#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh1 s ASN 13 N 0.00 6.67 0.41 4.31 3.84 -1.26 -5.02 114.94 123.89 3dh1 s ASN 13 Ca 0.00 -2.21 -0.22 0.00 0.21 0.00 0.00 52.86 50.63 3dh1 s ASN 13 Cb 0.00 -2.36 -0.10 0.00 -0.55 0.00 0.00 41.25 38.24 3dh1 s ASN 13 CO 0.00 -0.95 0.97 -0.76 -2.79 0.00 0.00 177.10 173.57 3dh1 s LEU 14 N 2.10 4.03 -0.11 3.21 1.43 -1.26 -5.04 118.68 123.04 3dh1 s LEU 14 Ca 0.30 1.77 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 3dh1 s LEU 14 Cb -0.06 -4.40 -0.05 0.00 0.03 0.00 0.00 46.19 41.72 3dh1 s LEU 14 CO -0.09 -0.35 0.25 -0.47 0.23 0.00 0.00 176.35 175.92 3dh1 s TYR 15 N -1.99 3.57 -0.16 0.29 5.04 -1.26 -5.07 117.35 117.76 3dh1 s TYR 15 Ca 0.60 0.65 -0.06 0.00 -2.44 0.00 0.00 57.07 55.82 3dh1 s TYR 15 Cb -0.13 -2.18 -0.03 0.00 0.35 0.00 0.00 41.96 39.97 3dh1 s TYR 15 CO 0.17 0.51 0.02 -0.06 -1.34 0.00 0.00 175.55 174.85 3dh1 s PHE 16 N -0.43 3.16 0.25 4.97 0.40 -1.26 -4.21 117.98 120.86 3dh1 s PHE 16 Ca 0.17 -0.06 -0.30 0.00 -0.60 0.00 0.00 56.93 56.14 3dh1 s PHE 16 Cb -0.13 -2.01 -0.09 0.00 0.51 0.00 0.00 43.02 41.30 3dh1 s PHE 16 CO 0.06 0.11 1.23 -0.65 0.70 0.00 0.00 175.22 176.67 3dh1 s GLN 17 N 0.27 4.46 0.91 0.44 -1.52 -1.26 -5.03 119.66 117.93 3dh1 s GLN 17 Ca 0.01 2.00 -0.12 0.00 -1.95 0.00 0.00 55.36 55.30 3dh1 s GLN 17 Cb -0.13 -3.17 0.20 0.00 -0.22 0.00 0.00 33.01 29.69 3dh1 s GLN 17 CO 0.01 -0.09 1.23 -1.13 -0.25 0.00 0.00 175.29 175.07 3dh1 n SER 18 N 1.76 0.43 -0.07 5.90 3.41 -1.26 -4.82 113.62 118.96 3dh1 n SER 18 Ca 0.02 -1.65 -0.10 0.00 -0.26 0.00 0.00 58.87 56.89 3dh1 n SER 18 Cb 0.43 -0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 63.44 3dh1 n SER 18 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3dh1 h MET 19 N 0.00 0.36 -0.47 4.33 2.86 -1.99 0.02 114.93 120.05 3dh1 h MET 19 Ca -0.40 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.17 3dh1 h MET 19 Cb 1.19 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 3dh1 h MET 19 CO 0.31 0.31 0.16 0.93 1.06 0.00 0.00 176.91 179.69 3dh1 h GLU 20 N 0.32 0.71 -0.62 1.72 5.08 -1.99 -0.53 114.58 119.27 3dh1 h GLU 20 Ca 0.09 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3dh1 h GLU 20 Cb 0.05 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3dh1 h GLU 20 CO -0.02 0.67 0.38 0.93 -1.00 0.00 0.00 179.01 179.97 3dh1 h GLU 21 N 0.61 0.83 0.12 2.33 5.08 -1.89 0.28 114.58 121.93 3dh1 h GLU 21 Ca 0.15 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3dh1 h GLU 21 Cb 0.24 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3dh1 h GLU 21 CO -0.01 0.58 -0.06 1.15 -1.00 0.00 0.00 179.01 179.67 3dh1 h THR 22 N 0.84 0.96 -0.73 1.13 2.02 -0.62 -1.63 112.91 114.89 3dh1 h THR 22 Ca 0.22 -0.28 0.11 0.00 0.77 0.00 0.00 66.41 67.24 3dh1 h THR 22 Cb -0.04 1.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.42 3dh1 h THR 22 CO -0.04 0.07 0.34 -0.33 0.37 0.00 0.00 175.52 175.93 3dh1 h GLU 23 N -0.28 0.54 -0.18 6.66 5.08 -0.34 -0.59 114.58 125.46 3dh1 h GLU 23 Ca -0.02 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3dh1 h GLU 23 Cb 0.23 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3dh1 h GLU 23 CO 0.03 0.36 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.09 3dh1 h LYS 24 N 0.56 -0.06 -0.31 2.33 3.64 -0.20 -2.15 116.57 120.38 3dh1 h LYS 24 Ca 0.37 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.68 3dh1 h LYS 24 Cb 0.45 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3dh1 h LYS 24 CO -0.31 -0.04 -0.12 -1.49 -2.27 0.00 0.00 179.45 175.22 3dh1 h TRP 25 N -0.07 0.57 -0.36 1.91 -0.00 -0.25 -2.72 115.95 115.03 3dh1 h TRP 25 Ca 0.10 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.89 58.81 3dh1 h TRP 25 Cb 0.22 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.21 3dh1 h TRP 25 CO -0.24 0.63 -0.16 0.52 -0.00 0.00 0.00 178.44 179.19 3dh1 h MET 26 N 0.49 0.66 -0.58 0.49 2.86 -0.99 -1.08 114.93 116.77 3dh1 h MET 26 Ca 0.09 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3dh1 h MET 26 Cb 0.50 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3dh1 h MET 26 CO 0.03 0.79 0.36 0.93 1.06 0.00 0.00 176.91 180.08 3dh1 h GLU 27 N 0.59 0.78 -0.63 1.72 5.08 -1.09 -1.06 114.58 119.97 3dh1 h GLU 27 Ca 0.10 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3dh1 h GLU 27 Cb 0.61 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3dh1 h GLU 27 CO 0.04 0.55 0.16 1.49 -1.00 0.00 0.00 179.01 180.26 3dh1 h GLU 28 N 0.79 1.00 0.00 2.33 4.81 -1.23 -1.77 114.58 120.51 3dh1 h GLU 28 Ca 0.21 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3dh1 h GLU 28 Cb -0.04 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3dh1 h GLU 28 CO -0.04 0.90 -0.09 0.00 -0.73 0.00 0.00 179.01 179.05 3dh1 h ALA 29 N 1.06 1.78 -0.24 2.92 0.00 -0.89 -2.47 119.26 121.41 3dh1 h ALA 29 Ca 0.20 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3dh1 h ALA 29 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dh1 h ALA 29 CO 0.00 0.11 -0.58 0.52 0.00 0.00 0.00 179.25 179.30 3dh1 h MET 30 N 0.00 0.82 -0.48 0.00 2.86 -0.47 -1.55 114.93 116.11 3dh1 h MET 30 Ca -0.00 -0.56 -0.01 0.00 -2.06 0.00 0.00 59.70 57.07 3dh1 h MET 30 Cb 0.16 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3dh1 h MET 30 CO 0.01 1.19 0.25 0.45 1.06 0.00 0.00 176.91 179.86 3dh1 h HIS 31 N 0.58 0.68 -0.88 -0.22 -0.00 -1.10 -1.60 115.15 112.62 3dh1 h HIS 31 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 3dh1 h HIS 31 Cb 1.19 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 28.35 3dh1 h HIS 31 CO 0.08 0.53 0.56 0.52 -0.00 0.00 0.00 177.93 179.62 3dh1 h MET 32 N 0.64 1.18 -0.85 2.45 2.86 -1.35 -1.07 114.93 118.78 3dh1 h MET 32 Ca 0.17 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3dh1 h MET 32 Cb 0.09 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.45 3dh1 h MET 32 CO -0.02 0.80 0.41 0.00 1.06 0.00 0.00 176.91 179.16 3dh1 h ALA 33 N 1.41 1.10 0.01 6.32 0.00 -0.94 -0.43 119.26 126.74 3dh1 h ALA 33 Ca 0.32 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3dh1 h ALA 33 Cb -0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 3dh1 h ALA 33 CO -0.06 0.67 -0.19 0.87 0.00 0.00 0.00 179.25 180.54 3dh1 h LYS 34 N 1.22 -0.30 -0.89 0.00 1.57 -0.24 -0.90 116.57 117.03 3dh1 h LYS 34 Ca 0.29 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.23 3dh1 h LYS 34 Cb 0.12 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.41 3dh1 h LYS 34 CO -0.04 -0.20 0.50 0.93 -0.57 0.00 0.00 179.45 180.08 3dh1 h GLU 35 N -0.31 0.73 -0.01 3.15 5.08 -1.07 -2.20 114.58 119.96 3dh1 h GLU 35 Ca 0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3dh1 h GLU 35 Cb 0.37 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3dh1 h GLU 35 CO -0.17 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.33 3dh1 h ALA 36 N 1.54 0.01 -0.64 3.43 0.00 -0.51 -2.32 119.26 120.76 3dh1 h ALA 36 Ca 0.47 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.46 3dh1 h ALA 36 Cb 0.59 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 3dh1 h ALA 36 CO -0.32 -0.44 -0.17 1.25 0.00 0.00 0.00 179.25 179.57 3dh1 h LEU 37 N -0.09 -0.62 -0.02 0.00 5.85 -0.74 -0.52 115.31 119.17 3dh1 h LEU 37 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3dh1 h LEU 37 Cb 0.10 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3dh1 h LEU 37 CO -0.00 -0.22 0.00 -0.62 -0.34 0.00 0.00 178.44 177.26 3dh1 n GLU 38 N -5.44 0.01 -0.98 1.25 1.02 -0.87 -1.46 120.64 114.18 3dh1 n GLU 38 Ca 0.08 0.11 -0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3dh1 n GLU 38 Cb 0.34 -1.52 0.36 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.55 5.32 -3.59 1.62 3.02 -0.36 -4.95 115.26 114.77 3dh1 n ASN 39 Ca 0.06 -3.09 -0.27 0.00 -0.03 0.00 0.00 54.58 51.25 3dh1 n ASN 39 Cb 0.28 -0.72 0.02 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.22 -1.72 -4.32 3.41 -1.04 -0.54 -4.92 114.28 105.38 3dh1 n THR 40 Ca 0.35 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 62.10 3dh1 n THR 40 Cb 1.31 -2.67 -0.09 0.00 -1.82 0.00 0.00 70.33 67.06 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 -6.28 1.99 0.09 -2.82 0.41 -0.35 -4.84 118.70 106.90 3dh1 s GLU 41 Ca 0.53 -1.34 -0.34 0.00 -0.41 0.00 0.00 54.97 53.40 3dh1 s GLU 41 Cb -0.26 -2.10 -0.13 0.00 -1.78 0.00 0.00 34.13 29.86 3dh1 s GLU 41 CO 0.65 0.42 1.67 0.28 -0.49 0.00 0.00 175.26 177.79 3dh1 n VAL 42 N -0.06 0.18 -2.35 2.63 0.31 -1.26 -3.58 118.33 114.20 3dh1 n VAL 42 Ca -0.10 -0.03 -0.36 0.00 -0.01 0.00 0.00 64.34 63.84 3dh1 n VAL 42 Cb 0.56 -1.66 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 3dh1 n VAL 42 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3dh1 s PRO 43 N 1.88 3.28 -0.09 5.55 0.04 -1.26 -4.45 135.00 139.94 3dh1 s PRO 43 Ca 0.83 -1.41 0.01 0.00 0.04 0.00 0.00 61.00 60.47 3dh1 s PRO 43 Cb -0.67 -5.36 0.02 0.00 0.04 0.00 0.00 34.50 28.52 3dh1 s PRO 43 CO 0.42 -2.94 -0.09 0.08 0.04 0.00 0.00 177.00 174.51 3dh1 s VAL 44 N 7.20 1.05 0.11 -0.36 1.01 -1.26 -4.81 120.40 123.34 3dh1 s VAL 44 Ca 0.59 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.31 3dh1 s VAL 44 Cb 0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3dh1 s VAL 44 CO 0.06 0.36 -0.25 -0.83 0.00 0.00 0.00 175.10 174.43 3dh1 s GLY 45 N 1.25 1.47 0.07 4.51 0.00 -1.25 -2.62 107.32 110.76 3dh1 s GLY 45 Ca -0.04 -1.39 -0.15 0.00 0.00 0.00 0.00 44.72 43.14 3dh1 s GLY 45 CO -0.03 -1.36 0.36 0.00 0.00 0.00 0.00 173.10 172.07 3dh1 s LEU 47 N -2.36 2.31 -0.11 0.00 1.43 -0.70 -0.80 118.68 118.45 3dh1 s LEU 47 Ca -0.02 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 3dh1 s LEU 47 Cb 0.01 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.39 3dh1 s LEU 47 CO -0.07 0.04 -0.12 -0.04 0.23 0.00 0.00 176.35 176.39 3dh1 s MET 48 N -1.98 1.97 -0.15 1.70 -1.94 0.16 -1.34 119.30 117.72 3dh1 s MET 48 Ca 0.07 -0.45 -0.02 0.00 -1.71 0.00 0.00 55.69 53.57 3dh1 s MET 48 Cb -0.10 -1.78 -0.02 0.00 2.01 0.00 0.00 34.83 34.94 3dh1 s MET 48 CO 0.04 -0.14 -0.07 0.08 -0.01 0.00 0.00 175.02 174.92 3dh1 s VAL 49 N 1.25 3.54 -0.06 -6.03 1.01 -0.66 -0.00 120.40 119.44 3dh1 s VAL 49 Ca -0.02 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3dh1 s VAL 49 Cb -0.14 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.72 3dh1 s VAL 49 CO -0.05 0.50 -0.10 -0.47 0.00 0.00 0.00 175.10 174.99 3dh1 s TYR 50 N 0.42 1.23 -1.58 5.22 5.04 -0.11 -1.83 117.35 125.74 3dh1 s TYR 50 Ca -0.06 -0.43 -0.03 0.00 -2.44 0.00 0.00 57.07 54.11 3dh1 s TYR 50 Cb -0.15 -0.94 0.03 0.00 0.35 0.00 0.00 41.96 41.25 3dh1 s TYR 50 CO 0.04 -0.25 0.11 -1.71 -1.34 0.00 0.00 175.55 172.40 3dh1 n ASN 51 N 3.88 0.51 -1.10 4.32 5.15 -1.26 -1.09 115.26 125.66 3dh1 n ASN 51 Ca -0.24 -1.25 -0.11 0.00 -0.60 0.00 0.00 54.58 52.38 3dh1 n ASN 51 Cb 0.51 -1.72 -0.02 0.00 -0.53 0.00 0.00 39.78 38.02 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 -2.85 -3.96 -4.10 1.20 5.15 -1.26 -4.80 115.26 104.64 3dh1 n ASN 52 Ca -0.28 0.11 -0.20 0.00 -0.60 0.00 0.00 54.58 53.62 3dh1 n ASN 52 Cb 0.67 -2.88 -0.14 0.00 -0.53 0.00 0.00 39.78 36.90 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 -3.87 0.93 -0.65 1.20 2.12 -0.25 -5.08 118.70 113.09 3dh1 s GLU 53 Ca 0.00 -0.59 -0.26 0.00 0.36 0.00 0.00 54.97 54.48 3dh1 s GLU 53 Cb 0.00 -0.91 0.04 0.00 0.26 0.00 0.00 34.13 33.52 3dh1 s GLU 53 CO 0.00 0.24 1.14 0.08 -0.54 0.00 0.00 175.26 176.18 3dh1 s VAL 54 N -0.59 4.02 -1.49 3.70 1.01 -1.26 -0.93 120.40 124.86 3dh1 s VAL 54 Ca 0.03 0.36 0.23 0.00 0.00 0.00 0.00 61.98 62.59 3dh1 s VAL 54 Cb -0.06 -4.77 -0.07 0.00 0.00 0.00 0.00 36.38 31.48 3dh1 s VAL 54 CO 0.00 -1.54 1.09 0.55 0.00 0.00 0.00 175.10 175.21 3dh1 n VAL 55 N 6.33 0.00 -3.64 2.92 3.14 1.00 -4.94 118.33 123.14 3dh1 n VAL 55 Ca 0.03 -0.12 -0.06 0.00 -2.96 0.00 0.00 64.34 61.23 3dh1 n VAL 55 Cb 0.48 0.97 -0.07 0.00 -1.06 0.00 0.00 33.84 34.16 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 -2.74 0.02 0.26 7.55 0.00 -1.08 -3.13 107.32 108.19 3dh1 s GLY 56 Ca 0.14 2.99 0.09 0.00 0.00 0.00 0.00 44.72 47.94 3dh1 s GLY 56 CO 0.70 2.01 -0.15 0.54 0.00 0.00 0.00 173.10 176.20 3dh1 s LYS 57 N 0.38 1.56 -0.29 2.90 1.02 -1.26 0.36 119.74 124.42 3dh1 s LYS 57 Ca 0.02 -1.73 -0.26 0.00 0.02 0.00 0.00 55.97 54.02 3dh1 s LYS 57 Cb -0.05 -1.44 0.18 0.00 -0.52 0.00 0.00 37.83 36.00 3dh1 s LYS 57 CO -0.10 0.21 1.33 0.20 -0.92 0.00 0.00 175.35 176.08 3dh1 s GLY 58 N -3.44 0.20 0.30 -3.33 0.00 0.02 -3.28 107.32 97.78 3dh1 s GLY 58 Ca 0.28 3.20 0.11 0.00 0.00 0.00 0.00 44.72 48.30 3dh1 s GLY 58 CO 0.12 1.76 -0.11 0.50 0.00 0.00 0.00 173.10 175.36 3dh1 s ARG 59 N -0.14 1.87 0.24 2.90 0.52 -1.26 -0.23 118.95 122.85 3dh1 s ARG 59 Ca 0.06 -1.73 -0.31 0.00 -0.52 0.00 0.00 55.73 53.23 3dh1 s ARG 59 Cb -0.04 -1.85 -0.13 0.00 0.52 0.00 0.00 34.95 33.45 3dh1 s ARG 59 CO -0.12 0.27 1.49 0.09 0.02 0.00 0.00 175.30 177.06 3dh1 n ASN 60 N -0.75 3.14 -0.19 0.23 4.13 -1.08 -3.89 115.26 116.85 3dh1 n ASN 60 Ca -0.05 1.13 0.06 0.00 1.68 0.00 0.00 54.58 57.40 3dh1 n ASN 60 Cb 0.61 -1.48 0.09 0.00 -1.54 0.00 0.00 39.78 37.46 3dh1 n ASN 60 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3dh1 n GLU 61 N 2.36 0.94 -0.33 3.52 1.02 -0.68 -4.83 120.64 122.65 3dh1 n GLU 61 Ca 0.12 -2.03 0.04 0.00 -0.02 0.00 0.00 57.16 55.27 3dh1 n GLU 61 Cb 0.32 -1.16 0.19 0.00 -0.02 0.00 0.00 31.44 30.77 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 2.14 0.94 0.07 2.62 2.07 -1.77 0.15 116.25 122.46 3dh1 h VAL 62 Ca 0.00 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 3dh1 h VAL 62 Cb 1.10 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3dh1 h VAL 62 CO 0.00 0.17 -0.49 0.78 0.02 0.00 0.00 177.57 178.05 3dh1 h ASN 63 N 0.91 0.22 -0.49 0.57 4.21 -1.88 0.59 115.58 119.71 3dh1 h ASN 63 Ca 0.44 -0.95 0.08 0.00 1.21 0.00 0.00 56.30 57.08 3dh1 h ASN 63 Cb 0.38 -0.07 -0.07 0.00 -1.12 0.00 0.00 38.32 37.44 3dh1 h ASN 63 CO -0.24 1.23 0.12 1.56 -1.29 0.00 0.00 177.43 178.80 3dh1 h GLN 64 N -0.70 0.25 0.00 0.81 4.20 -1.88 -3.00 115.11 114.79 3dh1 h GLN 64 Ca -0.10 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3dh1 h GLN 64 Cb 1.33 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 3dh1 h GLN 64 CO 0.05 0.17 -0.96 0.00 -0.67 0.00 0.00 178.83 177.42 3dh1 h THR 65 N 0.26 0.05 -4.92 -0.54 1.03 -0.79 -3.48 112.91 104.52 3dh1 h THR 65 Ca 0.25 -1.10 -0.39 0.00 -0.01 0.00 0.00 66.41 65.15 3dh1 h THR 65 Cb 0.32 1.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 3dh1 h THR 65 CO -0.31 0.03 -0.59 0.29 -0.01 0.00 0.00 175.52 174.94 3dh1 n LYS 66 N -2.73 -4.33 -3.91 0.00 5.02 0.20 -4.99 118.16 107.43 3dh1 n LYS 66 Ca -0.01 0.72 -0.29 0.00 -2.02 0.00 0.00 58.31 56.72 3dh1 n LYS 66 Cb 0.58 -5.52 -0.16 0.00 -0.02 0.00 0.00 35.03 29.90 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 -2.72 3.16 0.43 4.39 2.47 -0.94 -5.02 114.94 116.72 3dh1 s ASN 67 Ca 0.35 -0.83 0.29 0.00 0.42 0.00 0.00 52.86 53.09 3dh1 s ASN 67 Cb -0.17 -1.00 1.54 0.00 -1.45 0.00 0.00 41.25 40.17 3dh1 s ASN 67 CO 0.43 -0.20 1.89 0.00 -3.72 0.00 0.00 177.10 175.51 3dh1 h ALA 68 N 8.07 1.00 0.00 1.71 0.00 -1.94 -2.51 119.26 125.58 3dh1 h ALA 68 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3dh1 h ALA 68 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3dh1 h ALA 68 CO 0.41 0.00 -0.51 0.25 0.00 0.00 0.00 179.25 179.40 3dh1 n THR 69 N -2.54 0.04 -1.74 0.00 -2.24 -1.26 -4.67 114.28 101.88 3dh1 n THR 69 Ca -0.01 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 3dh1 n THR 69 Cb 0.08 0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.57 3.15 -2.62 -0.78 1.74 -0.95 -4.79 116.66 110.83 3dh1 n ARG 70 Ca 0.05 -2.67 -0.34 0.00 -0.77 0.00 0.00 57.85 54.13 3dh1 n ARG 70 Cb 0.35 -3.14 -0.05 0.00 -1.02 0.00 0.00 32.46 28.60 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 2.54 3.11 0.34 -1.55 3.76 -1.26 -1.69 115.29 120.54 3dh1 s HIS 71 Ca 0.50 1.58 0.15 0.00 -0.15 0.00 0.00 55.06 57.14 3dh1 s HIS 71 Cb 0.14 -2.99 1.11 0.00 1.11 0.00 0.00 32.58 31.96 3dh1 s HIS 71 CO -0.07 -0.59 1.63 0.00 -0.85 0.00 0.00 174.74 174.86 3dh1 h ALA 72 N 1.63 1.91 -0.59 -1.40 0.00 -1.85 0.27 119.26 119.23 3dh1 h ALA 72 Ca -0.49 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3dh1 h ALA 72 Cb 1.21 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3dh1 h ALA 72 CO 0.60 -0.67 0.04 0.93 0.00 0.00 0.00 179.25 180.15 3dh1 h GLU 73 N 0.20 1.00 -0.14 0.00 3.07 -1.89 -1.99 114.58 114.84 3dh1 h GLU 73 Ca 0.74 -0.28 -0.17 0.00 -0.50 0.00 0.00 59.36 59.15 3dh1 h GLU 73 Cb 1.76 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.56 3dh1 h GLU 73 CO -0.68 0.95 -0.62 0.52 -1.40 0.00 0.00 179.01 177.78 3dh1 h MET 74 N 0.92 0.48 -0.12 2.33 2.86 -0.79 -1.58 114.93 119.04 3dh1 h MET 74 Ca 0.18 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3dh1 h MET 74 Cb 0.48 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3dh1 h MET 74 CO 0.02 0.96 0.03 0.28 1.06 0.00 0.00 176.91 179.25 3dh1 h VAL 75 N 0.36 0.96 -0.33 -2.22 2.07 -1.27 -2.53 116.25 113.28 3dh1 h VAL 75 Ca -0.01 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3dh1 h VAL 75 Cb 1.17 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3dh1 h VAL 75 CO 0.11 0.01 0.19 0.00 0.02 0.00 0.00 177.57 177.90 3dh1 h ALA 76 N 1.08 0.41 -0.72 1.67 0.00 -1.24 -2.19 119.26 118.27 3dh1 h ALA 76 Ca 0.05 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3dh1 h ALA 76 Cb 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3dh1 h ALA 76 CO -0.06 -0.18 0.43 0.82 0.00 0.00 0.00 179.25 180.26 3dh1 h ILE 77 N 0.38 1.03 -0.98 0.00 2.04 -1.25 0.47 117.51 119.21 3dh1 h ILE 77 Ca 0.13 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3dh1 h ILE 77 Cb 0.01 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.20 3dh1 h ILE 77 CO -0.07 0.15 0.65 0.44 0.00 0.00 0.00 178.15 179.32 3dh1 h ASP 78 N 0.80 1.12 -0.41 1.72 5.19 -1.21 -0.33 116.42 123.29 3dh1 h ASP 78 Ca 0.31 -0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.61 3dh1 h ASP 78 Cb 0.12 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 3dh1 h ASP 78 CO -0.15 0.81 -0.06 1.56 -3.12 0.00 0.00 179.24 178.27 3dh1 h GLN 79 N 1.32 0.77 0.16 3.56 4.20 -0.61 -1.34 115.11 123.17 3dh1 h GLN 79 Ca 0.36 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3dh1 h GLN 79 Cb -0.15 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 3dh1 h GLN 79 CO -0.08 0.88 -0.10 0.28 -0.67 0.00 0.00 178.83 179.15 3dh1 h VAL 80 N 0.60 0.79 -0.97 -0.54 2.07 -0.71 0.71 116.25 118.20 3dh1 h VAL 80 Ca 0.11 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.86 3dh1 h VAL 80 Cb 0.58 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 3dh1 h VAL 80 CO 0.03 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 178.18 3dh1 h LEU 81 N -0.25 0.45 -0.64 2.57 3.38 -0.99 -0.28 115.31 119.54 3dh1 h LEU 81 Ca -0.01 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3dh1 h LEU 81 Cb 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3dh1 h LEU 81 CO 0.01 0.15 -0.48 -0.78 0.09 0.00 0.00 178.44 177.43 3dh1 h ASP 82 N 0.43 0.53 -0.54 -0.43 3.58 -0.37 -2.61 116.42 117.01 3dh1 h ASP 82 Ca 0.52 -0.26 -0.10 0.00 0.42 0.00 0.00 57.03 57.61 3dh1 h ASP 82 Cb 1.28 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 3dh1 h ASP 82 CO -0.23 0.93 -0.06 -0.25 -2.88 0.00 0.00 179.24 176.75 3dh1 h TRP 83 N 0.39 1.11 -0.10 0.28 7.01 0.71 -3.00 115.95 122.34 3dh1 h TRP 83 Ca 0.02 -0.21 0.02 0.00 2.11 0.00 0.00 58.89 60.83 3dh1 h TRP 83 Cb 0.99 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.75 3dh1 h TRP 83 CO 0.04 1.01 -0.02 0.00 -2.79 0.00 0.00 178.44 176.68 3dh1 h ARG 85 N 0.01 0.26 0.00 0.00 3.08 -1.33 -1.88 114.38 114.52 3dh1 h ARG 85 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3dh1 h ARG 85 Cb 0.07 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3dh1 h ARG 85 CO -0.10 0.17 -0.96 1.04 -1.07 0.00 0.00 179.97 179.06 3dh1 n GLN 86 N -5.17 0.48 0.03 0.04 6.02 -1.09 -3.80 117.38 113.89 3dh1 n GLN 86 Ca 0.21 0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.39 3dh1 n GLN 86 Cb 0.65 -1.75 0.03 0.00 1.02 0.00 0.00 30.24 30.19 3dh1 n GLN 86 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3dh1 n SER 87 N -2.42 0.62 0.00 1.08 3.41 -0.57 -4.96 113.62 110.79 3dh1 n SER 87 Ca 0.01 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3dh1 n SER 87 Cb 0.51 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 3dh1 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dh1 n GLY 88 N 1.37 1.41 3.85 5.00 0.00 -0.75 -5.03 105.19 111.05 3dh1 n GLY 88 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.19 3.95 0.22 1.61 -0.14 -1.21 -5.04 119.74 118.93 3dh1 s LYS 89 Ca 0.00 0.72 -0.19 0.00 -1.36 0.00 0.00 55.97 55.14 3dh1 s LYS 89 Cb 0.00 -2.32 -0.08 0.00 -1.68 0.00 0.00 37.83 33.75 3dh1 s LYS 89 CO 0.00 -0.03 0.72 -1.54 -0.76 0.00 0.00 175.35 173.74 3dh1 s SER 90 N -2.73 7.05 0.23 2.83 1.04 -1.26 -4.57 113.70 116.29 3dh1 s SER 90 Ca 0.55 1.40 -0.06 0.00 0.48 0.00 0.00 55.95 58.32 3dh1 s SER 90 Cb -0.10 -2.41 0.41 0.00 0.10 0.00 0.00 66.02 64.02 3dh1 s SER 90 CO 0.24 0.04 1.69 -0.65 0.98 0.00 0.00 173.24 175.54 3dh1 h PRO 91 N 3.43 0.25 -0.70 4.02 0.11 -1.96 -2.43 132.00 134.71 3dh1 h PRO 91 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3dh1 h PRO 91 Cb 1.19 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3dh1 h PRO 91 CO 0.65 0.17 0.25 0.66 -0.21 0.00 0.00 178.00 179.52 3dh1 h SER 92 N 0.26 1.00 0.24 -2.05 4.64 -1.94 0.51 113.55 116.20 3dh1 h SER 92 Ca 0.39 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3dh1 h SER 92 Cb 0.64 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3dh1 h SER 92 CO -0.49 0.92 -0.06 -0.08 -0.87 0.00 0.00 176.83 176.25 3dh1 h GLU 93 N 1.02 0.00 0.00 4.77 4.81 -1.85 -2.58 114.58 120.74 3dh1 h GLU 93 Ca 0.23 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.29 3dh1 h GLU 93 Cb 0.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3dh1 h GLU 93 CO -0.01 0.06 -1.44 0.28 -0.73 0.00 0.00 179.01 177.17 3dh1 n VAL 94 N -3.61 1.50 -0.29 0.32 0.31 -0.98 -4.40 118.33 111.17 3dh1 n VAL 94 Ca -0.02 -0.03 0.05 0.00 -0.01 0.00 0.00 64.34 64.33 3dh1 n VAL 94 Cb 0.17 -2.18 0.27 0.00 -0.91 0.00 0.00 33.84 31.19 3dh1 n VAL 94 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3dh1 h PHE 95 N -1.00 1.00 0.00 3.52 -1.00 -1.01 -0.87 116.94 117.58 3dh1 h PHE 95 Ca -0.25 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.55 3dh1 h PHE 95 Cb 1.15 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 40.38 3dh1 h PHE 95 CO -0.24 0.50 0.00 0.39 -1.61 0.00 0.00 178.31 177.34 3dh1 n GLU 96 N -4.51 0.09 -0.72 1.51 1.02 -0.97 -2.35 120.64 114.71 3dh1 n GLU 96 Ca 0.14 0.25 0.04 0.00 -0.02 0.00 0.00 57.16 57.57 3dh1 n GLU 96 Cb 0.25 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.24 3dh1 n GLU 96 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3dh1 n HIS 97 N -1.35 0.00 -3.98 -0.32 8.25 -0.37 -4.57 115.22 112.88 3dh1 n HIS 97 Ca 0.04 -0.65 -0.35 0.00 -0.26 0.00 0.00 57.72 56.50 3dh1 n HIS 97 Cb 0.08 -0.14 -0.09 0.00 1.12 0.00 0.00 29.99 30.96 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 -1.25 4.90 -0.18 1.59 2.01 -0.96 -4.50 115.64 117.26 3dh1 s THR 98 Ca 0.24 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.15 3dh1 s THR 98 Cb 0.24 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 3dh1 s THR 98 CO -0.06 0.48 0.13 -0.69 -0.69 0.00 0.00 174.62 173.78 3dh1 s VAL 99 N 0.22 5.37 -0.10 3.82 1.01 -0.76 -4.13 120.40 125.82 3dh1 s VAL 99 Ca 0.05 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 3dh1 s VAL 99 Cb -0.12 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3dh1 s VAL 99 CO 0.00 0.49 0.34 -0.22 0.00 0.00 0.00 175.10 175.71 3dh1 s LEU 100 N 0.01 4.34 -0.24 3.92 2.96 -0.51 -1.66 118.68 127.49 3dh1 s LEU 100 Ca 0.09 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.73 3dh1 s LEU 100 Cb -0.11 -2.46 0.05 0.00 0.50 0.00 0.00 46.19 44.16 3dh1 s LEU 100 CO -0.00 0.19 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.78 3dh1 s TYR 101 N -0.16 3.16 0.05 5.38 1.51 -0.45 -0.75 117.35 126.09 3dh1 s TYR 101 Ca 0.20 -2.19 0.05 0.00 -1.01 0.00 0.00 57.07 54.12 3dh1 s TYR 101 Cb -0.14 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 3dh1 s TYR 101 CO 0.08 -0.86 -0.13 0.14 -1.11 0.00 0.00 175.55 173.66 3dh1 s VAL 102 N 1.14 1.03 0.16 0.71 -7.23 -0.41 -1.72 120.40 114.08 3dh1 s VAL 102 Ca -0.06 -1.07 -0.08 0.00 -1.81 0.00 0.00 61.98 58.96 3dh1 s VAL 102 Cb -0.19 -0.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.74 3dh1 s VAL 102 CO -0.07 -0.10 1.48 0.74 -0.31 0.00 0.00 175.10 176.85 3dh1 h THR 103 N 4.46 1.28 -4.13 5.32 2.02 -1.78 -2.18 112.91 117.91 3dh1 h THR 103 Ca -0.38 -1.65 -0.61 0.00 0.77 0.00 0.00 66.41 64.53 3dh1 h THR 103 Cb 1.19 1.54 -0.25 0.00 -1.74 0.00 0.00 68.15 68.89 3dh1 h THR 103 CO 0.43 0.54 -0.85 -0.69 0.37 0.00 0.00 175.52 175.31 3dh1 s VAL 104 N -4.23 1.84 -0.20 3.16 1.01 -1.26 -2.74 120.40 117.97 3dh1 s VAL 104 Ca -0.10 -1.36 -0.41 0.00 0.00 0.00 0.00 61.98 60.12 3dh1 s VAL 104 Cb 0.11 -1.61 -0.17 0.00 0.00 0.00 0.00 36.38 34.71 3dh1 s VAL 104 CO 0.87 0.18 1.54 1.21 0.00 0.00 0.00 175.10 178.90 3dh1 n GLU 105 N 1.61 0.78 -1.61 2.72 2.13 -0.62 -4.78 120.64 120.87 3dh1 n GLU 105 Ca -0.18 0.28 -0.46 0.00 0.66 0.00 0.00 57.16 57.47 3dh1 n GLU 105 Cb 0.53 -1.90 -0.02 0.00 0.27 0.00 0.00 31.44 30.32 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 3.93 1.47 -1.36 5.31 -0.02 -1.26 -4.58 135.00 138.49 3dh1 n PRO 106 Ca 0.25 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.95 3dh1 n PRO 106 Cb 0.10 -1.99 0.20 0.00 -0.02 0.00 0.00 33.50 31.79 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 -2.12 1.11 0.26 0.00 2.04 -1.31 0.29 117.51 117.78 3dh1 h ILE 108 Ca -0.47 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 3dh1 h ILE 108 Cb 1.29 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3dh1 h ILE 108 CO 0.42 0.19 -0.13 -0.03 0.00 0.00 0.00 178.15 178.60 3dh1 h MET 109 N 1.03 -0.35 -0.08 2.37 4.05 -1.93 -2.04 114.93 117.99 3dh1 h MET 109 Ca 0.35 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.78 3dh1 h MET 109 Cb 0.05 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 3dh1 h MET 109 CO -0.13 -0.23 0.03 0.00 0.23 0.00 0.00 176.91 176.80 3dh1 h ALA 111 N 0.85 0.79 -0.98 0.00 0.00 -0.99 0.15 119.26 119.08 3dh1 h ALA 111 Ca 0.03 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3dh1 h ALA 111 Cb 0.20 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3dh1 h ALA 111 CO -0.00 -0.27 0.63 0.00 0.00 0.00 0.00 179.25 179.60 3dh1 h ALA 112 N 1.49 1.35 -0.17 0.00 0.00 -1.20 -1.07 119.26 119.66 3dh1 h ALA 112 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3dh1 h ALA 112 Cb 0.50 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3dh1 h ALA 112 CO -0.40 0.42 0.09 0.00 0.00 0.00 0.00 179.25 179.36 3dh1 h ALA 113 N 1.44 0.21 -0.66 0.00 0.00 -0.45 -2.15 119.26 117.66 3dh1 h ALA 113 Ca 0.42 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3dh1 h ALA 113 Cb 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3dh1 h ALA 113 CO -0.17 -0.24 0.26 -0.07 0.00 0.00 0.00 179.25 179.03 3dh1 h LEU 114 N 0.16 0.89 -0.25 0.00 3.38 -0.28 0.13 115.31 119.34 3dh1 h LEU 114 Ca 0.06 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3dh1 h LEU 114 Cb 0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3dh1 h LEU 114 CO -0.01 0.80 0.02 0.03 0.09 0.00 0.00 178.44 179.37 3dh1 h ARG 115 N 0.95 0.10 -0.45 1.13 3.08 -1.09 0.11 114.38 118.22 3dh1 h ARG 115 Ca 0.22 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 3dh1 h ARG 115 Cb 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3dh1 h ARG 115 CO -0.02 0.07 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.85 3dh1 h LEU 116 N 0.10 0.72 -0.67 3.04 3.38 -0.53 -2.14 115.31 119.21 3dh1 h LEU 116 Ca 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3dh1 h LEU 116 Cb 0.14 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3dh1 h LEU 116 CO -0.19 0.80 0.00 0.24 0.09 0.00 0.00 178.44 179.39 3dh1 h MET 117 N 0.70 0.00 -2.22 1.13 2.86 -0.72 -3.45 114.93 113.23 3dh1 h MET 117 Ca 0.13 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.53 3dh1 h MET 117 Cb 0.47 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.13 3dh1 h MET 117 CO 0.02 0.00 -0.33 1.63 1.06 0.00 0.00 176.91 179.29 3dh1 n LYS 118 N -3.01 -1.82 -1.79 1.72 5.02 0.00 -4.47 118.16 113.81 3dh1 n LYS 118 Ca 0.03 0.57 -0.42 0.00 -2.02 0.00 0.00 58.31 56.46 3dh1 n LYS 118 Cb 0.41 -4.71 -0.03 0.00 -0.02 0.00 0.00 35.03 30.69 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 -2.74 2.58 -0.13 -0.18 1.09 -1.06 -4.08 121.20 116.68 3dh1 s ILE 119 Ca 0.08 0.20 0.14 0.00 -1.10 0.00 0.00 60.65 59.97 3dh1 s ILE 119 Cb -0.03 -3.13 0.01 0.00 -1.06 0.00 0.00 42.46 38.25 3dh1 s ILE 119 CO 0.10 0.00 1.34 1.55 -0.10 0.00 0.00 174.94 177.83 3dh1 h PRO 120 N 8.03 0.00 -3.31 2.79 0.13 -1.76 -3.43 132.00 134.44 3dh1 h PRO 120 Ca -0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.38 3dh1 h PRO 120 Cb 1.21 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.98 3dh1 h PRO 120 CO 0.94 0.52 -0.69 -1.17 -0.23 0.00 0.00 178.00 177.38 3dh1 s LEU 121 N -6.39 0.46 -0.16 1.56 2.96 -1.26 -2.38 118.68 113.47 3dh1 s LEU 121 Ca 0.03 0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3dh1 s LEU 121 Cb 0.08 0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.82 3dh1 s LEU 121 CO 0.76 -0.20 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.84 3dh1 s VAL 122 N 1.70 3.53 -0.19 1.68 1.01 -0.32 -1.43 120.40 126.39 3dh1 s VAL 122 Ca -0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3dh1 s VAL 122 Cb -0.12 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3dh1 s VAL 122 CO -0.04 0.49 -0.06 -0.69 0.00 0.00 0.00 175.10 174.80 3dh1 s VAL 123 N 0.52 3.43 0.28 2.92 1.01 0.07 -1.31 120.40 127.31 3dh1 s VAL 123 Ca -0.05 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3dh1 s VAL 123 Cb -0.15 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3dh1 s VAL 123 CO 0.03 0.46 0.10 -0.72 0.00 0.00 0.00 175.10 174.98 3dh1 s TYR 124 N 0.97 1.60 0.00 5.22 1.13 -0.73 -1.29 117.35 124.25 3dh1 s TYR 124 Ca -0.00 -1.19 0.00 0.00 -1.41 0.00 0.00 57.07 54.46 3dh1 s TYR 124 Cb -0.15 -0.94 0.00 0.00 -1.10 0.00 0.00 41.96 39.78 3dh1 s TYR 124 CO 0.00 -0.33 0.00 0.41 -2.51 0.00 0.00 175.55 173.12 3dh1 n GLY 125 N -0.52 0.86 3.93 5.49 0.00 -0.82 -0.85 105.19 113.28 3dh1 n GLY 125 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.20 2.91 -0.76 0.00 -1.52 -1.26 -1.59 119.66 112.25 3dh1 s GLN 127 Ca 0.59 1.14 -0.04 0.00 -1.95 0.00 0.00 55.36 55.11 3dh1 s GLN 127 Cb -0.11 -1.98 0.19 0.00 -0.22 0.00 0.00 33.01 30.89 3dh1 s GLN 127 CO 0.44 -1.13 0.61 1.21 -0.25 0.00 0.00 175.29 176.18 3dh1 s ASN 128 N -3.20 5.71 0.30 5.90 3.84 -1.26 -4.60 114.94 121.64 3dh1 s ASN 128 Ca 0.62 -3.18 0.01 0.00 0.21 0.00 0.00 52.86 50.51 3dh1 s ASN 128 Cb -0.16 -1.92 0.48 0.00 -0.55 0.00 0.00 41.25 39.10 3dh1 s ASN 128 CO 0.47 -0.32 1.87 -0.33 -2.79 0.00 0.00 177.10 176.00 3dh1 h GLU 129 N 6.72 0.76 -0.06 0.43 5.08 -1.96 0.27 114.58 125.82 3dh1 h GLU 129 Ca 0.07 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3dh1 h GLU 129 Cb 0.91 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3dh1 h GLU 129 CO 0.77 0.67 -0.33 0.00 -1.00 0.00 0.00 179.01 179.12 3dh1 h ARG 130 N 0.74 0.33 0.00 2.33 3.08 -1.98 -3.42 114.38 115.45 3dh1 h ARG 130 Ca 0.17 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3dh1 h ARG 130 Cb 0.24 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 3dh1 h ARG 130 CO -0.01 0.93 -0.55 0.34 -1.07 0.00 0.00 179.97 179.61 3dh1 n PHE 131 N -4.42 0.00 -1.66 3.04 7.35 -1.18 -4.95 117.46 115.65 3dh1 n PHE 131 Ca -0.09 -0.08 -0.46 0.00 -0.76 0.00 0.00 57.45 56.06 3dh1 n PHE 131 Cb 0.51 -0.06 -0.04 0.00 0.35 0.00 0.00 39.48 40.24 3dh1 n PHE 131 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dh1 n GLY 132 N 0.02 0.88 0.96 7.13 0.00 0.96 -0.99 105.19 114.15 3dh1 n GLY 132 Ca 0.01 0.60 0.08 0.00 0.00 0.00 0.00 46.02 46.71 3dh1 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dh1 n GLY 133 N 2.80 3.84 0.23 -0.02 0.00 -0.47 -1.92 105.19 109.65 3dh1 n GLY 133 Ca 0.15 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.68 1.78 0.30 0.00 0.00 -0.00 -4.83 105.19 101.76 3dh1 n GLY 135 Ca 0.10 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 1.50 -0.59 0.00 1.61 0.02 -1.87 -3.40 113.55 110.82 3dh1 h SER 136 Ca 0.00 0.02 -0.40 0.00 -0.84 0.00 0.00 61.79 60.57 3dh1 h SER 136 Cb 0.00 0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 3dh1 h SER 136 CO 0.00 -0.22 -2.49 0.52 -1.14 0.00 0.00 176.83 173.50 3dh1 n VAL 137 N -5.05 1.49 -3.94 2.27 0.31 -0.88 -4.96 118.33 107.56 3dh1 n VAL 137 Ca -0.09 -0.54 -0.09 0.00 -0.01 0.00 0.00 64.34 63.62 3dh1 n VAL 137 Cb 0.28 -1.50 -0.08 0.00 -0.91 0.00 0.00 33.84 31.63 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 -6.70 1.60 -0.72 7.52 1.43 -0.81 -5.04 118.68 115.97 3dh1 s LEU 138 Ca -0.36 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 51.99 3dh1 s LEU 138 Cb 0.10 0.83 0.21 0.00 0.03 0.00 0.00 46.19 47.36 3dh1 s LEU 138 CO 0.58 -0.73 0.65 -3.20 0.23 0.00 0.00 176.35 173.88 3dh1 n ASN 139 N -0.05 3.53 0.01 2.29 2.85 -1.26 -0.82 115.26 121.81 3dh1 n ASN 139 Ca -0.13 -3.29 -0.05 0.00 -0.11 0.00 0.00 54.58 51.00 3dh1 n ASN 139 Cb 0.62 -0.78 0.16 0.00 1.24 0.00 0.00 39.78 41.02 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 3.91 1.29 -1.01 -1.44 1.08 -1.29 -2.94 117.51 117.11 3dh1 h ILE 140 Ca 0.17 -1.44 0.21 0.00 -0.39 0.00 0.00 64.86 63.40 3dh1 h ILE 140 Cb 0.72 1.48 -0.11 0.00 -3.07 0.00 0.00 36.82 35.84 3dh1 h ILE 140 CO 0.79 0.45 0.61 0.00 -0.69 0.00 0.00 178.15 179.32 3dh1 h ALA 141 N 1.21 1.72 -0.19 1.87 0.00 -1.81 -2.76 119.26 119.29 3dh1 h ALA 141 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3dh1 h ALA 141 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dh1 h ALA 141 CO 0.06 -0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 3dh1 n SER 142 N -4.81 2.89 -4.75 0.00 3.41 -1.17 -0.81 113.62 108.39 3dh1 n SER 142 Ca 0.25 -2.44 -0.41 0.00 -0.26 0.00 0.00 58.87 56.01 3dh1 n SER 142 Cb 0.63 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3dh1 n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dh1 s ALA 143 N -1.77 3.47 -0.85 7.33 0.00 -1.04 -4.94 121.76 123.96 3dh1 s ALA 143 Ca 0.24 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 53.04 3dh1 s ALA 143 Cb 0.18 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3dh1 s ALA 143 CO 0.08 -0.44 1.70 0.34 0.00 0.00 0.00 175.76 177.45 3dh1 s ASP 144 N -0.34 5.67 -0.35 0.00 2.15 -1.26 -4.78 116.67 117.75 3dh1 s ASP 144 Ca 0.50 -0.63 -0.00 0.00 0.43 0.00 0.00 52.55 52.84 3dh1 s ASP 144 Cb -0.36 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 39.83 3dh1 s ASP 144 CO 0.44 -2.21 0.18 -0.76 -0.17 0.00 0.00 175.17 172.65 3dh1 s LEU 145 N 7.91 1.56 0.17 -1.34 1.43 -1.26 -5.04 118.68 122.10 3dh1 s LEU 145 Ca 0.58 -2.04 -0.15 0.00 -1.03 0.00 0.00 54.13 51.50 3dh1 s LEU 145 Cb -0.06 -0.63 0.10 0.00 0.03 0.00 0.00 46.19 45.62 3dh1 s LEU 145 CO 0.04 -0.34 1.76 -0.65 0.23 0.00 0.00 176.35 177.38 3dh1 h PRO 146 N 7.38 0.33 -0.24 1.29 0.11 -1.94 -3.20 132.00 135.72 3dh1 h PRO 146 Ca -0.04 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 3dh1 h PRO 146 Cb 0.97 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.96 3dh1 h PRO 146 CO 0.39 0.22 -0.10 0.09 -0.21 0.00 0.00 178.00 178.39 3dh1 n ASN 147 N -4.99 2.72 -3.66 -2.05 3.02 -1.26 -4.85 115.26 104.20 3dh1 n ASN 147 Ca 0.03 -3.51 -0.29 0.00 -0.03 0.00 0.00 54.58 50.77 3dh1 n ASN 147 Cb 0.14 -0.58 -0.15 0.00 -0.61 0.00 0.00 39.78 38.59 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 -3.10 0.61 0.00 3.41 -4.23 -1.21 -5.10 115.64 106.03 3dh1 s THR 148 Ca 0.42 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 3dh1 s THR 148 Cb 0.37 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.74 3dh1 s THR 148 CO 0.02 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 3dh1 n GLY 149 N 4.75 0.34 3.22 3.99 0.00 -1.26 -4.80 105.19 111.43 3dh1 n GLY 149 Ca -0.01 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 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 0.98 0.61 1.61 0.52 -0.86 -4.97 118.95 116.83 3dh1 s ARG 150 Ca 0.00 -1.03 -0.16 0.00 -0.52 0.00 0.00 55.73 54.02 3dh1 s ARG 150 Cb 0.00 -1.10 -0.03 0.00 0.52 0.00 0.00 34.95 34.34 3dh1 s ARG 150 CO 0.00 0.25 1.09 -1.25 0.02 0.00 0.00 175.30 175.41 3dh1 s PRO 151 N -1.76 3.13 0.25 3.54 0.04 -1.26 -4.53 135.00 134.41 3dh1 s PRO 151 Ca 0.02 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.44 3dh1 s PRO 151 Cb -0.10 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3dh1 s PRO 151 CO 0.03 -0.98 0.03 -0.59 0.04 0.00 0.00 177.00 175.53 3dh1 s PHE 152 N -2.28 1.60 0.03 0.56 -0.12 0.01 -4.92 117.98 112.87 3dh1 s PHE 152 Ca 0.67 -0.99 -0.01 0.00 -0.05 0.00 0.00 56.93 56.55 3dh1 s PHE 152 Cb -0.19 -0.95 -0.04 0.00 -0.63 0.00 0.00 43.02 41.21 3dh1 s PHE 152 CO 0.36 -0.10 0.19 -1.14 -0.05 0.00 0.00 175.22 174.48 3dh1 s GLN 153 N -3.91 3.40 0.04 1.99 2.00 -1.00 -4.42 119.66 117.75 3dh1 s GLN 153 Ca 0.32 -0.41 0.06 0.00 -2.00 0.00 0.00 55.36 53.32 3dh1 s GLN 153 Cb 0.07 -3.04 -0.02 0.00 0.80 0.00 0.00 33.01 30.82 3dh1 s GLN 153 CO 0.11 0.63 -0.17 0.00 -0.50 0.00 0.00 175.29 175.35 3dh1 s ILE 155 N -0.77 2.17 0.86 0.00 1.01 -0.43 -4.98 121.20 119.06 3dh1 s ILE 155 Ca 0.05 -3.36 -0.12 0.00 0.00 0.00 0.00 60.65 57.22 3dh1 s ILE 155 Cb -0.08 -2.48 0.11 0.00 0.01 0.00 0.00 42.46 40.01 3dh1 s ILE 155 CO 0.01 -0.93 1.11 -2.16 0.00 0.00 0.00 174.94 172.98 3dh1 s PRO 156 N -0.45 1.57 0.00 2.79 0.04 -1.26 -1.77 135.00 135.92 3dh1 s PRO 156 Ca 0.21 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.74 3dh1 s PRO 156 Cb -0.16 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3dh1 s PRO 156 CO -0.07 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.44 3dh1 n GLY 157 N -2.06 0.50 3.62 0.56 0.00 0.03 -4.85 105.19 103.00 3dh1 n GLY 157 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.21 1.75 -1.61 1.61 5.04 -0.93 -2.53 117.35 118.46 3dh1 s TYR 158 Ca 0.00 0.44 -0.16 0.00 -2.44 0.00 0.00 57.07 54.91 3dh1 s TYR 158 Cb 0.00 -4.04 0.12 0.00 0.35 0.00 0.00 41.96 38.39 3dh1 s TYR 158 CO 0.00 -3.48 0.90 0.54 -1.34 0.00 0.00 175.55 172.16 3dh1 n ARG 159 N 8.05 -4.43 -0.33 4.97 1.74 -1.26 -4.22 116.66 121.18 3dh1 n ARG 159 Ca 0.22 0.49 0.12 0.00 -0.77 0.00 0.00 57.85 57.92 3dh1 n ARG 159 Cb 0.45 -5.32 0.31 0.00 -1.02 0.00 0.00 32.46 26.88 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 0.95 1.54 -0.01 7.54 0.00 -1.71 -2.74 119.26 124.83 3dh1 h ALA 160 Ca -0.58 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.44 3dh1 h ALA 160 Cb 1.38 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3dh1 h ALA 160 CO 0.72 -0.16 -0.04 0.93 0.00 0.00 0.00 179.25 180.70 3dh1 h GLU 161 N 0.62 -0.07 -0.62 0.00 5.08 -1.90 0.28 114.58 117.98 3dh1 h GLU 161 Ca 0.56 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.91 3dh1 h GLU 161 Cb 0.93 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 3dh1 h GLU 161 CO -0.42 -0.05 0.33 0.93 -1.00 0.00 0.00 179.01 178.80 3dh1 h GLU 162 N -0.07 0.86 -0.38 2.33 5.08 -1.94 -0.40 114.58 120.06 3dh1 h GLU 162 Ca 0.02 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3dh1 h GLU 162 Cb 0.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3dh1 h GLU 162 CO -0.05 0.66 0.23 0.00 -1.00 0.00 0.00 179.01 178.85 3dh1 h ALA 163 N 1.16 0.48 -0.19 3.43 0.00 -1.07 -1.35 119.26 121.71 3dh1 h ALA 163 Ca 0.22 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3dh1 h ALA 163 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3dh1 h ALA 163 CO -0.03 -0.10 -0.34 -0.39 0.00 0.00 0.00 179.25 178.38 3dh1 h VAL 164 N 0.47 1.29 -0.96 0.00 -1.51 -0.34 -2.62 116.25 112.58 3dh1 h VAL 164 Ca 0.15 -1.42 0.03 0.00 -1.23 0.00 0.00 66.70 64.23 3dh1 h VAL 164 Cb -0.01 1.52 -0.05 0.00 -2.13 0.00 0.00 31.29 30.62 3dh1 h VAL 164 CO -0.06 0.44 0.63 -0.08 -1.23 0.00 0.00 177.57 177.26 3dh1 h GLU 165 N 0.35 1.20 -0.00 5.19 4.81 -0.61 0.42 114.58 125.94 3dh1 h GLU 165 Ca 0.04 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3dh1 h GLU 165 Cb 0.77 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3dh1 h GLU 165 CO 0.06 0.80 -0.00 0.52 -0.73 0.00 0.00 179.01 179.66 3dh1 h MET 166 N 1.24 0.01 -0.82 1.92 2.86 -1.09 -2.14 114.93 116.91 3dh1 h MET 166 Ca 0.37 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.09 3dh1 h MET 166 Cb -0.05 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.54 3dh1 h MET 166 CO -0.10 0.35 0.48 -0.07 1.06 0.00 0.00 176.91 178.63 3dh1 h LEU 167 N -0.34 0.70 -0.42 1.22 3.38 -1.25 -0.89 115.31 117.72 3dh1 h LEU 167 Ca 0.00 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3dh1 h LEU 167 Cb 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3dh1 h LEU 167 CO 0.00 0.41 0.08 0.11 0.09 0.00 0.00 178.44 179.13 3dh1 h LYS 168 N 0.82 0.68 -0.46 1.13 1.57 -0.85 -1.32 116.57 118.14 3dh1 h LYS 168 Ca 0.39 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3dh1 h LYS 168 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3dh1 h LYS 168 CO -0.23 0.71 0.05 0.00 -0.57 0.00 0.00 179.45 179.41 3dh1 h THR 169 N 0.54 1.22 -0.34 -0.16 1.03 -0.93 -2.47 112.91 111.80 3dh1 h THR 169 Ca 0.13 -0.85 -0.09 0.00 -0.01 0.00 0.00 66.41 65.59 3dh1 h THR 169 Cb 0.35 0.82 -0.02 0.00 -1.07 0.00 0.00 68.15 68.23 3dh1 h THR 169 CO 0.01 0.30 -0.17 0.15 -0.01 0.00 0.00 175.52 175.79 3dh1 h PHE 170 N 0.68 0.69 0.00 0.00 3.57 -0.75 -2.85 116.94 118.29 3dh1 h PHE 170 Ca 0.15 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3dh1 h PHE 170 Cb 0.34 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3dh1 h PHE 170 CO 0.02 0.76 0.00 0.66 -2.23 0.00 0.00 178.31 177.52 3dh1 n TYR 171 N -4.15 0.00 -2.51 0.41 0.53 -0.54 -3.56 117.16 107.35 3dh1 n TYR 171 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.47 3dh1 n TYR 171 Cb 0.38 0.00 0.01 0.00 -1.03 0.00 0.00 39.34 38.70 3dh1 n TYR 171 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 3dh1 n LYS 172 N -0.79 4.53 0.00 -0.72 5.02 -1.08 -5.10 118.16 120.02 3dh1 n LYS 172 Ca 0.10 -4.07 0.00 0.00 -2.02 0.00 0.00 58.31 52.32 3dh1 n LYS 172 Cb 0.05 -2.63 0.00 0.00 -0.02 0.00 0.00 35.03 32.43 3dh1 n LYS 172 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82