#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtf n ARG 8 N 0.00 -2.57 -0.60 1.20 1.74 -1.26 -4.48 116.66 110.69 2jtf n ARG 8 Ca 0.00 2.23 -0.04 0.00 -0.77 0.00 0.00 57.85 59.27 2jtf n ARG 8 Cb 0.00 -5.64 -0.06 0.00 -1.02 0.00 0.00 32.46 25.74 2jtf n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2jtf n PRO 9 N -0.14 1.20 0.00 5.56 -0.04 -1.26 -3.53 135.00 136.79 2jtf n PRO 9 Ca 0.10 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 2jtf n PRO 9 Cb 0.39 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2jtf n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jtf n GLY 10 N 2.00 -1.39 3.51 0.55 0.00 -1.24 -3.81 105.19 104.81 2jtf n GLY 10 Ca 0.15 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 2jtf n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jtf n ILE 11 N -0.62 -0.01 0.89 -0.61 5.41 -0.63 -4.20 119.36 119.60 2jtf n ILE 11 Ca 0.00 -0.25 0.14 0.00 1.00 0.00 0.00 62.75 63.63 2jtf n ILE 11 Cb 0.00 -0.80 0.53 0.00 -0.71 0.00 0.00 39.64 38.67 2jtf n ILE 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2jtf n THR 12 N 7.20 0.16 -1.73 1.39 -1.04 -1.14 -2.99 114.28 116.13 2jtf n THR 12 Ca 0.61 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.05 62.39 2jtf n THR 12 Cb 0.15 -0.47 -0.05 0.00 -1.82 0.00 0.00 70.33 68.14 2jtf n THR 12 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2jtf n PHE 13 N -1.71 -0.24 -5.09 -1.42 7.35 -1.26 -4.99 117.46 110.09 2jtf n PHE 13 Ca 0.06 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.43 2jtf n PHE 13 Cb 0.37 -2.92 -0.15 0.00 0.35 0.00 0.00 39.48 37.13 2jtf n PHE 13 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2jtf s GLU 14 N -3.80 2.61 -0.03 -4.13 0.41 -1.26 -5.08 118.70 107.42 2jtf s GLU 14 Ca 0.00 -0.82 -0.30 0.00 -0.41 0.00 0.00 54.97 53.44 2jtf s GLU 14 Cb 0.00 -2.28 -0.05 0.00 -1.78 0.00 0.00 34.13 30.02 2jtf s GLU 14 CO 0.00 0.44 1.46 0.42 -0.49 0.00 0.00 175.26 177.10 2jtf s ILE 15 N -0.29 3.71 0.00 -1.63 1.01 -1.26 -1.36 121.20 121.38 2jtf s ILE 15 Ca 0.01 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.68 2jtf s ILE 15 Cb -0.13 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2jtf s ILE 15 CO 0.03 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2jtf n GLY 16 N 3.78 0.11 3.94 6.18 0.00 0.12 -5.01 105.19 114.32 2jtf n GLY 16 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2jtf n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtf s ALA 17 N -2.00 3.60 0.44 4.61 0.00 -0.46 -4.81 121.76 123.14 2jtf s ALA 17 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2jtf s ALA 17 Cb 0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 2jtf s ALA 17 CO 0.00 -0.47 0.65 1.03 0.00 0.00 0.00 175.76 176.97 2jtf s ARG 18 N -4.68 3.09 0.06 0.00 0.52 -1.26 -0.39 118.95 116.29 2jtf s ARG 18 Ca 0.49 -0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 55.15 2jtf s ARG 18 Cb -0.10 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 2jtf s ARG 18 CO 0.40 -0.23 0.07 -0.48 0.02 0.00 0.00 175.30 175.09 2jtf s LEU 19 N -4.52 1.98 -0.11 2.53 -0.00 0.48 -2.87 118.68 116.17 2jtf s LEU 19 Ca 0.48 -0.79 -0.20 0.00 -0.00 0.00 0.00 54.13 53.62 2jtf s LEU 19 Cb -0.10 0.57 -0.04 0.00 -0.00 0.00 0.00 46.19 46.63 2jtf s LEU 19 CO 0.37 -0.63 0.56 -1.61 -0.00 0.00 0.00 176.35 175.05 2jtf s GLU 20 N -3.66 4.36 0.02 1.48 2.02 -0.72 0.06 118.70 122.24 2jtf s GLU 20 Ca 0.04 0.60 0.01 0.00 0.02 0.00 0.00 54.97 55.64 2jtf s GLU 20 Cb 0.05 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.81 2jtf s GLU 20 CO -0.09 0.09 -0.05 0.00 0.02 0.00 0.00 175.26 175.22 2jtf s ALA 21 N 0.81 0.36 -0.04 5.21 0.00 0.49 0.77 121.76 129.37 2jtf s ALA 21 Ca 0.30 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 2jtf s ALA 21 Cb -0.16 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2jtf s ALA 21 CO 0.13 -0.00 0.36 -1.17 0.00 0.00 0.00 175.76 175.07 2jtf s LEU 22 N -0.89 4.43 0.33 0.00 0.20 0.10 -0.11 118.68 122.75 2jtf s LEU 22 Ca -0.06 0.84 0.03 0.00 0.69 0.00 0.00 54.13 55.63 2jtf s LEU 22 Cb -0.06 -2.49 -0.05 0.00 -0.43 0.00 0.00 46.19 43.16 2jtf s LEU 22 CO -0.00 0.30 0.09 1.51 -0.29 0.00 0.00 176.35 177.96 2jtf s ASP 23 N -0.85 2.22 0.57 3.68 -4.77 -0.24 -4.83 116.67 112.45 2jtf s ASP 23 Ca 0.22 -1.47 0.40 0.00 -3.30 0.00 0.00 52.55 48.40 2jtf s ASP 23 Cb -0.16 0.14 1.45 0.00 -1.09 0.00 0.00 42.92 43.26 2jtf s ASP 23 CO 0.11 -0.73 1.55 0.22 0.70 0.00 0.00 175.17 177.02 2jtf h TYR 24 N 2.08 0.00 -0.00 2.11 3.20 -1.98 1.44 116.97 123.82 2jtf h TYR 24 Ca -0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.48 2jtf h TYR 24 Cb 1.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2jtf h TYR 24 CO 0.82 0.00 -0.00 1.28 -1.64 0.00 0.00 178.16 178.62 2jtf n LEU 25 N -3.75 0.02 -1.89 2.82 7.99 -1.26 -4.85 117.00 116.08 2jtf n LEU 25 Ca 0.33 0.16 -0.07 0.00 -0.01 0.00 0.00 56.01 56.41 2jtf n LEU 25 Cb 1.66 -0.16 0.03 0.00 -0.11 0.00 0.00 43.42 44.83 2jtf n LEU 25 CO 0.36 0.00 0.05 0.00 -1.51 0.00 0.00 177.39 176.30 2jtf n GLN 26 N -1.15 -2.64 -5.12 3.23 3.00 0.49 -5.03 117.38 110.16 2jtf n GLN 26 Ca 0.18 0.32 -0.31 0.00 -0.01 0.00 0.00 57.00 57.19 2jtf n GLN 26 Cb 0.19 -3.79 -0.17 0.00 0.00 0.00 0.00 30.24 26.47 2jtf n GLN 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jtf s LYS 27 N -4.70 2.76 -0.94 -1.09 1.02 -0.91 -4.89 119.74 110.98 2jtf s LYS 27 Ca 0.04 -0.80 -0.16 0.00 0.02 0.00 0.00 55.97 55.07 2jtf s LYS 27 Cb -0.02 -2.13 0.18 0.00 -0.52 0.00 0.00 37.83 35.34 2jtf s LYS 27 CO 0.28 0.18 1.04 -1.58 -0.92 0.00 0.00 175.35 174.35 2jtf s TRP 28 N 0.33 3.48 0.35 3.18 0.52 -1.24 -1.08 118.94 124.48 2jtf s TRP 28 Ca -0.16 -1.79 0.09 0.00 0.02 0.00 0.00 56.10 54.26 2jtf s TRP 28 Cb -0.17 -4.09 -0.06 0.00 -1.15 0.00 0.00 33.47 27.99 2jtf s TRP 28 CO 0.08 -1.27 -0.08 1.52 0.02 0.00 0.00 176.95 177.22 2jtf s TYR 29 N 1.38 2.43 -0.54 -1.98 -0.85 0.85 -4.81 117.35 113.82 2jtf s TYR 29 Ca 0.29 -0.50 -0.28 0.00 -0.52 0.00 0.00 57.07 56.05 2jtf s TYR 29 Cb -0.07 -1.42 0.02 0.00 0.38 0.00 0.00 41.96 40.87 2jtf s TYR 29 CO -0.08 0.57 1.39 -2.14 -1.52 0.00 0.00 175.55 173.76 2jtf s PRO 30 N -3.63 3.37 0.60 -3.49 0.02 -1.26 -0.38 135.00 130.23 2jtf s PRO 30 Ca 0.33 0.50 0.01 0.00 0.02 0.00 0.00 61.00 61.86 2jtf s PRO 30 Cb 0.03 -4.10 0.06 0.00 0.02 0.00 0.00 34.50 30.51 2jtf s PRO 30 CO 0.17 -1.85 0.84 0.45 -0.33 0.00 0.00 177.00 176.27 2jtf s SER 31 N 4.17 5.02 0.03 2.53 0.15 0.11 -4.85 113.70 120.86 2jtf s SER 31 Ca 0.52 -0.13 0.08 0.00 0.70 0.00 0.00 55.95 57.12 2jtf s SER 31 Cb -0.11 -0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 63.57 2jtf s SER 31 CO 0.26 -1.34 -0.24 -0.13 1.20 0.00 0.00 173.24 172.99 2jtf s ARG 32 N -4.86 1.94 -0.27 5.44 0.52 -0.61 -0.39 118.95 120.71 2jtf s ARG 32 Ca 0.60 -1.04 -0.23 0.00 -0.52 0.00 0.00 55.73 54.54 2jtf s ARG 32 Cb -0.09 -2.05 -0.00 0.00 0.52 0.00 0.00 34.95 33.33 2jtf s ARG 32 CO 0.40 0.53 0.78 0.42 0.02 0.00 0.00 175.30 177.46 2jtf s ILE 33 N -0.80 4.84 -0.12 1.52 1.01 0.47 0.44 121.20 128.57 2jtf s ILE 33 Ca 0.12 1.35 0.15 0.00 0.00 0.00 0.00 60.65 62.27 2jtf s ILE 33 Cb -0.10 -4.10 -0.21 0.00 0.01 0.00 0.00 42.46 38.05 2jtf s ILE 33 CO 0.02 -0.13 0.14 1.21 0.00 0.00 0.00 174.94 176.18 2jtf n GLU 34 N 6.05 1.19 -3.62 2.79 4.07 0.11 0.15 120.64 131.38 2jtf n GLU 34 Ca 0.04 -0.05 -0.15 0.00 -0.06 0.00 0.00 57.16 56.94 2jtf n GLU 34 Cb 0.48 -1.40 -0.07 0.00 -0.06 0.00 0.00 31.44 30.39 2jtf n GLU 34 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2jtf s LYS 35 N -2.60 0.92 -0.06 5.31 2.20 -1.16 -4.76 119.74 119.59 2jtf s LYS 35 Ca -0.07 -0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.48 2jtf s LYS 35 Cb 0.06 0.42 0.01 0.00 -1.51 0.00 0.00 37.83 36.82 2jtf s LYS 35 CO 0.66 -0.30 -0.13 0.42 -0.36 0.00 0.00 175.35 175.64 2jtf s ILE 36 N -1.73 1.18 -0.59 5.43 1.01 -1.26 -0.06 121.20 125.17 2jtf s ILE 36 Ca -0.09 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2jtf s ILE 36 Cb -0.02 -1.06 0.15 0.00 0.01 0.00 0.00 42.46 41.54 2jtf s ILE 36 CO 0.04 0.36 0.36 -0.62 0.00 0.00 0.00 174.94 175.08 2jtf s ASP 37 N 0.54 4.67 0.00 3.58 2.15 0.12 -4.91 116.67 122.83 2jtf s ASP 37 Ca -0.13 -3.13 0.27 0.00 0.43 0.00 0.00 52.55 50.00 2jtf s ASP 37 Cb -0.15 -1.70 0.90 0.00 -0.30 0.00 0.00 42.92 41.67 2jtf s ASP 37 CO 0.04 -0.24 1.69 0.00 -0.17 0.00 0.00 175.17 176.48 2jtf n TYR 38 N 3.00 0.00 -0.09 -5.34 0.18 -1.26 0.78 117.16 114.44 2jtf n TYR 38 Ca 0.08 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.74 2jtf n TYR 38 Cb 0.34 -0.37 -0.05 0.00 -0.38 0.00 0.00 39.34 38.89 2jtf n TYR 38 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 2jtf h GLU 39 N 0.04 0.57 0.02 -3.48 5.08 -1.92 -3.14 114.58 111.75 2jtf h GLU 39 Ca 0.00 -0.26 -0.31 0.00 -1.00 0.00 0.00 59.36 57.79 2jtf h GLU 39 Cb 0.49 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 2jtf h GLU 39 CO 0.00 0.84 -1.77 -1.91 -1.00 0.00 0.00 179.01 175.17 2jtf n GLU 40 N -4.43 0.65 -0.76 2.33 2.13 -1.22 -5.00 120.64 114.35 2jtf n GLU 40 Ca -0.04 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.07 2jtf n GLU 40 Cb 0.38 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.31 2jtf n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jtf n GLY 41 N 1.63 0.91 3.31 8.31 0.00 0.13 -5.06 105.19 114.43 2jtf n GLY 41 Ca -0.20 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 2jtf n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtf s LYS 42 N -2.51 1.32 0.01 1.61 1.02 0.23 -3.69 119.74 117.74 2jtf s LYS 42 Ca 0.00 -1.68 -0.10 0.00 0.02 0.00 0.00 55.97 54.22 2jtf s LYS 42 Cb 0.00 -0.45 0.01 0.00 -0.52 0.00 0.00 37.83 36.87 2jtf s LYS 42 CO 0.00 -0.16 0.19 0.00 -0.92 0.00 0.00 175.35 174.46 2jtf s MET 43 N -3.92 0.58 -0.54 1.68 0.23 0.12 0.16 119.30 117.61 2jtf s MET 43 Ca 0.30 -0.42 -0.24 0.00 -1.03 0.00 0.00 55.69 54.31 2jtf s MET 43 Cb 0.07 0.25 0.04 0.00 -1.53 0.00 0.00 34.83 33.65 2jtf s MET 43 CO 0.09 -0.15 0.93 -1.17 -2.03 0.00 0.00 175.02 172.68 2jtf s LEU 44 N -1.57 4.14 0.17 0.18 1.98 0.91 -1.51 118.68 122.97 2jtf s LEU 44 Ca -0.12 -0.35 -0.06 0.00 -2.89 0.00 0.00 54.13 50.72 2jtf s LEU 44 Cb -0.05 -2.83 -0.06 0.00 0.66 0.00 0.00 46.19 43.91 2jtf s LEU 44 CO 0.01 -1.20 0.41 0.68 -1.89 0.00 0.00 176.35 174.36 2jtf s VAL 45 N 3.87 5.12 -0.30 1.68 -7.23 0.92 0.04 120.40 124.50 2jtf s VAL 45 Ca 0.30 0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.58 2jtf s VAL 45 Cb -0.13 -3.63 0.07 0.00 0.56 0.00 0.00 36.38 33.25 2jtf s VAL 45 CO 0.19 -0.00 -0.01 -1.38 -0.31 0.00 0.00 175.10 173.59 2jtf s HIS 46 N -1.71 3.38 0.62 2.82 -3.43 0.17 -0.79 115.29 116.35 2jtf s HIS 46 Ca 0.42 -2.27 -0.13 0.00 -0.80 0.00 0.00 55.06 52.28 2jtf s HIS 46 Cb -0.12 -2.30 -0.03 0.00 -1.43 0.00 0.00 32.58 28.71 2jtf s HIS 46 CO 0.24 -0.87 1.04 -0.06 -2.00 0.00 0.00 174.74 173.09 2jtf s PHE 47 N 1.13 3.19 -1.46 0.38 0.08 0.14 -1.58 117.98 119.86 2jtf s PHE 47 Ca -0.03 1.44 -0.13 0.00 0.12 0.00 0.00 56.93 58.34 2jtf s PHE 47 Cb -0.20 -2.89 0.04 0.00 -0.57 0.00 0.00 43.02 39.40 2jtf s PHE 47 CO -0.04 -0.99 2.30 -0.85 -0.10 0.00 0.00 175.22 175.54 2jtf n GLU 48 N -2.45 3.10 -2.42 0.44 0.28 -1.26 -4.55 120.64 113.78 2jtf n GLU 48 Ca 0.08 -2.67 -0.03 0.00 -0.16 0.00 0.00 57.16 54.38 2jtf n GLU 48 Cb 0.53 -3.16 -0.02 0.00 1.43 0.00 0.00 31.44 30.22 2jtf n GLU 48 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2jtf n ARG 49 N 5.39 -4.76 -0.51 3.44 1.74 -1.26 -5.07 116.66 115.62 2jtf n ARG 49 Ca 0.55 3.53 0.00 0.00 -0.77 0.00 0.00 57.85 61.15 2jtf n ARG 49 Cb 0.36 -4.75 0.00 0.00 -1.02 0.00 0.00 32.46 27.05 2jtf n ARG 49 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2jtf n TRP 50 N 1.71 -0.09 -0.32 -1.55 4.27 -0.98 -4.95 117.44 115.53 2jtf n TRP 50 Ca -0.20 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.56 2jtf n TRP 50 Cb 0.31 0.00 0.35 0.00 -1.36 0.00 0.00 31.31 30.60 2jtf n TRP 50 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 2jtf h SER 51 N 0.00 0.48 -2.62 -0.67 0.02 -1.98 -3.01 113.55 105.77 2jtf h SER 51 Ca 0.00 0.15 -0.71 0.00 -0.84 0.00 0.00 61.79 60.38 2jtf h SER 51 Cb 0.00 0.09 -0.34 0.00 0.14 0.00 0.00 62.40 62.29 2jtf h SER 51 CO 0.00 0.04 0.15 1.57 -1.14 0.00 0.00 176.83 177.45 2jtf n HIS 52 N -4.98 2.95 0.00 3.45 -0.00 -1.26 -4.95 115.22 110.44 2jtf n HIS 52 Ca 0.24 -3.33 0.00 0.00 -0.00 0.00 0.00 57.72 54.63 2jtf n HIS 52 Cb 0.70 -0.95 0.00 0.00 -0.00 0.00 0.00 29.99 29.75 2jtf n HIS 52 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2jtf n ARG 53 N 1.15 0.00 0.00 1.57 0.63 -1.14 -3.44 116.66 115.43 2jtf n ARG 53 Ca 0.28 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 2jtf n ARG 53 Cb 0.37 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.28 2jtf n ARG 53 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 2jtf n TYR 54 N 0.00 -0.18 -3.45 -0.14 4.11 -1.26 -2.32 117.16 113.92 2jtf n TYR 54 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.59 2jtf n TYR 54 Cb 0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 39.34 39.33 2jtf n TYR 54 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 2jtf s ASP 55 N -1.18 6.55 -0.12 9.48 -4.77 -1.22 0.28 116.67 125.69 2jtf s ASP 55 Ca 0.00 0.80 -0.30 0.00 -3.30 0.00 0.00 52.55 49.75 2jtf s ASP 55 Cb 0.00 -2.18 0.10 0.00 -1.09 0.00 0.00 42.92 39.75 2jtf s ASP 55 CO 0.00 -0.08 0.83 -0.70 0.70 0.00 0.00 175.17 175.93 2jtf s GLU 56 N -2.97 0.82 -0.29 2.11 2.56 0.03 -4.87 118.70 116.09 2jtf s GLU 56 Ca 0.45 0.28 -0.15 0.00 0.00 0.00 0.00 54.97 55.54 2jtf s GLU 56 Cb -0.11 0.39 -0.03 0.00 2.00 0.00 0.00 34.13 36.38 2jtf s GLU 56 CO 0.24 -0.24 0.39 -1.58 -0.56 0.00 0.00 175.26 173.51 2jtf s TRP 57 N -0.98 3.23 0.27 5.30 0.52 -1.26 -0.05 118.94 125.97 2jtf s TRP 57 Ca -0.06 0.33 0.02 0.00 0.02 0.00 0.00 56.10 56.42 2jtf s TRP 57 Cb -0.01 -2.63 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 2jtf s TRP 57 CO 0.05 -0.29 0.16 0.42 0.02 0.00 0.00 176.95 177.31 2jtf s ILE 58 N 2.11 0.20 0.00 2.03 1.01 -0.57 -4.93 121.20 121.04 2jtf s ILE 58 Ca 0.15 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.80 2jtf s ILE 58 Cb -0.16 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2jtf s ILE 58 CO 0.10 0.00 0.00 -1.22 0.00 0.00 0.00 174.94 173.82 2jtf n TYR 59 N -0.48 -2.78 0.00 3.97 4.02 -1.26 0.11 117.16 120.75 2jtf n TYR 59 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2jtf n TYR 59 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.97 2jtf n TYR 59 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2jtf n TRP 60 N -1.20 0.00 -1.40 -0.72 7.02 -1.24 -4.66 117.44 115.23 2jtf n TRP 60 Ca 0.00 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.07 2jtf n TRP 60 Cb 0.00 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.84 2jtf n TRP 60 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2jtf n ASP 61 N 0.00 2.79 -0.00 -0.99 5.75 -1.25 -4.12 116.55 118.74 2jtf n ASP 61 Ca 0.00 -2.70 0.03 0.00 -0.01 0.00 0.00 54.79 52.10 2jtf n ASP 61 Cb 0.00 -1.29 -0.04 0.00 -1.03 0.00 0.00 41.12 38.77 2jtf n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2jtf n SER 62 N 8.67 2.56 0.06 -1.12 7.64 -1.26 -4.97 113.62 125.20 2jtf n SER 62 Ca 0.49 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2jtf n SER 62 Cb 0.42 1.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.78 2jtf n SER 62 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2jtf n ASN 63 N -1.50 -1.09 -0.42 6.43 0.23 -1.26 -5.01 115.26 112.64 2jtf n ASN 63 Ca -0.00 0.32 0.02 0.00 -0.53 0.00 0.00 54.58 54.38 2jtf n ASN 63 Cb 0.12 1.27 0.02 0.00 -2.08 0.00 0.00 39.78 39.11 2jtf n ASN 63 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jtf n ARG 64 N -2.71 0.21 -4.44 -3.83 0.63 -1.26 -5.03 116.66 100.23 2jtf n ARG 64 Ca 0.00 -1.24 -0.23 0.00 -0.92 0.00 0.00 57.85 55.46 2jtf n ARG 64 Cb 0.00 -0.66 -0.13 0.00 0.45 0.00 0.00 32.46 32.12 2jtf n ARG 64 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jtf s LEU 65 N -0.45 2.20 -0.11 6.15 2.01 -1.26 0.03 118.68 127.24 2jtf s LEU 65 Ca 0.05 -0.53 0.00 0.00 0.01 0.00 0.00 54.13 53.66 2jtf s LEU 65 Cb 0.04 -0.79 0.02 0.00 0.01 0.00 0.00 46.19 45.48 2jtf s LEU 65 CO 0.00 0.08 -0.10 -0.60 1.01 0.00 0.00 176.35 176.74 2jtf s ARG 66 N -1.32 1.71 0.55 1.70 6.06 0.23 -3.80 118.95 124.08 2jtf s ARG 66 Ca 0.04 -0.34 -0.09 0.00 -2.50 0.00 0.00 55.73 52.84 2jtf s ARG 66 Cb -0.09 -1.65 0.13 0.00 0.06 0.00 0.00 34.95 33.40 2jtf s ARG 66 CO 0.02 -0.20 0.66 -0.35 -2.50 0.00 0.00 175.30 172.93 2jtf n PRO 67 N 4.68 -1.07 -2.43 5.12 -0.04 -1.26 -1.60 135.00 138.40 2jtf n PRO 67 Ca -0.15 -1.03 -0.38 0.00 -0.04 0.00 0.00 63.50 61.90 2jtf n PRO 67 Cb 0.50 -0.75 -0.03 0.00 -0.04 0.00 0.00 33.50 33.18 2jtf n PRO 67 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jtf s LEU 68 N 0.00 3.49 0.00 1.53 1.43 -1.16 -3.64 118.68 120.33 2jtf s LEU 68 Ca 0.39 -1.62 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 2jtf s LEU 68 Cb -0.02 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.63 2jtf s LEU 68 CO 0.28 -1.78 0.00 -1.84 0.23 0.00 0.00 176.35 173.24 2jtf n GLU 69 N 8.69 0.00 -0.91 1.70 0.28 -1.23 -4.95 120.64 124.22 2jtf n GLU 69 Ca 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 2jtf n GLU 69 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 2jtf n GLU 69 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84