#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh1 s LEU 14 N 0.00 3.67 -0.09 1.20 1.43 -1.26 -5.05 118.68 118.58 3dh1 s LEU 14 Ca 0.00 1.58 -0.10 0.00 -1.03 0.00 0.00 54.13 54.58 3dh1 s LEU 14 Cb 0.00 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 3dh1 s LEU 14 CO 0.00 -0.55 0.24 -0.47 0.23 0.00 0.00 176.35 175.80 3dh1 s TYR 15 N -2.56 3.62 -0.11 0.29 5.04 -1.26 -5.08 117.35 117.28 3dh1 s TYR 15 Ca 0.59 0.68 -0.02 0.00 -2.44 0.00 0.00 57.07 55.88 3dh1 s TYR 15 Cb -0.10 -2.11 -0.03 0.00 0.35 0.00 0.00 41.96 40.07 3dh1 s TYR 15 CO 0.29 0.63 -0.04 -0.06 -1.34 0.00 0.00 175.55 175.03 3dh1 s PHE 16 N -0.80 3.02 0.12 4.97 0.40 -1.26 -4.38 117.98 120.06 3dh1 s PHE 16 Ca 0.18 -0.09 -0.30 0.00 -0.60 0.00 0.00 56.93 56.11 3dh1 s PHE 16 Cb -0.14 -1.84 -0.07 0.00 0.51 0.00 0.00 43.02 41.49 3dh1 s PHE 16 CO 0.07 0.19 1.23 -0.65 0.70 0.00 0.00 175.22 176.76 3dh1 s GLN 17 N -0.30 4.44 1.06 0.44 -1.52 -1.26 -5.02 119.66 117.50 3dh1 s GLN 17 Ca 0.05 1.87 -0.17 0.00 -1.95 0.00 0.00 55.36 55.16 3dh1 s GLN 17 Cb -0.13 -3.28 0.23 0.00 -0.22 0.00 0.00 33.01 29.61 3dh1 s GLN 17 CO 0.02 -0.22 1.20 -1.54 -0.25 0.00 0.00 175.29 174.51 3dh1 s SER 18 N 0.66 2.23 0.23 5.90 1.04 -1.26 -4.85 113.70 117.66 3dh1 s SER 18 Ca 0.57 0.53 -0.07 0.00 0.48 0.00 0.00 55.95 57.46 3dh1 s SER 18 Cb -0.32 -0.74 0.20 0.00 0.10 0.00 0.00 66.02 65.26 3dh1 s SER 18 CO 0.33 -3.30 1.86 -0.03 0.98 0.00 0.00 173.24 173.07 3dh1 h MET 19 N -2.02 1.24 -0.53 4.02 4.05 -2.00 -2.59 114.93 117.09 3dh1 h MET 19 Ca -0.46 -0.14 -0.12 0.00 -0.28 0.00 0.00 59.70 58.71 3dh1 h MET 19 Cb 1.27 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 31.81 3dh1 h MET 19 CO 0.40 0.90 -0.12 0.93 0.23 0.00 0.00 176.91 179.24 3dh1 h GLU 20 N 1.24 1.02 -0.26 0.39 5.08 -1.99 -2.25 114.58 117.81 3dh1 h GLU 20 Ca 0.31 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3dh1 h GLU 20 Cb 0.01 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3dh1 h GLU 20 CO -0.05 1.08 -0.06 0.93 -1.00 0.00 0.00 179.01 179.91 3dh1 h GLU 21 N 0.90 0.41 0.06 2.33 5.08 -1.90 -1.43 114.58 120.03 3dh1 h GLU 21 Ca 0.14 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3dh1 h GLU 21 Cb 0.70 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3dh1 h GLU 21 CO 0.05 0.48 -0.03 1.15 -1.00 0.00 0.00 179.01 179.66 3dh1 h THR 22 N 0.39 1.13 -0.98 1.13 2.02 -1.19 -0.58 112.91 114.83 3dh1 h THR 22 Ca 0.08 -0.67 0.13 0.00 0.77 0.00 0.00 66.41 66.72 3dh1 h THR 22 Cb 0.35 1.57 -0.08 0.00 -1.74 0.00 0.00 68.15 68.25 3dh1 h THR 22 CO 0.02 0.17 0.62 -0.33 0.37 0.00 0.00 175.52 176.36 3dh1 h GLU 23 N -0.38 0.89 -0.37 6.66 5.08 -1.27 -0.75 114.58 124.43 3dh1 h GLU 23 Ca -0.01 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3dh1 h GLU 23 Cb 0.34 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3dh1 h GLU 23 CO 0.01 0.59 0.05 -0.22 -1.00 0.00 0.00 179.01 178.44 3dh1 h LYS 24 N 0.91 0.62 -0.41 2.33 3.11 -0.84 -1.63 116.57 120.66 3dh1 h LYS 24 Ca 0.50 -0.17 -0.11 0.00 -2.81 0.00 0.00 60.65 58.05 3dh1 h LYS 24 Cb 0.58 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 3dh1 h LYS 24 CO -0.27 0.69 -0.19 -1.49 -2.81 0.00 0.00 179.45 175.38 3dh1 h TRP 25 N 0.45 0.91 0.00 1.91 -0.00 -0.40 -2.57 115.95 116.26 3dh1 h TRP 25 Ca 0.11 -0.20 -0.06 0.00 -0.00 0.00 0.00 58.89 58.74 3dh1 h TRP 25 Cb 0.38 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.31 3dh1 h TRP 25 CO 0.03 0.93 -0.28 0.52 -0.00 0.00 0.00 178.44 179.64 3dh1 h MET 26 N 0.71 0.00 -0.38 0.49 2.86 -1.13 -1.14 114.93 116.34 3dh1 h MET 26 Ca 0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3dh1 h MET 26 Cb 0.71 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 3dh1 h MET 26 CO 0.05 0.28 0.18 0.93 1.06 0.00 0.00 176.91 179.42 3dh1 h GLU 27 N 0.00 0.54 -0.12 1.72 5.08 -0.91 -2.21 114.58 118.68 3dh1 h GLU 27 Ca -0.00 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3dh1 h GLU 27 Cb 0.58 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3dh1 h GLU 27 CO 0.04 0.49 -0.43 1.49 -1.00 0.00 0.00 179.01 179.59 3dh1 h GLU 28 N 0.47 0.28 -0.10 2.33 4.81 -1.08 -2.07 114.58 119.22 3dh1 h GLU 28 Ca 0.13 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3dh1 h GLU 28 Cb 0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3dh1 h GLU 28 CO -0.02 0.67 -0.37 0.00 -0.73 0.00 0.00 179.01 178.56 3dh1 h ALA 29 N 1.32 1.19 -0.34 2.92 0.00 -1.18 -2.16 119.26 121.01 3dh1 h ALA 29 Ca 0.02 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 3dh1 h ALA 29 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3dh1 h ALA 29 CO 0.07 0.55 -0.33 0.52 0.00 0.00 0.00 179.25 180.06 3dh1 h MET 30 N 0.18 0.82 -0.95 0.00 2.86 -0.89 -0.24 114.93 116.70 3dh1 h MET 30 Ca 0.02 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.24 3dh1 h MET 30 Cb 0.75 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.37 3dh1 h MET 30 CO 0.06 1.07 0.63 0.45 1.06 0.00 0.00 176.91 180.17 3dh1 h HIS 31 N 0.60 1.19 -0.45 -0.22 -0.00 -1.23 -1.11 115.15 113.93 3dh1 h HIS 31 Ca 0.05 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.35 3dh1 h HIS 31 Cb 0.91 -0.40 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 3dh1 h HIS 31 CO 0.07 0.74 -0.12 0.52 -0.00 0.00 0.00 177.93 179.14 3dh1 h MET 32 N 1.28 0.84 -0.17 2.45 2.86 -1.11 -1.61 114.93 119.47 3dh1 h MET 32 Ca 0.35 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3dh1 h MET 32 Cb -0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3dh1 h MET 32 CO -0.08 0.92 -0.13 0.00 1.06 0.00 0.00 176.91 178.68 3dh1 h ALA 33 N 1.10 1.46 -0.39 6.32 0.00 -0.69 -0.50 119.26 126.57 3dh1 h ALA 33 Ca 0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3dh1 h ALA 33 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3dh1 h ALA 33 CO 0.04 0.38 0.08 0.87 0.00 0.00 0.00 179.25 180.63 3dh1 h LYS 34 N 0.26 0.63 -0.96 0.00 1.57 -0.57 -2.62 116.57 114.89 3dh1 h LYS 34 Ca 0.05 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3dh1 h LYS 34 Cb 0.40 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 3dh1 h LYS 34 CO 0.02 0.67 0.63 0.93 -0.57 0.00 0.00 179.45 181.13 3dh1 h GLU 35 N 0.48 1.10 -0.46 3.15 5.08 -0.41 -2.49 114.58 121.04 3dh1 h GLU 35 Ca 0.12 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3dh1 h GLU 35 Cb 0.33 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3dh1 h GLU 35 CO 0.00 0.73 0.19 0.00 -1.00 0.00 0.00 179.01 178.93 3dh1 h ALA 36 N 1.47 0.59 -0.63 3.43 0.00 -1.07 -2.57 119.26 120.49 3dh1 h ALA 36 Ca 0.41 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.29 3dh1 h ALA 36 Cb 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 3dh1 h ALA 36 CO -0.15 0.19 0.21 1.25 0.00 0.00 0.00 179.25 180.75 3dh1 h LEU 37 N 0.60 0.16 0.00 0.00 5.85 -1.06 0.10 115.31 120.96 3dh1 h LEU 37 Ca 0.15 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3dh1 h LEU 37 Cb 0.18 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3dh1 h LEU 37 CO -0.01 0.09 -0.05 -0.62 -0.34 0.00 0.00 178.44 177.50 3dh1 n GLU 38 N -5.04 0.11 -0.69 1.25 1.02 -1.04 -2.12 120.64 114.13 3dh1 n GLU 38 Ca 0.10 0.08 0.02 0.00 -0.02 0.00 0.00 57.16 57.34 3dh1 n GLU 38 Cb 0.31 -1.62 0.28 0.00 -0.02 0.00 0.00 31.44 30.39 3dh1 n GLU 38 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dh1 n ASN 39 N -1.81 4.38 -2.10 1.62 3.02 -0.72 -4.93 115.26 114.73 3dh1 n ASN 39 Ca 0.06 -2.75 -0.18 0.00 -0.03 0.00 0.00 54.58 51.69 3dh1 n ASN 39 Cb 0.38 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 3dh1 n ASN 39 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3dh1 n THR 40 N 0.32 -0.55 -3.57 3.41 -1.04 -0.90 -4.92 114.28 107.03 3dh1 n THR 40 Ca 0.23 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 62.05 3dh1 n THR 40 Cb 1.00 -2.24 -0.01 0.00 -1.82 0.00 0.00 70.33 67.25 3dh1 n THR 40 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3dh1 s GLU 41 N -4.50 3.07 0.08 -2.82 0.41 -0.06 -4.86 118.70 110.03 3dh1 s GLU 41 Ca 0.00 -1.04 -0.31 0.00 -0.41 0.00 0.00 54.97 53.21 3dh1 s GLU 41 Cb 0.00 -2.77 -0.09 0.00 -1.78 0.00 0.00 34.13 29.50 3dh1 s GLU 41 CO 0.00 0.10 1.66 0.08 -0.49 0.00 0.00 175.26 176.61 3dh1 s VAL 42 N -2.18 2.95 -1.12 2.63 1.01 -1.26 -3.85 120.40 118.58 3dh1 s VAL 42 Ca 0.43 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.61 3dh1 s VAL 42 Cb -0.09 -3.28 -0.16 0.00 0.00 0.00 0.00 36.38 32.84 3dh1 s VAL 42 CO 0.30 0.00 2.01 -0.81 0.00 0.00 0.00 175.10 176.61 3dh1 n PRO 43 N 5.45 0.89 -3.96 2.72 -0.04 -1.26 -4.49 135.00 134.29 3dh1 n PRO 43 Ca 0.16 -2.09 -0.24 0.00 -0.04 0.00 0.00 63.50 61.29 3dh1 n PRO 43 Cb 0.40 -3.80 -0.17 0.00 -0.04 0.00 0.00 33.50 29.89 3dh1 n PRO 43 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dh1 s VAL 44 N 13.84 0.69 0.14 0.52 1.01 -1.26 -4.83 120.40 130.50 3dh1 s VAL 44 Ca 0.74 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.69 3dh1 s VAL 44 Cb -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 3dh1 s VAL 44 CO 0.16 0.30 -0.19 -0.83 0.00 0.00 0.00 175.10 174.54 3dh1 s GLY 45 N 1.56 1.31 0.13 4.51 0.00 -1.26 -3.13 107.32 110.45 3dh1 s GLY 45 Ca 0.00 -1.38 -0.18 0.00 0.00 0.00 0.00 44.72 43.16 3dh1 s GLY 45 CO -0.04 -1.42 0.44 0.00 0.00 0.00 0.00 173.10 172.08 3dh1 s LEU 47 N -2.77 2.19 -0.18 0.00 1.43 -0.66 -1.20 118.68 117.49 3dh1 s LEU 47 Ca 0.02 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3dh1 s LEU 47 Cb 0.01 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.92 3dh1 s LEU 47 CO -0.12 -0.08 -0.16 -0.04 0.23 0.00 0.00 176.35 176.18 3dh1 s MET 48 N -1.24 2.57 -0.14 1.70 -1.94 0.65 -0.98 119.30 119.92 3dh1 s MET 48 Ca -0.04 -0.80 -0.03 0.00 -1.71 0.00 0.00 55.69 53.12 3dh1 s MET 48 Cb -0.08 -2.43 -0.03 0.00 2.01 0.00 0.00 34.83 34.30 3dh1 s MET 48 CO 0.01 -0.28 -0.05 0.08 -0.01 0.00 0.00 175.02 174.77 3dh1 s VAL 49 N 1.35 3.81 -0.06 -6.03 1.01 -0.26 -0.43 120.40 119.79 3dh1 s VAL 49 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3dh1 s VAL 49 Cb -0.14 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.62 3dh1 s VAL 49 CO -0.11 0.52 -0.05 -0.47 0.00 0.00 0.00 175.10 174.99 3dh1 s TYR 50 N 0.14 0.90 -1.49 5.22 5.04 -0.36 -1.24 117.35 125.55 3dh1 s TYR 50 Ca -0.02 -0.29 -0.04 0.00 -2.44 0.00 0.00 57.07 54.28 3dh1 s TYR 50 Cb -0.14 -0.79 0.03 0.00 0.35 0.00 0.00 41.96 41.41 3dh1 s TYR 50 CO 0.03 -0.25 0.41 -1.71 -1.34 0.00 0.00 175.55 172.68 3dh1 n ASN 51 N 4.27 -0.60 -2.00 4.32 5.15 -1.26 -1.68 115.26 123.46 3dh1 n ASN 51 Ca -0.21 -1.06 -0.18 0.00 -0.60 0.00 0.00 54.58 52.53 3dh1 n ASN 51 Cb 0.51 -2.72 -0.02 0.00 -0.53 0.00 0.00 39.78 37.02 3dh1 n ASN 51 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3dh1 n ASN 52 N -2.91 -5.28 -3.94 1.20 5.15 -1.26 -4.86 115.26 103.36 3dh1 n ASN 52 Ca -0.24 0.04 -0.15 0.00 -0.60 0.00 0.00 54.58 53.62 3dh1 n ASN 52 Cb 0.65 -4.35 -0.14 0.00 -0.53 0.00 0.00 39.78 35.41 3dh1 n ASN 52 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3dh1 s GLU 53 N -4.75 0.34 -0.31 1.20 2.12 -0.68 -5.11 118.70 111.51 3dh1 s GLU 53 Ca 0.00 -0.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.89 3dh1 s GLU 53 Cb 0.00 -0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.07 3dh1 s GLU 53 CO 0.00 0.09 1.12 0.08 -0.54 0.00 0.00 175.26 176.01 3dh1 s VAL 54 N -0.09 4.43 -0.79 3.70 1.01 -1.26 -1.23 120.40 126.17 3dh1 s VAL 54 Ca 0.01 1.65 0.12 0.00 0.00 0.00 0.00 61.98 63.76 3dh1 s VAL 54 Cb -0.02 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.93 3dh1 s VAL 54 CO -0.00 -0.47 0.59 0.55 0.00 0.00 0.00 175.10 175.76 3dh1 n VAL 55 N 5.92 0.00 -3.64 2.92 3.14 0.43 -4.98 118.33 122.11 3dh1 n VAL 55 Ca 0.13 -0.29 -0.05 0.00 -2.96 0.00 0.00 64.34 61.17 3dh1 n VAL 55 Cb 0.47 1.06 -0.07 0.00 -1.06 0.00 0.00 33.84 34.24 3dh1 n VAL 55 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3dh1 s GLY 56 N -1.86 0.15 0.40 7.55 0.00 -1.18 -3.03 107.32 109.35 3dh1 s GLY 56 Ca 0.07 3.19 0.06 0.00 0.00 0.00 0.00 44.72 48.05 3dh1 s GLY 56 CO 0.40 2.08 0.02 0.54 0.00 0.00 0.00 173.10 176.14 3dh1 s LYS 57 N 0.40 1.93 -0.30 2.90 1.02 -1.26 -0.25 119.74 124.18 3dh1 s LYS 57 Ca 0.02 -2.10 -0.19 0.00 0.02 0.00 0.00 55.97 53.72 3dh1 s LYS 57 Cb -0.05 -1.54 0.20 0.00 -0.52 0.00 0.00 37.83 35.92 3dh1 s LYS 57 CO -0.11 -0.08 1.29 0.20 -0.92 0.00 0.00 175.35 175.73 3dh1 s GLY 58 N -3.69 0.47 0.40 -3.33 0.00 -0.34 -3.43 107.32 97.40 3dh1 s GLY 58 Ca 0.34 3.65 0.08 0.00 0.00 0.00 0.00 44.72 48.78 3dh1 s GLY 58 CO 0.17 2.44 0.21 0.50 0.00 0.00 0.00 173.10 176.43 3dh1 s ARG 59 N 0.69 2.30 0.17 2.90 0.52 -1.26 -0.98 118.95 123.29 3dh1 s ARG 59 Ca -0.02 -1.74 -0.31 0.00 -0.52 0.00 0.00 55.73 53.14 3dh1 s ARG 59 Cb -0.03 -2.09 -0.09 0.00 0.52 0.00 0.00 34.95 33.26 3dh1 s ARG 59 CO -0.12 -0.10 1.41 -0.80 0.02 0.00 0.00 175.30 175.72 3dh1 s ASN 60 N -3.94 6.76 -0.11 0.23 -0.87 -1.18 -3.97 114.94 111.85 3dh1 s ASN 60 Ca 0.42 2.46 0.15 0.00 -1.57 0.00 0.00 52.86 54.31 3dh1 s ASN 60 Cb 0.02 -2.60 0.27 0.00 -0.02 0.00 0.00 41.25 38.92 3dh1 s ASN 60 CO 0.24 -0.67 1.14 -0.62 -2.57 0.00 0.00 177.10 174.62 3dh1 n GLU 61 N 3.37 1.03 -0.13 -0.60 1.02 -0.76 -4.82 120.64 119.75 3dh1 n GLU 61 Ca 0.10 -2.40 -0.04 0.00 -0.02 0.00 0.00 57.16 54.80 3dh1 n GLU 61 Cb 0.41 -1.26 0.04 0.00 -0.02 0.00 0.00 31.44 30.61 3dh1 n GLU 61 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dh1 h VAL 62 N 1.84 0.73 -0.18 2.62 2.07 -1.75 0.66 116.25 122.24 3dh1 h VAL 62 Ca -0.01 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 3dh1 h VAL 62 Cb 1.12 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3dh1 h VAL 62 CO 0.01 0.03 -0.49 0.78 0.02 0.00 0.00 177.57 177.92 3dh1 h ASN 63 N 0.17 0.74 0.83 0.57 4.21 -1.88 -0.08 115.58 120.13 3dh1 h ASN 63 Ca 0.21 -0.58 -0.04 0.00 1.21 0.00 0.00 56.30 57.10 3dh1 h ASN 63 Cb 0.28 -0.22 0.01 0.00 -1.12 0.00 0.00 38.32 37.27 3dh1 h ASN 63 CO -0.31 1.19 -0.41 1.56 -1.29 0.00 0.00 177.43 178.18 3dh1 h GLN 64 N 0.33 -1.08 0.00 0.81 4.20 -1.82 -3.16 115.11 114.40 3dh1 h GLN 64 Ca -0.01 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3dh1 h GLN 64 Cb 1.10 0.25 0.00 0.00 0.30 0.00 0.00 27.48 29.13 3dh1 h GLN 64 CO 0.11 -0.72 0.00 0.00 -0.67 0.00 0.00 178.83 177.55 3dh1 h THR 65 N -1.12 0.00 -6.14 -0.54 1.03 0.22 -3.47 112.91 102.90 3dh1 h THR 65 Ca -0.11 -0.63 -0.45 0.00 -0.01 0.00 0.00 66.41 65.21 3dh1 h THR 65 Cb 0.86 1.60 0.02 0.00 -1.07 0.00 0.00 68.15 69.57 3dh1 h THR 65 CO 0.18 0.00 -0.73 0.29 -0.01 0.00 0.00 175.52 175.25 3dh1 n LYS 66 N -2.97 -6.39 -3.80 0.00 5.02 -0.07 -5.02 118.16 104.93 3dh1 n LYS 66 Ca 0.02 0.68 -0.28 0.00 -2.02 0.00 0.00 58.31 56.71 3dh1 n LYS 66 Cb 0.37 -5.63 -0.16 0.00 -0.02 0.00 0.00 35.03 29.59 3dh1 n LYS 66 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3dh1 s ASN 67 N -3.30 3.15 0.58 4.39 3.84 -1.07 -5.02 114.94 117.52 3dh1 s ASN 67 Ca 0.64 -0.90 0.28 0.00 0.21 0.00 0.00 52.86 53.09 3dh1 s ASN 67 Cb -0.31 -0.78 1.75 0.00 -0.55 0.00 0.00 41.25 41.36 3dh1 s ASN 67 CO 0.79 -0.28 2.23 0.00 -2.79 0.00 0.00 177.10 177.05 3dh1 h ALA 68 N 8.15 1.61 -0.00 1.71 0.00 -1.95 -2.39 119.26 126.39 3dh1 h ALA 68 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dh1 h ALA 68 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dh1 h ALA 68 CO 0.36 -0.04 -0.01 0.25 0.00 0.00 0.00 179.25 179.81 3dh1 n THR 69 N -3.91 0.00 -2.06 0.00 -2.24 -1.26 -4.63 114.28 100.18 3dh1 n THR 69 Ca -0.02 -0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 3dh1 n THR 69 Cb 0.12 -0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3dh1 n THR 69 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dh1 n ARG 70 N -1.37 3.93 -2.28 -0.78 1.74 -0.90 -4.78 116.66 112.22 3dh1 n ARG 70 Ca 0.11 -3.31 -0.32 0.00 -0.77 0.00 0.00 57.85 53.56 3dh1 n ARG 70 Cb 0.28 -2.83 -0.02 0.00 -1.02 0.00 0.00 32.46 28.87 3dh1 n ARG 70 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3dh1 s HIS 71 N 0.19 3.30 0.30 -1.55 3.76 -1.26 -1.83 115.29 118.20 3dh1 s HIS 71 Ca 0.48 1.48 0.03 0.00 -0.15 0.00 0.00 55.06 56.90 3dh1 s HIS 71 Cb 0.14 -2.86 0.78 0.00 1.11 0.00 0.00 32.58 31.74 3dh1 s HIS 71 CO -0.05 -0.62 1.60 0.00 -0.85 0.00 0.00 174.74 174.83 3dh1 h ALA 72 N 0.75 1.27 -0.41 -1.40 0.00 -1.84 0.28 119.26 117.91 3dh1 h ALA 72 Ca -0.47 0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3dh1 h ALA 72 Cb 1.20 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 3dh1 h ALA 72 CO 0.60 -0.57 0.23 0.93 0.00 0.00 0.00 179.25 180.44 3dh1 h GLU 73 N 0.07 0.44 -0.28 0.00 3.07 -1.89 -1.30 114.58 114.69 3dh1 h GLU 73 Ca 0.60 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 59.31 3dh1 h GLU 73 Cb 1.26 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 3dh1 h GLU 73 CO -0.81 0.29 -0.31 0.52 -1.40 0.00 0.00 179.01 177.30 3dh1 h MET 74 N 0.46 0.58 -0.80 2.33 2.86 -0.78 -0.91 114.93 118.67 3dh1 h MET 74 Ca 0.17 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3dh1 h MET 74 Cb 0.04 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 3dh1 h MET 74 CO -0.09 0.82 0.43 0.28 1.06 0.00 0.00 176.91 179.41 3dh1 h VAL 75 N 0.50 1.24 -0.37 -2.22 2.07 -0.99 -2.94 116.25 113.54 3dh1 h VAL 75 Ca 0.06 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 3dh1 h VAL 75 Cb 0.78 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3dh1 h VAL 75 CO 0.06 0.27 -0.10 0.00 0.02 0.00 0.00 177.57 177.82 3dh1 h ALA 76 N 1.22 0.51 -0.19 1.67 0.00 -0.55 -2.97 119.26 118.96 3dh1 h ALA 76 Ca 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dh1 h ALA 76 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dh1 h ALA 76 CO -0.04 0.38 0.08 0.82 0.00 0.00 0.00 179.25 180.49 3dh1 h ILE 77 N 0.52 1.07 -0.16 0.00 2.04 -1.15 -1.43 117.51 118.41 3dh1 h ILE 77 Ca 0.09 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.57 3dh1 h ILE 77 Cb 0.62 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3dh1 h ILE 77 CO 0.04 0.08 -0.59 0.44 0.00 0.00 0.00 178.15 178.13 3dh1 h ASP 78 N 0.26 0.59 -0.11 1.72 3.32 -1.36 -2.44 116.42 118.39 3dh1 h ASP 78 Ca 0.07 -0.33 -0.15 0.00 0.02 0.00 0.00 57.03 56.64 3dh1 h ASP 78 Cb 0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3dh1 h ASP 78 CO -0.01 1.04 -0.44 1.56 -1.72 0.00 0.00 179.24 179.68 3dh1 h GLN 79 N 0.39 0.65 -0.34 3.56 4.20 -1.21 -1.28 115.11 121.09 3dh1 h GLN 79 Ca -0.00 -0.35 -0.04 0.00 0.06 0.00 0.00 58.65 58.32 3dh1 h GLN 79 Cb 1.14 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3dh1 h GLN 79 CO 0.11 0.96 0.07 0.28 -0.67 0.00 0.00 178.83 179.57 3dh1 h VAL 80 N 0.53 1.23 -0.95 -0.54 2.07 -1.21 0.67 116.25 118.04 3dh1 h VAL 80 Ca 0.04 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.83 3dh1 h VAL 80 Cb 0.97 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 3dh1 h VAL 80 CO 0.09 0.27 0.62 -0.07 0.02 0.00 0.00 177.57 178.49 3dh1 h LEU 81 N 0.40 0.95 -0.99 2.57 3.38 -1.36 -0.58 115.31 119.69 3dh1 h LEU 81 Ca 0.10 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3dh1 h LEU 81 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3dh1 h LEU 81 CO 0.00 0.60 -0.29 -0.78 0.09 0.00 0.00 178.44 178.07 3dh1 h ASP 82 N 1.07 0.38 -0.54 -0.43 3.58 -0.71 -2.03 116.42 117.74 3dh1 h ASP 82 Ca 0.42 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.63 3dh1 h ASP 82 Cb 0.23 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 3dh1 h ASP 82 CO -0.17 0.66 -0.07 -0.25 -2.88 0.00 0.00 179.24 176.54 3dh1 h TRP 83 N 0.34 1.12 -0.67 0.28 7.01 -0.08 -3.09 115.95 120.85 3dh1 h TRP 83 Ca 0.05 -0.22 -0.02 0.00 2.11 0.00 0.00 58.89 60.81 3dh1 h TRP 83 Cb 0.68 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.43 3dh1 h TRP 83 CO 0.02 1.03 0.34 0.00 -2.79 0.00 0.00 178.44 177.04 3dh1 h ARG 85 N 0.92 0.70 -0.00 0.00 2.43 -1.30 -0.80 114.38 116.33 3dh1 h ARG 85 Ca 0.23 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3dh1 h ARG 85 Cb 0.08 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3dh1 h ARG 85 CO -0.03 0.46 -0.63 1.04 -1.51 0.00 0.00 179.97 179.30 3dh1 n GLN 86 N -4.65 0.42 -0.00 0.20 6.02 -1.10 -4.17 117.38 114.10 3dh1 n GLN 86 Ca 0.21 -0.31 0.10 0.00 -0.01 0.00 0.00 57.00 56.99 3dh1 n GLN 86 Cb 0.54 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 30.17 3dh1 n GLN 86 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3dh1 n SER 87 N -1.02 0.65 0.00 1.08 7.64 -0.37 -4.96 113.62 116.63 3dh1 n SER 87 Ca 0.07 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.38 3dh1 n SER 87 Cb 0.37 1.40 0.00 0.00 -1.01 0.00 0.00 64.21 64.97 3dh1 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dh1 n GLY 88 N 1.41 2.14 3.77 0.23 0.00 -0.80 -5.00 105.19 106.93 3dh1 n GLY 88 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3dh1 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dh1 s LYS 89 N -0.00 3.81 0.28 1.61 -0.14 -1.22 -5.04 119.74 119.05 3dh1 s LYS 89 Ca 0.00 1.91 -0.21 0.00 -1.36 0.00 0.00 55.97 56.31 3dh1 s LYS 89 Cb 0.00 -2.53 -0.09 0.00 -1.68 0.00 0.00 37.83 33.53 3dh1 s LYS 89 CO 0.00 -0.54 0.81 -1.54 -0.76 0.00 0.00 175.35 173.31 3dh1 s SER 90 N -1.14 7.08 0.20 2.83 1.04 -1.26 -4.55 113.70 117.89 3dh1 s SER 90 Ca 0.61 1.54 -0.11 0.00 0.48 0.00 0.00 55.95 58.47 3dh1 s SER 90 Cb -0.32 -2.47 0.21 0.00 0.10 0.00 0.00 66.02 63.54 3dh1 s SER 90 CO 0.40 -0.07 1.79 -0.65 0.98 0.00 0.00 173.24 175.69 3dh1 h PRO 91 N 3.02 0.57 -0.31 4.02 0.11 -1.96 -1.88 132.00 135.58 3dh1 h PRO 91 Ca -0.48 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.66 3dh1 h PRO 91 Cb 1.19 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 3dh1 h PRO 91 CO 0.65 0.38 -0.03 0.66 -0.21 0.00 0.00 178.00 179.44 3dh1 h SER 92 N 0.59 -0.19 -0.94 -2.05 4.64 -1.94 0.20 113.55 113.86 3dh1 h SER 92 Ca 0.27 0.08 0.12 0.00 -0.47 0.00 0.00 61.79 61.79 3dh1 h SER 92 Cb 0.19 0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.35 3dh1 h SER 92 CO -0.19 -0.06 0.57 -0.08 -0.87 0.00 0.00 176.83 176.20 3dh1 h GLU 93 N 0.05 0.88 0.00 4.77 4.81 -1.85 -2.64 114.58 120.61 3dh1 h GLU 93 Ca 0.15 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3dh1 h GLU 93 Cb 0.21 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3dh1 h GLU 93 CO -0.28 0.58 -0.12 0.28 -0.73 0.00 0.00 179.01 178.74 3dh1 h VAL 94 N 0.90 0.16 -0.85 0.32 2.07 -0.50 -3.38 116.25 114.97 3dh1 h VAL 94 Ca 0.47 -1.13 0.14 0.00 0.82 0.00 0.00 66.70 67.00 3dh1 h VAL 94 Cb 0.47 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 3dh1 h VAL 94 CO -0.27 0.05 0.55 -0.26 0.02 0.00 0.00 177.57 177.67 3dh1 h PHE 95 N -1.00 0.74 0.00 1.57 -1.00 -0.75 -1.32 116.94 115.18 3dh1 h PHE 95 Ca -0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3dh1 h PHE 95 Cb 0.20 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.53 3dh1 h PHE 95 CO -0.02 0.28 0.00 0.93 -1.61 0.00 0.00 178.31 177.90 3dh1 h GLU 96 N 0.64 0.00 0.00 1.51 5.08 -1.60 -2.67 114.58 117.54 3dh1 h GLU 96 Ca 0.42 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.77 3dh1 h GLU 96 Cb 0.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3dh1 h GLU 96 CO -0.18 0.00 -0.30 0.72 -1.00 0.00 0.00 179.01 178.25 3dh1 n HIS 97 N -2.46 0.00 -4.14 4.33 8.25 -0.53 -4.47 115.22 116.20 3dh1 n HIS 97 Ca -0.00 -0.94 -0.35 0.00 -0.26 0.00 0.00 57.72 56.17 3dh1 n HIS 97 Cb 0.14 -0.16 -0.08 0.00 1.12 0.00 0.00 29.99 31.01 3dh1 n HIS 97 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3dh1 s THR 98 N -2.30 4.79 -0.13 1.59 2.01 -1.00 -4.50 115.64 116.10 3dh1 s THR 98 Ca 0.29 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 3dh1 s THR 98 Cb 0.27 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 3dh1 s THR 98 CO -0.02 0.51 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 3dh1 s VAL 99 N -1.04 3.78 -0.17 3.82 1.01 -0.37 -4.19 120.40 123.24 3dh1 s VAL 99 Ca 0.17 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 3dh1 s VAL 99 Cb -0.12 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3dh1 s VAL 99 CO 0.07 0.53 0.11 -0.22 0.00 0.00 0.00 175.10 175.59 3dh1 s LEU 100 N 0.02 4.14 -0.16 3.92 2.96 -0.90 -1.11 118.68 127.55 3dh1 s LEU 100 Ca -0.00 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 3dh1 s LEU 100 Cb -0.13 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3dh1 s LEU 100 CO 0.03 0.24 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.82 3dh1 s TYR 101 N -0.01 2.77 0.02 5.38 1.51 -0.15 -0.25 117.35 126.61 3dh1 s TYR 101 Ca 0.09 -1.27 -0.00 0.00 -1.01 0.00 0.00 57.07 54.88 3dh1 s TYR 101 Cb -0.12 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 3dh1 s TYR 101 CO 0.00 -0.61 -0.03 0.14 -1.11 0.00 0.00 175.55 173.95 3dh1 s VAL 102 N 1.00 0.11 0.20 0.71 -7.23 -0.17 -1.65 120.40 113.37 3dh1 s VAL 102 Ca -0.02 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 3dh1 s VAL 102 Cb -0.15 -0.29 -0.08 0.00 0.56 0.00 0.00 36.38 36.43 3dh1 s VAL 102 CO -0.04 -0.51 1.48 0.74 -0.31 0.00 0.00 175.10 176.46 3dh1 h THR 103 N 4.61 1.37 -4.31 5.32 2.02 -1.80 -2.59 112.91 117.54 3dh1 h THR 103 Ca -0.32 -2.04 -0.55 0.00 0.77 0.00 0.00 66.41 64.27 3dh1 h THR 103 Cb 1.21 2.02 -0.29 0.00 -1.74 0.00 0.00 68.15 69.35 3dh1 h THR 103 CO 0.42 0.61 -0.83 -0.69 0.37 0.00 0.00 175.52 175.39 3dh1 s VAL 104 N -3.72 1.39 -0.26 3.16 1.01 -1.26 -2.06 120.40 118.66 3dh1 s VAL 104 Ca -0.05 -0.77 -0.40 0.00 0.00 0.00 0.00 61.98 60.76 3dh1 s VAL 104 Cb 0.11 -1.16 -0.18 0.00 0.00 0.00 0.00 36.38 35.15 3dh1 s VAL 104 CO 0.83 0.38 1.24 1.21 0.00 0.00 0.00 175.10 178.75 3dh1 n GLU 105 N 2.60 0.00 -1.61 2.72 2.13 -0.29 -4.83 120.64 121.36 3dh1 n GLU 105 Ca -0.15 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.23 3dh1 n GLU 105 Cb 0.54 -1.34 -0.01 0.00 0.27 0.00 0.00 31.44 30.89 3dh1 n GLU 105 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3dh1 n PRO 106 N 2.66 1.46 -1.57 5.31 -0.02 -1.26 -4.57 135.00 137.01 3dh1 n PRO 106 Ca 0.24 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.94 3dh1 n PRO 106 Cb -0.00 -1.93 0.17 0.00 -0.02 0.00 0.00 33.50 31.72 3dh1 n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dh1 h ILE 108 N -1.76 0.79 0.05 0.00 2.04 -1.20 0.31 117.51 117.74 3dh1 h ILE 108 Ca -0.47 -0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.22 3dh1 h ILE 108 Cb 1.30 0.78 0.02 0.00 -0.74 0.00 0.00 36.82 38.17 3dh1 h ILE 108 CO 0.49 0.00 -0.66 -0.03 0.00 0.00 0.00 178.15 177.95 3dh1 h MET 109 N 0.01 0.37 0.00 2.37 4.05 -1.91 -2.77 114.93 117.05 3dh1 h MET 109 Ca 0.21 -0.46 -0.12 0.00 -0.28 0.00 0.00 59.70 59.05 3dh1 h MET 109 Cb 0.81 0.14 0.01 0.00 -0.80 0.00 0.00 31.60 31.76 3dh1 h MET 109 CO -0.00 1.14 -0.46 0.00 0.23 0.00 0.00 176.91 177.82 3dh1 h ALA 111 N 0.28 1.86 -0.15 0.00 0.00 -0.56 0.20 119.26 120.89 3dh1 h ALA 111 Ca -0.06 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3dh1 h ALA 111 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3dh1 h ALA 111 CO 0.09 -0.20 -0.70 0.00 0.00 0.00 0.00 179.25 178.44 3dh1 h ALA 112 N 1.63 0.48 -0.12 0.00 0.00 -1.32 -2.81 119.26 117.11 3dh1 h ALA 112 Ca 0.54 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dh1 h ALA 112 Cb 0.99 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3dh1 h ALA 112 CO -0.31 0.71 -0.10 0.00 0.00 0.00 0.00 179.25 179.55 3dh1 h ALA 113 N 0.75 -0.01 -0.89 0.00 0.00 -0.19 -2.57 119.26 116.35 3dh1 h ALA 113 Ca -0.03 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3dh1 h ALA 113 Cb 1.30 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 3dh1 h ALA 113 CO 0.14 -0.56 0.57 -0.07 0.00 0.00 0.00 179.25 179.33 3dh1 h LEU 114 N -0.12 0.84 -0.60 0.00 3.38 -0.64 0.15 115.31 118.32 3dh1 h LEU 114 Ca 0.08 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3dh1 h LEU 114 Cb 0.24 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3dh1 h LEU 114 CO -0.19 0.52 0.27 0.03 0.09 0.00 0.00 178.44 179.16 3dh1 h ARG 115 N 0.94 0.88 -0.35 1.13 3.08 -1.29 0.00 114.38 118.77 3dh1 h ARG 115 Ca 0.39 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 3dh1 h ARG 115 Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3dh1 h ARG 115 CO -0.16 0.72 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.10 3dh1 h LEU 116 N 0.82 0.76 -0.98 3.04 3.38 -0.86 -2.01 115.31 119.46 3dh1 h LEU 116 Ca 0.20 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3dh1 h LEU 116 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3dh1 h LEU 116 CO -0.02 1.00 -0.17 0.24 0.09 0.00 0.00 178.44 179.58 3dh1 h MET 117 N 0.63 0.00 -1.90 1.13 2.86 -0.66 -3.45 114.93 113.54 3dh1 h MET 117 Ca 0.07 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 3dh1 h MET 117 Cb 0.81 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.49 3dh1 h MET 117 CO 0.07 0.17 -0.19 1.63 1.06 0.00 0.00 176.91 179.64 3dh1 n LYS 118 N -3.27 -1.73 -2.28 1.72 5.02 -0.04 -4.52 118.16 113.04 3dh1 n LYS 118 Ca 0.01 0.28 -0.42 0.00 -2.02 0.00 0.00 58.31 56.16 3dh1 n LYS 118 Cb 0.44 -3.79 -0.03 0.00 -0.02 0.00 0.00 35.03 31.63 3dh1 n LYS 118 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3dh1 s ILE 119 N -2.80 3.81 0.13 -0.18 1.09 -1.02 -4.01 121.20 118.22 3dh1 s ILE 119 Ca 0.11 1.21 0.02 0.00 -1.10 0.00 0.00 60.65 60.90 3dh1 s ILE 119 Cb -0.05 -3.78 -0.20 0.00 -1.06 0.00 0.00 42.46 37.37 3dh1 s ILE 119 CO 0.14 0.02 1.28 1.55 -0.10 0.00 0.00 174.94 177.83 3dh1 h PRO 120 N 7.55 0.15 -4.12 2.79 0.13 -1.77 -3.43 132.00 133.29 3dh1 h PRO 120 Ca -0.38 -0.21 -0.32 0.00 -0.87 0.00 0.00 66.00 64.23 3dh1 h PRO 120 Cb 1.18 0.07 -0.29 0.00 0.13 0.00 0.00 31.00 32.09 3dh1 h PRO 120 CO 0.88 1.04 -0.75 -1.17 -0.23 0.00 0.00 178.00 177.77 3dh1 s LEU 121 N -7.11 1.86 -0.10 1.56 2.96 -1.26 -1.58 118.68 115.00 3dh1 s LEU 121 Ca -0.02 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3dh1 s LEU 121 Cb 0.09 -0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.57 3dh1 s LEU 121 CO 0.84 0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 175.09 3dh1 s VAL 122 N 0.11 1.26 -0.19 1.68 1.01 -0.46 -2.12 120.40 121.69 3dh1 s VAL 122 Ca -0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 3dh1 s VAL 122 Cb -0.04 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3dh1 s VAL 122 CO -0.00 0.40 0.06 -0.69 0.00 0.00 0.00 175.10 174.86 3dh1 s VAL 123 N 1.21 4.61 0.13 2.92 1.01 0.66 -1.52 120.40 129.43 3dh1 s VAL 123 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 3dh1 s VAL 123 Cb -0.14 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3dh1 s VAL 123 CO -0.04 0.43 0.04 -0.72 0.00 0.00 0.00 175.10 174.82 3dh1 s TYR 124 N 0.64 0.90 0.00 5.22 1.13 -0.97 -1.00 117.35 123.27 3dh1 s TYR 124 Ca 0.03 -1.19 0.00 0.00 -1.41 0.00 0.00 57.07 54.49 3dh1 s TYR 124 Cb -0.13 -0.51 0.00 0.00 -1.10 0.00 0.00 41.96 40.22 3dh1 s TYR 124 CO 0.02 -0.46 0.00 0.41 -2.51 0.00 0.00 175.55 173.00 3dh1 n GLY 125 N -0.10 0.85 3.93 5.49 0.00 -0.97 -1.07 105.19 113.31 3dh1 n GLY 125 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 3dh1 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dh1 s GLN 127 N -5.01 4.33 -1.01 0.00 -1.52 -1.26 -1.14 119.66 114.05 3dh1 s GLN 127 Ca 0.56 1.44 -0.11 0.00 -1.95 0.00 0.00 55.36 55.29 3dh1 s GLN 127 Cb -0.11 -2.63 0.25 0.00 -0.22 0.00 0.00 33.01 30.30 3dh1 s GLN 127 CO 0.43 0.02 1.01 1.21 -0.25 0.00 0.00 175.29 177.71 3dh1 s ASN 128 N -1.59 7.10 0.49 5.90 3.84 -1.26 -4.73 114.94 124.68 3dh1 s ASN 128 Ca 0.55 -3.21 0.21 0.00 0.21 0.00 0.00 52.86 50.63 3dh1 s ASN 128 Cb -0.20 -2.22 1.27 0.00 -0.55 0.00 0.00 41.25 39.54 3dh1 s ASN 128 CO 0.26 -0.43 2.05 -0.33 -2.79 0.00 0.00 177.10 175.86 3dh1 h GLU 129 N 7.15 0.00 0.00 0.43 5.08 -1.96 -0.96 114.58 124.32 3dh1 h GLU 129 Ca 0.16 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 3dh1 h GLU 129 Cb 0.94 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.20 3dh1 h GLU 129 CO 0.93 0.14 -0.54 0.00 -1.00 0.00 0.00 179.01 178.54 3dh1 h ARG 130 N 0.00 0.36 0.00 2.33 3.08 -1.99 -3.44 114.38 114.73 3dh1 h ARG 130 Ca -0.00 -0.40 -0.07 0.00 0.07 0.00 0.00 59.98 59.59 3dh1 h ARG 130 Cb 0.29 0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.35 3dh1 h ARG 130 CO 0.02 1.08 -0.38 0.34 -1.07 0.00 0.00 179.97 179.96 3dh1 n PHE 131 N -4.27 0.00 -2.28 3.04 7.35 -1.18 -4.95 117.46 115.17 3dh1 n PHE 131 Ca -0.10 -0.22 -0.41 0.00 -0.76 0.00 0.00 57.45 55.96 3dh1 n PHE 131 Cb 0.65 0.17 -0.03 0.00 0.35 0.00 0.00 39.48 40.62 3dh1 n PHE 131 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3dh1 s GLY 132 N -0.85 2.84 -0.24 7.13 0.00 -0.37 -0.77 107.32 115.06 3dh1 s GLY 132 Ca 0.06 1.07 0.13 0.00 0.00 0.00 0.00 44.72 45.98 3dh1 s GLY 132 CO -0.03 1.82 1.53 0.61 0.00 0.00 0.00 173.10 177.03 3dh1 n GLY 133 N 1.49 4.16 0.24 0.20 0.00 -0.06 -2.11 105.19 109.12 3dh1 n GLY 133 Ca 0.02 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 45.05 3dh1 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dh1 n GLY 135 N -1.32 1.34 0.17 0.00 0.00 -0.05 -4.83 105.19 100.50 3dh1 n GLY 135 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 3dh1 n GLY 135 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dh1 h SER 136 N 1.58 -0.35 0.04 1.61 0.02 -1.87 -3.40 113.55 111.19 3dh1 h SER 136 Ca 0.00 0.01 -0.37 0.00 -0.84 0.00 0.00 61.79 60.60 3dh1 h SER 136 Cb 0.00 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 3dh1 h SER 136 CO 0.00 -0.20 -2.09 0.52 -1.14 0.00 0.00 176.83 173.92 3dh1 n VAL 137 N -3.41 1.61 -3.84 2.27 0.31 -0.90 -4.99 118.33 109.39 3dh1 n VAL 137 Ca -0.05 -0.46 -0.09 0.00 -0.01 0.00 0.00 64.34 63.73 3dh1 n VAL 137 Cb 0.16 -1.73 -0.07 0.00 -0.91 0.00 0.00 33.84 31.29 3dh1 n VAL 137 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3dh1 s LEU 138 N -7.14 1.31 -0.79 7.52 1.43 -1.04 -5.06 118.68 114.90 3dh1 s LEU 138 Ca -0.30 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.20 3dh1 s LEU 138 Cb 0.09 1.12 0.21 0.00 0.03 0.00 0.00 46.19 47.64 3dh1 s LEU 138 CO 0.64 -0.75 0.70 -3.20 0.23 0.00 0.00 176.35 173.97 3dh1 n ASN 139 N -0.08 3.79 0.14 2.29 2.85 -1.26 -0.88 115.26 122.11 3dh1 n ASN 139 Ca -0.15 -3.23 0.02 0.00 -0.11 0.00 0.00 54.58 51.10 3dh1 n ASN 139 Cb 0.63 -0.89 0.35 0.00 1.24 0.00 0.00 39.78 41.11 3dh1 n ASN 139 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3dh1 h ILE 140 N 4.00 1.24 -0.17 -1.44 1.08 -1.69 -2.90 117.51 117.63 3dh1 h ILE 140 Ca 0.17 -1.12 0.04 0.00 -0.39 0.00 0.00 64.86 63.56 3dh1 h ILE 140 Cb 0.75 1.50 -0.07 0.00 -3.07 0.00 0.00 36.82 35.93 3dh1 h ILE 140 CO 0.82 0.33 -0.44 0.00 -0.69 0.00 0.00 178.15 178.18 3dh1 h ALA 141 N 1.59 -0.61 -0.08 1.87 0.00 -1.80 -3.17 119.26 117.06 3dh1 h ALA 141 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dh1 h ALA 141 Cb 0.58 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3dh1 h ALA 141 CO 0.04 -0.94 0.00 -1.13 0.00 0.00 0.00 179.25 177.22 3dh1 n SER 142 N -5.43 2.92 -4.69 0.00 3.41 -1.24 -1.72 113.62 106.87 3dh1 n SER 142 Ca -0.04 -1.95 -0.42 0.00 -0.26 0.00 0.00 58.87 56.20 3dh1 n SER 142 Cb 0.36 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3dh1 n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dh1 n ALA 143 N 1.26 1.19 -2.77 7.33 0.00 -1.09 -4.92 120.51 121.51 3dh1 n ALA 143 Ca 0.15 0.30 -0.43 0.00 0.00 0.00 0.00 53.44 53.46 3dh1 n ALA 143 Cb 0.58 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 3dh1 n ALA 143 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dh1 s ASP 144 N -0.47 6.51 -0.28 0.00 2.15 -1.26 -4.77 116.67 118.56 3dh1 s ASP 144 Ca 0.59 -1.63 -0.01 0.00 0.43 0.00 0.00 52.55 51.93 3dh1 s ASP 144 Cb -0.54 -2.47 0.09 0.00 -0.30 0.00 0.00 42.92 39.70 3dh1 s ASP 144 CO 0.60 -1.31 0.07 -0.76 -0.17 0.00 0.00 175.17 173.59 3dh1 s LEU 145 N 3.83 2.08 0.21 -1.34 1.43 -1.26 -5.04 118.68 118.59 3dh1 s LEU 145 Ca 0.36 -1.41 -0.10 0.00 -1.03 0.00 0.00 54.13 51.95 3dh1 s LEU 145 Cb -0.05 -0.85 0.16 0.00 0.03 0.00 0.00 46.19 45.49 3dh1 s LEU 145 CO -0.06 -0.37 1.87 -0.65 0.23 0.00 0.00 176.35 177.37 3dh1 h PRO 146 N 8.10 0.95 -0.23 1.29 0.11 -1.94 -3.23 132.00 137.06 3dh1 h PRO 146 Ca -0.14 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.86 3dh1 h PRO 146 Cb 1.05 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 3dh1 h PRO 146 CO 0.43 0.63 -0.03 0.09 -0.21 0.00 0.00 178.00 178.91 3dh1 n ASN 147 N -4.59 3.18 -3.63 -2.05 3.02 -1.26 -4.87 115.26 105.06 3dh1 n ASN 147 Ca 0.07 -3.25 -0.29 0.00 -0.03 0.00 0.00 54.58 51.08 3dh1 n ASN 147 Cb 0.03 -0.55 -0.15 0.00 -0.61 0.00 0.00 39.78 38.51 3dh1 n ASN 147 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3dh1 s THR 148 N -2.96 0.42 0.00 3.41 -4.23 -1.22 -5.08 115.64 105.97 3dh1 s THR 148 Ca 0.41 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 3dh1 s THR 148 Cb 0.35 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.86 3dh1 s THR 148 CO 0.05 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 3dh1 n GLY 149 N 4.95 0.97 3.10 3.99 0.00 -1.26 -4.81 105.19 112.13 3dh1 n GLY 149 Ca -0.03 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 3dh1 n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dh1 s ARG 150 N 0.00 0.69 0.68 1.61 0.52 -0.79 -4.98 118.95 116.69 3dh1 s ARG 150 Ca 0.00 -0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 54.31 3dh1 s ARG 150 Cb 0.00 -0.60 0.01 0.00 0.52 0.00 0.00 34.95 34.88 3dh1 s ARG 150 CO 0.00 0.14 1.17 -1.25 0.02 0.00 0.00 175.30 175.37 3dh1 s PRO 151 N -1.34 2.52 0.22 3.54 0.04 -1.26 -4.54 135.00 134.16 3dh1 s PRO 151 Ca -0.04 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.64 3dh1 s PRO 151 Cb -0.09 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 3dh1 s PRO 151 CO 0.01 -1.51 0.04 -0.59 0.04 0.00 0.00 177.00 174.98 3dh1 s PHE 152 N -2.07 1.40 0.06 0.56 -0.12 -0.70 -4.90 117.98 112.21 3dh1 s PHE 152 Ca 0.72 -1.06 0.02 0.00 -0.05 0.00 0.00 56.93 56.56 3dh1 s PHE 152 Cb -0.26 -0.81 -0.04 0.00 -0.63 0.00 0.00 43.02 41.28 3dh1 s PHE 152 CO 0.42 -0.23 0.08 -1.14 -0.05 0.00 0.00 175.22 174.30 3dh1 s GLN 153 N -3.95 2.93 0.12 1.99 2.00 -0.62 -4.37 119.66 117.75 3dh1 s GLN 153 Ca 0.30 -0.64 0.09 0.00 -2.00 0.00 0.00 55.36 53.11 3dh1 s GLN 153 Cb 0.07 -2.76 -0.04 0.00 0.80 0.00 0.00 33.01 31.08 3dh1 s GLN 153 CO 0.09 0.58 -0.23 0.00 -0.50 0.00 0.00 175.29 175.22 3dh1 s ILE 155 N -1.15 1.80 0.93 0.00 1.01 -0.57 -4.97 121.20 118.24 3dh1 s ILE 155 Ca 0.10 -2.72 -0.12 0.00 0.00 0.00 0.00 60.65 57.91 3dh1 s ILE 155 Cb -0.10 -2.26 0.15 0.00 0.01 0.00 0.00 42.46 40.26 3dh1 s ILE 155 CO 0.05 -0.83 1.13 -2.16 0.00 0.00 0.00 174.94 173.12 3dh1 s PRO 156 N 0.26 1.00 0.00 2.79 0.04 -1.26 -2.30 135.00 135.52 3dh1 s PRO 156 Ca 0.17 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.56 3dh1 s PRO 156 Cb -0.24 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3dh1 s PRO 156 CO -0.02 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.13 3dh1 n GLY 157 N -1.94 0.85 3.59 0.56 0.00 -0.23 -4.87 105.19 103.15 3dh1 n GLY 157 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3dh1 n GLY 157 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dh1 s TYR 158 N -2.00 2.95 -1.43 1.61 5.04 -0.91 -3.39 117.35 119.21 3dh1 s TYR 158 Ca 0.00 0.59 -0.06 0.00 -2.44 0.00 0.00 57.07 55.17 3dh1 s TYR 158 Cb 0.00 -3.98 0.04 0.00 0.35 0.00 0.00 41.96 38.37 3dh1 s TYR 158 CO 0.00 -1.05 0.72 0.54 -1.34 0.00 0.00 175.55 174.42 3dh1 n ARG 159 N 7.20 -4.56 -0.22 4.97 1.74 -1.26 -4.05 116.66 120.49 3dh1 n ARG 159 Ca 0.08 0.54 -0.05 0.00 -0.77 0.00 0.00 57.85 57.65 3dh1 n ARG 159 Cb 0.48 -5.11 0.10 0.00 -1.02 0.00 0.00 32.46 26.92 3dh1 n ARG 159 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dh1 h ALA 160 N 0.89 1.06 0.12 7.54 0.00 -1.80 -2.72 119.26 124.35 3dh1 h ALA 160 Ca -0.61 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.10 3dh1 h ALA 160 Cb 1.37 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3dh1 h ALA 160 CO 0.63 0.63 -0.39 0.93 0.00 0.00 0.00 179.25 181.05 3dh1 h GLU 161 N 0.99 -0.60 0.43 0.00 5.08 -1.90 0.17 114.58 118.75 3dh1 h GLU 161 Ca 0.21 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 3dh1 h GLU 161 Cb 0.33 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3dh1 h GLU 161 CO -0.00 -0.40 -0.31 0.93 -1.00 0.00 0.00 179.01 178.23 3dh1 h GLU 162 N -0.63 -0.70 -0.74 2.33 5.08 -1.94 0.46 114.58 118.45 3dh1 h GLU 162 Ca 0.02 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.60 3dh1 h GLU 162 Cb 0.65 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.93 3dh1 h GLU 162 CO -0.23 -0.47 0.01 0.00 -1.00 0.00 0.00 179.01 177.33 3dh1 h ALA 163 N -0.24 0.77 -0.37 3.43 0.00 -1.33 0.21 119.26 121.73 3dh1 h ALA 163 Ca -0.04 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3dh1 h ALA 163 Cb 0.62 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3dh1 h ALA 163 CO 0.01 -0.42 -0.17 -0.24 0.00 0.00 0.00 179.25 178.44 3dh1 h VAL 164 N 0.11 1.26 0.00 0.00 3.04 -0.75 -2.29 116.25 117.63 3dh1 h VAL 164 Ca 0.40 -1.22 -0.03 0.00 -1.01 0.00 0.00 66.70 64.84 3dh1 h VAL 164 Cb 0.70 1.15 -0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3dh1 h VAL 164 CO -0.64 0.41 -0.16 -0.08 -1.01 0.00 0.00 177.57 176.09 3dh1 h GLU 165 N 0.62 0.00 0.06 4.17 4.81 0.16 0.13 114.58 124.53 3dh1 h GLU 165 Ca 0.10 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.05 3dh1 h GLU 165 Cb 0.63 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.03 3dh1 h GLU 165 CO 0.04 0.16 -1.13 0.52 -0.73 0.00 0.00 179.01 177.87 3dh1 h MET 166 N 0.00 0.64 -0.56 1.92 2.86 -0.76 -2.82 114.93 116.21 3dh1 h MET 166 Ca -0.00 -0.76 -0.10 0.00 -2.06 0.00 0.00 59.70 56.77 3dh1 h MET 166 Cb 0.28 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3dh1 h MET 166 CO 0.02 1.33 -0.05 -0.07 1.06 0.00 0.00 176.91 179.21 3dh1 h LEU 167 N 0.33 1.02 -0.17 1.22 3.38 -0.93 -2.05 115.31 118.10 3dh1 h LEU 167 Ca -0.15 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3dh1 h LEU 167 Cb 1.79 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 3dh1 h LEU 167 CO 0.22 1.10 0.08 0.11 0.09 0.00 0.00 178.44 180.04 3dh1 h LYS 168 N 0.91 0.25 -0.75 1.13 1.57 -1.04 -2.31 116.57 116.33 3dh1 h LYS 168 Ca 0.15 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3dh1 h LYS 168 Cb 0.61 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 3dh1 h LYS 168 CO 0.04 0.30 0.47 0.00 -0.57 0.00 0.00 179.45 179.69 3dh1 h THR 169 N 0.15 1.10 -0.33 -0.16 1.03 -1.49 -2.86 112.91 110.34 3dh1 h THR 169 Ca 0.06 -0.32 -0.01 0.00 -0.01 0.00 0.00 66.41 66.13 3dh1 h THR 169 Cb 0.13 0.10 -0.02 0.00 -1.07 0.00 0.00 68.15 67.30 3dh1 h THR 169 CO -0.01 0.17 0.14 0.15 -0.01 0.00 0.00 175.52 175.96 3dh1 h PHE 170 N 0.92 0.45 -0.18 0.00 3.57 -0.95 -3.12 116.94 117.63 3dh1 h PHE 170 Ca 0.30 -0.01 -0.69 0.00 3.53 0.00 0.00 57.97 61.11 3dh1 h PHE 170 Cb 0.02 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 3dh1 h PHE 170 CO -0.04 0.35 3.55 0.66 -2.23 0.00 0.00 178.31 180.61 3dh1 n TYR 171 N -4.41 2.59 -1.49 0.41 0.53 -0.91 -5.10 117.16 108.78 3dh1 n TYR 171 Ca 0.02 -3.04 0.00 0.00 -1.02 0.00 0.00 57.90 53.86 3dh1 n TYR 171 Cb 0.13 -2.41 0.00 0.00 -1.03 0.00 0.00 39.34 36.03 3dh1 n TYR 171 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47