#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhu n THR 7 N 0.00 0.95 -0.13 1.69 -2.24 -1.26 -1.61 114.28 111.68 3dhu n THR 7 Ca 0.00 0.25 0.18 0.00 -2.27 0.00 0.00 64.05 62.21 3dhu n THR 7 Cb 0.00 -1.09 0.57 0.00 -2.10 0.00 0.00 70.33 67.71 3dhu n THR 7 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3dhu h GLN 8 N 0.00 0.27 0.00 -0.78 4.20 -1.97 -1.62 115.11 115.21 3dhu h GLN 8 Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3dhu h GLN 8 Cb 0.29 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3dhu h GLN 8 CO 0.00 0.18 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.23 3dhu h LEU 9 N 0.28 0.00 0.00 1.46 3.38 -1.70 -0.13 115.31 118.60 3dhu h LEU 9 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3dhu h LEU 9 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3dhu h LEU 9 CO -0.08 0.04 0.00 0.54 0.09 0.00 0.00 178.44 179.02 3dhu n ARG 10 N -3.70 0.05 -0.22 1.13 1.74 -0.61 -1.83 116.66 113.23 3dhu n ARG 10 Ca -0.03 0.22 0.11 0.00 -0.77 0.00 0.00 57.85 57.38 3dhu n ARG 10 Cb 0.13 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.34 3dhu n ARG 10 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3dhu n ASN 11 N -1.45 3.06 -4.77 0.55 5.03 -0.06 -4.71 115.26 112.91 3dhu n ASN 11 Ca 0.04 -1.95 -0.33 0.00 0.87 0.00 0.00 54.58 53.22 3dhu n ASN 11 Cb 0.16 -0.29 -0.07 0.00 -1.02 0.00 0.00 39.78 38.56 3dhu n ASN 11 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3dhu s GLU 12 N -1.42 2.20 0.00 3.52 2.02 -0.76 -3.98 118.70 120.28 3dhu s GLU 12 Ca 0.38 -2.40 -0.04 0.00 0.02 0.00 0.00 54.97 52.93 3dhu s GLU 12 Cb 0.21 -1.55 -0.00 0.00 0.10 0.00 0.00 34.13 32.89 3dhu s GLU 12 CO 0.29 -0.38 0.07 1.41 0.02 0.00 0.00 175.26 176.67 3dhu s MET 13 N -3.90 0.37 -0.11 1.61 -2.45 -1.26 -4.08 119.30 109.47 3dhu s MET 13 Ca 0.06 -0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.12 3dhu s MET 13 Cb 0.01 0.15 -0.01 0.00 1.25 0.00 0.00 34.83 36.23 3dhu s MET 13 CO 0.03 -0.08 -0.17 0.42 1.05 0.00 0.00 175.02 176.28 3dhu s ILE 14 N -1.19 2.74 -0.19 10.11 1.01 -0.34 -1.69 121.20 131.66 3dhu s ILE 14 Ca -0.13 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 3dhu s ILE 14 Cb -0.07 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3dhu s ILE 14 CO 0.00 0.54 -0.01 -0.47 0.00 0.00 0.00 174.94 175.01 3dhu s TYR 15 N 0.24 3.04 -0.21 3.97 5.04 -0.69 -0.47 117.35 128.27 3dhu s TYR 15 Ca -0.11 -0.41 -0.11 0.00 -2.44 0.00 0.00 57.07 54.00 3dhu s TYR 15 Cb -0.16 -2.05 -0.05 0.00 0.35 0.00 0.00 41.96 40.05 3dhu s TYR 15 CO 0.06 -0.18 0.18 0.45 -1.34 0.00 0.00 175.55 174.72 3dhu s SER 16 N 0.84 6.22 -0.12 4.32 0.15 0.17 -1.28 113.70 123.99 3dhu s SER 16 Ca 0.00 0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.91 3dhu s SER 16 Cb -0.14 -2.12 -0.00 0.00 -1.71 0.00 0.00 66.02 62.05 3dhu s SER 16 CO 0.02 0.11 -0.20 -0.69 1.20 0.00 0.00 173.24 173.67 3dhu s VAL 17 N 0.72 2.33 -0.72 4.45 1.01 0.66 -0.83 120.40 128.03 3dhu s VAL 17 Ca 0.10 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 3dhu s VAL 17 Cb -0.12 -1.93 0.19 0.00 0.00 0.00 0.00 36.38 34.51 3dhu s VAL 17 CO 0.02 0.54 0.66 0.12 0.00 0.00 0.00 175.10 176.44 3dhu s PHE 18 N 0.51 3.59 0.20 5.22 2.19 -1.26 -0.85 117.98 127.57 3dhu s PHE 18 Ca -0.13 -1.82 -0.11 0.00 0.33 0.00 0.00 56.93 55.20 3dhu s PHE 18 Cb -0.17 -3.77 0.25 0.00 -1.31 0.00 0.00 43.02 38.02 3dhu s PHE 18 CO 0.05 -0.99 1.73 0.28 1.83 0.00 0.00 175.22 178.12 3dhu h VAL 19 N 5.18 0.74 -0.91 3.12 2.07 -1.92 -0.25 116.25 124.28 3dhu h VAL 19 Ca -0.03 -0.11 0.22 0.00 0.82 0.00 0.00 66.70 67.60 3dhu h VAL 19 Cb 1.05 0.38 -0.12 0.00 -1.52 0.00 0.00 31.29 31.08 3dhu h VAL 19 CO 0.84 0.06 0.43 -0.09 0.02 0.00 0.00 177.57 178.83 3dhu h ARG 20 N 0.33 0.43 -0.01 1.57 2.43 -1.92 -3.00 114.38 114.22 3dhu h ARG 20 Ca 0.29 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3dhu h ARG 20 Cb 0.38 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3dhu h ARG 20 CO -0.32 0.29 -0.37 0.09 -1.51 0.00 0.00 179.97 178.14 3dhu n ASN 21 N -5.01 1.30 -0.04 -3.80 3.02 -0.34 -4.24 115.26 106.14 3dhu n ASN 21 Ca 0.22 -1.15 -0.03 0.00 -0.03 0.00 0.00 54.58 53.60 3dhu n ASN 21 Cb 0.65 0.59 0.20 0.00 -0.61 0.00 0.00 39.78 40.62 3dhu n ASN 21 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3dhu h TYR 22 N 1.21 0.68 -4.39 3.10 3.20 -0.95 0.70 116.97 120.52 3dhu h TYR 22 Ca 0.00 -0.10 -0.22 0.00 3.14 0.00 0.00 58.73 61.54 3dhu h TYR 22 Cb 0.44 -0.18 -0.15 0.00 1.54 0.00 0.00 36.73 38.38 3dhu h TYR 22 CO 0.00 0.70 -0.64 -1.54 -1.64 0.00 0.00 178.16 175.04 3dhu s SER 23 N -6.72 0.38 0.16 -2.11 1.04 -1.26 -4.58 113.70 100.61 3dhu s SER 23 Ca -0.08 -1.28 -0.10 0.00 0.48 0.00 0.00 55.95 54.96 3dhu s SER 23 Cb 0.15 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3dhu s SER 23 CO 0.79 -0.76 1.55 -0.08 0.98 0.00 0.00 173.24 175.72 3dhu h GLU 24 N 2.73 1.00 -0.91 4.02 4.57 -1.90 -2.43 114.58 121.66 3dhu h GLU 24 Ca -0.36 -0.43 0.15 0.00 -1.18 0.00 0.00 59.36 57.54 3dhu h GLU 24 Cb 1.22 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.68 3dhu h GLU 24 CO 0.57 1.11 0.51 0.00 -1.18 0.00 0.00 179.01 180.02 3dhu h ALA 25 N 0.87 1.40 -2.18 2.92 0.00 -1.96 -3.47 119.26 116.84 3dhu h ALA 25 Ca 0.11 0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 3dhu h ALA 25 Cb 0.80 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3dhu h ALA 25 CO 0.07 -0.01 -0.34 0.41 0.00 0.00 0.00 179.25 179.38 3dhu n GLY 26 N -1.33 -0.11 3.33 0.00 0.00 -0.92 -5.01 105.19 101.16 3dhu n GLY 26 Ca 0.18 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 3dhu n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dhu s ASN 27 N -2.58 1.80 0.18 1.61 2.20 -1.25 -4.09 114.94 112.80 3dhu s ASN 27 Ca 0.07 -1.71 -0.13 0.00 -0.94 0.00 0.00 52.86 50.15 3dhu s ASN 27 Cb -0.03 0.53 0.16 0.00 -2.00 0.00 0.00 41.25 39.91 3dhu s ASN 27 CO 0.08 -1.01 1.75 -0.26 -2.94 0.00 0.00 177.10 174.73 3dhu h PHE 28 N 2.10 0.33 0.00 1.54 0.04 -1.34 -2.55 116.94 117.07 3dhu h PHE 28 Ca -0.28 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.51 3dhu h PHE 28 Cb 1.24 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.32 3dhu h PHE 28 CO 1.54 0.12 -0.02 0.00 -0.60 0.00 0.00 178.31 179.35 3dhu h ALA 29 N 1.32 1.94 -0.20 2.45 0.00 -1.85 0.13 119.26 123.05 3dhu h ALA 29 Ca 0.23 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3dhu h ALA 29 Cb 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3dhu h ALA 29 CO -0.23 0.02 -0.16 0.78 0.00 0.00 0.00 179.25 179.67 3dhu h GLY 30 N 0.06 0.35 0.17 0.00 0.00 -1.85 -0.93 103.07 100.86 3dhu h GLY 30 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3dhu h GLY 30 CO 0.00 0.22 -0.02 -2.08 0.00 0.00 0.00 176.54 174.66 3dhu h VAL 31 N 0.30 1.29 -0.74 4.60 2.07 -0.79 -3.34 116.25 119.65 3dhu h VAL 31 Ca 0.06 -1.70 0.14 0.00 0.82 0.00 0.00 66.70 66.02 3dhu h VAL 31 Cb 0.46 2.31 -0.10 0.00 -1.52 0.00 0.00 31.29 32.45 3dhu h VAL 31 CO 0.03 0.39 0.27 0.74 0.02 0.00 0.00 177.57 179.02 3dhu h THR 32 N -0.88 0.63 0.00 2.57 2.02 -0.88 0.19 112.91 116.55 3dhu h THR 32 Ca -0.01 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3dhu h THR 32 Cb 0.68 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3dhu h THR 32 CO 0.01 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.97 3dhu h ALA 33 N 1.55 1.00 -0.09 6.16 0.00 -1.30 -2.44 119.26 124.13 3dhu h ALA 33 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3dhu h ALA 33 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3dhu h ALA 33 CO -0.42 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.36 3dhu n ASP 34 N -2.38 2.49 0.17 0.00 2.03 0.63 -4.71 116.55 114.78 3dhu n ASP 34 Ca -0.01 -2.41 0.06 0.00 0.52 0.00 0.00 54.79 52.95 3dhu n ASP 34 Cb 0.09 -0.22 0.52 0.00 -0.72 0.00 0.00 41.12 40.79 3dhu n ASP 34 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3dhu h LEU 35 N 0.59 0.15 -0.75 -2.67 3.38 -1.15 -2.41 115.31 112.44 3dhu h LEU 35 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3dhu h LEU 35 Cb 0.79 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3dhu h LEU 35 CO 0.03 0.18 0.23 -0.61 0.09 0.00 0.00 178.44 178.35 3dhu h GLN 36 N 0.17 1.16 -0.48 1.13 5.75 -1.84 0.16 115.11 121.16 3dhu h GLN 36 Ca 0.04 -0.25 -0.05 0.00 -0.15 0.00 0.00 58.65 58.24 3dhu h GLN 36 Cb 0.10 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 3dhu h GLN 36 CO 0.00 0.99 0.12 -0.09 -2.65 0.00 0.00 178.83 177.19 3dhu h ARG 37 N 1.11 0.78 -0.45 1.69 2.43 -1.80 0.20 114.38 118.34 3dhu h ARG 37 Ca 0.24 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3dhu h ARG 37 Cb 0.31 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3dhu h ARG 37 CO -0.01 0.76 0.29 0.82 -1.51 0.00 0.00 179.97 180.32 3dhu h ILE 38 N 0.66 1.12 0.58 1.20 2.04 -1.22 0.01 117.51 121.90 3dhu h ILE 38 Ca 0.15 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3dhu h ILE 38 Cb 0.33 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3dhu h ILE 38 CO 0.00 0.11 -0.28 0.50 0.00 0.00 0.00 178.15 178.48 3dhu h LYS 39 N 0.60 -0.75 -0.07 2.37 1.63 -0.50 -2.62 116.57 117.23 3dhu h LYS 39 Ca 0.16 0.05 0.02 0.00 -0.85 0.00 0.00 60.65 60.04 3dhu h LYS 39 Cb -0.06 0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3dhu h LYS 39 CO -0.03 -0.50 0.15 -0.44 -3.45 0.00 0.00 179.45 175.17 3dhu h ASP 40 N -0.78 0.00 0.85 4.20 3.32 -0.38 -0.20 116.42 123.43 3dhu h ASP 40 Ca -0.08 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3dhu h ASP 40 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3dhu h ASP 40 CO 0.12 0.00 -0.33 0.25 -1.72 0.00 0.00 179.24 177.57 3dhu h LEU 41 N 0.00 0.00 0.00 1.55 5.85 -0.61 -3.47 115.31 118.63 3dhu h LEU 41 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3dhu h LEU 41 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3dhu h LEU 41 CO -0.00 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.04 3dhu n GLY 42 N 0.18 1.66 3.75 3.75 0.00 -0.09 -3.98 105.19 110.46 3dhu n GLY 42 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3dhu n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dhu s THR 43 N -2.00 2.58 -0.16 2.61 2.01 -1.13 -4.52 115.64 115.03 3dhu s THR 43 Ca 0.00 0.50 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 3dhu s THR 43 Cb 0.00 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 3dhu s THR 43 CO 0.00 0.08 -0.18 0.47 -0.69 0.00 0.00 174.62 174.31 3dhu n ASP 44 N 2.11 2.00 -4.11 3.53 8.00 -0.68 -4.78 116.55 122.62 3dhu n ASP 44 Ca 0.06 0.06 -0.33 0.00 0.71 0.00 0.00 54.79 55.29 3dhu n ASP 44 Cb 0.40 -0.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.97 3dhu n ASP 44 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dhu s ILE 45 N -2.31 2.03 -0.45 0.53 1.01 -1.06 -0.64 121.20 120.31 3dhu s ILE 45 Ca -0.22 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.31 3dhu s ILE 45 Cb 0.07 -1.85 0.05 0.00 0.01 0.00 0.00 42.46 40.73 3dhu s ILE 45 CO 0.33 0.51 0.42 -0.22 0.00 0.00 0.00 174.94 175.98 3dhu s LEU 46 N 1.29 5.23 -0.26 2.97 2.96 0.11 -1.71 118.68 129.27 3dhu s LEU 46 Ca 0.04 -1.01 -0.15 0.00 -0.22 0.00 0.00 54.13 52.79 3dhu s LEU 46 Cb -0.13 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 3dhu s LEU 46 CO -0.13 -0.63 0.37 0.86 -1.32 0.00 0.00 176.35 175.51 3dhu s TRP 47 N 1.92 3.26 -0.11 5.38 -0.00 -0.40 -0.70 118.94 128.29 3dhu s TRP 47 Ca 0.08 0.43 -0.12 0.00 -0.00 0.00 0.00 56.10 56.48 3dhu s TRP 47 Cb -0.21 -2.56 -0.05 0.00 -0.00 0.00 0.00 33.47 30.66 3dhu s TRP 47 CO 0.10 -0.20 0.28 -0.51 -0.00 0.00 0.00 176.95 176.62 3dhu s LEU 48 N 1.96 4.34 1.04 5.86 1.43 -0.32 -0.24 118.68 132.74 3dhu s LEU 48 Ca 0.15 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.74 3dhu s LEU 48 Cb -0.16 -2.34 0.21 0.00 0.03 0.00 0.00 46.19 43.93 3dhu s LEU 48 CO 0.10 0.24 1.05 0.18 0.23 0.00 0.00 176.35 178.14 3dhu n LEU 49 N 2.73 1.03 -4.50 1.79 4.77 -0.03 -3.01 117.00 119.78 3dhu n LEU 49 Ca -0.15 0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 3dhu n LEU 49 Cb 0.53 -1.37 -0.00 0.00 -2.33 0.00 0.00 43.42 40.25 3dhu n LEU 49 CO 0.37 -2.72 0.23 -2.65 -1.33 0.00 0.00 177.39 171.29 3dhu n PRO 50 N -4.47 0.77 -0.10 3.23 -0.02 -1.26 -4.71 135.00 128.44 3dhu n PRO 50 Ca 0.08 0.27 0.08 0.00 -2.02 0.00 0.00 63.50 61.91 3dhu n PRO 50 Cb 0.53 -1.58 0.13 0.00 -0.02 0.00 0.00 33.50 32.56 3dhu n PRO 50 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3dhu n ILE 51 N -0.46 1.73 -4.16 4.25 -5.35 -1.26 -4.92 119.36 109.19 3dhu n ILE 51 Ca 0.12 -1.95 -0.24 0.00 -0.27 0.00 0.00 62.75 60.40 3dhu n ILE 51 Cb 0.36 -0.08 -0.06 0.00 -1.74 0.00 0.00 39.64 38.12 3dhu n ILE 51 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3dhu s ASN 52 N -2.37 5.18 0.28 7.28 0.02 -1.26 -0.44 114.94 123.63 3dhu s ASN 52 Ca 0.27 -0.33 -0.30 0.00 -1.02 0.00 0.00 52.86 51.48 3dhu s ASN 52 Cb 0.23 -1.23 -0.13 0.00 0.02 0.00 0.00 41.25 40.14 3dhu s ASN 52 CO 0.03 0.02 1.43 -2.65 0.02 0.00 0.00 177.10 175.95 3dhu n PRO 53 N -0.72 2.25 -3.57 -0.60 -0.02 -1.26 -4.22 135.00 126.85 3dhu n PRO 53 Ca -0.08 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 61.82 3dhu n PRO 53 Cb 0.57 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 3dhu n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dhu s ILE 54 N -0.35 5.14 0.62 4.25 1.01 -1.26 -0.34 121.20 130.27 3dhu s ILE 54 Ca 0.63 0.70 -0.18 0.00 0.00 0.00 0.00 60.65 61.80 3dhu s ILE 54 Cb -0.58 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3dhu s ILE 54 CO 0.53 0.57 1.03 0.61 0.00 0.00 0.00 174.94 177.68 3dhu n GLY 55 N 1.97 -0.16 0.10 6.18 0.00 0.15 -4.68 105.19 108.74 3dhu n GLY 55 Ca -0.15 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 3dhu n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dhu n GLU 56 N -1.22 0.69 -2.00 1.61 1.02 -1.26 -4.62 120.64 114.86 3dhu n GLU 56 Ca 0.14 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 3dhu n GLU 56 Cb 0.48 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 3dhu n GLU 56 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dhu s VAL 57 N -2.40 3.20 -1.68 2.62 1.01 -1.26 -2.65 120.40 119.24 3dhu s VAL 57 Ca -0.23 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3dhu s VAL 57 Cb 0.07 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3dhu s VAL 57 CO 0.50 -0.00 0.00 0.59 0.00 0.00 0.00 175.10 176.19 3dhu n ASN 58 N 5.50 -5.40 -4.77 3.32 3.02 -1.26 -4.51 115.26 111.16 3dhu n ASN 58 Ca 0.15 0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 3dhu n ASN 58 Cb 0.41 -4.47 -0.01 0.00 -0.61 0.00 0.00 39.78 35.10 3dhu n ASN 58 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3dhu s ARG 59 N -4.68 4.15 -0.08 3.52 3.52 -1.08 -3.97 118.95 120.32 3dhu s ARG 59 Ca 0.00 2.52 -0.16 0.00 -0.13 0.00 0.00 55.73 57.96 3dhu s ARG 59 Cb 0.00 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.34 3dhu s ARG 59 CO 0.00 -0.52 0.41 0.15 -0.81 0.00 0.00 175.30 174.53 3dhu s LYS 60 N -1.51 4.17 2.07 5.12 1.02 -1.26 -4.98 119.74 124.37 3dhu s LYS 60 Ca 0.56 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.91 3dhu s LYS 60 Cb -0.46 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 33.50 3dhu s LYS 60 CO 0.57 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.78 3dhu n GLY 61 N 2.75 -0.72 0.11 -3.33 0.00 -1.26 -2.43 105.19 100.31 3dhu n GLY 61 Ca -0.11 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 3dhu n GLY 61 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dhu h THR 62 N 0.00 1.48 0.00 2.61 1.35 -1.90 -3.37 112.91 113.08 3dhu h THR 62 Ca 0.00 -1.81 -0.01 0.00 -0.55 0.00 0.00 66.41 64.04 3dhu h THR 62 Cb 0.00 2.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3dhu h THR 62 CO 0.00 0.50 -1.99 0.18 -0.25 0.00 0.00 175.52 173.97 3dhu n LEU 63 N -4.49 0.02 0.00 3.87 4.77 0.00 -5.04 117.00 116.14 3dhu n LEU 63 Ca -0.09 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3dhu n LEU 63 Cb 0.49 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3dhu n LEU 63 CO 0.40 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3dhu n GLY 64 N 1.27 -1.38 3.75 -0.72 0.00 -0.63 -4.92 105.19 102.57 3dhu n GLY 64 Ca -0.05 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 3dhu n GLY 64 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dhu s SER 65 N -3.35 7.61 0.42 1.61 0.15 -1.25 -4.39 113.70 114.50 3dhu s SER 65 Ca 0.00 1.90 0.28 0.00 0.70 0.00 0.00 55.95 58.83 3dhu s SER 65 Cb 0.00 -2.60 1.52 0.00 -1.71 0.00 0.00 66.02 63.23 3dhu s SER 65 CO 0.00 0.13 1.85 -0.65 1.20 0.00 0.00 173.24 175.77 3dhu h PRO 66 N 4.37 0.00 -0.00 5.44 0.11 -1.92 -1.40 132.00 138.60 3dhu h PRO 66 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dhu h PRO 66 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dhu h PRO 66 CO 0.68 0.00 -0.32 0.66 -0.21 0.00 0.00 178.00 178.82 3dhu n TYR 67 N -2.49 0.00 -3.26 0.65 4.01 -1.26 -4.41 117.16 110.40 3dhu n TYR 67 Ca -0.02 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.27 3dhu n TYR 67 Cb 0.06 -0.19 -0.01 0.00 -0.31 0.00 0.00 39.34 38.89 3dhu n TYR 67 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dhu s ALA 68 N -2.69 4.31 -0.13 -0.72 0.00 -0.53 -4.84 121.76 117.16 3dhu s ALA 68 Ca 0.20 -3.52 -0.16 0.00 0.00 0.00 0.00 51.96 48.48 3dhu s ALA 68 Cb 0.19 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 3dhu s ALA 68 CO 0.58 -2.35 0.39 0.42 0.00 0.00 0.00 175.76 174.79 3dhu s ILE 69 N -0.13 5.23 -0.07 0.00 1.01 -1.26 -0.68 121.20 125.30 3dhu s ILE 69 Ca 0.27 0.76 0.14 0.00 0.00 0.00 0.00 60.65 61.82 3dhu s ILE 69 Cb -0.09 -3.72 -0.23 0.00 0.01 0.00 0.00 42.46 38.43 3dhu s ILE 69 CO -0.08 0.38 0.56 1.17 0.00 0.00 0.00 174.94 176.97 3dhu n LYS 70 N 3.45 0.64 -3.57 2.79 4.81 0.54 -0.92 118.16 125.89 3dhu n LYS 70 Ca -0.10 0.24 -0.13 0.00 -0.87 0.00 0.00 58.31 57.45 3dhu n LYS 70 Cb 0.52 -1.74 -0.12 0.00 0.02 0.00 0.00 35.03 33.71 3dhu n LYS 70 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3dhu s ASP 71 N -5.98 0.47 0.48 3.14 2.15 -1.23 -0.85 116.67 114.85 3dhu s ASP 71 Ca -0.06 0.41 0.27 0.00 0.43 0.00 0.00 52.55 53.60 3dhu s ASP 71 Cb 0.08 0.79 1.15 0.00 -0.30 0.00 0.00 42.92 44.64 3dhu s ASP 71 CO 0.83 -0.27 1.92 1.88 -0.17 0.00 0.00 175.17 179.36 3dhu h TYR 72 N 8.26 0.00 -0.11 -5.34 0.05 -1.91 -3.12 116.97 114.80 3dhu h TYR 72 Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.62 3dhu h TYR 72 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 3dhu h TYR 72 CO 0.27 0.17 0.00 0.54 -1.05 0.00 0.00 178.16 178.08 3dhu n ARG 73 N -3.41 2.16 -3.39 4.88 1.74 -1.26 -4.99 116.66 112.40 3dhu n ARG 73 Ca -0.00 -1.71 -0.21 0.00 -0.77 0.00 0.00 57.85 55.16 3dhu n ARG 73 Cb 0.36 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3dhu n ARG 73 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dhu s GLY 74 N -1.86 2.05 -0.18 -0.13 0.00 -1.18 -5.12 107.32 100.91 3dhu s GLY 74 Ca 0.33 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 43.23 3dhu s GLY 74 CO 0.31 -1.70 -0.04 -0.42 0.00 0.00 0.00 173.10 171.25 3dhu s ILE 75 N -2.55 3.73 -0.18 0.90 -1.09 -1.26 -4.32 121.20 116.42 3dhu s ILE 75 Ca 0.50 -0.40 -0.34 0.00 -2.23 0.00 0.00 60.65 58.18 3dhu s ILE 75 Cb -0.05 -2.65 -0.11 0.00 -1.58 0.00 0.00 42.46 38.07 3dhu s ILE 75 CO 0.30 0.46 2.00 -3.20 -1.23 0.00 0.00 174.94 173.28 3dhu n ASN 76 N 3.99 3.06 0.30 3.58 2.85 0.42 -4.35 115.26 125.10 3dhu n ASN 76 Ca -0.17 0.73 0.17 0.00 -0.11 0.00 0.00 54.58 55.20 3dhu n ASN 76 Cb 0.52 -1.36 0.96 0.00 1.24 0.00 0.00 39.78 41.14 3dhu n ASN 76 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3dhu h PRO 77 N 10.77 0.00 -1.34 1.20 0.13 -1.90 0.94 132.00 141.79 3dhu h PRO 77 Ca -0.42 0.00 0.39 0.00 -0.87 0.00 0.00 66.00 65.10 3dhu h PRO 77 Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 3dhu h PRO 77 CO 0.97 0.03 0.99 0.93 -0.23 0.00 0.00 178.00 180.69 3dhu h GLU 78 N 0.00 0.00 -0.00 0.86 5.08 -1.94 -2.82 114.58 115.75 3dhu h GLU 78 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dhu h GLU 78 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3dhu h GLU 78 CO 0.00 0.00 -0.54 0.66 -1.00 0.00 0.00 179.01 178.13 3dhu n TYR 79 N -4.06 0.00 0.00 4.33 4.01 0.32 -4.47 117.16 117.29 3dhu n TYR 79 Ca 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 3dhu n TYR 79 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.45 3dhu n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dhu n GLY 80 N 1.25 0.24 3.67 2.72 0.00 -1.07 -0.89 105.19 111.12 3dhu n GLY 80 Ca 0.04 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.91 3dhu n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dhu s THR 81 N 0.00 1.98 0.22 2.61 -4.23 -1.26 -4.42 115.64 110.54 3dhu s THR 81 Ca 0.00 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 3dhu s THR 81 Cb 0.00 -2.89 0.17 0.00 1.34 0.00 0.00 72.50 71.11 3dhu s THR 81 CO 0.00 0.00 1.84 0.25 -0.54 0.00 0.00 174.62 176.17 3dhu h LEU 82 N 1.61 0.71 -0.81 4.79 6.46 -1.97 -1.73 115.31 124.37 3dhu h LEU 82 Ca -0.44 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.41 3dhu h LEU 82 Cb 1.25 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.99 3dhu h LEU 82 CO 0.77 0.47 0.48 0.00 -0.62 0.00 0.00 178.44 179.54 3dhu h ALA 83 N 1.35 1.12 -0.91 1.25 0.00 -1.98 0.35 119.26 120.43 3dhu h ALA 83 Ca 0.31 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3dhu h ALA 83 Cb 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3dhu h ALA 83 CO -0.15 0.19 0.55 -0.44 0.00 0.00 0.00 179.25 179.40 3dhu h ASP 84 N 0.87 1.09 -0.30 0.00 3.32 -1.80 0.67 116.42 120.26 3dhu h ASP 84 Ca 0.36 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3dhu h ASP 84 Cb 0.21 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3dhu h ASP 84 CO -0.19 0.83 0.08 0.15 -1.72 0.00 0.00 179.24 178.39 3dhu h PHE 85 N 1.25 0.51 -0.87 4.55 3.57 -0.29 -2.03 116.94 123.62 3dhu h PHE 85 Ca 0.33 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3dhu h PHE 85 Cb -0.06 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 3dhu h PHE 85 CO 0.00 0.54 0.50 -0.22 -2.23 0.00 0.00 178.31 176.90 3dhu h LYS 86 N 0.33 1.20 -0.97 1.11 3.64 -0.20 -0.70 116.57 120.98 3dhu h LYS 86 Ca 0.10 -0.13 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3dhu h LYS 86 Cb 0.28 -0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 3dhu h LYS 86 CO 0.00 0.86 0.63 0.00 -2.27 0.00 0.00 179.45 178.67 3dhu h ALA 87 N 1.27 1.46 -0.07 5.00 0.00 -0.75 -0.66 119.26 125.50 3dhu h ALA 87 Ca 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3dhu h ALA 87 Cb -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3dhu h ALA 87 CO -0.05 0.39 0.01 1.25 0.00 0.00 0.00 179.25 180.84 3dhu h LEU 88 N 1.11 0.11 -0.59 0.00 6.46 -0.43 -2.28 115.31 119.69 3dhu h LEU 88 Ca 0.42 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 3dhu h LEU 88 Cb 0.21 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 3dhu h LEU 88 CO -0.17 0.36 0.20 0.71 -0.62 0.00 0.00 178.44 178.92 3dhu h THR 89 N -0.14 1.24 -0.34 1.05 1.35 -0.91 -1.32 112.91 113.84 3dhu h THR 89 Ca 0.02 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3dhu h THR 89 Cb 0.30 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 67.34 3dhu h THR 89 CO 0.00 0.30 0.22 0.44 -0.25 0.00 0.00 175.52 176.23 3dhu h ASP 90 N 0.83 0.40 -0.53 5.36 3.32 -1.16 0.37 116.42 125.01 3dhu h ASP 90 Ca 0.19 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3dhu h ASP 90 Cb 0.26 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3dhu h ASP 90 CO -0.01 0.30 0.32 -0.09 -1.72 0.00 0.00 179.24 178.05 3dhu h ARG 91 N 0.45 0.71 -0.71 3.56 9.65 -1.20 0.05 114.38 126.89 3dhu h ARG 91 Ca 0.12 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 3dhu h ARG 91 Cb -0.03 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.37 3dhu h ARG 91 CO -0.03 0.50 0.32 0.00 2.80 0.00 0.00 179.97 183.57 3dhu h ALA 92 N 1.16 1.24 -0.11 2.80 0.00 -0.83 -1.18 119.26 122.34 3dhu h ALA 92 Ca 0.19 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 3dhu h ALA 92 Cb -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3dhu h ALA 92 CO -0.04 0.58 -0.75 0.45 0.00 0.00 0.00 179.25 179.49 3dhu h HIS 93 N 1.01 0.77 -0.93 0.00 3.86 -0.52 -0.36 115.15 118.98 3dhu h HIS 93 Ca 0.24 -0.34 0.10 0.00 -1.16 0.00 0.00 60.37 59.21 3dhu h HIS 93 Cb 0.13 -0.12 -0.08 0.00 1.06 0.00 0.00 27.41 28.40 3dhu h HIS 93 CO 0.01 1.13 0.57 0.93 0.86 0.00 0.00 177.93 181.43 3dhu h GLU 94 N 0.39 0.92 0.00 2.45 5.08 -0.53 -1.83 114.58 121.05 3dhu h GLU 94 Ca -0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3dhu h GLU 94 Cb 1.35 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3dhu h GLU 94 CO 0.14 0.61 0.00 1.28 -1.00 0.00 0.00 179.01 180.04 3dhu n LEU 95 N -4.65 0.00 -0.32 1.33 4.77 -0.49 -4.90 117.00 112.75 3dhu n LEU 95 Ca 0.16 0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 56.15 3dhu n LEU 95 Cb 0.29 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3dhu n LEU 95 CO 0.28 -0.00 -0.04 0.61 -1.33 0.00 0.00 177.39 176.91 3dhu n GLY 96 N 0.77 0.29 3.77 -0.72 0.00 -0.69 -5.05 105.19 103.56 3dhu n GLY 96 Ca 0.20 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 3dhu n GLY 96 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dhu s MET 97 N -3.93 2.81 0.04 1.61 -1.94 -0.18 -4.97 119.30 112.74 3dhu s MET 97 Ca 0.00 -0.89 -0.05 0.00 -1.71 0.00 0.00 55.69 53.04 3dhu s MET 97 Cb 0.00 -2.60 -0.05 0.00 2.01 0.00 0.00 34.83 34.19 3dhu s MET 97 CO 0.00 0.49 0.27 0.15 -0.01 0.00 0.00 175.02 175.92 3dhu s LYS 98 N -2.99 3.56 -0.14 2.03 1.02 0.19 -3.95 119.74 119.45 3dhu s LYS 98 Ca 0.30 -0.14 -0.04 0.00 0.02 0.00 0.00 55.97 56.11 3dhu s LYS 98 Cb -0.10 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3dhu s LYS 98 CO 0.22 0.61 -0.00 0.08 -0.92 0.00 0.00 175.35 175.34 3dhu s VAL 99 N -1.39 4.23 -0.06 3.17 1.01 -1.26 0.06 120.40 126.16 3dhu s VAL 99 Ca 0.31 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3dhu s VAL 99 Cb -0.13 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 3dhu s VAL 99 CO 0.19 0.52 -0.20 -0.32 0.00 0.00 0.00 175.10 175.30 3dhu s MET 100 N -0.05 2.19 0.22 2.72 1.75 0.13 -0.60 119.30 125.66 3dhu s MET 100 Ca 0.03 -0.71 0.06 0.00 -1.25 0.00 0.00 55.69 53.82 3dhu s MET 100 Cb -0.13 -1.82 -0.04 0.00 2.84 0.00 0.00 34.83 35.69 3dhu s MET 100 CO 0.02 0.24 0.22 -0.51 -0.65 0.00 0.00 175.02 174.34 3dhu s LEU 101 N 0.11 3.96 -0.27 4.11 1.43 -0.67 -1.18 118.68 126.18 3dhu s LEU 101 Ca -0.08 -0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 3dhu s LEU 101 Cb -0.14 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 3dhu s LEU 101 CO 0.04 -0.01 0.53 -0.62 0.23 0.00 0.00 176.35 176.52 3dhu s ASP 102 N -3.64 6.43 -0.21 2.29 -1.08 -1.17 0.61 116.67 119.90 3dhu s ASP 102 Ca 0.33 0.46 -0.07 0.00 -0.52 0.00 0.00 52.55 52.75 3dhu s ASP 102 Cb -0.09 -2.28 -0.03 0.00 -1.46 0.00 0.00 42.92 39.05 3dhu s ASP 102 CO 0.26 -0.33 0.06 -0.63 0.52 0.00 0.00 175.17 175.05 3dhu s ILE 103 N 2.35 4.51 -0.70 4.11 -1.09 0.20 -4.62 121.20 125.96 3dhu s ILE 103 Ca 0.21 -0.12 0.05 0.00 -2.23 0.00 0.00 60.65 58.56 3dhu s ILE 103 Cb -0.16 -3.07 0.23 0.00 -1.58 0.00 0.00 42.46 37.89 3dhu s ILE 103 CO 0.10 0.40 0.73 0.52 -1.23 0.00 0.00 174.94 175.45 3dhu n VAL 104 N 4.23 2.39 0.93 2.92 0.31 -1.26 -0.59 118.33 127.26 3dhu n VAL 104 Ca -0.16 -5.17 0.11 0.00 -0.01 0.00 0.00 64.34 59.11 3dhu n VAL 104 Cb 0.52 -2.14 0.31 0.00 -0.91 0.00 0.00 33.84 31.62 3dhu n VAL 104 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3dhu n TYR 105 N 1.27 0.27 0.09 3.52 4.02 -1.26 -4.00 117.16 121.06 3dhu n TYR 105 Ca 0.26 -0.14 -0.16 0.00 -0.01 0.00 0.00 57.90 57.86 3dhu n TYR 105 Cb 0.39 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.61 3dhu n TYR 105 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 3dhu h ASN 106 N 3.19 0.53 -5.05 7.72 -1.24 -1.91 -3.45 115.58 115.38 3dhu h ASN 106 Ca 0.00 -0.50 -0.05 0.00 0.71 0.00 0.00 56.30 56.46 3dhu h ASN 106 Cb 0.70 -0.17 -0.14 0.00 0.73 0.00 0.00 38.32 39.44 3dhu h ASN 106 CO 0.00 1.34 0.00 -1.38 -1.29 0.00 0.00 177.43 176.11 3dhu s HIS 107 N -2.94 -0.32 0.34 0.67 -3.43 -1.26 -1.58 115.29 106.78 3dhu s HIS 107 Ca -0.05 0.10 0.03 0.00 -0.80 0.00 0.00 55.06 54.34 3dhu s HIS 107 Cb 0.07 0.33 -0.05 0.00 -1.43 0.00 0.00 32.58 31.51 3dhu s HIS 107 CO 0.88 -0.71 0.08 0.95 -2.00 0.00 0.00 174.74 173.94 3dhu s THR 108 N -3.47 0.97 0.79 -5.38 -4.23 -0.73 -4.76 115.64 98.82 3dhu s THR 108 Ca 0.01 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 3dhu s THR 108 Cb 0.01 -2.65 0.07 0.00 1.34 0.00 0.00 72.50 71.27 3dhu s THR 108 CO -0.10 0.00 1.14 -0.94 -0.54 0.00 0.00 174.62 174.18 3dhu s SER 109 N -3.51 4.02 0.30 3.99 1.04 -0.10 -0.80 113.70 118.63 3dhu s SER 109 Ca 0.33 2.10 0.25 0.00 0.48 0.00 0.00 55.95 59.11 3dhu s SER 109 Cb 0.07 -2.56 1.02 0.00 0.10 0.00 0.00 66.02 64.65 3dhu s SER 109 CO 0.15 -2.37 1.76 -0.65 0.98 0.00 0.00 173.24 173.10 3dhu h PRO 110 N -0.99 0.00 -0.46 4.02 0.11 -1.79 -2.81 132.00 130.08 3dhu h PRO 110 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3dhu h PRO 110 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3dhu h PRO 110 CO 0.48 0.00 0.06 -0.40 -0.21 0.00 0.00 178.00 177.93 3dhu n ASP 111 N -2.37 4.45 -4.73 -2.05 5.75 -1.26 -4.76 116.55 111.58 3dhu n ASP 111 Ca 0.02 -3.12 -0.30 0.00 -0.01 0.00 0.00 54.79 51.39 3dhu n ASP 111 Cb 0.26 -0.64 0.13 0.00 -1.03 0.00 0.00 41.12 39.84 3dhu n ASP 111 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3dhu s SER 112 N -1.50 3.61 0.13 -1.12 1.04 -1.06 -4.81 113.70 109.98 3dhu s SER 112 Ca 0.49 1.41 -0.20 0.00 0.48 0.00 0.00 55.95 58.13 3dhu s SER 112 Cb 0.39 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 64.38 3dhu s SER 112 CO 0.11 -2.54 1.70 0.58 0.98 0.00 0.00 173.24 174.06 3dhu h VAL 113 N -1.48 0.77 -0.54 5.02 2.07 -1.34 -1.15 116.25 119.60 3dhu h VAL 113 Ca -0.49 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3dhu h VAL 113 Cb 1.29 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 3dhu h VAL 113 CO 0.56 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 178.24 3dhu h LEU 114 N -0.03 0.75 -1.10 2.57 3.38 -1.92 0.10 115.31 119.07 3dhu h LEU 114 Ca 0.10 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3dhu h LEU 114 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3dhu h LEU 114 CO -0.21 0.73 -0.39 0.00 0.09 0.00 0.00 178.44 178.66 3dhu h ALA 115 N 1.38 1.13 0.13 1.53 0.00 -1.70 0.66 119.26 122.39 3dhu h ALA 115 Ca 0.18 -0.35 -0.35 0.00 0.00 0.00 0.00 54.91 54.38 3dhu h ALA 115 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dhu h ALA 115 CO -0.01 0.49 -1.90 1.79 0.00 0.00 0.00 179.25 179.62 3dhu h THR 116 N 0.00 0.73 0.04 0.00 1.35 -0.66 -3.31 112.91 111.06 3dhu h THR 116 Ca -0.00 -2.43 -0.30 0.00 -0.55 0.00 0.00 66.41 63.13 3dhu h THR 116 Cb 0.81 2.57 -0.04 0.00 -1.73 0.00 0.00 68.15 69.76 3dhu h THR 116 CO 0.05 0.86 -1.68 -0.33 -0.25 0.00 0.00 175.52 174.17 3dhu h GLU 117 N 0.07 0.08 -2.07 4.72 5.08 -0.83 -3.41 114.58 118.23 3dhu h GLU 117 Ca -0.39 -0.14 -0.51 0.00 -1.00 0.00 0.00 59.36 57.32 3dhu h GLU 117 Cb 2.05 0.05 -0.40 0.00 0.50 0.00 0.00 28.75 30.94 3dhu h GLU 117 CO 0.11 0.75 -1.06 0.72 -1.00 0.00 0.00 179.01 178.53 3dhu n HIS 118 N -3.20 1.06 0.25 4.33 8.25 0.23 -4.93 115.22 121.20 3dhu n HIS 118 Ca -0.18 -3.85 0.14 0.00 -0.26 0.00 0.00 57.72 53.58 3dhu n HIS 118 Cb 1.04 -0.43 0.82 0.00 1.12 0.00 0.00 29.99 32.54 3dhu n HIS 118 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3dhu h PRO 119 N 3.11 0.00 0.00 -0.41 0.13 -1.63 -1.50 132.00 131.71 3dhu h PRO 119 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3dhu h PRO 119 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3dhu h PRO 119 CO 0.57 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.49 3dhu n GLU 120 N -4.03 0.31 -0.00 0.86 0.00 -1.26 -2.11 120.64 114.41 3dhu n GLU 120 Ca -0.01 0.08 0.13 0.00 0.00 0.00 0.00 57.16 57.37 3dhu n GLU 120 Cb 0.18 -1.50 0.41 0.00 0.00 0.00 0.00 31.44 30.52 3dhu n GLU 120 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3dhu n TRP 121 N -1.28 0.01 -3.95 -1.84 8.01 -0.56 -4.92 117.44 112.90 3dhu n TRP 121 Ca 0.10 -0.01 -0.21 0.00 -1.31 0.00 0.00 57.50 56.08 3dhu n TRP 121 Cb 0.17 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.44 3dhu n TRP 121 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 3dhu s PHE 122 N -1.99 3.29 0.41 -5.99 0.08 -0.89 -0.10 117.98 112.78 3dhu s PHE 122 Ca 0.35 -0.08 -0.25 0.00 0.12 0.00 0.00 56.93 57.07 3dhu s PHE 122 Cb 0.21 -1.58 -0.08 0.00 -0.57 0.00 0.00 43.02 41.00 3dhu s PHE 122 CO 0.32 0.40 1.23 0.71 -0.10 0.00 0.00 175.22 177.78 3dhu s TYR 123 N -2.06 2.93 -0.00 0.36 2.02 -0.54 -4.61 117.35 115.45 3dhu s TYR 123 Ca 0.35 1.49 0.04 0.00 -0.37 0.00 0.00 57.07 58.59 3dhu s TYR 123 Cb -0.09 -3.51 -0.01 0.00 -0.40 0.00 0.00 41.96 37.95 3dhu s TYR 123 CO 0.28 -1.68 -0.13 -1.01 -1.57 0.00 0.00 175.55 171.44 3dhu s HIS 124 N -1.36 1.16 0.00 2.71 3.76 -1.26 -3.42 115.29 116.88 3dhu s HIS 124 Ca 0.58 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 3dhu s HIS 124 Cb -0.34 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 32.62 3dhu s HIS 124 CO 0.43 -0.01 0.00 -0.40 -0.85 0.00 0.00 174.74 173.90 3dhu n ASP 125 N 2.64 0.00 -0.35 1.40 5.68 -0.68 -4.92 116.55 120.32 3dhu n ASP 125 Ca -0.15 -0.97 -0.03 0.00 -0.50 0.00 0.00 54.79 53.15 3dhu n ASP 125 Cb 0.55 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.63 3dhu n ASP 125 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dhu h ALA 126 N -1.15 1.19 0.00 2.12 0.00 -2.02 -1.89 119.26 117.52 3dhu h ALA 126 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dhu h ALA 126 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3dhu h ALA 126 CO 0.00 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 3dhu n ASP 127 N -4.38 0.09 -0.20 0.00 5.68 -1.26 -4.85 116.55 111.63 3dhu n ASP 127 Ca 0.10 -1.95 -0.03 0.00 -0.50 0.00 0.00 54.79 52.42 3dhu n ASP 127 Cb 0.05 -0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 3dhu n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dhu n GLY 128 N 0.43 0.46 3.78 6.12 0.00 -0.71 -5.01 105.19 110.26 3dhu n GLY 128 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3dhu n GLY 128 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhu s GLN 129 N -1.54 4.54 0.58 1.61 -1.52 -1.26 -4.82 119.66 117.26 3dhu s GLN 129 Ca 0.00 1.13 -0.18 0.00 -1.95 0.00 0.00 55.36 54.36 3dhu s GLN 129 Cb 0.00 -3.26 -0.07 0.00 -0.22 0.00 0.00 33.01 29.46 3dhu s GLN 129 CO 0.00 0.57 0.69 1.28 -0.25 0.00 0.00 175.29 177.58 3dhu n LEU 130 N 1.63 1.86 -4.15 2.90 4.77 -1.26 -1.69 117.00 121.06 3dhu n LEU 130 Ca -0.06 0.76 -0.14 0.00 -0.03 0.00 0.00 56.01 56.54 3dhu n LEU 130 Cb 0.49 -1.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.26 3dhu n LEU 130 CO 0.46 -2.62 -0.02 0.28 -1.33 0.00 0.00 177.39 174.17 3dhu s THR 131 N -1.64 0.00 -0.14 -5.08 -1.32 -1.22 -4.81 115.64 101.43 3dhu s THR 131 Ca 0.72 -1.77 -0.07 0.00 -1.21 0.00 0.00 61.69 59.35 3dhu s THR 131 Cb -0.43 -2.50 0.05 0.00 -1.51 0.00 0.00 72.50 68.11 3dhu s THR 131 CO 0.51 0.00 0.32 0.54 -2.21 0.00 0.00 174.62 173.79 3dhu s ASN 132 N -3.21 -0.33 0.22 8.08 4.22 -1.26 -0.44 114.94 122.22 3dhu s ASN 132 Ca 0.34 0.70 0.15 0.00 -2.14 0.00 0.00 52.86 51.91 3dhu s ASN 132 Cb 0.02 0.61 0.82 0.00 1.28 0.00 0.00 41.25 43.98 3dhu s ASN 132 CO 0.18 -0.18 1.47 2.29 -2.04 0.00 0.00 177.10 178.82 3dhu n LYS 133 N 4.35 0.10 -3.87 3.55 0.00 -1.26 -4.00 118.16 117.03 3dhu n LYS 133 Ca -0.23 0.59 -0.33 0.00 -0.00 0.00 0.00 58.31 58.33 3dhu n LYS 133 Cb 0.54 -1.82 -0.13 0.00 -0.00 0.00 0.00 35.03 33.62 3dhu n LYS 133 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3dhu s VAL 134 N -3.38 2.93 0.43 0.58 1.01 -1.26 -5.00 120.40 115.71 3dhu s VAL 134 Ca -0.01 -2.59 0.23 0.00 0.00 0.00 0.00 61.98 59.61 3dhu s VAL 134 Cb 0.05 -3.03 0.43 0.00 0.00 0.00 0.00 36.38 33.83 3dhu s VAL 134 CO 0.15 -0.72 1.77 1.23 0.00 0.00 0.00 175.10 177.53 3dhu h GLY 135 N 7.39 0.93 0.19 4.51 0.00 -2.01 0.12 103.07 114.20 3dhu h GLY 135 Ca -0.07 -0.15 0.24 0.00 0.00 0.00 0.00 47.33 47.35 3dhu h GLY 135 CO 0.65 -0.12 0.63 -1.80 0.00 0.00 0.00 176.54 175.90 3dhu h ASP 136 N 0.28 0.26 -1.37 0.19 -0.00 -1.94 -3.29 116.42 110.55 3dhu h ASP 136 Ca 0.60 0.03 -0.75 0.00 -0.00 0.00 0.00 57.03 56.91 3dhu h ASP 136 Cb 1.74 -0.01 -0.15 0.00 -0.00 0.00 0.00 39.33 40.91 3dhu h ASP 136 CO -0.24 0.09 2.11 0.79 -0.00 0.00 0.00 179.24 181.99 3dhu n TRP 137 N -4.43 2.78 0.64 0.28 8.01 0.42 -4.76 117.44 120.37 3dhu n TRP 137 Ca 0.20 -2.79 0.11 0.00 -1.31 0.00 0.00 57.50 53.71 3dhu n TRP 137 Cb 0.83 -1.88 0.45 0.00 -2.01 0.00 0.00 31.31 28.70 3dhu n TRP 137 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3dhu n SER 138 N 3.05 0.29 -0.61 -0.99 3.41 -1.24 -3.22 113.62 114.31 3dhu n SER 138 Ca 0.46 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.74 3dhu n SER 138 Cb 0.32 -0.62 0.38 0.00 -0.26 0.00 0.00 64.21 64.04 3dhu n SER 138 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3dhu n ASP 139 N -1.80 1.86 -3.85 4.04 5.75 -1.25 -4.87 116.55 116.43 3dhu n ASP 139 Ca 0.05 -1.70 -0.09 0.00 -0.01 0.00 0.00 54.79 53.03 3dhu n ASP 139 Cb 0.27 -0.09 -0.08 0.00 -1.03 0.00 0.00 41.12 40.20 3dhu n ASP 139 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3dhu s VAL 140 N -1.82 0.13 0.02 2.12 -7.23 -1.20 -4.13 120.40 108.29 3dhu s VAL 140 Ca 0.34 -1.08 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 3dhu s VAL 140 Cb 0.19 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 3dhu s VAL 140 CO 0.29 -0.59 -0.06 -0.54 -0.31 0.00 0.00 175.10 173.88 3dhu s LYS 141 N -3.45 0.43 -0.06 4.82 -0.14 0.02 -4.72 119.74 116.65 3dhu s LYS 141 Ca 0.02 -0.52 -0.20 0.00 -1.36 0.00 0.00 55.97 53.90 3dhu s LYS 141 Cb 0.03 -0.26 -0.05 0.00 -1.68 0.00 0.00 37.83 35.88 3dhu s LYS 141 CO -0.09 0.05 0.57 -0.51 -0.76 0.00 0.00 175.35 174.61 3dhu s ASP 142 N -1.04 6.87 0.35 2.83 1.11 0.42 -1.77 116.67 125.44 3dhu s ASP 142 Ca -0.07 1.03 -0.26 0.00 0.18 0.00 0.00 52.55 53.44 3dhu s ASP 142 Cb -0.07 -2.34 -0.09 0.00 1.07 0.00 0.00 42.92 41.48 3dhu s ASP 142 CO 0.00 0.02 1.02 -0.76 1.18 0.00 0.00 175.17 176.64 3dhu s LEU 143 N 0.30 4.28 -0.42 1.23 1.43 -0.62 -1.46 118.68 123.42 3dhu s LEU 143 Ca 0.30 2.01 -0.09 0.00 -1.03 0.00 0.00 54.13 55.32 3dhu s LEU 143 Cb -0.17 -4.03 0.08 0.00 0.03 0.00 0.00 46.19 42.10 3dhu s LEU 143 CO 0.15 -0.29 0.26 -0.62 0.23 0.00 0.00 176.35 176.08 3dhu s ASP 144 N -1.46 5.65 0.00 2.29 2.15 0.85 -4.67 116.67 121.48 3dhu s ASP 144 Ca 0.53 -1.48 0.21 0.00 0.43 0.00 0.00 52.55 52.23 3dhu s ASP 144 Cb -0.23 -1.99 1.08 0.00 -0.30 0.00 0.00 42.92 41.48 3dhu s ASP 144 CO 0.29 -0.53 1.65 -1.22 -0.17 0.00 0.00 175.17 175.18 3dhu n TYR 145 N 4.93 0.00 0.24 -5.34 4.01 -1.26 -1.80 117.16 117.93 3dhu n TYR 145 Ca -0.10 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.82 3dhu n TYR 145 Cb 0.43 -0.23 0.88 0.00 -0.31 0.00 0.00 39.34 40.10 3dhu n TYR 145 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3dhu h GLY 146 N 3.38 0.00 -7.13 2.72 0.00 -1.94 -3.37 103.07 96.74 3dhu h GLY 146 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 3dhu h GLY 146 CO 0.00 0.00 0.46 0.30 0.00 0.00 0.00 176.54 177.30 3dhu s HIS 147 N -4.52 2.85 0.38 5.60 3.76 -0.75 -4.93 115.29 117.69 3dhu s HIS 147 Ca -0.05 -0.12 0.13 0.00 -0.15 0.00 0.00 55.06 54.87 3dhu s HIS 147 Cb 0.14 -3.96 0.77 0.00 1.11 0.00 0.00 32.58 30.64 3dhu s HIS 147 CO 0.50 -1.28 1.86 1.25 -0.85 0.00 0.00 174.74 176.21 3dhu h HIS 148 N 9.24 0.02 -0.31 1.40 2.76 -1.88 -2.54 115.15 123.83 3dhu h HIS 148 Ca -0.26 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 57.95 3dhu h HIS 148 Cb 1.08 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 3dhu h HIS 148 CO 0.88 0.34 0.21 0.93 -1.30 0.00 0.00 177.93 178.99 3dhu h GLU 149 N 0.02 0.21 -0.33 5.26 3.07 -1.94 -1.59 114.58 119.27 3dhu h GLU 149 Ca -0.00 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 3dhu h GLU 149 Cb 0.59 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 3dhu h GLU 149 CO 0.04 0.14 0.22 1.25 -1.40 0.00 0.00 179.01 179.26 3dhu h LEU 150 N 0.21 0.32 -0.41 1.33 5.85 -1.83 -3.15 115.31 117.64 3dhu h LEU 150 Ca 0.14 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3dhu h LEU 150 Cb 0.27 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3dhu h LEU 150 CO -0.02 0.23 0.26 -0.50 -0.34 0.00 0.00 178.44 178.06 3dhu h TRP 151 N 0.38 0.48 0.00 1.25 4.06 -1.42 -2.15 115.95 118.55 3dhu h TRP 151 Ca 0.13 0.01 -0.11 0.00 2.06 0.00 0.00 58.89 60.99 3dhu h TRP 151 Cb 0.07 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 3dhu h TRP 151 CO -0.00 0.29 -0.50 0.37 -3.56 0.00 0.00 178.44 175.04 3dhu h GLN 152 N 0.52 0.00 -0.13 0.49 5.75 -1.69 -0.81 115.11 119.24 3dhu h GLN 152 Ca 0.16 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3dhu h GLN 152 Cb -0.03 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3dhu h GLN 152 CO -0.05 0.50 0.08 -0.92 -2.65 0.00 0.00 178.83 175.79 3dhu h TYR 153 N 0.00 0.16 -0.77 3.99 3.20 -1.56 0.68 116.97 122.67 3dhu h TYR 153 Ca -0.01 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 3dhu h TYR 153 Cb 0.96 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 3dhu h TYR 153 CO 0.00 0.13 0.31 1.96 -1.64 0.00 0.00 178.16 178.92 3dhu h GLN 154 N 0.15 1.15 -0.15 1.82 1.08 -0.71 -1.98 115.11 116.47 3dhu h GLN 154 Ca 0.05 -0.20 -0.17 0.00 -1.45 0.00 0.00 58.65 56.87 3dhu h GLN 154 Cb 0.01 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.26 3dhu h GLN 154 CO -0.01 0.93 -0.57 0.82 -0.95 0.00 0.00 178.83 179.05 3dhu h ILE 155 N 1.11 1.32 -0.58 2.54 2.04 -1.10 -2.89 117.51 119.95 3dhu h ILE 155 Ca 0.26 -1.83 0.03 0.00 1.00 0.00 0.00 64.86 64.32 3dhu h ILE 155 Cb 0.21 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 3dhu h ILE 155 CO -0.02 0.57 0.39 0.44 0.00 0.00 0.00 178.15 179.52 3dhu h ASP 156 N 0.33 0.61 -0.86 1.72 3.32 -0.59 0.54 116.42 121.49 3dhu h ASP 156 Ca -0.03 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3dhu h ASP 156 Cb 1.20 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 3dhu h ASP 156 CO 0.12 0.42 0.51 0.74 -1.72 0.00 0.00 179.24 179.31 3dhu h THR 157 N 0.71 1.24 -0.19 0.35 2.02 -1.16 -0.68 112.91 115.19 3dhu h THR 157 Ca 0.23 -0.55 -0.17 0.00 0.77 0.00 0.00 66.41 66.69 3dhu h THR 157 Cb 0.04 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3dhu h THR 157 CO -0.06 0.26 -0.53 -0.07 0.37 0.00 0.00 175.52 175.49 3dhu h LEU 158 N 1.19 0.80 -1.21 2.58 4.07 -1.00 -1.00 115.31 120.74 3dhu h LEU 158 Ca 0.31 -0.58 0.16 0.00 0.08 0.00 0.00 57.88 57.85 3dhu h LEU 158 Cb -0.03 -0.23 -0.08 0.00 1.08 0.00 0.00 40.66 41.40 3dhu h LEU 158 CO -0.06 1.24 0.60 -0.07 -1.08 0.00 0.00 178.44 179.07 3dhu h LEU 159 N 0.41 0.70 0.35 1.67 3.38 -0.70 0.43 115.31 121.55 3dhu h LEU 159 Ca -0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3dhu h LEU 159 Cb 1.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3dhu h LEU 159 CO 0.11 0.33 -0.17 0.22 0.09 0.00 0.00 178.44 179.02 3dhu h TYR 160 N 0.72 -0.44 0.00 1.13 3.20 -0.50 -3.15 116.97 117.93 3dhu h TYR 160 Ca 0.49 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.33 3dhu h TYR 160 Cb 0.77 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 3dhu h TYR 160 CO -0.00 -0.11 -0.09 -1.49 -1.64 0.00 0.00 178.16 174.83 3dhu h TRP 161 N -0.83 0.00 0.00 -3.82 4.06 -0.89 -2.62 115.95 111.84 3dhu h TRP 161 Ca -0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.90 3dhu h TRP 161 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 3dhu h TRP 161 CO 0.02 0.09 0.00 0.43 -3.56 0.00 0.00 178.44 175.42 3dhu n SER 162 N -3.80 0.00 0.24 -3.49 7.64 0.11 -0.82 113.62 113.52 3dhu n SER 162 Ca -0.02 0.40 0.09 0.00 1.01 0.00 0.00 58.87 60.35 3dhu n SER 162 Cb 0.18 -0.45 0.62 0.00 -1.01 0.00 0.00 64.21 63.56 3dhu n SER 162 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3dhu h GLN 163 N 0.00 0.00 0.00 1.43 4.20 -1.53 -3.33 115.11 115.87 3dhu h GLN 163 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3dhu h GLN 163 Cb 0.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3dhu h GLN 163 CO 0.00 0.16 -1.47 1.19 -0.67 0.00 0.00 178.83 178.04 3dhu n PHE 164 N -3.93 0.00 -4.66 2.96 3.72 0.00 -5.08 117.46 110.47 3dhu n PHE 164 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 3dhu n PHE 164 Cb 0.25 -0.33 -0.10 0.00 -0.94 0.00 0.00 39.48 38.36 3dhu n PHE 164 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3dhu s VAL 165 N -2.19 1.68 -0.27 -4.37 -7.23 -0.88 -4.88 120.40 102.26 3dhu s VAL 165 Ca -0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 3dhu s VAL 165 Cb 0.02 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.26 3dhu s VAL 165 CO 0.29 0.00 0.41 0.47 -0.31 0.00 0.00 175.10 175.95 3dhu n ASP 166 N -1.07 0.82 0.00 4.85 8.00 0.23 -4.67 116.55 124.71 3dhu n ASP 166 Ca -0.10 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.49 3dhu n ASP 166 Cb 0.67 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 3dhu n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dhu n GLY 167 N 0.50 0.00 3.02 0.44 0.00 -1.09 -1.92 105.19 106.14 3dhu n GLY 167 Ca 0.01 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 3dhu n GLY 167 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhu s TYR 168 N -2.00 0.76 -0.24 1.61 2.02 -0.35 -1.66 117.35 117.48 3dhu s TYR 168 Ca 0.00 -0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.48 3dhu s TYR 168 Cb 0.00 -0.48 -0.03 0.00 -0.40 0.00 0.00 41.96 41.05 3dhu s TYR 168 CO 0.00 -0.01 0.05 0.50 -1.57 0.00 0.00 175.55 174.52 3dhu s ARG 169 N -0.26 3.64 -0.42 -0.62 3.00 0.20 -0.82 118.95 123.67 3dhu s ARG 169 Ca 0.03 -0.49 -0.11 0.00 -1.00 0.00 0.00 55.73 54.15 3dhu s ARG 169 Cb -0.04 -3.26 0.06 0.00 0.00 0.00 0.00 34.95 31.71 3dhu s ARG 169 CO -0.00 -0.15 0.28 0.00 0.00 0.00 0.00 175.30 175.43 3dhu s ASP 171 N 2.04 6.44 -1.23 0.00 2.15 0.25 -1.72 116.67 124.59 3dhu s ASP 171 Ca 0.03 2.86 -0.05 0.00 0.43 0.00 0.00 52.55 55.82 3dhu s ASP 171 Cb -0.22 -2.63 0.05 0.00 -0.30 0.00 0.00 42.92 39.83 3dhu s ASP 171 CO 0.05 -0.87 0.13 1.33 -0.17 0.00 0.00 175.17 175.64 3dhu n VAL 172 N 2.56 -0.52 -0.33 1.11 0.24 -1.26 -4.45 118.33 115.68 3dhu n VAL 172 Ca 0.09 -0.26 0.22 0.00 -2.04 0.00 0.00 64.34 62.35 3dhu n VAL 172 Cb 0.38 -0.63 0.44 0.00 -1.47 0.00 0.00 33.84 32.55 3dhu n VAL 172 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dhu h ALA 173 N 1.12 1.81 0.00 2.33 0.00 -1.42 -1.18 119.26 121.91 3dhu h ALA 173 Ca -0.48 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dhu h ALA 173 Cb 1.04 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3dhu h ALA 173 CO 0.57 -0.56 0.00 -0.35 0.00 0.00 0.00 179.25 178.91 3dhu n PRO 174 N -5.10 0.69 0.12 0.00 -0.04 -1.26 -2.17 135.00 127.24 3dhu n PRO 174 Ca 0.30 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 3dhu n PRO 174 Cb 0.92 -1.47 0.19 0.00 -0.04 0.00 0.00 33.50 33.10 3dhu n PRO 174 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3dhu h LEU 175 N 0.00 0.00 -9.05 1.53 4.07 -1.43 -0.44 115.31 109.99 3dhu h LEU 175 Ca 0.00 -0.06 -0.64 0.00 0.08 0.00 0.00 57.88 57.25 3dhu h LEU 175 Cb 0.00 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 41.56 3dhu h LEU 175 CO 0.00 0.03 -0.63 -0.69 -1.08 0.00 0.00 178.44 176.08 3dhu s VAL 176 N -3.21 4.25 0.45 1.22 1.01 -0.92 -4.64 120.40 118.56 3dhu s VAL 176 Ca 0.06 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 3dhu s VAL 176 Cb 0.10 -2.85 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 3dhu s VAL 176 CO 0.69 0.52 1.19 -2.65 0.00 0.00 0.00 175.10 174.85 3dhu n PRO 177 N 3.10 1.68 -0.37 2.72 -0.02 -1.26 -4.81 135.00 136.03 3dhu n PRO 177 Ca -0.18 0.60 -0.01 0.00 -2.02 0.00 0.00 63.50 61.90 3dhu n PRO 177 Cb 0.53 -2.30 0.13 0.00 -0.02 0.00 0.00 33.50 31.83 3dhu n PRO 177 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3dhu h LEU 178 N 1.76 1.12 -1.64 2.45 5.85 -1.95 -1.55 115.31 121.35 3dhu h LEU 178 Ca -0.47 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.24 3dhu h LEU 178 Cb 1.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3dhu h LEU 178 CO 0.58 0.80 0.26 -2.24 -0.34 0.00 0.00 178.44 177.50 3dhu h ASP 179 N 1.32 0.41 0.11 1.25 3.04 -1.99 0.98 116.42 121.54 3dhu h ASP 179 Ca 0.38 -0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 54.15 3dhu h ASP 179 Cb -0.10 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.09 3dhu h ASP 179 CO -0.10 0.29 -0.05 0.15 -2.04 0.00 0.00 179.24 177.49 3dhu h PHE 180 N 0.48 -0.14 -0.79 4.15 3.57 -1.65 -2.22 116.94 120.35 3dhu h PHE 180 Ca 0.15 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.68 3dhu h PHE 180 Cb 0.01 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 3dhu h PHE 180 CO -0.00 0.15 0.52 -1.49 -2.23 0.00 0.00 178.31 175.26 3dhu h TRP 181 N -0.43 0.94 -0.64 0.41 -0.00 -0.95 0.24 115.95 115.52 3dhu h TRP 181 Ca -0.02 0.02 -0.06 0.00 -0.00 0.00 0.00 58.89 58.83 3dhu h TRP 181 Cb 0.35 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.16 29.17 3dhu h TRP 181 CO 0.02 0.54 0.15 -0.07 -0.00 0.00 0.00 178.44 179.08 3dhu h LEU 182 N 0.97 0.97 -0.17 -4.49 3.38 -0.81 -1.26 115.31 113.90 3dhu h LEU 182 Ca 0.32 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3dhu h LEU 182 Cb 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3dhu h LEU 182 CO -0.09 0.96 -0.19 -0.08 0.09 0.00 0.00 178.44 179.13 3dhu h GLU 183 N 0.95 0.43 0.03 1.13 4.57 -0.79 -1.64 114.58 119.26 3dhu h GLU 183 Ca 0.20 -0.23 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3dhu h GLU 183 Cb 0.37 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 3dhu h GLU 183 CO 0.00 0.80 -0.29 0.00 -1.18 0.00 0.00 179.01 178.34 3dhu h ALA 184 N 0.62 -0.44 -0.93 2.92 0.00 -0.90 -1.41 119.26 119.13 3dhu h ALA 184 Ca 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3dhu h ALA 184 Cb 0.73 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3dhu h ALA 184 CO 0.05 -0.81 0.61 -0.09 0.00 0.00 0.00 179.25 179.01 3dhu h ARG 185 N -0.46 1.17 -0.20 0.00 2.43 -1.23 -0.65 114.38 115.45 3dhu h ARG 185 Ca 0.05 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3dhu h ARG 185 Cb 0.53 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3dhu h ARG 185 CO -0.23 0.77 0.12 -0.22 -1.51 0.00 0.00 179.97 178.91 3dhu h LYS 186 N 1.20 0.27 -0.06 0.20 3.64 -0.65 0.17 116.57 121.34 3dhu h LYS 186 Ca 0.36 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.50 3dhu h LYS 186 Cb -0.04 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3dhu h LYS 186 CO -0.10 0.21 -0.82 1.96 -2.27 0.00 0.00 179.45 178.43 3dhu h GLN 187 N 0.24 0.66 0.08 1.90 4.20 -1.00 -1.98 115.11 119.23 3dhu h GLN 187 Ca 0.07 -0.63 -0.00 0.00 0.06 0.00 0.00 58.65 58.14 3dhu h GLN 187 Cb 0.01 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3dhu h GLN 187 CO -0.01 1.24 -0.04 0.28 -0.67 0.00 0.00 178.83 179.62 3dhu h VAL 188 N 0.32 1.15 0.00 -0.54 2.07 -1.07 -3.07 116.25 115.11 3dhu h VAL 188 Ca -0.09 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3dhu h VAL 188 Cb 1.48 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 3dhu h VAL 188 CO 0.17 0.22 0.00 0.59 0.02 0.00 0.00 177.57 178.56 3dhu n ASN 189 N -4.95 0.04 -0.12 0.57 4.13 0.60 0.00 115.26 115.54 3dhu n ASN 189 Ca -0.08 0.51 -0.09 0.00 1.68 0.00 0.00 54.58 56.59 3dhu n ASN 189 Cb 0.23 -0.52 0.05 0.00 -1.54 0.00 0.00 39.78 38.00 3dhu n ASN 189 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dhu h ALA 190 N 2.66 0.79 0.00 5.41 0.00 -1.26 -2.97 119.26 123.89 3dhu h ALA 190 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 54.91 54.26 3dhu h ALA 190 Cb 0.35 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3dhu h ALA 190 CO 0.00 0.65 -1.89 0.36 0.00 0.00 0.00 179.25 178.38 3dhu n LYS 191 N -4.11 0.65 -3.46 0.00 2.85 -0.71 -4.71 118.16 108.67 3dhu n LYS 191 Ca 0.00 0.14 -0.27 0.00 -1.05 0.00 0.00 58.31 57.13 3dhu n LYS 191 Cb 0.45 -1.69 -0.10 0.00 -0.65 0.00 0.00 35.03 33.05 3dhu n LYS 191 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3dhu n TYR 192 N -2.85 0.18 0.28 5.58 4.01 0.10 -5.01 117.16 119.45 3dhu n TYR 192 Ca -0.20 -3.58 0.16 0.00 -0.16 0.00 0.00 57.90 54.13 3dhu n TYR 192 Cb 1.00 -0.04 0.81 0.00 -0.31 0.00 0.00 39.34 40.79 3dhu n TYR 192 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3dhu h PRO 193 N 5.25 0.00 -0.00 -0.72 0.13 -1.76 -2.33 132.00 132.57 3dhu h PRO 193 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3dhu h PRO 193 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3dhu h PRO 193 CO 0.47 0.00 -0.38 0.39 -0.23 0.00 0.00 178.00 178.26 3dhu n GLU 194 N -2.66 0.39 -1.67 0.86 4.71 -1.26 -4.93 120.64 116.08 3dhu n GLU 194 Ca -0.01 -0.23 -0.49 0.00 -0.01 0.00 0.00 57.16 56.42 3dhu n GLU 194 Cb 0.12 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.00 3dhu n GLU 194 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3dhu n THR 195 N -1.11 0.33 -3.35 2.62 -1.04 -0.88 -4.95 114.28 105.91 3dhu n THR 195 Ca 0.09 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.74 3dhu n THR 195 Cb 0.34 -1.62 -0.04 0.00 -1.82 0.00 0.00 70.33 67.19 3dhu n THR 195 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dhu s LEU 196 N 2.76 4.10 -0.05 -4.42 1.43 -0.81 -4.97 118.68 116.72 3dhu s LEU 196 Ca 0.88 0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 54.79 3dhu s LEU 196 Cb -0.75 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 41.88 3dhu s LEU 196 CO 0.48 -0.15 0.04 0.26 0.23 0.00 0.00 176.35 177.22 3dhu s TRP 197 N -1.97 0.24 -0.11 0.29 0.52 -1.26 -1.21 118.94 115.44 3dhu s TRP 197 Ca 0.46 0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.71 3dhu s TRP 197 Cb -0.11 -0.58 -0.01 0.00 -1.15 0.00 0.00 33.47 31.62 3dhu s TRP 197 CO 0.26 -0.24 -0.16 -1.17 0.02 0.00 0.00 176.95 175.67 3dhu s LEU 198 N 2.11 2.59 -0.18 2.99 2.96 -0.00 -1.13 118.68 128.03 3dhu s LEU 198 Ca 0.05 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 3dhu s LEU 198 Cb -0.12 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3dhu s LEU 198 CO -0.04 0.20 0.02 0.00 -1.32 0.00 0.00 176.35 175.20 3dhu s ALA 199 N 0.16 3.19 -0.98 5.97 0.00 0.24 -0.40 121.76 129.94 3dhu s ALA 199 Ca -0.08 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 50.82 3dhu s ALA 199 Cb -0.15 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.22 3dhu s ALA 199 CO 0.05 0.13 1.63 -2.00 0.00 0.00 0.00 175.76 175.57 3dhu s GLU 200 N 0.49 3.22 0.82 0.00 2.12 -0.70 -2.11 118.70 122.54 3dhu s GLU 200 Ca 0.00 -0.84 -0.12 0.00 0.36 0.00 0.00 54.97 54.37 3dhu s GLU 200 Cb -0.13 -5.26 0.08 0.00 0.26 0.00 0.00 34.13 29.08 3dhu s GLU 200 CO 0.02 -2.64 1.11 -1.54 -0.54 0.00 0.00 175.26 171.67 3dhu s SER 201 N 6.06 4.33 0.45 -1.70 1.04 -1.26 -3.07 113.70 119.54 3dhu s SER 201 Ca 0.55 1.18 0.07 0.00 0.48 0.00 0.00 55.95 58.23 3dhu s SER 201 Cb -0.02 -1.87 -0.01 0.00 0.10 0.00 0.00 66.02 64.22 3dhu s SER 201 CO -0.06 -2.06 0.39 0.00 0.98 0.00 0.00 173.24 172.49 3dhu s ALA 202 N -3.22 4.13 0.47 5.32 0.00 -1.26 -4.72 121.76 122.47 3dhu s ALA 202 Ca 0.61 -1.80 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 3dhu s ALA 202 Cb -0.14 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 3dhu s ALA 202 CO 0.54 -0.30 0.83 0.20 0.00 0.00 0.00 175.76 177.02 3dhu s GLY 203 N -4.17 1.77 0.39 0.00 0.00 -1.26 -4.22 107.32 99.84 3dhu s GLY 203 Ca 0.45 -0.25 0.07 0.00 0.00 0.00 0.00 44.72 45.00 3dhu s GLY 203 CO 0.27 -0.05 2.01 1.48 0.00 0.00 0.00 173.10 176.81 3dhu h SER 204 N 0.69 0.53 -0.74 1.64 4.64 -1.92 -1.63 113.55 116.77 3dhu h SER 204 Ca -0.47 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3dhu h SER 204 Cb 1.19 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 3dhu h SER 204 CO 0.63 0.37 0.47 1.23 -0.87 0.00 0.00 176.83 178.65 3dhu h GLY 205 N 0.62 1.05 0.64 -0.77 0.00 -1.99 -1.32 103.07 101.30 3dhu h GLY 205 Ca 0.23 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 3dhu h GLY 205 CO -0.06 0.40 -0.21 -2.75 0.00 0.00 0.00 176.54 173.92 3dhu h PHE 206 N 1.00 0.36 -0.39 5.60 3.57 -1.71 -1.79 116.94 123.58 3dhu h PHE 206 Ca 0.27 -0.14 0.08 0.00 3.53 0.00 0.00 57.97 61.71 3dhu h PHE 206 Cb -0.09 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 38.50 3dhu h PHE 206 CO -0.02 0.82 -0.23 0.82 -2.23 0.00 0.00 178.31 177.47 3dhu h ILE 207 N -0.21 0.37 -0.54 1.41 2.04 -1.42 -0.70 117.51 118.46 3dhu h ILE 207 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3dhu h ILE 207 Cb 0.82 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3dhu h ILE 207 CO 0.04 0.00 0.22 -0.33 0.00 0.00 0.00 178.15 178.09 3dhu h GLU 208 N -0.16 0.41 -0.54 2.37 4.39 -1.21 -0.60 114.58 119.24 3dhu h GLU 208 Ca 0.19 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.93 3dhu h GLU 208 Cb 0.46 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 3dhu h GLU 208 CO -0.49 0.27 0.22 0.93 -1.16 0.00 0.00 179.01 178.79 3dhu h GLU 209 N 0.42 0.41 -0.09 2.33 4.39 -0.60 0.20 114.58 121.65 3dhu h GLU 209 Ca 0.26 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 3dhu h GLU 209 Cb 0.25 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3dhu h GLU 209 CO -0.24 0.27 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.81 3dhu h LEU 210 N 0.43 0.17 -0.76 1.33 3.38 -0.66 -2.95 115.31 116.25 3dhu h LEU 210 Ca 0.25 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3dhu h LEU 210 Cb 0.25 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3dhu h LEU 210 CO -0.23 0.47 0.44 0.03 0.09 0.00 0.00 178.44 179.24 3dhu h ARG 211 N -0.13 1.04 0.00 1.13 3.08 -0.93 0.32 114.38 118.88 3dhu h ARG 211 Ca 0.02 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3dhu h ARG 211 Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3dhu h ARG 211 CO 0.01 0.75 0.00 -1.13 -1.07 0.00 0.00 179.97 178.53 3dhu n SER 212 N -4.48 0.55 -0.59 7.04 3.41 0.69 -0.85 113.62 119.39 3dhu n SER 212 Ca 0.07 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.44 3dhu n SER 212 Cb 0.07 -0.77 0.03 0.00 -0.26 0.00 0.00 64.21 63.28 3dhu n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dhu n GLN 213 N -2.14 1.61 -0.39 4.33 1.13 -1.06 -5.00 117.38 115.86 3dhu n GLN 213 Ca 0.01 -1.23 0.00 0.00 -1.94 0.00 0.00 57.00 53.84 3dhu n GLN 213 Cb 0.17 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.13 3dhu n GLN 213 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dhu n GLY 214 N 1.24 0.80 3.95 1.08 0.00 -0.03 -5.07 105.19 107.15 3dhu n GLY 214 Ca 0.10 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3dhu n GLY 214 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhu s TYR 215 N -2.00 3.49 0.16 1.61 2.02 0.05 -4.98 117.35 117.70 3dhu s TYR 215 Ca 0.00 0.26 -0.34 0.00 -0.37 0.00 0.00 57.07 56.62 3dhu s TYR 215 Cb 0.00 -1.82 -0.14 0.00 -0.40 0.00 0.00 41.96 39.60 3dhu s TYR 215 CO 0.00 0.20 1.57 2.41 -1.57 0.00 0.00 175.55 178.16 3dhu n THR 216 N -1.70 0.00 -3.39 -0.71 -1.04 -1.26 -3.68 114.28 102.50 3dhu n THR 216 Ca -0.06 -0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.76 3dhu n THR 216 Cb 0.56 -1.53 -0.09 0.00 -1.82 0.00 0.00 70.33 67.46 3dhu n THR 216 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3dhu s GLY 217 N 0.90 0.11 0.28 3.41 0.00 -1.23 -4.47 107.32 106.32 3dhu s GLY 217 Ca 0.79 -0.98 -0.29 0.00 0.00 0.00 0.00 44.72 44.24 3dhu s GLY 217 CO 0.38 2.59 1.10 1.08 0.00 0.00 0.00 173.10 178.24 3dhu s LEU 218 N 1.61 4.55 0.89 0.66 1.43 -0.18 -4.89 118.68 122.76 3dhu s LEU 218 Ca 0.15 2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 55.39 3dhu s LEU 218 Cb -0.16 -3.63 0.13 0.00 0.03 0.00 0.00 46.19 42.55 3dhu s LEU 218 CO -0.11 -0.14 1.11 -0.94 0.23 0.00 0.00 176.35 176.50 3dhu s SER 219 N -0.89 3.60 0.31 2.29 1.04 -1.26 -4.77 113.70 114.02 3dhu s SER 219 Ca 0.45 1.21 0.01 0.00 0.48 0.00 0.00 55.95 58.10 3dhu s SER 219 Cb -0.32 -1.87 0.51 0.00 0.10 0.00 0.00 66.02 64.45 3dhu s SER 219 CO 0.41 -2.52 1.87 0.44 0.98 0.00 0.00 173.24 174.41 3dhu h ASP 220 N -1.47 0.65 0.45 7.02 5.19 -1.96 -2.20 116.42 124.10 3dhu h ASP 220 Ca -0.50 -0.11 -0.17 0.00 -0.62 0.00 0.00 57.03 55.63 3dhu h ASP 220 Cb 1.30 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3dhu h ASP 220 CO 0.59 0.65 -0.74 0.28 -3.12 0.00 0.00 179.24 176.90 3dhu h SER 221 N 0.68 0.29 -0.42 6.45 0.02 -1.92 -1.36 113.55 117.30 3dhu h SER 221 Ca 0.15 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 3dhu h SER 221 Cb 0.27 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3dhu h SER 221 CO -0.00 0.93 0.03 -0.33 -1.14 0.00 0.00 176.83 176.32 3dhu h GLU 222 N 0.16 0.72 -0.76 3.45 5.08 -1.89 -2.85 114.58 118.49 3dhu h GLU 222 Ca -0.03 -0.21 0.11 0.00 -1.00 0.00 0.00 59.36 58.23 3dhu h GLU 222 Cb 1.31 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.40 3dhu h GLU 222 CO 0.12 0.78 0.38 -0.07 -1.00 0.00 0.00 179.01 179.22 3dhu h LEU 223 N 0.56 0.49 -2.32 1.33 3.38 -1.03 -0.89 115.31 116.84 3dhu h LEU 223 Ca 0.12 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3dhu h LEU 223 Cb 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dhu h LEU 223 CO 0.02 0.26 0.09 1.88 0.09 0.00 0.00 178.44 180.77 3dhu h TYR 224 N 0.62 0.00 0.00 1.13 0.05 -1.01 0.19 116.97 117.95 3dhu h TYR 224 Ca 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.15 3dhu h TYR 224 Cb 0.44 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 3dhu h TYR 224 CO -0.10 0.00 -0.06 1.96 -1.05 0.00 0.00 178.16 178.90 3dhu h GLN 225 N 0.00 0.00 0.00 4.88 4.20 -1.11 -3.27 115.11 119.82 3dhu h GLN 225 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dhu h GLN 225 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3dhu h GLN 225 CO 0.00 0.06 -0.25 0.00 -0.67 0.00 0.00 178.83 177.97 3dhu n ALA 226 N -2.46 2.03 -2.37 3.87 0.00 -0.04 -5.00 120.51 116.54 3dhu n ALA 226 Ca -0.03 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 3dhu n ALA 226 Cb 0.15 -0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 3dhu n ALA 226 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dhu s PHE 227 N -1.26 2.38 0.13 0.00 0.08 0.45 -4.90 117.98 114.86 3dhu s PHE 227 Ca 0.00 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.68 3dhu s PHE 227 Cb 0.00 -1.42 -0.13 0.00 -0.57 0.00 0.00 43.02 40.91 3dhu s PHE 227 CO 0.01 0.14 1.29 -0.44 -0.10 0.00 0.00 175.22 176.12 3dhu h ASP 228 N 4.80 0.27 -4.43 1.36 3.32 -1.42 -3.40 116.42 116.92 3dhu h ASP 228 Ca -0.47 -0.25 -0.21 0.00 0.02 0.00 0.00 57.03 56.13 3dhu h ASP 228 Cb 1.14 -0.09 -0.24 0.00 0.22 0.00 0.00 39.33 40.37 3dhu h ASP 228 CO 0.45 1.12 -0.71 -0.04 -1.72 0.00 0.00 179.24 178.33 3dhu s MET 229 N -2.96 0.21 0.30 3.56 -1.94 -0.62 -3.81 119.30 114.03 3dhu s MET 229 Ca -0.03 -0.36 0.07 0.00 -1.71 0.00 0.00 55.69 53.67 3dhu s MET 229 Cb 0.09 0.02 -0.06 0.00 2.01 0.00 0.00 34.83 36.89 3dhu s MET 229 CO 0.84 -0.02 -0.07 0.95 -0.01 0.00 0.00 175.02 176.72 3dhu s THR 230 N -0.82 1.83 0.50 2.05 -4.23 -1.12 -0.59 115.64 113.26 3dhu s THR 230 Ca -0.09 -2.15 -0.20 0.00 -1.18 0.00 0.00 61.69 58.08 3dhu s THR 230 Cb -0.06 -2.52 -0.08 0.00 1.34 0.00 0.00 72.50 71.19 3dhu s THR 230 CO -0.00 -0.26 1.04 -0.31 -0.54 0.00 0.00 174.62 174.54 3dhu s TYR 231 N -2.89 3.02 0.00 3.99 1.51 -0.90 -0.98 117.35 121.10 3dhu s TYR 231 Ca 0.31 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.93 3dhu s TYR 231 Cb 0.03 -3.04 0.00 0.00 -0.11 0.00 0.00 41.96 38.84 3dhu s TYR 231 CO 0.13 -0.84 0.67 -0.25 -1.11 0.00 0.00 175.55 174.16 3dhu n ASP 232 N -1.12 1.92 0.00 2.29 9.92 -0.95 -4.28 116.55 124.33 3dhu n ASP 232 Ca 0.09 -1.24 0.13 0.00 -0.53 0.00 0.00 54.79 53.24 3dhu n ASP 232 Cb 0.53 -0.36 0.65 0.00 -0.64 0.00 0.00 41.12 41.30 3dhu n ASP 232 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3dhu n TYR 233 N 1.03 0.00 0.39 1.24 4.01 -1.26 -0.16 117.16 122.40 3dhu n TYR 233 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 3dhu n TYR 233 Cb 0.26 -0.35 0.45 0.00 -0.31 0.00 0.00 39.34 39.40 3dhu n TYR 233 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3dhu h ASP 234 N 0.00 0.00 0.00 7.72 2.03 -1.74 -3.38 116.42 121.04 3dhu h ASP 234 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3dhu h ASP 234 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 3dhu h ASP 234 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.54 3dhu n VAL 235 N -2.65 0.00 -0.26 4.15 0.24 -0.78 -4.84 118.33 114.19 3dhu n VAL 235 Ca 0.03 -0.08 0.06 0.00 -2.04 0.00 0.00 64.34 62.30 3dhu n VAL 235 Cb 0.36 1.04 0.19 0.00 -1.47 0.00 0.00 33.84 33.97 3dhu n VAL 235 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3dhu h PHE 236 N 0.00 0.49 -0.47 6.34 3.57 -0.73 0.82 116.94 126.96 3dhu h PHE 236 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3dhu h PHE 236 Cb 0.02 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3dhu h PHE 236 CO 0.00 0.04 0.14 0.78 -2.23 0.00 0.00 178.31 177.04 3dhu h GLY 237 N 0.42 0.73 1.03 2.40 0.00 -1.84 -0.41 103.07 105.41 3dhu h GLY 237 Ca 0.42 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 3dhu h GLY 237 CO -0.42 0.36 -0.29 -0.55 0.00 0.00 0.00 176.54 175.63 3dhu h ASP 238 N 0.67 0.86 -0.28 0.19 3.32 -1.52 0.20 116.42 119.86 3dhu h ASP 238 Ca 0.16 -0.45 0.06 0.00 0.02 0.00 0.00 57.03 56.81 3dhu h ASP 238 Cb 0.20 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 3dhu h ASP 238 CO -0.01 1.13 -0.10 0.15 -1.72 0.00 0.00 179.24 178.69 3dhu h PHE 239 N 0.59 -0.24 -0.74 4.55 3.57 -0.56 -1.79 116.94 122.32 3dhu h PHE 239 Ca 0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3dhu h PHE 239 Cb 0.87 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 3dhu h PHE 239 CO 0.07 -0.16 0.34 0.87 -2.23 0.00 0.00 178.31 177.19 3dhu h LYS 240 N -0.05 1.07 -0.88 1.11 1.57 -0.86 0.12 116.57 118.66 3dhu h LYS 240 Ca 0.14 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3dhu h LYS 240 Cb 0.26 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3dhu h LYS 240 CO -0.32 0.84 0.47 -0.44 -0.57 0.00 0.00 179.45 179.43 3dhu h ASP 241 N 1.06 1.10 -0.05 0.86 3.32 -0.75 -0.06 116.42 121.90 3dhu h ASP 241 Ca 0.26 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3dhu h ASP 241 Cb 0.13 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3dhu h ASP 241 CO -0.03 0.89 0.02 0.22 -1.72 0.00 0.00 179.24 178.62 3dhu h TYR 242 N 1.23 0.08 -0.34 4.55 3.20 -0.90 0.26 116.97 125.05 3dhu h TYR 242 Ca 0.31 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3dhu h TYR 242 Cb 0.04 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3dhu h TYR 242 CO 0.01 0.22 0.15 2.35 -1.64 0.00 0.00 178.16 179.25 3dhu h TRP 243 N -0.09 0.45 -0.32 -3.82 2.91 -0.39 -1.75 115.95 112.95 3dhu h TRP 243 Ca 0.02 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.03 3dhu h TRP 243 Cb 0.17 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 3dhu h TRP 243 CO -0.02 0.35 0.00 1.04 -1.03 0.00 0.00 178.44 178.79 3dhu n GLN 244 N -4.42 1.89 -1.00 2.65 6.02 -0.07 -4.93 117.38 117.52 3dhu n GLN 244 Ca 0.02 -1.36 -0.00 0.00 -0.01 0.00 0.00 57.00 55.64 3dhu n GLN 244 Cb 0.12 -1.35 -0.00 0.00 1.02 0.00 0.00 30.24 30.04 3dhu n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dhu n GLY 245 N 1.15 0.47 0.12 1.08 0.00 -0.66 -4.90 105.19 102.46 3dhu n GLY 245 Ca 0.15 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3dhu n GLY 245 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dhu n ARG 246 N -2.97 0.30 -4.15 1.61 1.74 0.79 -4.92 116.66 109.06 3dhu n ARG 246 Ca -0.00 -0.24 -0.12 0.00 -0.77 0.00 0.00 57.85 56.72 3dhu n ARG 246 Cb 0.00 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 3dhu n ARG 246 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3dhu s SER 247 N -2.87 1.14 0.35 0.55 0.15 -0.39 -4.88 113.70 107.74 3dhu s SER 247 Ca 0.11 -0.88 0.02 0.00 0.70 0.00 0.00 55.95 55.91 3dhu s SER 247 Cb 0.17 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.52 3dhu s SER 247 CO 0.77 -0.38 0.53 0.42 1.20 0.00 0.00 173.24 175.78 3dhu s THR 248 N -2.95 4.76 0.38 6.45 -4.23 -1.26 -4.37 115.64 114.42 3dhu s THR 248 Ca 0.06 -0.65 0.07 0.00 -1.18 0.00 0.00 61.69 60.00 3dhu s THR 248 Cb 0.01 -3.72 0.20 0.00 1.34 0.00 0.00 72.50 70.33 3dhu s THR 248 CO -0.03 -0.41 1.96 1.62 -0.54 0.00 0.00 174.62 177.22 3dhu h VAL 249 N 0.78 1.15 -0.25 2.29 3.04 -1.93 -1.08 116.25 120.24 3dhu h VAL 249 Ca -0.49 -0.56 -0.03 0.00 -1.01 0.00 0.00 66.70 64.61 3dhu h VAL 249 Cb 1.23 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 3dhu h VAL 249 CO 0.59 0.20 0.03 -0.33 -1.01 0.00 0.00 177.57 177.05 3dhu h GLU 250 N 0.40 0.42 -0.33 4.17 3.07 -1.96 0.19 114.58 120.55 3dhu h GLU 250 Ca 0.10 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3dhu h GLU 250 Cb 0.21 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 3dhu h GLU 250 CO 0.00 0.56 0.19 -0.09 -1.40 0.00 0.00 179.01 178.27 3dhu h ARG 251 N 0.23 0.45 0.09 2.33 2.43 -1.85 -1.84 114.38 116.22 3dhu h ARG 251 Ca 0.08 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3dhu h ARG 251 Cb 0.35 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3dhu h ARG 251 CO 0.01 0.36 -0.04 -0.92 -1.51 0.00 0.00 179.97 177.86 3dhu h TYR 252 N 0.42 -0.11 -0.22 2.20 3.20 -0.94 -1.95 116.97 119.57 3dhu h TYR 252 Ca 0.12 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 3dhu h TYR 252 Cb 0.03 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3dhu h TYR 252 CO -0.04 0.03 -0.11 0.28 -1.64 0.00 0.00 178.16 176.68 3dhu h VAL 253 N -0.23 1.20 -0.76 1.81 2.07 -0.96 -1.86 116.25 117.52 3dhu h VAL 253 Ca -0.01 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 3dhu h VAL 253 Cb 0.19 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3dhu h VAL 253 CO 0.02 0.28 0.36 -0.78 0.02 0.00 0.00 177.57 177.47 3dhu h ASP 254 N 0.34 1.01 -0.83 0.57 3.58 -1.09 0.29 116.42 120.29 3dhu h ASP 254 Ca 0.07 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 3dhu h ASP 254 Cb 0.41 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 3dhu h ASP 254 CO 0.02 0.86 0.39 -0.07 -2.88 0.00 0.00 179.24 177.57 3dhu h LEU 255 N 1.08 1.10 -0.93 2.28 3.38 -0.65 -0.29 115.31 121.28 3dhu h LEU 255 Ca 0.26 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3dhu h LEU 255 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3dhu h LEU 255 CO -0.03 0.93 0.00 -0.07 0.09 0.00 0.00 178.44 179.36 3dhu h LEU 256 N 1.19 0.75 -0.53 1.67 3.38 -0.75 0.18 115.31 121.21 3dhu h LEU 256 Ca 0.29 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3dhu h LEU 256 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3dhu h LEU 256 CO -0.03 0.82 0.11 1.56 0.09 0.00 0.00 178.44 180.98 3dhu h GLN 257 N 0.73 0.86 -0.46 1.13 4.20 -0.79 -1.09 115.11 119.70 3dhu h GLN 257 Ca 0.14 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3dhu h GLN 257 Cb 0.45 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3dhu h GLN 257 CO 0.02 0.83 0.21 0.00 -0.67 0.00 0.00 178.83 179.21 3dhu h ARG 258 N 0.75 0.67 -0.37 1.46 3.08 -0.62 -3.05 114.38 116.30 3dhu h ARG 258 Ca 0.16 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.16 3dhu h ARG 258 Cb 0.37 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 3dhu h ARG 258 CO 0.01 0.58 0.08 0.37 -1.07 0.00 0.00 179.97 179.94 3dhu h GLN 259 N 0.60 0.21 -0.23 0.04 4.15 -0.45 -2.20 115.11 117.23 3dhu h GLN 259 Ca 0.16 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.63 3dhu h GLN 259 Cb 0.14 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 3dhu h GLN 259 CO -0.02 0.14 0.20 0.22 -1.93 0.00 0.00 178.83 177.44 3dhu h ASP 260 N 0.21 0.00 0.03 -0.69 3.58 -1.09 -0.61 116.42 117.85 3dhu h ASP 260 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3dhu h ASP 260 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 3dhu h ASP 260 CO -0.22 0.00 -0.30 0.00 -2.88 0.00 0.00 179.24 175.84 3dhu n ALA 261 N -2.46 3.17 0.11 -0.78 0.00 -0.86 -4.24 120.51 115.45 3dhu n ALA 261 Ca 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 3dhu n ALA 261 Cb 0.34 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 18.94 3dhu n ALA 261 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3dhu h THR 262 N 2.61 1.42 -1.40 0.00 2.02 -0.76 -3.47 112.91 113.33 3dhu h THR 262 Ca 0.00 -2.61 -0.53 0.00 0.77 0.00 0.00 66.41 64.04 3dhu h THR 262 Cb 0.73 2.45 -0.05 0.00 -1.74 0.00 0.00 68.15 69.54 3dhu h THR 262 CO 0.00 0.72 -0.40 -0.36 0.37 0.00 0.00 175.52 175.84 3dhu s PHE 263 N -3.15 2.51 0.90 3.16 0.08 -1.24 -4.93 117.98 115.31 3dhu s PHE 263 Ca 0.01 -0.58 -0.10 0.00 0.12 0.00 0.00 56.93 56.38 3dhu s PHE 263 Cb 0.11 -2.07 0.14 0.00 -0.57 0.00 0.00 43.02 40.63 3dhu s PHE 263 CO 0.77 -0.08 1.14 -2.14 -0.10 0.00 0.00 175.22 174.82 3dhu s PRO 264 N -4.08 1.15 0.41 0.24 0.02 -1.26 -4.88 135.00 126.60 3dhu s PRO 264 Ca 0.44 1.52 0.15 0.00 0.02 0.00 0.00 61.00 63.13 3dhu s PRO 264 Cb -0.01 -1.75 1.03 0.00 0.02 0.00 0.00 34.50 33.79 3dhu s PRO 264 CO 0.25 -2.53 1.87 0.78 -0.33 0.00 0.00 177.00 177.05 3dhu h GLY 265 N -1.78 0.89 -1.57 0.52 0.00 -1.98 -1.74 103.07 97.41 3dhu h GLY 265 Ca -0.43 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3dhu h GLY 265 CO 0.43 0.03 0.00 1.16 0.00 0.00 0.00 176.54 178.15 3dhu n ASN 266 N -4.51 2.30 -4.72 0.19 6.94 -1.26 -4.98 115.26 109.20 3dhu n ASN 266 Ca 0.18 -2.06 -0.34 0.00 -0.02 0.00 0.00 54.58 52.34 3dhu n ASN 266 Cb 0.61 -0.31 0.09 0.00 -2.36 0.00 0.00 39.78 37.82 3dhu n ASN 266 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3dhu s TYR 267 N -1.52 2.08 -0.12 -2.53 -0.85 -0.66 -4.48 117.35 109.27 3dhu s TYR 267 Ca 0.27 1.59 -0.01 0.00 -0.52 0.00 0.00 57.07 58.41 3dhu s TYR 267 Cb 0.15 -3.46 0.03 0.00 0.38 0.00 0.00 41.96 39.05 3dhu s TYR 267 CO 0.17 -2.57 -0.06 0.08 -1.52 0.00 0.00 175.55 171.65 3dhu s VAL 268 N -1.98 0.95 -0.11 -3.49 1.01 -1.25 -4.91 120.40 110.62 3dhu s VAL 268 Ca 0.74 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 3dhu s VAL 268 Cb -0.29 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3dhu s VAL 268 CO 0.45 0.30 0.23 -0.54 0.00 0.00 0.00 175.10 175.53 3dhu s LYS 269 N 1.73 3.83 -0.31 2.72 -0.14 -1.26 -2.78 119.74 123.52 3dhu s LYS 269 Ca 0.04 0.02 -0.28 0.00 -1.36 0.00 0.00 55.97 54.39 3dhu s LYS 269 Cb -0.13 -3.28 0.01 0.00 -1.68 0.00 0.00 37.83 32.75 3dhu s LYS 269 CO -0.08 0.57 1.02 1.41 -0.76 0.00 0.00 175.35 177.52 3dhu s MET 270 N -0.51 4.05 -0.09 1.68 -2.45 -0.15 -0.67 119.30 121.16 3dhu s MET 270 Ca 0.16 0.99 -0.07 0.00 -1.25 0.00 0.00 55.69 55.52 3dhu s MET 270 Cb -0.13 -3.73 -0.04 0.00 1.25 0.00 0.00 34.83 32.18 3dhu s MET 270 CO 0.05 -0.85 0.18 1.03 1.05 0.00 0.00 175.02 176.48 3dhu s ARG 271 N 3.50 3.50 -0.01 4.11 1.81 0.47 -2.25 118.95 130.08 3dhu s ARG 271 Ca 0.43 -0.08 -0.29 0.00 -1.72 0.00 0.00 55.73 54.06 3dhu s ARG 271 Cb -0.13 -3.18 0.07 0.00 -0.45 0.00 0.00 34.95 31.26 3dhu s ARG 271 CO 0.14 0.76 0.67 -0.59 -0.68 0.00 0.00 175.30 175.60 3dhu s PHE 272 N -1.07 -0.63 -0.03 -0.53 -0.12 -1.26 -0.80 117.98 113.54 3dhu s PHE 272 Ca 0.17 0.95 0.09 0.00 -0.05 0.00 0.00 56.93 58.10 3dhu s PHE 272 Cb -0.13 0.44 -0.14 0.00 -0.63 0.00 0.00 43.02 42.57 3dhu s PHE 272 CO 0.07 -0.66 0.18 1.28 -0.05 0.00 0.00 175.22 176.04 3dhu n LEU 273 N 0.63 0.00 -3.99 -1.99 4.77 -1.26 -5.05 117.00 110.11 3dhu n LEU 273 Ca -0.18 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.71 3dhu n LEU 273 Cb 0.59 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 3dhu n LEU 273 CO 0.21 0.04 0.19 -1.83 -1.33 0.00 0.00 177.39 174.68 3dhu s GLU 274 N -2.58 1.55 0.12 3.23 -1.05 -1.26 -4.37 118.70 114.35 3dhu s GLU 274 Ca -0.04 -1.23 -0.11 0.00 -0.15 0.00 0.00 54.97 53.44 3dhu s GLU 274 Cb 0.05 0.48 0.04 0.00 -0.44 0.00 0.00 34.13 34.26 3dhu s GLU 274 CO 0.39 -0.65 0.56 0.27 0.95 0.00 0.00 175.26 176.78 3dhu n ASN 275 N -0.38 -1.03 0.31 0.83 0.23 -1.26 -4.67 115.26 109.29 3dhu n ASN 275 Ca -0.02 -1.57 0.19 0.00 -0.53 0.00 0.00 54.58 52.65 3dhu n ASN 275 Cb 0.62 1.68 1.04 0.00 -2.08 0.00 0.00 39.78 41.04 3dhu n ASN 275 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 3dhu h HIS 276 N 1.55 0.00 -0.02 -2.53 2.07 -1.98 -2.18 115.15 112.07 3dhu h HIS 276 Ca -0.16 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.36 3dhu h HIS 276 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3dhu h HIS 276 CO 0.00 0.00 -0.21 -0.25 -3.07 0.00 0.00 177.93 174.40 3dhu n ASP 277 N -3.47 2.31 -4.21 3.10 8.00 -1.26 -4.85 116.55 116.17 3dhu n ASP 277 Ca -0.03 -1.67 -0.13 0.00 0.71 0.00 0.00 54.79 53.68 3dhu n ASP 277 Cb 0.11 0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.31 3dhu n ASP 277 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dhu s ASN 278 N -2.23 1.53 0.72 -2.24 0.01 -0.82 -5.13 114.94 106.77 3dhu s ASN 278 Ca 0.25 -0.98 -0.16 0.00 -0.71 0.00 0.00 52.86 51.26 3dhu s ASN 278 Cb 0.19 0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.90 3dhu s ASN 278 CO 0.43 -0.36 1.18 0.00 -1.51 0.00 0.00 177.10 176.83 3dhu n ALA 279 N -0.03 0.41 -1.72 0.60 0.00 -1.26 -4.36 120.51 114.14 3dhu n ALA 279 Ca -0.12 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.80 3dhu n ALA 279 Cb 0.60 -2.24 0.06 0.00 0.00 0.00 0.00 19.45 17.87 3dhu n ALA 279 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dhu s ARG 280 N -3.58 2.62 0.26 0.00 1.81 -1.26 -4.57 118.95 114.23 3dhu s ARG 280 Ca 0.77 2.01 -0.07 0.00 -1.72 0.00 0.00 55.73 56.73 3dhu s ARG 280 Cb -0.34 -1.86 0.46 0.00 -0.45 0.00 0.00 34.95 32.76 3dhu s ARG 280 CO 0.46 -1.53 1.61 1.98 -0.68 0.00 0.00 175.30 177.15 3dhu h MET 281 N 0.59 0.06 -0.58 3.54 1.85 -1.83 -1.20 114.93 117.36 3dhu h MET 281 Ca -0.51 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.58 3dhu h MET 281 Cb 1.33 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.35 3dhu h MET 281 CO 0.53 0.04 0.00 -1.33 -0.40 0.00 0.00 176.91 175.75 3dhu n MET 282 N -5.42 1.13 -0.04 0.39 2.81 -1.26 -0.90 117.12 113.84 3dhu n MET 282 Ca 0.15 -0.13 0.01 0.00 -1.81 0.00 0.00 57.70 55.91 3dhu n MET 282 Cb 0.50 -1.32 -0.12 0.00 -0.71 0.00 0.00 33.22 31.57 3dhu n MET 282 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3dhu n SER 283 N -0.15 1.34 -0.06 7.83 3.41 -0.49 -4.59 113.62 120.92 3dhu n SER 283 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.46 3dhu n SER 283 Cb 0.18 1.34 -0.05 0.00 -0.26 0.00 0.00 64.21 65.42 3dhu n SER 283 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3dhu h LEU 284 N 0.00 0.95 -8.78 1.04 3.38 -0.76 -3.47 115.31 107.68 3dhu h LEU 284 Ca -0.18 -0.57 -0.32 0.00 0.09 0.00 0.00 57.88 56.90 3dhu h LEU 284 Cb 1.26 -0.28 -0.15 0.00 0.09 0.00 0.00 40.66 41.59 3dhu h LEU 284 CO 0.01 1.35 -0.63 0.00 0.09 0.00 0.00 178.44 179.25 3dhu s MET 285 N -4.00 1.28 0.00 1.13 0.23 -0.07 -5.06 119.30 112.82 3dhu s MET 285 Ca -0.11 -1.67 0.00 0.00 -1.03 0.00 0.00 55.69 52.88 3dhu s MET 285 Cb 0.09 -0.22 0.00 0.00 -1.53 0.00 0.00 34.83 33.17 3dhu s MET 285 CO 0.89 -0.24 0.17 0.72 -2.03 0.00 0.00 175.02 174.53 3dhu n HIS 286 N -0.37 0.00 -4.26 3.16 8.25 -1.26 -4.18 115.22 116.56 3dhu n HIS 286 Ca -0.02 -0.01 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 3dhu n HIS 286 Cb 0.65 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.65 3dhu n HIS 286 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3dhu s SER 287 N -0.01 2.09 0.39 0.41 1.04 -1.26 -5.03 113.70 111.33 3dhu s SER 287 Ca 0.00 -0.86 0.10 0.00 0.48 0.00 0.00 55.95 55.68 3dhu s SER 287 Cb 0.00 -0.08 0.79 0.00 0.10 0.00 0.00 66.02 66.83 3dhu s SER 287 CO 0.00 -0.16 1.91 0.50 0.98 0.00 0.00 173.24 176.47 3dhu h LYS 288 N 3.32 0.19 -0.59 4.02 3.64 -1.98 -1.89 116.57 123.28 3dhu h LYS 288 Ca -0.39 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 3dhu h LYS 288 Cb 1.20 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 3dhu h LYS 288 CO 0.53 0.37 0.17 0.00 -2.27 0.00 0.00 179.45 178.24 3dhu h ALA 289 N 1.65 1.18 -0.17 5.00 0.00 -1.98 -1.08 119.26 123.85 3dhu h ALA 289 Ca 0.03 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 3dhu h ALA 289 Cb 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dhu h ALA 289 CO 0.03 0.57 -0.61 0.93 0.00 0.00 0.00 179.25 180.16 3dhu h GLU 290 N 0.88 0.60 -0.85 0.00 5.08 -1.84 -2.87 114.58 115.58 3dhu h GLU 290 Ca 0.19 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3dhu h GLU 290 Cb 0.28 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3dhu h GLU 290 CO -0.01 1.03 0.43 0.00 -1.00 0.00 0.00 179.01 179.46 3dhu h ALA 291 N 0.88 1.16 -0.23 3.43 0.00 -0.91 -1.49 119.26 122.10 3dhu h ALA 291 Ca -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3dhu h ALA 291 Cb 1.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3dhu h ALA 291 CO 0.12 0.65 0.10 0.28 0.00 0.00 0.00 179.25 180.40 3dhu h VAL 292 N 1.20 0.98 -0.56 0.00 2.07 -1.16 0.29 116.25 119.07 3dhu h VAL 292 Ca 0.29 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.68 3dhu h VAL 292 Cb 0.08 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3dhu h VAL 292 CO -0.04 0.04 0.14 0.78 0.02 0.00 0.00 177.57 178.51 3dhu h ASN 293 N 0.22 0.85 0.87 0.57 2.35 -1.25 -2.04 115.58 117.15 3dhu h ASN 293 Ca 0.10 -0.23 -0.23 0.00 -0.55 0.00 0.00 56.30 55.38 3dhu h ASN 293 Cb 0.04 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3dhu h ASN 293 CO -0.08 0.86 -1.15 0.78 -1.65 0.00 0.00 177.43 176.19 3dhu h ASN 294 N 0.80 0.05 -0.17 5.81 2.35 -1.02 -1.85 115.58 121.55 3dhu h ASN 294 Ca 0.18 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3dhu h ASN 294 Cb 0.34 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3dhu h ASN 294 CO 0.00 1.05 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.72 3dhu h LEU 295 N 0.01 0.33 -1.03 1.61 3.38 -0.45 -2.15 115.31 117.01 3dhu h LEU 295 Ca -0.07 -0.36 0.22 0.00 0.09 0.00 0.00 57.88 57.76 3dhu h LEU 295 Cb 1.83 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 42.38 3dhu h LEU 295 CO 0.13 0.62 0.61 0.74 0.09 0.00 0.00 178.44 180.62 3dhu h THR 296 N 0.03 0.61 -0.11 0.22 2.02 -1.40 -1.55 112.91 112.73 3dhu h THR 296 Ca 0.04 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3dhu h THR 296 Cb 0.47 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3dhu h THR 296 CO 0.02 0.12 0.03 -0.25 0.37 0.00 0.00 175.52 175.81 3dhu h TRP 297 N 0.65 0.18 -0.08 3.16 -0.00 -1.03 0.09 115.95 118.92 3dhu h TRP 297 Ca 0.61 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.89 59.37 3dhu h TRP 297 Cb 1.10 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 30.20 3dhu h TRP 297 CO -0.01 0.32 -0.48 -0.84 -0.00 0.00 0.00 178.44 177.43 3dhu h ILE 298 N -0.01 1.34 -0.30 2.65 3.07 -0.81 -2.02 117.51 121.44 3dhu h ILE 298 Ca 0.04 -1.70 -0.18 0.00 1.55 0.00 0.00 64.86 64.57 3dhu h ILE 298 Cb 0.22 1.82 -0.00 0.00 -0.27 0.00 0.00 36.82 38.60 3dhu h ILE 298 CO -0.00 0.50 -0.51 -0.26 -1.05 0.00 0.00 178.15 176.83 3dhu h PHE 299 N 0.16 1.07 0.00 0.16 0.04 -1.24 -3.35 116.94 113.77 3dhu h PHE 299 Ca 0.01 -0.36 0.00 0.00 2.80 0.00 0.00 57.97 60.41 3dhu h PHE 299 Cb 0.92 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.86 3dhu h PHE 299 CO 0.01 1.19 -0.60 0.52 -0.60 0.00 0.00 178.31 178.83 3dhu h MET 300 N 0.67 0.00 -7.17 1.51 2.86 -0.86 -3.46 114.93 108.49 3dhu h MET 300 Ca 0.03 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.15 3dhu h MET 300 Cb 1.11 0.00 0.12 0.00 0.06 0.00 0.00 31.60 32.89 3dhu h MET 300 CO 0.11 0.00 0.40 -0.65 1.06 0.00 0.00 176.91 177.83 3dhu s GLN 301 N -3.18 2.61 -0.07 1.72 -0.21 -0.77 -4.92 119.66 114.85 3dhu s GLN 301 Ca 0.06 1.62 -0.29 0.00 0.02 0.00 0.00 55.36 56.76 3dhu s GLN 301 Cb 0.13 -1.91 -0.06 0.00 1.00 0.00 0.00 33.01 32.17 3dhu s GLN 301 CO 0.72 -1.44 1.83 0.50 -2.12 0.00 0.00 175.29 174.78 3dhu s ARG 302 N -3.84 3.98 0.00 2.91 3.52 -1.26 -4.77 118.95 119.49 3dhu s ARG 302 Ca 0.72 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 58.56 3dhu s ARG 302 Cb -0.26 -4.10 0.00 0.00 -1.56 0.00 0.00 34.95 29.03 3dhu s ARG 302 CO 0.40 -1.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.20 3dhu n GLY 303 N 4.55 0.34 3.09 8.12 0.00 -1.26 -4.50 105.19 115.54 3dhu n GLY 303 Ca 0.20 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 3dhu n GLY 303 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dhu s ILE 304 N -3.36 1.67 0.36 -0.61 2.07 0.16 -4.25 121.20 117.24 3dhu s ILE 304 Ca 0.00 -0.75 -0.24 0.00 -1.41 0.00 0.00 60.65 58.25 3dhu s ILE 304 Cb 0.00 -1.50 -0.10 0.00 0.13 0.00 0.00 42.46 40.99 3dhu s ILE 304 CO 0.00 0.47 0.95 -2.16 -1.91 0.00 0.00 174.94 172.30 3dhu s PRO 305 N 0.89 4.44 -0.12 3.50 0.04 -1.26 -0.40 135.00 142.10 3dhu s PRO 305 Ca -0.08 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 3dhu s PRO 305 Cb -0.15 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 3dhu s PRO 305 CO -0.01 0.15 0.04 -1.17 0.04 0.00 0.00 177.00 176.05 3dhu s LEU 306 N -2.46 3.75 -0.19 -3.56 2.96 0.02 -1.19 118.68 118.01 3dhu s LEU 306 Ca 0.54 0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.60 3dhu s LEU 306 Cb -0.16 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 3dhu s LEU 306 CO 0.20 0.32 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.82 3dhu s ILE 307 N -0.52 3.01 -0.01 6.68 -1.09 0.39 -4.69 121.20 124.97 3dhu s ILE 307 Ca 0.10 -0.63 -0.21 0.00 -2.23 0.00 0.00 60.65 57.67 3dhu s ILE 307 Cb -0.12 -2.33 -0.05 0.00 -1.58 0.00 0.00 42.46 38.38 3dhu s ILE 307 CO 0.02 0.47 0.62 -0.47 -1.23 0.00 0.00 174.94 174.35 3dhu s TYR 308 N 1.13 3.67 -0.34 3.97 5.04 -1.26 -0.66 117.35 128.90 3dhu s TYR 308 Ca 0.01 1.21 -0.43 0.00 -2.44 0.00 0.00 57.07 55.43 3dhu s TYR 308 Cb -0.14 -2.65 -0.18 0.00 0.35 0.00 0.00 41.96 39.34 3dhu s TYR 308 CO -0.03 0.30 1.64 0.27 -1.34 0.00 0.00 175.55 176.40 3dhu n ASN 309 N 2.90 1.78 0.00 4.32 2.04 -0.01 -1.26 115.26 125.04 3dhu n ASN 309 Ca -0.06 1.13 0.00 0.00 -0.44 0.00 0.00 54.58 55.21 3dhu n ASN 309 Cb 0.51 -1.03 0.00 0.00 -2.53 0.00 0.00 39.78 36.73 3dhu n ASN 309 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3dhu n GLY 310 N 3.92 2.88 0.35 4.83 0.00 -1.26 -4.91 105.19 111.00 3dhu n GLY 310 Ca 0.28 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.37 3dhu n GLY 310 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3dhu h GLN 311 N 1.61 0.63 0.00 1.61 4.15 -1.52 -1.34 115.11 120.26 3dhu h GLN 311 Ca 0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3dhu h GLN 311 Cb 0.00 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 3dhu h GLN 311 CO 0.00 0.42 -0.08 1.05 -1.93 0.00 0.00 178.83 178.29 3dhu h GLU 312 N 0.65 0.00 -0.50 1.69 9.09 -1.91 -1.75 114.58 121.84 3dhu h GLU 312 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 3dhu h GLU 312 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3dhu h GLU 312 CO -0.09 0.08 0.00 1.19 0.05 0.00 0.00 179.01 180.24 3dhu n PHE 313 N -3.28 1.49 -3.13 2.06 3.72 -0.63 -0.17 117.46 117.53 3dhu n PHE 313 Ca -0.00 -0.71 -0.19 0.00 -0.05 0.00 0.00 57.45 56.49 3dhu n PHE 313 Cb 0.30 -0.34 0.05 0.00 -0.94 0.00 0.00 39.48 38.54 3dhu n PHE 313 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dhu n LEU 314 N 0.49 -2.81 -4.66 4.37 4.77 -0.66 -0.77 117.00 117.73 3dhu n LEU 314 Ca 0.24 -0.33 -0.39 0.00 -0.03 0.00 0.00 56.01 55.50 3dhu n LEU 314 Cb 0.97 -2.58 0.04 0.00 -2.33 0.00 0.00 43.42 39.51 3dhu n LEU 314 CO 0.24 0.36 0.72 0.00 -1.33 0.00 0.00 177.39 177.37 3dhu n ALA 315 N -3.87 0.71 -0.02 -1.18 0.00 -0.60 -4.27 120.51 111.28 3dhu n ALA 315 Ca -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 53.44 53.51 3dhu n ALA 315 Cb 0.58 -2.19 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 3dhu n ALA 315 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dhu n GLU 316 N -0.65 2.05 -3.55 0.00 1.02 -1.26 -4.03 120.64 114.22 3dhu n GLU 316 Ca 0.11 -0.02 -0.36 0.00 -0.02 0.00 0.00 57.16 56.87 3dhu n GLU 316 Cb 0.44 -1.12 -0.07 0.00 -0.02 0.00 0.00 31.44 30.67 3dhu n GLU 316 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3dhu s HIS 317 N -2.21 3.48 -0.43 -0.32 2.46 -1.26 -4.55 115.29 112.46 3dhu s HIS 317 Ca -0.02 0.61 -0.29 0.00 0.47 0.00 0.00 55.06 55.83 3dhu s HIS 317 Cb 0.02 -2.32 0.02 0.00 -0.13 0.00 0.00 32.58 30.17 3dhu s HIS 317 CO 0.20 0.28 1.17 -1.14 -2.47 0.00 0.00 174.74 172.78 3dhu s GLN 318 N 0.32 3.79 0.14 2.88 0.74 -1.26 -4.85 119.66 121.42 3dhu s GLN 318 Ca 0.17 0.76 -0.31 0.00 0.05 0.00 0.00 55.36 56.03 3dhu s GLN 318 Cb -0.13 -3.89 -0.10 0.00 1.10 0.00 0.00 33.01 29.99 3dhu s GLN 318 CO 0.04 -1.29 1.74 -2.14 -0.55 0.00 0.00 175.29 173.09 3dhu s PRO 319 N 4.34 4.15 0.23 1.67 0.02 -1.26 -4.92 135.00 139.23 3dhu s PRO 319 Ca 0.50 2.52 -0.28 0.00 0.02 0.00 0.00 61.00 63.76 3dhu s PRO 319 Cb -0.10 -3.42 -0.16 0.00 0.02 0.00 0.00 34.50 30.84 3dhu s PRO 319 CO 0.28 -0.78 0.62 0.45 -0.33 0.00 0.00 177.00 177.25 3dhu n SER 320 N 5.08 -0.70 0.01 2.53 2.88 -1.26 -4.91 113.62 117.24 3dhu n SER 320 Ca 0.16 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.97 3dhu n SER 320 Cb 0.38 -1.03 0.47 0.00 -0.75 0.00 0.00 64.21 63.29 3dhu n SER 320 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3dhu n LEU 321 N 1.82 0.25 -0.03 2.46 4.77 -1.26 -4.55 117.00 120.46 3dhu n LEU 321 Ca 0.16 0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 56.46 3dhu n LEU 321 Cb 0.27 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 3dhu n LEU 321 CO 0.57 0.02 -0.72 0.49 -1.33 0.00 0.00 177.39 176.42 3dhu n PHE 322 N -1.60 0.00 -4.29 -1.77 3.72 -1.26 -3.78 117.46 108.48 3dhu n PHE 322 Ca 0.06 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.28 3dhu n PHE 322 Cb 0.35 -0.34 -0.11 0.00 -0.94 0.00 0.00 39.48 38.45 3dhu n PHE 322 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3dhu s ASP 323 N -3.76 2.24 0.29 4.37 1.01 -1.26 -0.82 116.67 118.75 3dhu s ASP 323 Ca -0.04 -0.90 -0.30 0.00 0.71 0.00 0.00 52.55 52.03 3dhu s ASP 323 Cb 0.03 -0.09 -0.11 0.00 1.01 0.00 0.00 42.92 43.76 3dhu s ASP 323 CO 0.31 -0.16 1.50 -0.60 0.21 0.00 0.00 175.17 176.43 3dhu s ARG 324 N -3.09 4.19 -0.42 8.23 3.52 -1.26 -4.68 118.95 125.43 3dhu s ARG 324 Ca 0.15 2.44 0.08 0.00 -0.13 0.00 0.00 55.73 58.27 3dhu s ARG 324 Cb -0.03 -3.05 0.36 0.00 -1.56 0.00 0.00 34.95 30.66 3dhu s ARG 324 CO 0.04 -0.50 1.16 -3.47 -0.81 0.00 0.00 175.30 171.72 3dhu n ASP 325 N 1.88 -1.68 -4.60 -2.12 -0.08 -1.26 -4.99 116.55 103.71 3dhu n ASP 325 Ca 0.06 -3.15 -0.47 0.00 -1.51 0.00 0.00 54.79 49.71 3dhu n ASP 325 Cb 0.39 1.24 -0.03 0.00 2.34 0.00 0.00 41.12 45.06 3dhu n ASP 325 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3dhu n THR 326 N -0.00 1.10 1.06 5.18 -1.04 -1.26 -4.79 114.28 114.52 3dhu n THR 326 Ca 0.05 -0.27 0.12 0.00 -2.04 0.00 0.00 64.05 61.90 3dhu n THR 326 Cb 0.76 -1.00 0.14 0.00 -1.82 0.00 0.00 70.33 68.41 3dhu n THR 326 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 3dhu n MET 327 N 1.63 2.08 -0.14 -2.82 0.00 0.24 -4.59 117.12 113.52 3dhu n MET 327 Ca 0.13 -1.67 0.15 0.00 0.00 0.00 0.00 57.70 56.31 3dhu n MET 327 Cb 0.27 -1.47 0.51 0.00 0.00 0.00 0.00 33.22 32.54 3dhu n MET 327 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3dhu h VAL 328 N 4.08 0.82 -0.01 3.17 2.07 -1.81 -1.42 116.25 123.15 3dhu h VAL 328 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3dhu h VAL 328 Cb 0.90 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3dhu h VAL 328 CO 0.00 0.07 -0.18 0.00 0.02 0.00 0.00 177.57 177.49 3dhu n ALA 329 N -2.53 2.91 -1.67 1.67 0.00 -1.26 -4.59 120.51 115.04 3dhu n ALA 329 Ca 0.13 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.67 3dhu n ALA 329 Cb 0.49 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 3dhu n ALA 329 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dhu n ASP 330 N 0.02 8.32 -4.18 0.00 2.03 -0.54 -4.89 116.55 117.30 3dhu n ASP 330 Ca 0.14 -2.87 -0.29 0.00 0.52 0.00 0.00 54.79 52.29 3dhu n ASP 330 Cb 0.41 -1.46 -0.16 0.00 -0.72 0.00 0.00 41.12 39.19 3dhu n ASP 330 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3dhu s ARG 331 N 0.49 2.28 -0.28 -0.67 0.52 -1.26 -3.63 118.95 116.40 3dhu s ARG 331 Ca 0.61 -0.74 0.21 0.00 -0.52 0.00 0.00 55.73 55.30 3dhu s ARG 331 Cb 0.18 -1.89 0.49 0.00 0.52 0.00 0.00 34.95 34.26 3dhu s ARG 331 CO -0.08 0.26 1.11 0.72 0.02 0.00 0.00 175.30 177.33 3dhu n HIS 332 N 3.22 1.01 0.00 -0.53 8.25 0.05 -5.00 115.22 122.21 3dhu n HIS 332 Ca -0.19 -2.22 0.00 0.00 -0.26 0.00 0.00 57.72 55.05 3dhu n HIS 332 Cb 0.52 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.50 3dhu n HIS 332 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dhu n GLY 333 N -0.57 0.54 3.38 -1.41 0.00 -1.24 -4.81 105.19 101.08 3dhu n GLY 333 Ca 0.06 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.86 3dhu n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dhu s ASP 334 N -4.00 -1.03 -0.22 1.61 3.68 -1.26 -4.44 116.67 111.01 3dhu s ASP 334 Ca 0.00 1.17 0.15 0.00 2.13 0.00 0.00 52.55 56.00 3dhu s ASP 334 Cb 0.00 2.07 0.56 0.00 -1.45 0.00 0.00 42.92 44.10 3dhu s ASP 334 CO 0.00 -0.24 1.48 1.33 0.13 0.00 0.00 175.17 177.87 3dhu n VAL 335 N 5.43 2.42 -0.21 1.11 0.24 0.76 -4.70 118.33 123.38 3dhu n VAL 335 Ca -0.07 -2.00 -0.00 0.00 -2.04 0.00 0.00 64.34 60.23 3dhu n VAL 335 Cb 0.50 -0.28 0.11 0.00 -1.47 0.00 0.00 33.84 32.70 3dhu n VAL 335 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3dhu h THR 336 N 1.81 0.81 -0.51 3.34 2.02 -1.95 -1.54 112.91 116.88 3dhu h THR 336 Ca 0.07 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3dhu h THR 336 Cb 1.60 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3dhu h THR 336 CO 0.32 0.08 0.14 -0.65 0.37 0.00 0.00 175.52 175.78 3dhu h PRO 337 N 0.46 0.76 -0.09 6.66 0.11 -1.95 -0.65 132.00 137.31 3dhu h PRO 337 Ca 0.31 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3dhu h PRO 337 Cb 0.35 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 3dhu h PRO 337 CO -0.28 0.68 0.06 1.25 -0.21 0.00 0.00 178.00 179.50 3dhu h LEU 338 N 0.74 0.10 -0.66 2.35 5.85 -1.76 -0.72 115.31 121.21 3dhu h LEU 338 Ca 0.17 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3dhu h LEU 338 Cb 0.25 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3dhu h LEU 338 CO -0.00 0.08 0.28 0.40 -0.34 0.00 0.00 178.44 178.86 3dhu h ILE 339 N 0.11 1.23 -0.54 4.05 2.04 -0.89 0.54 117.51 124.05 3dhu h ILE 339 Ca 0.03 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 3dhu h ILE 339 Cb -0.00 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3dhu h ILE 339 CO -0.01 0.28 0.21 1.56 0.00 0.00 0.00 178.15 180.20 3dhu h GLN 340 N 0.93 0.81 0.01 2.37 4.20 -0.96 0.37 115.11 122.83 3dhu h GLN 340 Ca 0.22 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3dhu h GLN 340 Cb 0.17 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3dhu h GLN 340 CO -0.02 0.71 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.62 3dhu h LYS 341 N 0.73 -0.01 -0.91 1.46 1.63 -0.96 -2.53 116.57 115.99 3dhu h LYS 341 Ca 0.18 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.10 3dhu h LYS 341 Cb 0.20 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.77 3dhu h LYS 341 CO -0.01 -0.00 0.58 -0.07 -3.45 0.00 0.00 179.45 176.50 3dhu h LEU 342 N -0.01 0.77 -0.63 5.20 3.38 -0.49 -1.83 115.31 121.69 3dhu h LEU 342 Ca -0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3dhu h LEU 342 Cb 0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3dhu h LEU 342 CO 0.00 0.42 0.35 0.58 0.09 0.00 0.00 178.44 179.88 3dhu h VAL 343 N 0.83 1.20 -0.38 1.22 2.07 -0.11 0.22 116.25 121.30 3dhu h VAL 343 Ca 0.44 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 3dhu h VAL 343 Cb 0.53 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3dhu h VAL 343 CO -0.20 0.22 -0.26 0.71 0.02 0.00 0.00 177.57 178.05 3dhu h THR 344 N 0.86 1.27 0.09 2.57 1.35 -0.95 -1.36 112.91 116.74 3dhu h THR 344 Ca 0.22 -1.40 -0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3dhu h THR 344 Cb 0.04 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3dhu h THR 344 CO -0.04 0.47 -0.04 0.40 -0.25 0.00 0.00 175.52 176.06 3dhu h ILE 345 N 0.69 1.01 -1.03 6.82 2.04 -1.13 -3.02 117.51 122.88 3dhu h ILE 345 Ca 0.09 -0.34 0.27 0.00 1.00 0.00 0.00 64.86 65.88 3dhu h ILE 345 Cb 0.79 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 3dhu h ILE 345 CO 0.07 0.09 0.70 0.50 0.00 0.00 0.00 178.15 179.50 3dhu h LYS 346 N -0.28 0.25 0.00 2.37 1.63 -0.43 0.18 116.57 120.30 3dhu h LYS 346 Ca -0.01 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3dhu h LYS 346 Cb 0.23 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3dhu h LYS 346 CO 0.02 0.17 0.00 1.96 -3.45 0.00 0.00 179.45 178.15 3dhu h GLN 347 N 0.26 0.00 -6.89 1.90 4.20 -1.11 -3.38 115.11 110.09 3dhu h GLN 347 Ca 0.55 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.71 3dhu h GLN 347 Cb 1.65 0.00 0.11 0.00 0.30 0.00 0.00 27.48 29.54 3dhu h GLN 347 CO -0.18 0.00 0.68 1.28 -0.67 0.00 0.00 178.83 179.94 3dhu n LEU 348 N -2.36 4.45 -0.02 1.46 4.77 0.05 -4.88 117.00 120.47 3dhu n LEU 348 Ca 0.02 1.21 0.22 0.00 -0.03 0.00 0.00 56.01 57.42 3dhu n LEU 348 Cb 0.23 -1.58 0.71 0.00 -2.33 0.00 0.00 43.42 40.45 3dhu n LEU 348 CO 0.20 -0.08 1.20 -0.65 -1.33 0.00 0.00 177.39 176.73 3dhu h PRO 349 N 2.73 0.00 -0.07 3.23 0.11 -1.89 -2.13 132.00 133.99 3dhu h PRO 349 Ca -0.49 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3dhu h PRO 349 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3dhu h PRO 349 CO 0.63 0.00 0.06 -0.07 -0.21 0.00 0.00 178.00 178.41 3dhu h LEU 350 N 0.00 0.00 -2.02 2.35 3.38 -1.93 -2.00 115.31 115.09 3dhu h LEU 350 Ca 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 3dhu h LEU 350 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3dhu h LEU 350 CO -0.00 0.00 -0.08 -0.07 0.09 0.00 0.00 178.44 178.38 3dhu h LEU 351 N 0.00 0.00 -0.48 1.67 -0.00 -1.67 -0.72 115.31 114.11 3dhu h LEU 351 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3dhu h LEU 351 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 3dhu h LEU 351 CO -0.00 0.08 -0.05 0.54 -0.00 0.00 0.00 178.44 179.01 3dhu n ARG 352 N -3.45 1.15 -1.67 1.13 1.74 -0.75 -4.85 116.66 109.96 3dhu n ARG 352 Ca -0.02 -0.48 -0.42 0.00 -0.77 0.00 0.00 57.85 56.17 3dhu n ARG 352 Cb 0.22 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3dhu n ARG 352 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dhu n ALA 353 N -0.51 0.94 -0.14 7.54 0.00 -0.28 -4.92 120.51 123.14 3dhu n ALA 353 Ca 0.18 0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.83 3dhu n ALA 353 Cb 0.27 -2.20 -0.01 0.00 0.00 0.00 0.00 19.45 17.51 3dhu n ALA 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dhu h ALA 354 N 2.22 0.58 -1.37 0.00 0.00 -1.89 -3.40 119.26 115.39 3dhu h ALA 354 Ca -0.45 -0.33 -0.54 0.00 0.00 0.00 0.00 54.91 53.59 3dhu h ALA 354 Cb 1.30 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3dhu h ALA 354 CO 0.61 0.48 1.10 0.34 0.00 0.00 0.00 179.25 181.78 3dhu s ASP 355 N -6.46 6.06 -0.10 0.00 -1.08 -1.26 -4.97 116.67 108.85 3dhu s ASP 355 Ca -0.12 -0.38 0.01 0.00 -0.52 0.00 0.00 52.55 51.54 3dhu s ASP 355 Cb 0.11 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 39.03 3dhu s ASP 355 CO 0.83 -1.90 -0.12 -0.47 0.52 0.00 0.00 175.17 174.03 3dhu s TYR 356 N 6.14 1.69 -0.03 -5.34 5.04 -1.26 -1.66 117.35 121.93 3dhu s TYR 356 Ca 0.39 -0.77 0.04 0.00 -2.44 0.00 0.00 57.07 54.29 3dhu s TYR 356 Cb -0.08 -1.27 -0.01 0.00 0.35 0.00 0.00 41.96 40.95 3dhu s TYR 356 CO 0.15 -0.44 -0.15 -0.65 -1.34 0.00 0.00 175.55 173.12 3dhu s GLN 357 N 1.12 1.45 -0.09 4.97 -1.52 0.11 -4.99 119.66 120.71 3dhu s GLN 357 Ca -0.05 -0.54 0.01 0.00 -1.95 0.00 0.00 55.36 52.83 3dhu s GLN 357 Cb -0.14 -1.32 -0.02 0.00 -0.22 0.00 0.00 33.01 31.30 3dhu s GLN 357 CO -0.02 0.26 -0.10 -0.51 -0.25 0.00 0.00 175.29 174.66 3dhu s LEU 358 N -0.09 2.92 0.01 2.90 1.43 -1.26 -0.76 118.68 123.82 3dhu s LEU 358 Ca 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3dhu s LEU 358 Cb -0.09 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 3dhu s LEU 358 CO 0.01 0.27 -0.02 0.00 0.23 0.00 0.00 176.35 176.84 3dhu s ALA 359 N -0.29 0.14 -0.14 4.21 0.00 -0.19 -5.00 121.76 120.50 3dhu s ALA 359 Ca 0.03 -0.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.48 3dhu s ALA 359 Cb -0.13 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3dhu s ALA 359 CO 0.03 -0.05 0.54 0.08 0.00 0.00 0.00 175.76 176.36 3dhu s VAL 360 N -0.68 5.13 0.00 0.00 1.01 -1.26 -0.52 120.40 124.07 3dhu s VAL 360 Ca -0.07 1.07 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3dhu s VAL 360 Cb -0.05 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3dhu s VAL 360 CO -0.00 0.25 0.00 1.33 0.00 0.00 0.00 175.10 176.68 3dhu n VAL 361 N 4.00 0.00 -1.60 2.92 0.24 -0.02 -4.96 118.33 118.91 3dhu n VAL 361 Ca -0.05 0.00 -0.52 0.00 -2.04 0.00 0.00 64.34 61.73 3dhu n VAL 361 Cb 0.51 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 3dhu n VAL 361 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dhu n GLU 362 N 0.00 1.14 -1.87 7.34 4.71 -1.26 -1.85 120.64 128.85 3dhu n GLU 362 Ca 0.00 0.41 -0.19 0.00 -0.01 0.00 0.00 57.16 57.37 3dhu n GLU 362 Cb 0.00 -2.06 -0.06 0.00 -1.01 0.00 0.00 31.44 28.32 3dhu n GLU 362 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3dhu n GLU 363 N 2.71 -1.55 -1.12 3.49 1.02 -1.26 -1.80 120.64 122.12 3dhu n GLU 363 Ca 0.19 1.07 -0.04 0.00 -0.02 0.00 0.00 57.16 58.36 3dhu n GLU 363 Cb 0.19 -5.54 -0.02 0.00 -0.02 0.00 0.00 31.44 26.05 3dhu n GLU 363 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dhu n GLY 364 N -0.58 0.71 3.77 0.62 0.00 -0.77 -4.96 105.19 103.97 3dhu n GLY 364 Ca -0.21 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 3dhu n GLY 364 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dhu s ILE 365 N -2.16 2.82 -0.05 -0.61 1.01 -0.75 -4.79 121.20 116.68 3dhu s ILE 365 Ca 0.00 0.82 -0.20 0.00 0.00 0.00 0.00 60.65 61.28 3dhu s ILE 365 Cb 0.00 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 3dhu s ILE 365 CO 0.00 0.19 0.56 -0.69 0.00 0.00 0.00 174.94 175.00 3dhu s VAL 366 N -1.16 5.03 -0.19 2.92 1.01 -1.00 -0.84 120.40 126.17 3dhu s VAL 366 Ca 0.49 1.16 -0.03 0.00 0.00 0.00 0.00 61.98 63.60 3dhu s VAL 366 Cb -0.38 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 3dhu s VAL 366 CO 0.51 0.37 -0.08 -0.75 0.00 0.00 0.00 175.10 175.15 3dhu s LYS 367 N 0.19 3.38 -0.15 2.72 2.20 0.32 -0.03 119.74 128.37 3dhu s LYS 367 Ca 0.30 -0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 55.21 3dhu s LYS 367 Cb -0.17 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.24 3dhu s LYS 367 CO 0.15 -0.05 0.05 0.42 -0.36 0.00 0.00 175.35 175.56 3dhu s ILE 368 N 1.06 4.67 -0.06 5.43 1.01 0.11 -1.02 121.20 132.41 3dhu s ILE 368 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.59 3dhu s ILE 368 Cb -0.15 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.27 3dhu s ILE 368 CO -0.01 0.51 -0.13 -0.89 0.00 0.00 0.00 174.94 174.42 3dhu s THR 369 N -0.06 1.16 -0.13 2.92 2.01 0.06 -0.87 115.64 120.72 3dhu s THR 369 Ca 0.06 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 3dhu s THR 369 Cb -0.12 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 3dhu s THR 369 CO 0.01 0.36 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.91 3dhu s TYR 370 N 0.50 2.92 -0.06 4.92 2.02 -0.30 -0.72 117.35 126.65 3dhu s TYR 370 Ca -0.12 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 3dhu s TYR 370 Cb -0.14 -1.88 -0.00 0.00 -0.40 0.00 0.00 41.96 39.53 3dhu s TYR 370 CO 0.03 -0.06 -0.18 1.03 -1.57 0.00 0.00 175.55 174.80 3dhu s ARG 371 N 0.22 2.05 -0.29 -0.62 0.52 -0.66 -1.05 118.95 119.11 3dhu s ARG 371 Ca -0.05 -0.66 -0.24 0.00 -0.52 0.00 0.00 55.73 54.26 3dhu s ARG 371 Cb -0.14 -1.71 0.15 0.00 0.52 0.00 0.00 34.95 33.76 3dhu s ARG 371 CO 0.04 0.22 1.19 0.00 0.02 0.00 0.00 175.30 176.77 3dhu s ALA 372 N 0.15 -2.10 -1.30 2.13 0.00 -0.27 -4.10 121.76 116.28 3dhu s ALA 372 Ca -0.08 1.82 -0.04 0.00 0.00 0.00 0.00 51.96 53.67 3dhu s ALA 372 Cb -0.13 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 3dhu s ALA 372 CO 0.04 -0.19 0.64 0.00 0.00 0.00 0.00 175.76 176.24 3dhu n ALA 373 N 2.09 -2.13 -1.27 0.00 0.00 -1.26 -1.92 120.51 116.02 3dhu n ALA 373 Ca -0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 3dhu n ALA 373 Cb 0.56 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 3dhu n ALA 373 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhu n GLY 374 N -1.70 1.04 3.15 0.00 0.00 -1.26 -4.99 105.19 101.42 3dhu n GLY 374 Ca -0.26 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 3dhu n GLY 374 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dhu s GLU 375 N -2.56 0.89 0.10 1.61 -1.05 -0.81 -4.48 118.70 112.40 3dhu s GLU 375 Ca 0.00 -1.41 -0.08 0.00 -0.15 0.00 0.00 54.97 53.33 3dhu s GLU 375 Cb 0.00 0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.89 3dhu s GLU 375 CO 0.00 -0.23 0.19 0.00 0.95 0.00 0.00 175.26 176.17 3dhu s ALA 376 N -4.00 -0.11 -0.14 -0.84 0.00 0.94 -1.11 121.76 116.50 3dhu s ALA 376 Ca 0.22 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 3dhu s ALA 376 Cb 0.07 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.78 3dhu s ALA 376 CO 0.00 -0.53 -0.08 -1.17 0.00 0.00 0.00 175.76 173.99 3dhu s LEU 377 N -2.89 1.42 -0.14 0.00 2.96 -0.22 -1.54 118.68 118.27 3dhu s LEU 377 Ca 0.08 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3dhu s LEU 377 Cb 0.05 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 3dhu s LEU 377 CO -0.09 -0.13 0.01 -0.89 -1.32 0.00 0.00 176.35 173.94 3dhu s THR 378 N 1.64 4.35 -0.19 3.68 2.01 -0.58 -1.15 115.64 125.40 3dhu s THR 378 Ca 0.04 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.84 3dhu s THR 378 Cb -0.13 -2.90 0.03 0.00 0.01 0.00 0.00 72.50 69.51 3dhu s THR 378 CO -0.08 0.52 -0.16 0.00 -0.69 0.00 0.00 174.62 174.21 3dhu s ALA 379 N -0.07 2.27 -0.26 7.40 0.00 -0.05 -0.64 121.76 130.41 3dhu s ALA 379 Ca 0.04 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.57 3dhu s ALA 379 Cb -0.13 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3dhu s ALA 379 CO 0.02 -0.57 0.41 -1.58 0.00 0.00 0.00 175.76 174.03 3dhu s TRP 380 N 1.30 3.27 -0.30 0.00 0.51 -0.21 0.06 118.94 123.57 3dhu s TRP 380 Ca 0.02 0.49 0.03 0.00 -2.12 0.00 0.00 56.10 54.51 3dhu s TRP 380 Cb -0.15 -2.59 0.08 0.00 -0.81 0.00 0.00 33.47 30.00 3dhu s TRP 380 CO -0.11 -0.20 -0.01 0.42 -0.51 0.00 0.00 176.95 176.54 3dhu s ILE 381 N 1.99 1.97 -1.09 2.03 1.01 0.95 -1.68 121.20 126.38 3dhu s ILE 381 Ca 0.17 -1.85 -0.18 0.00 0.00 0.00 0.00 60.65 58.79 3dhu s ILE 381 Cb -0.16 -2.31 0.12 0.00 0.01 0.00 0.00 42.46 40.13 3dhu s ILE 381 CO 0.09 -0.36 1.36 -2.16 0.00 0.00 0.00 174.94 173.88 3dhu s PRO 382 N 1.12 3.82 0.56 2.79 0.04 -1.26 -2.37 135.00 139.69 3dhu s PRO 382 Ca 0.02 -1.99 0.28 0.00 0.04 0.00 0.00 61.00 59.35 3dhu s PRO 382 Cb -0.19 -5.12 1.63 0.00 0.04 0.00 0.00 34.50 30.86 3dhu s PRO 382 CO -0.09 -1.90 2.17 -0.07 0.04 0.00 0.00 177.00 177.16 3dhu h LEU 383 N 10.80 0.00 -2.00 -3.56 3.38 -1.91 -1.30 115.31 120.72 3dhu h LEU 383 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3dhu h LEU 383 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3dhu h LEU 383 CO 1.25 0.06 0.00 0.29 0.09 0.00 0.00 178.44 180.12 3dhu n LYS 384 N -3.80 2.32 -0.84 1.13 4.76 -1.26 -4.92 118.16 115.55 3dhu n LYS 384 Ca -0.03 -1.98 0.00 0.00 -2.87 0.00 0.00 58.31 53.43 3dhu n LYS 384 Cb 0.15 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3dhu n LYS 384 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dhu n GLY 385 N 1.41 0.82 3.72 0.72 0.00 -0.49 -5.01 105.19 106.36 3dhu n GLY 385 Ca 0.18 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3dhu n GLY 385 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhu s GLN 386 N -1.87 4.26 -0.34 1.61 1.11 -1.26 -4.36 119.66 118.80 3dhu s GLN 386 Ca 0.00 2.27 -0.02 0.00 0.01 0.00 0.00 55.36 57.61 3dhu s GLN 386 Cb 0.00 -3.17 0.07 0.00 -1.01 0.00 0.00 33.01 28.90 3dhu s GLN 386 CO 0.00 -0.52 0.08 0.08 0.01 0.00 0.00 175.29 174.94 3dhu s VAL 387 N 0.92 3.10 0.15 1.09 1.01 -1.25 -0.76 120.40 124.66 3dhu s VAL 387 Ca 0.66 -1.65 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 3dhu s VAL 387 Cb -0.41 -2.93 0.07 0.00 0.00 0.00 0.00 36.38 33.11 3dhu s VAL 387 CO 0.33 -0.34 0.69 0.28 0.00 0.00 0.00 175.10 176.06 3dhu s THR 388 N 1.20 0.00 0.27 3.92 -1.32 -0.29 -4.97 115.64 114.45 3dhu s THR 388 Ca 0.01 -0.19 -0.23 0.00 -1.21 0.00 0.00 61.69 60.07 3dhu s THR 388 Cb -0.21 -1.20 -0.09 0.00 -1.51 0.00 0.00 72.50 69.49 3dhu s THR 388 CO -0.02 0.00 0.84 0.00 -2.21 0.00 0.00 174.62 173.23 3dhu s ALA 389 N -3.64 3.31 0.08 11.08 0.00 -1.26 -0.16 121.76 131.17 3dhu s ALA 389 Ca 0.04 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.45 3dhu s ALA 389 Cb -0.02 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 3dhu s ALA 389 CO -0.08 0.25 -0.24 0.14 0.00 0.00 0.00 175.76 175.82 3dhu s VAL 390 N -1.55 1.99 0.33 0.00 -7.23 0.19 -4.89 120.40 109.23 3dhu s VAL 390 Ca 0.46 -1.47 -0.27 0.00 -1.81 0.00 0.00 61.98 58.89 3dhu s VAL 390 Cb -0.18 -1.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 3dhu s VAL 390 CO 0.23 0.19 1.06 0.00 -0.31 0.00 0.00 175.10 176.27 3dhu s ALA 391 N -0.93 3.27 0.05 1.32 0.00 -1.26 -1.21 121.76 123.00 3dhu s ALA 391 Ca 0.10 0.79 -0.09 0.00 0.00 0.00 0.00 51.96 52.76 3dhu s ALA 391 Cb -0.10 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3dhu s ALA 391 CO 0.03 -0.14 0.18 -0.08 0.00 0.00 0.00 175.76 175.75 3dhu s THR 392 N -1.37 0.12 -2.33 0.00 -1.32 0.34 -4.91 115.64 106.17 3dhu s THR 392 Ca 0.50 -0.99 0.21 0.00 -1.21 0.00 0.00 61.69 60.20 3dhu s THR 392 Cb -0.27 -1.02 0.44 0.00 -1.51 0.00 0.00 72.50 70.13 3dhu s THR 392 CO 0.35 -0.55 1.46 0.29 -2.21 0.00 0.00 174.62 173.96 3dhu n LYS 393 N 0.51 2.07 -1.98 7.08 5.02 -1.26 -4.54 118.16 125.06 3dhu n LYS 393 Ca -0.18 -1.62 -0.42 0.00 -2.02 0.00 0.00 58.31 54.08 3dhu n LYS 393 Cb 0.60 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 3dhu n LYS 393 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dhu s LEU 394 N -1.47 4.38 0.49 -0.35 1.43 -1.26 -4.98 118.68 116.92 3dhu s LEU 394 Ca 0.34 2.67 -0.23 0.00 -1.03 0.00 0.00 54.13 55.88 3dhu s LEU 394 Cb 0.19 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.73 3dhu s LEU 394 CO 0.28 -0.74 1.36 0.00 0.23 0.00 0.00 176.35 177.47 3dhu s ALA 395 N 0.28 3.01 0.64 4.21 0.00 -1.26 -4.67 121.76 123.98 3dhu s ALA 395 Ca 0.62 1.33 -0.17 0.00 0.00 0.00 0.00 51.96 53.74 3dhu s ALA 395 Cb -0.43 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 3dhu s ALA 395 CO 0.40 -1.20 0.84 0.00 0.00 0.00 0.00 175.76 175.80 3dhu n ALA 396 N -0.59 -0.33 0.00 0.00 0.00 -1.26 -4.89 120.51 113.44 3dhu n ALA 396 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3dhu n ALA 396 Cb 0.44 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3dhu n ALA 396 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhu n GLY 397 N 1.39 0.01 3.60 0.00 0.00 -0.96 -4.96 105.19 104.27 3dhu n GLY 397 Ca 0.13 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 3dhu n GLY 397 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dhu s SER 398 N -0.05 6.25 0.18 1.61 0.15 -1.26 -1.03 113.70 119.54 3dhu s SER 398 Ca 0.00 0.28 0.08 0.00 0.70 0.00 0.00 55.95 57.01 3dhu s SER 398 Cb 0.00 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 3dhu s SER 398 CO 0.00 -0.19 -0.04 -0.31 1.20 0.00 0.00 173.24 173.90 3dhu s TYR 399 N 2.07 2.74 -0.19 3.44 2.02 0.16 -4.89 117.35 122.70 3dhu s TYR 399 Ca 0.15 -0.18 -0.23 0.00 -0.37 0.00 0.00 57.07 56.44 3dhu s TYR 399 Cb -0.16 -1.33 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 3dhu s TYR 399 CO 0.10 0.52 0.76 -1.14 -1.57 0.00 0.00 175.55 174.21 3dhu s GLN 400 N -2.90 4.25 -0.39 -0.62 0.74 -1.26 0.18 119.66 119.67 3dhu s GLN 400 Ca 0.26 0.86 -0.29 0.00 0.05 0.00 0.00 55.36 56.24 3dhu s GLN 400 Cb -0.09 -3.59 0.01 0.00 1.10 0.00 0.00 33.01 30.44 3dhu s GLN 400 CO 0.17 -0.32 1.34 1.21 -0.55 0.00 0.00 175.29 177.14 3dhu s ASN 401 N 1.20 6.48 0.58 6.67 3.84 0.63 -4.56 114.94 129.79 3dhu s ASN 401 Ca 0.34 0.90 0.30 0.00 0.21 0.00 0.00 52.86 54.61 3dhu s ASN 401 Cb -0.16 -2.54 1.79 0.00 -0.55 0.00 0.00 41.25 39.79 3dhu s ASN 401 CO 0.11 -1.30 2.23 -0.07 -2.79 0.00 0.00 177.10 175.28 3dhu h LEU 402 N 11.66 0.00 -0.63 3.21 4.07 -1.25 0.34 115.31 132.71 3dhu h LEU 402 Ca -0.26 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.55 3dhu h LEU 402 Cb 1.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 3dhu h LEU 402 CO 1.07 0.02 -0.50 0.25 -1.08 0.00 0.00 178.44 178.21 3dhu h LEU 403 N 0.00 0.52 0.00 1.67 5.85 -1.90 -3.33 115.31 118.13 3dhu h LEU 403 Ca -0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3dhu h LEU 403 Cb 0.05 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3dhu h LEU 403 CO 0.00 0.93 -0.59 0.35 -0.34 0.00 0.00 178.44 178.80 3dhu n THR 404 N -3.97 0.00 -1.47 1.05 -2.24 -0.83 -4.96 114.28 101.85 3dhu n THR 404 Ca -0.02 -0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 3dhu n THR 404 Cb 0.57 0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 69.52 3dhu n THR 404 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dhu n ASP 405 N -1.32 -4.86 -4.94 3.42 8.00 0.11 -4.99 116.55 111.97 3dhu n ASP 405 Ca 0.00 0.41 -0.25 0.00 0.71 0.00 0.00 54.79 55.67 3dhu n ASP 405 Cb 0.11 -4.20 -0.03 0.00 -0.02 0.00 0.00 41.12 36.98 3dhu n ASP 405 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dhu s GLY 406 N -2.48 1.58 0.20 0.44 0.00 -1.23 -4.83 107.32 101.01 3dhu s GLY 406 Ca 0.00 -1.09 -0.31 0.00 0.00 0.00 0.00 44.72 43.32 3dhu s GLY 406 CO 0.00 -1.10 1.49 2.56 0.00 0.00 0.00 173.10 176.05 3dhu s PRO 407 N -3.42 4.25 -0.14 2.90 0.04 -1.26 -0.27 135.00 137.09 3dhu s PRO 407 Ca 0.34 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.70 3dhu s PRO 407 Cb -0.10 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.31 3dhu s PRO 407 CO 0.28 -0.50 -0.19 0.99 0.04 0.00 0.00 177.00 177.62 3dhu s THR 408 N 0.59 1.90 -0.14 1.26 2.01 0.49 -4.85 115.64 116.91 3dhu s THR 408 Ca 0.64 -0.87 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 3dhu s THR 408 Cb -0.42 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 3dhu s THR 408 CO 0.37 0.52 0.37 -1.61 -0.69 0.00 0.00 174.62 173.57 3dhu s GLU 409 N 1.01 4.27 -0.28 4.92 0.41 -1.26 0.36 118.70 128.13 3dhu s GLU 409 Ca -0.03 0.25 -0.11 0.00 -0.41 0.00 0.00 54.97 54.66 3dhu s GLU 409 Cb -0.15 -3.42 -0.05 0.00 -1.78 0.00 0.00 34.13 28.74 3dhu s GLU 409 CO -0.05 0.23 0.19 0.08 -0.49 0.00 0.00 175.26 175.22 3dhu s VAL 410 N 0.46 5.28 -0.08 2.63 1.01 -0.20 -4.33 120.40 125.16 3dhu s VAL 410 Ca 0.20 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 3dhu s VAL 410 Cb -0.14 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3dhu s VAL 410 CO 0.07 0.23 -0.06 -0.69 0.00 0.00 0.00 175.10 174.65 3dhu s VAL 411 N 1.75 0.78 -1.49 2.92 1.01 0.52 -2.27 120.40 123.63 3dhu s VAL 411 Ca 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 3dhu s VAL 411 Cb -0.16 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.46 3dhu s VAL 411 CO 0.11 0.31 0.89 0.47 0.00 0.00 0.00 175.10 176.88 3dhu n ASP 412 N 4.69 -3.72 -0.18 3.32 8.00 -1.26 -1.53 116.55 125.87 3dhu n ASP 412 Ca -0.14 -0.81 -0.02 0.00 0.71 0.00 0.00 54.79 54.52 3dhu n ASP 412 Cb 0.50 -3.83 -0.01 0.00 -0.02 0.00 0.00 41.12 37.76 3dhu n ASP 412 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dhu n GLY 413 N -1.67 0.57 3.06 0.44 0.00 -1.26 -5.01 105.19 101.31 3dhu n GLY 413 Ca -0.05 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 3dhu n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dhu s LYS 414 N -1.54 0.52 0.01 1.61 1.02 -0.59 -0.50 119.74 120.28 3dhu s LYS 414 Ca 0.00 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.18 3dhu s LYS 414 Cb 0.00 -0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.14 3dhu s LYS 414 CO 0.00 0.01 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.23 3dhu s LEU 415 N -1.81 2.10 -0.10 3.17 0.20 -0.35 -0.36 118.68 121.53 3dhu s LEU 415 Ca -0.08 -0.24 -0.22 0.00 0.69 0.00 0.00 54.13 54.28 3dhu s LEU 415 Cb -0.07 -0.12 -0.03 0.00 -0.43 0.00 0.00 46.19 45.53 3dhu s LEU 415 CO -0.01 -0.07 0.67 -0.89 -0.29 0.00 0.00 176.35 175.75 3dhu s THR 416 N -0.59 5.05 -0.36 3.68 2.01 -1.26 0.52 115.64 124.69 3dhu s THR 416 Ca -0.04 1.35 -0.09 0.00 0.31 0.00 0.00 61.69 63.22 3dhu s THR 416 Cb -0.05 -4.00 0.04 0.00 0.01 0.00 0.00 72.50 68.50 3dhu s THR 416 CO -0.00 0.22 0.17 -0.69 -0.69 0.00 0.00 174.62 173.63 3dhu s VAL 417 N 1.06 4.21 -0.90 3.82 1.01 0.78 -4.94 120.40 125.42 3dhu s VAL 417 Ca 0.34 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 3dhu s VAL 417 Cb -0.17 -3.38 0.28 0.00 0.00 0.00 0.00 36.38 33.11 3dhu s VAL 417 CO 0.15 -0.24 2.09 -0.67 0.00 0.00 0.00 175.10 176.44 3dhu n ASP 418 N 4.91 7.39 0.00 3.32 2.03 -1.26 -1.14 116.55 131.81 3dhu n ASP 418 Ca -0.12 -3.64 0.00 0.00 0.52 0.00 0.00 54.79 51.55 3dhu n ASP 418 Cb 0.45 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 3dhu n ASP 418 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dhu n GLY 419 N 0.01 0.74 3.17 0.27 0.00 0.07 -4.91 105.19 104.54 3dhu n GLY 419 Ca 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 3dhu n GLY 419 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhu s GLN 420 N -0.21 0.85 0.47 1.61 -1.52 -1.26 -4.53 119.66 115.08 3dhu s GLN 420 Ca 0.00 -1.36 -0.22 0.00 -1.95 0.00 0.00 55.36 51.83 3dhu s GLN 420 Cb 0.00 -0.13 -0.07 0.00 -0.22 0.00 0.00 33.01 32.59 3dhu s GLN 420 CO 0.00 -0.07 1.16 -2.14 -0.25 0.00 0.00 175.29 173.99 3dhu s PRO 421 N -3.87 3.69 -0.21 2.91 0.02 -1.26 -4.69 135.00 131.60 3dhu s PRO 421 Ca 0.14 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.91 3dhu s PRO 421 Cb 0.06 -2.34 0.02 0.00 0.02 0.00 0.00 34.50 32.26 3dhu s PRO 421 CO -0.04 -0.60 -0.15 0.08 -0.33 0.00 0.00 177.00 175.97 3dhu s VAL 422 N -1.58 2.34 -0.16 3.83 1.01 -0.67 -4.87 120.40 120.29 3dhu s VAL 422 Ca 0.65 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 3dhu s VAL 422 Cb -0.28 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 3dhu s VAL 422 CO 0.33 0.39 -0.14 -0.76 0.00 0.00 0.00 175.10 174.92 3dhu s LEU 423 N 1.29 2.54 -0.06 3.92 1.02 -1.26 -1.04 118.68 125.09 3dhu s LEU 423 Ca 0.02 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 53.73 3dhu s LEU 423 Cb -0.15 -1.59 0.02 0.00 0.02 0.00 0.00 46.19 44.50 3dhu s LEU 423 CO -0.09 0.08 -0.06 -0.63 0.02 0.00 0.00 176.35 175.67 3dhu s ILE 424 N 0.85 0.68 -0.13 -0.59 1.01 0.19 -0.74 121.20 122.47 3dhu s ILE 424 Ca -0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 3dhu s ILE 424 Cb -0.15 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3dhu s ILE 424 CO -0.00 0.27 0.08 -0.75 0.00 0.00 0.00 174.94 174.54 3dhu s LYS 425 N 1.07 3.44 0.21 2.79 2.20 -1.26 -1.53 119.74 126.66 3dhu s LYS 425 Ca -0.08 -0.27 -0.17 0.00 -0.36 0.00 0.00 55.97 55.09 3dhu s LYS 425 Cb -0.14 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.12 3dhu s LYS 425 CO -0.01 0.63 0.53 1.52 -0.36 0.00 0.00 175.35 177.66 3dhu s TYR 426 N -0.63 -0.02 -2.04 4.03 1.13 -0.59 -4.99 117.35 114.24 3dhu s TYR 426 Ca 0.12 -0.34 0.32 0.00 -1.41 0.00 0.00 57.07 55.76 3dhu s TYR 426 Cb -0.12 0.37 1.84 0.00 -1.10 0.00 0.00 41.96 42.95 3dhu s TYR 426 CO 0.02 -0.95 2.19 0.28 -2.51 0.00 0.00 175.55 174.58