#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dv2 s LYS 3 N 0.00 3.37 -0.08 5.56 1.02 -1.26 -1.13 119.74 127.22 3dv2 s LYS 3 Ca 0.00 1.50 0.03 0.00 0.02 0.00 0.00 55.97 57.52 3dv2 s LYS 3 Cb 0.00 -4.19 0.01 0.00 -0.52 0.00 0.00 37.83 33.13 3dv2 s LYS 3 CO 0.00 -1.81 -0.17 0.42 -0.92 0.00 0.00 175.35 172.87 3dv2 s ILE 4 N 6.80 1.50 0.15 2.17 -1.09 -0.89 -0.81 121.20 129.04 3dv2 s ILE 4 Ca 0.81 -0.69 -0.13 0.00 -2.23 0.00 0.00 60.65 58.41 3dv2 s ILE 4 Cb -0.24 -1.34 -0.07 0.00 -1.58 0.00 0.00 42.46 39.23 3dv2 s ILE 4 CO 0.34 0.44 0.53 -0.83 -1.23 0.00 0.00 174.94 174.18 3dv2 s GLY 5 N 0.62 2.41 -0.06 6.18 0.00 0.20 -0.04 107.32 116.62 3dv2 s GLY 5 Ca -0.15 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.41 3dv2 s GLY 5 CO 0.04 0.05 -0.16 -0.42 0.00 0.00 0.00 173.10 172.61 3dv2 s ILE 6 N -1.52 1.39 -0.10 0.90 -1.09 0.36 0.14 121.20 121.28 3dv2 s ILE 6 Ca 0.39 -0.66 -0.03 0.00 -2.23 0.00 0.00 60.65 58.12 3dv2 s ILE 6 Cb -0.14 -1.22 0.04 0.00 -1.58 0.00 0.00 42.46 39.56 3dv2 s ILE 6 CO 0.19 0.41 0.05 -0.51 -1.23 0.00 0.00 174.94 173.85 3dv2 s ILE 7 N 0.31 0.12 0.63 2.92 1.10 -0.54 -1.14 121.20 124.59 3dv2 s ILE 7 Ca -0.10 0.08 0.06 0.00 -0.51 0.00 0.00 60.65 60.18 3dv2 s ILE 7 Cb -0.14 -0.47 0.10 0.00 0.15 0.00 0.00 42.46 42.10 3dv2 s ILE 7 CO 0.04 0.05 0.87 -0.83 -2.11 0.00 0.00 174.94 172.96 3dv2 s GLY 8 N 2.06 1.74 0.00 1.50 0.00 -1.26 -1.41 107.32 109.96 3dv2 s GLY 8 Ca 0.04 -1.98 0.00 0.00 0.00 0.00 0.00 44.72 42.77 3dv2 s GLY 8 CO -0.06 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.17 3dv2 n GLY 9 N -2.47 2.81 0.07 0.20 0.00 -1.21 -4.92 105.19 99.66 3dv2 n GLY 9 Ca 0.15 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.51 3dv2 n GLY 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dv2 h THR 10 N 1.26 1.68 -5.75 2.61 1.35 -1.91 0.87 112.91 113.02 3dv2 h THR 10 Ca 0.00 -3.33 -0.35 0.00 -0.55 0.00 0.00 66.41 62.18 3dv2 h THR 10 Cb 0.00 2.80 0.14 0.00 -1.73 0.00 0.00 68.15 69.37 3dv2 h THR 10 CO 0.00 0.95 -0.80 0.49 -0.25 0.00 0.00 175.52 175.90 3dv2 n PHE 11 N -3.36 -2.15 -3.37 4.73 3.01 -1.26 -4.68 117.46 110.38 3dv2 n PHE 11 Ca 0.00 0.89 -0.26 0.00 1.01 0.00 0.00 57.45 59.09 3dv2 n PHE 11 Cb 0.92 -4.72 -0.08 0.00 -0.01 0.00 0.00 39.48 35.59 3dv2 n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3dv2 n ASP 12 N -3.11 2.50 -4.99 4.37 2.03 -1.26 -3.25 116.55 112.84 3dv2 n ASP 12 Ca -0.26 -3.17 -0.19 0.00 0.52 0.00 0.00 54.79 51.69 3dv2 n ASP 12 Cb 0.66 -0.66 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 3dv2 n ASP 12 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3dv2 s PRO 13 N -1.97 2.55 0.62 -0.67 0.04 -1.26 -4.58 135.00 129.73 3dv2 s PRO 13 Ca 0.38 -1.30 -0.14 0.00 0.04 0.00 0.00 61.00 59.97 3dv2 s PRO 13 Cb 0.15 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 3dv2 s PRO 13 CO -0.05 -0.59 1.06 -1.25 0.04 0.00 0.00 177.00 176.20 3dv2 s PRO 14 N -4.56 3.20 0.31 0.56 0.04 -1.20 -4.58 135.00 128.78 3dv2 s PRO 14 Ca 0.58 1.13 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 3dv2 s PRO 14 Cb -0.08 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.45 3dv2 s PRO 14 CO 0.36 -0.90 0.53 -3.38 0.04 0.00 0.00 177.00 173.66 3dv2 s HIS 15 N -2.63 0.61 0.42 0.56 -3.43 -1.26 -4.79 115.29 104.78 3dv2 s HIS 15 Ca 0.62 -0.98 0.14 0.00 -0.80 0.00 0.00 55.06 54.05 3dv2 s HIS 15 Cb -0.15 0.19 1.02 0.00 -1.43 0.00 0.00 32.58 32.21 3dv2 s HIS 15 CO 0.42 -1.16 1.94 1.88 -2.00 0.00 0.00 174.74 175.83 3dv2 h TYR 16 N 2.15 0.49 -0.61 0.38 0.05 -1.86 -0.66 116.97 116.90 3dv2 h TYR 16 Ca -0.28 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.55 3dv2 h TYR 16 Cb 1.25 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.79 3dv2 h TYR 16 CO 1.03 0.21 0.40 0.78 -1.05 0.00 0.00 178.16 179.53 3dv2 h GLY 17 N 0.44 0.81 0.61 3.88 0.00 -1.87 0.57 103.07 107.51 3dv2 h GLY 17 Ca 0.33 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3dv2 h GLY 17 CO -0.10 0.24 -0.03 0.45 0.00 0.00 0.00 176.54 177.09 3dv2 h HIS 18 N 0.70 -0.09 -0.56 5.60 3.86 -1.49 -2.24 115.15 120.93 3dv2 h HIS 18 Ca 0.25 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 3dv2 h HIS 18 Cb 0.11 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3dv2 h HIS 18 CO -0.00 0.29 0.29 -0.07 0.86 0.00 0.00 177.93 179.30 3dv2 h LEU 19 N -0.49 0.72 0.20 2.43 3.38 -1.21 -1.42 115.31 118.92 3dv2 h LEU 19 Ca -0.01 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3dv2 h LEU 19 Cb 0.42 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3dv2 h LEU 19 CO 0.02 0.62 -0.27 0.25 0.09 0.00 0.00 178.44 179.15 3dv2 h LEU 20 N 0.76 -0.74 -0.66 1.67 5.85 0.12 -0.14 115.31 122.18 3dv2 h LEU 20 Ca 0.20 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.04 3dv2 h LEU 20 Cb 0.08 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3dv2 h LEU 20 CO -0.03 -0.37 0.38 0.40 -0.34 0.00 0.00 178.44 178.48 3dv2 h ILE 21 N -0.53 1.01 -0.57 4.05 2.04 -1.30 0.12 117.51 122.32 3dv2 h ILE 21 Ca 0.01 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 3dv2 h ILE 21 Cb 0.52 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3dv2 h ILE 21 CO -0.10 0.13 0.12 0.00 0.00 0.00 0.00 178.15 178.30 3dv2 h ALA 22 N 1.32 0.76 -0.33 1.87 0.00 -1.03 -1.38 119.26 120.47 3dv2 h ALA 22 Ca 0.28 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3dv2 h ALA 22 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dv2 h ALA 22 CO -0.15 0.48 -0.00 -0.97 0.00 0.00 0.00 179.25 178.60 3dv2 h ASN 23 N 0.83 0.58 -0.29 0.00 -0.73 -0.47 0.41 115.58 115.91 3dv2 h ASN 23 Ca 0.18 -0.31 -0.01 0.00 1.87 0.00 0.00 56.30 58.03 3dv2 h ASN 23 Cb 0.37 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 3dv2 h ASN 23 CO 0.01 0.75 0.16 -0.33 -0.37 0.00 0.00 177.43 177.64 3dv2 h GLU 24 N 0.39 0.41 -0.39 6.67 4.39 -0.66 -2.31 114.58 123.09 3dv2 h GLU 24 Ca 0.09 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 3dv2 h GLU 24 Cb 0.45 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3dv2 h GLU 24 CO 0.02 0.36 0.01 0.28 -1.16 0.00 0.00 179.01 178.52 3dv2 h VAL 25 N 0.35 1.26 -0.32 3.13 2.07 -1.21 0.92 116.25 122.45 3dv2 h VAL 25 Ca 0.10 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.70 3dv2 h VAL 25 Cb 0.07 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 3dv2 h VAL 25 CO -0.02 0.33 -0.30 0.22 0.02 0.00 0.00 177.57 177.83 3dv2 h TYR 26 N 0.51 -0.82 0.09 1.57 3.20 -0.79 0.50 116.97 121.23 3dv2 h TYR 26 Ca 0.11 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3dv2 h TYR 26 Cb 0.46 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.14 3dv2 h TYR 26 CO 0.04 -0.37 -0.04 0.45 -1.64 0.00 0.00 178.16 176.60 3dv2 h HIS 27 N -0.27 -0.11 -0.80 -3.82 3.86 -1.36 0.11 115.15 112.76 3dv2 h HIS 27 Ca 0.15 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.52 3dv2 h HIS 27 Cb 0.52 0.04 -0.10 0.00 1.06 0.00 0.00 27.41 28.92 3dv2 h HIS 27 CO -0.48 0.38 0.33 0.00 0.86 0.00 0.00 177.93 179.03 3dv2 h ALA 28 N 0.12 1.18 -0.02 2.45 0.00 -0.62 -1.56 119.26 120.80 3dv2 h ALA 28 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dv2 h ALA 28 Cb 0.54 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3dv2 h ALA 28 CO 0.02 -0.23 -0.21 1.28 0.00 0.00 0.00 179.25 180.11 3dv2 n LEU 29 N -5.00 2.50 -2.84 0.00 4.77 0.15 -4.99 117.00 111.59 3dv2 n LEU 29 Ca 0.17 -0.86 -0.13 0.00 -0.03 0.00 0.00 56.01 55.15 3dv2 n LEU 29 Cb 0.48 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.63 3dv2 n LEU 29 CO 0.17 0.43 0.09 -3.20 -1.33 0.00 0.00 177.39 173.56 3dv2 n ASN 30 N 0.69 -2.36 -4.81 -1.43 5.15 -0.30 -5.00 115.26 107.19 3dv2 n ASN 30 Ca 0.12 -0.46 -0.30 0.00 -0.60 0.00 0.00 54.58 53.34 3dv2 n ASN 30 Cb 0.53 -3.99 0.08 0.00 -0.53 0.00 0.00 39.78 35.87 3dv2 n ASN 30 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3dv2 s LEU 31 N -5.34 2.65 -0.12 1.20 1.43 0.23 -4.93 118.68 113.80 3dv2 s LEU 31 Ca 0.04 1.30 0.17 0.00 -1.03 0.00 0.00 54.13 54.62 3dv2 s LEU 31 Cb -0.02 -3.94 -0.24 0.00 0.03 0.00 0.00 46.19 42.01 3dv2 s LEU 31 CO 0.55 -1.89 0.32 1.21 0.23 0.00 0.00 176.35 176.77 3dv2 n GLU 32 N -3.38 0.67 -3.48 1.70 2.13 0.01 -4.91 120.64 113.37 3dv2 n GLU 32 Ca 0.07 0.05 -0.10 0.00 0.66 0.00 0.00 57.16 57.84 3dv2 n GLU 32 Cb 0.56 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.64 3dv2 n GLU 32 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3dv2 s GLU 33 N -2.69 1.17 -0.05 5.31 2.02 -1.21 -4.91 118.70 118.35 3dv2 s GLU 33 Ca -0.08 -0.46 0.03 0.00 0.02 0.00 0.00 54.97 54.48 3dv2 s GLU 33 Cb 0.08 0.52 0.01 0.00 0.10 0.00 0.00 34.13 34.84 3dv2 s GLU 33 CO 0.84 -0.51 -0.12 0.08 0.02 0.00 0.00 175.26 175.56 3dv2 s VAL 34 N -3.55 1.09 -0.06 2.63 1.01 -1.00 0.62 120.40 121.12 3dv2 s VAL 34 Ca 0.03 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3dv2 s VAL 34 Cb -0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3dv2 s VAL 34 CO -0.10 0.34 -0.06 0.26 0.00 0.00 0.00 175.10 175.54 3dv2 s TRP 35 N 0.51 2.96 -0.37 5.22 0.51 0.38 -1.94 118.94 126.21 3dv2 s TRP 35 Ca -0.11 0.04 -0.14 0.00 -2.12 0.00 0.00 56.10 53.76 3dv2 s TRP 35 Cb -0.14 -1.71 0.00 0.00 -0.81 0.00 0.00 33.47 30.81 3dv2 s TRP 35 CO 0.03 0.35 0.29 -0.06 -0.51 0.00 0.00 176.95 177.05 3dv2 s PHE 36 N -0.84 3.23 -0.66 -1.98 0.40 0.77 -1.47 117.98 117.43 3dv2 s PHE 36 Ca 0.13 -0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 55.95 3dv2 s PHE 36 Cb -0.11 -2.57 0.16 0.00 0.51 0.00 0.00 43.02 41.02 3dv2 s PHE 36 CO 0.02 -0.48 0.62 -1.17 0.70 0.00 0.00 175.22 174.91 3dv2 s LEU 37 N 1.76 6.39 0.24 -0.37 2.96 -0.50 -1.11 118.68 128.05 3dv2 s LEU 37 Ca 0.07 -2.14 -0.31 0.00 -0.22 0.00 0.00 54.13 51.53 3dv2 s LEU 37 Cb -0.18 -2.21 -0.11 0.00 0.50 0.00 0.00 46.19 44.19 3dv2 s LEU 37 CO 0.11 -0.75 1.55 -2.84 -1.32 0.00 0.00 176.35 173.09 3dv2 s PRO 38 N 1.06 4.19 -0.07 0.98 0.02 -1.25 -3.33 135.00 136.60 3dv2 s PRO 38 Ca 0.09 2.44 -0.05 0.00 0.02 0.00 0.00 61.00 63.51 3dv2 s PRO 38 Cb -0.22 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 3dv2 s PRO 38 CO -0.02 -0.57 0.15 -0.80 -0.33 0.00 0.00 177.00 175.43 3dv2 s ASN 39 N 0.66 6.30 0.61 2.53 0.02 0.30 -3.78 114.94 121.58 3dv2 s ASN 39 Ca 0.65 0.39 -0.15 0.00 -1.02 0.00 0.00 52.86 52.73 3dv2 s ASN 39 Cb -0.45 -2.00 -0.03 0.00 0.02 0.00 0.00 41.25 38.79 3dv2 s ASN 39 CO 0.41 0.34 1.06 -1.58 0.02 0.00 0.00 177.10 177.35 3dv2 s GLN 40 N -1.42 3.28 -0.27 -0.60 2.00 -1.26 -4.44 119.66 116.96 3dv2 s GLN 40 Ca 0.20 1.17 -0.29 0.00 -2.00 0.00 0.00 55.36 54.44 3dv2 s GLN 40 Cb -0.12 -2.03 -0.01 0.00 0.80 0.00 0.00 33.01 31.65 3dv2 s GLN 40 CO 0.10 -0.84 1.36 0.42 -0.50 0.00 0.00 175.29 175.84 3dv2 s ILE 41 N -2.54 4.06 0.60 -2.34 1.01 -1.26 -4.96 121.20 115.77 3dv2 s ILE 41 Ca 0.63 1.20 -0.18 0.00 0.00 0.00 0.00 60.65 62.30 3dv2 s ILE 41 Cb -0.16 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 3dv2 s ILE 41 CO 0.39 -0.40 0.24 -0.81 0.00 0.00 0.00 174.94 174.35 3dv2 n PRO 42 N 7.32 0.27 -0.31 2.79 -0.04 -1.26 -4.62 135.00 139.15 3dv2 n PRO 42 Ca 0.15 0.11 -0.04 0.00 -0.04 0.00 0.00 63.50 63.69 3dv2 n PRO 42 Cb 0.46 -1.45 0.01 0.00 -0.04 0.00 0.00 33.50 32.48 3dv2 n PRO 42 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3dv2 h PRO 43 N -0.02 -0.08 0.00 0.54 0.11 -1.97 0.12 132.00 130.71 3dv2 h PRO 43 Ca -0.44 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3dv2 h PRO 43 Cb 1.40 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.53 3dv2 h PRO 43 CO 0.43 -0.05 0.00 -2.39 -0.21 0.00 0.00 178.00 175.78 3dv2 n HIS 44 N -5.43 0.11 0.92 0.65 1.44 -1.26 -2.03 115.22 109.61 3dv2 n HIS 44 Ca 0.07 0.05 0.11 0.00 -2.01 0.00 0.00 57.72 55.93 3dv2 n HIS 44 Cb 0.37 -0.57 0.06 0.00 0.12 0.00 0.00 29.99 29.97 3dv2 n HIS 44 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3dv2 n LYS 45 N -1.60 1.85 -2.77 -1.40 5.02 0.37 -4.98 118.16 114.65 3dv2 n LYS 45 Ca 0.03 -1.56 -0.30 0.00 -2.02 0.00 0.00 58.31 54.46 3dv2 n LYS 45 Cb 0.15 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 3dv2 n LYS 45 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3dv2 s GLN 46 N -1.97 3.73 0.00 1.97 -0.21 -0.86 -4.89 119.66 117.43 3dv2 s GLN 46 Ca 0.23 0.43 0.00 0.00 0.02 0.00 0.00 55.36 56.04 3dv2 s GLN 46 Cb 0.18 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.81 3dv2 s GLN 46 CO 0.35 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.83 3dv2 n GLY 47 N -1.54 0.55 0.00 3.09 0.00 -1.26 -4.99 105.19 101.03 3dv2 n GLY 47 Ca 0.02 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.16 3dv2 n GLY 47 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dv2 n ARG 48 N -0.28 0.13 -0.01 1.61 1.85 -1.26 -2.59 116.66 116.11 3dv2 n ARG 48 Ca 0.00 0.20 0.07 0.00 -1.00 0.00 0.00 57.85 57.12 3dv2 n ARG 48 Cb 0.00 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 29.98 3dv2 n ARG 48 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3dv2 n ASN 49 N -1.30 2.27 -4.76 2.89 3.02 -1.26 -5.02 115.26 111.10 3dv2 n ASN 49 Ca 0.05 -1.63 -0.29 0.00 -0.03 0.00 0.00 54.58 52.67 3dv2 n ASN 49 Cb 0.08 -0.02 0.11 0.00 -0.61 0.00 0.00 39.78 39.35 3dv2 n ASN 49 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3dv2 s ILE 50 N -1.21 2.00 0.38 2.41 -4.36 -1.07 -4.87 121.20 114.49 3dv2 s ILE 50 Ca 0.18 0.00 -0.22 0.00 -0.26 0.00 0.00 60.65 60.35 3dv2 s ILE 50 Cb 0.12 -2.96 -0.10 0.00 1.25 0.00 0.00 42.46 40.77 3dv2 s ILE 50 CO 0.18 0.00 0.92 -0.89 0.24 0.00 0.00 174.94 175.39 3dv2 s THR 51 N -3.58 4.38 0.37 8.37 2.01 -1.26 -5.01 115.64 120.92 3dv2 s THR 51 Ca 0.64 1.51 -0.09 0.00 0.31 0.00 0.00 61.69 64.06 3dv2 s THR 51 Cb -0.10 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 3dv2 s THR 51 CO 0.50 -0.16 0.71 -0.94 -0.69 0.00 0.00 174.62 174.04 3dv2 s SER 52 N -2.01 6.51 0.34 3.53 1.04 -1.26 -4.91 113.70 116.94 3dv2 s SER 52 Ca 0.57 1.03 0.07 0.00 0.48 0.00 0.00 55.95 58.10 3dv2 s SER 52 Cb -0.12 -2.28 0.74 0.00 0.10 0.00 0.00 66.02 64.47 3dv2 s SER 52 CO 0.17 -0.34 1.88 0.58 0.98 0.00 0.00 173.24 176.51 3dv2 h VAL 53 N 1.20 0.90 -0.24 5.02 2.07 -1.98 0.26 116.25 123.47 3dv2 h VAL 53 Ca -0.47 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3dv2 h VAL 53 Cb 1.19 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3dv2 h VAL 53 CO 0.64 0.14 0.13 -0.08 0.02 0.00 0.00 177.57 178.43 3dv2 h GLU 54 N 0.78 0.34 0.33 1.57 4.81 -1.98 0.10 114.58 120.52 3dv2 h GLU 54 Ca 0.43 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 3dv2 h GLU 54 Cb 0.57 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3dv2 h GLU 54 CO -0.19 0.31 -0.16 0.77 -0.73 0.00 0.00 179.01 179.01 3dv2 h SER 55 N 0.27 -0.38 -0.56 1.04 0.02 -1.51 -0.85 113.55 111.59 3dv2 h SER 55 Ca 0.08 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 3dv2 h SER 55 Cb 0.07 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.63 3dv2 h SER 55 CO -0.01 -0.26 0.11 0.03 -1.14 0.00 0.00 176.83 175.56 3dv2 h ARG 56 N -0.46 0.24 -0.17 3.45 3.08 -0.89 -0.63 114.38 118.99 3dv2 h ARG 56 Ca -0.05 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3dv2 h ARG 56 Cb 0.35 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3dv2 h ARG 56 CO 0.08 0.16 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.95 3dv2 h LEU 57 N 0.24 0.26 -0.33 3.04 3.38 -0.57 -1.76 115.31 119.57 3dv2 h LEU 57 Ca 0.29 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 58.02 3dv2 h LEU 57 Cb 0.42 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3dv2 h LEU 57 CO -0.38 0.40 -0.83 1.56 0.09 0.00 0.00 178.44 179.29 3dv2 h GLN 58 N 0.26 0.28 -0.14 1.13 1.08 0.26 -0.49 115.11 117.49 3dv2 h GLN 58 Ca 0.05 -0.27 -0.16 0.00 -1.45 0.00 0.00 58.65 56.82 3dv2 h GLN 58 Cb 0.37 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3dv2 h GLN 58 CO 0.02 0.96 -0.58 0.52 -0.95 0.00 0.00 178.83 178.80 3dv2 h MET 59 N 0.17 0.44 -0.27 1.46 2.86 -0.89 -0.97 114.93 117.74 3dv2 h MET 59 Ca -0.04 -0.29 -0.12 0.00 -2.06 0.00 0.00 59.70 57.19 3dv2 h MET 59 Cb 1.43 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.12 3dv2 h MET 59 CO 0.13 0.89 -0.34 1.25 1.06 0.00 0.00 176.91 179.90 3dv2 h LEU 60 N 0.33 0.61 0.04 1.22 5.85 -1.24 0.13 115.31 122.25 3dv2 h LEU 60 Ca 0.00 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3dv2 h LEU 60 Cb 1.11 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3dv2 h LEU 60 CO 0.10 0.91 -0.02 -0.08 -0.34 0.00 0.00 178.44 179.01 3dv2 h GLU 61 N 0.50 -0.05 -0.81 1.25 4.57 -0.86 -1.69 114.58 117.49 3dv2 h GLU 61 Ca 0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3dv2 h GLU 61 Cb 0.83 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.39 3dv2 h GLU 61 CO 0.07 0.16 0.49 -0.07 -1.18 0.00 0.00 179.01 178.47 3dv2 h LEU 62 N -0.24 0.98 -1.46 1.64 3.38 -0.99 0.23 115.31 118.86 3dv2 h LEU 62 Ca -0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3dv2 h LEU 62 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3dv2 h LEU 62 CO 0.01 0.76 -0.27 0.00 0.09 0.00 0.00 178.44 179.02 3dv2 h ALA 63 N 1.26 1.45 -0.01 1.53 0.00 -0.61 -3.26 119.26 119.62 3dv2 h ALA 63 Ca 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dv2 h ALA 63 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dv2 h ALA 63 CO -0.05 0.34 -0.03 0.25 0.00 0.00 0.00 179.25 179.76 3dv2 n THR 64 N -4.07 0.00 0.10 0.00 -2.24 -0.65 -4.67 114.28 102.75 3dv2 n THR 64 Ca -0.02 -0.48 0.11 0.00 -2.27 0.00 0.00 64.05 61.39 3dv2 n THR 64 Cb 0.34 1.11 0.60 0.00 -2.10 0.00 0.00 70.33 70.28 3dv2 n THR 64 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3dv2 h GLU 65 N 1.08 0.15 -0.36 -0.78 4.11 -0.58 -2.09 114.58 116.11 3dv2 h GLU 65 Ca 0.00 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.27 3dv2 h GLU 65 Cb 0.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3dv2 h GLU 65 CO 0.00 0.10 -0.38 0.00 0.07 0.00 0.00 179.01 178.79 3dv2 h ALA 66 N 1.85 0.64 -1.90 1.06 0.00 -1.83 -3.42 119.26 115.66 3dv2 h ALA 66 Ca 0.13 -0.45 -0.58 0.00 0.00 0.00 0.00 54.91 54.01 3dv2 h ALA 66 Cb 0.33 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 3dv2 h ALA 66 CO -0.02 0.67 0.74 -1.21 0.00 0.00 0.00 179.25 179.43 3dv2 s GLU 67 N -4.37 3.77 0.40 0.00 0.41 -0.79 -4.91 118.70 113.21 3dv2 s GLU 67 Ca -0.10 0.56 0.10 0.00 -0.41 0.00 0.00 54.97 55.11 3dv2 s GLU 67 Cb 0.11 -3.85 0.82 0.00 -1.78 0.00 0.00 34.13 29.43 3dv2 s GLU 67 CO 0.87 -1.14 1.94 1.49 -0.49 0.00 0.00 175.26 177.93 3dv2 h GLU 68 N 8.79 0.23 -0.61 1.61 4.81 -1.82 -2.85 114.58 124.74 3dv2 h GLU 68 Ca -0.23 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3dv2 h GLU 68 Cb 1.07 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3dv2 h GLU 68 CO 1.05 0.35 0.00 0.72 -0.73 0.00 0.00 179.01 180.39 3dv2 n HIS 69 N -4.30 0.99 -4.77 0.92 8.25 -1.26 -4.83 115.22 110.22 3dv2 n HIS 69 Ca -0.01 -0.39 -0.33 0.00 -0.26 0.00 0.00 57.72 56.74 3dv2 n HIS 69 Cb 0.24 -0.19 -0.14 0.00 1.12 0.00 0.00 29.99 31.02 3dv2 n HIS 69 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dv2 s PHE 70 N -1.77 2.82 0.13 4.41 0.40 -1.08 -2.38 117.98 120.51 3dv2 s PHE 70 Ca 0.33 -0.61 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 3dv2 s PHE 70 Cb 0.22 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 3dv2 s PHE 70 CO 0.15 -0.19 -0.10 -1.12 0.70 0.00 0.00 175.22 174.66 3dv2 s SER 71 N 0.31 1.67 -0.23 1.36 0.01 -0.82 -4.93 113.70 111.07 3dv2 s SER 71 Ca -0.10 -0.97 -0.09 0.00 1.31 0.00 0.00 55.95 56.10 3dv2 s SER 71 Cb -0.16 0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 3dv2 s SER 71 CO 0.05 -0.32 0.13 -0.63 0.41 0.00 0.00 173.24 172.88 3dv2 s ILE 72 N -3.14 5.14 -0.31 1.44 1.01 -1.26 -0.16 121.20 123.90 3dv2 s ILE 72 Ca 0.14 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.80 3dv2 s ILE 72 Cb 0.02 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 39.12 3dv2 s ILE 72 CO -0.00 0.38 0.13 0.00 0.00 0.00 0.00 174.94 175.44 3dv2 n LEU 74 N 4.93 2.26 -0.29 0.00 4.77 -1.26 -3.90 117.00 123.50 3dv2 n LEU 74 Ca -0.14 -1.13 0.02 0.00 -0.03 0.00 0.00 56.01 54.73 3dv2 n LEU 74 Cb 0.48 -0.31 0.16 0.00 -2.33 0.00 0.00 43.42 41.42 3dv2 n LEU 74 CO 0.33 0.50 1.14 -0.33 -1.33 0.00 0.00 177.39 177.70 3dv2 h GLU 75 N 2.20 0.77 0.17 3.23 4.39 -1.93 0.21 114.58 123.62 3dv2 h GLU 75 Ca 0.00 -0.05 -0.30 0.00 0.34 0.00 0.00 59.36 59.35 3dv2 h GLU 75 Cb 0.63 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3dv2 h GLU 75 CO 0.04 0.51 -1.39 1.49 -1.16 0.00 0.00 179.01 178.50 3dv2 h GLU 76 N 0.80 0.36 -0.02 2.33 4.81 -1.83 -3.27 114.58 117.75 3dv2 h GLU 76 Ca 0.39 -0.61 -0.09 0.00 -0.13 0.00 0.00 59.36 58.92 3dv2 h GLU 76 Cb 0.34 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3dv2 h GLU 76 CO -0.24 1.28 -0.42 1.25 -0.73 0.00 0.00 179.01 180.15 3dv2 h LEU 77 N 0.10 0.04 -1.00 1.64 5.85 -1.61 -2.98 115.31 117.35 3dv2 h LEU 77 Ca -0.20 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 3dv2 h LEU 77 Cb 2.05 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.05 3dv2 h LEU 77 CO 0.22 0.46 -0.33 -1.28 -0.34 0.00 0.00 178.44 177.17 3dv2 h SER 78 N 0.04 0.31 -2.42 1.25 0.87 -0.65 -3.40 113.55 109.55 3dv2 h SER 78 Ca 0.00 -0.11 -0.53 0.00 -1.23 0.00 0.00 61.79 59.91 3dv2 h SER 78 Cb 0.77 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.57 3dv2 h SER 78 CO 0.06 0.63 1.12 -0.13 -0.53 0.00 0.00 176.83 177.98 3dv2 s ARG 79 N -4.31 3.13 0.00 2.24 1.81 -1.13 -4.84 118.95 115.84 3dv2 s ARG 79 Ca -0.05 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 3dv2 s ARG 79 Cb 0.14 -4.20 0.00 0.00 -0.45 0.00 0.00 34.95 30.44 3dv2 s ARG 79 CO 0.77 -2.19 0.20 1.17 -0.68 0.00 0.00 175.30 174.57 3dv2 n LYS 80 N 9.16 0.00 -4.96 3.54 3.00 -1.26 -4.56 118.16 123.08 3dv2 n LYS 80 Ca 0.08 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.12 3dv2 n LYS 80 Cb 0.50 -1.28 -0.15 0.00 0.00 0.00 0.00 35.03 34.09 3dv2 n LYS 80 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3dv2 s GLY 81 N -1.57 1.11 0.28 3.14 0.00 -1.26 -5.12 107.32 103.90 3dv2 s GLY 81 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.42 3dv2 s GLY 81 CO 0.00 -0.86 1.54 -4.14 0.00 0.00 0.00 173.10 169.64 3dv2 s PRO 82 N -0.73 4.17 0.04 2.90 0.02 -1.26 -5.02 135.00 135.11 3dv2 s PRO 82 Ca 0.09 2.49 -0.05 0.00 0.02 0.00 0.00 61.00 63.55 3dv2 s PRO 82 Cb -0.09 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.37 3dv2 s PRO 82 CO 0.00 -0.56 0.07 -1.12 -0.33 0.00 0.00 177.00 175.06 3dv2 s SER 83 N 0.45 0.21 0.75 2.53 0.01 -1.26 -5.16 113.70 111.23 3dv2 s SER 83 Ca 0.62 -0.58 -0.11 0.00 1.31 0.00 0.00 55.95 57.19 3dv2 s SER 83 Cb -0.46 0.22 0.04 0.00 0.21 0.00 0.00 66.02 66.03 3dv2 s SER 83 CO 0.46 -0.50 1.08 -0.31 0.41 0.00 0.00 173.24 174.38 3dv2 s TYR 84 N -2.66 2.77 0.28 2.43 2.02 -1.26 -4.90 117.35 116.02 3dv2 s TYR 84 Ca -0.05 1.49 -0.01 0.00 -0.37 0.00 0.00 57.07 58.13 3dv2 s TYR 84 Cb -0.01 -2.99 0.39 0.00 -0.40 0.00 0.00 41.96 38.95 3dv2 s TYR 84 CO -0.05 -1.61 1.81 1.15 -1.57 0.00 0.00 175.55 175.28 3dv2 h THR 85 N -0.99 1.23 -0.80 -0.71 2.02 -2.00 -2.57 112.91 109.09 3dv2 h THR 85 Ca -0.44 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 65.93 3dv2 h THR 85 Cb 1.23 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 3dv2 h THR 85 CO 0.54 0.31 0.51 0.22 0.37 0.00 0.00 175.52 177.47 3dv2 h TYR 86 N 0.79 0.96 -0.37 3.16 3.20 -1.92 -0.81 116.97 121.98 3dv2 h TYR 86 Ca 0.17 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.93 3dv2 h TYR 86 Cb 0.32 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3dv2 h TYR 86 CO 0.02 0.56 -0.29 -0.44 -1.64 0.00 0.00 178.16 176.37 3dv2 h ASP 87 N 1.00 0.89 0.19 -2.11 3.32 -1.88 -0.16 116.42 117.68 3dv2 h ASP 87 Ca 0.31 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3dv2 h ASP 87 Cb -0.01 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3dv2 h ASP 87 CO -0.11 1.15 -0.20 0.74 -1.72 0.00 0.00 179.24 179.10 3dv2 h THR 88 N 0.65 0.56 -0.01 0.35 2.02 -1.15 -1.05 112.91 114.29 3dv2 h THR 88 Ca 0.07 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 3dv2 h THR 88 Cb 0.86 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3dv2 h THR 88 CO 0.08 0.00 -0.24 0.24 0.37 0.00 0.00 175.52 175.97 3dv2 h MET 89 N -0.43 0.01 -0.12 6.66 2.86 -1.12 -1.72 114.93 121.07 3dv2 h MET 89 Ca 0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3dv2 h MET 89 Cb 0.40 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 3dv2 h MET 89 CO -0.05 0.25 0.02 1.25 1.06 0.00 0.00 176.91 179.43 3dv2 h LEU 90 N 0.01 0.19 -0.21 1.22 5.85 -0.57 -0.63 115.31 121.17 3dv2 h LEU 90 Ca -0.00 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3dv2 h LEU 90 Cb 0.43 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3dv2 h LEU 90 CO 0.03 0.40 0.09 1.56 -0.34 0.00 0.00 178.44 180.19 3dv2 h GLN 91 N -0.03 0.20 -0.97 1.25 1.08 -0.82 -0.76 115.11 115.06 3dv2 h GLN 91 Ca 0.04 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3dv2 h GLN 91 Cb 0.29 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.63 3dv2 h GLN 91 CO 0.00 0.13 0.64 -0.07 -0.95 0.00 0.00 178.83 178.58 3dv2 h LEU 92 N 0.21 1.09 -0.74 1.46 3.38 -1.22 -1.02 115.31 118.47 3dv2 h LEU 92 Ca 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3dv2 h LEU 92 Cb 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3dv2 h LEU 92 CO -0.07 0.77 0.35 0.74 0.09 0.00 0.00 178.44 180.32 3dv2 h THR 93 N 1.28 1.24 -0.17 0.22 2.02 -0.59 0.12 112.91 117.03 3dv2 h THR 93 Ca 0.37 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 3dv2 h THR 93 Cb -0.10 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3dv2 h THR 93 CO -0.09 0.28 -0.01 0.11 0.37 0.00 0.00 175.52 176.18 3dv2 h LYS 94 N 1.03 0.30 0.00 6.66 1.57 -0.43 -2.82 116.57 122.89 3dv2 h LYS 94 Ca 0.25 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 3dv2 h LYS 94 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3dv2 h LYS 94 CO -0.03 0.54 -0.38 -0.22 -0.57 0.00 0.00 179.45 178.79 3dv2 h LYS 95 N 0.04 0.00 -2.18 3.15 3.64 -0.98 -3.34 116.57 116.89 3dv2 h LYS 95 Ca 0.05 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.84 3dv2 h LYS 95 Cb 0.41 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.82 3dv2 h LYS 95 CO 0.01 0.38 -0.85 0.66 -2.27 0.00 0.00 179.45 177.37 3dv2 n TYR 96 N -3.93 1.46 0.11 1.91 4.02 0.40 -4.96 117.16 116.17 3dv2 n TYR 96 Ca -0.02 -3.83 0.19 0.00 -0.01 0.00 0.00 57.90 54.23 3dv2 n TYR 96 Cb 0.43 -0.40 0.75 0.00 -0.02 0.00 0.00 39.34 40.10 3dv2 n TYR 96 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3dv2 h PRO 97 N 4.30 0.00 0.00 -0.72 0.11 -1.63 -1.72 132.00 132.34 3dv2 h PRO 97 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3dv2 h PRO 97 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3dv2 h PRO 97 CO 0.62 0.00 -0.25 -0.40 -0.21 0.00 0.00 178.00 177.76 3dv2 n ASP 98 N -4.00 0.55 -4.81 -2.05 5.75 -1.26 -4.91 116.55 105.82 3dv2 n ASP 98 Ca 0.06 0.31 -0.38 0.00 -0.01 0.00 0.00 54.79 54.76 3dv2 n ASP 98 Cb 0.48 -0.30 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 3dv2 n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3dv2 s VAL 99 N -3.08 4.90 -0.62 2.12 1.01 -0.65 -4.59 120.40 119.48 3dv2 s VAL 99 Ca 0.10 1.05 -0.10 0.00 0.00 0.00 0.00 61.98 63.03 3dv2 s VAL 99 Cb 0.15 -3.82 0.16 0.00 0.00 0.00 0.00 36.38 32.87 3dv2 s VAL 99 CO 0.63 0.54 0.51 -1.58 0.00 0.00 0.00 175.10 175.20 3dv2 s GLN 100 N -0.91 2.89 0.13 2.72 0.74 -0.28 -4.99 119.66 119.95 3dv2 s GLN 100 Ca 0.27 -2.13 -0.30 0.00 0.05 0.00 0.00 55.36 53.24 3dv2 s GLN 100 Cb -0.18 -4.08 -0.07 0.00 1.10 0.00 0.00 33.01 29.78 3dv2 s GLN 100 CO 0.16 -1.24 1.18 -0.06 -0.55 0.00 0.00 175.29 174.79 3dv2 s PHE 101 N 0.72 3.46 -0.33 1.67 0.40 -1.26 -2.08 117.98 120.55 3dv2 s PHE 101 Ca 0.11 1.39 -0.04 0.00 -0.60 0.00 0.00 56.93 57.80 3dv2 s PHE 101 Cb -0.21 -3.40 0.06 0.00 0.51 0.00 0.00 43.02 39.98 3dv2 s PHE 101 CO -0.03 -1.15 0.08 -1.01 0.70 0.00 0.00 175.22 173.80 3dv2 s HIS 102 N 0.41 3.31 -0.31 0.36 3.76 0.94 -1.14 115.29 122.62 3dv2 s HIS 102 Ca 0.55 -1.78 -0.23 0.00 -0.15 0.00 0.00 55.06 53.45 3dv2 s HIS 102 Cb -0.31 -2.37 0.00 0.00 1.11 0.00 0.00 32.58 31.01 3dv2 s HIS 102 CO 0.33 -0.81 0.77 0.12 -0.85 0.00 0.00 174.74 174.30 3dv2 s PHE 103 N 1.30 3.20 -0.15 1.40 5.36 0.33 -0.49 117.98 128.92 3dv2 s PHE 103 Ca -0.02 0.76 -0.22 0.00 -0.96 0.00 0.00 56.93 56.50 3dv2 s PHE 103 Cb -0.20 -3.21 -0.03 0.00 -0.34 0.00 0.00 43.02 39.24 3dv2 s PHE 103 CO -0.00 -0.57 0.67 0.42 -1.46 0.00 0.00 175.22 174.28 3dv2 s ILE 104 N 2.93 5.02 0.21 3.12 1.01 -0.30 -0.21 121.20 132.97 3dv2 s ILE 104 Ca 0.31 1.31 0.02 0.00 0.00 0.00 0.00 60.65 62.29 3dv2 s ILE 104 Cb -0.14 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 3dv2 s ILE 104 CO 0.13 0.15 0.05 0.27 0.00 0.00 0.00 174.94 175.53 3dv2 s ILE 105 N 1.58 0.61 0.41 2.92 -4.36 0.35 -4.69 121.20 118.01 3dv2 s ILE 105 Ca 0.32 -1.99 -0.24 0.00 -0.26 0.00 0.00 60.65 58.49 3dv2 s ILE 105 Cb -0.16 -2.35 -0.09 0.00 1.25 0.00 0.00 42.46 41.11 3dv2 s ILE 105 CO 0.13 -0.26 1.05 -0.83 0.24 0.00 0.00 174.94 175.26 3dv2 s GLY 106 N -3.23 2.71 0.19 6.27 0.00 -1.26 -1.69 107.32 110.31 3dv2 s GLY 106 Ca 0.30 0.69 -0.12 0.00 0.00 0.00 0.00 44.72 45.60 3dv2 s GLY 106 CO 0.08 1.11 1.74 -1.33 0.00 0.00 0.00 173.10 174.70 3dv2 h GLY 107 N 2.43 0.71 2.00 0.20 0.00 -0.94 -1.40 103.07 106.07 3dv2 h GLY 107 Ca -0.48 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3dv2 h GLY 107 CO 0.62 -0.02 0.00 -0.55 0.00 0.00 0.00 176.54 176.59 3dv2 h ASP 108 N 0.34 0.00 1.24 0.19 3.32 -1.93 0.29 116.42 119.87 3dv2 h ASP 108 Ca 0.26 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3dv2 h ASP 108 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3dv2 h ASP 108 CO -0.29 0.00 -0.22 -0.03 -1.72 0.00 0.00 179.24 176.98 3dv2 h MET 109 N 0.00 0.00 0.00 3.56 4.05 -1.63 -3.11 114.93 117.80 3dv2 h MET 109 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3dv2 h MET 109 Cb 0.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3dv2 h MET 109 CO 0.00 0.22 0.07 0.28 0.23 0.00 0.00 176.91 177.72 3dv2 h VAL 110 N 0.00 0.00 0.00 -5.77 2.07 -0.92 -0.75 116.25 110.88 3dv2 h VAL 110 Ca -0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 3dv2 h VAL 110 Cb 0.90 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3dv2 h VAL 110 CO 0.03 0.00 -0.56 -0.08 0.02 0.00 0.00 177.57 176.98 3dv2 h GLU 111 N 0.00 0.00 -0.02 1.57 4.57 -1.72 -3.27 114.58 115.70 3dv2 h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3dv2 h GLU 111 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3dv2 h GLU 111 CO 0.00 0.46 -0.17 0.66 -1.18 0.00 0.00 179.01 178.77 3dv2 n TYR 112 N -3.19 0.00 -0.31 0.92 4.01 -0.30 -4.50 117.16 113.79 3dv2 n TYR 112 Ca 0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.81 3dv2 n TYR 112 Cb 0.73 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 40.02 3dv2 n TYR 112 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3dv2 h LEU 113 N 3.76 0.88 -2.31 7.72 4.07 -1.57 -0.70 115.31 127.16 3dv2 h LEU 113 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3dv2 h LEU 113 Cb 0.89 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.46 3dv2 h LEU 113 CO 0.00 0.53 0.00 1.55 -1.08 0.00 0.00 178.44 179.44 3dv2 h PRO 114 N 0.98 0.00 -0.66 1.13 0.13 -1.82 -0.17 132.00 131.58 3dv2 h PRO 114 Ca 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.55 3dv2 h PRO 114 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 3dv2 h PRO 114 CO -0.18 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.22 3dv2 n LYS 115 N -2.79 3.77 -3.03 0.86 4.76 -0.27 -4.91 118.16 116.55 3dv2 n LYS 115 Ca -0.02 -2.87 -0.39 0.00 -2.87 0.00 0.00 58.31 52.16 3dv2 n LYS 115 Cb 0.08 -1.91 -0.06 0.00 -1.84 0.00 0.00 35.03 31.30 3dv2 n LYS 115 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3dv2 s TRP 116 N -1.87 3.81 -0.09 2.13 0.52 -0.08 -4.98 118.94 118.39 3dv2 s TRP 116 Ca 0.51 1.51 -0.35 0.00 0.02 0.00 0.00 56.10 57.79 3dv2 s TRP 116 Cb 0.33 -2.75 -0.13 0.00 -1.15 0.00 0.00 33.47 29.78 3dv2 s TRP 116 CO 0.25 0.42 1.82 0.98 0.02 0.00 0.00 176.95 180.44 3dv2 n TYR 117 N 2.17 2.27 -2.33 -1.98 9.36 -1.26 -1.21 117.16 124.18 3dv2 n TYR 117 Ca -0.05 0.10 -0.18 0.00 3.32 0.00 0.00 57.90 61.09 3dv2 n TYR 117 Cb 0.50 -2.62 -0.02 0.00 -0.63 0.00 0.00 39.34 36.57 3dv2 n TYR 117 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3dv2 n ASN 118 N 6.09 -5.19 -0.34 2.98 2.85 -1.26 -4.59 115.26 115.80 3dv2 n ASN 118 Ca 0.22 0.09 0.18 0.00 -0.11 0.00 0.00 54.58 54.97 3dv2 n ASN 118 Cb 0.27 -4.37 0.39 0.00 1.24 0.00 0.00 39.78 37.31 3dv2 n ASN 118 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 3dv2 h ILE 119 N 0.00 0.46 -0.43 -1.44 6.09 -1.47 0.11 117.51 120.84 3dv2 h ILE 119 Ca -0.42 -0.17 0.03 0.00 -1.37 0.00 0.00 64.86 62.93 3dv2 h ILE 119 Cb 1.30 -0.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.50 3dv2 h ILE 119 CO 0.51 0.09 0.23 -0.33 -3.07 0.00 0.00 178.15 175.58 3dv2 h GLU 120 N 0.48 0.45 0.00 2.19 4.39 -1.89 0.86 114.58 121.07 3dv2 h GLU 120 Ca 0.65 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 60.19 3dv2 h GLU 120 Cb 1.31 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 3dv2 h GLU 120 CO -0.52 0.30 -0.63 0.00 -1.16 0.00 0.00 179.01 177.00 3dv2 h ALA 121 N 1.21 0.73 -0.45 3.43 0.00 -1.44 -3.13 119.26 119.61 3dv2 h ALA 121 Ca 0.18 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3dv2 h ALA 121 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3dv2 h ALA 121 CO -0.11 0.79 -0.11 1.25 0.00 0.00 0.00 179.25 181.07 3dv2 h LEU 122 N 0.00 0.88 -1.62 0.00 5.85 -0.39 -2.55 115.31 117.48 3dv2 h LEU 122 Ca -0.01 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.41 3dv2 h LEU 122 Cb 1.31 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3dv2 h LEU 122 CO 0.08 1.04 0.34 -0.07 -0.34 0.00 0.00 178.44 179.49 3dv2 h LEU 123 N 0.71 0.41 -0.07 2.25 3.38 -0.79 0.39 115.31 121.60 3dv2 h LEU 123 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dv2 h LEU 123 Cb 0.66 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3dv2 h LEU 123 CO 0.05 0.27 -0.13 0.47 0.09 0.00 0.00 178.44 179.19 3dv2 n ASP 124 N -4.47 0.23 -0.06 -0.43 9.92 -1.06 -3.42 116.55 117.25 3dv2 n ASP 124 Ca 0.07 -0.05 -0.07 0.00 -0.53 0.00 0.00 54.79 54.20 3dv2 n ASP 124 Cb 0.24 -0.20 -0.15 0.00 -0.64 0.00 0.00 41.12 40.37 3dv2 n ASP 124 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3dv2 n LEU 125 N -1.31 0.32 -4.10 0.64 7.94 0.12 -5.03 117.00 115.58 3dv2 n LEU 125 Ca 0.10 0.15 -0.11 0.00 -1.11 0.00 0.00 56.01 55.04 3dv2 n LEU 125 Cb 0.31 0.34 -0.07 0.00 0.53 0.00 0.00 43.42 44.53 3dv2 n LEU 125 CO 0.27 0.41 0.01 0.68 -1.11 0.00 0.00 177.39 177.65 3dv2 s VAL 126 N -2.62 0.00 -0.29 1.96 -7.23 0.12 -4.74 120.40 107.61 3dv2 s VAL 126 Ca -0.08 -1.67 -0.05 0.00 -1.81 0.00 0.00 61.98 58.37 3dv2 s VAL 126 Cb 0.07 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.64 3dv2 s VAL 126 CO 0.83 0.00 0.05 -0.89 -0.31 0.00 0.00 175.10 174.78 3dv2 s THR 127 N -3.89 3.68 0.30 5.32 2.01 -0.29 -4.61 115.64 118.17 3dv2 s THR 127 Ca 0.30 -0.82 -0.28 0.00 0.31 0.00 0.00 61.69 61.21 3dv2 s THR 127 Cb 0.02 -2.91 -0.09 0.00 0.01 0.00 0.00 72.50 69.53 3dv2 s THR 127 CO 0.13 0.08 0.99 -0.36 -0.69 0.00 0.00 174.62 174.77 3dv2 s PHE 128 N 1.45 3.70 -0.12 4.92 0.40 -1.26 -0.52 117.98 126.55 3dv2 s PHE 128 Ca 0.02 1.79 0.02 0.00 -0.60 0.00 0.00 56.93 58.15 3dv2 s PHE 128 Cb -0.17 -3.05 0.01 0.00 0.51 0.00 0.00 43.02 40.32 3dv2 s PHE 128 CO 0.01 -0.00 -0.16 0.08 0.70 0.00 0.00 175.22 175.85 3dv2 s VAL 129 N -1.39 1.60 -0.11 -0.44 1.01 0.70 -1.72 120.40 120.04 3dv2 s VAL 129 Ca 0.47 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3dv2 s VAL 129 Cb -0.24 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3dv2 s VAL 129 CO 0.31 0.46 -0.03 -0.83 0.00 0.00 0.00 175.10 175.01 3dv2 s GLY 130 N 1.02 1.77 -0.14 4.51 0.00 0.10 -0.50 107.32 114.08 3dv2 s GLY 130 Ca -0.05 -0.83 -0.16 0.00 0.00 0.00 0.00 44.72 43.69 3dv2 s GLY 130 CO -0.03 -0.37 0.37 0.14 0.00 0.00 0.00 173.10 173.21 3dv2 s VAL 131 N -0.33 5.26 0.05 1.40 1.01 -0.68 -0.84 120.40 126.27 3dv2 s VAL 131 Ca 0.06 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.75 3dv2 s VAL 131 Cb -0.12 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3dv2 s VAL 131 CO 0.02 0.37 -0.05 0.00 0.00 0.00 0.00 175.10 175.44 3dv2 s ALA 132 N 0.52 0.49 0.75 5.51 0.00 -0.62 -0.26 121.76 128.15 3dv2 s ALA 132 Ca 0.20 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 51.08 3dv2 s ALA 132 Cb -0.14 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.18 3dv2 s ALA 132 CO 0.06 -0.19 1.22 1.03 0.00 0.00 0.00 175.76 177.88 3dv2 s ARG 133 N -2.55 2.02 0.46 0.00 0.52 -1.26 -1.47 118.95 116.67 3dv2 s ARG 133 Ca -0.04 1.79 -0.24 0.00 -0.52 0.00 0.00 55.73 56.73 3dv2 s ARG 133 Cb -0.03 -1.82 -0.09 0.00 0.52 0.00 0.00 34.95 33.54 3dv2 s ARG 133 CO -0.04 -1.93 1.16 -2.30 0.02 0.00 0.00 175.30 172.21 3dv2 n PRO 134 N -2.82 1.58 -0.74 3.54 -0.02 -1.26 -2.35 135.00 132.93 3dv2 n PRO 134 Ca 0.14 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3dv2 n PRO 134 Cb 0.50 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3dv2 n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dv2 n GLY 135 N 0.99 0.81 3.24 -1.23 0.00 -1.26 -5.04 105.19 102.70 3dv2 n GLY 135 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3dv2 n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dv2 s TYR 136 N -3.12 1.47 0.00 1.61 2.02 -0.99 -5.15 117.35 113.18 3dv2 s TYR 136 Ca 0.00 -0.48 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3dv2 s TYR 136 Cb 0.00 -0.79 -0.00 0.00 -0.40 0.00 0.00 41.96 40.77 3dv2 s TYR 136 CO 0.00 0.14 -0.02 0.21 -1.57 0.00 0.00 175.55 174.32 3dv2 s LYS 137 N -2.18 0.15 0.10 -0.62 2.20 -1.26 -4.76 119.74 113.36 3dv2 s LYS 137 Ca 0.05 -0.10 -0.31 0.00 -0.36 0.00 0.00 55.97 55.25 3dv2 s LYS 137 Cb -0.08 -0.12 -0.07 0.00 -1.51 0.00 0.00 37.83 36.05 3dv2 s LYS 137 CO 0.03 0.03 1.33 -0.51 -0.36 0.00 0.00 175.35 175.87 3dv2 s LEU 138 N -0.15 4.37 -0.47 5.43 2.01 -1.26 -4.98 118.68 123.63 3dv2 s LEU 138 Ca -0.01 2.24 -0.05 0.00 0.01 0.00 0.00 54.13 56.32 3dv2 s LEU 138 Cb -0.01 -3.59 0.12 0.00 0.01 0.00 0.00 46.19 42.73 3dv2 s LEU 138 CO -0.00 -0.59 0.30 -0.60 1.01 0.00 0.00 176.35 176.46 3dv2 s ARG 139 N 1.03 2.26 0.05 1.70 3.00 -1.26 -4.99 118.95 120.73 3dv2 s ARG 139 Ca 0.62 -1.95 -0.04 0.00 -1.00 0.00 0.00 55.73 53.36 3dv2 s ARG 139 Cb -0.35 -3.72 -0.02 0.00 0.00 0.00 0.00 34.95 30.87 3dv2 s ARG 139 CO 0.30 -1.13 0.07 -0.08 0.00 0.00 0.00 175.30 174.46 3dv2 s THR 140 N 0.96 0.15 -0.00 4.11 -1.32 -1.26 -5.04 115.64 113.24 3dv2 s THR 140 Ca 0.09 -1.27 0.26 0.00 -1.21 0.00 0.00 61.69 59.56 3dv2 s THR 140 Cb -0.23 -1.07 0.28 0.00 -1.51 0.00 0.00 72.50 69.97 3dv2 s THR 140 CO -0.03 -0.70 1.79 1.55 -2.21 0.00 0.00 174.62 175.02 3dv2 h PRO 141 N 3.48 0.00 -7.20 7.08 0.13 -1.99 -3.45 132.00 130.05 3dv2 h PRO 141 Ca -0.33 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.32 3dv2 h PRO 141 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 3dv2 h PRO 141 CO 0.54 0.15 0.36 0.71 -0.23 0.00 0.00 178.00 179.54 3dv2 s TYR 142 N -3.51 3.49 -1.46 1.56 4.12 -1.26 -4.96 117.35 115.33 3dv2 s TYR 142 Ca 0.02 1.39 -0.09 0.00 0.02 0.00 0.00 57.07 58.41 3dv2 s TYR 142 Cb 0.09 -2.75 0.03 0.00 -1.52 0.00 0.00 41.96 37.81 3dv2 s TYR 142 CO 0.63 -0.42 2.51 -0.35 0.02 0.00 0.00 175.55 177.94 3dv2 n PRO 143 N -1.81 3.76 -3.48 -1.71 -0.04 -1.26 -4.95 135.00 125.51 3dv2 n PRO 143 Ca 0.06 -2.81 -0.38 0.00 -0.04 0.00 0.00 63.50 60.33 3dv2 n PRO 143 Cb 0.54 -2.87 -0.06 0.00 -0.04 0.00 0.00 33.50 31.07 3dv2 n PRO 143 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3dv2 s ILE 144 N 1.23 5.04 -0.03 0.52 2.07 -1.26 -4.59 121.20 124.18 3dv2 s ILE 144 Ca 0.57 0.85 -0.16 0.00 -1.41 0.00 0.00 60.65 60.50 3dv2 s ILE 144 Cb 0.16 -3.73 -0.05 0.00 0.13 0.00 0.00 42.46 38.97 3dv2 s ILE 144 CO -0.07 0.55 0.45 -0.89 -1.91 0.00 0.00 174.94 173.08 3dv2 s THR 145 N -0.88 5.04 -0.15 4.00 2.01 -0.70 -4.92 115.64 120.04 3dv2 s THR 145 Ca 0.24 0.93 -0.08 0.00 0.31 0.00 0.00 61.69 63.08 3dv2 s THR 145 Cb -0.17 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3dv2 s THR 145 CO 0.13 0.49 0.13 -0.89 -0.69 0.00 0.00 174.62 173.79 3dv2 s THR 146 N -0.51 5.39 -0.15 -0.82 2.01 -1.26 0.02 115.64 120.32 3dv2 s THR 146 Ca 0.25 0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.42 3dv2 s THR 146 Cb -0.17 -3.39 0.03 0.00 0.01 0.00 0.00 72.50 68.98 3dv2 s THR 146 CO 0.13 0.54 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.83 3dv2 s VAL 147 N -0.41 1.22 0.11 3.82 1.01 -0.02 -4.94 120.40 121.20 3dv2 s VAL 147 Ca 0.12 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3dv2 s VAL 147 Cb -0.12 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 3dv2 s VAL 147 CO 0.01 0.28 0.91 -1.61 0.00 0.00 0.00 175.10 174.70 3dv2 s GLU 148 N 1.61 4.67 -0.13 2.72 2.02 -1.26 -1.58 118.70 126.76 3dv2 s GLU 148 Ca 0.03 1.37 -0.08 0.00 0.02 0.00 0.00 54.97 56.30 3dv2 s GLU 148 Cb -0.14 -3.36 0.04 0.00 0.10 0.00 0.00 34.13 30.78 3dv2 s GLU 148 CO -0.09 0.27 0.32 0.42 0.02 0.00 0.00 175.26 176.21 3dv2 s ILE 149 N -0.18 -0.02 0.34 -1.63 1.01 -0.54 -4.90 121.20 115.27 3dv2 s ILE 149 Ca 0.44 0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.89 3dv2 s ILE 149 Cb -0.23 -0.47 -0.12 0.00 0.01 0.00 0.00 42.46 41.65 3dv2 s ILE 149 CO 0.29 0.03 1.37 -0.81 0.00 0.00 0.00 174.94 175.81 3dv2 n PRO 150 N 3.74 2.29 -2.11 2.79 -0.04 -1.26 -4.23 135.00 136.19 3dv2 n PRO 150 Ca -0.20 0.81 -0.41 0.00 -0.04 0.00 0.00 63.50 63.65 3dv2 n PRO 150 Cb 0.55 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 3dv2 n PRO 150 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3dv2 s GLU 151 N -1.76 4.32 -0.34 0.54 2.12 -1.26 -5.00 118.70 117.33 3dv2 s GLU 151 Ca 0.56 2.19 -0.00 0.00 0.36 0.00 0.00 54.97 58.07 3dv2 s GLU 151 Cb -0.55 -3.15 0.13 0.00 0.26 0.00 0.00 34.13 30.83 3dv2 s GLU 151 CO 0.61 -0.34 0.21 0.12 -0.54 0.00 0.00 175.26 175.31 3dv2 s PHE 152 N 0.06 0.59 -0.60 5.30 5.36 -1.26 -5.06 117.98 122.38 3dv2 s PHE 152 Ca 0.58 -1.46 -0.11 0.00 -0.96 0.00 0.00 56.93 54.98 3dv2 s PHE 152 Cb -0.39 -0.88 -0.10 0.00 -0.34 0.00 0.00 43.02 41.31 3dv2 s PHE 152 CO 0.41 -0.84 1.78 0.00 -1.46 0.00 0.00 175.22 175.11 3dv2 n ALA 153 N 4.24 3.23 -3.19 11.12 0.00 -1.26 -4.85 120.51 129.80 3dv2 n ALA 153 Ca 0.09 -1.97 -0.29 0.00 0.00 0.00 0.00 53.44 51.27 3dv2 n ALA 153 Cb 0.38 -3.12 -0.17 0.00 0.00 0.00 0.00 19.45 16.54 3dv2 n ALA 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dv2 s VAL 154 N 4.47 1.71 0.25 0.00 0.11 -1.26 -5.09 120.40 120.59 3dv2 s VAL 154 Ca 0.38 -0.83 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 3dv2 s VAL 154 Cb 0.10 -1.49 -0.05 0.00 -1.53 0.00 0.00 36.38 33.41 3dv2 s VAL 154 CO 0.05 0.48 -0.06 -0.94 -3.33 0.00 0.00 175.10 171.30 3dv2 s SER 155 N 0.33 2.44 0.12 3.54 1.04 -1.26 -4.81 113.70 115.10 3dv2 s SER 155 Ca -0.14 -1.17 -0.16 0.00 0.48 0.00 0.00 55.95 54.96 3dv2 s SER 155 Cb -0.16 -0.11 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 3dv2 s SER 155 CO 0.06 -0.37 1.62 0.28 0.98 0.00 0.00 173.24 175.81 3dv2 h SER 156 N 2.39 0.56 -0.16 7.02 0.02 -1.87 -2.32 113.55 119.19 3dv2 h SER 156 Ca -0.39 -0.23 0.05 0.00 -0.84 0.00 0.00 61.79 60.38 3dv2 h SER 156 Cb 1.23 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.56 3dv2 h SER 156 CO 0.66 0.64 -0.23 -1.28 -1.14 0.00 0.00 176.83 175.48 3dv2 h SER 157 N 0.45 -0.72 -0.62 3.07 0.87 -1.93 0.46 113.55 115.12 3dv2 h SER 157 Ca 0.12 0.12 0.12 0.00 -1.23 0.00 0.00 61.79 60.92 3dv2 h SER 157 Cb 0.30 0.33 -0.09 0.00 -0.44 0.00 0.00 62.40 62.50 3dv2 h SER 157 CO 0.00 -0.28 0.12 0.25 -0.53 0.00 0.00 176.83 176.39 3dv2 h LEU 158 N -0.28 -0.04 -0.38 2.23 6.46 -1.92 -1.18 115.31 120.20 3dv2 h LEU 158 Ca 0.11 0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.95 3dv2 h LEU 158 Cb 0.44 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 3dv2 h LEU 158 CO -0.32 -0.02 0.05 -0.07 -0.62 0.00 0.00 178.44 177.46 3dv2 h LEU 159 N 0.24 0.61 -0.92 2.25 3.38 -0.71 -1.75 115.31 118.41 3dv2 h LEU 159 Ca 0.33 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3dv2 h LEU 159 Cb 0.52 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3dv2 h LEU 159 CO -0.44 0.73 0.60 0.03 0.09 0.00 0.00 178.44 179.45 3dv2 h ARG 160 N 0.48 1.15 0.44 1.13 3.08 -0.33 -0.26 114.38 120.07 3dv2 h ARG 160 Ca 0.11 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3dv2 h ARG 160 Cb 0.38 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3dv2 h ARG 160 CO 0.01 0.76 -0.21 0.93 -1.07 0.00 0.00 179.97 180.39 3dv2 h GLU 161 N 1.19 -0.57 -0.63 0.04 4.39 -1.01 -1.36 114.58 116.62 3dv2 h GLU 161 Ca 0.36 0.04 0.11 0.00 0.34 0.00 0.00 59.36 60.21 3dv2 h GLU 161 Cb -0.03 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.67 3dv2 h GLU 161 CO -0.11 -0.38 0.20 0.00 -1.16 0.00 0.00 179.01 177.56 3dv2 h ARG 162 N -0.60 0.35 -0.52 2.33 3.08 -0.84 1.00 114.38 119.19 3dv2 h ARG 162 Ca -0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3dv2 h ARG 162 Cb 0.46 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3dv2 h ARG 162 CO 0.10 0.23 0.26 1.88 -1.07 0.00 0.00 179.97 181.37 3dv2 h TYR 163 N 0.36 0.70 0.24 3.04 0.05 -0.84 0.50 116.97 121.02 3dv2 h TYR 163 Ca 0.33 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.08 3dv2 h TYR 163 Cb 0.45 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3dv2 h TYR 163 CO -0.20 0.51 -0.12 0.87 -1.05 0.00 0.00 178.16 178.18 3dv2 h LYS 164 N 0.72 -0.31 0.00 4.88 1.57 0.29 -1.69 116.57 122.03 3dv2 h LYS 164 Ca 0.18 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3dv2 h LYS 164 Cb 0.05 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3dv2 h LYS 164 CO -0.03 -0.16 0.00 0.39 -0.57 0.00 0.00 179.45 179.08 3dv2 n GLU 165 N -5.20 0.27 -2.94 3.15 1.02 -0.32 -4.86 120.64 111.75 3dv2 n GLU 165 Ca -0.09 0.10 -0.20 0.00 -0.02 0.00 0.00 57.16 56.95 3dv2 n GLU 165 Cb 0.17 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.12 3dv2 n GLU 165 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dv2 n LYS 166 N -1.29 -4.42 -3.29 3.49 5.02 0.14 -4.99 118.16 112.82 3dv2 n LYS 166 Ca 0.09 0.81 -0.32 0.00 -2.02 0.00 0.00 58.31 56.87 3dv2 n LYS 166 Cb 0.16 -5.45 -0.06 0.00 -0.02 0.00 0.00 35.03 29.67 3dv2 n LYS 166 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3dv2 s LYS 167 N -5.58 3.88 0.65 1.97 2.20 0.77 -4.99 119.74 118.64 3dv2 s LYS 167 Ca 0.28 0.43 -0.18 0.00 -0.36 0.00 0.00 55.97 56.14 3dv2 s LYS 167 Cb -0.12 -2.55 -0.02 0.00 -1.51 0.00 0.00 37.83 33.63 3dv2 s LYS 167 CO 0.34 0.24 1.23 -2.37 -0.36 0.00 0.00 175.35 174.43 3dv2 n THR 168 N -0.28 4.72 -0.84 3.43 5.66 -1.26 -4.43 114.28 121.27 3dv2 n THR 168 Ca 0.02 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 3dv2 n THR 168 Cb 0.53 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 3dv2 n THR 168 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dv2 n LYS 170 N -0.17 1.70 -0.80 0.00 4.81 -1.26 -1.54 118.16 120.90 3dv2 n LYS 170 Ca 0.01 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 3dv2 n LYS 170 Cb 0.46 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.41 3dv2 n LYS 170 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3dv2 n TYR 171 N 0.12 0.00 0.03 5.64 4.02 -1.26 -4.81 117.16 120.90 3dv2 n TYR 171 Ca 0.07 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.02 3dv2 n TYR 171 Cb 0.35 -0.83 -0.09 0.00 -0.02 0.00 0.00 39.34 38.75 3dv2 n TYR 171 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3dv2 n LEU 172 N 0.00 0.51 -3.59 7.72 4.77 -0.59 -4.94 117.00 120.89 3dv2 n LEU 172 Ca 0.00 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 56.03 3dv2 n LEU 172 Cb 0.06 0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3dv2 n LEU 172 CO 0.00 0.03 0.30 -1.48 -1.33 0.00 0.00 177.39 174.92 3dv2 s LEU 173 N -5.25 -0.16 0.17 2.23 2.34 -1.26 -2.63 118.68 114.13 3dv2 s LEU 173 Ca -0.04 0.43 -0.28 0.00 0.06 0.00 0.00 54.13 54.30 3dv2 s LEU 173 Cb 0.10 2.14 -0.17 0.00 -0.56 0.00 0.00 46.19 47.71 3dv2 s LEU 173 CO 0.84 -0.60 0.56 -2.65 -1.06 0.00 0.00 176.35 173.43 3dv2 n PRO 174 N 0.86 0.00 -0.27 1.48 -0.02 -1.26 -4.71 135.00 131.08 3dv2 n PRO 174 Ca -0.19 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.26 3dv2 n PRO 174 Cb 0.58 -1.01 0.09 0.00 -0.02 0.00 0.00 33.50 33.13 3dv2 n PRO 174 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3dv2 h GLU 175 N 1.18 0.89 -0.54 -0.52 5.08 -1.99 -0.99 114.58 117.69 3dv2 h GLU 175 Ca -0.29 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 3dv2 h GLU 175 Cb 1.38 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3dv2 h GLU 175 CO 0.55 0.59 0.36 0.87 -1.00 0.00 0.00 179.01 180.38 3dv2 h LYS 176 N 0.91 0.65 -0.23 2.33 1.57 -1.93 0.16 116.57 120.04 3dv2 h LYS 176 Ca 0.30 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.85 3dv2 h LYS 176 Cb 0.03 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3dv2 h LYS 176 CO -0.12 0.43 -0.63 0.28 -0.57 0.00 0.00 179.45 178.84 3dv2 h VAL 177 N 0.67 1.28 -0.79 0.50 2.07 -1.59 -2.15 116.25 116.23 3dv2 h VAL 177 Ca 0.21 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 3dv2 h VAL 177 Cb 0.00 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3dv2 h VAL 177 CO -0.05 0.59 0.40 1.56 0.02 0.00 0.00 177.57 180.09 3dv2 h GLN 178 N 0.60 1.13 -0.94 1.57 4.20 -0.31 -1.56 115.11 119.80 3dv2 h GLN 178 Ca -0.01 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.57 3dv2 h GLN 178 Cb 1.25 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 28.77 3dv2 h GLN 178 CO 0.14 0.86 0.61 0.28 -0.67 0.00 0.00 178.83 180.05 3dv2 h VAL 179 N 1.11 1.17 -0.34 -0.54 2.07 -0.56 -1.72 116.25 117.45 3dv2 h VAL 179 Ca 0.27 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 3dv2 h VAL 179 Cb 0.09 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 3dv2 h VAL 179 CO -0.04 0.22 -0.29 0.22 0.02 0.00 0.00 177.57 177.70 3dv2 h TYR 180 N 1.20 0.82 -0.04 1.57 3.20 -0.83 -0.38 116.97 122.50 3dv2 h TYR 180 Ca 0.37 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3dv2 h TYR 180 Cb -0.02 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 3dv2 h TYR 180 CO -0.01 0.92 0.01 0.82 -1.64 0.00 0.00 178.16 178.26 3dv2 h ILE 181 N 0.61 1.18 -0.54 1.81 2.04 -0.77 -1.46 117.51 120.39 3dv2 h ILE 181 Ca 0.07 -0.55 -0.11 0.00 1.00 0.00 0.00 64.86 65.27 3dv2 h ILE 181 Cb 0.80 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 3dv2 h ILE 181 CO 0.07 0.15 -0.11 -0.33 0.00 0.00 0.00 178.15 177.92 3dv2 h GLU 182 N -0.16 1.02 -0.57 2.37 5.08 -1.29 0.89 114.58 121.92 3dv2 h GLU 182 Ca 0.01 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 3dv2 h GLU 182 Cb 0.23 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3dv2 h GLU 182 CO 0.00 1.07 0.11 -0.09 -1.00 0.00 0.00 179.01 179.09 3dv2 h ARG 183 N 0.91 0.91 -0.43 2.33 2.43 -1.01 -3.09 114.38 116.42 3dv2 h ARG 183 Ca 0.14 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3dv2 h ARG 183 Cb 0.68 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3dv2 h ARG 183 CO 0.05 0.83 0.00 0.09 -1.51 0.00 0.00 179.97 179.43 3dv2 n ASN 184 N -4.25 3.40 -3.54 -3.80 4.13 -0.55 -5.00 115.26 105.65 3dv2 n ASN 184 Ca 0.04 -1.96 -0.22 0.00 1.68 0.00 0.00 54.58 54.12 3dv2 n ASN 184 Cb 0.26 -0.28 0.05 0.00 -1.54 0.00 0.00 39.78 38.27 3dv2 n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dv2 n GLY 185 N 1.34 -0.78 3.89 7.41 0.00 0.17 -4.99 105.19 112.22 3dv2 n GLY 185 Ca 0.18 0.37 -0.30 0.00 0.00 0.00 0.00 46.02 46.28 3dv2 n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dv2 s LEU 186 N -6.19 4.06 -0.32 0.99 1.43 -0.38 -4.22 118.68 114.05 3dv2 s LEU 186 Ca 0.29 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 3dv2 s LEU 186 Cb -0.07 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.52 3dv2 s LEU 186 CO 0.80 -0.19 0.00 -1.22 0.23 0.00 0.00 176.35 175.97 3dv2 n TYR 187 N -0.77 -0.02 1.43 0.29 4.01 -1.26 -4.88 117.16 115.96 3dv2 n TYR 187 Ca -0.01 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.87 3dv2 n TYR 187 Cb 0.53 -2.02 0.47 0.00 -0.31 0.00 0.00 39.34 38.02 3dv2 n TYR 187 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79