 -0.18 0.00 -0.52 0.00 0.00 55.73 52.76 3ij3 s ARG 437 Cb 0.00 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 3ij3 s ARG 437 CO 0.00 -1.33 1.14 -2.14 0.02 0.00 0.00 175.30 173.00 3ij3 s PRO 438 N -0.11 3.16 0.23 3.54 0.02 -1.26 -1.93 135.00 138.65 3ij3 s PRO 438 Ca 0.28 1.61 -0.32 0.00 0.02 0.00 0.00 61.00 62.60 3ij3 s PRO 438 Cb -0.04 -1.98 -0.13 0.00 0.02 0.00 0.00 34.50 32.38 3ij3 s PRO 438 CO -0.15 -1.01 1.52 -0.89 -0.33 0.00 0.00 177.00 176.14 3ij3 n ILE 439 N -1.59 0.66 0.00 2.83 5.41 -1.26 -4.61 119.36 120.79 3ij3 n ILE 439 Ca 0.12 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3ij3 n ILE 439 Cb 0.51 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 3ij3 n ILE 439 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ij3 n GLY 440 N 2.62 0.65 3.70 7.39 0.00 -0.86 -4.95 105.19 113.74 3ij3 n GLY 440 Ca 0.13 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 3ij3 n GLY 440 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ij3 n GLY 441 N 0.00 0.38 3.30 -0.02 0.00 -1.26 -0.22 105.19 107.37 3ij3 n GLY 441 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 3ij3 n GLY 441 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ij3 s GLU 442 N -3.12 0.74 -0.15 1.61 2.56 -0.85 -4.69 118.70 114.79 3ij3 s GLU 442 Ca 0.79 -0.07 -0.16 0.00 0.00 0.00 0.00 54.97 55.53 3ij3 s GLU 442 Cb -0.40 0.33 -0.04 0.00 2.00 0.00 0.00 34.13 36.02 3ij3 s GLU 442 CO 0.44 -0.21 0.40 0.00 -0.56 0.00 0.00 175.26 175.33 3ij3 s ALA 443 N -1.22 3.53 0.00 6.30 0.00 -1.26 -4.31 121.76 124.80 3ij3 s ALA 443 Ca -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.50 3ij3 s ALA 443 Cb -0.04 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.51 3ij3 s ALA 443 CO 0.05 -0.04 -0.04 -1.64 0.00 0.00 0.00 175.76 174.09 3ij3 s MET 444 N 0.74 0.34 0.00 0.00 -1.94 -1.26 -4.91 119.30 112.28 3ij3 s MET 444 Ca 0.21 -0.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.99 3ij3 s MET 444 Cb -0.14 -0.30 0.00 0.00 2.01 0.00 0.00 34.83 36.39 3ij3 s MET 444 CO 0.08 0.08 0.00 0.00 -0.01 0.00 0.00 175.02 175.17 3ij3 n ALA 445 N 2.82 0.00 -0.23 3.03 0.00 -1.26 -4.89 120.51 119.97 3ij3 n ALA 445 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 3ij3 n ALA 445 Cb 0.58 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.17 3ij3 n ALA 445 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ij3 h LEU 446 N 0.00 0.96 -0.97 0.00 3.38 -1.95 -1.52 115.31 115.21 3ij3 h LEU 446 Ca 0.00 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3ij3 h LEU 446 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3ij3 h LEU 446 CO 0.00 0.86 -0.03 0.03 0.09 0.00 0.00 178.44 179.38 3ij3 h ARG 447 N 1.02 0.72 0.09 1.13 3.08 -1.95 0.13 114.38 118.60 3ij3 h ARG 447 Ca 0.24 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ij3 h ARG 447 Cb 0.20 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3ij3 h ARG 447 CO -0.02 0.75 -0.04 0.00 -1.07 0.00 0.00 179.97 179.59 3ij3 h ALA 448 N 1.30 -0.12 -0.52 0.04 0.00 -1.76 -1.59 119.26 116.62 3ij3 h ALA 448 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ij3 h ALA 448 Cb 0.46 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3ij3 h ALA 448 CO 0.02 -0.40 0.33 0.28 0.00 0.00 0.00 179.25 179.49 3ij3 h VAL 449 N -0.47 1.11 -0.70 0.00 2.07 -1.13 -1.70 116.25 115.44 3ij3 h VAL 449 Ca -0.01 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3ij3 h VAL 449 Cb 0.39 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3ij3 h VAL 449 CO 0.02 0.12 0.34 0.15 0.02 0.00 0.00 177.57 178.22 3ij3 h PHE 450 N 0.68 1.00 -0.35 1.57 3.57 -0.73 -1.14 116.94 121.54 3ij3 h PHE 450 Ca 0.19 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.69 3ij3 h PHE 450 Cb -0.06 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.33 3ij3 h PHE 450 CO -0.05 0.74 0.08 1.25 -2.23 0.00 0.00 178.31 178.11 3ij3 h HIS 451 N 0.97 0.14 -0.37 0.41 2.76 -0.98 -0.57 115.15 117.51 3ij3 h HIS 451 Ca 0.24 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.49 3ij3 h HIS 451 Cb 0.11 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.01 3ij3 h HIS 451 CO 0.00 0.04 0.04 -0.92 -1.30 0.00 0.00 177.93 175.79 3ij3 h TYR 452 N 0.21 0.06 -0.88 5.26 3.20 -0.85 -1.06 116.97 122.89 3ij3 h TYR 452 Ca 0.16 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3ij3 h TYR 452 Cb 0.17 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3ij3 h TYR 452 CO -0.17 -0.03 0.50 -0.07 -1.64 0.00 0.00 178.16 176.75 3ij3 h LEU 453 N 0.15 1.09 -0.56 2.82 3.38 -0.71 -0.21 115.31 121.27 3ij3 h LEU 453 Ca 0.18 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3ij3 h LEU 453 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ij3 h LEU 453 CO -0.27 0.86 0.11 -0.33 0.09 0.00 0.00 178.44 178.91 3ij3 h GLU 454 N 1.23 0.91 -0.66 1.13 5.08 -0.76 -0.50 114.58 121.01 3ij3 h GLU 454 Ca 0.31 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3ij3 h GLU 454 Cb 0.00 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3ij3 h GLU 454 CO -0.05 0.86 0.12 1.96 -1.00 0.00 0.00 179.01 180.90 3ij3 h GLN 455 N 0.81 1.07 0.23 2.33 1.08 -0.77 -2.70 115.11 117.16 3ij3 h GLN 455 Ca 0.17 -0.27 -0.33 0.00 -1.45 0.00 0.00 58.65 56.77 3ij3 h GLN 455 Cb 0.38 -0.13 0.03 0.00 -0.05 0.00 0.00 27.48 27.71 3ij3 h GLN 455 CO 0.01 0.97 -1.48 1.96 -0.95 0.00 0.00 178.83 179.34 3ij3 h GLN 456 N 1.01 0.49 0.00 1.46 1.08 -0.87 -3.39 115.11 114.88 3ij3 h GLN 456 Ca 0.20 -0.84 0.00 0.00 -1.45 0.00 0.00 58.65 56.57 3ij3 h GLN 456 Cb 0.42 0.31 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 3ij3 h GLN 456 CO 0.01 1.40 -1.37 0.66 -0.95 0.00 0.00 178.83 178.58 3ij3 n TYR 457 N -3.68 0.04 1.46 2.96 4.01 -0.21 -5.10 117.16 116.64 3ij3 n TYR 457 Ca -0.16 0.01 0.12 0.00 -0.16 0.00 0.00 57.90 57.70 3ij3 n TYR 457 Cb 1.09 -0.24 0.69 0.00 -0.31 0.00 0.00 39.34 40.57 3ij3 n TYR 457 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94