#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dn5 h SER 2 N 0.00 0.00 -3.88 0.00 4.64 -2.02 -3.47 113.55 108.82 3dn5 h SER 2 Ca 0.00 -0.01 -0.41 0.00 -0.47 0.00 0.00 61.79 60.90 3dn5 h SER 2 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 3dn5 h SER 2 CO 0.00 0.01 -0.75 -0.13 -0.87 0.00 0.00 176.83 175.09 3dn5 s ARG 3 N -3.31 1.09 -0.02 4.77 0.52 -1.26 -0.81 118.95 119.93 3dn5 s ARG 3 Ca 0.02 -1.34 0.08 0.00 -0.52 0.00 0.00 55.73 53.97 3dn5 s ARG 3 Cb 0.09 -0.91 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 3dn5 s ARG 3 CO 0.75 0.16 -0.24 -1.50 0.02 0.00 0.00 175.30 174.49 3dn5 s ILE 4 N -2.46 1.91 -0.07 1.52 2.07 -0.08 -4.87 121.20 119.23 3dn5 s ILE 4 Ca 0.13 -1.05 -0.30 0.00 -1.41 0.00 0.00 60.65 58.02 3dn5 s ILE 4 Cb -0.03 -1.59 -0.03 0.00 0.13 0.00 0.00 42.46 40.94 3dn5 s ILE 4 CO 0.03 0.53 1.22 -0.22 -1.91 0.00 0.00 174.94 174.59 3dn5 s LEU 5 N -0.59 4.27 0.50 8.50 2.96 -1.26 -0.49 118.68 132.56 3dn5 s LEU 5 Ca 0.09 1.81 -0.02 0.00 -0.22 0.00 0.00 54.13 55.80 3dn5 s LEU 5 Cb -0.09 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.04 3dn5 s LEU 5 CO -0.01 -0.61 0.75 -0.76 -1.32 0.00 0.00 176.35 174.40 3dn5 s LEU 6 N 2.37 3.50 0.00 -0.68 1.43 -0.08 -4.97 118.68 120.25 3dn5 s LEU 6 Ca 0.56 0.41 0.14 0.00 -1.03 0.00 0.00 54.13 54.22 3dn5 s LEU 6 Cb -0.25 -3.28 0.84 0.00 0.03 0.00 0.00 46.19 43.54 3dn5 s LEU 6 CO 0.21 -0.83 1.31 -0.46 0.23 0.00 0.00 176.35 176.80 3dn5 n ASN 7 N -2.25 0.00 -1.11 2.29 0.23 -1.26 -1.55 115.26 111.60 3dn5 n ASN 7 Ca 0.03 -0.34 0.10 0.00 -0.53 0.00 0.00 54.58 53.84 3dn5 n ASN 7 Cb 0.58 -0.06 0.24 0.00 -2.08 0.00 0.00 39.78 38.46 3dn5 n ASN 7 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3dn5 n ASN 8 N -1.06 3.51 0.00 0.53 6.94 -1.26 -4.96 115.26 118.96 3dn5 n ASN 8 Ca 0.10 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 3dn5 n ASN 8 Cb 0.06 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 3dn5 n ASN 8 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dn5 n GLY 9 N 1.34 1.72 3.93 4.83 0.00 -0.60 -5.04 105.19 111.38 3dn5 n GLY 9 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 3dn5 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dn5 s ALA 10 N -3.28 3.59 -0.14 4.61 0.00 -1.26 -4.86 121.76 120.43 3dn5 s ALA 10 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 3dn5 s ALA 10 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 3dn5 s ALA 10 CO 0.00 -0.21 -0.04 0.15 0.00 0.00 0.00 175.76 175.66 3dn5 s LYS 11 N -4.52 3.49 -0.19 0.00 1.02 -1.26 -0.91 119.74 117.37 3dn5 s LYS 11 Ca 0.44 -0.52 -0.04 0.00 0.02 0.00 0.00 55.97 55.88 3dn5 s LYS 11 Cb -0.10 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 3dn5 s LYS 11 CO 0.40 0.34 -0.04 1.41 -0.92 0.00 0.00 175.35 176.54 3dn5 s MET 12 N 0.09 3.52 0.27 1.68 -2.45 0.36 -4.86 119.30 117.91 3dn5 s MET 12 Ca -0.01 -0.57 -0.30 0.00 -1.25 0.00 0.00 55.69 53.56 3dn5 s MET 12 Cb -0.14 -2.97 -0.11 0.00 1.25 0.00 0.00 34.83 32.86 3dn5 s MET 12 CO 0.03 0.01 1.58 -2.14 1.05 0.00 0.00 175.02 175.55 3dn5 s PRO 13 N 0.96 4.15 0.15 4.11 0.02 -1.26 -0.91 135.00 142.23 3dn5 s PRO 13 Ca 0.00 2.52 0.26 0.00 0.02 0.00 0.00 61.00 63.80 3dn5 s PRO 13 Cb -0.15 -3.05 0.93 0.00 0.02 0.00 0.00 34.50 32.25 3dn5 s PRO 13 CO 0.01 -0.61 1.78 0.44 -0.33 0.00 0.00 177.00 178.30 3dn5 n ILE 14 N 2.48 0.52 -4.29 2.83 -5.35 0.01 -4.55 119.36 111.01 3dn5 n ILE 14 Ca 0.09 -0.10 -0.33 0.00 -0.27 0.00 0.00 62.75 62.14 3dn5 n ILE 14 Cb 0.38 -0.68 -0.16 0.00 -1.74 0.00 0.00 39.64 37.44 3dn5 n ILE 14 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3dn5 s LEU 15 N -4.05 2.31 0.33 7.28 2.96 -1.26 -0.03 118.68 126.22 3dn5 s LEU 15 Ca 0.10 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 3dn5 s LEU 15 Cb 0.13 -1.53 -0.06 0.00 0.50 0.00 0.00 46.19 45.24 3dn5 s LEU 15 CO 0.53 0.03 0.07 -0.83 -1.32 0.00 0.00 176.35 174.83 3dn5 s GLY 16 N 1.11 2.11 -0.25 7.98 0.00 -0.38 -4.37 107.32 113.53 3dn5 s GLY 16 Ca 0.00 -1.96 -0.10 0.00 0.00 0.00 0.00 44.72 42.67 3dn5 s GLY 16 CO -0.07 -1.80 0.15 -2.27 0.00 0.00 0.00 173.10 169.11 3dn5 s LEU 17 N -3.49 3.98 0.50 0.66 2.96 -0.15 -3.24 118.68 119.90 3dn5 s LEU 17 Ca 0.35 0.03 -0.20 0.00 -0.22 0.00 0.00 54.13 54.10 3dn5 s LEU 17 Cb 0.08 -2.08 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 3dn5 s LEU 17 CO 0.15 0.03 1.05 -0.83 -1.32 0.00 0.00 176.35 175.43 3dn5 s GLY 18 N 1.27 2.51 0.00 7.98 0.00 -0.38 -0.80 107.32 117.90 3dn5 s GLY 18 Ca 0.07 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.41 3dn5 s GLY 18 CO 0.06 0.95 0.54 -1.30 0.00 0.00 0.00 173.10 173.35 3dn5 n THR 19 N -1.05 0.27 -1.98 0.90 -2.24 -1.14 -4.21 114.28 104.83 3dn5 n THR 19 Ca 0.10 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3dn5 n THR 19 Cb 0.52 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 3dn5 n THR 19 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3dn5 s TRP 20 N -0.27 2.92 -0.57 4.78 -0.00 -1.26 -2.15 118.94 122.40 3dn5 s TRP 20 Ca 0.00 0.61 0.00 0.00 -0.00 0.00 0.00 56.10 56.71 3dn5 s TRP 20 Cb 0.00 -3.89 0.00 0.00 -0.00 0.00 0.00 33.47 29.58 3dn5 s TRP 20 CO 0.00 -3.33 0.00 1.63 -0.00 0.00 0.00 176.95 175.25 3dn5 n LYS 21 N 4.43 -0.74 -2.75 5.86 5.02 -1.26 -4.99 118.16 123.74 3dn5 n LYS 21 Ca 0.14 0.57 -0.43 0.00 -2.02 0.00 0.00 58.31 56.57 3dn5 n LYS 21 Cb 0.40 -4.36 -0.03 0.00 -0.02 0.00 0.00 35.03 31.01 3dn5 n LYS 21 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3dn5 s SER 22 N -2.52 6.59 0.51 4.39 0.01 -0.91 -5.01 113.70 116.76 3dn5 s SER 22 Ca 0.00 0.36 -0.22 0.00 1.31 0.00 0.00 55.95 57.39 3dn5 s SER 22 Cb 0.00 -2.48 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 3dn5 s SER 22 CO 0.00 -1.05 1.29 -2.84 0.41 0.00 0.00 173.24 171.04 3dn5 s PRO 23 N 3.88 3.39 0.59 12.44 0.02 -1.26 -4.65 135.00 149.40 3dn5 s PRO 23 Ca 0.41 2.07 0.28 0.00 0.02 0.00 0.00 61.00 63.78 3dn5 s PRO 23 Cb -0.10 -2.33 1.67 0.00 0.02 0.00 0.00 34.50 33.77 3dn5 s PRO 23 CO 0.26 -0.94 2.13 -1.35 -0.33 0.00 0.00 177.00 176.77 3dn5 h PRO 24 N 1.71 0.00 0.00 5.54 0.11 -1.93 0.11 132.00 137.54 3dn5 h PRO 24 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dn5 h PRO 24 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3dn5 h PRO 24 CO 0.58 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.78 3dn5 n GLY 25 N -1.40 -1.39 0.00 -0.55 0.00 -1.26 -3.79 105.19 96.81 3dn5 n GLY 25 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3dn5 n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dn5 n GLN 26 N -2.15 3.72 0.07 1.61 6.02 0.16 -4.85 117.38 121.97 3dn5 n GLN 26 Ca 0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.98 3dn5 n GLN 26 Cb 0.29 -0.56 -0.09 0.00 1.02 0.00 0.00 30.24 30.89 3dn5 n GLN 26 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 3dn5 h VAL 27 N 0.00 1.49 -0.38 5.09 3.04 -0.99 -2.85 116.25 121.64 3dn5 h VAL 27 Ca 0.00 -3.12 0.00 0.00 -1.01 0.00 0.00 66.70 62.57 3dn5 h VAL 27 Cb 0.00 2.73 -0.02 0.00 -2.01 0.00 0.00 31.29 31.99 3dn5 h VAL 27 CO 0.00 0.85 0.25 0.74 -1.01 0.00 0.00 177.57 178.40 3dn5 h THR 28 N 0.00 1.10 -0.34 3.17 2.02 -1.77 -0.46 112.91 116.63 3dn5 h THR 28 Ca -0.02 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 3dn5 h THR 28 Cb 1.69 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3dn5 h THR 28 CO 0.11 0.10 -0.12 -0.33 0.37 0.00 0.00 175.52 175.65 3dn5 h GLU 29 N 0.52 0.59 -0.25 6.66 5.08 -1.90 -1.70 114.58 123.58 3dn5 h GLU 29 Ca 0.14 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3dn5 h GLU 29 Cb -0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3dn5 h GLU 29 CO -0.03 0.70 0.15 0.00 -1.00 0.00 0.00 179.01 178.83 3dn5 h ALA 30 N 1.33 0.32 -0.59 3.43 0.00 -1.16 -1.17 119.26 121.42 3dn5 h ALA 30 Ca 0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3dn5 h ALA 30 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dn5 h ALA 30 CO 0.03 -0.18 -0.03 0.28 0.00 0.00 0.00 179.25 179.35 3dn5 h VAL 31 N 0.31 1.27 -0.10 0.00 2.07 -0.96 -0.53 116.25 118.30 3dn5 h VAL 31 Ca 0.09 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3dn5 h VAL 31 Cb 0.02 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3dn5 h VAL 31 CO -0.02 0.43 -0.07 0.11 0.02 0.00 0.00 177.57 178.05 3dn5 h LYS 32 N 0.96 -0.07 -0.75 1.57 1.57 -1.05 -0.04 116.57 118.77 3dn5 h LYS 32 Ca 0.16 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3dn5 h LYS 32 Cb 0.60 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3dn5 h LYS 32 CO 0.04 -0.04 0.34 0.28 -0.57 0.00 0.00 179.45 179.49 3dn5 h VAL 33 N -0.07 1.25 -0.09 0.50 2.07 -1.11 -1.28 116.25 117.52 3dn5 h VAL 33 Ca 0.06 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3dn5 h VAL 33 Cb 0.16 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3dn5 h VAL 33 CO -0.14 0.30 0.04 0.00 0.02 0.00 0.00 177.57 177.78 3dn5 h ALA 34 N 1.17 0.10 -0.55 1.67 0.00 -0.74 -0.68 119.26 120.24 3dn5 h ALA 34 Ca 0.26 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3dn5 h ALA 34 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dn5 h ALA 34 CO -0.03 -0.42 0.24 0.82 0.00 0.00 0.00 179.25 179.86 3dn5 h ILE 35 N 0.09 1.21 -0.98 0.00 2.04 -0.77 -0.39 117.51 118.71 3dn5 h ILE 35 Ca 0.04 -0.64 0.12 0.00 1.00 0.00 0.00 64.86 65.38 3dn5 h ILE 35 Cb 0.01 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 3dn5 h ILE 35 CO -0.03 0.25 0.61 0.44 0.00 0.00 0.00 178.15 179.42 3dn5 h ASP 36 N 0.75 0.89 -0.12 1.72 3.32 -0.80 -2.82 116.42 119.36 3dn5 h ASP 36 Ca 0.19 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3dn5 h ASP 36 Cb 0.16 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3dn5 h ASP 36 CO -0.02 0.48 0.00 1.33 -1.72 0.00 0.00 179.24 179.31 3dn5 n VAL 37 N -4.64 0.14 0.00 -1.35 0.24 -0.30 -4.93 118.33 107.50 3dn5 n VAL 37 Ca 0.18 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3dn5 n VAL 37 Cb 0.34 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 3dn5 n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dn5 n GLY 38 N 1.21 0.75 3.77 7.63 0.00 -0.75 -5.05 105.19 112.75 3dn5 n GLY 38 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3dn5 n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dn5 s TYR 39 N -1.38 3.01 0.00 1.61 1.51 -0.23 -4.88 117.35 116.98 3dn5 s TYR 39 Ca 0.00 1.47 0.00 0.00 -1.01 0.00 0.00 57.07 57.53 3dn5 s TYR 39 Cb 0.00 -3.57 0.00 0.00 -0.11 0.00 0.00 41.96 38.28 3dn5 s TYR 39 CO 0.00 -1.69 0.10 0.54 -1.11 0.00 0.00 175.55 173.39 3dn5 n ARG 40 N 0.39 2.40 -4.68 -0.62 5.12 -1.26 -4.28 116.66 113.73 3dn5 n ARG 40 Ca 0.02 -0.10 -0.33 0.00 -1.93 0.00 0.00 57.85 55.51 3dn5 n ARG 40 Cb 0.44 -0.47 -0.16 0.00 -1.16 0.00 0.00 32.46 31.11 3dn5 n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3dn5 s HIS 41 N -0.37 2.71 -0.09 -1.55 2.46 -1.26 0.39 115.29 117.58 3dn5 s HIS 41 Ca 0.00 -1.16 0.03 0.00 0.47 0.00 0.00 55.06 54.41 3dn5 s HIS 41 Cb 0.00 -1.84 0.00 0.00 -0.13 0.00 0.00 32.58 30.62 3dn5 s HIS 41 CO 0.00 -0.52 -0.21 0.42 -2.47 0.00 0.00 174.74 171.96 3dn5 s ILE 42 N 0.74 1.82 -0.29 0.89 -1.09 -0.92 -0.98 121.20 121.36 3dn5 s ILE 42 Ca -0.08 -0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 57.34 3dn5 s ILE 42 Cb -0.16 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 3dn5 s ILE 42 CO 0.00 0.51 0.23 -0.62 -1.23 0.00 0.00 174.94 173.83 3dn5 s ASP 43 N 0.45 6.06 0.45 3.58 2.15 0.02 -1.74 116.67 127.63 3dn5 s ASP 43 Ca -0.17 -0.07 0.05 0.00 0.43 0.00 0.00 52.55 52.78 3dn5 s ASP 43 Cb -0.17 -2.14 -0.05 0.00 -0.30 0.00 0.00 42.92 40.26 3dn5 s ASP 43 CO 0.07 -0.11 0.01 0.00 -0.17 0.00 0.00 175.17 174.97 3dn5 s ALA 45 N -2.79 -1.77 0.28 0.00 0.00 -1.26 -3.73 121.76 112.49 3dn5 s ALA 45 Ca 0.24 1.54 -0.00 0.00 0.00 0.00 0.00 51.96 53.74 3dn5 s ALA 45 Cb 0.07 -0.38 0.49 0.00 0.00 0.00 0.00 23.12 23.30 3dn5 s ALA 45 CO 0.12 -0.36 1.88 1.25 0.00 0.00 0.00 175.76 178.65 3dn5 h HIS 46 N 3.65 1.13 0.00 0.00 -0.00 -1.97 -1.71 115.15 116.25 3dn5 h HIS 46 Ca -0.28 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 3dn5 h HIS 46 Cb 1.15 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 28.19 3dn5 h HIS 46 CO 0.38 0.55 0.00 -0.24 -0.00 0.00 0.00 177.93 178.63 3dn5 h VAL 47 N 1.08 0.00 0.00 5.26 3.04 -1.96 -1.97 116.25 121.70 3dn5 h VAL 47 Ca 0.43 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 3dn5 h VAL 47 Cb 0.27 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 3dn5 h VAL 47 CO -0.18 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.16 3dn5 n TYR 48 N -2.91 0.48 -2.09 3.17 4.01 -0.64 -4.90 117.16 114.29 3dn5 n TYR 48 Ca -0.00 0.17 -0.17 0.00 -0.16 0.00 0.00 57.90 57.74 3dn5 n TYR 48 Cb 0.22 -0.77 -0.03 0.00 -0.31 0.00 0.00 39.34 38.45 3dn5 n TYR 48 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3dn5 n GLN 49 N -1.92 -1.29 -0.20 -0.72 6.02 -0.74 -4.78 117.38 113.75 3dn5 n GLN 49 Ca 0.04 0.89 0.01 0.00 -0.01 0.00 0.00 57.00 57.93 3dn5 n GLN 49 Cb 0.29 -5.26 0.01 0.00 1.02 0.00 0.00 30.24 26.30 3dn5 n GLN 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3dn5 n ASN 50 N -1.06 0.28 0.11 1.08 2.04 -1.26 -4.80 115.26 111.64 3dn5 n ASN 50 Ca -0.19 -1.58 0.00 0.00 -0.44 0.00 0.00 54.58 52.37 3dn5 n ASN 50 Cb 0.62 -0.10 0.31 0.00 -2.53 0.00 0.00 39.78 38.08 3dn5 n ASN 50 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 3dn5 h GLU 51 N 0.00 0.23 -0.45 -3.83 5.08 -1.88 -1.12 114.58 112.62 3dn5 h GLU 51 Ca 0.00 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3dn5 h GLU 51 Cb 1.12 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 3dn5 h GLU 51 CO 0.00 0.49 0.23 -0.91 -1.00 0.00 0.00 179.01 177.82 3dn5 h ASN 52 N 0.21 0.34 0.84 1.42 2.35 -1.90 0.88 115.58 119.72 3dn5 h ASN 52 Ca 0.03 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 3dn5 h ASN 52 Cb 0.60 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3dn5 h ASN 52 CO 0.04 0.24 -0.50 -0.33 -1.65 0.00 0.00 177.43 175.24 3dn5 h GLU 53 N 0.46 0.00 -0.43 0.81 3.07 -1.67 -0.95 114.58 115.86 3dn5 h GLU 53 Ca 0.19 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 3dn5 h GLU 53 Cb 0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3dn5 h GLU 53 CO -0.13 0.50 0.16 0.28 -1.40 0.00 0.00 179.01 178.42 3dn5 h VAL 54 N 0.00 1.21 -0.68 3.13 2.07 -0.92 -2.99 116.25 118.07 3dn5 h VAL 54 Ca -0.00 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3dn5 h VAL 54 Cb 1.05 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 3dn5 h VAL 54 CO 0.06 0.24 0.31 1.23 0.02 0.00 0.00 177.57 179.44 3dn5 h GLY 55 N 0.55 1.04 0.59 2.17 0.00 -0.22 -1.66 103.07 105.53 3dn5 h GLY 55 Ca 0.14 -0.50 0.07 0.00 0.00 0.00 0.00 47.33 47.04 3dn5 h GLY 55 CO -0.01 0.48 0.33 -2.08 0.00 0.00 0.00 176.54 175.26 3dn5 h VAL 56 N 0.96 0.90 -0.11 4.60 2.07 -1.12 0.15 116.25 123.70 3dn5 h VAL 56 Ca 0.23 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3dn5 h VAL 56 Cb 0.12 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3dn5 h VAL 56 CO -0.03 0.11 0.02 0.00 0.02 0.00 0.00 177.57 177.69 3dn5 h ALA 57 N 1.37 0.15 -0.35 1.67 0.00 -1.24 -1.92 119.26 118.95 3dn5 h ALA 57 Ca 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3dn5 h ALA 57 Cb 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3dn5 h ALA 57 CO -0.22 -0.21 0.20 0.82 0.00 0.00 0.00 179.25 179.84 3dn5 h ILE 58 N -0.03 1.12 -0.63 0.00 2.04 -1.11 -1.85 117.51 117.06 3dn5 h ILE 58 Ca 0.03 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3dn5 h ILE 58 Cb 0.27 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3dn5 h ILE 58 CO 0.00 0.13 0.35 -0.61 0.00 0.00 0.00 178.15 178.02 3dn5 h GLN 59 N 0.44 0.86 -0.23 2.37 4.15 -0.83 -0.27 115.11 121.61 3dn5 h GLN 59 Ca 0.12 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 3dn5 h GLN 59 Cb 0.03 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 3dn5 h GLN 59 CO -0.02 0.62 -0.02 1.49 -1.93 0.00 0.00 178.83 178.97 3dn5 h GLU 60 N 0.87 0.41 0.00 1.69 4.81 -1.03 0.45 114.58 121.78 3dn5 h GLU 60 Ca 0.22 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 3dn5 h GLU 60 Cb 0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3dn5 h GLU 60 CO -0.04 0.62 -0.38 0.87 -0.73 0.00 0.00 179.01 179.35 3dn5 h LYS 61 N 0.17 0.00 -0.31 1.92 1.79 -0.90 0.41 116.57 119.65 3dn5 h LYS 61 Ca 0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 3dn5 h LYS 61 Cb 0.44 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 3dn5 h LYS 61 CO 0.02 0.38 0.08 -0.07 -1.08 0.00 0.00 179.45 178.77 3dn5 h LEU 62 N 0.00 0.46 -1.62 2.94 3.38 -0.80 -1.81 115.31 117.85 3dn5 h LEU 62 Ca -0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3dn5 h LEU 62 Cb 0.77 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3dn5 h LEU 62 CO 0.05 0.56 -0.21 0.03 0.09 0.00 0.00 178.44 178.97 3dn5 h ARG 63 N 0.34 0.00 0.00 1.13 2.47 0.47 -1.37 114.38 117.42 3dn5 h ARG 63 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3dn5 h ARG 63 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3dn5 h ARG 63 CO -0.00 0.21 0.00 0.39 0.56 0.00 0.00 179.97 181.13 3dn5 n GLU 64 N -4.11 0.23 -2.19 0.04 4.71 0.13 -4.92 120.64 114.54 3dn5 n GLU 64 Ca -0.02 0.25 -0.06 0.00 -0.01 0.00 0.00 57.16 57.32 3dn5 n GLU 64 Cb 0.28 -1.80 0.00 0.00 -1.01 0.00 0.00 31.44 28.90 3dn5 n GLU 64 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3dn5 n GLN 65 N -2.21 -0.66 0.06 3.49 6.02 -0.52 -4.94 117.38 118.62 3dn5 n GLN 65 Ca 0.05 0.27 -0.19 0.00 -0.01 0.00 0.00 57.00 57.12 3dn5 n GLN 65 Cb 0.38 -4.02 -0.14 0.00 1.02 0.00 0.00 30.24 27.48 3dn5 n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3dn5 h VAL 66 N -0.09 1.04 -3.92 5.09 2.07 -1.56 -3.48 116.25 115.40 3dn5 h VAL 66 Ca -0.14 -2.67 -0.11 0.00 0.82 0.00 0.00 66.70 64.60 3dn5 h VAL 66 Cb 1.10 2.73 -0.16 0.00 -1.52 0.00 0.00 31.29 33.45 3dn5 h VAL 66 CO 0.16 0.82 -0.51 0.68 0.02 0.00 0.00 177.57 178.74 3dn5 s VAL 67 N -2.60 0.16 0.06 2.57 -7.23 -1.24 -5.08 120.40 107.04 3dn5 s VAL 67 Ca -0.12 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 3dn5 s VAL 67 Cb 0.06 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 3dn5 s VAL 67 CO 0.85 -0.73 0.15 -0.54 -0.31 0.00 0.00 175.10 174.52 3dn5 s LYS 68 N -3.41 3.18 0.27 4.82 1.02 -1.26 -4.45 119.74 119.92 3dn5 s LYS 68 Ca 0.02 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.46 3dn5 s LYS 68 Cb 0.03 -2.90 0.58 0.00 -0.52 0.00 0.00 37.83 35.02 3dn5 s LYS 68 CO -0.08 0.59 1.76 -0.09 -0.92 0.00 0.00 175.35 176.61 3dn5 h ARG 69 N 3.23 0.62 0.00 1.68 9.65 -1.98 -1.26 114.38 126.33 3dn5 h ARG 69 Ca -0.46 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.37 3dn5 h ARG 69 Cb 1.16 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 3dn5 h ARG 69 CO 0.71 0.41 -0.06 1.49 2.80 0.00 0.00 179.97 185.33 3dn5 h GLU 70 N 0.64 0.00 0.00 0.20 4.57 -2.03 -1.37 114.58 116.59 3dn5 h GLU 70 Ca 0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.67 3dn5 h GLU 70 Cb 0.71 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3dn5 h GLU 70 CO -0.37 0.06 -0.23 0.39 -1.18 0.00 0.00 179.01 177.67 3dn5 n GLU 71 N -3.83 0.19 -3.56 1.92 1.02 -0.48 -4.85 120.64 111.05 3dn5 n GLU 71 Ca -0.03 0.11 -0.30 0.00 -0.02 0.00 0.00 57.16 56.92 3dn5 n GLU 71 Cb 0.15 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 29.85 3dn5 n GLU 71 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3dn5 s LEU 72 N -3.96 4.20 -0.37 -4.62 1.43 -0.52 -4.85 118.68 109.99 3dn5 s LEU 72 Ca 0.10 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 3dn5 s LEU 72 Cb 0.15 -3.41 0.11 0.00 0.03 0.00 0.00 46.19 43.07 3dn5 s LEU 72 CO 0.63 -0.04 0.14 0.12 0.23 0.00 0.00 176.35 177.43 3dn5 s PHE 73 N -1.81 2.43 -0.21 0.29 2.19 0.16 -4.96 117.98 116.08 3dn5 s PHE 73 Ca 0.42 -2.37 -0.08 0.00 0.33 0.00 0.00 56.93 55.24 3dn5 s PHE 73 Cb -0.11 -2.17 -0.04 0.00 -1.31 0.00 0.00 43.02 39.39 3dn5 s PHE 73 CO 0.26 -0.86 0.07 0.42 1.83 0.00 0.00 175.22 176.94 3dn5 s ILE 74 N 0.93 4.64 -0.09 3.12 -1.09 -1.26 -2.17 121.20 125.26 3dn5 s ILE 74 Ca 0.13 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.49 3dn5 s ILE 74 Cb -0.20 -3.13 -0.02 0.00 -1.58 0.00 0.00 42.46 37.53 3dn5 s ILE 74 CO -0.12 0.40 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.16 3dn5 s VAL 75 N 0.96 3.03 0.29 2.92 1.01 -0.71 -0.92 120.40 126.97 3dn5 s VAL 75 Ca 0.04 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3dn5 s VAL 75 Cb -0.14 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3dn5 s VAL 75 CO 0.03 0.55 0.20 -0.24 0.00 0.00 0.00 175.10 175.65 3dn5 n SER 76 N 3.01 -0.13 -3.85 3.32 2.88 -0.79 -0.15 113.62 117.91 3dn5 n SER 76 Ca -0.18 -2.80 -0.12 0.00 -1.33 0.00 0.00 58.87 54.44 3dn5 n SER 76 Cb 0.52 1.24 -0.13 0.00 -0.75 0.00 0.00 64.21 65.10 3dn5 n SER 76 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3dn5 s LYS 77 N -3.16 0.12 -0.17 -1.46 1.02 -1.24 -1.17 119.74 113.68 3dn5 s LYS 77 Ca 0.29 0.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.06 3dn5 s LYS 77 Cb 0.01 0.06 -0.01 0.00 -0.52 0.00 0.00 37.83 37.37 3dn5 s LYS 77 CO 0.20 -0.02 1.20 -1.17 -0.92 0.00 0.00 175.35 174.65 3dn5 s LEU 78 N -0.05 4.17 0.74 3.17 2.96 0.68 -3.78 118.68 126.56 3dn5 s LEU 78 Ca -0.01 1.63 -0.11 0.00 -0.22 0.00 0.00 54.13 55.41 3dn5 s LEU 78 Cb -0.01 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.17 3dn5 s LEU 78 CO 0.00 -0.72 1.08 0.86 -1.32 0.00 0.00 176.35 176.25 3dn5 s TRP 79 N 3.28 3.06 0.49 5.38 -0.11 -1.26 -2.08 118.94 127.70 3dn5 s TRP 79 Ca 0.52 1.24 0.16 0.00 1.22 0.00 0.00 56.10 59.24 3dn5 s TRP 79 Cb -0.20 -3.00 1.18 0.00 -1.50 0.00 0.00 33.47 29.95 3dn5 s TRP 79 CO 0.13 -1.42 2.09 0.00 -4.62 0.00 0.00 176.95 173.13 3dn5 n THR 81 N -4.42 0.00 -1.50 0.00 -2.24 -1.26 -0.72 114.28 104.13 3dn5 n THR 81 Ca -0.03 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.81 3dn5 n THR 81 Cb 0.15 -0.41 0.20 0.00 -2.10 0.00 0.00 70.33 68.17 3dn5 n THR 81 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3dn5 n TYR 82 N -0.91 0.07 0.23 4.78 4.01 -0.80 -4.22 117.16 120.33 3dn5 n TYR 82 Ca 0.19 -1.42 0.13 0.00 -0.16 0.00 0.00 57.90 56.64 3dn5 n TYR 82 Cb 0.09 -0.25 0.31 0.00 -0.31 0.00 0.00 39.34 39.18 3dn5 n TYR 82 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3dn5 h HIS 83 N 0.85 0.00 -2.94 -0.72 3.86 -1.72 -3.35 115.15 111.13 3dn5 h HIS 83 Ca 0.01 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.66 3dn5 h HIS 83 Cb 1.04 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.60 3dn5 h HIS 83 CO 0.66 0.01 0.67 0.39 0.86 0.00 0.00 177.93 180.52 3dn5 n GLU 84 N -3.10 2.23 -0.33 2.45 4.71 -1.26 -4.46 120.64 120.88 3dn5 n GLU 84 Ca 0.03 0.79 0.14 0.00 -0.01 0.00 0.00 57.16 58.11 3dn5 n GLU 84 Cb 0.47 -2.47 0.33 0.00 -1.01 0.00 0.00 31.44 28.76 3dn5 n GLU 84 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3dn5 h LYS 85 N 4.10 0.55 0.00 3.49 1.57 -1.87 0.16 116.57 124.57 3dn5 h LYS 85 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3dn5 h LYS 85 Cb 1.26 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3dn5 h LYS 85 CO 0.75 0.36 0.00 0.78 -0.57 0.00 0.00 179.45 180.77 3dn5 h GLY 86 N 0.57 0.00 0.00 3.86 0.00 -1.94 -3.06 103.07 102.49 3dn5 h GLY 86 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 3dn5 h GLY 86 CO -0.46 0.00 -0.92 1.04 0.00 0.00 0.00 176.54 176.20 3dn5 n LEU 87 N -2.39 0.64 -0.07 3.11 4.77 0.55 -4.68 117.00 118.93 3dn5 n LEU 87 Ca 0.01 -0.42 -0.12 0.00 -0.03 0.00 0.00 56.01 55.44 3dn5 n LEU 87 Cb 0.17 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3dn5 n LEU 87 CO 0.17 0.16 0.68 0.58 -1.33 0.00 0.00 177.39 177.65 3dn5 h VAL 88 N 0.00 1.30 -0.43 4.08 2.07 -1.42 -2.27 116.25 119.58 3dn5 h VAL 88 Ca 0.00 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 3dn5 h VAL 88 Cb 0.44 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3dn5 h VAL 88 CO 0.00 0.35 0.21 0.50 0.02 0.00 0.00 177.57 178.65 3dn5 h LYS 89 N 0.16 0.62 -0.99 1.57 3.64 -1.83 -1.29 116.57 118.44 3dn5 h LYS 89 Ca 0.05 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3dn5 h LYS 89 Cb 0.57 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 3dn5 h LYS 89 CO 0.03 0.53 0.65 0.78 -2.27 0.00 0.00 179.45 179.17 3dn5 h GLY 90 N 0.55 1.40 1.00 5.01 0.00 -1.84 0.13 103.07 109.33 3dn5 h GLY 90 Ca 0.15 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3dn5 h GLY 90 CO -0.02 0.49 0.37 0.00 0.00 0.00 0.00 176.54 177.38 3dn5 h ALA 91 N 1.37 0.72 -0.52 3.60 0.00 -1.03 0.13 119.26 123.53 3dn5 h ALA 91 Ca 0.37 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3dn5 h ALA 91 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3dn5 h ALA 91 CO -0.09 0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.36 3dn5 h GLN 93 N 0.76 0.15 -0.57 0.00 4.20 -0.44 0.10 115.11 119.31 3dn5 h GLN 93 Ca 0.15 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3dn5 h GLN 93 Cb 0.47 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 3dn5 h GLN 93 CO 0.02 0.58 0.25 -0.22 -0.67 0.00 0.00 178.83 178.80 3dn5 h LYS 94 N 0.12 0.83 -0.26 1.46 1.63 -0.77 -0.41 116.57 119.18 3dn5 h LYS 94 Ca 0.01 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 59.69 3dn5 h LYS 94 Cb 0.86 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.33 3dn5 h LYS 94 CO 0.07 0.69 0.12 1.15 -3.45 0.00 0.00 179.45 178.03 3dn5 h THR 95 N 0.77 0.98 -0.96 1.00 2.02 -0.90 0.14 112.91 115.95 3dn5 h THR 95 Ca 0.19 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.29 3dn5 h THR 95 Cb 0.15 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 3dn5 h THR 95 CO -0.02 0.05 0.63 -0.07 0.37 0.00 0.00 175.52 176.47 3dn5 h LEU 96 N 0.25 1.12 -0.26 2.58 3.38 -0.65 0.08 115.31 121.81 3dn5 h LEU 96 Ca 0.11 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3dn5 h LEU 96 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3dn5 h LEU 96 CO -0.08 0.82 -0.01 -1.28 0.09 0.00 0.00 178.44 177.98 3dn5 h SER 97 N 1.31 0.46 -0.51 -0.43 0.87 -0.72 -0.17 113.55 114.37 3dn5 h SER 97 Ca 0.35 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3dn5 h SER 97 Cb -0.13 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3dn5 h SER 97 CO -0.07 0.67 0.23 0.44 -0.53 0.00 0.00 176.83 177.56 3dn5 h ASP 98 N 0.25 0.68 0.56 6.23 3.32 -0.73 -2.14 116.42 124.58 3dn5 h ASP 98 Ca 0.07 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3dn5 h ASP 98 Cb 0.44 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3dn5 h ASP 98 CO 0.02 0.64 0.00 0.18 -1.72 0.00 0.00 179.24 178.35 3dn5 n LEU 99 N -4.58 0.00 -2.69 1.55 4.77 -0.01 -3.80 117.00 112.24 3dn5 n LEU 99 Ca 0.02 0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 56.16 3dn5 n LEU 99 Cb 0.13 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 3dn5 n LEU 99 CO 0.37 -0.08 -0.06 0.29 -1.33 0.00 0.00 177.39 176.58 3dn5 n LYS 100 N -1.36 -3.86 -4.24 3.23 4.01 -0.23 -4.42 118.16 111.30 3dn5 n LYS 100 Ca 0.09 0.89 -0.23 0.00 -0.51 0.00 0.00 58.31 58.55 3dn5 n LYS 100 Cb 0.21 -5.60 -0.07 0.00 -0.51 0.00 0.00 35.03 29.07 3dn5 n LYS 100 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3dn5 s LEU 101 N -6.15 3.24 0.00 -0.35 1.43 -0.32 -5.00 118.68 111.53 3dn5 s LEU 101 Ca 0.21 -0.67 0.13 0.00 -1.03 0.00 0.00 54.13 52.77 3dn5 s LEU 101 Cb -0.09 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.39 3dn5 s LEU 101 CO 0.26 -0.08 0.75 0.47 0.23 0.00 0.00 176.35 177.98 3dn5 n ASP 102 N -0.98 1.45 -3.56 2.29 8.00 -1.26 -4.55 116.55 117.94 3dn5 n ASP 102 Ca -0.06 -1.23 -0.13 0.00 0.71 0.00 0.00 54.79 54.09 3dn5 n ASP 102 Cb 0.60 0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 42.09 3dn5 n ASP 102 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3dn5 s TYR 103 N -1.59 -0.38 0.02 1.24 -0.85 -1.26 -4.77 117.35 109.76 3dn5 s TYR 103 Ca 0.11 0.29 -0.01 0.00 -0.52 0.00 0.00 57.07 56.94 3dn5 s TYR 103 Cb 0.10 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 3dn5 s TYR 103 CO 0.32 -0.69 0.14 -0.51 -1.52 0.00 0.00 175.55 173.28 3dn5 s LEU 104 N -2.33 4.13 0.22 -3.49 1.43 -0.55 -4.99 118.68 113.10 3dn5 s LEU 104 Ca -0.02 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 3dn5 s LEU 104 Cb -0.00 -2.55 0.16 0.00 0.03 0.00 0.00 46.19 43.84 3dn5 s LEU 104 CO -0.06 0.24 1.50 0.44 0.23 0.00 0.00 176.35 178.69 3dn5 h ASP 105 N 3.70 0.07 -3.39 2.29 3.32 -1.38 -0.45 116.42 120.59 3dn5 h ASP 105 Ca -0.48 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.42 3dn5 h ASP 105 Cb 1.18 -0.02 -0.25 0.00 0.22 0.00 0.00 39.33 40.46 3dn5 h ASP 105 CO 0.68 0.78 -0.23 -0.22 -1.72 0.00 0.00 179.24 178.54 3dn5 s LEU 106 N -7.42 -0.10 -0.09 1.55 2.96 -1.10 -2.59 118.68 111.88 3dn5 s LEU 106 Ca -0.01 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 3dn5 s LEU 106 Cb 0.12 1.54 0.01 0.00 0.50 0.00 0.00 46.19 48.36 3dn5 s LEU 106 CO 0.79 -0.19 -0.14 -0.47 -1.32 0.00 0.00 176.35 175.02 3dn5 s TYR 107 N 1.10 1.71 0.04 5.38 5.04 -0.41 -1.88 117.35 128.33 3dn5 s TYR 107 Ca -0.07 -0.72 0.05 0.00 -2.44 0.00 0.00 57.07 53.89 3dn5 s TYR 107 Cb -0.07 -1.25 -0.03 0.00 0.35 0.00 0.00 41.96 40.96 3dn5 s TYR 107 CO -0.10 -0.37 -0.10 -0.51 -1.34 0.00 0.00 175.55 173.13 3dn5 s LEU 108 N 0.83 3.01 -0.25 6.97 1.43 -0.32 -1.45 118.68 128.91 3dn5 s LEU 108 Ca -0.11 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 3dn5 s LEU 108 Cb -0.15 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 3dn5 s LEU 108 CO 0.01 0.25 1.51 -0.63 0.23 0.00 0.00 176.35 177.73 3dn5 s ILE 109 N -1.04 3.84 0.20 -0.59 1.01 -0.38 -0.23 121.20 124.01 3dn5 s ILE 109 Ca 0.18 0.94 -0.10 0.00 0.00 0.00 0.00 60.65 61.67 3dn5 s ILE 109 Cb -0.11 -3.86 0.13 0.00 0.01 0.00 0.00 42.46 38.63 3dn5 s ILE 109 CO 0.09 -0.37 1.78 -0.74 0.00 0.00 0.00 174.94 175.70 3dn5 h HIS 110 N 10.32 1.06 -3.80 3.97 2.76 -1.70 -1.44 115.15 126.32 3dn5 h HIS 110 Ca -0.31 -0.06 -0.15 0.00 -2.20 0.00 0.00 60.37 57.65 3dn5 h HIS 110 Cb 1.13 -0.33 -0.20 0.00 1.55 0.00 0.00 27.41 29.56 3dn5 h HIS 110 CO 0.90 0.79 -0.61 -1.58 -1.30 0.00 0.00 177.93 176.14 3dn5 s TRP 111 N -5.67 0.18 -0.52 5.26 0.52 -1.25 -4.36 118.94 113.10 3dn5 s TRP 111 Ca -0.13 -0.40 0.23 0.00 0.02 0.00 0.00 56.10 55.82 3dn5 s TRP 111 Cb 0.15 -0.14 0.95 0.00 -1.15 0.00 0.00 33.47 33.28 3dn5 s TRP 111 CO 0.81 -0.25 1.69 -0.35 0.02 0.00 0.00 176.95 178.87 3dn5 n PRO 112 N 1.41 0.18 -2.96 4.98 -0.04 -1.26 -4.70 135.00 132.60 3dn5 n PRO 112 Ca -0.23 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 3dn5 n PRO 112 Cb 0.56 -1.84 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 3dn5 n PRO 112 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3dn5 s THR 113 N -3.29 4.78 0.24 0.52 -4.23 -1.26 -4.75 115.64 107.64 3dn5 s THR 113 Ca 0.04 1.04 -0.28 0.00 -1.18 0.00 0.00 61.69 61.32 3dn5 s THR 113 Cb 0.09 -4.16 -0.09 0.00 1.34 0.00 0.00 72.50 69.68 3dn5 s THR 113 CO 0.38 -0.31 0.89 -0.83 -0.54 0.00 0.00 174.62 174.21 3dn5 s GLY 114 N 1.71 2.99 0.15 3.99 0.00 -1.26 -4.64 107.32 110.25 3dn5 s GLY 114 Ca 0.31 0.52 0.08 0.00 0.00 0.00 0.00 44.72 45.63 3dn5 s GLY 114 CO 0.14 1.04 -0.06 -1.36 0.00 0.00 0.00 173.10 172.86 3dn5 s PHE 115 N -1.27 2.75 0.00 1.90 0.08 0.10 -1.28 117.98 120.26 3dn5 s PHE 115 Ca 0.42 -0.17 -0.38 0.00 0.12 0.00 0.00 56.93 56.92 3dn5 s PHE 115 Cb -0.23 -1.37 -0.17 0.00 -0.57 0.00 0.00 43.02 40.67 3dn5 s PHE 115 CO 0.29 0.49 1.33 1.17 -0.10 0.00 0.00 175.22 178.40 3dn5 n LYS 116 N 0.21 0.85 -2.03 0.44 4.81 -0.12 -4.14 118.16 118.17 3dn5 n LYS 116 Ca -0.11 0.31 -0.37 0.00 -0.87 0.00 0.00 58.31 57.26 3dn5 n LYS 116 Cb 0.54 -1.92 0.02 0.00 0.02 0.00 0.00 35.03 33.70 3dn5 n LYS 116 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3dn5 s PRO 117 N 0.81 3.33 0.00 1.64 0.02 -1.26 -4.76 135.00 134.78 3dn5 s PRO 117 Ca 0.88 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.85 3dn5 s PRO 117 Cb -1.06 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3dn5 s PRO 117 CO 0.52 -0.95 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 3dn5 n GLY 118 N 0.55 -1.61 0.22 0.52 0.00 -1.26 -4.99 105.19 98.62 3dn5 n GLY 118 Ca 0.10 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 3dn5 n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dn5 h LYS 119 N 1.57 0.52 -6.73 1.61 6.56 -1.99 -3.44 116.57 114.66 3dn5 h LYS 119 Ca 0.00 -0.28 -0.52 0.00 -1.06 0.00 0.00 60.65 58.78 3dn5 h LYS 119 Cb 0.00 0.02 0.04 0.00 -0.57 0.00 0.00 32.23 31.72 3dn5 h LYS 119 CO 0.00 0.87 0.67 -1.21 -2.06 0.00 0.00 179.45 177.73 3dn5 s GLU 120 N -4.13 4.36 0.15 3.15 8.01 -1.26 -4.94 118.70 124.03 3dn5 s GLU 120 Ca -0.07 2.14 0.07 0.00 0.01 0.00 0.00 54.97 57.12 3dn5 s GLU 120 Cb 0.12 -3.15 -0.11 0.00 -4.31 0.00 0.00 34.13 26.68 3dn5 s GLU 120 CO 0.82 -0.27 1.34 0.74 0.01 0.00 0.00 175.26 177.90 3dn5 h PHE 121 N 4.94 0.02 -2.73 1.61 0.04 -1.96 -3.37 116.94 115.48 3dn5 h PHE 121 Ca -0.46 -0.01 -0.61 0.00 2.80 0.00 0.00 57.97 59.69 3dn5 h PHE 121 Cb 1.22 -0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.96 3dn5 h PHE 121 CO 0.60 0.94 -0.76 1.19 -0.60 0.00 0.00 178.31 179.69 3dn5 n PHE 122 N -3.44 1.41 -2.18 -0.55 3.72 -1.26 -4.74 117.46 110.42 3dn5 n PHE 122 Ca -0.01 -3.87 -0.42 0.00 -0.05 0.00 0.00 57.45 53.11 3dn5 n PHE 122 Cb 0.88 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 39.16 3dn5 n PHE 122 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3dn5 s PRO 123 N -0.84 4.25 0.21 -1.08 0.04 -1.26 -4.98 135.00 131.34 3dn5 s PRO 123 Ca 0.29 2.01 0.10 0.00 0.04 0.00 0.00 61.00 63.44 3dn5 s PRO 123 Cb 0.00 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 3dn5 s PRO 123 CO -0.18 -0.65 -0.14 -0.51 0.04 0.00 0.00 177.00 175.56 3dn5 s LEU 124 N 2.78 2.78 0.00 -3.56 1.43 -1.26 -0.72 118.68 120.12 3dn5 s LEU 124 Ca 0.65 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3dn5 s LEU 124 Cb -0.32 -1.44 0.06 0.00 0.03 0.00 0.00 46.19 44.52 3dn5 s LEU 124 CO 0.26 0.09 0.35 -0.90 0.23 0.00 0.00 176.35 176.38 3dn5 n ASP 125 N -0.08 0.23 0.15 2.29 5.68 0.00 -4.84 116.55 119.98 3dn5 n ASP 125 Ca -0.10 -1.25 0.12 0.00 -0.50 0.00 0.00 54.79 53.06 3dn5 n ASP 125 Cb 0.57 -0.25 0.54 0.00 -1.14 0.00 0.00 41.12 40.83 3dn5 n ASP 125 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3dn5 h GLU 126 N 0.00 0.00 -0.57 0.11 4.22 -2.01 -2.12 114.58 114.21 3dn5 h GLU 126 Ca -0.11 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.33 3dn5 h GLU 126 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3dn5 h GLU 126 CO 0.10 0.00 0.00 0.43 -2.18 0.00 0.00 179.01 177.36 3dn5 n SER 127 N -2.31 4.47 0.00 1.04 7.64 -1.26 -4.97 113.62 118.22 3dn5 n SER 127 Ca 0.01 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.42 3dn5 n SER 127 Cb 0.19 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 3dn5 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dn5 n GLY 128 N 0.85 1.18 3.79 0.23 0.00 -0.80 -5.04 105.19 105.40 3dn5 n GLY 128 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 3dn5 n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dn5 s ASN 129 N -3.07 7.23 0.48 1.61 0.01 -1.26 -4.74 114.94 115.20 3dn5 s ASN 129 Ca 0.00 1.72 -0.23 0.00 -0.71 0.00 0.00 52.86 53.64 3dn5 s ASN 129 Cb 0.00 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.05 3dn5 s ASN 129 CO 0.00 -0.08 1.20 0.54 -1.51 0.00 0.00 177.10 177.26 3dn5 s VAL 130 N -1.66 2.90 -0.41 1.60 0.11 -0.38 -0.82 120.40 121.75 3dn5 s VAL 130 Ca 0.50 0.68 -0.21 0.00 -2.93 0.00 0.00 61.98 60.02 3dn5 s VAL 130 Cb -0.17 -3.34 0.02 0.00 -1.53 0.00 0.00 36.38 31.35 3dn5 s VAL 130 CO 0.22 -0.01 0.67 -0.69 -3.33 0.00 0.00 175.10 171.96 3dn5 s VAL 131 N -1.50 4.81 0.89 2.04 1.01 0.10 -4.79 120.40 122.96 3dn5 s VAL 131 Ca 0.65 0.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.88 3dn5 s VAL 131 Cb -0.31 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.01 3dn5 s VAL 131 CO 0.37 -0.52 1.12 -2.84 0.00 0.00 0.00 175.10 173.24 3dn5 s PRO 132 N 2.88 1.30 0.27 2.72 0.02 -1.26 -0.95 135.00 139.98 3dn5 s PRO 132 Ca 0.25 0.44 0.08 0.00 0.02 0.00 0.00 61.00 61.79 3dn5 s PRO 132 Cb -0.14 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 3dn5 s PRO 132 CO 0.18 -2.12 0.12 -1.54 -0.33 0.00 0.00 177.00 173.32 3dn5 s SER 133 N -3.89 5.06 -1.34 2.53 1.04 -0.41 -3.36 113.70 113.34 3dn5 s SER 133 Ca 0.63 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 56.51 3dn5 s SER 133 Cb -0.15 -1.10 0.12 0.00 0.10 0.00 0.00 66.02 64.98 3dn5 s SER 133 CO 0.54 -0.07 2.20 -0.67 0.98 0.00 0.00 173.24 176.22 3dn5 n ASP 134 N -1.09 6.45 -4.40 7.02 2.03 -1.26 -4.79 116.55 120.52 3dn5 n ASP 134 Ca -0.06 -3.05 -0.21 0.00 0.52 0.00 0.00 54.79 51.98 3dn5 n ASP 134 Cb 0.59 -1.45 -0.10 0.00 -0.72 0.00 0.00 41.12 39.43 3dn5 n ASP 134 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3dn5 s THR 135 N 0.18 2.08 0.15 5.18 -4.23 -1.26 -5.04 115.64 112.71 3dn5 s THR 135 Ca 0.48 -2.26 0.03 0.00 -1.18 0.00 0.00 61.69 58.77 3dn5 s THR 135 Cb 0.14 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 3dn5 s THR 135 CO -0.05 -0.46 -0.07 0.54 -0.54 0.00 0.00 174.62 174.04 3dn5 s ASN 136 N -3.30 1.60 0.19 3.99 4.22 -1.26 -4.79 114.94 115.59 3dn5 s ASN 136 Ca 0.25 -1.06 -0.12 0.00 -2.14 0.00 0.00 52.86 49.80 3dn5 s ASN 136 Cb -0.03 0.03 0.13 0.00 1.28 0.00 0.00 41.25 42.66 3dn5 s ASN 136 CO 0.10 -0.41 1.85 0.40 -2.04 0.00 0.00 177.10 177.01 3dn5 h ILE 137 N 2.77 1.13 -0.51 0.54 2.04 -1.99 -2.47 117.51 119.03 3dn5 h ILE 137 Ca -0.36 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.09 3dn5 h ILE 137 Cb 1.19 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3dn5 h ILE 137 CO 0.64 0.15 -0.14 -0.07 0.00 0.00 0.00 178.15 178.74 3dn5 h LEU 138 N 0.84 1.00 -0.49 1.44 3.38 -1.97 0.94 115.31 120.45 3dn5 h LEU 138 Ca 0.25 -0.37 -0.17 0.00 0.09 0.00 0.00 57.88 57.68 3dn5 h LEU 138 Cb -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3dn5 h LEU 138 CO -0.07 1.13 -0.62 0.44 0.09 0.00 0.00 178.44 179.41 3dn5 h ASP 139 N 0.85 0.53 -0.65 -0.43 3.32 -1.95 -1.54 116.42 116.55 3dn5 h ASP 139 Ca 0.13 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 3dn5 h ASP 139 Cb 0.70 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3dn5 h ASP 139 CO 0.05 1.02 0.23 0.74 -1.72 0.00 0.00 179.24 179.56 3dn5 h THR 140 N 0.34 1.24 -0.72 0.35 2.02 -1.26 -2.24 112.91 112.64 3dn5 h THR 140 Ca -0.01 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.37 3dn5 h THR 140 Cb 1.17 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 3dn5 h THR 140 CO 0.11 0.31 0.46 -0.25 0.37 0.00 0.00 175.52 176.52 3dn5 h TRP 141 N 0.93 0.93 -0.97 3.16 2.91 -0.42 -1.44 115.95 121.03 3dn5 h TRP 141 Ca 0.21 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.29 3dn5 h TRP 141 Cb 0.25 -0.31 -0.06 0.00 -0.51 0.00 0.00 29.16 28.54 3dn5 h TRP 141 CO 0.02 0.61 0.64 0.00 -1.03 0.00 0.00 178.44 178.67 3dn5 h ALA 142 N 1.25 1.39 -0.36 2.65 0.00 -1.05 0.24 119.26 123.38 3dn5 h ALA 142 Ca 0.26 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3dn5 h ALA 142 Cb -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3dn5 h ALA 142 CO -0.05 0.50 -0.18 0.00 0.00 0.00 0.00 179.25 179.51 3dn5 h ALA 143 N 1.45 1.00 -0.81 0.00 0.00 -0.78 -2.55 119.26 117.57 3dn5 h ALA 143 Ca 0.40 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3dn5 h ALA 143 Cb 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3dn5 h ALA 143 CO -0.13 0.59 0.40 0.52 0.00 0.00 0.00 179.25 180.63 3dn5 h MET 144 N 0.61 1.16 -0.98 0.00 2.07 -0.18 -2.81 114.93 114.80 3dn5 h MET 144 Ca 0.09 -0.16 0.07 0.00 -2.07 0.00 0.00 59.70 57.63 3dn5 h MET 144 Cb 0.65 -0.21 -0.07 0.00 -1.87 0.00 0.00 31.60 30.10 3dn5 h MET 144 CO 0.05 0.88 0.63 0.93 1.07 0.00 0.00 176.91 180.47 3dn5 h GLU 145 N 1.14 1.10 -0.05 1.72 5.08 -0.65 -0.84 114.58 122.09 3dn5 h GLU 145 Ca 0.28 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3dn5 h GLU 145 Cb 0.10 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3dn5 h GLU 145 CO -0.04 0.73 -0.07 0.93 -1.00 0.00 0.00 179.01 179.56 3dn5 h GLU 146 N 1.13 0.08 -0.40 2.33 4.39 -1.19 -1.90 114.58 119.02 3dn5 h GLU 146 Ca 0.42 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 60.04 3dn5 h GLU 146 Cb 0.18 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3dn5 h GLU 146 CO -0.17 0.16 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.74 3dn5 h LEU 147 N 0.08 0.62 -0.16 1.33 3.38 -1.12 -1.23 115.31 118.21 3dn5 h LEU 147 Ca 0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3dn5 h LEU 147 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3dn5 h LEU 147 CO 0.01 0.72 0.00 0.58 0.09 0.00 0.00 178.44 179.84 3dn5 h VAL 148 N 0.61 1.25 0.00 1.22 2.07 -1.36 -1.36 116.25 118.68 3dn5 h VAL 148 Ca 0.12 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3dn5 h VAL 148 Cb 0.44 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3dn5 h VAL 148 CO 0.02 0.25 0.00 0.47 0.02 0.00 0.00 177.57 178.33 3dn5 n ASP 149 N -4.74 0.71 -0.69 0.57 8.00 -0.78 -1.51 116.55 118.11 3dn5 n ASP 149 Ca -0.05 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.24 3dn5 n ASP 149 Cb 0.21 -0.82 0.19 0.00 -0.02 0.00 0.00 41.12 40.68 3dn5 n ASP 149 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dn5 n GLU 150 N -2.28 1.81 -0.88 -1.24 1.02 -0.53 -4.98 120.64 113.56 3dn5 n GLU 150 Ca 0.02 -1.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.77 3dn5 n GLU 150 Cb 0.24 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3dn5 n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dn5 n GLY 151 N 1.33 0.56 0.11 0.62 0.00 -0.57 -4.91 105.19 102.34 3dn5 n GLY 151 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 3dn5 n GLY 151 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dn5 h LEU 152 N 0.00 0.00 -7.87 0.99 4.07 -1.49 -3.45 115.31 107.56 3dn5 h LEU 152 Ca 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.77 3dn5 h LEU 152 Cb 0.00 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 41.51 3dn5 h LEU 152 CO 0.00 0.72 -0.69 0.68 -1.08 0.00 0.00 178.44 178.07 3dn5 s VAL 153 N -3.10 0.07 -0.16 1.22 -7.23 -1.16 -1.48 120.40 108.55 3dn5 s VAL 153 Ca 0.01 -0.57 0.18 0.00 -1.81 0.00 0.00 61.98 59.79 3dn5 s VAL 153 Cb 0.10 -0.19 -0.05 0.00 0.56 0.00 0.00 36.38 36.80 3dn5 s VAL 153 CO 0.77 -0.31 1.02 0.11 -0.31 0.00 0.00 175.10 176.38 3dn5 h LYS 154 N 5.16 0.00 -2.72 4.82 1.57 -1.20 -3.37 116.57 120.83 3dn5 h LYS 154 Ca -0.29 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 3dn5 h LYS 154 Cb 1.21 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.32 3dn5 h LYS 154 CO 0.44 0.25 -0.14 0.00 -0.57 0.00 0.00 179.45 179.44 3dn5 s ALA 155 N -3.04 -1.08 0.15 3.86 0.00 -1.07 -4.97 121.76 115.60 3dn5 s ALA 155 Ca -0.01 0.67 0.08 0.00 0.00 0.00 0.00 51.96 52.70 3dn5 s ALA 155 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3dn5 s ALA 155 CO 0.79 -0.29 -0.18 0.96 0.00 0.00 0.00 175.76 177.05 3dn5 s ILE 156 N -1.19 1.68 0.02 0.00 -4.36 -1.26 -1.29 121.20 114.80 3dn5 s ILE 156 Ca -0.12 -1.81 -0.01 0.00 -0.26 0.00 0.00 60.65 58.45 3dn5 s ILE 156 Cb -0.04 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.95 3dn5 s ILE 156 CO 0.06 -0.31 0.05 0.61 0.24 0.00 0.00 174.94 175.59 3dn5 n GLY 157 N 0.46 2.02 3.35 6.27 0.00 -0.53 -0.92 105.19 115.85 3dn5 n GLY 157 Ca -0.15 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 3dn5 n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dn5 s ILE 158 N -2.91 0.93 -0.09 -0.61 -4.36 -0.31 -1.24 121.20 112.60 3dn5 s ILE 158 Ca 0.01 -2.01 -0.08 0.00 -0.26 0.00 0.00 60.65 58.31 3dn5 s ILE 158 Cb -0.00 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 41.21 3dn5 s ILE 158 CO 0.01 -0.17 0.24 -0.55 0.24 0.00 0.00 174.94 174.71 3dn5 s SER 159 N -3.34 -0.25 -1.76 4.36 0.15 -0.54 -1.14 113.70 111.18 3dn5 s SER 159 Ca 0.33 0.48 -0.01 0.00 0.70 0.00 0.00 55.95 57.45 3dn5 s SER 159 Cb 0.07 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3dn5 s SER 159 CO 0.11 -0.09 0.10 0.59 1.20 0.00 0.00 173.24 175.16 3dn5 n ASN 160 N 3.01 -5.98 -4.77 5.45 3.02 -0.36 -3.93 115.26 111.70 3dn5 n ASN 160 Ca -0.13 -0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 53.98 3dn5 n ASN 160 Cb 0.58 -4.95 -0.06 0.00 -0.61 0.00 0.00 39.78 34.74 3dn5 n ASN 160 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3dn5 s PHE 161 N -3.07 3.61 0.79 3.10 0.40 -1.26 -4.48 117.98 117.07 3dn5 s PHE 161 Ca 0.05 0.92 -0.12 0.00 -0.60 0.00 0.00 56.93 57.18 3dn5 s PHE 161 Cb -0.02 -2.43 0.07 0.00 0.51 0.00 0.00 43.02 41.15 3dn5 s PHE 161 CO 0.06 0.38 1.16 0.54 0.70 0.00 0.00 175.22 178.06 3dn5 s ASN 162 N -0.13 4.66 0.42 1.36 2.20 -1.26 -4.79 114.94 117.40 3dn5 s ASN 162 Ca 0.24 0.83 0.13 0.00 -0.94 0.00 0.00 52.86 53.12 3dn5 s ASN 162 Cb -0.16 -1.37 0.90 0.00 -2.00 0.00 0.00 41.25 38.61 3dn5 s ASN 162 CO 0.11 -1.81 1.94 1.12 -2.94 0.00 0.00 177.10 175.52 3dn5 h HIS 163 N -0.99 0.06 -0.13 1.54 2.07 -1.91 -0.38 115.15 115.41 3dn5 h HIS 163 Ca -0.46 -0.01 -0.14 0.00 -2.85 0.00 0.00 60.37 56.92 3dn5 h HIS 163 Cb 1.32 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 31.27 3dn5 h HIS 163 CO 0.34 0.26 -0.52 -0.07 -3.07 0.00 0.00 177.93 174.88 3dn5 h LEU 164 N 0.05 0.38 -0.38 6.12 3.38 -1.94 -0.27 115.31 122.66 3dn5 h LEU 164 Ca 0.01 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 3dn5 h LEU 164 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dn5 h LEU 164 CO 0.03 0.83 -0.35 1.56 0.09 0.00 0.00 178.44 180.60 3dn5 h GLN 165 N 0.27 0.91 -0.41 1.13 4.20 -1.68 -1.44 115.11 118.09 3dn5 h GLN 165 Ca 0.01 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3dn5 h GLN 165 Cb 1.00 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 3dn5 h GLN 165 CO 0.09 1.12 0.26 0.28 -0.67 0.00 0.00 178.83 179.91 3dn5 h VAL 166 N 0.72 1.12 -0.67 -0.54 2.07 -0.97 -2.74 116.25 115.24 3dn5 h VAL 166 Ca 0.06 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3dn5 h VAL 166 Cb 0.94 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3dn5 h VAL 166 CO 0.09 0.12 0.45 -0.08 0.02 0.00 0.00 177.57 178.16 3dn5 h GLU 167 N 0.55 0.52 -0.42 1.57 4.81 -0.79 -1.23 114.58 119.60 3dn5 h GLU 167 Ca 0.15 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3dn5 h GLU 167 Cb -0.03 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3dn5 h GLU 167 CO -0.03 0.35 0.25 0.52 -0.73 0.00 0.00 179.01 179.36 3dn5 h MET 168 N 0.54 0.57 -0.14 1.92 2.86 -0.96 0.04 114.93 119.76 3dn5 h MET 168 Ca 0.31 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 3dn5 h MET 168 Cb 0.49 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3dn5 h MET 168 CO -0.10 0.43 0.01 0.82 1.06 0.00 0.00 176.91 179.13 3dn5 h ILE 169 N 0.55 1.23 -0.68 -1.22 2.04 -1.34 -2.64 117.51 115.45 3dn5 h ILE 169 Ca 0.15 -0.75 0.10 0.00 1.00 0.00 0.00 64.86 65.36 3dn5 h ILE 169 Cb 0.01 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3dn5 h ILE 169 CO -0.03 0.22 0.45 -0.07 0.00 0.00 0.00 178.15 178.72 3dn5 h LEU 170 N -0.00 0.46 -1.83 1.44 3.38 -0.74 -0.98 115.31 117.04 3dn5 h LEU 170 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dn5 h LEU 170 Cb 0.32 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3dn5 h LEU 170 CO 0.00 0.27 0.00 0.59 0.09 0.00 0.00 178.44 179.40 3dn5 n ASN 171 N -4.48 2.71 -4.70 -0.43 3.02 -0.04 -4.94 115.26 106.39 3dn5 n ASN 171 Ca 0.11 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.34 3dn5 n ASN 171 Cb 0.37 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 3dn5 n ASN 171 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3dn5 s LYS 172 N -1.53 4.15 0.21 3.52 2.20 -0.37 -4.92 119.74 123.00 3dn5 s LYS 172 Ca 0.36 2.55 -0.32 0.00 -0.36 0.00 0.00 55.97 58.20 3dn5 s LYS 172 Cb 0.20 -3.39 -0.13 0.00 -1.51 0.00 0.00 37.83 33.00 3dn5 s LYS 172 CO 0.28 -0.78 1.50 -2.30 -0.36 0.00 0.00 175.35 173.69 3dn5 n PRO 173 N 4.97 2.18 -1.27 4.03 -0.02 -1.26 -2.17 135.00 141.45 3dn5 n PRO 173 Ca 0.17 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.33 3dn5 n PRO 173 Cb 0.37 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 3dn5 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dn5 n GLY 174 N 2.70 1.09 3.55 -1.23 0.00 -1.26 -4.96 105.19 105.08 3dn5 n GLY 174 Ca 0.13 -0.48 -0.51 0.00 0.00 0.00 0.00 46.02 45.16 3dn5 n GLY 174 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dn5 n LEU 175 N -1.07 1.03 -0.10 0.99 7.94 -0.92 -4.92 117.00 119.95 3dn5 n LEU 175 Ca -0.09 1.14 -0.17 0.00 -1.11 0.00 0.00 56.01 55.78 3dn5 n LEU 175 Cb 0.34 -1.14 -0.09 0.00 0.53 0.00 0.00 43.42 43.06 3dn5 n LEU 175 CO 0.14 -1.53 -1.18 0.29 -1.11 0.00 0.00 177.39 174.00 3dn5 n LYS 176 N 1.71 0.48 -4.61 1.96 5.02 -1.26 -4.97 118.16 116.49 3dn5 n LYS 176 Ca 0.16 0.14 -0.26 0.00 -2.02 0.00 0.00 58.31 56.33 3dn5 n LYS 176 Cb 0.22 -1.35 -0.17 0.00 -0.02 0.00 0.00 35.03 33.70 3dn5 n LYS 176 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3dn5 s TYR 177 N -2.40 1.69 0.58 2.13 2.02 -1.26 -5.14 117.35 114.97 3dn5 s TYR 177 Ca -0.28 -0.68 -0.18 0.00 -0.37 0.00 0.00 57.07 55.57 3dn5 s TYR 177 Cb 0.08 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 3dn5 s TYR 177 CO 0.43 -0.34 1.11 0.15 -1.57 0.00 0.00 175.55 175.33 3dn5 s LYS 178 N 0.73 3.24 0.32 -0.62 1.02 -1.26 -4.98 119.74 118.18 3dn5 s LYS 178 Ca -0.13 1.48 -0.29 0.00 0.02 0.00 0.00 55.97 57.05 3dn5 s LYS 178 Cb -0.16 -2.00 -0.11 0.00 -0.52 0.00 0.00 37.83 35.04 3dn5 s LYS 178 CO 0.03 -0.92 1.57 -2.14 -0.92 0.00 0.00 175.35 172.97 3dn5 s PRO 179 N -3.59 4.12 0.02 -1.68 0.02 -1.26 -4.84 135.00 127.79 3dn5 s PRO 179 Ca 0.70 2.58 0.11 0.00 0.02 0.00 0.00 61.00 64.40 3dn5 s PRO 179 Cb -0.21 -3.01 -0.22 0.00 0.02 0.00 0.00 34.50 31.08 3dn5 s PRO 179 CO 0.31 -0.61 0.91 0.00 -0.33 0.00 0.00 177.00 177.29 3dn5 h ALA 180 N 4.35 0.61 -3.27 -1.55 0.00 -1.39 -3.44 119.26 114.58 3dn5 h ALA 180 Ca -0.48 -1.24 -0.19 0.00 0.00 0.00 0.00 54.91 53.01 3dn5 h ALA 180 Cb 1.23 0.23 -0.25 0.00 0.00 0.00 0.00 17.79 19.00 3dn5 h ALA 180 CO 0.75 1.44 -0.57 0.08 0.00 0.00 0.00 179.25 180.96 3dn5 s VAL 181 N -2.65 0.03 -0.22 0.00 1.01 -1.26 -1.39 120.40 115.93 3dn5 s VAL 181 Ca -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.76 3dn5 s VAL 181 Cb 0.09 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 36.27 3dn5 s VAL 181 CO 0.82 -0.12 -0.16 0.21 0.00 0.00 0.00 175.10 175.86 3dn5 s ASN 182 N -0.35 3.74 -0.27 3.32 3.04 -0.38 -1.16 114.94 122.89 3dn5 s ASN 182 Ca -0.04 -1.00 -0.14 0.00 0.04 0.00 0.00 52.86 51.71 3dn5 s ASN 182 Cb -0.03 -1.50 -0.04 0.00 -1.54 0.00 0.00 41.25 38.14 3dn5 s ASN 182 CO 0.00 -0.09 0.34 -1.58 -3.04 0.00 0.00 177.10 172.74 3dn5 s GLN 183 N 1.21 4.02 0.09 0.43 0.74 -0.29 -2.27 119.66 123.58 3dn5 s GLN 183 Ca -0.02 -0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.41 3dn5 s GLN 183 Cb -0.16 -3.64 -0.04 0.00 1.10 0.00 0.00 33.01 30.26 3dn5 s GLN 183 CO -0.09 -0.24 -0.07 0.96 -0.55 0.00 0.00 175.29 175.30 3dn5 s ILE 184 N 1.94 0.68 0.26 -2.34 -4.36 0.16 -1.23 121.20 116.31 3dn5 s ILE 184 Ca 0.14 -1.77 -0.30 0.00 -0.26 0.00 0.00 60.65 58.46 3dn5 s ILE 184 Cb -0.16 -1.48 -0.10 0.00 1.25 0.00 0.00 42.46 41.97 3dn5 s ILE 184 CO 0.10 -0.77 1.41 -0.70 0.24 0.00 0.00 174.94 175.21 3dn5 s GLU 185 N -3.39 4.29 -0.28 0.37 2.12 -1.26 -0.82 118.70 119.72 3dn5 s GLU 185 Ca 0.08 2.27 -0.15 0.00 0.36 0.00 0.00 54.97 57.53 3dn5 s GLU 185 Cb 0.02 -3.11 0.09 0.00 0.26 0.00 0.00 34.13 31.39 3dn5 s GLU 185 CO -0.04 -0.37 0.71 0.00 -0.54 0.00 0.00 175.26 175.02 3dn5 s HIS 187 N 1.82 -0.02 0.66 0.00 -3.43 -0.85 -4.28 115.29 109.18 3dn5 s HIS 187 Ca -0.09 -0.36 0.36 0.00 -0.80 0.00 0.00 55.06 54.16 3dn5 s HIS 187 Cb -0.06 0.69 1.96 0.00 -1.43 0.00 0.00 32.58 33.74 3dn5 s HIS 187 CO -0.19 -0.95 2.13 -1.35 -2.00 0.00 0.00 174.74 172.38 3dn5 h PRO 188 N 2.00 0.00 -0.01 -0.38 0.11 -1.87 -0.53 132.00 131.32 3dn5 h PRO 188 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3dn5 h PRO 188 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dn5 h PRO 188 CO 0.31 0.00 -0.26 0.66 -0.21 0.00 0.00 178.00 178.50 3dn5 n TYR 189 N -3.11 0.00 -3.07 0.65 4.01 -1.26 -1.62 117.16 112.76 3dn5 n TYR 189 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 3dn5 n TYR 189 Cb 0.25 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 3dn5 n TYR 189 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3dn5 n LEU 190 N -0.47 -1.87 0.07 7.72 7.94 -0.22 -0.55 117.00 129.62 3dn5 n LEU 190 Ca 0.12 -3.71 0.13 0.00 -1.11 0.00 0.00 56.01 51.44 3dn5 n LEU 190 Cb 0.37 0.66 0.39 0.00 0.53 0.00 0.00 43.42 45.37 3dn5 n LEU 190 CO 0.25 1.91 0.76 0.35 -1.11 0.00 0.00 177.39 179.56 3dn5 n THR 191 N 2.73 0.38 -3.71 1.96 -2.24 -1.14 -2.01 114.28 110.24 3dn5 n THR 191 Ca 0.23 -0.20 -0.26 0.00 -2.27 0.00 0.00 64.05 61.55 3dn5 n THR 191 Cb 0.53 -0.41 0.06 0.00 -2.10 0.00 0.00 70.33 68.40 3dn5 n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dn5 n GLN 192 N -2.01 -7.06 -0.18 -0.78 1.13 -1.26 -4.86 117.38 102.35 3dn5 n GLN 192 Ca 0.05 0.74 -0.07 0.00 -1.94 0.00 0.00 57.00 55.79 3dn5 n GLN 192 Cb 0.41 -5.74 0.02 0.00 0.11 0.00 0.00 30.24 25.04 3dn5 n GLN 192 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3dn5 h GLU 193 N -2.47 0.71 -0.15 -1.09 5.08 -1.99 -0.90 114.58 113.76 3dn5 h GLU 193 Ca -0.57 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 57.51 3dn5 h GLU 193 Cb 1.37 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.48 3dn5 h GLU 193 CO 0.60 0.49 -0.79 0.87 -1.00 0.00 0.00 179.01 179.19 3dn5 h LYS 194 N 0.72 0.80 -0.21 2.33 1.57 -1.98 -1.10 116.57 118.70 3dn5 h LYS 194 Ca 0.19 -0.66 -0.16 0.00 -1.87 0.00 0.00 60.65 58.16 3dn5 h LYS 194 Cb -0.05 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3dn5 h LYS 194 CO -0.04 1.26 -0.52 1.25 -0.57 0.00 0.00 179.45 180.83 3dn5 h LEU 195 N 0.54 0.65 -0.55 2.94 5.85 -1.93 -0.77 115.31 122.04 3dn5 h LEU 195 Ca -0.05 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 3dn5 h LEU 195 Cb 1.42 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3dn5 h LEU 195 CO 0.16 1.06 0.31 0.40 -0.34 0.00 0.00 178.44 180.03 3dn5 h ILE 196 N 0.46 1.18 -0.63 4.05 2.04 -1.13 -0.40 117.51 123.08 3dn5 h ILE 196 Ca 0.01 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.46 3dn5 h ILE 196 Cb 1.07 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 3dn5 h ILE 196 CO 0.10 0.19 0.38 -0.61 0.00 0.00 0.00 178.15 178.21 3dn5 h GLN 197 N 0.74 0.72 0.41 2.37 -0.00 -0.90 0.25 115.11 118.70 3dn5 h GLN 197 Ca 0.19 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.78 3dn5 h GLN 197 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.36 3dn5 h GLN 197 CO -0.03 0.47 -0.20 -0.92 0.00 0.00 0.00 178.83 178.15 3dn5 h TYR 198 N 0.74 -0.51 -0.14 3.99 3.20 -0.86 -1.16 116.97 122.22 3dn5 h TYR 198 Ca 0.26 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3dn5 h TYR 198 Cb 0.05 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3dn5 h TYR 198 CO -0.06 -0.29 0.08 0.00 -1.64 0.00 0.00 178.16 176.26 3dn5 h GLN 200 N 0.17 0.31 0.00 0.00 4.20 -0.91 -1.34 115.11 117.55 3dn5 h GLN 200 Ca 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3dn5 h GLN 200 Cb -0.01 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3dn5 h GLN 200 CO -0.02 0.32 0.00 0.66 -0.67 0.00 0.00 178.83 179.12 3dn5 h SER 201 N 0.30 0.00 -0.74 1.46 4.64 -0.73 -2.30 113.55 116.18 3dn5 h SER 201 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3dn5 h SER 201 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3dn5 h SER 201 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3dn5 n LYS 202 N -2.98 2.78 -2.08 4.77 4.76 -0.60 -4.96 118.16 119.85 3dn5 n LYS 202 Ca 0.01 -2.69 -0.12 0.00 -2.87 0.00 0.00 58.31 52.65 3dn5 n LYS 202 Cb 0.33 -1.59 -0.01 0.00 -1.84 0.00 0.00 35.03 31.92 3dn5 n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dn5 n GLY 203 N 1.65 0.12 3.57 0.72 0.00 -0.87 -5.00 105.19 105.37 3dn5 n GLY 203 Ca 0.25 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3dn5 n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dn5 s ILE 204 N -2.57 4.67 0.25 -0.61 1.01 -0.64 -4.69 121.20 118.63 3dn5 s ILE 204 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 3dn5 s ILE 204 Cb 0.00 -3.14 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 3dn5 s ILE 204 CO 0.00 0.40 0.95 -0.69 0.00 0.00 0.00 174.94 175.59 3dn5 s VAL 205 N 0.91 4.07 -0.16 2.92 1.01 -0.48 -3.73 120.40 124.94 3dn5 s VAL 205 Ca 0.04 2.03 -0.07 0.00 0.00 0.00 0.00 61.98 63.99 3dn5 s VAL 205 Cb -0.14 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3dn5 s VAL 205 CO 0.03 0.44 0.06 -0.69 0.00 0.00 0.00 175.10 174.94 3dn5 s VAL 206 N -1.24 4.77 -0.16 2.92 1.01 -1.26 -1.25 120.40 125.19 3dn5 s VAL 206 Ca 0.42 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 3dn5 s VAL 206 Cb -0.25 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3dn5 s VAL 206 CO 0.31 0.49 0.00 -0.89 0.00 0.00 0.00 175.10 175.02 3dn5 s THR 207 N 0.08 4.26 -0.30 3.92 2.01 -0.96 -1.46 115.64 123.19 3dn5 s THR 207 Ca 0.05 -0.23 -0.18 0.00 0.31 0.00 0.00 61.69 61.65 3dn5 s THR 207 Cb -0.12 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 3dn5 s THR 207 CO 0.01 0.49 0.50 0.00 -0.69 0.00 0.00 174.62 174.92 3dn5 s ALA 208 N 0.29 3.54 0.37 7.40 0.00 0.11 -0.67 121.76 132.80 3dn5 s ALA 208 Ca -0.01 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.23 3dn5 s ALA 208 Cb -0.13 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 3dn5 s ALA 208 CO 0.02 -0.93 0.45 1.52 0.00 0.00 0.00 175.76 176.82 3dn5 s TYR 209 N 2.32 2.94 -1.43 0.00 -0.85 -0.00 -2.98 117.35 117.35 3dn5 s TYR 209 Ca 0.19 -0.32 -0.05 0.00 -0.52 0.00 0.00 57.07 56.38 3dn5 s TYR 209 Cb -0.16 -2.08 0.00 0.00 0.38 0.00 0.00 41.96 40.11 3dn5 s TYR 209 CO 0.11 -0.09 0.30 0.43 -1.52 0.00 0.00 175.55 174.78 3dn5 n SER 210 N -1.63 -0.47 0.23 -0.18 7.64 -1.26 -1.81 113.62 116.14 3dn5 n SER 210 Ca 0.02 -1.14 0.16 0.00 1.01 0.00 0.00 58.87 58.92 3dn5 n SER 210 Cb 0.59 -2.36 0.65 0.00 -1.01 0.00 0.00 64.21 62.08 3dn5 n SER 210 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3dn5 h PRO 211 N -1.90 0.00 -0.32 1.43 0.13 -1.80 -0.97 132.00 128.56 3dn5 h PRO 211 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3dn5 h PRO 211 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3dn5 h PRO 211 CO 0.64 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.69 3dn5 n LEU 212 N -2.82 3.00 0.00 1.56 4.77 -1.26 -4.80 117.00 117.46 3dn5 n LEU 212 Ca 0.01 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 3dn5 n LEU 212 Cb 0.27 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3dn5 n LEU 212 CO 0.24 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3dn5 n GLY 213 N 1.41 0.53 3.87 -0.72 0.00 -0.37 -4.24 105.19 105.66 3dn5 n GLY 213 Ca 0.18 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3dn5 n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dn5 n SER 214 N 0.42 -4.25 0.34 1.61 2.88 -1.26 -4.81 113.62 108.55 3dn5 n SER 214 Ca 0.00 -1.13 0.22 0.00 -1.33 0.00 0.00 58.87 56.64 3dn5 n SER 214 Cb 0.00 -2.69 1.18 0.00 -0.75 0.00 0.00 64.21 61.95 3dn5 n SER 214 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3dn5 h PRO 215 N -2.15 0.00 -0.47 -1.46 0.13 -1.98 -1.28 132.00 124.79 3dn5 h PRO 215 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3dn5 h PRO 215 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3dn5 h PRO 215 CO 0.51 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.88 3dn5 n ASP 216 N -3.06 2.87 -4.71 1.44 5.75 -1.26 -4.95 116.55 112.63 3dn5 n ASP 216 Ca -0.03 -1.96 -0.43 0.00 -0.01 0.00 0.00 54.79 52.36 3dn5 n ASP 216 Cb 0.10 -0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 39.87 3dn5 n ASP 216 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3dn5 n ARG 217 N 1.08 2.35 0.00 0.11 1.85 -0.48 -4.85 116.66 116.72 3dn5 n ARG 217 Ca 0.18 0.84 0.07 0.00 -1.00 0.00 0.00 57.85 57.94 3dn5 n ARG 217 Cb 0.47 -2.54 0.33 0.00 -1.05 0.00 0.00 32.46 29.68 3dn5 n ARG 217 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3dn5 n PRO 218 N 1.85 0.05 -0.33 2.89 -0.04 -1.26 -2.58 135.00 135.58 3dn5 n PRO 218 Ca 0.09 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 3dn5 n PRO 218 Cb 0.34 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.52 3dn5 n PRO 218 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3dn5 n TRP 219 N -1.45 0.68 -1.64 0.54 2.14 -1.26 -5.02 117.44 111.42 3dn5 n TRP 219 Ca 0.04 -0.83 -0.42 0.00 2.07 0.00 0.00 57.50 58.37 3dn5 n TRP 219 Cb 0.16 -0.24 0.01 0.00 -0.81 0.00 0.00 31.31 30.43 3dn5 n TRP 219 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3dn5 n ALA 220 N -0.52 0.57 -2.48 -1.67 0.00 -1.07 -5.02 120.51 110.32 3dn5 n ALA 220 Ca 0.18 0.27 -0.26 0.00 0.00 0.00 0.00 53.44 53.64 3dn5 n ALA 220 Cb 0.76 -2.14 -0.14 0.00 0.00 0.00 0.00 19.45 17.93 3dn5 n ALA 220 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dn5 s LYS 221 N -2.00 1.35 0.45 0.00 1.02 -1.26 -5.03 119.74 114.27 3dn5 s LYS 221 Ca 0.61 -1.03 0.14 0.00 0.02 0.00 0.00 55.97 55.72 3dn5 s LYS 221 Cb -0.56 -1.53 1.08 0.00 -0.52 0.00 0.00 37.83 36.30 3dn5 s LYS 221 CO 0.58 0.38 2.02 -1.35 -0.92 0.00 0.00 175.35 176.06 3dn5 h PRO 222 N 4.62 0.32 0.00 -1.68 0.10 -2.02 -0.57 132.00 132.76 3dn5 h PRO 222 Ca -0.44 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.64 3dn5 h PRO 222 Cb 1.16 -0.07 0.00 0.00 0.10 0.00 0.00 31.00 32.19 3dn5 h PRO 222 CO 0.42 0.21 0.00 0.93 0.10 0.00 0.00 178.00 179.67 3dn5 h GLU 223 N 0.33 0.00 -7.08 1.05 3.07 -2.02 -3.46 114.58 106.47 3dn5 h GLU 223 Ca 0.21 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.56 3dn5 h GLU 223 Cb 0.42 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.42 3dn5 h GLU 223 CO -0.05 0.00 0.47 -0.51 -1.40 0.00 0.00 179.01 177.52 3dn5 s ASP 224 N -4.92 5.50 0.41 1.42 1.01 -0.22 -4.96 116.67 114.90 3dn5 s ASP 224 Ca 0.03 2.32 -0.26 0.00 0.71 0.00 0.00 52.55 55.35 3dn5 s ASP 224 Cb 0.09 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 3dn5 s ASP 224 CO 0.47 -1.38 1.38 -2.16 0.21 0.00 0.00 175.17 173.69 3dn5 s PRO 225 N -3.22 3.93 -0.29 8.23 0.04 -1.26 -5.00 135.00 137.44 3dn5 s PRO 225 Ca 0.74 2.33 0.02 0.00 0.04 0.00 0.00 61.00 64.13 3dn5 s PRO 225 Cb -0.28 -2.79 0.08 0.00 0.04 0.00 0.00 34.50 31.54 3dn5 s PRO 225 CO 0.32 -0.58 -0.01 0.45 0.04 0.00 0.00 177.00 177.22 3dn5 s SER 226 N -0.52 4.34 0.15 6.66 0.15 -1.26 -5.02 113.70 118.20 3dn5 s SER 226 Ca 0.57 -1.65 -0.15 0.00 0.70 0.00 0.00 55.95 55.42 3dn5 s SER 226 Cb -0.42 -1.38 0.02 0.00 -1.71 0.00 0.00 66.02 62.53 3dn5 s SER 226 CO 0.54 -0.30 1.72 -0.07 1.20 0.00 0.00 173.24 176.33 3dn5 h LEU 227 N 7.81 0.59 -1.86 3.45 3.38 -1.91 -1.97 115.31 124.79 3dn5 h LEU 227 Ca -0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3dn5 h LEU 227 Cb 1.04 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3dn5 h LEU 227 CO 0.47 0.56 -0.11 -0.07 0.09 0.00 0.00 178.44 179.38 3dn5 h LEU 228 N 0.58 0.00 -2.96 1.67 3.38 -1.96 -2.30 115.31 113.72 3dn5 h LEU 228 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dn5 h LEU 228 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3dn5 h LEU 228 CO -0.02 0.11 0.00 -0.62 0.09 0.00 0.00 178.44 178.01 3dn5 n GLU 229 N -3.54 3.01 -1.91 1.13 -0.58 -1.01 -4.87 120.64 112.87 3dn5 n GLU 229 Ca -0.01 -2.42 -0.43 0.00 -0.42 0.00 0.00 57.16 53.88 3dn5 n GLU 229 Cb 0.25 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 3dn5 n GLU 229 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3dn5 s ASP 230 N -1.12 6.23 0.56 1.62 -1.08 -0.77 -4.88 116.67 117.22 3dn5 s ASP 230 Ca 0.35 1.95 0.27 0.00 -0.52 0.00 0.00 52.55 54.60 3dn5 s ASP 230 Cb 0.21 -2.53 1.61 0.00 -1.46 0.00 0.00 42.92 40.76 3dn5 s ASP 230 CO 0.20 -1.33 2.18 1.55 0.52 0.00 0.00 175.17 178.28 3dn5 h PRO 231 N 11.48 0.00 -0.47 4.34 0.13 -1.91 -1.21 132.00 144.36 3dn5 h PRO 231 Ca -0.39 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.62 3dn5 h PRO 231 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3dn5 h PRO 231 CO 0.98 0.05 -0.16 0.00 -0.23 0.00 0.00 178.00 178.63 3dn5 h ARG 232 N 0.00 0.94 -0.10 0.86 3.08 -1.97 -1.77 114.38 115.42 3dn5 h ARG 232 Ca -0.00 -0.38 -0.21 0.00 0.07 0.00 0.00 59.98 59.45 3dn5 h ARG 232 Cb 0.11 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.13 3dn5 h ARG 232 CO 0.01 1.05 -0.80 0.82 -1.07 0.00 0.00 179.97 179.98 3dn5 h ILE 233 N 0.79 1.32 -0.90 2.04 2.04 -1.71 -2.63 117.51 118.45 3dn5 h ILE 233 Ca 0.11 -2.09 0.11 0.00 1.00 0.00 0.00 64.86 64.00 3dn5 h ILE 233 Cb 0.73 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.83 3dn5 h ILE 233 CO 0.06 0.65 0.58 0.11 0.00 0.00 0.00 178.15 179.54 3dn5 h LYS 234 N 0.42 0.82 -0.37 2.37 1.57 -1.17 -0.72 116.57 119.49 3dn5 h LYS 234 Ca -0.05 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3dn5 h LYS 234 Cb 1.41 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3dn5 h LYS 234 CO 0.15 0.54 -0.37 0.00 -0.57 0.00 0.00 179.45 179.20 3dn5 h ALA 235 N 1.57 0.63 -0.67 3.86 0.00 -1.13 0.13 119.26 123.65 3dn5 h ALA 235 Ca 0.43 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3dn5 h ALA 235 Cb 0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3dn5 h ALA 235 CO -0.19 0.67 0.25 0.82 0.00 0.00 0.00 179.25 180.80 3dn5 h ILE 236 N 0.73 1.24 -0.23 0.00 2.04 -1.03 -2.33 117.51 117.94 3dn5 h ILE 236 Ca 0.06 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.15 3dn5 h ILE 236 Cb 0.95 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3dn5 h ILE 236 CO 0.09 0.31 0.07 0.00 0.00 0.00 0.00 178.15 178.63 3dn5 h ALA 237 N 1.11 0.25 -0.23 1.87 0.00 -0.87 -2.80 119.26 118.59 3dn5 h ALA 237 Ca 0.22 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3dn5 h ALA 237 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dn5 h ALA 237 CO -0.01 -0.34 -0.12 0.00 0.00 0.00 0.00 179.25 178.77 3dn5 h ALA 238 N 1.15 1.37 -0.69 0.00 0.00 -0.64 -0.74 119.26 119.71 3dn5 h ALA 238 Ca 0.10 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.86 3dn5 h ALA 238 Cb 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3dn5 h ALA 238 CO -0.11 0.43 0.45 -0.22 0.00 0.00 0.00 179.25 179.81 3dn5 h LYS 239 N 0.36 0.58 -0.33 0.00 3.64 -1.17 -2.28 116.57 117.37 3dn5 h LYS 239 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3dn5 h LYS 239 Cb 0.43 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3dn5 h LYS 239 CO 0.02 0.38 0.00 0.72 -2.27 0.00 0.00 179.45 178.31 3dn5 n HIS 240 N -4.48 0.42 -3.83 1.91 8.25 -0.38 -4.95 115.22 112.15 3dn5 n HIS 240 Ca 0.11 -0.21 -0.26 0.00 -0.26 0.00 0.00 57.72 57.10 3dn5 n HIS 240 Cb 0.31 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.45 3dn5 n HIS 240 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3dn5 n ASN 241 N 1.42 -3.17 -4.43 0.41 5.15 -0.63 -5.00 115.26 109.01 3dn5 n ASN 241 Ca 0.19 -0.80 -0.21 0.00 -0.60 0.00 0.00 54.58 53.15 3dn5 n ASN 241 Cb 0.59 -3.93 -0.10 0.00 -0.53 0.00 0.00 39.78 35.81 3dn5 n ASN 241 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3dn5 s LYS 242 N -6.36 1.57 0.61 1.20 -0.14 -0.71 -5.04 119.74 110.88 3dn5 s LYS 242 Ca 0.37 -1.82 -0.07 0.00 -1.36 0.00 0.00 55.97 53.09 3dn5 s LYS 242 Cb -0.19 -1.01 0.01 0.00 -1.68 0.00 0.00 37.83 34.96 3dn5 s LYS 242 CO 0.82 -0.05 0.94 0.95 -0.76 0.00 0.00 175.35 177.25 3dn5 s THR 243 N -3.14 3.57 0.22 2.17 -4.23 -1.26 -4.15 115.64 108.81 3dn5 s THR 243 Ca 0.32 0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.82 3dn5 s THR 243 Cb 0.06 -3.44 0.16 0.00 1.34 0.00 0.00 72.50 70.62 3dn5 s THR 243 CO 0.13 -0.47 1.79 0.74 -0.54 0.00 0.00 174.62 176.27 3dn5 h THR 244 N -0.28 0.90 -0.91 3.99 2.02 -1.91 -1.66 112.91 115.07 3dn5 h THR 244 Ca -0.45 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 66.54 3dn5 h THR 244 Cb 1.26 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 3dn5 h THR 244 CO 0.61 0.12 0.59 0.00 0.37 0.00 0.00 175.52 177.21 3dn5 h ALA 245 N 1.40 1.21 -0.69 6.16 0.00 -1.93 -0.71 119.26 124.69 3dn5 h ALA 245 Ca 0.33 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3dn5 h ALA 245 Cb 0.29 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3dn5 h ALA 245 CO -0.23 0.44 0.16 1.96 0.00 0.00 0.00 179.25 181.57 3dn5 h GLN 246 N 1.13 1.12 -0.80 0.00 4.20 -1.68 -0.85 115.11 118.22 3dn5 h GLN 246 Ca 0.37 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3dn5 h GLN 246 Cb 0.02 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 3dn5 h GLN 246 CO -0.13 1.00 0.39 0.28 -0.67 0.00 0.00 178.83 179.70 3dn5 h VAL 247 N 1.05 1.25 0.00 -0.54 2.07 -0.96 0.02 116.25 119.14 3dn5 h VAL 247 Ca 0.22 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3dn5 h VAL 247 Cb 0.39 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3dn5 h VAL 247 CO 0.00 0.30 -0.23 -0.07 0.02 0.00 0.00 177.57 177.60 3dn5 h LEU 248 N 1.14 0.00 0.20 2.57 3.38 -0.51 -0.94 115.31 121.15 3dn5 h LEU 248 Ca 0.28 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.90 3dn5 h LEU 248 Cb 0.11 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.88 3dn5 h LEU 248 CO -0.04 0.23 -1.71 0.40 0.09 0.00 0.00 178.44 177.41 3dn5 h ILE 249 N 0.00 0.99 -0.49 1.22 2.04 -0.92 -3.34 117.51 117.02 3dn5 h ILE 249 Ca -0.00 -2.54 -0.02 0.00 1.00 0.00 0.00 64.86 63.29 3dn5 h ILE 249 Cb 0.63 2.81 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 3dn5 h ILE 249 CO 0.03 0.85 0.21 -0.09 0.00 0.00 0.00 178.15 179.15 3dn5 h ARG 250 N 0.12 0.69 0.27 2.37 9.65 -0.78 -3.23 114.38 123.47 3dn5 h ARG 250 Ca -0.33 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 58.46 3dn5 h ARG 250 Cb 2.12 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 30.53 3dn5 h ARG 250 CO 0.20 0.56 -0.39 0.35 2.80 0.00 0.00 179.97 183.49 3dn5 h PHE 251 N 0.69 -1.09 0.00 2.20 3.57 -1.29 -1.47 116.94 119.56 3dn5 h PHE 251 Ca 0.17 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3dn5 h PHE 251 Cb 0.12 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3dn5 h PHE 251 CO 0.01 -0.52 -0.21 -1.00 -2.23 0.00 0.00 178.31 174.36 3dn5 h PRO 252 N -0.73 0.00 -0.43 6.41 0.13 -1.73 -2.25 132.00 133.40 3dn5 h PRO 252 Ca -0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 3dn5 h PRO 252 Cb 0.69 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 3dn5 h PRO 252 CO -0.14 0.21 0.23 0.52 -0.23 0.00 0.00 178.00 178.58 3dn5 h MET 253 N 0.00 0.59 -0.00 0.86 2.86 -1.32 -0.95 114.93 116.97 3dn5 h MET 253 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3dn5 h MET 253 Cb 0.40 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3dn5 h MET 253 CO 0.03 0.44 -0.00 1.04 1.06 0.00 0.00 176.91 179.48 3dn5 n GLN 254 N -4.42 0.93 -0.44 1.72 6.02 -0.74 -2.37 117.38 118.08 3dn5 n GLN 254 Ca 0.03 -0.03 0.08 0.00 -0.01 0.00 0.00 57.00 57.08 3dn5 n GLN 254 Cb 0.10 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.14 3dn5 n GLN 254 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3dn5 n ARG 255 N -1.01 3.26 -2.84 -1.09 1.74 -0.42 -4.94 116.66 111.35 3dn5 n ARG 255 Ca 0.22 -2.63 -0.18 0.00 -0.77 0.00 0.00 57.85 54.49 3dn5 n ARG 255 Cb 0.14 -1.68 0.03 0.00 -1.02 0.00 0.00 32.46 29.92 3dn5 n ARG 255 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3dn5 n ASN 256 N 0.67 -5.32 -4.93 0.55 5.15 -1.00 -5.02 115.26 105.36 3dn5 n ASN 256 Ca 0.21 -0.22 -0.25 0.00 -0.60 0.00 0.00 54.58 53.72 3dn5 n ASN 256 Cb 0.74 -4.17 -0.03 0.00 -0.53 0.00 0.00 39.78 35.78 3dn5 n ASN 256 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3dn5 s LEU 257 N -5.53 4.27 0.28 1.20 1.43 -0.84 -4.69 118.68 114.81 3dn5 s LEU 257 Ca 0.23 0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.25 3dn5 s LEU 257 Cb -0.10 -2.83 -0.09 0.00 0.03 0.00 0.00 46.19 43.19 3dn5 s LEU 257 CO 0.29 0.03 0.77 -0.69 0.23 0.00 0.00 176.35 176.97 3dn5 s VAL 258 N -1.80 4.55 0.01 -1.59 1.01 -0.53 -4.27 120.40 117.78 3dn5 s VAL 258 Ca 0.34 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.57 3dn5 s VAL 258 Cb -0.10 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3dn5 s VAL 258 CO 0.28 0.02 -0.03 0.54 0.00 0.00 0.00 175.10 175.91 3dn5 s VAL 259 N -1.74 0.21 -0.46 2.92 0.11 0.96 0.07 120.40 122.47 3dn5 s VAL 259 Ca 0.49 -0.49 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 3dn5 s VAL 259 Cb -0.14 -0.25 0.26 0.00 -1.53 0.00 0.00 36.38 34.72 3dn5 s VAL 259 CO 0.19 -0.18 0.62 2.30 -3.33 0.00 0.00 175.10 174.70 3dn5 n ILE 260 N 2.36 0.26 -2.03 7.04 -5.35 -1.16 -1.24 119.36 119.24 3dn5 n ILE 260 Ca -0.17 -4.44 -0.39 0.00 -0.27 0.00 0.00 62.75 57.48 3dn5 n ILE 260 Cb 0.57 -1.78 0.00 0.00 -1.74 0.00 0.00 39.64 36.69 3dn5 n ILE 260 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3dn5 s PRO 261 N -1.73 3.77 -0.13 6.28 0.04 -1.20 -3.40 135.00 138.62 3dn5 s PRO 261 Ca 0.37 2.11 -0.06 0.00 0.04 0.00 0.00 61.00 63.47 3dn5 s PRO 261 Cb 0.19 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 3dn5 s PRO 261 CO -0.08 -0.64 0.08 0.21 0.04 0.00 0.00 177.00 176.61 3dn5 s LYS 262 N -2.45 3.50 0.00 4.56 2.36 -1.26 -1.25 119.74 125.20 3dn5 s LYS 262 Ca 0.61 -0.26 -0.21 0.00 -2.55 0.00 0.00 55.97 53.56 3dn5 s LYS 262 Cb -0.37 -3.11 0.04 0.00 -1.05 0.00 0.00 37.83 33.35 3dn5 s LYS 262 CO 0.46 0.60 0.47 0.45 1.55 0.00 0.00 175.35 178.89 3dn5 s SER 263 N -0.55 -0.38 0.00 1.43 0.15 -1.26 -4.94 113.70 108.15 3dn5 s SER 263 Ca 0.11 0.24 0.05 0.00 0.70 0.00 0.00 55.95 57.05 3dn5 s SER 263 Cb -0.12 0.43 0.09 0.00 -1.71 0.00 0.00 66.02 64.72 3dn5 s SER 263 CO 0.02 -0.59 0.91 1.33 1.20 0.00 0.00 173.24 176.11 3dn5 n VAL 264 N 0.83 0.55 -3.15 4.45 0.24 -1.26 -4.88 118.33 115.11 3dn5 n VAL 264 Ca -0.20 -0.78 -0.42 0.00 -2.04 0.00 0.00 64.34 60.91 3dn5 n VAL 264 Cb 0.58 0.77 -0.07 0.00 -1.47 0.00 0.00 33.84 33.65 3dn5 n VAL 264 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3dn5 s THR 265 N -0.74 4.90 0.29 3.34 2.01 -1.26 -4.72 115.64 119.47 3dn5 s THR 265 Ca 0.08 0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.46 3dn5 s THR 265 Cb 0.05 -4.09 0.28 0.00 0.01 0.00 0.00 72.50 68.75 3dn5 s THR 265 CO 0.07 -0.39 1.75 -0.65 -0.69 0.00 0.00 174.62 174.70 3dn5 h PRO 266 N 8.61 0.60 -0.59 4.92 0.11 -1.95 0.01 132.00 143.71 3dn5 h PRO 266 Ca -0.26 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.88 3dn5 h PRO 266 Cb 1.11 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 3dn5 h PRO 266 CO 0.84 0.39 0.28 1.49 -0.21 0.00 0.00 178.00 180.79 3dn5 h GLU 267 N 0.61 0.51 -0.07 1.05 4.81 -2.00 -2.20 114.58 117.29 3dn5 h GLU 267 Ca 0.55 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.53 3dn5 h GLU 267 Cb 0.92 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.19 3dn5 h GLU 267 CO -0.43 0.34 -0.85 0.00 -0.73 0.00 0.00 179.01 177.35 3dn5 h ARG 268 N 0.52 0.58 -0.52 1.92 3.08 -1.48 -1.05 114.38 117.43 3dn5 h ARG 268 Ca 0.27 -0.53 0.06 0.00 0.07 0.00 0.00 59.98 59.85 3dn5 h ARG 268 Cb 0.23 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 3dn5 h ARG 268 CO -0.21 1.15 0.24 0.82 -1.07 0.00 0.00 179.97 180.90 3dn5 h ILE 269 N 0.37 0.91 -0.26 2.04 2.04 -0.79 0.17 117.51 121.99 3dn5 h ILE 269 Ca -0.07 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3dn5 h ILE 269 Cb 1.46 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3dn5 h ILE 269 CO 0.16 0.08 0.05 0.00 0.00 0.00 0.00 178.15 178.45 3dn5 h ALA 270 N 1.31 0.34 -0.41 1.87 0.00 -1.34 -3.11 119.26 117.91 3dn5 h ALA 270 Ca 0.24 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3dn5 h ALA 270 Cb 0.19 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3dn5 h ALA 270 CO -0.19 0.01 0.03 1.49 0.00 0.00 0.00 179.25 180.58 3dn5 h GLU 271 N 0.24 0.14 0.00 0.00 4.81 -0.73 -2.71 114.58 116.31 3dn5 h GLU 271 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3dn5 h GLU 271 Cb 0.30 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3dn5 h GLU 271 CO 0.00 0.09 0.00 -0.91 -0.73 0.00 0.00 179.01 177.46 3dn5 h ASN 272 N 0.14 0.00 0.82 1.04 2.35 -0.62 -1.84 115.58 117.47 3dn5 h ASN 272 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3dn5 h ASN 272 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3dn5 h ASN 272 CO -0.31 0.00 -0.82 0.15 -1.65 0.00 0.00 177.43 174.80 3dn5 h PHE 273 N 0.00 0.00 -0.61 1.19 3.57 -1.44 -3.40 116.94 116.25 3dn5 h PHE 273 Ca 0.00 0.00 -0.71 0.00 3.53 0.00 0.00 57.97 60.79 3dn5 h PHE 273 Cb 0.35 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 3dn5 h PHE 273 CO 0.00 0.00 2.96 1.63 -2.23 0.00 0.00 178.31 180.67 3dn5 n LYS 274 N -2.26 3.84 -0.12 1.11 5.02 -0.69 -4.27 118.16 120.79 3dn5 n LYS 274 Ca 0.02 -2.90 0.03 0.00 -2.02 0.00 0.00 58.31 53.44 3dn5 n LYS 274 Cb 0.47 -2.85 0.05 0.00 -0.02 0.00 0.00 35.03 32.68 3dn5 n LYS 274 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3dn5 n VAL 275 N 3.19 0.91 -0.33 -0.18 0.24 -1.26 -4.67 118.33 116.23 3dn5 n VAL 275 Ca 0.62 -1.04 0.08 0.00 -2.04 0.00 0.00 64.34 61.97 3dn5 n VAL 275 Cb 0.28 0.35 0.23 0.00 -1.47 0.00 0.00 33.84 33.23 3dn5 n VAL 275 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3dn5 n PHE 276 N -0.62 0.73 -0.45 6.34 3.72 -1.26 -4.43 117.46 121.50 3dn5 n PHE 276 Ca 0.05 -0.53 0.05 0.00 -0.05 0.00 0.00 57.45 56.97 3dn5 n PHE 276 Cb 0.51 -0.06 0.10 0.00 -0.94 0.00 0.00 39.48 39.09 3dn5 n PHE 276 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3dn5 n ASP 277 N 0.83 2.54 -3.94 4.37 3.85 -1.26 -5.02 116.55 117.92 3dn5 n ASP 277 Ca 0.17 -2.42 -0.10 0.00 -0.71 0.00 0.00 54.79 51.74 3dn5 n ASP 277 Cb 0.55 -0.23 -0.07 0.00 -1.35 0.00 0.00 41.12 40.03 3dn5 n ASP 277 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 3dn5 s PHE 278 N -1.73 0.34 -0.04 2.11 -0.71 -1.26 -5.16 117.98 111.52 3dn5 s PHE 278 Ca 0.19 -0.70 0.02 0.00 -1.04 0.00 0.00 56.93 55.40 3dn5 s PHE 278 Cb 0.14 -0.00 0.01 0.00 -1.21 0.00 0.00 43.02 41.96 3dn5 s PHE 278 CO 0.05 -0.74 -0.10 -2.00 -1.34 0.00 0.00 175.22 171.09 3dn5 s GLU 279 N -3.96 1.20 0.23 1.99 2.12 -1.26 -5.06 118.70 113.97 3dn5 s GLU 279 Ca 0.16 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 54.85 3dn5 s GLU 279 Cb 0.03 -1.08 -0.09 0.00 0.26 0.00 0.00 34.13 33.25 3dn5 s GLU 279 CO -0.00 0.09 1.09 -0.51 -0.54 0.00 0.00 175.26 175.38 3dn5 s LEU 280 N 0.36 4.53 0.86 2.70 1.43 -1.26 -5.03 118.68 122.27 3dn5 s LEU 280 Ca -0.07 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 3dn5 s LEU 280 Cb -0.11 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.60 3dn5 s LEU 280 CO 0.01 -0.15 1.10 -0.94 0.23 0.00 0.00 176.35 176.60 3dn5 s SER 281 N -0.55 3.89 0.27 2.29 1.04 -1.26 -4.80 113.70 114.58 3dn5 s SER 281 Ca 0.46 1.30 -0.01 0.00 0.48 0.00 0.00 55.95 58.18 3dn5 s SER 281 Cb -0.30 -1.99 0.46 0.00 0.10 0.00 0.00 66.02 64.28 3dn5 s SER 281 CO 0.37 -2.35 1.86 -1.28 0.98 0.00 0.00 173.24 172.82 3dn5 h SER 282 N -1.35 0.98 -0.39 7.02 0.87 -1.99 -0.44 113.55 118.24 3dn5 h SER 282 Ca -0.49 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.03 3dn5 h SER 282 Cb 1.29 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 3dn5 h SER 282 CO 0.58 0.58 -0.04 -0.61 -0.53 0.00 0.00 176.83 176.82 3dn5 h GLN 283 N 1.09 0.71 -0.59 2.24 5.75 -1.99 -1.30 115.11 121.02 3dn5 h GLN 283 Ca 0.45 -0.24 0.07 0.00 -0.15 0.00 0.00 58.65 58.78 3dn5 h GLN 283 Cb 0.29 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.73 3dn5 h GLN 283 CO -0.21 0.82 0.26 -0.44 -2.65 0.00 0.00 178.83 176.61 3dn5 h ASP 284 N 0.52 0.32 -0.37 -0.69 3.32 -1.74 0.11 116.42 117.90 3dn5 h ASP 284 Ca 0.11 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3dn5 h ASP 284 Cb 0.53 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3dn5 h ASP 284 CO 0.03 0.20 0.10 0.24 -1.72 0.00 0.00 179.24 178.09 3dn5 h MET 285 N 0.48 0.59 -0.65 3.56 2.86 -0.84 -0.12 114.93 120.81 3dn5 h MET 285 Ca 0.28 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3dn5 h MET 285 Cb 0.28 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 3dn5 h MET 285 CO -0.24 0.62 0.39 1.15 1.06 0.00 0.00 176.91 179.88 3dn5 h THR 286 N 0.45 1.19 -0.24 2.22 2.02 -0.95 -0.55 112.91 117.05 3dn5 h THR 286 Ca 0.12 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.89 3dn5 h THR 286 Cb 0.28 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3dn5 h THR 286 CO -0.00 0.19 0.14 0.74 0.37 0.00 0.00 175.52 176.96 3dn5 h THR 287 N 0.88 1.03 -0.56 3.16 2.02 -0.43 -1.25 112.91 117.76 3dn5 h THR 287 Ca 0.23 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.21 3dn5 h THR 287 Cb -0.03 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3dn5 h THR 287 CO -0.04 0.05 -0.05 -0.07 0.37 0.00 0.00 175.52 175.78 3dn5 h LEU 288 N 0.29 1.02 -1.60 2.58 3.38 -0.77 -1.78 115.31 118.43 3dn5 h LEU 288 Ca 0.09 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3dn5 h LEU 288 Cb -0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3dn5 h LEU 288 CO -0.05 1.10 -0.21 -0.07 0.09 0.00 0.00 178.44 179.31 3dn5 h LEU 289 N 0.91 0.00 -0.18 1.67 3.38 -0.81 -2.12 115.31 118.16 3dn5 h LEU 289 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dn5 h LEU 289 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3dn5 h LEU 289 CO 0.04 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.24 3dn5 n SER 290 N -4.18 0.14 -0.54 -0.43 3.41 -0.50 -2.55 113.62 108.98 3dn5 n SER 290 Ca -0.02 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 3dn5 n SER 290 Cb 0.28 -0.57 0.33 0.00 -0.26 0.00 0.00 64.21 63.99 3dn5 n SER 290 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3dn5 n TYR 291 N -1.66 0.25 -1.73 7.33 4.01 -0.80 -4.93 117.16 119.64 3dn5 n TYR 291 Ca 0.03 -0.13 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 3dn5 n TYR 291 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.17 3dn5 n TYR 291 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3dn5 n ASN 292 N 0.29 3.30 0.00 7.72 5.15 -0.64 -4.31 115.26 126.77 3dn5 n ASN 292 Ca 0.15 1.20 0.00 0.00 -0.60 0.00 0.00 54.58 55.33 3dn5 n ASN 292 Cb 0.30 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.01 3dn5 n ASN 292 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 3dn5 n ARG 293 N 0.90 0.18 -3.37 1.20 1.85 -0.40 -4.97 116.66 112.05 3dn5 n ARG 293 Ca 0.05 -0.52 -0.23 0.00 -1.00 0.00 0.00 57.85 56.15 3dn5 n ARG 293 Cb 0.37 -0.53 0.06 0.00 -1.05 0.00 0.00 32.46 31.31 3dn5 n ARG 293 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3dn5 n ASN 294 N -0.03 -6.18 -4.61 2.89 3.02 0.28 -4.97 115.26 105.66 3dn5 n ASN 294 Ca 0.00 -0.44 -0.39 0.00 -0.03 0.00 0.00 54.58 53.72 3dn5 n ASN 294 Cb 0.46 -4.87 -0.09 0.00 -0.61 0.00 0.00 39.78 34.67 3dn5 n ASN 294 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3dn5 s TRP 295 N -3.26 3.26 -0.15 3.10 -0.00 -0.72 -5.00 118.94 116.18 3dn5 s TRP 295 Ca 0.48 0.39 -0.03 0.00 -0.00 0.00 0.00 56.10 56.93 3dn5 s TRP 295 Cb -0.21 -2.52 -0.03 0.00 -0.00 0.00 0.00 33.47 30.71 3dn5 s TRP 295 CO 0.59 -0.17 -0.04 1.03 -0.00 0.00 0.00 176.95 178.36 3dn5 s ARG 296 N 1.87 3.59 0.12 5.86 0.52 -1.26 -4.41 118.95 125.24 3dn5 s ARG 296 Ca 0.14 -0.52 -0.16 0.00 -0.52 0.00 0.00 55.73 54.67 3dn5 s ARG 296 Cb -0.16 -2.89 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 3dn5 s ARG 296 CO 0.09 0.29 1.62 0.28 0.02 0.00 0.00 175.30 177.60 3dn5 h VAL 297 N 5.05 1.23 -3.61 3.52 2.07 -1.98 -3.42 116.25 119.11 3dn5 h VAL 297 Ca -0.33 -0.78 -0.67 0.00 0.82 0.00 0.00 66.70 65.74 3dn5 h VAL 297 Cb 1.19 1.03 -0.38 0.00 -1.52 0.00 0.00 31.29 31.61 3dn5 h VAL 297 CO 0.62 0.27 -0.65 0.00 0.02 0.00 0.00 177.57 177.82 3dn5 s ALA 299 N 0.99 -1.95 -0.12 0.00 0.00 -1.26 -5.05 121.76 114.37 3dn5 s ALA 299 Ca 0.10 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.75 3dn5 s ALA 299 Cb -0.20 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 3dn5 s ALA 299 CO -0.07 -1.70 0.66 -0.51 0.00 0.00 0.00 175.76 174.14 3dn5 s LEU 300 N 2.73 4.25 0.52 0.00 1.02 -1.26 -4.89 118.68 121.06 3dn5 s LEU 300 Ca 0.12 1.03 0.24 0.00 0.02 0.00 0.00 54.13 55.54 3dn5 s LEU 300 Cb -0.12 -2.99 1.37 0.00 0.02 0.00 0.00 46.19 44.47 3dn5 s LEU 300 CO -0.26 -0.17 1.99 0.25 0.02 0.00 0.00 176.35 178.18 3dn5 h LEU 301 N 7.29 0.04 -0.07 1.79 5.85 -2.01 -1.66 115.31 126.54 3dn5 h LEU 301 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3dn5 h LEU 301 Cb 1.17 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3dn5 h LEU 301 CO 0.77 0.02 0.00 -1.54 -0.34 0.00 0.00 178.44 177.35 3dn5 n SER 302 N -4.39 0.06 -0.43 1.25 3.41 -1.26 -2.50 113.62 109.76 3dn5 n SER 302 Ca 0.10 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.27 3dn5 n SER 302 Cb 0.60 -0.53 0.08 0.00 -0.26 0.00 0.00 64.21 64.10 3dn5 n SER 302 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dn5 n THR 304 N 0.38 0.97 0.36 0.00 -2.24 -1.04 -1.34 114.28 111.37 3dn5 n THR 304 Ca 0.07 0.26 0.10 0.00 -2.27 0.00 0.00 64.05 62.21 3dn5 n THR 304 Cb 0.31 -1.09 0.15 0.00 -2.10 0.00 0.00 70.33 67.61 3dn5 n THR 304 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3dn5 n SER 305 N -1.77 3.01 -4.77 3.42 7.64 -1.26 -4.91 113.62 114.98 3dn5 n SER 305 Ca 0.03 -1.88 -0.40 0.00 1.01 0.00 0.00 58.87 57.63 3dn5 n SER 305 Cb 0.18 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3dn5 n SER 305 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3dn5 s HIS 306 N -1.36 2.69 0.54 1.43 5.04 -0.45 -4.87 115.29 118.30 3dn5 s HIS 306 Ca 0.30 1.33 0.19 0.00 -1.54 0.00 0.00 55.06 55.34 3dn5 s HIS 306 Cb 0.18 -3.80 1.41 0.00 0.04 0.00 0.00 32.58 30.40 3dn5 s HIS 306 CO 0.25 -2.48 2.17 1.57 -2.34 0.00 0.00 174.74 173.92 3dn5 h LYS 307 N 2.68 0.00 -0.47 2.88 2.10 -1.93 -1.71 116.57 120.12 3dn5 h LYS 307 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3dn5 h LYS 307 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3dn5 h LYS 307 CO 0.63 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.83 3dn5 n ASP 308 N -4.36 4.44 -4.67 7.07 8.00 -1.26 -4.99 116.55 120.78 3dn5 n ASP 308 Ca -0.03 -2.66 -0.48 0.00 0.71 0.00 0.00 54.79 52.32 3dn5 n ASP 308 Cb 0.09 -0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.60 3dn5 n ASP 308 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dn5 n TYR 309 N 0.43 2.20 0.57 1.24 9.36 -0.64 -4.46 117.16 125.85 3dn5 n TYR 309 Ca 0.23 0.22 0.13 0.00 3.32 0.00 0.00 57.90 61.79 3dn5 n TYR 309 Cb 0.89 -2.56 0.37 0.00 -0.63 0.00 0.00 39.34 37.41 3dn5 n TYR 309 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3dn5 h PRO 310 N 7.21 0.00 -0.35 2.98 0.13 -1.92 -3.38 132.00 136.68 3dn5 h PRO 310 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3dn5 h PRO 310 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3dn5 h PRO 310 CO 0.91 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.87 3dn5 n PHE 311 N -2.38 1.10 0.01 1.56 3.72 -1.26 -4.03 117.46 116.18 3dn5 n PHE 311 Ca 0.05 -0.79 -0.14 0.00 -0.05 0.00 0.00 57.45 56.52 3dn5 n PHE 311 Cb 0.44 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 3dn5 n PHE 311 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3dn5 h HIS 312 N 2.34 0.85 -4.13 1.38 3.86 -1.98 -3.46 115.15 114.02 3dn5 h HIS 312 Ca 0.00 -0.38 -0.55 0.00 -1.16 0.00 0.00 60.37 58.28 3dn5 h HIS 312 Cb 1.44 -0.13 0.15 0.00 1.06 0.00 0.00 27.41 29.93 3dn5 h HIS 312 CO 0.58 1.18 0.47 -1.21 0.86 0.00 0.00 177.93 179.81 3dn5 s GLU 313 N -3.66 2.47 0.24 2.45 0.41 -1.26 -4.93 118.70 114.43 3dn5 s GLU 313 Ca -0.08 1.93 -0.07 0.00 -0.41 0.00 0.00 54.97 56.34 3dn5 s GLU 313 Cb 0.09 -1.85 0.26 0.00 -1.78 0.00 0.00 34.13 30.85 3dn5 s GLU 313 CO 0.88 -1.62 1.91 1.49 -0.49 0.00 0.00 175.26 177.42 3dn5 h GLU 314 N 0.32 1.19 0.00 1.61 4.81 -1.93 -3.52 114.58 117.07 3dn5 h GLU 314 Ca -0.50 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3dn5 h GLU 314 Cb 1.32 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3dn5 h GLU 314 CO 0.52 0.79 0.00 1.97 -0.73 0.00 0.00 179.01 181.56