#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tf3 s LYS 11 N 0.00 3.37 -0.27 3.17 2.20 -1.26 -4.95 119.74 122.00 1tf3 s LYS 11 Ca 0.00 -0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 54.53 1tf3 s LYS 11 Cb 0.00 -5.06 -0.04 0.00 -1.51 0.00 0.00 37.83 31.22 1tf3 s LYS 11 CO 0.00 -2.34 2.12 1.03 -0.36 0.00 0.00 175.35 175.81 1tf3 s ARG 12 N 5.41 3.11 0.08 4.03 3.00 -1.26 -4.38 118.95 128.95 1tf3 s ARG 12 Ca 0.47 1.83 -0.31 0.00 0.00 0.00 0.00 55.73 57.73 1tf3 s ARG 12 Cb -0.03 -4.34 -0.06 0.00 0.00 0.00 0.00 34.95 30.52 1tf3 s ARG 12 CO -0.03 -2.12 1.22 0.71 0.00 0.00 0.00 175.30 175.08 1tf3 s TYR 13 N 8.20 3.42 0.09 -0.53 2.02 -1.26 -4.66 117.35 124.63 1tf3 s TYR 13 Ca 0.95 1.28 -0.09 0.00 -0.37 0.00 0.00 57.07 58.84 1tf3 s TYR 13 Cb -0.29 -3.45 -0.06 0.00 -0.40 0.00 0.00 41.96 37.76 1tf3 s TYR 13 CO 0.34 -1.38 0.40 0.42 -1.57 0.00 0.00 175.55 173.77 1tf3 s ILE 14 N 0.92 5.10 0.14 2.71 1.01 -1.26 -1.27 121.20 128.53 1tf3 s ILE 14 Ca 0.59 0.42 -0.33 0.00 0.00 0.00 0.00 60.65 61.32 1tf3 s ILE 14 Cb -0.31 -3.64 -0.13 0.00 0.01 0.00 0.00 42.46 38.39 1tf3 s ILE 14 CO 0.30 0.26 1.65 0.00 0.00 0.00 0.00 174.94 177.15 1tf3 h SER 16 N 6.59 -0.09 0.00 0.00 0.02 -1.97 -2.72 113.55 115.38 1tf3 h SER 16 Ca -0.45 0.23 -0.62 0.00 -0.84 0.00 0.00 61.79 60.12 1tf3 h SER 16 Cb 1.25 0.33 0.01 0.00 0.14 0.00 0.00 62.40 64.13 1tf3 h SER 16 CO 0.91 -0.27 3.14 0.49 -1.14 0.00 0.00 176.83 179.96 1tf3 n PHE 17 N -5.31 2.42 0.00 3.45 3.72 -1.26 -4.85 117.46 115.63 1tf3 n PHE 17 Ca 0.25 -2.61 0.00 0.00 -0.05 0.00 0.00 57.45 55.04 1tf3 n PHE 17 Cb 0.82 -2.21 0.00 0.00 -0.94 0.00 0.00 39.48 37.15 1tf3 n PHE 17 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1tf3 n ALA 18 N 5.06 0.00 -0.38 4.37 0.00 -1.03 -0.32 120.51 128.21 1tf3 n ALA 18 Ca 0.59 0.00 0.32 0.00 0.00 0.00 0.00 53.44 54.35 1tf3 n ALA 18 Cb 0.28 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.32 1tf3 n ALA 18 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1tf3 h ASP 19 N 0.00 0.34 -0.93 0.00 5.19 -1.88 0.12 116.42 119.25 1tf3 h ASP 19 Ca 0.00 0.18 0.18 0.00 -0.62 0.00 0.00 57.03 56.78 1tf3 h ASP 19 Cb 0.00 0.16 -0.08 0.00 0.18 0.00 0.00 39.33 39.59 1tf3 h ASP 19 CO 0.00 -0.23 0.60 0.00 -3.12 0.00 0.00 179.24 176.49 1tf3 n GLY 21 N -1.44 0.59 3.74 0.00 0.00 0.40 -4.98 105.19 103.50 1tf3 n GLY 21 Ca 0.20 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1tf3 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tf3 s ALA 22 N -1.67 3.29 -0.10 4.61 0.00 -1.26 -4.94 121.76 121.69 1tf3 s ALA 22 Ca 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 1tf3 s ALA 22 Cb 0.00 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.92 1tf3 s ALA 22 CO 0.00 0.07 0.28 0.00 0.00 0.00 0.00 175.76 176.11 1tf3 s ALA 23 N -0.46 -0.69 0.00 0.00 0.00 -1.26 -0.40 121.76 118.95 1tf3 s ALA 23 Ca 0.44 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1tf3 s ALA 23 Cb -0.24 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1tf3 s ALA 23 CO 0.30 -0.13 0.00 0.66 0.00 0.00 0.00 175.76 176.59 1tf3 n TYR 24 N 2.89 0.00 0.00 0.00 4.01 -0.40 -4.90 117.16 118.76 1tf3 n TYR 24 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1tf3 n TYR 24 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1tf3 n TYR 24 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1tf3 n ASN 25 N 0.00 0.00 -4.60 7.72 4.05 -1.25 -4.77 115.26 116.41 1tf3 n ASN 25 Ca 0.00 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.60 1tf3 n ASN 25 Cb 0.00 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 40.99 1tf3 n ASN 25 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1tf3 s LYS 26 N 0.00 3.59 0.20 1.20 -0.14 -1.26 -4.67 119.74 118.66 1tf3 s LYS 26 Ca 0.00 0.96 -0.18 0.00 -1.36 0.00 0.00 55.97 55.38 1tf3 s LYS 26 Cb 0.00 -4.02 0.17 0.00 -1.68 0.00 0.00 37.83 32.30 1tf3 s LYS 26 CO 0.00 -1.54 1.59 -0.97 -0.76 0.00 0.00 175.35 173.67 1tf3 h ASN 27 N 10.61 -1.02 -0.87 2.83 -0.73 -1.99 0.77 115.58 125.18 1tf3 h ASN 27 Ca -0.27 0.22 0.13 0.00 1.87 0.00 0.00 56.30 58.25 1tf3 h ASN 27 Cb 1.10 0.54 -0.09 0.00 0.27 0.00 0.00 38.32 40.15 1tf3 h ASN 27 CO 1.08 -0.28 0.48 4.11 -0.37 0.00 0.00 177.43 182.45 1tf3 h TRP 28 N -0.12 0.85 -0.16 0.67 5.08 -1.92 0.13 115.95 120.49 1tf3 h TRP 28 Ca 0.26 0.03 -0.04 0.00 1.08 0.00 0.00 58.89 60.22 1tf3 h TRP 28 Cb 0.54 -0.25 -0.00 0.00 -3.00 0.00 0.00 29.16 26.45 1tf3 h TRP 28 CO -0.62 0.26 -0.07 -0.22 -1.28 0.00 0.00 178.44 176.52 1tf3 h LYS 29 N 0.72 0.33 -0.24 0.12 3.11 -1.26 0.15 116.57 119.49 1tf3 h LYS 29 Ca 0.45 -0.14 -0.03 0.00 -2.81 0.00 0.00 60.65 58.13 1tf3 h LYS 29 Cb 0.56 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.77 1tf3 h LYS 29 CO -0.32 0.63 0.04 1.25 -2.81 0.00 0.00 179.45 178.24 1tf3 h LEU 30 N 0.01 0.39 -0.50 5.20 6.46 -0.52 0.04 115.31 126.38 1tf3 h LEU 30 Ca 0.04 -0.26 0.04 0.00 -0.12 0.00 0.00 57.88 57.58 1tf3 h LEU 30 Cb 0.53 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1tf3 h LEU 30 CO 0.02 0.55 0.27 1.56 -0.62 0.00 0.00 178.44 180.21 1tf3 h GLN 31 N 0.21 0.50 0.11 1.25 7.50 -0.75 0.69 115.11 124.63 1tf3 h GLN 31 Ca 0.07 -0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.21 1tf3 h GLN 31 Cb 0.33 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.71 1tf3 h GLN 31 CO 0.00 0.33 -0.21 0.00 -1.50 0.00 0.00 178.83 177.46 1tf3 h ALA 32 N 1.26 -0.35 -0.42 3.87 0.00 -0.43 -1.60 119.26 121.59 1tf3 h ALA 32 Ca 0.22 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1tf3 h ALA 32 Cb 0.11 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1tf3 h ALA 32 CO -0.14 -0.74 -0.26 1.25 0.00 0.00 0.00 179.25 179.36 1tf3 h HIS 33 N -0.39 -0.70 -0.06 0.00 -0.00 -0.42 0.11 115.15 113.68 1tf3 h HIS 33 Ca 0.03 0.05 0.02 0.00 -0.00 0.00 0.00 60.37 60.47 1tf3 h HIS 33 Cb 0.41 0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 28.20 1tf3 h HIS 33 CO -0.20 -0.34 0.26 -0.07 -0.00 0.00 0.00 177.93 177.58 1tf3 h LEU 34 N -0.19 0.00 -1.44 0.26 3.38 -0.17 -2.04 115.31 115.12 1tf3 h LEU 34 Ca 0.19 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.29 1tf3 h LEU 34 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1tf3 h LEU 34 CO -0.53 0.00 0.52 0.77 0.09 0.00 0.00 178.44 179.29 1tf3 h SER 35 N 0.00 0.54 -0.59 -0.43 4.64 -0.03 0.11 113.55 117.79 1tf3 h SER 35 Ca 0.03 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1tf3 h SER 35 Cb 0.55 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1tf3 h SER 35 CO -0.00 0.30 0.27 0.11 -0.87 0.00 0.00 176.83 176.64 1tf3 h LYS 36 N 0.58 0.88 0.07 4.77 1.57 -1.53 0.30 116.57 123.21 1tf3 h LYS 36 Ca 0.38 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.84 1tf3 h LYS 36 Cb 0.66 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1tf3 h LYS 36 CO -0.14 0.70 -1.00 0.45 -0.57 0.00 0.00 179.45 178.89 1tf3 h HIS 37 N 0.88 0.25 0.00 -1.35 3.86 -1.38 -3.40 115.15 114.01 1tf3 h HIS 37 Ca 0.21 -0.18 -0.24 0.00 -1.16 0.00 0.00 60.37 59.00 1tf3 h HIS 37 Cb 0.13 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 1tf3 h HIS 37 CO 0.01 1.39 -1.46 1.79 0.86 0.00 0.00 177.93 180.52 1tf3 h THR 38 N -0.63 0.93 0.00 2.45 1.35 -0.86 -3.48 112.91 112.67 1tf3 h THR 38 Ca -0.23 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 1tf3 h THR 38 Cb 1.47 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 1tf3 h THR 38 CO -0.01 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 1tf3 n GLY 39 N 1.47 0.55 3.80 5.82 0.00 0.10 -5.03 105.19 111.91 1tf3 n GLY 39 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1tf3 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tf3 s GLU 40 N -0.08 4.16 -0.48 1.61 2.02 -1.26 -5.02 118.70 119.66 1tf3 s GLU 40 Ca 0.00 1.26 0.05 0.00 0.02 0.00 0.00 54.97 56.31 1tf3 s GLU 40 Cb 0.00 -2.29 0.20 0.00 0.10 0.00 0.00 34.13 32.13 1tf3 s GLU 40 CO 0.00 -0.10 0.45 1.63 0.02 0.00 0.00 175.26 177.26 1tf3 n LYS 41 N -0.48 0.84 -0.04 1.61 5.02 -1.26 -4.39 118.16 119.46 1tf3 n LYS 41 Ca 0.07 -3.57 0.24 0.00 -2.02 0.00 0.00 58.31 53.03 1tf3 n LYS 41 Cb 0.52 -1.73 0.65 0.00 -0.02 0.00 0.00 35.03 34.45 1tf3 n LYS 41 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1tf3 h PRO 42 N 5.07 0.00 -3.25 1.97 0.11 -1.82 -3.34 132.00 130.74 1tf3 h PRO 42 Ca 0.19 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.63 1tf3 h PRO 42 Cb 0.85 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.58 1tf3 h PRO 42 CO 0.50 0.00 -0.30 -0.06 -0.21 0.00 0.00 178.00 177.93 1tf3 s PHE 43 N -4.57 3.73 0.47 0.65 0.08 0.61 -5.00 117.98 113.95 1tf3 s PHE 43 Ca -0.04 -3.13 -0.21 0.00 0.12 0.00 0.00 56.93 53.66 1tf3 s PHE 43 Cb 0.15 -3.03 -0.08 0.00 -0.57 0.00 0.00 43.02 39.49 1tf3 s PHE 43 CO 0.53 -0.67 1.06 -1.25 -0.10 0.00 0.00 175.22 174.79 1tf3 s PRO 44 N -1.29 3.85 0.25 0.24 0.04 -1.25 -0.50 135.00 136.34 1tf3 s PRO 44 Ca 0.26 1.46 0.14 0.00 0.04 0.00 0.00 61.00 62.90 1tf3 s PRO 44 Cb -0.08 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.25 1tf3 s PRO 44 CO -0.13 -0.40 1.38 0.00 0.04 0.00 0.00 177.00 177.89 1tf3 n LYS 46 N -3.21 0.00 -1.47 0.00 4.76 -1.26 -4.89 118.16 112.09 1tf3 n LYS 46 Ca 0.01 0.00 -0.51 0.00 -2.87 0.00 0.00 58.31 54.94 1tf3 n LYS 46 Cb 0.76 -0.32 -0.04 0.00 -1.84 0.00 0.00 35.03 33.58 1tf3 n LYS 46 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1tf3 n GLU 47 N 0.00 0.28 -1.64 1.97 1.02 -1.26 -4.64 120.64 116.38 1tf3 n GLU 47 Ca 0.00 0.10 -0.47 0.00 -0.02 0.00 0.00 57.16 56.77 1tf3 n GLU 47 Cb 0.00 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 1tf3 n GLU 47 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1tf3 n GLU 48 N 1.22 1.72 0.00 3.49 4.71 -1.26 -1.65 120.64 128.87 1tf3 n GLU 48 Ca 0.17 0.62 0.00 0.00 -0.01 0.00 0.00 57.16 57.94 1tf3 n GLU 48 Cb 0.21 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.38 1tf3 n GLU 48 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1tf3 n GLY 49 N 2.51 1.47 1.99 0.62 0.00 -1.26 -4.61 105.19 105.92 1tf3 n GLY 49 Ca 0.15 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1tf3 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tf3 n GLU 51 N 2.45 3.88 -1.17 0.00 2.13 -0.66 -4.00 120.64 123.28 1tf3 n GLU 51 Ca 0.36 -2.55 -0.30 0.00 0.66 0.00 0.00 57.16 55.33 1tf3 n GLU 51 Cb 0.81 -2.79 0.13 0.00 0.27 0.00 0.00 31.44 29.87 1tf3 n GLU 51 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1tf3 s LYS 52 N 1.38 1.38 -0.28 5.31 -0.14 -1.26 -4.79 119.74 121.33 1tf3 s LYS 52 Ca 0.64 0.93 0.01 0.00 -1.36 0.00 0.00 55.97 56.19 1tf3 s LYS 52 Cb 0.18 -1.81 0.08 0.00 -1.68 0.00 0.00 37.83 34.60 1tf3 s LYS 52 CO -0.07 -2.19 0.02 0.20 -0.76 0.00 0.00 175.35 172.56 1tf3 s GLY 53 N -3.35 1.37 0.07 -3.33 0.00 -1.26 -0.62 107.32 100.19 1tf3 s GLY 53 Ca 0.63 -1.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.60 1tf3 s GLY 53 CO 0.57 1.16 0.24 -1.36 0.00 0.00 0.00 173.10 173.72 1tf3 s PHE 54 N 1.35 3.52 -1.33 1.90 0.08 0.34 -4.93 117.98 118.91 1tf3 s PHE 54 Ca 0.04 0.34 0.26 0.00 0.12 0.00 0.00 56.93 57.69 1tf3 s PHE 54 Cb -0.18 -1.83 0.69 0.00 -0.57 0.00 0.00 43.02 41.12 1tf3 s PHE 54 CO -0.13 0.57 1.53 0.25 -0.10 0.00 0.00 175.22 177.34 1tf3 n THR 55 N 0.37 0.00 -3.70 0.64 -2.24 -1.26 -0.28 114.28 107.81 1tf3 n THR 55 Ca -0.05 -0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1tf3 n THR 55 Cb 0.51 0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.91 1tf3 n THR 55 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1tf3 s SER 56 N -2.77 -0.30 0.29 3.42 1.04 -1.26 -3.88 113.70 110.24 1tf3 s SER 56 Ca 0.18 0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.78 1tf3 s SER 56 Cb 0.18 0.37 0.46 0.00 0.10 0.00 0.00 66.02 67.14 1tf3 s SER 56 CO 0.61 -0.52 1.91 0.25 0.98 0.00 0.00 173.24 176.47 1tf3 h LEU 57 N 3.54 0.98 -0.23 2.42 5.85 -1.93 -0.56 115.31 125.38 1tf3 h LEU 57 Ca -0.29 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1tf3 h LEU 57 Cb 1.17 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1tf3 h LEU 57 CO 0.41 0.64 0.11 1.12 -0.34 0.00 0.00 178.44 180.37 1tf3 h HIS 58 N 1.11 0.33 -0.41 1.25 2.07 -1.98 0.27 115.15 117.79 1tf3 h HIS 58 Ca 0.39 -0.02 0.03 0.00 -2.85 0.00 0.00 60.37 57.93 1tf3 h HIS 58 Cb 0.13 -0.10 -0.03 0.00 2.57 0.00 0.00 27.41 29.97 1tf3 h HIS 58 CO -0.00 0.33 0.21 0.45 -3.07 0.00 0.00 177.93 175.85 1tf3 h HIS 59 N 0.24 0.38 -0.83 6.12 3.86 -1.79 -1.21 115.15 121.92 1tf3 h HIS 59 Ca 0.08 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.39 1tf3 h HIS 59 Cb 0.13 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.41 1tf3 h HIS 59 CO -0.02 0.20 0.49 1.25 0.86 0.00 0.00 177.93 180.71 1tf3 h LEU 60 N 0.42 0.72 0.22 2.43 5.85 -0.70 0.72 115.31 124.97 1tf3 h LEU 60 Ca 0.17 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1tf3 h LEU 60 Cb 0.07 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1tf3 h LEU 60 CO -0.12 0.43 -0.17 0.74 -0.34 0.00 0.00 178.44 178.98 1tf3 h THR 61 N 0.84 0.63 -0.74 1.05 2.02 0.52 0.88 112.91 118.11 1tf3 h THR 61 Ca 0.39 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.52 1tf3 h THR 61 Cb 0.31 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1tf3 h THR 61 CO -0.22 0.00 0.27 0.08 0.37 0.00 0.00 175.52 176.02 1tf3 h ARG 62 N -0.40 1.11 -0.83 6.66 0.11 -0.72 -2.03 114.38 118.27 1tf3 h ARG 62 Ca -0.01 -0.21 0.09 0.00 0.10 0.00 0.00 59.98 59.95 1tf3 h ARG 62 Cb 0.36 -0.18 -0.07 0.00 1.11 0.00 0.00 29.97 31.19 1tf3 h ARG 62 CO -0.01 0.91 0.48 1.25 0.10 0.00 0.00 179.97 182.70 1tf3 h HIS 63 N 1.08 0.87 0.00 4.08 2.76 -0.46 -0.40 115.15 123.08 1tf3 h HIS 63 Ca 0.24 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 1tf3 h HIS 63 Cb 0.24 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1tf3 h HIS 63 CO 0.02 0.36 0.23 0.77 -1.30 0.00 0.00 177.93 178.01 1tf3 h SER 64 N 0.81 0.00 -0.66 3.26 0.02 -0.07 0.82 113.55 117.73 1tf3 h SER 64 Ca 0.40 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.42 1tf3 h SER 64 Cb 0.35 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1tf3 h SER 64 CO -0.24 0.00 0.44 -0.07 -1.14 0.00 0.00 176.83 175.82 1tf3 h LEU 65 N 0.00 0.54 -0.91 5.07 3.38 -1.06 -0.04 115.31 122.29 1tf3 h LEU 65 Ca 0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1tf3 h LEU 65 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1tf3 h LEU 65 CO 0.00 0.34 -0.22 0.71 0.09 0.00 0.00 178.44 179.37 1tf3 h THR 66 N 0.61 1.26 0.01 0.22 1.35 -0.99 0.42 112.91 115.80 1tf3 h THR 66 Ca 0.29 -1.24 -0.07 0.00 -0.55 0.00 0.00 66.41 64.85 1tf3 h THR 66 Cb 0.35 1.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1tf3 h THR 66 CO -0.09 0.40 -0.28 0.45 -0.25 0.00 0.00 175.52 175.75 1tf3 h HIS 67 N 0.49 0.25 0.00 4.73 3.86 -1.41 -3.22 115.15 119.85 1tf3 h HIS 67 Ca 0.07 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1tf3 h HIS 67 Cb 0.65 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1tf3 h HIS 67 CO 0.02 0.99 -0.22 1.79 0.86 0.00 0.00 177.93 181.37 1tf3 h THR 68 N -0.55 0.78 0.00 2.45 1.35 -1.02 -3.46 112.91 112.45 1tf3 h THR 68 Ca -0.04 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1tf3 h THR 68 Cb 1.07 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1tf3 h THR 68 CO 0.05 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 1tf3 n GLY 69 N -0.46 0.38 2.01 5.82 0.00 0.13 -4.95 105.19 108.12 1tf3 n GLY 69 Ca -0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 1tf3 n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tf3 n GLU 70 N -1.84 1.96 -1.81 1.61 -0.58 0.04 -4.71 120.64 115.31 1tf3 n GLU 70 Ca 0.00 -1.05 -0.42 0.00 -0.42 0.00 0.00 57.16 55.27 1tf3 n GLU 70 Cb 0.29 -1.94 -0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1tf3 n GLU 70 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1tf3 n LYS 71 N 2.27 3.00 -0.02 3.49 4.81 -1.26 -4.58 118.16 125.87 1tf3 n LYS 71 Ca 0.40 -2.73 0.01 0.00 -0.87 0.00 0.00 58.31 55.12 1tf3 n LYS 71 Cb 0.85 -3.22 0.02 0.00 0.02 0.00 0.00 35.03 32.70 1tf3 n LYS 71 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1tf3 n ASN 72 N 5.67 1.75 -4.58 3.14 3.02 -1.19 -4.57 115.26 118.50 1tf3 n ASN 72 Ca 0.51 -1.64 -0.38 0.00 -0.03 0.00 0.00 54.58 53.03 1tf3 n ASN 72 Cb 0.38 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1tf3 n ASN 72 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1tf3 s PHE 73 N -0.67 2.50 -0.27 3.10 0.08 -0.61 -4.81 117.98 117.29 1tf3 s PHE 73 Ca 0.03 -0.90 -0.29 0.00 0.12 0.00 0.00 56.93 55.89 1tf3 s PHE 73 Cb 0.02 -4.53 0.00 0.00 -0.57 0.00 0.00 43.02 37.94 1tf3 s PHE 73 CO 0.02 -1.68 1.18 0.99 -0.10 0.00 0.00 175.22 175.64 1tf3 s THR 74 N 6.27 4.36 -0.14 0.64 2.01 -1.26 -0.50 115.64 127.01 1tf3 s THR 74 Ca 0.57 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.85 1tf3 s THR 74 Cb 0.02 -4.24 -0.08 0.00 0.01 0.00 0.00 72.50 68.21 1tf3 s THR 74 CO 0.06 -0.38 2.11 0.00 -0.69 0.00 0.00 174.62 175.72 1tf3 n ASP 76 N 9.73 3.18 -3.61 0.00 2.03 -1.26 -4.22 116.55 122.41 1tf3 n ASP 76 Ca 0.27 -2.75 -0.14 0.00 0.52 0.00 0.00 54.79 52.69 1tf3 n ASP 76 Cb 0.39 -1.38 -0.13 0.00 -0.72 0.00 0.00 41.12 39.28 1tf3 n ASP 76 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1tf3 s SER 77 N 4.29 0.58 0.27 1.67 0.15 -1.26 -5.10 113.70 114.29 1tf3 s SER 77 Ca 0.53 0.39 -0.29 0.00 0.70 0.00 0.00 55.95 57.28 1tf3 s SER 77 Cb 0.13 0.64 -0.14 0.00 -1.71 0.00 0.00 66.02 64.94 1tf3 s SER 77 CO 0.03 -0.26 1.11 0.47 1.20 0.00 0.00 173.24 175.79 1tf3 n ASP 78 N 5.34 1.62 0.00 5.45 9.92 -1.26 -2.00 116.55 135.62 1tf3 n ASP 78 Ca -0.06 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.38 1tf3 n ASP 78 Cb 0.50 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 1tf3 n ASP 78 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tf3 n GLY 79 N 1.41 1.53 2.01 0.44 0.00 -1.26 -4.64 105.19 104.68 1tf3 n GLY 79 Ca 0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1tf3 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tf3 n ASP 81 N 2.48 6.64 -4.69 0.00 8.00 -1.08 -4.33 116.55 123.58 1tf3 n ASP 81 Ca 0.37 -2.68 -0.42 0.00 0.71 0.00 0.00 54.79 52.78 1tf3 n ASP 81 Cb 0.83 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 1tf3 n ASP 81 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1tf3 s LEU 82 N -0.48 4.32 -0.36 0.64 1.43 -1.26 -4.68 118.68 118.29 1tf3 s LEU 82 Ca 0.65 2.10 -0.19 0.00 -1.03 0.00 0.00 54.13 55.66 1tf3 s LEU 82 Cb 0.28 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.94 1tf3 s LEU 82 CO -0.06 -0.69 0.55 -0.13 0.23 0.00 0.00 176.35 176.25 1tf3 s ARG 83 N 2.24 3.60 0.29 1.70 0.52 -1.26 -0.54 118.95 125.49 1tf3 s ARG 83 Ca 0.63 -0.13 0.06 0.00 -0.52 0.00 0.00 55.73 55.77 1tf3 s ARG 83 Cb -0.31 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.32 1tf3 s ARG 83 CO 0.26 -0.70 0.39 -0.06 0.02 0.00 0.00 175.30 175.21 1tf3 s PHE 84 N 2.50 3.25 0.19 -0.53 0.40 0.35 -4.83 117.98 119.32 1tf3 s PHE 84 Ca 0.20 -0.13 0.08 0.00 -0.60 0.00 0.00 56.93 56.48 1tf3 s PHE 84 Cb -0.15 -1.74 0.07 0.00 0.51 0.00 0.00 43.02 41.70 1tf3 s PHE 84 CO 0.14 0.25 1.44 1.79 0.70 0.00 0.00 175.22 179.54 1tf3 h THR 85 N 1.09 1.56 -4.05 0.64 1.35 -1.89 -1.60 112.91 110.00 1tf3 h THR 85 Ca -0.49 -2.72 -0.13 0.00 -0.55 0.00 0.00 66.41 62.52 1tf3 h THR 85 Cb 1.24 2.48 -0.17 0.00 -1.73 0.00 0.00 68.15 69.97 1tf3 h THR 85 CO 0.57 0.78 -0.63 0.42 -0.25 0.00 0.00 175.52 176.41 1tf3 s THR 86 N -3.19 0.17 0.21 6.82 -4.23 -1.26 -4.82 115.64 109.34 1tf3 s THR 86 Ca -0.01 -1.39 -0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1tf3 s THR 86 Cb 0.11 -1.06 0.15 0.00 1.34 0.00 0.00 72.50 73.04 1tf3 s THR 86 CO 0.80 -0.77 1.84 0.11 -0.54 0.00 0.00 174.62 176.06 1tf3 h LYS 87 N 3.61 0.80 -0.74 3.99 1.57 -1.94 -1.59 116.57 122.28 1tf3 h LYS 87 Ca -0.33 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1tf3 h LYS 87 Cb 1.17 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 1tf3 h LYS 87 CO 0.56 0.53 0.47 0.00 -0.57 0.00 0.00 179.45 180.43 1tf3 h ALA 88 N 1.32 0.97 -0.40 3.86 0.00 -1.98 0.22 119.26 123.25 1tf3 h ALA 88 Ca 0.29 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1tf3 h ALA 88 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1tf3 h ALA 88 CO -0.13 0.25 0.25 -0.91 0.00 0.00 0.00 179.25 178.72 1tf3 h ASN 89 N 0.91 0.43 -0.51 0.00 2.35 -1.81 0.18 115.58 117.13 1tf3 h ASN 89 Ca 0.30 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 56.10 1tf3 h ASN 89 Cb 0.02 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1tf3 h ASN 89 CO -0.11 0.31 0.22 -0.03 -1.65 0.00 0.00 177.43 176.17 1tf3 h MET 90 N 0.52 0.42 -0.28 0.81 4.05 -0.48 -0.27 114.93 119.69 1tf3 h MET 90 Ca 0.15 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 1tf3 h MET 90 Cb -0.04 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1tf3 h MET 90 CO -0.04 0.28 0.10 0.87 0.23 0.00 0.00 176.91 178.35 1tf3 h LYS 91 N 0.43 0.43 -0.33 0.39 1.79 -0.03 0.29 116.57 119.55 1tf3 h LYS 91 Ca 0.24 -0.08 0.05 0.00 -2.18 0.00 0.00 60.65 58.67 1tf3 h LYS 91 Cb 0.21 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 1tf3 h LYS 91 CO -0.21 0.47 0.05 0.87 -1.08 0.00 0.00 179.45 179.55 1tf3 h LYS 92 N 0.30 0.16 -0.09 3.15 1.57 -0.22 0.19 116.57 121.63 1tf3 h LYS 92 Ca 0.09 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1tf3 h LYS 92 Cb 0.21 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1tf3 h LYS 92 CO -0.01 0.10 -0.21 1.25 -0.57 0.00 0.00 179.45 180.02 1tf3 h HIS 93 N 0.16 -0.56 -0.39 -1.35 2.76 -0.81 0.15 115.15 115.11 1tf3 h HIS 93 Ca 0.15 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.42 1tf3 h HIS 93 Cb 0.18 0.26 -0.07 0.00 1.55 0.00 0.00 27.41 29.33 1tf3 h HIS 93 CO -0.19 -0.29 -0.01 0.35 -1.30 0.00 0.00 177.93 176.48 1tf3 h PHE 94 N -0.29 -0.05 -0.60 5.26 3.04 -0.12 0.29 116.94 124.47 1tf3 h PHE 94 Ca 0.09 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.13 1tf3 h PHE 94 Cb 0.42 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.95 1tf3 h PHE 94 CO -0.30 -0.09 0.29 -0.91 -2.02 0.00 0.00 178.31 175.29 1tf3 h ASN 95 N 0.09 0.39 0.86 0.41 2.35 -0.20 0.14 115.58 119.63 1tf3 h ASN 95 Ca 0.19 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.88 1tf3 h ASN 95 Cb 0.28 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1tf3 h ASN 95 CO -0.33 0.25 -0.53 0.03 -1.65 0.00 0.00 177.43 175.20 1tf3 h ARG 96 N 0.54 0.00 0.00 0.81 3.08 0.31 -3.35 114.38 115.77 1tf3 h ARG 96 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1tf3 h ARG 96 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1tf3 h ARG 96 CO -0.21 0.53 -0.04 1.19 -1.07 0.00 0.00 179.97 180.36 1tf3 n PHE 97 N -3.57 0.00 0.12 3.04 3.01 0.92 -4.68 117.46 116.31 1tf3 n PHE 97 Ca -0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 1tf3 n PHE 97 Cb 0.61 -0.02 0.08 0.00 -0.01 0.00 0.00 39.48 40.14 1tf3 n PHE 97 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1tf3 h HIS 98 N -0.04 0.00 -0.12 1.38 3.86 -1.01 0.68 115.15 119.91 1tf3 h HIS 98 Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 1tf3 h HIS 98 Cb 0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1tf3 h HIS 98 CO -0.02 0.66 -0.63 -0.97 0.86 0.00 0.00 177.93 177.83 1tf3 h ASN 99 N 0.00 0.49 0.11 2.45 -1.24 -1.10 -3.19 115.58 113.09 1tf3 h ASN 99 Ca -0.01 -0.29 -0.15 0.00 0.71 0.00 0.00 56.30 56.57 1tf3 h ASN 99 Cb 1.34 -0.14 0.02 0.00 0.73 0.00 0.00 38.32 40.27 1tf3 h ASN 99 CO 0.09 0.99 -0.65 0.16 -1.29 0.00 0.00 177.43 176.73 1tf3 h ILE 100 N 0.31 1.56 -0.01 2.57 3.07 -1.66 -3.51 117.51 119.84 1tf3 h ILE 100 Ca -0.01 -2.47 0.00 0.00 1.55 0.00 0.00 64.86 63.93 1tf3 h ILE 100 Cb 1.18 3.19 0.00 0.00 -0.27 0.00 0.00 36.82 40.92 1tf3 h ILE 100 CO 0.11 0.69 0.00 0.29 -1.05 0.00 0.00 178.15 178.19